NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
24681 | 2k43 | 15783 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 TYR 1 H1 TYR 1 17.009 -9.345 8.935 2 H2 TYR 1 H2 TYR 1 18.577 -8.829 8.568 3 H3 TYR 1 H3 TYR 1 17.328 -8.610 7.445 4 HA TYR 1 HA TYR 1 17.515 -7.315 10.095 5 HB2 TYR 1 HB2 TYR 1 19.009 -6.597 8.027 6 HB3 TYR 1 HB3 TYR 1 17.492 -5.896 7.448 7 HD1 TYR 1 HD1 TYR 1 16.553 -5.125 10.351 8 HD2 TYR 1 HD2 TYR 1 20.137 -4.485 8.154 9 HE1 TYR 1 HE1 TYR 1 16.990 -3.092 11.664 10 HE2 TYR 1 HE2 TYR 1 20.584 -2.455 9.461 11 HH TYR 1 HH TYR 1 18.845 -1.666 12.297 12 H LYS 2 H LYS 2 15.354 -7.504 10.786 13 HA LYS 2 HA LYS 2 13.217 -7.178 8.890 14 HB2 LYS 2 HB2 LYS 2 12.807 -8.483 10.898 15 HB3 LYS 2 HB3 LYS 2 13.224 -7.112 11.919 16 HG2 LYS 2 HG2 LYS 2 11.279 -5.891 11.041 17 HG3 LYS 2 HG3 LYS 2 10.852 -7.300 10.071 18 HD2 LYS 2 HD2 LYS 2 11.089 -7.315 13.077 19 HD3 LYS 2 HD3 LYS 2 9.571 -7.095 12.205 20 HE2 LYS 2 HE2 LYS 2 11.386 -9.496 12.014 21 HE3 LYS 2 HE3 LYS 2 9.882 -9.416 12.932 22 HZ1 LYS 2 HZ1 LYS 2 8.681 -9.037 10.871 23 HZ2 LYS 2 HZ2 LYS 2 9.565 -10.483 10.790 24 HZ3 LYS 2 HZ3 LYS 2 10.125 -9.106 9.991 25 H LYS 3 H LYS 3 12.149 -5.381 8.345 26 HA LYS 3 HA LYS 3 12.293 -2.917 9.777 27 HB2 LYS 3 HB2 LYS 3 14.024 -3.365 7.373 28 HB3 LYS 3 HB3 LYS 3 13.277 -1.790 7.582 29 HG2 LYS 3 HG2 LYS 3 14.318 -1.731 9.876 30 HG3 LYS 3 HG3 LYS 3 15.232 -3.163 9.402 31 HD2 LYS 3 HD2 LYS 3 16.560 -1.157 9.064 32 HD3 LYS 3 HD3 LYS 3 16.186 -1.914 7.514 33 HE2 LYS 3 HE2 LYS 3 14.491 -0.299 7.051 34 HE3 LYS 3 HE3 LYS 3 14.591 0.358 8.684 35 HZ1 LYS 3 HZ1 LYS 3 16.736 1.234 8.238 36 HZ2 LYS 3 HZ2 LYS 3 15.735 1.700 6.948 37 HZ3 LYS 3 HZ3 LYS 3 16.839 0.431 6.748 38 HA PRO 4 HA PRO 4 8.795 -1.337 7.297 39 HB2 PRO 4 HB2 PRO 4 10.378 -0.189 5.167 40 HB3 PRO 4 HB3 PRO 4 9.436 0.635 6.410 41 HG2 PRO 4 HG2 PRO 4 12.321 -0.028 6.364 42 HG3 PRO 4 HG3 PRO 4 11.475 1.271 7.228 43 HD2 PRO 4 HD2 PRO 4 12.434 -0.807 8.564 44 HD3 PRO 4 HD3 PRO 4 10.827 -0.155 8.968 45 H LYS 5 H LYS 5 7.591 -2.385 5.937 46 HA LYS 5 HA LYS 5 8.697 -4.470 4.292 47 HB2 LYS 5 HB2 LYS 5 6.465 -5.253 4.013 48 HB3 LYS 5 HB3 LYS 5 6.640 -4.770 5.692 49 HG2 LYS 5 HG2 LYS 5 4.667 -3.767 5.341 50 HG3 LYS 5 HG3 LYS 5 5.657 -2.489 4.634 51 HD2 LYS 5 HD2 LYS 5 5.303 -3.374 2.418 52 HD3 LYS 5 HD3 LYS 5 4.453 -4.774 3.072 53 HE2 LYS 5 HE2 LYS 5 2.722 -3.250 3.972 54 HE3 LYS 5 HE3 LYS 5 3.553 -1.898 3.204 55 HZ1 LYS 5 HZ1 LYS 5 1.679 -2.744 1.888 56 HZ2 LYS 5 HZ2 LYS 5 2.448 -4.245 1.758 57 HZ3 LYS 5 HZ3 LYS 5 3.150 -2.874 1.059 58 H LEU 6 H LEU 6 7.773 -4.821 2.140 59 HA LEU 6 HA LEU 6 8.055 -2.381 0.537 60 HB2 LEU 6 HB2 LEU 6 9.795 -3.871 0.031 61 HB3 LEU 6 HB3 LEU 6 8.735 -5.263 0.064 62 HG LEU 6 HG LEU 6 8.154 -3.267 -2.041 63 HD11 LEU 6 HD11 LEU 6 10.575 -3.255 -2.063 64 HD12 LEU 6 HD12 LEU 6 10.590 -5.018 -2.108 65 HD13 LEU 6 HD13 LEU 6 9.932 -4.109 -3.465 66 HD21 LEU 6 HD21 LEU 6 7.830 -5.284 -3.378 67 HD22 LEU 6 HD22 LEU 6 8.432 -6.275 -2.047 68 HD23 LEU 6 HD23 LEU 6 6.921 -5.381 -1.869 69 H LEU 7 H LEU 7 6.752 -2.064 -1.307 70 HA LEU 7 HA LEU 7 4.092 -3.270 -1.080 71 HB2 LEU 7 HB2 LEU 7 4.559 -0.755 -1.332 72 HB3 LEU 7 HB3 LEU 7 4.971 -1.109 -2.995 73 HG LEU 7 HG LEU 7 2.688 -0.224 -2.723 74 HD11 LEU 7 HD11 LEU 7 1.499 -1.869 -4.076 75 HD12 LEU 7 HD12 LEU 7 3.135 -1.573 -4.663 76 HD13 LEU 7 HD13 LEU 7 2.777 -3.044 -3.753 77 HD21 LEU 7 HD21 LEU 7 0.955 -1.623 -1.706 78 HD22 LEU 7 HD22 LEU 7 2.189 -2.784 -1.215 79 HD23 LEU 7 HD23 LEU 7 2.188 -1.156 -0.537 80 H TYR 8 H TYR 8 4.621 -5.275 -1.806 81 HA TYR 8 HA TYR 8 5.153 -5.671 -4.617 82 HB2 TYR 8 HB2 TYR 8 5.634 -7.220 -2.482 83 HB3 TYR 8 HB3 TYR 8 4.056 -7.858 -2.922 84 HD1 TYR 8 HD1 TYR 8 3.743 -8.812 -5.253 85 HD2 TYR 8 HD2 TYR 8 7.564 -7.816 -3.668 86 HE1 TYR 8 HE1 TYR 8 4.814 -10.238 -6.947 87 HE2 TYR 8 HE2 TYR 8 8.644 -9.236 -5.358 88 HH TYR 8 HH TYR 8 7.934 -11.290 -6.757 89 H CYS 9 H CYS 9 3.726 -5.702 -6.097 90 HA CYS 9 HA CYS 9 0.904 -6.297 -5.635 91 HB2 CYS 9 HB2 CYS 9 1.138 -3.902 -6.145 92 HB3 CYS 9 HB3 CYS 9 2.021 -4.297 -7.613 93 HG CYS 9 HG CYS 9 -1.299 -4.460 -6.999 94 H SER 10 H SER 10 -0.093 -7.286 -7.701 95 HA SER 10 HA SER 10 1.603 -9.537 -8.156 96 HB2 SER 10 HB2 SER 10 -1.109 -8.840 -9.331 97 HB3 SER 10 HB3 SER 10 -0.311 -10.406 -9.489 98 HG SER 10 HG SER 10 -1.277 -9.163 -7.125 99 H ASN 11 H ASN 11 1.862 -10.290 -10.711 100 HA ASN 11 HA ASN 11 4.073 -8.502 -10.501 101 HB2 ASN 11 HB2 ASN 11 3.814 -10.909 -12.289 102 HB3 ASN 11 HB3 ASN 11 5.304 -10.105 -11.810 103 HD21 ASN 11 HD21 ASN 11 2.890 -12.373 -10.962 104 HD22 ASN 11 HD22 ASN 11 3.570 -12.860 -9.446 105 H GLY 12 H GLY 12 3.979 -6.667 -11.447 106 HA2 GLY 12 HA3 GLY 12 4.452 -6.833 -14.361 107 HA3 GLY 12 HA2 GLY 12 3.723 -5.408 -13.616 108 H GLY 13 H GLY 13 5.971 -7.093 -11.772 109 HA2 GLY 13 HA3 GLY 13 7.850 -6.406 -10.661 110 HA3 GLY 13 HA2 GLY 13 8.488 -6.279 -12.289 111 H HIS 14 H HIS 14 6.699 -4.527 -9.865 112 HA HIS 14 HA HIS 14 8.379 -2.205 -10.302 113 HB2 HIS 14 HB2 HIS 14 5.397 -2.253 -10.331 114 HB3 HIS 14 HB3 HIS 14 6.188 -0.900 -9.531 115 HD1 HIS 14 HD1 HIS 14 4.739 0.176 -11.711 116 HD2 HIS 14 HD2 HIS 14 8.406 -1.643 -12.419 117 HE1 HIS 14 HE1 HIS 14 5.482 1.008 -13.963 118 HE2 HIS 14 HE2 HIS 14 7.736 -0.049 -14.352 119 H PHE 15 H PHE 15 8.229 -0.771 -8.271 120 HA PHE 15 HA PHE 15 7.341 -2.177 -5.898 121 HB2 PHE 15 HB2 PHE 15 10.053 -0.824 -6.126 122 HB3 PHE 15 HB3 PHE 15 9.383 -1.560 -4.673 123 HD1 PHE 15 HD2 PHE 15 8.759 -4.088 -4.885 124 HD2 PHE 15 HD1 PHE 15 11.465 -2.064 -7.467 125 HE1 PHE 15 HE2 PHE 15 9.759 -6.244 -5.520 126 HE2 PHE 15 HE1 PHE 15 12.465 -4.214 -8.112 127 HZ PHE 15 HZ PHE 15 11.614 -6.308 -7.137 128 H LEU 16 H LEU 16 6.289 -0.724 -4.509 129 HA LEU 16 HA LEU 16 5.735 1.788 -5.845 130 HB2 LEU 16 HB2 LEU 16 4.085 0.090 -4.888 131 HB3 LEU 16 HB3 LEU 16 4.512 0.732 -3.318 132 HG LEU 16 HG LEU 16 3.817 2.927 -4.962 133 HD11 LEU 16 HD11 LEU 16 1.512 2.338 -5.536 134 HD12 LEU 16 HD12 LEU 16 2.666 1.327 -6.407 135 HD13 LEU 16 HD13 LEU 16 1.802 0.678 -5.011 136 HD21 LEU 16 HD21 LEU 16 2.042 3.142 -3.271 137 HD22 LEU 16 HD22 LEU 16 2.452 1.536 -2.667 138 HD23 LEU 16 HD23 LEU 16 3.634 2.844 -2.569 139 H ARG 17 H ARG 17 6.542 3.709 -5.292 140 HA ARG 17 HA ARG 17 8.025 3.980 -2.769 141 HB2 ARG 17 HB2 ARG 17 10.018 4.748 -3.874 142 HB3 ARG 17 HB3 ARG 17 9.612 3.161 -4.503 143 HG2 ARG 17 HG2 ARG 17 8.699 4.174 -6.516 144 HG3 ARG 17 HG3 ARG 17 9.067 5.782 -5.883 145 HD2 ARG 17 HD2 ARG 17 11.468 5.067 -5.734 146 HD3 ARG 17 HD3 ARG 17 11.018 3.597 -6.594 147 HE ARG 17 HE ARG 17 10.111 5.645 -8.175 148 HH11 ARG 17 HH12 ARG 17 13.215 4.675 -6.856 149 HH12 ARG 17 HH11 ARG 17 14.129 5.360 -8.172 150 HH21 ARG 17 HH22 ARG 17 11.307 6.575 -9.886 151 HH22 ARG 17 HH21 ARG 17 13.047 6.477 -9.865 152 H ILE 18 H ILE 18 8.437 6.287 -2.248 153 HA ILE 18 HA ILE 18 6.235 7.838 -3.319 154 HB ILE 18 HB ILE 18 6.387 9.252 -1.473 155 HG12 ILE 18 HG12 ILE 18 9.024 8.040 -0.648 156 HG13 ILE 18 HG13 ILE 18 8.907 9.507 -1.615 157 HG21 ILE 18 HG21 ILE 18 5.502 7.065 -0.915 158 HG22 ILE 18 HG22 ILE 18 7.124 6.490 -0.528 159 HG23 ILE 18 HG23 ILE 18 6.373 7.742 0.462 160 HD11 ILE 18 HD11 ILE 18 9.252 10.030 0.726 161 HD12 ILE 18 HD12 ILE 18 7.668 10.591 0.191 162 HD13 ILE 18 HD13 ILE 18 7.801 9.122 1.159 163 H LEU 19 H LEU 19 6.369 9.704 -4.288 164 HA LEU 19 HA LEU 19 9.006 10.915 -4.785 165 HB2 LEU 19 HB2 LEU 19 6.588 10.863 -6.613 166 HB3 LEU 19 HB3 LEU 19 8.071 11.740 -6.929 167 HG LEU 19 HG LEU 19 7.843 8.734 -6.735 168 HD11 LEU 19 HD11 LEU 19 6.729 9.612 -8.716 169 HD12 LEU 19 HD12 LEU 19 8.173 10.535 -9.130 170 HD13 LEU 19 HD13 LEU 19 8.217 8.772 -9.151 171 HD21 LEU 19 HD21 LEU 19 10.032 9.559 -6.040 172 HD22 LEU 19 HD22 LEU 19 10.133 8.744 -7.602 173 HD23 LEU 19 HD23 LEU 19 10.155 10.505 -7.524 174 HA PRO 20 HA PRO 20 7.217 14.474 -2.849 175 HB2 PRO 20 HB2 PRO 20 8.696 16.220 -4.657 176 HB3 PRO 20 HB3 PRO 20 8.944 15.960 -2.926 177 HG2 PRO 20 HG2 PRO 20 10.717 15.097 -4.751 178 HG3 PRO 20 HG3 PRO 20 10.372 14.166 -3.280 179 HD2 PRO 20 HD2 PRO 20 9.315 13.764 -6.063 180 HD3 PRO 20 HD3 PRO 20 9.948 12.557 -4.918 181 H ASP 21 H ASP 21 6.347 13.558 -5.750 182 HA ASP 21 HA ASP 21 5.055 16.016 -6.661 183 HB2 ASP 21 HB2 ASP 21 5.317 13.294 -7.950 184 HB3 ASP 21 HB3 ASP 21 4.463 14.652 -8.674 185 H GLY 22 H GLY 22 4.300 13.840 -4.440 186 HA2 GLY 22 HA3 GLY 22 2.216 13.737 -3.357 187 HA3 GLY 22 HA2 GLY 22 1.442 14.276 -4.840 188 H THR 23 H THR 23 3.735 11.583 -4.661 189 HA THR 23 HA THR 23 1.550 9.723 -5.136 190 HB THR 23 HB THR 23 4.001 9.227 -6.602 191 HG1 THR 23 HG1 THR 23 2.549 11.627 -6.971 192 HG21 THR 23 HG21 THR 23 1.091 9.372 -7.388 193 HG22 THR 23 HG22 THR 23 1.976 7.924 -6.913 194 HG23 THR 23 HG23 THR 23 2.385 8.755 -8.414 195 H VAL 24 H VAL 24 1.867 7.821 -4.039 196 HA VAL 24 HA VAL 24 4.648 6.874 -4.155 197 HB VAL 24 HB VAL 24 3.740 6.955 -1.806 198 HG11 VAL 24 HG11 VAL 24 2.148 5.128 -1.192 199 HG12 VAL 24 HG12 VAL 24 1.456 6.448 -2.143 200 HG13 VAL 24 HG13 VAL 24 1.858 4.919 -2.925 201 HG21 VAL 24 HG21 VAL 24 5.558 5.449 -2.379 202 HG22 VAL 24 HG22 VAL 24 4.489 4.711 -1.185 203 HG23 VAL 24 HG23 VAL 24 4.398 4.215 -2.876 204 H ASP 25 H ASP 25 4.729 5.866 -6.017 205 HA ASP 25 HA ASP 25 2.726 3.817 -6.639 206 HB2 ASP 25 HB2 ASP 25 2.685 4.427 -8.991 207 HB3 ASP 25 HB3 ASP 25 2.245 5.832 -8.026 208 H GLY 26 H GLY 26 3.501 2.279 -8.388 209 HA2 GLY 26 HA3 GLY 26 6.137 1.495 -7.493 210 HA3 GLY 26 HA2 GLY 26 5.083 0.553 -8.507 211 H THR 27 H THR 27 7.845 1.411 -8.430 212 HA THR 27 HA THR 27 8.307 1.601 -11.284 213 HB THR 27 HB THR 27 9.526 3.420 -9.189 214 HG1 THR 27 HG1 THR 27 7.585 3.821 -10.870 215 HG21 THR 27 HG21 THR 27 11.318 2.431 -10.497 216 HG22 THR 27 HG22 THR 27 11.137 4.148 -10.878 217 HG23 THR 27 HG23 THR 27 10.519 2.926 -11.990 218 H ARG 28 H ARG 28 10.388 0.222 -11.714 219 HA ARG 28 HA ARG 28 10.655 -1.300 -9.239 220 HB2 ARG 28 HB2 ARG 28 11.909 -2.940 -10.475 221 HB3 ARG 28 HB3 ARG 28 10.486 -2.509 -11.405 222 HG2 ARG 28 HG2 ARG 28 11.977 -0.969 -12.735 223 HG3 ARG 28 HG3 ARG 28 13.339 -1.743 -11.922 224 HD2 ARG 28 HD2 ARG 28 11.391 -2.889 -13.876 225 HD3 ARG 28 HD3 ARG 28 13.151 -2.975 -13.873 226 HE ARG 28 HE ARG 28 11.389 -4.526 -12.079 227 HH11 ARG 28 HH12 ARG 28 14.428 -4.091 -13.748 228 HH12 ARG 28 HH11 ARG 28 14.984 -5.709 -13.446 229 HH21 ARG 28 HH22 ARG 28 12.104 -6.665 -11.675 230 HH22 ARG 28 HH21 ARG 28 13.649 -7.179 -12.276 231 H ASP 29 H ASP 29 11.701 -0.354 -7.838 232 HA ASP 29 HA ASP 29 14.541 0.184 -8.213 233 HB2 ASP 29 HB2 ASP 29 13.609 2.371 -8.453 234 HB3 ASP 29 HB3 ASP 29 12.504 2.121 -7.108 235 H ARG 30 H ARG 30 15.434 -1.248 -6.772 236 HA ARG 30 HA ARG 30 14.688 -0.628 -3.999 237 HB2 ARG 30 HB2 ARG 30 16.128 -3.153 -4.204 238 HB3 ARG 30 HB3 ARG 30 14.691 -2.746 -3.278 239 HG2 ARG 30 HG2 ARG 30 14.046 -4.492 -4.688 240 HG3 ARG 30 HG3 ARG 30 13.399 -3.037 -5.446 241 HD2 ARG 30 HD2 ARG 30 14.467 -4.642 -7.034 242 HD3 ARG 30 HD3 ARG 30 15.149 -3.018 -7.071 243 HE ARG 30 HE ARG 30 16.614 -4.663 -5.281 244 HH11 ARG 30 HH12 ARG 30 16.049 -4.208 -8.708 245 HH12 ARG 30 HH11 ARG 30 17.660 -4.682 -9.161 246 HH21 ARG 30 HH22 ARG 30 18.721 -5.304 -5.881 247 HH22 ARG 30 HH21 ARG 30 19.177 -5.299 -7.557 248 H SER 31 H SER 31 16.486 0.336 -6.134 249 HA SER 31 HA SER 31 19.151 -0.339 -5.276 250 HB2 SER 31 HB2 SER 31 18.250 1.750 -7.271 251 HB3 SER 31 HB3 SER 31 19.867 1.065 -7.111 252 HG SER 31 HG SER 31 18.426 0.174 -8.813 253 H ASP 32 H ASP 32 16.762 2.168 -4.762 254 HA ASP 32 HA ASP 32 18.713 3.496 -3.021 255 HB2 ASP 32 HB2 ASP 32 17.806 4.830 -5.054 256 HB3 ASP 32 HB3 ASP 32 16.272 4.840 -4.190 257 H GLN 33 H GLN 33 17.097 4.850 -1.441 258 HA GLN 33 HA GLN 33 15.442 2.731 -0.281 259 HB2 GLN 33 HB2 GLN 33 17.165 4.850 0.833 260 HB3 GLN 33 HB3 GLN 33 15.835 4.245 1.825 261 HG2 GLN 33 HG2 GLN 33 16.917 1.926 1.092 262 HG3 GLN 33 HG3 GLN 33 18.350 2.939 0.953 263 HE21 GLN 33 HE21 GLN 33 17.833 0.783 2.781 264 HE22 GLN 33 HE22 GLN 33 17.964 1.435 4.378 265 H HIS 34 H HIS 34 13.817 3.636 -1.928 266 HA HIS 34 HA HIS 34 12.333 5.816 -0.611 267 HB2 HIS 34 HB2 HIS 34 12.263 4.901 -3.496 268 HB3 HIS 34 HB3 HIS 34 11.122 6.046 -2.808 269 HD1 HIS 34 HD1 HIS 34 11.875 8.464 -2.593 270 HD2 HIS 34 HD2 HIS 34 14.917 5.896 -3.790 271 HE1 HIS 34 HE1 HIS 34 13.780 9.947 -3.284 272 HE2 HIS 34 HE2 HIS 34 15.556 8.381 -4.145 273 H ILE 35 H ILE 35 12.453 2.528 -1.271 274 HA ILE 35 HA ILE 35 9.593 2.168 -1.523 275 HB ILE 35 HB ILE 35 10.172 -0.187 -2.006 276 HG12 ILE 35 HG12 ILE 35 12.778 -0.369 -2.562 277 HG13 ILE 35 HG13 ILE 35 12.896 0.786 -1.242 278 HG21 ILE 35 HG21 ILE 35 11.101 0.246 -4.167 279 HG22 ILE 35 HG22 ILE 35 10.070 1.611 -3.739 280 HG23 ILE 35 HG23 ILE 35 11.828 1.756 -3.613 281 HD11 ILE 35 HD11 ILE 35 11.641 -1.943 -1.091 282 HD12 ILE 35 HD12 ILE 35 13.229 -1.488 -0.475 283 HD13 ILE 35 HD13 ILE 35 11.776 -0.790 0.239 284 H GLN 36 H GLN 36 10.945 2.832 1.250 285 HA GLN 36 HA GLN 36 10.214 0.272 2.511 286 HB2 GLN 36 HB2 GLN 36 11.825 0.503 4.151 287 HB3 GLN 36 HB3 GLN 36 12.625 1.150 2.732 288 HG2 GLN 36 HG2 GLN 36 11.227 2.993 4.635 289 HG3 GLN 36 HG3 GLN 36 12.834 2.357 5.019 290 HE21 GLN 36 HE21 GLN 36 13.551 2.361 2.132 291 HE22 GLN 36 HE22 GLN 36 13.866 4.021 1.762 292 H LEU 37 H LEU 37 8.172 0.385 3.086 293 HA LEU 37 HA LEU 37 7.396 2.693 4.731 294 HB2 LEU 37 HB2 LEU 37 5.012 1.810 4.253 295 HB3 LEU 37 HB3 LEU 37 5.852 2.811 3.094 296 HG LEU 37 HG LEU 37 5.910 -0.188 2.839 297 HD11 LEU 37 HD11 LEU 37 3.930 -0.053 1.406 298 HD12 LEU 37 HD12 LEU 37 3.557 0.426 3.062 299 HD13 LEU 37 HD13 LEU 37 3.751 1.655 1.811 300 HD21 LEU 37 HD21 LEU 37 7.414 1.129 1.423 301 HD22 LEU 37 HD22 LEU 37 6.161 0.341 0.462 302 HD23 LEU 37 HD23 LEU 37 6.041 2.062 0.828 303 H GLN 38 H GLN 38 6.421 2.398 6.645 304 HA GLN 38 HA GLN 38 7.117 -0.195 7.793 305 HB2 GLN 38 HB2 GLN 38 7.908 2.135 8.678 306 HB3 GLN 38 HB3 GLN 38 6.276 2.243 9.346 307 HG2 GLN 38 HG2 GLN 38 6.630 0.248 10.656 308 HG3 GLN 38 HG3 GLN 38 8.214 0.020 9.917 309 HE21 GLN 38 HE21 GLN 38 9.923 1.296 10.549 310 HE22 GLN 38 HE22 GLN 38 9.873 2.297 11.955 311 H LEU 39 H LEU 39 5.500 -1.592 7.709 312 HA LEU 39 HA LEU 39 2.759 -0.564 7.933 313 HB2 LEU 39 HB2 LEU 39 3.385 -1.316 5.665 314 HB3 LEU 39 HB3 LEU 39 3.764 -2.907 6.287 315 HG LEU 39 HG LEU 39 1.554 -2.637 5.060 316 HD11 LEU 39 HD11 LEU 39 0.310 -4.090 6.572 317 HD12 LEU 39 HD12 LEU 39 1.997 -4.587 6.435 318 HD13 LEU 39 HD13 LEU 39 1.446 -3.717 7.868 319 HD21 LEU 39 HD21 LEU 39 -0.329 -1.759 6.337 320 HD22 LEU 39 HD22 LEU 39 0.778 -1.239 7.608 321 HD23 LEU 39 HD23 LEU 39 0.874 -0.514 6.004 322 H SER 40 H SER 40 2.293 -0.953 9.969 323 HA SER 40 HA SER 40 2.500 -3.725 10.932 324 HB2 SER 40 HB2 SER 40 2.060 -1.199 12.552 325 HB3 SER 40 HB3 SER 40 2.297 -2.826 13.191 326 HG SER 40 HG SER 40 4.303 -2.194 11.518 327 H ALA 41 H ALA 41 0.589 -4.368 12.328 328 HA ALA 41 HA ALA 41 -1.890 -3.051 11.419 329 HB1 ALA 41 HB1 ALA 41 -1.836 -5.440 10.851 330 HB2 ALA 41 HB2 ALA 41 -1.495 -5.843 12.534 331 HB3 ALA 41 HB3 ALA 41 -3.048 -5.131 12.095 332 H GLU 42 H GLU 42 -2.355 -1.549 12.899 333 HA GLU 42 HA GLU 42 -0.964 -1.780 15.447 334 HB2 GLU 42 HB2 GLU 42 -0.799 0.198 13.802 335 HB3 GLU 42 HB3 GLU 42 -2.375 0.670 14.424 336 HG2 GLU 42 HG2 GLU 42 -1.402 1.661 16.144 337 HG3 GLU 42 HG3 GLU 42 -0.670 0.132 16.629 338 H SER 43 H SER 43 -4.174 -1.050 14.160 339 HA SER 43 HA SER 43 -5.262 -1.607 16.837 340 HB2 SER 43 HB2 SER 43 -6.594 -0.164 14.531 341 HB3 SER 43 HB3 SER 43 -7.247 -0.366 16.159 342 HG SER 43 HG SER 43 -5.347 1.401 15.205 343 H VAL 44 H VAL 44 -7.540 -2.675 16.619 344 HA VAL 44 HA VAL 44 -7.111 -5.185 15.415 345 HB VAL 44 HB VAL 44 -9.767 -4.007 16.248 346 HG11 VAL 44 HG11 VAL 44 -9.991 -5.984 14.850 347 HG12 VAL 44 HG12 VAL 44 -8.879 -6.869 15.895 348 HG13 VAL 44 HG13 VAL 44 -10.449 -6.351 16.514 349 HG21 VAL 44 HG21 VAL 44 -9.403 -5.137 18.392 350 HG22 VAL 44 HG22 VAL 44 -7.793 -5.623 17.862 351 HG23 VAL 44 HG23 VAL 44 -8.170 -3.915 18.089 352 H GLY 45 H GLY 45 -7.038 -5.537 13.302 353 HA2 GLY 45 HA3 GLY 45 -8.094 -5.959 11.261 354 HA3 GLY 45 HA2 GLY 45 -9.365 -4.834 11.711 355 H GLU 46 H GLU 46 -7.018 -2.918 12.453 356 HA GLU 46 HA GLU 46 -6.867 -1.870 9.747 357 HB2 GLU 46 HB2 GLU 46 -5.793 -0.094 11.762 358 HB3 GLU 46 HB3 GLU 46 -7.023 0.198 10.544 359 HG2 GLU 46 HG2 GLU 46 -8.639 -0.992 12.042 360 HG3 GLU 46 HG3 GLU 46 -7.370 -0.975 13.267 361 H VAL 47 H VAL 47 -5.132 -1.547 8.657 362 HA VAL 47 HA VAL 47 -2.547 -2.092 9.931 363 HB VAL 47 HB VAL 47 -1.641 -2.337 7.619 364 HG11 VAL 47 HG11 VAL 47 -3.776 -4.292 8.463 365 HG12 VAL 47 HG12 VAL 47 -2.477 -4.628 7.317 366 HG13 VAL 47 HG13 VAL 47 -2.097 -4.272 9.002 367 HG21 VAL 47 HG21 VAL 47 -3.391 -1.191 6.376 368 HG22 VAL 47 HG22 VAL 47 -3.213 -2.848 5.799 369 HG23 VAL 47 HG23 VAL 47 -4.561 -2.421 6.853 370 H TYR 48 H TYR 48 -0.869 -0.655 9.626 371 HA TYR 48 HA TYR 48 -1.831 2.043 8.918 372 HB2 TYR 48 HB2 TYR 48 -1.511 1.527 11.392 373 HB3 TYR 48 HB3 TYR 48 0.204 1.367 11.053 374 HD1 TYR 48 HD1 TYR 48 -0.613 3.883 8.902 375 HD2 TYR 48 HD2 TYR 48 -0.407 3.167 13.089 376 HE1 TYR 48 HE1 TYR 48 -0.317 6.293 9.295 377 HE2 TYR 48 HE2 TYR 48 -0.111 5.573 13.490 378 HH TYR 48 HH TYR 48 -0.788 7.912 11.275 379 H ILE 49 H ILE 49 -0.797 2.891 7.318 380 HA ILE 49 HA ILE 49 1.836 1.904 6.536 381 HB ILE 49 HB ILE 49 -0.132 3.656 5.044 382 HG12 ILE 49 HG12 ILE 49 0.704 0.773 4.645 383 HG13 ILE 49 HG13 ILE 49 -0.862 1.330 5.227 384 HG21 ILE 49 HG21 ILE 49 1.371 3.387 3.117 385 HG22 ILE 49 HG22 ILE 49 2.160 4.229 4.452 386 HG23 ILE 49 HG23 ILE 49 2.522 2.530 4.143 387 HD11 ILE 49 HD11 ILE 49 0.283 1.840 2.491 388 HD12 ILE 49 HD12 ILE 49 -0.962 0.657 2.896 389 HD13 ILE 49 HD13 ILE 49 -1.291 2.380 3.073 390 H LYS 50 H LYS 50 3.321 2.922 7.673 391 HA LYS 50 HA LYS 50 3.196 5.858 7.747 392 HB2 LYS 50 HB2 LYS 50 4.430 5.767 9.886 393 HB3 LYS 50 HB3 LYS 50 2.865 4.976 9.993 394 HG2 LYS 50 HG2 LYS 50 4.024 2.794 9.695 395 HG3 LYS 50 HG3 LYS 50 5.559 3.658 9.780 396 HD2 LYS 50 HD2 LYS 50 5.083 2.758 11.950 397 HD3 LYS 50 HD3 LYS 50 4.885 4.509 12.023 398 HE2 LYS 50 HE2 LYS 50 2.478 4.274 11.874 399 HE3 LYS 50 HE3 LYS 50 2.634 2.530 11.674 400 HZ1 LYS 50 HZ1 LYS 50 2.039 3.131 13.951 401 HZ2 LYS 50 HZ2 LYS 50 3.455 4.061 14.087 402 HZ3 LYS 50 HZ3 LYS 50 3.559 2.379 13.892 403 H SER 51 H SER 51 5.226 6.935 7.531 404 HA SER 51 HA SER 51 6.949 5.596 5.674 405 HB2 SER 51 HB2 SER 51 7.515 8.281 6.886 406 HB3 SER 51 HB3 SER 51 7.817 7.725 5.243 407 HG SER 51 HG SER 51 5.193 7.648 5.686 408 H THR 52 H THR 52 8.852 4.680 6.134 409 HA THR 52 HA THR 52 10.050 5.120 8.705 410 HB THR 52 HB THR 52 11.379 4.070 6.198 411 HG1 THR 52 HG1 THR 52 9.376 3.043 7.759 412 HG21 THR 52 HG21 THR 52 12.789 2.856 7.797 413 HG22 THR 52 HG22 THR 52 11.910 3.598 9.134 414 HG23 THR 52 HG23 THR 52 12.888 4.596 8.060 415 H GLU 53 H GLU 53 12.155 5.595 5.991 416 HA GLU 53 HA GLU 53 12.335 8.410 6.775 417 HB2 GLU 53 HB2 GLU 53 14.423 7.092 6.485 418 HB3 GLU 53 HB3 GLU 53 14.030 6.898 4.782 419 HG2 GLU 53 HG2 GLU 53 14.362 9.172 4.332 420 HG3 GLU 53 HG3 GLU 53 14.315 9.604 6.040 421 H THR 54 H THR 54 11.858 6.462 3.849 422 HA THR 54 HA THR 54 10.442 8.727 2.630 423 HB THR 54 HB THR 54 10.917 7.628 0.446 424 HG1 THR 54 HG1 THR 54 13.038 6.207 1.251 425 HG21 THR 54 HG21 THR 54 13.264 8.330 0.351 426 HG22 THR 54 HG22 THR 54 13.325 8.368 2.113 427 HG23 THR 54 HG23 THR 54 12.287 9.497 1.243 428 H GLY 55 H GLY 55 9.000 6.681 4.389 429 HA2 GLY 55 HA3 GLY 55 8.487 4.581 2.449 430 HA3 GLY 55 HA2 GLY 55 8.110 4.513 4.152 431 H GLN 56 H GLN 56 6.411 6.981 4.066 432 HA GLN 56 HA GLN 56 5.203 7.665 1.835 433 HB2 GLN 56 HB2 GLN 56 4.408 5.493 1.238 434 HB3 GLN 56 HB3 GLN 56 3.652 5.274 2.812 435 HG2 GLN 56 HG2 GLN 56 2.057 5.810 1.017 436 HG3 GLN 56 HG3 GLN 56 2.041 6.960 2.350 437 HE21 GLN 56 HE21 GLN 56 1.000 7.525 -0.150 438 HE22 GLN 56 HE22 GLN 56 1.940 8.806 -0.829 439 H TYR 57 H TYR 57 3.924 9.287 2.092 440 HA TYR 57 HA TYR 57 2.774 9.746 4.755 441 HB2 TYR 57 HB2 TYR 57 3.607 11.720 2.611 442 HB3 TYR 57 HB3 TYR 57 2.945 12.131 4.182 443 HD1 TYR 57 HD2 TYR 57 5.880 10.715 2.452 444 HD2 TYR 57 HD1 TYR 57 4.330 12.176 6.135 445 HE1 TYR 57 HE2 TYR 57 8.151 10.746 3.387 446 HE2 TYR 57 HE1 TYR 57 6.600 12.211 7.078 447 HH TYR 57 HH TYR 57 9.382 11.936 5.188 448 H LEU 58 H LEU 58 1.185 8.238 3.789 449 HA LEU 58 HA LEU 58 -0.202 9.024 1.413 450 HB2 LEU 58 HB2 LEU 58 0.287 6.634 2.731 451 HB3 LEU 58 HB3 LEU 58 -1.446 6.865 2.886 452 HG LEU 58 HG LEU 58 -0.048 7.081 0.231 453 HD11 LEU 58 HD11 LEU 58 0.453 4.872 1.150 454 HD12 LEU 58 HD12 LEU 58 -1.259 4.611 1.488 455 HD13 LEU 58 HD13 LEU 58 -0.700 4.748 -0.179 456 HD21 LEU 58 HD21 LEU 58 -2.904 6.542 1.044 457 HD22 LEU 58 HD22 LEU 58 -2.276 8.006 0.294 458 HD23 LEU 58 HD23 LEU 58 -2.300 6.495 -0.612 459 H ALA 59 H ALA 59 -2.208 9.576 1.112 460 HA ALA 59 HA ALA 59 -4.047 9.994 3.323 461 HB1 ALA 59 HB1 ALA 59 -3.394 12.069 1.221 462 HB2 ALA 59 HB2 ALA 59 -4.660 12.205 2.443 463 HB3 ALA 59 HB3 ALA 59 -2.965 12.157 2.929 464 H MET 60 H MET 60 -5.861 8.901 2.799 465 HA MET 60 HA MET 60 -6.430 8.197 0.052 466 HB2 MET 60 HB2 MET 60 -6.795 6.522 1.768 467 HB3 MET 60 HB3 MET 60 -7.821 7.619 2.677 468 HG2 MET 60 HG2 MET 60 -9.201 6.023 1.563 469 HG3 MET 60 HG3 MET 60 -9.443 7.605 0.823 470 HE1 MET 60 HE1 MET 60 -7.762 3.833 -1.084 471 HE2 MET 60 HE2 MET 60 -7.196 4.365 0.499 472 HE3 MET 60 HE3 MET 60 -8.899 3.969 0.259 473 H ASP 61 H ASP 61 -7.743 9.372 -1.263 474 HA ASP 61 HA ASP 61 -9.609 11.214 0.051 475 HB2 ASP 61 HB2 ASP 61 -7.965 12.663 -0.703 476 HB3 ASP 61 HB3 ASP 61 -7.770 11.837 -2.244 477 H THR 62 H THR 62 -11.525 11.277 -0.620 478 HA THR 62 HA THR 62 -13.469 10.751 -1.648 479 HB THR 62 HB THR 62 -11.802 9.879 -4.003 480 HG1 THR 62 HG1 THR 62 -11.339 12.066 -3.374 481 HG21 THR 62 HG21 THR 62 -13.824 10.458 -5.286 482 HG22 THR 62 HG22 THR 62 -14.650 10.841 -3.773 483 HG23 THR 62 HG23 THR 62 -14.137 9.187 -4.104 484 H ASP 63 H ASP 63 -10.830 8.610 -1.471 485 HA ASP 63 HA ASP 63 -10.716 6.633 -0.320 486 HB2 ASP 63 HB2 ASP 63 -13.099 7.024 0.412 487 HB3 ASP 63 HB3 ASP 63 -13.605 6.118 -1.009 488 H GLY 64 H GLY 64 -10.885 7.576 -3.181 489 HA2 GLY 64 HA3 GLY 64 -10.912 4.923 -4.502 490 HA3 GLY 64 HA2 GLY 64 -11.400 6.411 -5.303 491 H LEU 65 H LEU 65 -9.543 8.156 -4.746 492 HA LEU 65 HA LEU 65 -7.124 6.950 -5.903 493 HB2 LEU 65 HB2 LEU 65 -8.219 9.748 -6.016 494 HB3 LEU 65 HB3 LEU 65 -6.538 9.412 -6.378 495 HG LEU 65 HG LEU 65 -7.360 7.807 -8.158 496 HD11 LEU 65 HD11 LEU 65 -9.638 7.511 -7.360 497 HD12 LEU 65 HD12 LEU 65 -9.974 9.219 -7.649 498 HD13 LEU 65 HD13 LEU 65 -9.625 8.145 -9.006 499 HD21 LEU 65 HD21 LEU 65 -8.039 10.730 -8.436 500 HD22 LEU 65 HD22 LEU 65 -6.454 9.997 -8.686 501 HD23 LEU 65 HD23 LEU 65 -7.790 9.599 -9.767 502 H LEU 66 H LEU 66 -5.500 6.618 -4.575 503 HA LEU 66 HA LEU 66 -5.459 8.303 -2.154 504 HB2 LEU 66 HB2 LEU 66 -4.209 6.273 -1.129 505 HB3 LEU 66 HB3 LEU 66 -5.954 6.264 -1.246 506 HG LEU 66 HG LEU 66 -4.209 4.907 -3.299 507 HD11 LEU 66 HD11 LEU 66 -5.399 3.744 -0.786 508 HD12 LEU 66 HD12 LEU 66 -4.645 2.825 -2.088 509 HD13 LEU 66 HD13 LEU 66 -3.681 3.949 -1.130 510 HD21 LEU 66 HD21 LEU 66 -6.204 3.635 -3.793 511 HD22 LEU 66 HD22 LEU 66 -7.075 4.429 -2.478 512 HD23 LEU 66 HD23 LEU 66 -6.578 5.355 -3.893 513 H TYR 67 H TYR 67 -3.901 9.637 -2.023 514 HA TYR 67 HA TYR 67 -1.342 9.014 -3.348 515 HB2 TYR 67 HB2 TYR 67 -1.231 11.264 -4.266 516 HB3 TYR 67 HB3 TYR 67 -2.724 10.500 -4.800 517 HD1 TYR 67 HD1 TYR 67 -4.890 11.137 -3.665 518 HD2 TYR 67 HD2 TYR 67 -1.270 13.289 -3.044 519 HE1 TYR 67 HE1 TYR 67 -6.177 13.042 -2.793 520 HE2 TYR 67 HE2 TYR 67 -2.548 15.198 -2.166 521 HH TYR 67 HH TYR 67 -5.797 14.984 -1.285 522 H GLY 68 H GLY 68 0.482 10.142 -2.376 523 HA2 GLY 68 HA3 GLY 68 0.016 11.627 0.041 524 HA3 GLY 68 HA2 GLY 68 0.559 9.980 0.346 525 H SER 69 H SER 69 1.681 12.907 0.430 526 HA SER 69 HA SER 69 4.340 11.878 -0.050 527 HB2 SER 69 HB2 SER 69 3.350 14.349 -1.435 528 HB3 SER 69 HB3 SER 69 5.064 13.987 -1.233 529 HG SER 69 HG SER 69 4.845 12.196 -2.493 530 H GLN 70 H GLN 70 2.525 14.726 1.031 531 HA GLN 70 HA GLN 70 4.866 15.777 2.362 532 HB2 GLN 70 HB2 GLN 70 2.021 16.780 2.316 533 HB3 GLN 70 HB3 GLN 70 3.401 17.664 2.952 534 HG2 GLN 70 HG2 GLN 70 3.149 16.762 0.095 535 HG3 GLN 70 HG3 GLN 70 2.675 18.357 0.678 536 HE21 GLN 70 HE21 GLN 70 4.238 19.807 1.313 537 HE22 GLN 70 HE22 GLN 70 5.912 19.612 0.905 538 H THR 71 H THR 71 1.735 14.516 3.371 539 HA THR 71 HA THR 71 2.745 14.279 6.121 540 HB THR 71 HB THR 71 0.018 15.373 5.372 541 HG1 THR 71 HG1 THR 71 2.354 16.597 5.544 542 HG21 THR 71 HG21 THR 71 1.302 15.023 8.087 543 HG22 THR 71 HG22 THR 71 -0.043 14.075 7.452 544 HG23 THR 71 HG23 THR 71 -0.252 15.797 7.773 545 HA PRO 72 HA PRO 72 0.111 10.607 5.743 546 HB2 PRO 72 HB2 PRO 72 1.191 9.187 7.745 547 HB3 PRO 72 HB3 PRO 72 2.086 9.483 6.248 548 HG2 PRO 72 HG2 PRO 72 2.570 10.566 8.931 549 HG3 PRO 72 HG3 PRO 72 3.642 10.558 7.523 550 HD2 PRO 72 HD2 PRO 72 1.877 12.695 8.494 551 HD3 PRO 72 HD3 PRO 72 3.189 12.782 7.296 552 H ASN 73 H ASN 73 -1.939 11.046 6.393 553 HA ASN 73 HA ASN 73 -2.423 12.065 9.132 554 HB2 ASN 73 HB2 ASN 73 -3.266 13.285 6.985 555 HB3 ASN 73 HB3 ASN 73 -4.392 11.945 6.824 556 HD21 ASN 73 HD21 ASN 73 -5.045 14.678 7.134 557 HD22 ASN 73 HD22 ASN 73 -5.947 14.839 8.603 558 H GLU 74 H GLU 74 -4.745 10.879 9.988 559 HA GLU 74 HA GLU 74 -4.384 8.279 8.676 560 HB2 GLU 74 HB2 GLU 74 -6.020 9.054 11.105 561 HB3 GLU 74 HB3 GLU 74 -6.135 7.479 10.334 562 HG2 GLU 74 HG2 GLU 74 -4.709 7.284 12.231 563 HG3 GLU 74 HG3 GLU 74 -3.721 7.138 10.782 564 H GLU 75 H GLU 75 -4.951 9.104 6.924 565 HA GLU 75 HA GLU 75 -7.652 8.221 6.347 566 HB2 GLU 75 HB2 GLU 75 -5.765 9.915 4.708 567 HB3 GLU 75 HB3 GLU 75 -7.353 9.364 4.170 568 HG2 GLU 75 HG2 GLU 75 -8.391 10.707 5.955 569 HG3 GLU 75 HG3 GLU 75 -6.792 11.288 6.420 570 H CYS 76 H CYS 76 -4.225 8.030 6.404 571 HA CYS 76 HA CYS 76 -3.731 6.389 4.220 572 HB2 CYS 76 HB2 CYS 76 -1.594 5.908 5.277 573 HB3 CYS 76 HB3 CYS 76 -1.991 7.618 5.410 574 HG CYS 76 HG CYS 76 -0.715 6.296 7.727 575 H LEU 77 H LEU 77 -5.480 5.684 6.971 576 HA LEU 77 HA LEU 77 -4.515 3.034 7.513 577 HB2 LEU 77 HB2 LEU 77 -6.869 4.589 8.589 578 HB3 LEU 77 HB3 LEU 77 -6.443 2.973 9.113 579 HG LEU 77 HG LEU 77 -4.762 5.453 9.470 580 HD11 LEU 77 HD11 LEU 77 -5.240 5.124 11.842 581 HD12 LEU 77 HD12 LEU 77 -6.722 5.372 10.921 582 HD13 LEU 77 HD13 LEU 77 -6.274 3.751 11.447 583 HD21 LEU 77 HD21 LEU 77 -3.382 3.469 9.113 584 HD22 LEU 77 HD22 LEU 77 -3.293 4.016 10.788 585 HD23 LEU 77 HD23 LEU 77 -4.278 2.614 10.369 586 H PHE 78 H PHE 78 -5.200 1.261 6.539 587 HA PHE 78 HA PHE 78 -7.926 1.308 5.490 588 HB2 PHE 78 HB2 PHE 78 -5.854 -0.370 4.110 589 HB3 PHE 78 HB3 PHE 78 -7.374 0.232 3.503 590 HD1 PHE 78 HD2 PHE 78 -7.509 2.901 3.415 591 HD2 PHE 78 HD1 PHE 78 -3.938 0.592 3.271 592 HE1 PHE 78 HE2 PHE 78 -6.359 4.757 2.281 593 HE2 PHE 78 HE1 PHE 78 -2.784 2.443 2.134 594 HZ PHE 78 HZ PHE 78 -3.996 4.529 1.637 595 H LEU 79 H LEU 79 -8.844 -0.930 5.295 596 HA LEU 79 HA LEU 79 -8.149 -2.421 7.713 597 HB2 LEU 79 HB2 LEU 79 -10.526 -1.679 7.046 598 HB3 LEU 79 HB3 LEU 79 -10.458 -2.949 5.843 599 HG LEU 79 HG LEU 79 -10.066 -3.523 8.776 600 HD11 LEU 79 HD11 LEU 79 -12.652 -3.513 7.223 601 HD12 LEU 79 HD12 LEU 79 -12.439 -4.110 8.868 602 HD13 LEU 79 HD13 LEU 79 -12.213 -2.397 8.516 603 HD21 LEU 79 HD21 LEU 79 -9.371 -5.275 7.214 604 HD22 LEU 79 HD22 LEU 79 -10.793 -5.768 8.133 605 HD23 LEU 79 HD23 LEU 79 -10.964 -5.239 6.459 606 H GLU 80 H GLU 80 -7.292 -4.512 7.631 607 HA GLU 80 HA GLU 80 -6.419 -5.253 4.933 608 HB2 GLU 80 HB2 GLU 80 -4.617 -4.981 6.557 609 HB3 GLU 80 HB3 GLU 80 -5.346 -6.206 7.591 610 HG2 GLU 80 HG2 GLU 80 -4.932 -7.918 5.991 611 HG3 GLU 80 HG3 GLU 80 -4.447 -6.744 4.772 612 H ARG 81 H ARG 81 -7.191 -6.873 3.902 613 HA ARG 81 HA ARG 81 -8.821 -8.872 5.287 614 HB2 ARG 81 HB2 ARG 81 -10.034 -7.834 3.494 615 HB3 ARG 81 HB3 ARG 81 -8.676 -8.013 2.390 616 HG2 ARG 81 HG2 ARG 81 -8.962 -10.509 2.642 617 HG3 ARG 81 HG3 ARG 81 -10.484 -10.160 3.463 618 HD2 ARG 81 HD2 ARG 81 -9.820 -9.136 0.714 619 HD3 ARG 81 HD3 ARG 81 -10.637 -10.670 0.995 620 HE ARG 81 HE ARG 81 -11.965 -8.529 2.331 621 HH11 ARG 81 HH12 ARG 81 -11.503 -10.015 -0.805 622 HH12 ARG 81 HH11 ARG 81 -13.037 -9.494 -1.433 623 HH21 ARG 81 HH22 ARG 81 -13.998 -7.840 1.517 624 HH22 ARG 81 HH21 ARG 81 -14.449 -8.256 -0.109 625 H LEU 82 H LEU 82 -8.145 -10.929 5.377 626 HA LEU 82 HA LEU 82 -5.536 -11.486 4.177 627 HB2 LEU 82 HB2 LEU 82 -7.002 -12.817 6.446 628 HB3 LEU 82 HB3 LEU 82 -5.503 -13.427 5.768 629 HG LEU 82 HG LEU 82 -5.863 -10.739 7.089 630 HD11 LEU 82 HD11 LEU 82 -4.450 -13.229 8.036 631 HD12 LEU 82 HD12 LEU 82 -4.464 -11.670 8.861 632 HD13 LEU 82 HD13 LEU 82 -5.960 -12.584 8.679 633 HD21 LEU 82 HD21 LEU 82 -4.187 -10.670 5.325 634 HD22 LEU 82 HD22 LEU 82 -3.431 -10.562 6.914 635 HD23 LEU 82 HD23 LEU 82 -3.385 -12.080 6.016 636 H GLU 83 H GLU 83 -5.644 -12.349 2.300 637 HA GLU 83 HA GLU 83 -7.651 -14.319 1.579 638 HB2 GLU 83 HB2 GLU 83 -6.918 -12.665 -0.095 639 HB3 GLU 83 HB3 GLU 83 -5.258 -13.210 0.074 640 HG2 GLU 83 HG2 GLU 83 -6.289 -14.055 -1.962 641 HG3 GLU 83 HG3 GLU 83 -5.833 -15.362 -0.874 642 H GLU 84 H GLU 84 -6.862 -16.468 0.727 643 HA GLU 84 HA GLU 84 -4.992 -17.479 2.724 644 HB2 GLU 84 HB2 GLU 84 -7.287 -18.507 2.281 645 HB3 GLU 84 HB3 GLU 84 -6.614 -19.119 0.775 646 HG2 GLU 84 HG2 GLU 84 -6.644 -20.666 2.815 647 HG3 GLU 84 HG3 GLU 84 -5.163 -20.566 1.864 648 H ASN 85 H ASN 85 -3.572 -19.389 1.870 649 HA ASN 85 HA ASN 85 -1.616 -19.816 0.845 650 HB2 ASN 85 HB2 ASN 85 -2.875 -18.442 -1.536 651 HB3 ASN 85 HB3 ASN 85 -1.307 -19.240 -1.584 652 HD21 ASN 85 HD21 ASN 85 -4.732 -19.660 -1.481 653 HD22 ASN 85 HD22 ASN 85 -4.739 -21.368 -1.747 654 H HIS 86 H HIS 86 -2.584 -17.230 1.942 655 HA HIS 86 HA HIS 86 -1.554 -15.571 3.068 656 HB2 HIS 86 HB2 HIS 86 0.963 -16.771 1.919 657 HB3 HIS 86 HB3 HIS 86 0.941 -15.459 3.095 658 HD1 HIS 86 HD1 HIS 86 1.633 -18.820 3.129 659 HD2 HIS 86 HD2 HIS 86 -1.043 -16.519 5.328 660 HE1 HIS 86 HE1 HIS 86 1.124 -20.158 5.198 661 HE2 HIS 86 HE2 HIS 86 -0.695 -18.861 6.365 662 H TYR 87 H TYR 87 -2.772 -14.857 0.775 663 HA TYR 87 HA TYR 87 -1.043 -12.693 -0.225 664 HB2 TYR 87 HB2 TYR 87 -3.782 -13.551 -1.201 665 HB3 TYR 87 HB3 TYR 87 -2.754 -12.331 -1.941 666 HD1 TYR 87 HD1 TYR 87 -0.312 -13.255 -2.573 667 HD2 TYR 87 HD2 TYR 87 -3.812 -15.636 -2.164 668 HE1 TYR 87 HE1 TYR 87 0.698 -14.977 -4.010 669 HE2 TYR 87 HE2 TYR 87 -2.813 -17.365 -3.594 670 HH TYR 87 HH TYR 87 -1.101 -17.549 -5.335 671 H ASN 88 H ASN 88 -1.802 -10.464 0.007 672 HA ASN 88 HA ASN 88 -3.842 -10.275 2.139 673 HB2 ASN 88 HB2 ASN 88 -1.492 -8.444 1.683 674 HB3 ASN 88 HB3 ASN 88 -2.775 -8.145 2.834 675 HD21 ASN 88 HD21 ASN 88 -1.496 -8.159 4.636 676 HD22 ASN 88 HD22 ASN 88 -0.719 -9.592 5.225 677 H THR 89 H THR 89 -5.175 -8.527 2.147 678 HA THR 89 HA THR 89 -5.514 -7.131 -0.411 679 HB THR 89 HB THR 89 -7.860 -8.052 1.253 680 HG1 THR 89 HG1 THR 89 -6.202 -9.544 -0.384 681 HG21 THR 89 HG21 THR 89 -7.521 -7.317 -1.667 682 HG22 THR 89 HG22 THR 89 -8.277 -6.316 -0.424 683 HG23 THR 89 HG23 THR 89 -9.035 -7.832 -0.914 684 H TYR 90 H TYR 90 -6.736 -5.057 -0.141 685 HA TYR 90 HA TYR 90 -6.729 -4.100 2.635 686 HB2 TYR 90 HB2 TYR 90 -5.659 -2.628 0.221 687 HB3 TYR 90 HB3 TYR 90 -6.022 -1.841 1.751 688 HD1 TYR 90 HD1 TYR 90 -4.945 -3.474 3.801 689 HD2 TYR 90 HD2 TYR 90 -3.394 -2.812 -0.106 690 HE1 TYR 90 HE1 TYR 90 -2.683 -3.995 4.615 691 HE2 TYR 90 HE2 TYR 90 -1.130 -3.338 0.695 692 HH TYR 90 HH TYR 90 -0.562 -4.689 3.828 693 H ILE 91 H ILE 91 -8.464 -2.993 3.241 694 HA ILE 91 HA ILE 91 -10.527 -2.318 1.259 695 HB ILE 91 HB ILE 91 -10.940 -2.241 4.217 696 HG12 ILE 91 HG12 ILE 91 -9.886 -4.373 3.800 697 HG13 ILE 91 HG13 ILE 91 -11.563 -4.585 4.290 698 HG21 ILE 91 HG21 ILE 91 -12.763 -2.936 1.918 699 HG22 ILE 91 HG22 ILE 91 -13.241 -2.860 3.613 700 HG23 ILE 91 HG23 ILE 91 -12.708 -1.399 2.781 701 HD11 ILE 91 HD11 ILE 91 -10.986 -6.134 2.516 702 HD12 ILE 91 HD12 ILE 91 -12.182 -4.970 1.945 703 HD13 ILE 91 HD13 ILE 91 -10.490 -4.796 1.480 704 H SER 92 H SER 92 -11.324 -0.197 1.334 705 HA SER 92 HA SER 92 -9.402 1.697 2.347 706 HB2 SER 92 HB2 SER 92 -11.912 2.571 0.987 707 HB3 SER 92 HB3 SER 92 -10.263 3.170 0.798 708 HG SER 92 HG SER 92 -11.170 1.931 -0.999 709 H LYS 93 H LYS 93 -9.642 1.737 4.477 710 HA LYS 93 HA LYS 93 -12.127 1.507 5.797 711 HB2 LYS 93 HB2 LYS 93 -9.465 1.279 6.491 712 HB3 LYS 93 HB3 LYS 93 -9.984 2.712 7.370 713 HG2 LYS 93 HG2 LYS 93 -11.797 1.452 8.375 714 HG3 LYS 93 HG3 LYS 93 -11.307 0.018 7.469 715 HD2 LYS 93 HD2 LYS 93 -9.179 -0.028 8.626 716 HD3 LYS 93 HD3 LYS 93 -9.586 1.459 9.486 717 HE2 LYS 93 HE2 LYS 93 -11.286 -1.011 9.675 718 HE3 LYS 93 HE3 LYS 93 -9.900 -0.750 10.733 719 HZ1 LYS 93 HZ1 LYS 93 -10.895 1.146 11.662 720 HZ2 LYS 93 HZ2 LYS 93 -12.127 -0.021 11.614 721 HZ3 LYS 93 HZ3 LYS 93 -12.097 1.228 10.466 722 H LYS 94 H LYS 94 -10.833 4.105 4.206 723 HA LYS 94 HA LYS 94 -11.773 6.246 5.808 724 HB2 LYS 94 HB2 LYS 94 -10.193 6.488 3.839 725 HB3 LYS 94 HB3 LYS 94 -11.562 6.208 2.776 726 HG2 LYS 94 HG2 LYS 94 -11.247 8.525 2.825 727 HG3 LYS 94 HG3 LYS 94 -12.653 8.208 3.853 728 HD2 LYS 94 HD2 LYS 94 -11.152 8.266 5.839 729 HD3 LYS 94 HD3 LYS 94 -9.829 8.742 4.777 730 HE2 LYS 94 HE2 LYS 94 -12.400 10.275 5.154 731 HE3 LYS 94 HE3 LYS 94 -10.866 10.657 5.935 732 HZ1 LYS 94 HZ1 LYS 94 -11.291 10.613 2.994 733 HZ2 LYS 94 HZ2 LYS 94 -9.885 11.116 3.807 734 HZ3 LYS 94 HZ3 LYS 94 -11.315 12.007 3.952 735 H HIS 95 H HIS 95 -13.147 5.070 2.733 736 HA HIS 95 HA HIS 95 -15.799 5.353 3.928 737 HB2 HIS 95 HB2 HIS 95 -14.941 4.946 1.074 738 HB3 HIS 95 HB3 HIS 95 -16.619 4.786 1.580 739 HD1 HIS 95 HD1 HIS 95 -13.852 7.376 1.669 740 HD2 HIS 95 HD2 HIS 95 -17.995 7.127 1.542 741 HE1 HIS 95 HE1 HIS 95 -14.657 9.737 1.450 742 HE2 HIS 95 HE2 HIS 95 -17.158 9.557 1.196 743 H ALA 96 H ALA 96 -14.298 3.330 5.033 744 HA ALA 96 HA ALA 96 -14.619 0.779 3.960 745 HB1 ALA 96 HB1 ALA 96 -14.467 -0.068 6.244 746 HB2 ALA 96 HB2 ALA 96 -13.300 1.228 5.975 747 HB3 ALA 96 HB3 ALA 96 -14.783 1.549 6.872 748 H GLU 97 H GLU 97 -16.854 2.878 5.486 749 HA GLU 97 HA GLU 97 -18.959 1.267 6.207 750 HB2 GLU 97 HB2 GLU 97 -18.731 3.675 6.658 751 HB3 GLU 97 HB3 GLU 97 -19.004 4.017 4.959 752 HG2 GLU 97 HG2 GLU 97 -21.268 3.204 5.120 753 HG3 GLU 97 HG3 GLU 97 -21.005 2.735 6.802 754 H LYS 98 H LYS 98 -18.009 2.346 2.982 755 HA LYS 98 HA LYS 98 -20.480 1.236 1.866 756 HB2 LYS 98 HB2 LYS 98 -18.288 2.852 0.573 757 HB3 LYS 98 HB3 LYS 98 -19.728 2.274 -0.255 758 HG2 LYS 98 HG2 LYS 98 -21.108 3.560 1.351 759 HG3 LYS 98 HG3 LYS 98 -19.622 4.215 2.042 760 HD2 LYS 98 HD2 LYS 98 -19.046 5.188 -0.130 761 HD3 LYS 98 HD3 LYS 98 -20.537 4.535 -0.817 762 HE2 LYS 98 HE2 LYS 98 -21.834 5.853 0.797 763 HE3 LYS 98 HE3 LYS 98 -20.336 6.526 1.436 764 HZ1 LYS 98 HZ1 LYS 98 -19.900 7.411 -0.824 765 HZ2 LYS 98 HZ2 LYS 98 -21.261 8.077 -0.075 766 HZ3 LYS 98 HZ3 LYS 98 -21.454 6.909 -1.282 767 H ASN 99 H ASN 99 -17.447 0.105 2.572 768 HA ASN 99 HA ASN 99 -16.620 -1.995 2.275 769 HB2 ASN 99 HB2 ASN 99 -18.879 -2.363 0.296 770 HB3 ASN 99 HB3 ASN 99 -17.733 -3.623 0.737 771 HD21 ASN 99 HD21 ASN 99 -20.484 -1.796 1.696 772 HD22 ASN 99 HD22 ASN 99 -20.835 -2.672 3.148 773 H TRP 100 H TRP 100 -15.943 0.430 0.650 774 HA TRP 100 HA TRP 100 -15.312 -0.503 -1.981 775 HB2 TRP 100 HB2 TRP 100 -15.846 1.898 -1.145 776 HB3 TRP 100 HB3 TRP 100 -14.151 1.946 -0.686 777 HD1 TRP 100 HD1 TRP 100 -14.392 0.008 -3.802 778 HE1 TRP 100 HE1 TRP 100 -13.806 1.467 -5.842 779 HE3 TRP 100 HE3 TRP 100 -14.624 4.617 -1.603 780 HZ2 TRP 100 HZ2 TRP 100 -13.492 4.213 -6.434 781 HZ3 TRP 100 HZ3 TRP 100 -14.150 6.603 -2.977 782 HH2 TRP 100 HH2 TRP 100 -13.598 6.410 -5.322 783 H PHE 101 H PHE 101 -13.194 -0.888 -2.827 784 HA PHE 101 HA PHE 101 -11.513 -2.177 -0.804 785 HB2 PHE 101 HB2 PHE 101 -11.565 -2.456 -3.815 786 HB3 PHE 101 HB3 PHE 101 -10.452 -3.309 -2.758 787 HD1 PHE 101 HD1 PHE 101 -14.015 -2.935 -3.663 788 HD2 PHE 101 HD2 PHE 101 -11.081 -5.294 -1.681 789 HE1 PHE 101 HE1 PHE 101 -15.629 -4.781 -3.483 790 HE2 PHE 101 HE2 PHE 101 -12.692 -7.144 -1.494 791 HZ PHE 101 HZ PHE 101 -14.965 -6.891 -2.404 792 H VAL 102 H VAL 102 -9.332 -1.716 -0.539 793 HA VAL 102 HA VAL 102 -8.278 0.575 -2.006 794 HB VAL 102 HB VAL 102 -7.092 -1.096 0.222 795 HG11 VAL 102 HG11 VAL 102 -5.306 -0.557 -1.358 796 HG12 VAL 102 HG12 VAL 102 -5.770 1.144 -1.317 797 HG13 VAL 102 HG13 VAL 102 -5.125 0.370 0.132 798 HG21 VAL 102 HG21 VAL 102 -8.704 0.587 0.904 799 HG22 VAL 102 HG22 VAL 102 -7.077 1.027 1.425 800 HG23 VAL 102 HG23 VAL 102 -7.801 1.823 0.027 801 H GLY 103 H GLY 103 -7.511 0.224 -3.910 802 HA2 GLY 103 HA3 GLY 103 -5.811 -2.140 -4.314 803 HA3 GLY 103 HA2 GLY 103 -7.020 -1.728 -5.509 804 H LEU 104 H LEU 104 -4.103 -1.854 -5.517 805 HA LEU 104 HA LEU 104 -3.472 0.971 -6.144 806 HB2 LEU 104 HB2 LEU 104 -1.123 0.321 -5.416 807 HB3 LEU 104 HB3 LEU 104 -2.320 0.576 -4.171 808 HG LEU 104 HG LEU 104 -2.551 -1.946 -4.041 809 HD11 LEU 104 HD11 LEU 104 0.015 -1.835 -5.623 810 HD12 LEU 104 HD12 LEU 104 -0.668 -3.264 -4.847 811 HD13 LEU 104 HD13 LEU 104 -1.515 -2.502 -6.193 812 HD21 LEU 104 HD21 LEU 104 -0.539 -2.131 -2.668 813 HD22 LEU 104 HD22 LEU 104 0.092 -0.652 -3.405 814 HD23 LEU 104 HD23 LEU 104 -1.366 -0.593 -2.408 815 H LYS 105 H LYS 105 -2.232 1.334 -8.057 816 HA LYS 105 HA LYS 105 -1.461 -1.218 -9.364 817 HB2 LYS 105 HB2 LYS 105 -2.694 0.964 -10.377 818 HB3 LYS 105 HB3 LYS 105 -1.026 1.418 -10.671 819 HG2 LYS 105 HG2 LYS 105 -1.858 0.423 -12.645 820 HG3 LYS 105 HG3 LYS 105 -0.744 -0.728 -11.913 821 HD2 LYS 105 HD2 LYS 105 -2.463 -2.139 -11.228 822 HD3 LYS 105 HD3 LYS 105 -3.685 -0.874 -11.367 823 HE2 LYS 105 HE2 LYS 105 -3.779 -2.612 -13.164 824 HE3 LYS 105 HE3 LYS 105 -3.608 -0.960 -13.753 825 HZ1 LYS 105 HZ1 LYS 105 -1.248 -2.689 -13.359 826 HZ2 LYS 105 HZ2 LYS 105 -1.402 -1.315 -14.340 827 HZ3 LYS 105 HZ3 LYS 105 -2.159 -2.766 -14.785 828 H LYS 106 H LYS 106 0.485 -1.786 -8.155 829 HA LYS 106 HA LYS 106 2.548 0.178 -7.900 830 HB2 LYS 106 HB2 LYS 106 3.834 -1.399 -6.867 831 HB3 LYS 106 HB3 LYS 106 2.301 -2.243 -6.729 832 HG2 LYS 106 HG2 LYS 106 2.819 -3.694 -8.517 833 HG3 LYS 106 HG3 LYS 106 4.171 -2.690 -9.041 834 HD2 LYS 106 HD2 LYS 106 5.473 -3.317 -7.152 835 HD3 LYS 106 HD3 LYS 106 4.087 -4.082 -6.373 836 HE2 LYS 106 HE2 LYS 106 4.060 -5.852 -7.956 837 HE3 LYS 106 HE3 LYS 106 5.209 -5.035 -9.011 838 HZ1 LYS 106 HZ1 LYS 106 6.906 -5.301 -7.298 839 HZ2 LYS 106 HZ2 LYS 106 6.264 -6.807 -7.744 840 HZ3 LYS 106 HZ3 LYS 106 5.795 -6.086 -6.290 841 H ASN 107 H ASN 107 1.734 -2.350 -10.162 842 HA ASN 107 HA ASN 107 3.981 -1.870 -11.842 843 HB2 ASN 107 HB2 ASN 107 2.756 -3.363 -13.446 844 HB3 ASN 107 HB3 ASN 107 2.982 -4.070 -11.848 845 HD21 ASN 107 HD21 ASN 107 1.290 -5.515 -12.199 846 HD22 ASN 107 HD22 ASN 107 -0.361 -5.015 -12.135 847 H GLY 108 H GLY 108 1.377 -0.022 -11.112 848 HA2 GLY 108 HA3 GLY 108 1.235 1.111 -13.827 849 HA3 GLY 108 HA2 GLY 108 -0.143 1.041 -12.749 850 H SER 109 H SER 109 0.392 2.190 -10.480 851 HA SER 109 HA SER 109 1.256 4.807 -10.709 852 HB2 SER 109 HB2 SER 109 -0.036 4.757 -12.886 853 HB3 SER 109 HB3 SER 109 -1.490 4.413 -11.953 854 HG SER 109 HG SER 109 -0.456 6.770 -12.520 855 H CYS 110 H CYS 110 -0.611 6.193 -9.420 856 HA CYS 110 HA CYS 110 -0.728 4.576 -7.059 857 HB2 CYS 110 HB2 CYS 110 -1.552 6.678 -5.989 858 HB3 CYS 110 HB3 CYS 110 -0.028 6.890 -6.838 859 HG CYS 110 HG CYS 110 -1.001 8.320 -8.920 860 H LYS 111 H LYS 111 -2.827 4.732 -5.726 861 HA LYS 111 HA LYS 111 -3.890 2.619 -7.189 862 HB2 LYS 111 HB2 LYS 111 -4.930 3.125 -4.514 863 HB3 LYS 111 HB3 LYS 111 -4.058 1.733 -5.141 864 HG2 LYS 111 HG2 LYS 111 -2.826 4.324 -4.215 865 HG3 LYS 111 HG3 LYS 111 -2.844 2.810 -3.322 866 HD2 LYS 111 HD2 LYS 111 -1.399 1.776 -4.953 867 HD3 LYS 111 HD3 LYS 111 -1.446 3.197 -6.021 868 HE2 LYS 111 HE2 LYS 111 -0.252 2.940 -3.252 869 HE3 LYS 111 HE3 LYS 111 0.581 3.285 -4.767 870 HZ1 LYS 111 HZ1 LYS 111 0.308 5.276 -3.449 871 HZ2 LYS 111 HZ2 LYS 111 -1.373 5.077 -3.420 872 HZ3 LYS 111 HZ3 LYS 111 -0.580 5.402 -4.877 873 H ARG 112 H ARG 112 -6.177 2.086 -7.224 874 HA ARG 112 HA ARG 112 -7.512 4.534 -8.051 875 HB2 ARG 112 HB2 ARG 112 -6.866 2.174 -9.792 876 HB3 ARG 112 HB3 ARG 112 -7.918 3.501 -10.271 877 HG2 ARG 112 HG2 ARG 112 -5.090 3.943 -9.356 878 HG3 ARG 112 HG3 ARG 112 -5.510 3.612 -11.057 879 HD2 ARG 112 HD2 ARG 112 -7.224 5.543 -10.711 880 HD3 ARG 112 HD3 ARG 112 -6.195 5.969 -9.344 881 HE ARG 112 HE ARG 112 -5.200 5.772 -12.120 882 HH11 ARG 112 HH12 ARG 112 -5.268 7.324 -8.987 883 HH12 ARG 112 HH11 ARG 112 -4.219 8.620 -9.459 884 HH21 ARG 112 HH22 ARG 112 -3.840 7.481 -12.762 885 HH22 ARG 112 HH21 ARG 112 -3.419 8.723 -11.622 886 H GLY 113 H GLY 113 -9.307 4.421 -6.817 887 HA2 GLY 113 HA3 GLY 113 -10.669 2.073 -6.107 888 HA3 GLY 113 HA2 GLY 113 -11.301 3.701 -5.996 889 HA PRO 114 HA PRO 114 -13.712 3.259 -9.913 890 HB2 PRO 114 HB2 PRO 114 -11.887 3.082 -12.080 891 HB3 PRO 114 HB3 PRO 114 -12.852 4.478 -11.601 892 HG2 PRO 114 HG2 PRO 114 -10.021 3.830 -10.984 893 HG3 PRO 114 HG3 PRO 114 -10.794 5.411 -11.203 894 HD2 PRO 114 HD2 PRO 114 -10.110 4.548 -8.775 895 HD3 PRO 114 HD3 PRO 114 -11.629 5.437 -9.028 896 H ARG 115 H ARG 115 -10.854 1.191 -9.572 897 HA ARG 115 HA ARG 115 -12.459 -1.008 -10.659 898 HB2 ARG 115 HB2 ARG 115 -9.472 -0.730 -11.026 899 HB3 ARG 115 HB3 ARG 115 -10.485 -2.029 -11.635 900 HG2 ARG 115 HG2 ARG 115 -10.321 -0.809 -13.533 901 HG3 ARG 115 HG3 ARG 115 -11.709 0.017 -12.822 902 HD2 ARG 115 HD2 ARG 115 -10.248 1.725 -11.899 903 HD3 ARG 115 HD3 ARG 115 -8.835 0.886 -12.530 904 HE ARG 115 HE ARG 115 -10.806 2.413 -14.074 905 HH11 ARG 115 HH12 ARG 115 -7.920 0.422 -14.050 906 HH12 ARG 115 HH11 ARG 115 -7.351 1.009 -15.588 907 HH21 ARG 115 HH22 ARG 115 -10.049 3.196 -16.072 908 HH22 ARG 115 HH21 ARG 115 -8.556 2.598 -16.728 909 H THR 116 H THR 116 -11.398 0.158 -7.889 910 HA THR 116 HA THR 116 -10.021 -2.082 -6.792 911 HB THR 116 HB THR 116 -10.493 -1.026 -4.599 912 HG1 THR 116 HG1 THR 116 -11.470 0.974 -4.557 913 HG21 THR 116 HG21 THR 116 -8.423 -0.546 -5.797 914 HG22 THR 116 HG22 THR 116 -8.987 0.888 -4.942 915 HG23 THR 116 HG23 THR 116 -9.227 0.749 -6.684 916 H HIS 117 H HIS 117 -10.965 -3.826 -6.876 917 HA HIS 117 HA HIS 117 -12.803 -5.074 -5.450 918 HB2 HIS 117 HB2 HIS 117 -14.846 -5.163 -6.954 919 HB3 HIS 117 HB3 HIS 117 -14.671 -3.641 -6.098 920 HD1 HIS 117 HD1 HIS 117 -15.010 -1.633 -7.477 921 HD2 HIS 117 HD2 HIS 117 -13.872 -4.908 -9.783 922 HE1 HIS 117 HE1 HIS 117 -15.119 -0.856 -9.867 923 HE2 HIS 117 HE2 HIS 117 -14.603 -2.899 -11.252 924 H TYR 118 H TYR 118 -13.636 -7.062 -7.291 925 HA TYR 118 HA TYR 118 -11.015 -7.405 -8.509 926 HB2 TYR 118 HB2 TYR 118 -13.418 -9.190 -8.255 927 HB3 TYR 118 HB3 TYR 118 -12.068 -9.624 -9.300 928 HD1 TYR 118 HD1 TYR 118 -13.129 -9.097 -5.812 929 HD2 TYR 118 HD2 TYR 118 -9.955 -10.314 -8.370 930 HE1 TYR 118 HE1 TYR 118 -11.927 -10.018 -3.873 931 HE2 TYR 118 HE2 TYR 118 -8.746 -11.241 -6.440 932 HH TYR 118 HH TYR 118 -10.203 -11.665 -3.373 933 H GLY 119 H GLY 119 -11.284 -5.572 -9.690 934 HA2 GLY 119 HA3 GLY 119 -12.472 -6.014 -12.329 935 HA3 GLY 119 HA2 GLY 119 -11.890 -4.457 -11.708 936 H GLN 120 H GLN 120 -9.656 -5.363 -10.467 937 HA GLN 120 HA GLN 120 -7.857 -6.100 -12.672 938 HB2 GLN 120 HB2 GLN 120 -7.717 -3.823 -10.688 939 HB3 GLN 120 HB3 GLN 120 -6.263 -4.443 -11.472 940 HG2 GLN 120 HG2 GLN 120 -7.129 -3.851 -13.638 941 HG3 GLN 120 HG3 GLN 120 -8.671 -3.373 -12.926 942 HE21 GLN 120 HE21 GLN 120 -5.673 -2.683 -11.328 943 HE22 GLN 120 HE22 GLN 120 -5.681 -0.978 -11.605 944 H LYS 121 H LYS 121 -5.974 -7.258 -12.010 945 HA LYS 121 HA LYS 121 -6.249 -8.553 -9.411 946 HB2 LYS 121 HB2 LYS 121 -4.356 -9.085 -11.705 947 HB3 LYS 121 HB3 LYS 121 -4.323 -9.963 -10.181 948 HG2 LYS 121 HG2 LYS 121 -6.827 -10.426 -10.696 949 HG3 LYS 121 HG3 LYS 121 -6.369 -10.018 -12.350 950 HD2 LYS 121 HD2 LYS 121 -4.709 -11.757 -12.373 951 HD3 LYS 121 HD3 LYS 121 -4.978 -12.096 -10.664 952 HE2 LYS 121 HE2 LYS 121 -7.375 -12.638 -11.301 953 HE3 LYS 121 HE3 LYS 121 -6.834 -12.599 -12.978 954 HZ1 LYS 121 HZ1 LYS 121 -6.818 -14.846 -12.094 955 HZ2 LYS 121 HZ2 LYS 121 -5.768 -14.379 -10.850 956 HZ3 LYS 121 HZ3 LYS 121 -5.239 -14.346 -12.461 957 H ALA 122 H ALA 122 -5.138 -5.740 -10.274 958 HA ALA 122 HA ALA 122 -2.689 -5.678 -8.750 959 HB1 ALA 122 HB1 ALA 122 -2.800 -3.256 -9.099 960 HB2 ALA 122 HB2 ALA 122 -3.009 -4.135 -10.615 961 HB3 ALA 122 HB3 ALA 122 -4.407 -3.431 -9.804 962 H ILE 123 H ILE 123 -5.824 -6.088 -7.991 963 HA ILE 123 HA ILE 123 -5.801 -4.599 -5.489 964 HB ILE 123 HB ILE 123 -7.835 -6.672 -6.321 965 HG12 ILE 123 HG12 ILE 123 -7.656 -5.082 -8.169 966 HG13 ILE 123 HG13 ILE 123 -9.177 -4.861 -7.311 967 HG21 ILE 123 HG21 ILE 123 -8.024 -4.252 -4.526 968 HG22 ILE 123 HG22 ILE 123 -9.350 -5.346 -4.913 969 HG23 ILE 123 HG23 ILE 123 -7.958 -5.938 -4.008 970 HD11 ILE 123 HD11 ILE 123 -6.723 -3.146 -7.016 971 HD12 ILE 123 HD12 ILE 123 -8.179 -2.737 -7.922 972 HD13 ILE 123 HD13 ILE 123 -8.253 -2.918 -6.170 973 H LEU 124 H LEU 124 -4.385 -7.291 -6.655 974 HA LEU 124 HA LEU 124 -4.448 -8.697 -4.077 975 HB2 LEU 124 HB2 LEU 124 -5.029 -9.994 -6.143 976 HB3 LEU 124 HB3 LEU 124 -3.403 -9.700 -6.728 977 HG LEU 124 HG LEU 124 -2.508 -10.928 -4.763 978 HD11 LEU 124 HD11 LEU 124 -4.364 -10.551 -3.232 979 HD12 LEU 124 HD12 LEU 124 -5.413 -11.545 -4.244 980 HD13 LEU 124 HD13 LEU 124 -4.037 -12.275 -3.417 981 HD21 LEU 124 HD21 LEU 124 -4.494 -12.454 -6.443 982 HD22 LEU 124 HD22 LEU 124 -2.834 -12.064 -6.896 983 HD23 LEU 124 HD23 LEU 124 -3.146 -13.153 -5.545 984 H PHE 125 H PHE 125 -2.829 -8.208 -2.766 985 HA PHE 125 HA PHE 125 -0.193 -7.651 -3.919 986 HB2 PHE 125 HB2 PHE 125 -0.382 -5.935 -1.725 987 HB3 PHE 125 HB3 PHE 125 -0.327 -5.486 -3.425 988 HD1 PHE 125 HD1 PHE 125 -2.648 -6.355 -0.670 989 HD2 PHE 125 HD2 PHE 125 -2.139 -4.448 -4.436 990 HE1 PHE 125 HE1 PHE 125 -4.894 -5.384 -0.479 991 HE2 PHE 125 HE2 PHE 125 -4.388 -3.471 -4.248 992 HZ PHE 125 HZ PHE 125 -5.767 -3.942 -2.268 993 H LEU 126 H LEU 126 1.546 -7.616 -2.368 994 HA LEU 126 HA LEU 126 1.117 -9.357 -0.054 995 HB2 LEU 126 HB2 LEU 126 3.325 -9.527 -2.118 996 HB3 LEU 126 HB3 LEU 126 3.411 -10.309 -0.556 997 HG LEU 126 HG LEU 126 2.811 -11.991 -2.072 998 HD11 LEU 126 HD11 LEU 126 0.278 -11.038 -0.762 999 HD12 LEU 126 HD12 LEU 126 0.573 -12.662 -1.386 1000 HD13 LEU 126 HD13 LEU 126 1.522 -12.053 -0.030 1001 HD21 LEU 126 HD21 LEU 126 0.960 -11.826 -3.660 1002 HD22 LEU 126 HD22 LEU 126 0.686 -10.155 -3.165 1003 HD23 LEU 126 HD23 LEU 126 2.192 -10.601 -3.965 1004 HA PRO 127 HA PRO 127 3.911 -6.237 1.570 1005 HB2 PRO 127 HB2 PRO 127 3.440 -6.768 4.183 1006 HB3 PRO 127 HB3 PRO 127 2.247 -5.963 3.160 1007 HG2 PRO 127 HG2 PRO 127 2.169 -8.647 4.310 1008 HG3 PRO 127 HG3 PRO 127 0.866 -7.725 3.544 1009 HD2 PRO 127 HD2 PRO 127 2.598 -9.800 2.394 1010 HD3 PRO 127 HD3 PRO 127 1.076 -9.133 1.765 1011 H LEU 128 H LEU 128 5.985 -6.827 1.159 1012 HA LEU 128 HA LEU 128 7.134 -9.017 2.758 1013 HB2 LEU 128 HB2 LEU 128 7.869 -8.130 -0.035 1014 HB3 LEU 128 HB3 LEU 128 8.721 -9.358 0.884 1015 HG LEU 128 HG LEU 128 5.839 -9.549 -0.003 1016 HD11 LEU 128 HD11 LEU 128 7.371 -9.651 -1.893 1017 HD12 LEU 128 HD12 LEU 128 8.314 -10.896 -1.076 1018 HD13 LEU 128 HD13 LEU 128 6.657 -11.233 -1.577 1019 HD21 LEU 128 HD21 LEU 128 7.654 -11.578 1.298 1020 HD22 LEU 128 HD22 LEU 128 6.282 -10.774 2.060 1021 HD23 LEU 128 HD23 LEU 128 6.019 -11.881 0.713 1022 HA PRO 129 HA PRO 129 9.720 -5.528 3.990 1023 HB2 PRO 129 HB2 PRO 129 10.167 -6.764 6.490 1024 HB3 PRO 129 HB3 PRO 129 9.020 -5.470 6.148 1025 HG2 PRO 129 HG2 PRO 129 8.393 -8.100 6.899 1026 HG3 PRO 129 HG3 PRO 129 7.267 -6.892 6.263 1027 HD2 PRO 129 HD2 PRO 129 8.596 -9.163 4.880 1028 HD3 PRO 129 HD3 PRO 129 7.015 -8.413 4.566 1029 H VAL 130 H VAL 130 12.034 -5.483 4.736 1030 HA VAL 130 HA VAL 130 13.558 -7.659 3.728 1031 HB VAL 130 HB VAL 130 15.443 -6.489 5.079 1032 HG11 VAL 130 HG11 VAL 130 15.213 -6.344 2.658 1033 HG12 VAL 130 HG12 VAL 130 14.022 -5.056 2.835 1034 HG13 VAL 130 HG13 VAL 130 15.693 -4.786 3.328 1035 HG21 VAL 130 HG21 VAL 130 15.001 -4.129 5.581 1036 HG22 VAL 130 HG22 VAL 130 13.300 -4.372 5.184 1037 HG23 VAL 130 HG23 VAL 130 14.008 -5.203 6.567 1038 H SER 131 H SER 131 14.293 -9.426 4.772 1039 HA SER 131 HA SER 131 13.201 -9.781 7.477 1040 HB2 SER 131 HB2 SER 131 13.284 -12.258 6.830 1041 HB3 SER 131 HB3 SER 131 12.080 -11.261 6.015 1042 HG SER 131 HG SER 131 14.405 -12.457 5.010 1043 H SER 132 H SER 132 14.376 -10.925 9.025 1044 HA SER 132 HA SER 132 17.257 -11.006 8.614 1045 HB2 SER 132 HB2 SER 132 15.623 -11.634 11.087 1046 HB3 SER 132 HB3 SER 132 17.375 -11.427 11.017 1047 HG SER 132 HG SER 132 16.483 -9.502 11.701 1048 H ASP 133 H ASP 133 17.753 -12.716 7.401 1049 HA ASP 133 HA ASP 133 16.502 -15.287 8.062 1050 HB2 ASP 133 HB2 ASP 133 17.810 -14.313 5.521 1051 HB3 ASP 133 HB3 ASP 133 17.334 -15.989 5.783 Start of MODEL 2 1 H1 TYR 1 H1 TYR 1 15.185 -10.134 12.635 2 H2 TYR 1 H2 TYR 1 16.137 -10.844 11.428 3 H3 TYR 1 H3 TYR 1 14.467 -11.124 11.466 4 HA TYR 1 HA TYR 1 15.797 -8.531 10.944 5 HB2 TYR 1 HB2 TYR 1 15.029 -8.734 8.671 6 HB3 TYR 1 HB3 TYR 1 15.871 -10.237 9.071 7 HD1 TYR 1 HD1 TYR 1 14.360 -12.207 9.871 8 HD2 TYR 1 HD2 TYR 1 12.897 -8.823 7.747 9 HE1 TYR 1 HE1 TYR 1 12.398 -13.506 9.161 10 HE2 TYR 1 HE2 TYR 1 10.931 -10.115 7.034 11 HH TYR 1 HH TYR 1 10.134 -13.161 8.383 12 H LYS 2 H LYS 2 14.529 -6.764 11.091 13 HA LYS 2 HA LYS 2 11.815 -7.049 10.188 14 HB2 LYS 2 HB2 LYS 2 11.108 -5.385 12.116 15 HB3 LYS 2 HB3 LYS 2 11.042 -7.124 12.341 16 HG2 LYS 2 HG2 LYS 2 11.963 -6.178 14.302 17 HG3 LYS 2 HG3 LYS 2 13.268 -6.992 13.446 18 HD2 LYS 2 HD2 LYS 2 14.000 -4.817 12.547 19 HD3 LYS 2 HD3 LYS 2 12.722 -4.027 13.473 20 HE2 LYS 2 HE2 LYS 2 14.953 -3.955 14.571 21 HE3 LYS 2 HE3 LYS 2 13.698 -4.722 15.544 22 HZ1 LYS 2 HZ1 LYS 2 14.546 -6.866 14.997 23 HZ2 LYS 2 HZ2 LYS 2 15.859 -5.923 15.518 24 HZ3 LYS 2 HZ3 LYS 2 15.635 -6.223 13.867 25 H LYS 3 H LYS 3 11.130 -5.321 9.102 26 HA LYS 3 HA LYS 3 12.405 -2.763 9.224 27 HB2 LYS 3 HB2 LYS 3 13.100 -4.731 7.104 28 HB3 LYS 3 HB3 LYS 3 12.765 -3.091 6.573 29 HG2 LYS 3 HG2 LYS 3 14.853 -3.877 8.600 30 HG3 LYS 3 HG3 LYS 3 15.154 -3.503 6.902 31 HD2 LYS 3 HD2 LYS 3 13.989 -1.260 7.421 32 HD3 LYS 3 HD3 LYS 3 14.280 -1.674 9.110 33 HE2 LYS 3 HE2 LYS 3 16.354 -1.379 6.944 34 HE3 LYS 3 HE3 LYS 3 16.062 -0.263 8.275 35 HZ1 LYS 3 HZ1 LYS 3 17.067 -3.047 8.486 36 HZ2 LYS 3 HZ2 LYS 3 16.674 -2.065 9.812 37 HZ3 LYS 3 HZ3 LYS 3 17.940 -1.623 8.776 38 HA PRO 4 HA PRO 4 8.594 -1.299 7.353 39 HB2 PRO 4 HB2 PRO 4 9.971 -0.004 5.214 40 HB3 PRO 4 HB3 PRO 4 9.296 0.738 6.665 41 HG2 PRO 4 HG2 PRO 4 12.082 -0.067 6.080 42 HG3 PRO 4 HG3 PRO 4 11.477 1.199 7.163 43 HD2 PRO 4 HD2 PRO 4 12.500 -1.087 8.108 44 HD3 PRO 4 HD3 PRO 4 11.129 -0.284 8.904 45 H LYS 5 H LYS 5 7.329 -2.220 5.909 46 HA LYS 5 HA LYS 5 8.345 -4.350 4.261 47 HB2 LYS 5 HB2 LYS 5 5.541 -3.260 4.625 48 HB3 LYS 5 HB3 LYS 5 5.938 -4.685 3.681 49 HG2 LYS 5 HG2 LYS 5 6.630 -5.873 5.635 50 HG3 LYS 5 HG3 LYS 5 6.497 -4.417 6.627 51 HD2 LYS 5 HD2 LYS 5 4.097 -4.348 6.249 52 HD3 LYS 5 HD3 LYS 5 4.205 -5.748 5.182 53 HE2 LYS 5 HE2 LYS 5 4.763 -7.187 6.974 54 HE3 LYS 5 HE3 LYS 5 5.067 -5.834 8.062 55 HZ1 LYS 5 HZ1 LYS 5 2.907 -6.989 8.424 56 HZ2 LYS 5 HZ2 LYS 5 2.394 -6.437 6.905 57 HZ3 LYS 5 HZ3 LYS 5 2.766 -5.327 8.133 58 H LEU 6 H LEU 6 8.025 -4.524 2.032 59 HA LEU 6 HA LEU 6 7.953 -1.983 0.590 60 HB2 LEU 6 HB2 LEU 6 9.845 -3.141 -0.078 61 HB3 LEU 6 HB3 LEU 6 9.064 -4.702 0.053 62 HG LEU 6 HG LEU 6 8.050 -2.920 -2.088 63 HD11 LEU 6 HD11 LEU 6 10.444 -2.524 -2.267 64 HD12 LEU 6 HD12 LEU 6 10.745 -4.261 -2.228 65 HD13 LEU 6 HD13 LEU 6 9.877 -3.548 -3.586 66 HD21 LEU 6 HD21 LEU 6 8.794 -5.842 -1.962 67 HD22 LEU 6 HD22 LEU 6 7.174 -5.178 -1.741 68 HD23 LEU 6 HD23 LEU 6 7.979 -5.037 -3.304 69 H LEU 7 H LEU 7 6.483 -1.598 -1.078 70 HA LEU 7 HA LEU 7 4.091 -3.271 -0.953 71 HB2 LEU 7 HB2 LEU 7 3.706 -0.907 -0.668 72 HB3 LEU 7 HB3 LEU 7 4.542 -0.550 -2.171 73 HG LEU 7 HG LEU 7 2.393 -2.379 -2.713 74 HD11 LEU 7 HD11 LEU 7 0.505 -0.943 -2.095 75 HD12 LEU 7 HD12 LEU 7 1.367 -1.539 -0.678 76 HD13 LEU 7 HD13 LEU 7 1.605 0.123 -1.221 77 HD21 LEU 7 HD21 LEU 7 3.430 -0.873 -4.344 78 HD22 LEU 7 HD22 LEU 7 1.692 -0.596 -4.241 79 HD23 LEU 7 HD23 LEU 7 2.811 0.523 -3.461 80 H TYR 8 H TYR 8 4.771 -5.027 -2.182 81 HA TYR 8 HA TYR 8 4.912 -4.496 -5.071 82 HB2 TYR 8 HB2 TYR 8 6.551 -6.026 -3.930 83 HB3 TYR 8 HB3 TYR 8 5.215 -7.075 -3.496 84 HD1 TYR 8 HD1 TYR 8 4.183 -8.514 -5.150 85 HD2 TYR 8 HD2 TYR 8 7.398 -5.940 -6.217 86 HE1 TYR 8 HE1 TYR 8 4.454 -9.737 -7.262 87 HE2 TYR 8 HE2 TYR 8 7.684 -7.165 -8.330 88 HH TYR 8 HH TYR 8 7.011 -8.887 -9.571 89 H CYS 9 H CYS 9 2.597 -3.917 -5.382 90 HA CYS 9 HA CYS 9 0.970 -6.392 -5.436 91 HB2 CYS 9 HB2 CYS 9 -0.120 -4.855 -3.969 92 HB3 CYS 9 HB3 CYS 9 0.151 -3.507 -5.065 93 HG CYS 9 HG CYS 9 -2.362 -3.656 -5.691 94 H SER 10 H SER 10 2.047 -6.789 -7.404 95 HA SER 10 HA SER 10 0.459 -5.868 -9.651 96 HB2 SER 10 HB2 SER 10 2.409 -5.980 -11.146 97 HB3 SER 10 HB3 SER 10 2.657 -4.764 -9.890 98 HG SER 10 HG SER 10 3.562 -7.424 -9.558 99 H ASN 11 H ASN 11 -0.179 -7.862 -11.041 100 HA ASN 11 HA ASN 11 1.960 -9.860 -10.667 101 HB2 ASN 11 HB2 ASN 11 -0.291 -10.773 -11.193 102 HB3 ASN 11 HB3 ASN 11 -0.316 -9.839 -12.688 103 HD21 ASN 11 HD21 ASN 11 -0.517 -11.690 -13.946 104 HD22 ASN 11 HD22 ASN 11 0.810 -12.769 -14.216 105 H GLY 12 H GLY 12 3.708 -8.700 -11.211 106 HA2 GLY 12 HA3 GLY 12 4.226 -8.146 -13.973 107 HA3 GLY 12 HA2 GLY 12 4.075 -6.685 -13.007 108 H GLY 13 H GLY 13 5.618 -6.018 -11.849 109 HA2 GLY 13 HA3 GLY 13 7.301 -7.156 -10.136 110 HA3 GLY 13 HA2 GLY 13 8.188 -7.344 -11.648 111 H HIS 14 H HIS 14 6.572 -5.001 -9.628 112 HA HIS 14 HA HIS 14 8.641 -3.016 -10.168 113 HB2 HIS 14 HB2 HIS 14 5.760 -2.701 -10.681 114 HB3 HIS 14 HB3 HIS 14 6.469 -1.406 -9.720 115 HD1 HIS 14 HD1 HIS 14 5.756 -0.082 -12.045 116 HD2 HIS 14 HD2 HIS 14 9.067 -2.586 -12.174 117 HE1 HIS 14 HE1 HIS 14 7.051 0.620 -14.073 118 HE2 HIS 14 HE2 HIS 14 8.958 -1.015 -14.229 119 H PHE 15 H PHE 15 8.484 -1.221 -8.415 120 HA PHE 15 HA PHE 15 7.429 -2.222 -5.887 121 HB2 PHE 15 HB2 PHE 15 10.224 -1.084 -6.103 122 HB3 PHE 15 HB3 PHE 15 9.491 -1.882 -4.716 123 HD1 PHE 15 HD2 PHE 15 9.107 -4.358 -4.791 124 HD2 PHE 15 HD1 PHE 15 11.329 -2.314 -7.785 125 HE1 PHE 15 HE2 PHE 15 10.079 -6.494 -5.524 126 HE2 PHE 15 HE1 PHE 15 12.304 -4.445 -8.527 127 HZ PHE 15 HZ PHE 15 11.679 -6.540 -7.395 128 H LEU 16 H LEU 16 6.532 -0.525 -4.699 129 HA LEU 16 HA LEU 16 6.287 1.954 -6.003 130 HB2 LEU 16 HB2 LEU 16 4.423 1.954 -4.776 131 HB3 LEU 16 HB3 LEU 16 4.999 0.576 -3.862 132 HG LEU 16 HG LEU 16 6.316 2.376 -2.486 133 HD11 LEU 16 HD11 LEU 16 5.835 4.283 -3.890 134 HD12 LEU 16 HD12 LEU 16 4.103 4.048 -3.655 135 HD13 LEU 16 HD13 LEU 16 5.124 4.505 -2.291 136 HD21 LEU 16 HD21 LEU 16 4.570 0.962 -1.571 137 HD22 LEU 16 HD22 LEU 16 4.437 2.609 -0.954 138 HD23 LEU 16 HD23 LEU 16 3.338 2.048 -2.214 139 H ARG 17 H ARG 17 7.038 3.803 -5.636 140 HA ARG 17 HA ARG 17 9.112 4.267 -3.609 141 HB2 ARG 17 HB2 ARG 17 9.130 4.496 -6.553 142 HB3 ARG 17 HB3 ARG 17 9.772 5.896 -5.705 143 HG2 ARG 17 HG2 ARG 17 11.478 4.597 -4.698 144 HG3 ARG 17 HG3 ARG 17 10.729 3.089 -5.238 145 HD2 ARG 17 HD2 ARG 17 12.742 4.052 -6.556 146 HD3 ARG 17 HD3 ARG 17 11.356 3.411 -7.437 147 HE ARG 17 HE ARG 17 10.595 5.807 -7.584 148 HH11 ARG 17 HH12 ARG 17 13.981 4.948 -7.300 149 HH12 ARG 17 HH11 ARG 17 14.538 6.390 -8.106 150 HH21 ARG 17 HH22 ARG 17 11.314 7.688 -8.629 151 HH22 ARG 17 HH21 ARG 17 13.017 7.974 -8.838 152 H ILE 18 H ILE 18 9.050 6.425 -2.730 153 HA ILE 18 HA ILE 18 6.638 7.870 -3.474 154 HB ILE 18 HB ILE 18 6.948 9.249 -1.571 155 HG12 ILE 18 HG12 ILE 18 9.513 7.840 -0.874 156 HG13 ILE 18 HG13 ILE 18 9.497 9.325 -1.820 157 HG21 ILE 18 HG21 ILE 18 5.953 7.088 -1.137 158 HG22 ILE 18 HG22 ILE 18 7.548 6.382 -0.876 159 HG23 ILE 18 HG23 ILE 18 6.923 7.590 0.248 160 HD11 ILE 18 HD11 ILE 18 9.916 9.772 0.530 161 HD12 ILE 18 HD12 ILE 18 8.387 10.484 0.012 162 HD13 ILE 18 HD13 ILE 18 8.391 8.997 0.961 163 H LEU 19 H LEU 19 6.619 9.564 -4.673 164 HA LEU 19 HA LEU 19 9.124 11.007 -5.227 165 HB2 LEU 19 HB2 LEU 19 6.555 10.872 -6.826 166 HB3 LEU 19 HB3 LEU 19 7.951 11.842 -7.250 167 HG LEU 19 HG LEU 19 7.884 8.826 -7.138 168 HD11 LEU 19 HD11 LEU 19 7.972 10.713 -9.486 169 HD12 LEU 19 HD12 LEU 19 8.058 8.953 -9.566 170 HD13 LEU 19 HD13 LEU 19 6.587 9.740 -8.991 171 HD21 LEU 19 HD21 LEU 19 10.102 8.951 -8.150 172 HD22 LEU 19 HD22 LEU 19 10.061 10.711 -8.041 173 HD23 LEU 19 HD23 LEU 19 10.081 9.737 -6.571 174 HA PRO 20 HA PRO 20 7.380 14.392 -3.028 175 HB2 PRO 20 HB2 PRO 20 8.425 16.292 -4.986 176 HB3 PRO 20 HB3 PRO 20 8.930 16.038 -3.312 177 HG2 PRO 20 HG2 PRO 20 10.505 15.352 -5.375 178 HG3 PRO 20 HG3 PRO 20 10.443 14.378 -3.894 179 HD2 PRO 20 HD2 PRO 20 9.068 13.914 -6.523 180 HD3 PRO 20 HD3 PRO 20 9.937 12.754 -5.489 181 H ASP 21 H ASP 21 6.231 13.474 -5.852 182 HA ASP 21 HA ASP 21 4.543 15.760 -6.473 183 HB2 ASP 21 HB2 ASP 21 4.582 13.028 -7.772 184 HB3 ASP 21 HB3 ASP 21 3.804 14.479 -8.393 185 H GLY 22 H GLY 22 4.456 13.004 -4.510 186 HA2 GLY 22 HA3 GLY 22 2.753 12.584 -2.946 187 HA3 GLY 22 HA2 GLY 22 1.637 13.503 -3.943 188 H THR 23 H THR 23 3.698 10.781 -4.960 189 HA THR 23 HA THR 23 1.241 9.375 -5.723 190 HB THR 23 HB THR 23 3.827 8.817 -7.017 191 HG1 THR 23 HG1 THR 23 4.019 10.837 -7.674 192 HG21 THR 23 HG21 THR 23 1.861 7.553 -7.632 193 HG22 THR 23 HG22 THR 23 2.370 8.555 -8.992 194 HG23 THR 23 HG23 THR 23 0.991 9.040 -8.006 195 H VAL 24 H VAL 24 1.030 7.315 -4.991 196 HA VAL 24 HA VAL 24 3.385 5.822 -4.088 197 HB VAL 24 HB VAL 24 0.500 4.964 -4.432 198 HG11 VAL 24 HG11 VAL 24 2.758 3.595 -2.982 199 HG12 VAL 24 HG12 VAL 24 1.073 3.072 -2.999 200 HG13 VAL 24 HG13 VAL 24 2.013 3.063 -4.491 201 HG21 VAL 24 HG21 VAL 24 0.660 6.692 -2.807 202 HG22 VAL 24 HG22 VAL 24 0.411 5.154 -1.976 203 HG23 VAL 24 HG23 VAL 24 2.018 5.884 -2.025 204 H ASP 25 H ASP 25 4.674 5.284 -5.877 205 HA ASP 25 HA ASP 25 3.220 3.807 -7.947 206 HB2 ASP 25 HB2 ASP 25 3.624 5.190 -9.667 207 HB3 ASP 25 HB3 ASP 25 4.018 6.392 -8.448 208 H GLY 26 H GLY 26 4.099 2.237 -9.071 209 HA2 GLY 26 HA3 GLY 26 6.485 1.186 -7.796 210 HA3 GLY 26 HA2 GLY 26 5.485 0.345 -8.952 211 H THR 27 H THR 27 8.271 0.858 -8.583 212 HA THR 27 HA THR 27 9.125 1.497 -11.261 213 HB THR 27 HB THR 27 10.097 2.859 -8.744 214 HG1 THR 27 HG1 THR 27 8.324 3.830 -9.928 215 HG21 THR 27 HG21 THR 27 11.378 2.894 -11.473 216 HG22 THR 27 HG22 THR 27 12.018 2.100 -10.031 217 HG23 THR 27 HG23 THR 27 11.877 3.860 -10.083 218 H ARG 28 H ARG 28 11.096 0.275 -11.763 219 HA ARG 28 HA ARG 28 11.540 -1.679 -9.666 220 HB2 ARG 28 HB2 ARG 28 13.392 -2.503 -11.281 221 HB3 ARG 28 HB3 ARG 28 11.716 -2.735 -11.744 222 HG2 ARG 28 HG2 ARG 28 12.634 -2.008 -13.709 223 HG3 ARG 28 HG3 ARG 28 12.053 -0.490 -13.029 224 HD2 ARG 28 HD2 ARG 28 14.284 0.020 -12.219 225 HD3 ARG 28 HD3 ARG 28 14.878 -1.527 -12.820 226 HE ARG 28 HE ARG 28 14.257 -0.667 -15.090 227 HH11 ARG 28 HH12 ARG 28 15.023 1.521 -12.465 228 HH12 ARG 28 HH11 ARG 28 15.548 2.811 -13.511 229 HH21 ARG 28 HH22 ARG 28 14.954 1.003 -16.477 230 HH22 ARG 28 HH21 ARG 28 15.491 2.517 -15.801 231 H ASP 29 H ASP 29 12.601 -1.168 -8.080 232 HA ASP 29 HA ASP 29 15.100 0.252 -8.195 233 HB2 ASP 29 HB2 ASP 29 12.963 1.705 -7.523 234 HB3 ASP 29 HB3 ASP 29 13.258 0.952 -5.957 235 H ARG 30 H ARG 30 15.863 0.221 -5.749 236 HA ARG 30 HA ARG 30 16.696 -2.538 -5.763 237 HB2 ARG 30 HB2 ARG 30 17.460 -0.029 -4.344 238 HB3 ARG 30 HB3 ARG 30 18.408 -1.531 -4.230 239 HG2 ARG 30 HG2 ARG 30 17.941 0.183 -6.672 240 HG3 ARG 30 HG3 ARG 30 19.465 -0.077 -5.824 241 HD2 ARG 30 HD2 ARG 30 19.556 -2.353 -6.531 242 HD3 ARG 30 HD3 ARG 30 17.913 -2.279 -7.169 243 HE ARG 30 HE ARG 30 19.470 -0.335 -8.458 244 HH11 ARG 30 HH12 ARG 30 19.225 -3.826 -8.274 245 HH12 ARG 30 HH11 ARG 30 19.758 -4.075 -9.905 246 HH21 ARG 30 HH22 ARG 30 20.186 -0.661 -10.602 247 HH22 ARG 30 HH21 ARG 30 20.295 -2.281 -11.232 248 H SER 31 H SER 31 14.066 -1.540 -4.298 249 HA SER 31 HA SER 31 13.089 -1.495 -2.234 250 HB2 SER 31 HB2 SER 31 13.601 -3.940 -2.305 251 HB3 SER 31 HB3 SER 31 15.165 -3.615 -1.565 252 HG SER 31 HG SER 31 14.088 -2.855 0.272 253 H ASP 32 H ASP 32 14.810 0.452 -2.814 254 HA ASP 32 HA ASP 32 17.004 0.662 -0.982 255 HB2 ASP 32 HB2 ASP 32 17.682 2.502 -2.306 256 HB3 ASP 32 HB3 ASP 32 17.018 1.342 -3.453 257 H GLN 33 H GLN 33 17.164 3.230 -0.525 258 HA GLN 33 HA GLN 33 15.474 3.761 1.650 259 HB2 GLN 33 HB2 GLN 33 17.476 5.257 0.050 260 HB3 GLN 33 HB3 GLN 33 16.616 6.065 1.366 261 HG2 GLN 33 HG2 GLN 33 17.463 4.373 2.927 262 HG3 GLN 33 HG3 GLN 33 18.325 3.593 1.602 263 HE21 GLN 33 HE21 GLN 33 19.333 4.762 4.077 264 HE22 GLN 33 HE22 GLN 33 20.491 5.964 3.590 265 H HIS 34 H HIS 34 14.167 3.572 -1.153 266 HA HIS 34 HA HIS 34 12.404 5.862 -0.638 267 HB2 HIS 34 HB2 HIS 34 13.111 4.610 -3.298 268 HB3 HIS 34 HB3 HIS 34 11.767 5.723 -3.074 269 HD1 HIS 34 HD1 HIS 34 15.437 5.582 -3.497 270 HD2 HIS 34 HD2 HIS 34 12.546 8.403 -2.486 271 HE1 HIS 34 HE1 HIS 34 16.558 7.826 -3.727 272 HE2 HIS 34 HE2 HIS 34 14.862 9.489 -2.875 273 H ILE 35 H ILE 35 12.836 2.471 -1.026 274 HA ILE 35 HA ILE 35 10.058 1.898 -1.573 275 HB ILE 35 HB ILE 35 12.597 0.485 -1.532 276 HG12 ILE 35 HG12 ILE 35 11.452 -0.833 -3.314 277 HG13 ILE 35 HG13 ILE 35 9.990 0.094 -2.988 278 HG21 ILE 35 HG21 ILE 35 11.739 -1.760 -1.135 279 HG22 ILE 35 HG22 ILE 35 11.660 -0.758 0.314 280 HG23 ILE 35 HG23 ILE 35 10.197 -1.077 -0.618 281 HD11 ILE 35 HD11 ILE 35 11.126 1.007 -4.890 282 HD12 ILE 35 HD12 ILE 35 11.211 2.151 -3.548 283 HD13 ILE 35 HD13 ILE 35 12.618 1.172 -3.964 284 H GLN 36 H GLN 36 11.424 2.795 1.397 285 HA GLN 36 HA GLN 36 10.382 0.411 2.760 286 HB2 GLN 36 HB2 GLN 36 11.722 0.958 4.654 287 HB3 GLN 36 HB3 GLN 36 12.721 1.127 3.220 288 HG2 GLN 36 HG2 GLN 36 11.363 3.498 4.462 289 HG3 GLN 36 HG3 GLN 36 12.912 2.890 5.068 290 HE21 GLN 36 HE21 GLN 36 11.249 4.393 2.425 291 HE22 GLN 36 HE22 GLN 36 12.664 4.947 1.596 292 H LEU 37 H LEU 37 8.240 0.615 3.054 293 HA LEU 37 HA LEU 37 7.419 2.889 4.729 294 HB2 LEU 37 HB2 LEU 37 5.055 2.155 4.132 295 HB3 LEU 37 HB3 LEU 37 5.986 3.043 2.954 296 HG LEU 37 HG LEU 37 5.900 0.046 2.831 297 HD11 LEU 37 HD11 LEU 37 3.800 1.913 1.735 298 HD12 LEU 37 HD12 LEU 37 3.933 0.192 1.375 299 HD13 LEU 37 HD13 LEU 37 3.571 0.725 3.018 300 HD21 LEU 37 HD21 LEU 37 6.173 0.461 0.440 301 HD22 LEU 37 HD22 LEU 37 6.111 2.200 0.729 302 HD23 LEU 37 HD23 LEU 37 7.449 1.247 1.371 303 H GLN 38 H GLN 38 6.316 2.527 6.571 304 HA GLN 38 HA GLN 38 6.934 -0.115 7.647 305 HB2 GLN 38 HB2 GLN 38 7.623 2.262 8.638 306 HB3 GLN 38 HB3 GLN 38 5.999 2.179 9.335 307 HG2 GLN 38 HG2 GLN 38 8.151 0.107 9.717 308 HG3 GLN 38 HG3 GLN 38 7.736 1.371 10.872 309 HE21 GLN 38 HE21 GLN 38 5.858 1.203 12.058 310 HE22 GLN 38 HE22 GLN 38 4.935 -0.261 12.141 311 H LEU 39 H LEU 39 5.321 -1.506 7.437 312 HA LEU 39 HA LEU 39 2.574 -0.468 7.476 313 HB2 LEU 39 HB2 LEU 39 3.218 -1.231 5.276 314 HB3 LEU 39 HB3 LEU 39 3.766 -2.766 5.921 315 HG LEU 39 HG LEU 39 1.435 -3.334 6.514 316 HD11 LEU 39 HD11 LEU 39 -0.397 -1.953 5.677 317 HD12 LEU 39 HD12 LEU 39 0.588 -1.072 6.848 318 HD13 LEU 39 HD13 LEU 39 0.764 -0.744 5.124 319 HD21 LEU 39 HD21 LEU 39 1.855 -2.525 3.637 320 HD22 LEU 39 HD22 LEU 39 2.338 -4.051 4.374 321 HD23 LEU 39 HD23 LEU 39 0.627 -3.652 4.217 322 H SER 40 H SER 40 2.039 -0.804 9.531 323 HA SER 40 HA SER 40 2.311 -3.522 10.615 324 HB2 SER 40 HB2 SER 40 1.950 -0.894 12.072 325 HB3 SER 40 HB3 SER 40 2.068 -2.478 12.835 326 HG SER 40 HG SER 40 4.121 -2.022 11.116 327 H ALA 41 H ALA 41 0.566 -4.110 12.156 328 HA ALA 41 HA ALA 41 -2.058 -3.026 11.341 329 HB1 ALA 41 HB1 ALA 41 -1.354 -5.720 12.545 330 HB2 ALA 41 HB2 ALA 41 -2.994 -5.151 12.223 331 HB3 ALA 41 HB3 ALA 41 -1.875 -5.418 10.888 332 H GLU 42 H GLU 42 -2.795 -1.605 12.838 333 HA GLU 42 HA GLU 42 -1.156 -1.562 15.275 334 HB2 GLU 42 HB2 GLU 42 -1.155 0.306 13.390 335 HB3 GLU 42 HB3 GLU 42 -2.582 0.870 14.252 336 HG2 GLU 42 HG2 GLU 42 -1.306 1.893 15.718 337 HG3 GLU 42 HG3 GLU 42 -0.556 0.360 16.155 338 H SER 43 H SER 43 -4.406 -0.981 14.032 339 HA SER 43 HA SER 43 -5.433 -1.371 16.756 340 HB2 SER 43 HB2 SER 43 -6.929 -0.156 14.417 341 HB3 SER 43 HB3 SER 43 -7.380 -0.120 16.119 342 HG SER 43 HG SER 43 -6.482 1.840 15.661 343 H VAL 44 H VAL 44 -7.592 -2.577 16.739 344 HA VAL 44 HA VAL 44 -7.144 -5.101 15.628 345 HB VAL 44 HB VAL 44 -9.801 -3.932 16.487 346 HG11 VAL 44 HG11 VAL 44 -10.076 -5.938 15.146 347 HG12 VAL 44 HG12 VAL 44 -8.913 -6.794 16.157 348 HG13 VAL 44 HG13 VAL 44 -10.457 -6.278 16.835 349 HG21 VAL 44 HG21 VAL 44 -7.758 -5.508 18.047 350 HG22 VAL 44 HG22 VAL 44 -8.132 -3.799 18.259 351 HG23 VAL 44 HG23 VAL 44 -9.347 -5.022 18.637 352 H GLY 45 H GLY 45 -7.083 -5.573 13.549 353 HA2 GLY 45 HA3 GLY 45 -8.149 -6.148 11.553 354 HA3 GLY 45 HA2 GLY 45 -9.441 -5.026 11.948 355 H GLU 46 H GLU 46 -7.088 -3.062 12.562 356 HA GLU 46 HA GLU 46 -7.140 -2.032 9.837 357 HB2 GLU 46 HB2 GLU 46 -6.138 -0.328 12.039 358 HB3 GLU 46 HB3 GLU 46 -7.133 0.098 10.652 359 HG2 GLU 46 HG2 GLU 46 -9.011 -1.139 11.743 360 HG3 GLU 46 HG3 GLU 46 -7.971 -1.277 13.163 361 H VAL 47 H VAL 47 -5.423 -1.375 8.745 362 HA VAL 47 HA VAL 47 -2.784 -1.951 9.893 363 HB VAL 47 HB VAL 47 -1.966 -2.018 7.506 364 HG11 VAL 47 HG11 VAL 47 -2.142 -4.009 8.867 365 HG12 VAL 47 HG12 VAL 47 -3.851 -4.168 8.460 366 HG13 VAL 47 HG13 VAL 47 -2.624 -4.368 7.209 367 HG21 VAL 47 HG21 VAL 47 -4.916 -2.345 6.952 368 HG22 VAL 47 HG22 VAL 47 -3.891 -1.013 6.416 369 HG23 VAL 47 HG23 VAL 47 -3.619 -2.640 5.792 370 H TYR 48 H TYR 48 -1.157 -0.493 9.603 371 HA TYR 48 HA TYR 48 -2.109 2.216 8.924 372 HB2 TYR 48 HB2 TYR 48 -1.638 1.602 11.403 373 HB3 TYR 48 HB3 TYR 48 0.056 1.619 10.936 374 HD1 TYR 48 HD1 TYR 48 1.058 3.746 10.077 375 HD2 TYR 48 HD2 TYR 48 -2.809 3.626 11.838 376 HE1 TYR 48 HE1 TYR 48 1.136 6.180 10.391 377 HE2 TYR 48 HE2 TYR 48 -2.742 6.064 12.165 378 HH TYR 48 HH TYR 48 -0.444 8.044 10.641 379 H ILE 49 H ILE 49 -1.032 3.141 7.348 380 HA ILE 49 HA ILE 49 1.467 1.915 6.426 381 HB ILE 49 HB ILE 49 -0.407 3.730 4.892 382 HG12 ILE 49 HG12 ILE 49 -0.099 0.721 4.739 383 HG13 ILE 49 HG13 ILE 49 -1.447 1.558 5.500 384 HG21 ILE 49 HG21 ILE 49 0.859 2.961 2.932 385 HG22 ILE 49 HG22 ILE 49 1.892 3.796 4.093 386 HG23 ILE 49 HG23 ILE 49 1.923 2.035 3.991 387 HD11 ILE 49 HD11 ILE 49 -2.067 2.514 3.344 388 HD12 ILE 49 HD12 ILE 49 -0.714 1.673 2.585 389 HD13 ILE 49 HD13 ILE 49 -2.039 0.751 3.294 390 H LYS 50 H LYS 50 3.104 2.944 7.333 391 HA LYS 50 HA LYS 50 2.980 5.874 7.458 392 HB2 LYS 50 HB2 LYS 50 4.184 5.764 9.606 393 HB3 LYS 50 HB3 LYS 50 2.621 4.965 9.683 394 HG2 LYS 50 HG2 LYS 50 4.298 2.908 9.023 395 HG3 LYS 50 HG3 LYS 50 5.306 3.898 10.076 396 HD2 LYS 50 HD2 LYS 50 2.546 2.877 10.753 397 HD3 LYS 50 HD3 LYS 50 4.058 2.168 11.313 398 HE2 LYS 50 HE2 LYS 50 4.594 4.350 12.400 399 HE3 LYS 50 HE3 LYS 50 2.982 4.912 11.956 400 HZ1 LYS 50 HZ1 LYS 50 3.585 2.572 13.695 401 HZ2 LYS 50 HZ2 LYS 50 2.029 3.109 13.281 402 HZ3 LYS 50 HZ3 LYS 50 3.040 4.084 14.231 403 H SER 51 H SER 51 4.929 6.976 7.130 404 HA SER 51 HA SER 51 6.890 5.639 5.551 405 HB2 SER 51 HB2 SER 51 7.028 8.395 6.807 406 HB3 SER 51 HB3 SER 51 7.958 7.812 5.431 407 HG SER 51 HG SER 51 6.009 9.195 5.072 408 H THR 52 H THR 52 8.783 4.821 6.197 409 HA THR 52 HA THR 52 9.679 5.202 8.893 410 HB THR 52 HB THR 52 11.475 4.492 6.569 411 HG1 THR 52 HG1 THR 52 10.296 2.364 7.834 412 HG21 THR 52 HG21 THR 52 12.484 4.753 8.785 413 HG22 THR 52 HG22 THR 52 12.554 3.074 8.249 414 HG23 THR 52 HG23 THR 52 11.351 3.571 9.439 415 H GLU 53 H GLU 53 12.027 5.984 6.479 416 HA GLU 53 HA GLU 53 11.645 8.823 7.138 417 HB2 GLU 53 HB2 GLU 53 13.966 8.108 7.183 418 HB3 GLU 53 HB3 GLU 53 13.844 7.504 5.535 419 HG2 GLU 53 HG2 GLU 53 13.532 9.725 4.682 420 HG3 GLU 53 HG3 GLU 53 13.462 10.384 6.313 421 H THR 54 H THR 54 11.769 6.669 4.374 422 HA THR 54 HA THR 54 10.581 8.722 2.659 423 HB THR 54 HB THR 54 11.778 6.495 1.263 424 HG1 THR 54 HG1 THR 54 13.950 7.096 1.902 425 HG21 THR 54 HG21 THR 54 12.954 8.310 0.105 426 HG22 THR 54 HG22 THR 54 12.374 9.460 1.310 427 HG23 THR 54 HG23 THR 54 11.230 8.657 0.235 428 H GLY 55 H GLY 55 8.849 6.775 4.291 429 HA2 GLY 55 HA3 GLY 55 8.595 4.630 2.337 430 HA3 GLY 55 HA2 GLY 55 8.060 4.558 3.993 431 H GLN 56 H GLN 56 6.327 7.033 3.731 432 HA GLN 56 HA GLN 56 4.894 7.350 1.437 433 HB2 GLN 56 HB2 GLN 56 4.324 4.727 2.437 434 HB3 GLN 56 HB3 GLN 56 2.871 5.711 2.561 435 HG2 GLN 56 HG2 GLN 56 4.473 5.077 0.106 436 HG3 GLN 56 HG3 GLN 56 2.794 4.656 0.460 437 HE21 GLN 56 HE21 GLN 56 1.249 6.324 0.501 438 HE22 GLN 56 HE22 GLN 56 1.494 7.772 -0.401 439 H TYR 57 H TYR 57 3.655 9.070 1.760 440 HA TYR 57 HA TYR 57 2.180 9.289 4.277 441 HB2 TYR 57 HB2 TYR 57 3.192 11.378 3.824 442 HB3 TYR 57 HB3 TYR 57 2.753 11.332 2.138 443 HD1 TYR 57 HD1 TYR 57 0.718 10.936 5.263 444 HD2 TYR 57 HD2 TYR 57 1.394 13.134 1.682 445 HE1 TYR 57 HE1 TYR 57 -1.277 12.299 5.729 446 HE2 TYR 57 HE2 TYR 57 -0.598 14.499 2.136 447 HH TYR 57 HH TYR 57 -2.677 13.863 4.945 448 H LEU 58 H LEU 58 1.083 7.357 3.485 449 HA LEU 58 HA LEU 58 -0.419 7.671 1.090 450 HB2 LEU 58 HB2 LEU 58 0.381 5.488 2.618 451 HB3 LEU 58 HB3 LEU 58 -1.370 5.510 2.765 452 HG LEU 58 HG LEU 58 -0.003 5.718 0.096 453 HD11 LEU 58 HD11 LEU 58 -0.367 3.306 -0.180 454 HD12 LEU 58 HD12 LEU 58 0.769 3.646 1.126 455 HD13 LEU 58 HD13 LEU 58 -0.895 3.194 1.498 456 HD21 LEU 58 HD21 LEU 58 -2.338 6.385 0.176 457 HD22 LEU 58 HD22 LEU 58 -2.156 4.881 -0.726 458 HD23 LEU 58 HD23 LEU 58 -2.772 4.850 0.926 459 H ALA 59 H ALA 59 -2.328 8.285 0.829 460 HA ALA 59 HA ALA 59 -3.932 9.121 3.099 461 HB1 ALA 59 HB1 ALA 59 -4.070 11.402 2.244 462 HB2 ALA 59 HB2 ALA 59 -2.386 10.978 2.566 463 HB3 ALA 59 HB3 ALA 59 -2.991 10.986 0.908 464 H MET 60 H MET 60 -5.985 8.669 2.703 465 HA MET 60 HA MET 60 -6.745 7.833 0.053 466 HB2 MET 60 HB2 MET 60 -8.636 6.932 1.083 467 HB3 MET 60 HB3 MET 60 -7.528 7.000 2.461 468 HG2 MET 60 HG2 MET 60 -9.557 9.132 1.833 469 HG3 MET 60 HG3 MET 60 -9.832 7.794 2.947 470 HE1 MET 60 HE1 MET 60 -10.463 10.146 4.489 471 HE2 MET 60 HE2 MET 60 -9.202 11.286 4.956 472 HE3 MET 60 HE3 MET 60 -9.737 11.202 3.278 473 H ASP 61 H ASP 61 -8.092 8.931 -1.372 474 HA ASP 61 HA ASP 61 -8.351 11.800 -0.783 475 HB2 ASP 61 HB2 ASP 61 -7.161 11.001 -2.893 476 HB3 ASP 61 HB3 ASP 61 -8.746 10.475 -3.448 477 H THR 62 H THR 62 -10.105 11.209 0.606 478 HA THR 62 HA THR 62 -12.283 11.242 1.157 479 HB THR 62 HB THR 62 -12.853 11.167 -1.802 480 HG1 THR 62 HG1 THR 62 -11.814 13.111 -0.266 481 HG21 THR 62 HG21 THR 62 -14.753 10.516 -0.418 482 HG22 THR 62 HG22 THR 62 -15.029 12.105 -1.134 483 HG23 THR 62 HG23 THR 62 -14.547 11.969 0.557 484 H ASP 63 H ASP 63 -11.932 9.257 -1.761 485 HA ASP 63 HA ASP 63 -11.180 6.937 -0.455 486 HB2 ASP 63 HB2 ASP 63 -13.763 7.317 0.135 487 HB3 ASP 63 HB3 ASP 63 -13.956 6.434 -1.374 488 H GLY 64 H GLY 64 -11.642 8.737 -3.112 489 HA2 GLY 64 HA3 GLY 64 -12.276 6.612 -4.984 490 HA3 GLY 64 HA2 GLY 64 -12.294 8.335 -5.327 491 H LEU 65 H LEU 65 -9.582 8.555 -3.974 492 HA LEU 65 HA LEU 65 -7.956 6.829 -5.687 493 HB2 LEU 65 HB2 LEU 65 -6.944 9.574 -5.181 494 HB3 LEU 65 HB3 LEU 65 -6.526 8.431 -6.463 495 HG LEU 65 HG LEU 65 -9.167 9.919 -6.374 496 HD11 LEU 65 HD11 LEU 65 -8.187 11.510 -7.943 497 HD12 LEU 65 HD12 LEU 65 -7.351 11.549 -6.390 498 HD13 LEU 65 HD13 LEU 65 -6.617 10.725 -7.767 499 HD21 LEU 65 HD21 LEU 65 -9.075 7.946 -7.814 500 HD22 LEU 65 HD22 LEU 65 -9.196 9.434 -8.755 501 HD23 LEU 65 HD23 LEU 65 -7.648 8.603 -8.616 502 H LEU 66 H LEU 66 -5.710 6.771 -4.927 503 HA LEU 66 HA LEU 66 -5.393 7.606 -2.137 504 HB2 LEU 66 HB2 LEU 66 -3.786 5.440 -2.256 505 HB3 LEU 66 HB3 LEU 66 -5.411 5.446 -1.608 506 HG LEU 66 HG LEU 66 -4.780 3.584 -3.156 507 HD11 LEU 66 HD11 LEU 66 -7.057 3.883 -2.566 508 HD12 LEU 66 HD12 LEU 66 -7.231 5.192 -3.736 509 HD13 LEU 66 HD13 LEU 66 -6.975 3.539 -4.296 510 HD21 LEU 66 HD21 LEU 66 -5.487 4.558 -5.650 511 HD22 LEU 66 HD22 LEU 66 -4.344 5.748 -4.993 512 HD23 LEU 66 HD23 LEU 66 -3.877 4.056 -5.108 513 H TYR 67 H TYR 67 -3.908 9.038 -2.015 514 HA TYR 67 HA TYR 67 -1.499 8.744 -3.713 515 HB2 TYR 67 HB2 TYR 67 -1.427 11.143 -4.104 516 HB3 TYR 67 HB3 TYR 67 -2.991 10.518 -4.622 517 HD1 TYR 67 HD1 TYR 67 -4.982 10.825 -3.067 518 HD2 TYR 67 HD2 TYR 67 -1.299 12.890 -2.537 519 HE1 TYR 67 HE1 TYR 67 -6.125 12.499 -1.677 520 HE2 TYR 67 HE2 TYR 67 -2.432 14.565 -1.143 521 HH TYR 67 HH TYR 67 -4.763 15.461 -0.882 522 H GLY 68 H GLY 68 0.470 9.358 -2.714 523 HA2 GLY 68 HA3 GLY 68 0.447 10.696 -0.193 524 HA3 GLY 68 HA2 GLY 68 0.710 8.970 0.002 525 H SER 69 H SER 69 2.560 11.204 0.609 526 HA SER 69 HA SER 69 4.692 9.580 -0.513 527 HB2 SER 69 HB2 SER 69 4.853 12.570 -0.689 528 HB3 SER 69 HB3 SER 69 6.107 11.434 -1.189 529 HG SER 69 HG SER 69 3.995 10.601 -2.411 530 H GLN 70 H GLN 70 4.336 12.363 1.772 531 HA GLN 70 HA GLN 70 7.066 11.824 2.591 532 HB2 GLN 70 HB2 GLN 70 5.212 14.072 3.320 533 HB3 GLN 70 HB3 GLN 70 6.886 13.950 3.847 534 HG2 GLN 70 HG2 GLN 70 7.602 13.946 1.492 535 HG3 GLN 70 HG3 GLN 70 5.921 14.154 1.003 536 HE21 GLN 70 HE21 GLN 70 4.908 16.131 1.348 537 HE22 GLN 70 HE22 GLN 70 5.795 17.567 1.714 538 H THR 71 H THR 71 3.956 11.653 4.231 539 HA THR 71 HA THR 71 5.360 11.217 6.803 540 HB THR 71 HB THR 71 3.209 12.557 7.634 541 HG1 THR 71 HG1 THR 71 2.587 14.103 6.143 542 HG21 THR 71 HG21 THR 71 5.696 13.850 6.505 543 HG22 THR 71 HG22 THR 71 5.531 13.161 8.120 544 HG23 THR 71 HG23 THR 71 4.596 14.588 7.669 545 HA PRO 72 HA PRO 72 1.604 8.646 7.273 546 HB2 PRO 72 HB2 PRO 72 1.955 7.695 9.729 547 HB3 PRO 72 HB3 PRO 72 3.103 7.318 8.435 548 HG2 PRO 72 HG2 PRO 72 3.489 9.033 10.797 549 HG3 PRO 72 HG3 PRO 72 4.705 8.345 9.708 550 HD2 PRO 72 HD2 PRO 72 3.473 11.021 9.665 551 HD3 PRO 72 HD3 PRO 72 4.932 10.443 8.824 552 H ASN 73 H ASN 73 -0.257 9.988 7.328 553 HA ASN 73 HA ASN 73 -1.039 11.113 9.933 554 HB2 ASN 73 HB2 ASN 73 -1.315 12.429 7.725 555 HB3 ASN 73 HB3 ASN 73 -2.587 11.279 7.331 556 HD21 ASN 73 HD21 ASN 73 -4.087 12.990 7.283 557 HD22 ASN 73 HD22 ASN 73 -4.701 13.685 8.755 558 H GLU 74 H GLU 74 -3.593 10.373 10.470 559 HA GLU 74 HA GLU 74 -3.740 7.846 8.991 560 HB2 GLU 74 HB2 GLU 74 -5.777 7.379 10.432 561 HB3 GLU 74 HB3 GLU 74 -4.239 7.403 11.277 562 HG2 GLU 74 HG2 GLU 74 -5.966 9.841 11.195 563 HG3 GLU 74 HG3 GLU 74 -6.296 8.539 12.336 564 H GLU 75 H GLU 75 -4.037 8.632 7.228 565 HA GLU 75 HA GLU 75 -6.831 8.932 6.485 566 HB2 GLU 75 HB2 GLU 75 -4.340 9.976 5.112 567 HB3 GLU 75 HB3 GLU 75 -5.928 9.935 4.347 568 HG2 GLU 75 HG2 GLU 75 -6.808 11.483 5.964 569 HG3 GLU 75 HG3 GLU 75 -5.304 11.437 6.879 570 H CYS 76 H CYS 76 -3.673 7.552 6.393 571 HA CYS 76 HA CYS 76 -4.027 5.846 4.147 572 HB2 CYS 76 HB2 CYS 76 -1.934 4.804 4.928 573 HB3 CYS 76 HB3 CYS 76 -1.819 6.563 4.937 574 HG CYS 76 HG CYS 76 -0.444 5.714 7.155 575 H LEU 77 H LEU 77 -5.747 5.667 6.871 576 HA LEU 77 HA LEU 77 -5.120 3.013 7.747 577 HB2 LEU 77 HB2 LEU 77 -7.147 5.064 8.538 578 HB3 LEU 77 HB3 LEU 77 -7.354 3.399 9.048 579 HG LEU 77 HG LEU 77 -4.973 5.144 9.685 580 HD11 LEU 77 HD11 LEU 77 -7.252 4.175 11.406 581 HD12 LEU 77 HD12 LEU 77 -5.835 5.057 11.976 582 HD13 LEU 77 HD13 LEU 77 -6.975 5.835 10.881 583 HD21 LEU 77 HD21 LEU 77 -5.676 2.352 10.584 584 HD22 LEU 77 HD22 LEU 77 -4.377 2.785 9.471 585 HD23 LEU 77 HD23 LEU 77 -4.309 3.310 11.155 586 H PHE 78 H PHE 78 -5.774 1.286 6.806 587 HA PHE 78 HA PHE 78 -8.460 1.237 5.710 588 HB2 PHE 78 HB2 PHE 78 -6.178 -0.147 4.289 589 HB3 PHE 78 HB3 PHE 78 -7.822 0.046 3.735 590 HD1 PHE 78 HD2 PHE 78 -8.605 2.573 3.501 591 HD2 PHE 78 HD1 PHE 78 -4.567 1.227 3.402 592 HE1 PHE 78 HE2 PHE 78 -7.962 4.605 2.274 593 HE2 PHE 78 HE1 PHE 78 -3.919 3.256 2.172 594 HZ PHE 78 HZ PHE 78 -5.617 4.949 1.608 595 H LEU 79 H LEU 79 -9.163 -1.159 5.433 596 HA LEU 79 HA LEU 79 -8.294 -2.504 7.894 597 HB2 LEU 79 HB2 LEU 79 -10.710 -1.982 7.567 598 HB3 LEU 79 HB3 LEU 79 -10.719 -3.041 6.173 599 HG LEU 79 HG LEU 79 -9.889 -4.159 8.822 600 HD11 LEU 79 HD11 LEU 79 -11.931 -2.929 9.313 601 HD12 LEU 79 HD12 LEU 79 -12.737 -3.695 7.945 602 HD13 LEU 79 HD13 LEU 79 -12.233 -4.666 9.328 603 HD21 LEU 79 HD21 LEU 79 -9.708 -5.540 6.808 604 HD22 LEU 79 HD22 LEU 79 -10.930 -6.173 7.912 605 HD23 LEU 79 HD23 LEU 79 -11.421 -5.279 6.474 606 H GLU 80 H GLU 80 -7.406 -4.537 7.874 607 HA GLU 80 HA GLU 80 -6.363 -5.305 5.251 608 HB2 GLU 80 HB2 GLU 80 -4.725 -4.923 7.030 609 HB3 GLU 80 HB3 GLU 80 -5.506 -6.141 8.029 610 HG2 GLU 80 HG2 GLU 80 -4.992 -7.791 6.170 611 HG3 GLU 80 HG3 GLU 80 -3.964 -6.536 5.481 612 H ARG 81 H ARG 81 -6.900 -7.085 4.268 613 HA ARG 81 HA ARG 81 -8.537 -9.072 5.673 614 HB2 ARG 81 HB2 ARG 81 -9.926 -8.110 4.000 615 HB3 ARG 81 HB3 ARG 81 -8.620 -8.083 2.822 616 HG2 ARG 81 HG2 ARG 81 -8.648 -10.569 2.823 617 HG3 ARG 81 HG3 ARG 81 -10.067 -10.504 3.869 618 HD2 ARG 81 HD2 ARG 81 -11.403 -9.583 2.202 619 HD3 ARG 81 HD3 ARG 81 -10.013 -9.047 1.254 620 HE ARG 81 HE ARG 81 -9.951 -11.850 1.460 621 HH11 ARG 81 HH12 ARG 81 -11.964 -9.373 0.024 622 HH12 ARG 81 HH11 ARG 81 -12.304 -10.301 -1.409 623 HH21 ARG 81 HH22 ARG 81 -10.409 -13.082 -0.403 624 HH22 ARG 81 HH21 ARG 81 -11.458 -12.436 -1.628 625 H LEU 82 H LEU 82 -7.605 -10.992 5.851 626 HA LEU 82 HA LEU 82 -5.165 -11.458 4.348 627 HB2 LEU 82 HB2 LEU 82 -6.381 -12.857 6.715 628 HB3 LEU 82 HB3 LEU 82 -4.992 -13.495 5.853 629 HG LEU 82 HG LEU 82 -5.120 -10.838 7.276 630 HD11 LEU 82 HD11 LEU 82 -3.638 -13.380 7.937 631 HD12 LEU 82 HD12 LEU 82 -3.510 -11.853 8.812 632 HD13 LEU 82 HD13 LEU 82 -5.036 -12.739 8.801 633 HD21 LEU 82 HD21 LEU 82 -2.838 -12.175 5.829 634 HD22 LEU 82 HD22 LEU 82 -3.692 -10.721 5.312 635 HD23 LEU 82 HD23 LEU 82 -2.724 -10.698 6.786 636 H GLU 83 H GLU 83 -5.521 -12.182 2.410 637 HA GLU 83 HA GLU 83 -7.317 -14.399 1.909 638 HB2 GLU 83 HB2 GLU 83 -6.956 -12.710 0.157 639 HB3 GLU 83 HB3 GLU 83 -5.229 -13.014 0.191 640 HG2 GLU 83 HG2 GLU 83 -6.407 -14.006 -1.743 641 HG3 GLU 83 HG3 GLU 83 -5.509 -15.169 -0.769 642 H GLU 84 H GLU 84 -6.568 -16.598 1.880 643 HA GLU 84 HA GLU 84 -4.350 -16.600 3.748 644 HB2 GLU 84 HB2 GLU 84 -5.235 -19.078 4.044 645 HB3 GLU 84 HB3 GLU 84 -6.006 -17.707 4.820 646 HG2 GLU 84 HG2 GLU 84 -7.796 -18.879 3.983 647 HG3 GLU 84 HG3 GLU 84 -7.524 -17.671 2.732 648 H ASN 85 H ASN 85 -2.461 -17.100 3.281 649 HA ASN 85 HA ASN 85 -0.614 -17.886 2.274 650 HB2 ASN 85 HB2 ASN 85 -2.333 -20.311 1.692 651 HB3 ASN 85 HB3 ASN 85 -0.572 -20.268 1.631 652 HD21 ASN 85 HD21 ASN 85 -3.364 -20.423 3.647 653 HD22 ASN 85 HD22 ASN 85 -2.538 -20.679 5.145 654 H HIS 86 H HIS 86 -2.684 -16.507 0.804 655 HA HIS 86 HA HIS 86 -1.719 -17.068 -1.871 656 HB2 HIS 86 HB2 HIS 86 -4.388 -15.938 -1.050 657 HB3 HIS 86 HB3 HIS 86 -3.814 -15.972 -2.712 658 HD1 HIS 86 HD1 HIS 86 -6.244 -17.605 -1.029 659 HD2 HIS 86 HD2 HIS 86 -2.826 -19.046 -2.928 660 HE1 HIS 86 HE1 HIS 86 -6.732 -20.009 -1.590 661 HE2 HIS 86 HE2 HIS 86 -4.592 -20.901 -2.578 662 H TYR 87 H TYR 87 -3.092 -14.384 0.030 663 HA TYR 87 HA TYR 87 -1.115 -12.514 -0.915 664 HB2 TYR 87 HB2 TYR 87 -3.861 -12.519 -2.160 665 HB3 TYR 87 HB3 TYR 87 -2.888 -11.058 -2.080 666 HD1 TYR 87 HD1 TYR 87 -0.532 -11.180 -3.143 667 HD2 TYR 87 HD2 TYR 87 -3.631 -13.979 -3.955 668 HE1 TYR 87 HE1 TYR 87 0.598 -11.818 -5.231 669 HE2 TYR 87 HE2 TYR 87 -2.508 -14.627 -6.043 670 HH TYR 87 HH TYR 87 0.691 -13.702 -6.771 671 H ASN 88 H ASN 88 -1.479 -10.317 -0.156 672 HA ASN 88 HA ASN 88 -3.281 -10.138 2.165 673 HB2 ASN 88 HB2 ASN 88 -0.910 -8.553 1.215 674 HB3 ASN 88 HB3 ASN 88 -2.083 -7.808 2.289 675 HD21 ASN 88 HD21 ASN 88 -1.266 -11.199 2.419 676 HD22 ASN 88 HD22 ASN 88 -0.438 -11.138 3.934 677 H THR 89 H THR 89 -4.983 -8.768 2.207 678 HA THR 89 HA THR 89 -5.528 -7.242 -0.253 679 HB THR 89 HB THR 89 -7.666 -8.501 1.476 680 HG1 THR 89 HG1 THR 89 -6.135 -9.615 -0.634 681 HG21 THR 89 HG21 THR 89 -7.614 -7.540 -1.395 682 HG22 THR 89 HG22 THR 89 -8.386 -6.717 -0.038 683 HG23 THR 89 HG23 THR 89 -9.002 -8.276 -0.591 684 H TYR 90 H TYR 90 -6.892 -5.310 0.138 685 HA TYR 90 HA TYR 90 -7.051 -4.465 2.929 686 HB2 TYR 90 HB2 TYR 90 -5.635 -2.840 0.802 687 HB3 TYR 90 HB3 TYR 90 -6.012 -2.273 2.424 688 HD1 TYR 90 HD1 TYR 90 -4.988 -3.577 4.391 689 HD2 TYR 90 HD2 TYR 90 -3.626 -3.955 0.379 690 HE1 TYR 90 HE1 TYR 90 -2.864 -4.515 5.202 691 HE2 TYR 90 HE2 TYR 90 -1.502 -4.890 1.181 692 HH TYR 90 HH TYR 90 -1.050 -5.908 4.406 693 H ILE 91 H ILE 91 -8.864 -3.341 3.357 694 HA ILE 91 HA ILE 91 -10.419 -2.366 1.058 695 HB ILE 91 HB ILE 91 -11.298 -4.250 2.636 696 HG12 ILE 91 HG12 ILE 91 -13.018 -1.847 1.994 697 HG13 ILE 91 HG13 ILE 91 -12.599 -3.128 0.861 698 HG21 ILE 91 HG21 ILE 91 -11.937 -1.809 4.278 699 HG22 ILE 91 HG22 ILE 91 -12.587 -3.427 4.544 700 HG23 ILE 91 HG23 ILE 91 -10.859 -3.127 4.740 701 HD11 ILE 91 HD11 ILE 91 -14.200 -3.459 3.383 702 HD12 ILE 91 HD12 ILE 91 -14.841 -3.420 1.742 703 HD13 ILE 91 HD13 ILE 91 -13.787 -4.741 2.246 704 H SER 92 H SER 92 -11.525 -0.362 1.330 705 HA SER 92 HA SER 92 -9.921 1.532 2.821 706 HB2 SER 92 HB2 SER 92 -10.516 1.896 0.411 707 HB3 SER 92 HB3 SER 92 -12.198 2.070 0.913 708 HG SER 92 HG SER 92 -11.531 4.095 0.979 709 H LYS 93 H LYS 93 -10.434 1.479 4.879 710 HA LYS 93 HA LYS 93 -13.158 1.179 5.718 711 HB2 LYS 93 HB2 LYS 93 -12.281 1.226 7.990 712 HB3 LYS 93 HB3 LYS 93 -11.374 0.106 6.987 713 HG2 LYS 93 HG2 LYS 93 -9.525 1.080 7.710 714 HG3 LYS 93 HG3 LYS 93 -9.993 2.520 6.803 715 HD2 LYS 93 HD2 LYS 93 -9.482 2.959 9.203 716 HD3 LYS 93 HD3 LYS 93 -11.112 3.436 8.722 717 HE2 LYS 93 HE2 LYS 93 -12.049 1.466 9.715 718 HE3 LYS 93 HE3 LYS 93 -10.445 0.810 10.039 719 HZ1 LYS 93 HZ1 LYS 93 -11.319 3.381 11.210 720 HZ2 LYS 93 HZ2 LYS 93 -10.072 2.343 11.722 721 HZ3 LYS 93 HZ3 LYS 93 -11.697 1.898 11.947 722 H LYS 94 H LYS 94 -11.500 3.756 4.553 723 HA LYS 94 HA LYS 94 -12.318 5.897 6.126 724 HB2 LYS 94 HB2 LYS 94 -10.916 6.317 4.156 725 HB3 LYS 94 HB3 LYS 94 -12.168 5.675 3.102 726 HG2 LYS 94 HG2 LYS 94 -12.161 8.065 2.946 727 HG3 LYS 94 HG3 LYS 94 -13.634 7.549 3.787 728 HD2 LYS 94 HD2 LYS 94 -12.433 7.959 5.958 729 HD3 LYS 94 HD3 LYS 94 -11.135 8.698 5.021 730 HE2 LYS 94 HE2 LYS 94 -12.540 10.448 5.816 731 HE3 LYS 94 HE3 LYS 94 -12.819 10.284 4.083 732 HZ1 LYS 94 HZ1 LYS 94 -14.879 10.558 5.364 733 HZ2 LYS 94 HZ2 LYS 94 -14.554 9.112 6.192 734 HZ3 LYS 94 HZ3 LYS 94 -14.843 9.086 4.524 735 H HIS 95 H HIS 95 -13.963 5.003 3.113 736 HA HIS 95 HA HIS 95 -16.448 5.371 4.619 737 HB2 HIS 95 HB2 HIS 95 -17.599 5.977 2.708 738 HB3 HIS 95 HB3 HIS 95 -16.006 6.660 2.430 739 HD1 HIS 95 HD1 HIS 95 -14.826 3.805 1.434 740 HD2 HIS 95 HD2 HIS 95 -18.150 5.844 0.014 741 HE1 HIS 95 HE1 HIS 95 -15.283 2.850 -0.830 742 HE2 HIS 95 HE2 HIS 95 -17.199 4.207 -1.739 743 H ALA 96 H ALA 96 -15.198 3.185 5.307 744 HA ALA 96 HA ALA 96 -15.092 0.859 3.983 745 HB1 ALA 96 HB1 ALA 96 -14.383 1.178 6.308 746 HB2 ALA 96 HB2 ALA 96 -16.071 1.095 6.818 747 HB3 ALA 96 HB3 ALA 96 -15.302 -0.311 6.086 748 H GLU 97 H GLU 97 -18.027 2.129 5.453 749 HA GLU 97 HA GLU 97 -19.639 -0.128 5.319 750 HB2 GLU 97 HB2 GLU 97 -20.309 1.864 6.528 751 HB3 GLU 97 HB3 GLU 97 -20.404 2.779 5.031 752 HG2 GLU 97 HG2 GLU 97 -22.202 1.168 4.300 753 HG3 GLU 97 HG3 GLU 97 -22.203 0.558 5.953 754 H LYS 98 H LYS 98 -18.592 1.942 2.709 755 HA LYS 98 HA LYS 98 -20.861 1.125 1.054 756 HB2 LYS 98 HB2 LYS 98 -18.645 3.108 0.599 757 HB3 LYS 98 HB3 LYS 98 -19.787 2.662 -0.659 758 HG2 LYS 98 HG2 LYS 98 -20.568 4.680 0.284 759 HG3 LYS 98 HG3 LYS 98 -21.626 3.405 0.886 760 HD2 LYS 98 HD2 LYS 98 -20.490 3.401 3.013 761 HD3 LYS 98 HD3 LYS 98 -19.287 4.544 2.414 762 HE2 LYS 98 HE2 LYS 98 -20.899 5.708 3.785 763 HE3 LYS 98 HE3 LYS 98 -21.069 6.219 2.106 764 HZ1 LYS 98 HZ1 LYS 98 -23.226 5.877 3.020 765 HZ2 LYS 98 HZ2 LYS 98 -22.821 4.332 3.589 766 HZ3 LYS 98 HZ3 LYS 98 -22.938 4.621 1.920 767 H ASN 99 H ASN 99 -17.797 -0.084 1.688 768 HA ASN 99 HA ASN 99 -17.127 -2.168 1.094 769 HB2 ASN 99 HB2 ASN 99 -19.571 -2.542 0.536 770 HB3 ASN 99 HB3 ASN 99 -19.149 -2.209 -1.139 771 HD21 ASN 99 HD21 ASN 99 -19.752 -4.302 -1.755 772 HD22 ASN 99 HD22 ASN 99 -18.766 -5.680 -1.393 773 H TRP 100 H TRP 100 -16.244 0.444 -0.365 774 HA TRP 100 HA TRP 100 -15.104 -0.639 -2.782 775 HB2 TRP 100 HB2 TRP 100 -14.535 1.865 -1.214 776 HB3 TRP 100 HB3 TRP 100 -13.528 1.375 -2.561 777 HD1 TRP 100 HD1 TRP 100 -16.960 0.600 -3.629 778 HE1 TRP 100 HE1 TRP 100 -17.932 2.552 -5.032 779 HE3 TRP 100 HE3 TRP 100 -13.514 4.141 -2.498 780 HZ2 TRP 100 HZ2 TRP 100 -17.256 5.286 -5.568 781 HZ3 TRP 100 HZ3 TRP 100 -13.715 6.381 -3.464 782 HH2 TRP 100 HH2 TRP 100 -15.526 6.960 -4.950 783 H PHE 101 H PHE 101 -12.961 -1.212 -3.109 784 HA PHE 101 HA PHE 101 -11.530 -2.076 -0.685 785 HB2 PHE 101 HB2 PHE 101 -11.118 -2.838 -3.595 786 HB3 PHE 101 HB3 PHE 101 -10.169 -3.449 -2.248 787 HD1 PHE 101 HD1 PHE 101 -13.723 -3.233 -3.369 788 HD2 PHE 101 HD2 PHE 101 -10.723 -5.487 -1.368 789 HE1 PHE 101 HE1 PHE 101 -15.291 -5.114 -3.150 790 HE2 PHE 101 HE2 PHE 101 -12.288 -7.373 -1.140 791 HZ PHE 101 HZ PHE 101 -14.574 -7.187 -2.042 792 H VAL 102 H VAL 102 -9.347 -1.312 -0.366 793 HA VAL 102 HA VAL 102 -8.670 0.913 -2.143 794 HB VAL 102 HB VAL 102 -8.487 1.465 0.205 795 HG11 VAL 102 HG11 VAL 102 -8.133 -0.750 1.130 796 HG12 VAL 102 HG12 VAL 102 -6.524 -0.811 0.408 797 HG13 VAL 102 HG13 VAL 102 -6.875 0.359 1.681 798 HG21 VAL 102 HG21 VAL 102 -5.770 1.174 -1.068 799 HG22 VAL 102 HG22 VAL 102 -6.897 2.509 -1.306 800 HG23 VAL 102 HG23 VAL 102 -6.165 2.245 0.276 801 H GLY 103 H GLY 103 -7.514 0.451 -3.853 802 HA2 GLY 103 HA3 GLY 103 -5.365 -1.532 -3.597 803 HA3 GLY 103 HA2 GLY 103 -6.507 -1.675 -4.917 804 H LEU 104 H LEU 104 -3.738 -1.381 -5.150 805 HA LEU 104 HA LEU 104 -3.804 1.035 -6.795 806 HB2 LEU 104 HB2 LEU 104 -1.921 1.949 -5.971 807 HB3 LEU 104 HB3 LEU 104 -2.322 1.027 -4.536 808 HG LEU 104 HG LEU 104 -0.636 -0.259 -6.622 809 HD11 LEU 104 HD11 LEU 104 1.373 0.705 -5.604 810 HD12 LEU 104 HD12 LEU 104 0.364 1.940 -6.359 811 HD13 LEU 104 HD13 LEU 104 0.359 1.749 -4.606 812 HD21 LEU 104 HD21 LEU 104 0.381 -1.298 -4.647 813 HD22 LEU 104 HD22 LEU 104 -0.711 -0.375 -3.614 814 HD23 LEU 104 HD23 LEU 104 -1.360 -1.579 -4.729 815 H LYS 105 H LYS 105 -2.796 0.737 -8.866 816 HA LYS 105 HA LYS 105 -1.756 -2.030 -9.122 817 HB2 LYS 105 HB2 LYS 105 -3.417 -0.896 -10.824 818 HB3 LYS 105 HB3 LYS 105 -1.961 -0.131 -11.442 819 HG2 LYS 105 HG2 LYS 105 -2.140 -3.103 -11.118 820 HG3 LYS 105 HG3 LYS 105 -2.768 -2.292 -12.552 821 HD2 LYS 105 HD2 LYS 105 0.051 -1.901 -11.580 822 HD3 LYS 105 HD3 LYS 105 -0.396 -3.203 -12.683 823 HE2 LYS 105 HE2 LYS 105 -0.864 -0.266 -13.189 824 HE3 LYS 105 HE3 LYS 105 0.476 -1.203 -13.848 825 HZ1 LYS 105 HZ1 LYS 105 -2.411 -1.692 -14.363 826 HZ2 LYS 105 HZ2 LYS 105 -1.132 -2.626 -14.976 827 HZ3 LYS 105 HZ3 LYS 105 -1.308 -1.006 -15.452 828 H LYS 106 H LYS 106 0.243 -2.060 -8.315 829 HA LYS 106 HA LYS 106 1.711 0.407 -8.311 830 HB2 LYS 106 HB2 LYS 106 3.208 -0.546 -6.774 831 HB3 LYS 106 HB3 LYS 106 1.640 -1.208 -6.354 832 HG2 LYS 106 HG2 LYS 106 3.101 -2.995 -6.178 833 HG3 LYS 106 HG3 LYS 106 2.321 -3.238 -7.741 834 HD2 LYS 106 HD2 LYS 106 4.400 -1.897 -8.605 835 HD3 LYS 106 HD3 LYS 106 5.111 -2.435 -7.080 836 HE2 LYS 106 HE2 LYS 106 3.953 -4.179 -9.258 837 HE3 LYS 106 HE3 LYS 106 5.648 -4.004 -8.814 838 HZ1 LYS 106 HZ1 LYS 106 5.263 -5.027 -6.738 839 HZ2 LYS 106 HZ2 LYS 106 4.557 -6.015 -7.923 840 HZ3 LYS 106 HZ3 LYS 106 3.582 -5.022 -6.958 841 H ASN 107 H ASN 107 1.583 -2.349 -10.310 842 HA ASN 107 HA ASN 107 4.255 -2.244 -11.224 843 HB2 ASN 107 HB2 ASN 107 3.087 -4.193 -11.848 844 HB3 ASN 107 HB3 ASN 107 1.673 -3.295 -12.375 845 HD21 ASN 107 HD21 ASN 107 4.878 -4.363 -13.249 846 HD22 ASN 107 HD22 ASN 107 4.723 -4.059 -14.938 847 H GLY 108 H GLY 108 1.601 -0.196 -11.424 848 HA2 GLY 108 HA3 GLY 108 3.028 1.537 -13.341 849 HA3 GLY 108 HA2 GLY 108 1.277 1.545 -13.163 850 H SER 109 H SER 109 0.443 2.025 -11.067 851 HA SER 109 HA SER 109 1.792 3.859 -9.360 852 HB2 SER 109 HB2 SER 109 0.147 5.754 -10.172 853 HB3 SER 109 HB3 SER 109 1.681 5.506 -11.005 854 HG SER 109 HG SER 109 0.661 4.812 -12.719 855 H CYS 110 H CYS 110 -0.109 5.078 -8.061 856 HA CYS 110 HA CYS 110 -1.441 2.805 -6.917 857 HB2 CYS 110 HB2 CYS 110 -0.241 4.928 -5.849 858 HB3 CYS 110 HB3 CYS 110 -1.862 5.608 -5.952 859 HG CYS 110 HG CYS 110 -2.477 4.737 -3.629 860 H LYS 111 H LYS 111 -3.870 2.790 -6.512 861 HA LYS 111 HA LYS 111 -4.895 3.658 -9.101 862 HB2 LYS 111 HB2 LYS 111 -4.175 1.097 -8.627 863 HB3 LYS 111 HB3 LYS 111 -5.868 1.050 -8.146 864 HG2 LYS 111 HG2 LYS 111 -5.514 0.458 -10.520 865 HG3 LYS 111 HG3 LYS 111 -6.558 1.866 -10.307 866 HD2 LYS 111 HD2 LYS 111 -4.530 3.305 -10.668 867 HD3 LYS 111 HD3 LYS 111 -3.647 1.842 -11.101 868 HE2 LYS 111 HE2 LYS 111 -6.178 2.693 -12.490 869 HE3 LYS 111 HE3 LYS 111 -4.583 3.221 -13.016 870 HZ1 LYS 111 HZ1 LYS 111 -3.958 0.929 -13.365 871 HZ2 LYS 111 HZ2 LYS 111 -5.358 1.283 -14.247 872 HZ3 LYS 111 HZ3 LYS 111 -5.468 0.393 -12.815 873 H ARG 112 H ARG 112 -7.065 3.782 -9.296 874 HA ARG 112 HA ARG 112 -8.042 5.111 -6.973 875 HB2 ARG 112 HB2 ARG 112 -9.626 5.730 -9.223 876 HB3 ARG 112 HB3 ARG 112 -8.369 6.719 -8.485 877 HG2 ARG 112 HG2 ARG 112 -6.794 5.114 -9.887 878 HG3 ARG 112 HG3 ARG 112 -8.249 4.973 -10.886 879 HD2 ARG 112 HD2 ARG 112 -6.793 7.510 -10.154 880 HD3 ARG 112 HD3 ARG 112 -6.821 6.732 -11.733 881 HE ARG 112 HE ARG 112 -9.457 7.325 -10.948 882 HH11 ARG 112 HH12 ARG 112 -6.506 8.915 -11.974 883 HH12 ARG 112 HH11 ARG 112 -7.332 10.321 -12.589 884 HH21 ARG 112 HH22 ARG 112 -10.539 9.144 -11.772 885 HH22 ARG 112 HH21 ARG 112 -9.632 10.430 -12.512 886 H GLY 113 H GLY 113 -10.469 5.331 -6.800 887 HA2 GLY 113 HA3 GLY 113 -11.202 2.816 -5.754 888 HA3 GLY 113 HA2 GLY 113 -12.162 4.289 -5.714 889 HA PRO 114 HA PRO 114 -14.820 2.993 -9.159 890 HB2 PRO 114 HB2 PRO 114 -12.914 3.635 -11.364 891 HB3 PRO 114 HB3 PRO 114 -14.639 3.997 -11.224 892 HG2 PRO 114 HG2 PRO 114 -12.840 5.899 -10.801 893 HG3 PRO 114 HG3 PRO 114 -14.282 5.778 -9.775 894 HD2 PRO 114 HD2 PRO 114 -11.463 5.012 -9.182 895 HD3 PRO 114 HD3 PRO 114 -12.700 5.694 -8.106 896 H ARG 115 H ARG 115 -11.488 1.831 -9.282 897 HA ARG 115 HA ARG 115 -12.530 -0.665 -10.416 898 HB2 ARG 115 HB2 ARG 115 -9.844 0.582 -11.014 899 HB3 ARG 115 HB3 ARG 115 -10.345 -1.020 -11.527 900 HG2 ARG 115 HG2 ARG 115 -10.732 0.216 -13.419 901 HG3 ARG 115 HG3 ARG 115 -12.320 0.253 -12.649 902 HD2 ARG 115 HD2 ARG 115 -11.637 2.441 -11.607 903 HD3 ARG 115 HD3 ARG 115 -10.217 2.409 -12.651 904 HE ARG 115 HE ARG 115 -12.796 2.161 -13.976 905 HH11 ARG 115 HH12 ARG 115 -10.140 4.246 -13.043 906 HH12 ARG 115 HH11 ARG 115 -10.578 5.518 -14.139 907 HH21 ARG 115 HH22 ARG 115 -13.376 3.819 -15.414 908 HH22 ARG 115 HH21 ARG 115 -12.434 5.277 -15.488 909 H THR 116 H THR 116 -11.723 0.519 -7.626 910 HA THR 116 HA THR 116 -9.951 -1.660 -6.855 911 HB THR 116 HB THR 116 -9.942 -0.531 -4.641 912 HG1 THR 116 HG1 THR 116 -11.223 1.096 -4.327 913 HG21 THR 116 HG21 THR 116 -8.440 1.272 -5.346 914 HG22 THR 116 HG22 THR 116 -9.035 1.114 -6.999 915 HG23 THR 116 HG23 THR 116 -8.138 -0.209 -6.254 916 H HIS 117 H HIS 117 -10.942 -3.400 -6.628 917 HA HIS 117 HA HIS 117 -12.782 -4.487 -5.085 918 HB2 HIS 117 HB2 HIS 117 -14.959 -4.327 -6.232 919 HB3 HIS 117 HB3 HIS 117 -14.468 -2.719 -5.728 920 HD1 HIS 117 HD1 HIS 117 -15.355 -4.723 -8.702 921 HD2 HIS 117 HD2 HIS 117 -13.735 -0.987 -7.873 922 HE1 HIS 117 HE1 HIS 117 -15.497 -3.431 -10.852 923 HE2 HIS 117 HE2 HIS 117 -14.688 -1.117 -10.274 924 H TYR 118 H TYR 118 -13.911 -6.362 -6.998 925 HA TYR 118 HA TYR 118 -11.323 -6.897 -8.235 926 HB2 TYR 118 HB2 TYR 118 -13.807 -8.557 -8.642 927 HB3 TYR 118 HB3 TYR 118 -12.124 -9.016 -8.835 928 HD1 TYR 118 HD2 TYR 118 -10.738 -9.560 -6.921 929 HD2 TYR 118 HD1 TYR 118 -14.835 -8.526 -6.446 930 HE1 TYR 118 HE2 TYR 118 -10.684 -10.432 -4.628 931 HE2 TYR 118 HE1 TYR 118 -14.791 -9.393 -4.144 932 HH TYR 118 HH TYR 118 -11.844 -10.232 -2.559 933 H GLY 119 H GLY 119 -11.440 -5.008 -9.402 934 HA2 GLY 119 HA3 GLY 119 -12.676 -5.385 -12.042 935 HA3 GLY 119 HA2 GLY 119 -12.092 -3.832 -11.415 936 H GLN 120 H GLN 120 -9.866 -4.988 -10.129 937 HA GLN 120 HA GLN 120 -8.036 -5.445 -12.365 938 HB2 GLN 120 HB2 GLN 120 -8.164 -3.140 -10.444 939 HB3 GLN 120 HB3 GLN 120 -6.591 -3.691 -11.027 940 HG2 GLN 120 HG2 GLN 120 -7.206 -3.198 -13.289 941 HG3 GLN 120 HG3 GLN 120 -8.873 -2.861 -12.812 942 HE21 GLN 120 HE21 GLN 120 -8.065 -1.495 -10.374 943 HE22 GLN 120 HE22 GLN 120 -7.472 0.051 -10.864 944 H LYS 121 H LYS 121 -6.062 -6.391 -11.738 945 HA LYS 121 HA LYS 121 -6.010 -7.737 -9.194 946 HB2 LYS 121 HB2 LYS 121 -4.195 -7.670 -11.581 947 HB3 LYS 121 HB3 LYS 121 -3.569 -8.266 -10.055 948 HG2 LYS 121 HG2 LYS 121 -4.276 -10.138 -11.321 949 HG3 LYS 121 HG3 LYS 121 -5.435 -9.916 -10.012 950 HD2 LYS 121 HD2 LYS 121 -6.997 -8.860 -11.548 951 HD3 LYS 121 HD3 LYS 121 -5.823 -8.996 -12.861 952 HE2 LYS 121 HE2 LYS 121 -5.862 -11.459 -12.572 953 HE3 LYS 121 HE3 LYS 121 -7.131 -11.265 -11.365 954 HZ1 LYS 121 HZ1 LYS 121 -7.987 -11.824 -13.573 955 HZ2 LYS 121 HZ2 LYS 121 -7.335 -10.385 -14.192 956 HZ3 LYS 121 HZ3 LYS 121 -8.567 -10.327 -13.025 957 H ALA 122 H ALA 122 -5.792 -4.713 -9.670 958 HA ALA 122 HA ALA 122 -3.394 -3.875 -8.404 959 HB1 ALA 122 HB1 ALA 122 -6.097 -2.538 -8.580 960 HB2 ALA 122 HB2 ALA 122 -4.596 -1.755 -8.084 961 HB3 ALA 122 HB3 ALA 122 -4.774 -2.358 -9.732 962 H ILE 123 H ILE 123 -6.022 -5.596 -7.375 963 HA ILE 123 HA ILE 123 -5.972 -4.712 -4.606 964 HB ILE 123 HB ILE 123 -7.590 -6.913 -5.907 965 HG12 ILE 123 HG12 ILE 123 -8.051 -4.765 -6.976 966 HG13 ILE 123 HG13 ILE 123 -9.427 -5.281 -6.008 967 HG21 ILE 123 HG21 ILE 123 -7.994 -5.443 -3.300 968 HG22 ILE 123 HG22 ILE 123 -9.098 -6.634 -3.988 969 HG23 ILE 123 HG23 ILE 123 -7.481 -7.121 -3.481 970 HD11 ILE 123 HD11 ILE 123 -8.754 -3.739 -4.238 971 HD12 ILE 123 HD12 ILE 123 -7.379 -3.224 -5.215 972 HD13 ILE 123 HD13 ILE 123 -9.023 -2.903 -5.768 973 H LEU 124 H LEU 124 -3.987 -6.678 -6.401 974 HA LEU 124 HA LEU 124 -3.886 -8.825 -4.397 975 HB2 LEU 124 HB2 LEU 124 -2.556 -8.566 -7.090 976 HB3 LEU 124 HB3 LEU 124 -2.280 -9.903 -5.988 977 HG LEU 124 HG LEU 124 -4.860 -9.196 -7.384 978 HD11 LEU 124 HD11 LEU 124 -3.053 -11.604 -7.543 979 HD12 LEU 124 HD12 LEU 124 -4.588 -11.409 -8.390 980 HD13 LEU 124 HD13 LEU 124 -3.231 -10.347 -8.769 981 HD21 LEU 124 HD21 LEU 124 -5.355 -9.920 -5.116 982 HD22 LEU 124 HD22 LEU 124 -5.812 -11.164 -6.278 983 HD23 LEU 124 HD23 LEU 124 -4.335 -11.343 -5.329 984 H PHE 125 H PHE 125 -2.916 -7.793 -2.666 985 HA PHE 125 HA PHE 125 -0.400 -6.405 -3.113 986 HB2 PHE 125 HB2 PHE 125 -2.115 -6.669 -0.643 987 HB3 PHE 125 HB3 PHE 125 -0.659 -5.702 -0.761 988 HD1 PHE 125 HD1 PHE 125 -4.163 -5.987 -1.739 989 HD2 PHE 125 HD2 PHE 125 -0.651 -3.596 -1.907 990 HE1 PHE 125 HE1 PHE 125 -5.499 -4.082 -2.529 991 HE2 PHE 125 HE2 PHE 125 -1.981 -1.687 -2.692 992 HZ PHE 125 HZ PHE 125 -4.433 -1.907 -2.907 993 H LEU 126 H LEU 126 1.496 -7.049 -2.392 994 HA LEU 126 HA LEU 126 1.669 -9.243 -0.470 995 HB2 LEU 126 HB2 LEU 126 2.141 -9.798 -3.025 996 HB3 LEU 126 HB3 LEU 126 3.687 -9.052 -2.674 997 HG LEU 126 HG LEU 126 3.745 -11.515 -2.511 998 HD11 LEU 126 HD11 LEU 126 5.334 -10.222 -1.213 999 HD12 LEU 126 HD12 LEU 126 4.174 -10.095 0.110 1000 HD13 LEU 126 HD13 LEU 126 4.842 -11.667 -0.331 1001 HD21 LEU 126 HD21 LEU 126 2.618 -12.640 -0.661 1002 HD22 LEU 126 HD22 LEU 126 1.841 -11.123 -0.208 1003 HD23 LEU 126 HD23 LEU 126 1.460 -11.882 -1.755 1004 HA PRO 127 HA PRO 127 4.479 -6.069 0.994 1005 HB2 PRO 127 HB2 PRO 127 3.913 -6.428 3.605 1006 HB3 PRO 127 HB3 PRO 127 2.777 -5.648 2.499 1007 HG2 PRO 127 HG2 PRO 127 2.589 -8.265 3.791 1008 HG3 PRO 127 HG3 PRO 127 1.331 -7.335 2.964 1009 HD2 PRO 127 HD2 PRO 127 2.989 -9.528 1.943 1010 HD3 PRO 127 HD3 PRO 127 1.514 -8.821 1.250 1011 H LEU 128 H LEU 128 6.551 -6.725 0.705 1012 HA LEU 128 HA LEU 128 7.576 -8.889 2.402 1013 HB2 LEU 128 HB2 LEU 128 8.616 -7.709 -0.170 1014 HB3 LEU 128 HB3 LEU 128 9.563 -8.794 0.829 1015 HG LEU 128 HG LEU 128 6.926 -9.479 -0.476 1016 HD11 LEU 128 HD11 LEU 128 8.270 -10.930 -1.910 1017 HD12 LEU 128 HD12 LEU 128 8.728 -9.236 -2.097 1018 HD13 LEU 128 HD13 LEU 128 9.741 -10.323 -1.149 1019 HD21 LEU 128 HD21 LEU 128 7.258 -10.675 1.624 1020 HD22 LEU 128 HD22 LEU 128 7.426 -11.766 0.247 1021 HD23 LEU 128 HD23 LEU 128 8.860 -11.185 1.093 1022 HA PRO 129 HA PRO 129 9.624 -5.542 4.532 1023 HB2 PRO 129 HB2 PRO 129 10.253 -6.896 6.748 1024 HB3 PRO 129 HB3 PRO 129 8.574 -6.462 6.383 1025 HG2 PRO 129 HG2 PRO 129 9.964 -9.090 6.072 1026 HG3 PRO 129 HG3 PRO 129 8.311 -8.752 6.615 1027 HD2 PRO 129 HD2 PRO 129 9.040 -9.528 4.041 1028 HD3 PRO 129 HD3 PRO 129 7.507 -8.754 4.487 1029 H VAL 130 H VAL 130 11.781 -5.030 5.094 1030 HA VAL 130 HA VAL 130 13.669 -6.403 3.409 1031 HB VAL 130 HB VAL 130 14.330 -4.136 5.271 1032 HG11 VAL 130 HG11 VAL 130 16.227 -5.219 4.228 1033 HG12 VAL 130 HG12 VAL 130 15.505 -4.991 2.636 1034 HG13 VAL 130 HG13 VAL 130 16.015 -3.592 3.581 1035 HG21 VAL 130 HG21 VAL 130 13.140 -3.927 2.508 1036 HG22 VAL 130 HG22 VAL 130 12.370 -3.442 4.018 1037 HG23 VAL 130 HG23 VAL 130 13.796 -2.581 3.440 1038 H SER 131 H SER 131 15.631 -7.316 4.091 1039 HA SER 131 HA SER 131 15.385 -8.548 6.730 1040 HB2 SER 131 HB2 SER 131 15.709 -9.865 4.523 1041 HB3 SER 131 HB3 SER 131 17.385 -9.327 4.618 1042 HG SER 131 HG SER 131 17.737 -10.634 6.262 1043 H SER 132 H SER 132 16.587 -7.876 8.338 1044 HA SER 132 HA SER 132 19.240 -6.758 7.823 1045 HB2 SER 132 HB2 SER 132 17.192 -5.528 9.690 1046 HB3 SER 132 HB3 SER 132 18.855 -4.979 9.480 1047 HG SER 132 HG SER 132 18.217 -4.734 7.169 1048 H ASP 133 H ASP 133 20.285 -8.528 8.605 1049 HA ASP 133 HA ASP 133 19.888 -9.095 11.455 1050 HB2 ASP 133 HB2 ASP 133 20.282 -11.142 9.263 1051 HB3 ASP 133 HB3 ASP 133 20.385 -11.501 10.983 Start of MODEL 3 1 H1 TYR 1 H1 TYR 1 15.453 -9.423 11.121 2 H2 TYR 1 H2 TYR 1 14.990 -10.725 10.141 3 H3 TYR 1 H3 TYR 1 13.823 -9.897 11.057 4 HA TYR 1 HA TYR 1 15.363 -8.847 8.755 5 HB2 TYR 1 HB2 TYR 1 12.416 -9.410 9.171 6 HB3 TYR 1 HB3 TYR 1 13.076 -8.562 7.778 7 HD1 TYR 1 HD2 TYR 1 14.548 -9.782 6.182 8 HD2 TYR 1 HD1 TYR 1 12.491 -11.775 9.326 9 HE1 TYR 1 HE2 TYR 1 14.883 -11.927 5.031 10 HE2 TYR 1 HE1 TYR 1 12.821 -13.926 8.185 11 HH TYR 1 HH TYR 1 14.929 -14.275 5.490 12 H LYS 2 H LYS 2 14.443 -6.702 8.062 13 HA LYS 2 HA LYS 2 14.410 -4.976 10.387 14 HB2 LYS 2 HB2 LYS 2 14.531 -4.391 7.431 15 HB3 LYS 2 HB3 LYS 2 14.420 -3.133 8.655 16 HG2 LYS 2 HG2 LYS 2 16.523 -3.995 9.655 17 HG3 LYS 2 HG3 LYS 2 16.647 -5.130 8.310 18 HD2 LYS 2 HD2 LYS 2 16.778 -3.297 6.733 19 HD3 LYS 2 HD3 LYS 2 16.542 -2.127 8.033 20 HE2 LYS 2 HE2 LYS 2 18.640 -2.889 9.074 21 HE3 LYS 2 HE3 LYS 2 18.875 -4.020 7.744 22 HZ1 LYS 2 HZ1 LYS 2 20.147 -1.927 7.528 23 HZ2 LYS 2 HZ2 LYS 2 18.686 -1.074 7.407 24 HZ3 LYS 2 HZ3 LYS 2 19.103 -2.213 6.221 25 H LYS 3 H LYS 3 12.879 -3.049 10.234 26 HA LYS 3 HA LYS 3 10.243 -4.126 10.424 27 HB2 LYS 3 HB2 LYS 3 11.326 -2.323 11.871 28 HB3 LYS 3 HB3 LYS 3 11.020 -1.252 10.505 29 HG2 LYS 3 HG2 LYS 3 9.197 -0.848 11.857 30 HG3 LYS 3 HG3 LYS 3 8.569 -2.052 10.735 31 HD2 LYS 3 HD2 LYS 3 9.620 -2.632 13.508 32 HD3 LYS 3 HD3 LYS 3 7.916 -2.490 13.080 33 HE2 LYS 3 HE2 LYS 3 8.222 -4.384 11.493 34 HE3 LYS 3 HE3 LYS 3 9.873 -4.562 12.090 35 HZ1 LYS 3 HZ1 LYS 3 8.883 -4.866 14.348 36 HZ2 LYS 3 HZ2 LYS 3 8.527 -6.109 13.251 37 HZ3 LYS 3 HZ3 LYS 3 7.356 -4.936 13.613 38 HA PRO 4 HA PRO 4 9.473 -0.699 6.879 39 HB2 PRO 4 HB2 PRO 4 12.082 -1.219 5.515 40 HB3 PRO 4 HB3 PRO 4 11.119 0.265 5.561 41 HG2 PRO 4 HG2 PRO 4 13.291 0.012 7.068 42 HG3 PRO 4 HG3 PRO 4 11.838 0.809 7.699 43 HD2 PRO 4 HD2 PRO 4 12.928 -1.896 8.297 44 HD3 PRO 4 HD3 PRO 4 12.039 -0.779 9.349 45 H LYS 5 H LYS 5 8.216 -1.515 5.383 46 HA LYS 5 HA LYS 5 8.955 -4.079 4.161 47 HB2 LYS 5 HB2 LYS 5 6.217 -3.028 4.904 48 HB3 LYS 5 HB3 LYS 5 6.498 -4.495 3.971 49 HG2 LYS 5 HG2 LYS 5 7.703 -5.473 5.850 50 HG3 LYS 5 HG3 LYS 5 7.454 -3.995 6.783 51 HD2 LYS 5 HD2 LYS 5 5.064 -4.330 6.749 52 HD3 LYS 5 HD3 LYS 5 5.244 -5.739 5.703 53 HE2 LYS 5 HE2 LYS 5 4.873 -6.385 8.032 54 HE3 LYS 5 HE3 LYS 5 6.454 -6.910 7.456 55 HZ1 LYS 5 HZ1 LYS 5 5.908 -4.545 9.175 56 HZ2 LYS 5 HZ2 LYS 5 7.433 -4.979 8.579 57 HZ3 LYS 5 HZ3 LYS 5 6.628 -5.998 9.663 58 H LEU 6 H LEU 6 7.997 -4.421 2.061 59 HA LEU 6 HA LEU 6 8.100 -1.973 0.453 60 HB2 LEU 6 HB2 LEU 6 9.879 -3.327 -0.164 61 HB3 LEU 6 HB3 LEU 6 8.971 -4.804 0.066 62 HG LEU 6 HG LEU 6 8.180 -3.002 -2.180 63 HD11 LEU 6 HD11 LEU 6 10.618 -3.128 -2.316 64 HD12 LEU 6 HD12 LEU 6 10.527 -4.887 -2.207 65 HD13 LEU 6 HD13 LEU 6 9.845 -4.057 -3.602 66 HD21 LEU 6 HD21 LEU 6 8.348 -5.998 -1.843 67 HD22 LEU 6 HD22 LEU 6 6.887 -5.027 -1.670 68 HD23 LEU 6 HD23 LEU 6 7.685 -5.149 -3.239 69 H LEU 7 H LEU 7 6.535 -1.568 -1.105 70 HA LEU 7 HA LEU 7 4.070 -3.104 -0.776 71 HB2 LEU 7 HB2 LEU 7 3.906 -0.669 -0.549 72 HB3 LEU 7 HB3 LEU 7 4.529 -0.474 -2.179 73 HG LEU 7 HG LEU 7 2.313 -2.213 -2.382 74 HD11 LEU 7 HD11 LEU 7 1.595 -1.474 -0.190 75 HD12 LEU 7 HD12 LEU 7 1.714 0.211 -0.699 76 HD13 LEU 7 HD13 LEU 7 0.516 -0.851 -1.439 77 HD21 LEU 7 HD21 LEU 7 2.568 0.708 -3.092 78 HD22 LEU 7 HD22 LEU 7 3.069 -0.650 -4.100 79 HD23 LEU 7 HD23 LEU 7 1.363 -0.411 -3.727 80 H TYR 8 H TYR 8 4.616 -4.928 -2.030 81 HA TYR 8 HA TYR 8 4.497 -4.394 -4.933 82 HB2 TYR 8 HB2 TYR 8 6.256 -5.902 -4.226 83 HB3 TYR 8 HB3 TYR 8 5.155 -6.806 -3.212 84 HD1 TYR 8 HD1 TYR 8 3.328 -8.195 -4.445 85 HD2 TYR 8 HD2 TYR 8 6.813 -6.663 -6.340 86 HE1 TYR 8 HE1 TYR 8 3.107 -9.893 -6.200 87 HE2 TYR 8 HE2 TYR 8 6.587 -8.349 -8.116 88 HH TYR 8 HH TYR 8 5.550 -10.613 -8.389 89 H CYS 9 H CYS 9 2.092 -3.764 -4.921 90 HA CYS 9 HA CYS 9 0.638 -6.341 -4.968 91 HB2 CYS 9 HB2 CYS 9 -0.329 -5.131 -3.199 92 HB3 CYS 9 HB3 CYS 9 -0.268 -3.614 -4.085 93 HG CYS 9 HG CYS 9 -2.593 -3.774 -5.213 94 H SER 10 H SER 10 1.702 -5.988 -7.278 95 HA SER 10 HA SER 10 -0.842 -6.413 -8.551 96 HB2 SER 10 HB2 SER 10 0.164 -4.377 -9.693 97 HB3 SER 10 HB3 SER 10 1.573 -5.361 -10.086 98 HG SER 10 HG SER 10 -1.070 -6.053 -10.853 99 H ASN 11 H ASN 11 -0.531 -8.672 -9.748 100 HA ASN 11 HA ASN 11 1.990 -9.798 -8.829 101 HB2 ASN 11 HB2 ASN 11 1.356 -11.850 -10.059 102 HB3 ASN 11 HB3 ASN 11 0.092 -11.327 -8.957 103 HD21 ASN 11 HD21 ASN 11 0.042 -13.020 -11.367 104 HD22 ASN 11 HD22 ASN 11 -1.153 -12.311 -12.405 105 H GLY 12 H GLY 12 3.584 -8.721 -9.668 106 HA2 GLY 12 HA3 GLY 12 4.340 -9.208 -12.406 107 HA3 GLY 12 HA2 GLY 12 4.078 -7.507 -12.032 108 H GLY 13 H GLY 13 5.837 -6.466 -11.564 109 HA2 GLY 13 HA3 GLY 13 7.070 -6.991 -9.094 110 HA3 GLY 13 HA2 GLY 13 8.194 -7.385 -10.385 111 H HIS 14 H HIS 14 6.083 -4.805 -9.248 112 HA HIS 14 HA HIS 14 8.303 -2.932 -9.574 113 HB2 HIS 14 HB2 HIS 14 5.447 -2.593 -10.368 114 HB3 HIS 14 HB3 HIS 14 6.261 -1.209 -9.647 115 HD1 HIS 14 HD1 HIS 14 7.600 -3.697 -12.228 116 HD2 HIS 14 HD2 HIS 14 6.862 0.370 -11.754 117 HE1 HIS 14 HE1 HIS 14 8.443 -2.603 -14.326 118 HE2 HIS 14 HE2 HIS 14 8.028 -0.139 -14.008 119 H PHE 15 H PHE 15 8.023 -1.070 -7.921 120 HA PHE 15 HA PHE 15 6.665 -1.982 -5.499 121 HB2 PHE 15 HB2 PHE 15 9.507 -1.007 -5.322 122 HB3 PHE 15 HB3 PHE 15 8.594 -1.960 -4.159 123 HD1 PHE 15 HD2 PHE 15 7.891 -4.354 -5.037 124 HD2 PHE 15 HD1 PHE 15 11.139 -2.065 -6.567 125 HE1 PHE 15 HE2 PHE 15 8.930 -6.409 -5.899 126 HE2 PHE 15 HE1 PHE 15 12.182 -4.118 -7.431 127 HZ PHE 15 HZ PHE 15 11.113 -6.276 -7.100 128 H LEU 16 H LEU 16 5.907 -0.200 -4.290 129 HA LEU 16 HA LEU 16 5.921 2.268 -5.678 130 HB2 LEU 16 HB2 LEU 16 3.941 2.366 -4.661 131 HB3 LEU 16 HB3 LEU 16 4.358 1.004 -3.638 132 HG LEU 16 HG LEU 16 5.619 2.789 -2.213 133 HD11 LEU 16 HD11 LEU 16 4.606 4.997 -2.256 134 HD12 LEU 16 HD12 LEU 16 5.404 4.624 -3.784 135 HD13 LEU 16 HD13 LEU 16 3.646 4.535 -3.662 136 HD21 LEU 16 HD21 LEU 16 3.607 3.201 -0.900 137 HD22 LEU 16 HD22 LEU 16 2.609 2.663 -2.252 138 HD23 LEU 16 HD23 LEU 16 3.685 1.524 -1.441 139 H ARG 17 H ARG 17 6.879 4.008 -5.317 140 HA ARG 17 HA ARG 17 8.603 4.414 -2.993 141 HB2 ARG 17 HB2 ARG 17 10.434 4.980 -4.325 142 HB3 ARG 17 HB3 ARG 17 9.708 3.690 -5.281 143 HG2 ARG 17 HG2 ARG 17 8.450 5.591 -6.474 144 HG3 ARG 17 HG3 ARG 17 9.679 6.634 -5.761 145 HD2 ARG 17 HD2 ARG 17 10.176 4.270 -7.561 146 HD3 ARG 17 HD3 ARG 17 10.284 5.965 -8.021 147 HE ARG 17 HE ARG 17 12.013 5.209 -5.837 148 HH11 ARG 17 HH12 ARG 17 11.678 5.537 -9.296 149 HH12 ARG 17 HH11 ARG 17 13.385 5.586 -9.594 150 HH21 ARG 17 HH22 ARG 17 14.289 5.264 -6.215 151 HH22 ARG 17 HH21 ARG 17 14.865 5.408 -7.855 152 H ILE 18 H ILE 18 8.711 6.718 -2.403 153 HA ILE 18 HA ILE 18 6.490 8.161 -3.600 154 HB ILE 18 HB ILE 18 6.304 9.473 -1.760 155 HG12 ILE 18 HG12 ILE 18 8.598 10.383 -1.748 156 HG13 ILE 18 HG13 ILE 18 8.006 10.031 -0.131 157 HG21 ILE 18 HG21 ILE 18 6.554 8.076 0.255 158 HG22 ILE 18 HG22 ILE 18 5.824 7.220 -1.103 159 HG23 ILE 18 HG23 ILE 18 7.516 6.940 -0.692 160 HD11 ILE 18 HD11 ILE 18 9.330 7.999 -0.077 161 HD12 ILE 18 HD12 ILE 18 9.904 8.316 -1.715 162 HD13 ILE 18 HD13 ILE 18 10.337 9.410 -0.401 163 H LEU 19 H LEU 19 6.662 9.818 -4.861 164 HA LEU 19 HA LEU 19 9.219 11.247 -5.038 165 HB2 LEU 19 HB2 LEU 19 6.853 11.063 -6.899 166 HB3 LEU 19 HB3 LEU 19 7.990 12.389 -7.015 167 HG LEU 19 HG LEU 19 9.810 10.699 -7.378 168 HD11 LEU 19 HD11 LEU 19 7.502 8.792 -7.710 169 HD12 LEU 19 HD12 LEU 19 9.200 8.451 -8.044 170 HD13 LEU 19 HD13 LEU 19 8.673 8.767 -6.391 171 HD21 LEU 19 HD21 LEU 19 8.814 11.935 -9.219 172 HD22 LEU 19 HD22 LEU 19 9.214 10.290 -9.712 173 HD23 LEU 19 HD23 LEU 19 7.540 10.722 -9.361 174 HA PRO 20 HA PRO 20 7.423 14.240 -2.421 175 HB2 PRO 20 HB2 PRO 20 9.126 16.267 -3.639 176 HB3 PRO 20 HB3 PRO 20 9.202 15.593 -2.008 177 HG2 PRO 20 HG2 PRO 20 11.094 15.058 -3.832 178 HG3 PRO 20 HG3 PRO 20 10.556 13.831 -2.668 179 HD2 PRO 20 HD2 PRO 20 9.774 14.174 -5.548 180 HD3 PRO 20 HD3 PRO 20 10.210 12.690 -4.668 181 H ASP 21 H ASP 21 6.763 14.197 -5.537 182 HA ASP 21 HA ASP 21 5.590 16.826 -5.851 183 HB2 ASP 21 HB2 ASP 21 6.416 15.823 -7.869 184 HB3 ASP 21 HB3 ASP 21 5.515 14.339 -7.572 185 H GLY 22 H GLY 22 4.642 13.613 -4.924 186 HA2 GLY 22 HA3 GLY 22 2.599 13.630 -3.445 187 HA3 GLY 22 HA2 GLY 22 1.829 14.508 -4.756 188 H THR 23 H THR 23 3.956 11.628 -4.854 189 HA THR 23 HA THR 23 1.799 10.275 -6.299 190 HB THR 23 HB THR 23 4.618 9.492 -6.656 191 HG1 THR 23 HG1 THR 23 5.085 11.202 -7.981 192 HG21 THR 23 HG21 THR 23 2.301 9.819 -8.550 193 HG22 THR 23 HG22 THR 23 2.814 8.311 -7.794 194 HG23 THR 23 HG23 THR 23 3.865 9.120 -8.958 195 H VAL 24 H VAL 24 1.283 8.272 -5.637 196 HA VAL 24 HA VAL 24 3.239 6.724 -4.052 197 HB VAL 24 HB VAL 24 0.317 6.089 -4.552 198 HG11 VAL 24 HG11 VAL 24 0.523 4.627 -2.617 199 HG12 VAL 24 HG12 VAL 24 1.665 4.179 -3.884 200 HG13 VAL 24 HG13 VAL 24 2.226 5.062 -2.464 201 HG21 VAL 24 HG21 VAL 24 -0.133 6.945 -2.309 202 HG22 VAL 24 HG22 VAL 24 1.537 7.510 -2.216 203 HG23 VAL 24 HG23 VAL 24 0.441 8.199 -3.411 204 H ASP 25 H ASP 25 4.522 5.852 -5.730 205 HA ASP 25 HA ASP 25 3.008 4.280 -7.682 206 HB2 ASP 25 HB2 ASP 25 4.104 5.158 -9.606 207 HB3 ASP 25 HB3 ASP 25 3.527 6.536 -8.680 208 H GLY 26 H GLY 26 3.791 2.433 -8.441 209 HA2 GLY 26 HA3 GLY 26 6.320 1.679 -7.221 210 HA3 GLY 26 HA2 GLY 26 5.289 0.624 -8.154 211 H THR 27 H THR 27 8.075 1.401 -8.051 212 HA THR 27 HA THR 27 8.679 1.304 -10.885 213 HB THR 27 HB THR 27 9.935 3.191 -8.882 214 HG1 THR 27 HG1 THR 27 8.111 4.143 -9.761 215 HG21 THR 27 HG21 THR 27 11.637 2.197 -10.289 216 HG22 THR 27 HG22 THR 27 11.417 3.897 -10.704 217 HG23 THR 27 HG23 THR 27 10.731 2.638 -11.734 218 H ARG 28 H ARG 28 10.672 -0.144 -11.125 219 HA ARG 28 HA ARG 28 11.028 -1.358 -8.471 220 HB2 ARG 28 HB2 ARG 28 12.281 -3.161 -9.834 221 HB3 ARG 28 HB3 ARG 28 10.530 -3.096 -9.923 222 HG2 ARG 28 HG2 ARG 28 10.637 -1.989 -12.068 223 HG3 ARG 28 HG3 ARG 28 12.394 -1.901 -11.967 224 HD2 ARG 28 HD2 ARG 28 10.951 -4.530 -11.854 225 HD3 ARG 28 HD3 ARG 28 11.346 -3.767 -13.393 226 HE ARG 28 HE ARG 28 13.727 -3.756 -12.249 227 HH11 ARG 28 HH12 ARG 28 11.335 -6.325 -12.307 228 HH12 ARG 28 HH11 ARG 28 12.517 -7.598 -12.298 229 HH21 ARG 28 HH22 ARG 28 15.278 -5.429 -12.266 230 HH22 ARG 28 HH21 ARG 28 14.755 -7.096 -12.277 231 H ASP 29 H ASP 29 12.410 -0.084 -7.491 232 HA ASP 29 HA ASP 29 15.109 -1.058 -8.016 233 HB2 ASP 29 HB2 ASP 29 14.450 1.813 -7.277 234 HB3 ASP 29 HB3 ASP 29 16.051 1.111 -7.101 235 H ARG 30 H ARG 30 15.192 -2.467 -6.238 236 HA ARG 30 HA ARG 30 14.124 -1.316 -3.759 237 HB2 ARG 30 HB2 ARG 30 13.764 -3.430 -2.847 238 HB3 ARG 30 HB3 ARG 30 13.178 -3.531 -4.500 239 HG2 ARG 30 HG2 ARG 30 15.884 -4.536 -3.646 240 HG3 ARG 30 HG3 ARG 30 14.437 -5.540 -3.698 241 HD2 ARG 30 HD2 ARG 30 14.232 -4.834 -6.135 242 HD3 ARG 30 HD3 ARG 30 15.872 -4.208 -5.980 243 HE ARG 30 HE ARG 30 15.661 -6.923 -5.097 244 HH11 ARG 30 HH12 ARG 30 16.090 -4.879 -7.917 245 HH12 ARG 30 HH11 ARG 30 16.715 -6.160 -8.909 246 HH21 ARG 30 HH22 ARG 30 16.486 -8.616 -6.425 247 HH22 ARG 30 HH21 ARG 30 16.937 -8.262 -8.068 248 H SER 31 H SER 31 16.753 -1.279 -5.311 249 HA SER 31 HA SER 31 18.481 -1.553 -2.977 250 HB2 SER 31 HB2 SER 31 19.197 -0.954 -5.862 251 HB3 SER 31 HB3 SER 31 20.335 -1.262 -4.548 252 HG SER 31 HG SER 31 19.669 -3.360 -4.446 253 H ASP 32 H ASP 32 16.333 0.635 -4.083 254 HA ASP 32 HA ASP 32 18.125 2.912 -3.663 255 HB2 ASP 32 HB2 ASP 32 16.757 3.011 -5.683 256 HB3 ASP 32 HB3 ASP 32 15.300 2.689 -4.757 257 H GLN 33 H GLN 33 16.713 4.724 -2.518 258 HA GLN 33 HA GLN 33 15.931 3.586 0.048 259 HB2 GLN 33 HB2 GLN 33 17.456 5.855 -0.927 260 HB3 GLN 33 HB3 GLN 33 16.413 6.243 0.444 261 HG2 GLN 33 HG2 GLN 33 18.252 5.593 1.588 262 HG3 GLN 33 HG3 GLN 33 17.516 4.013 1.357 263 HE21 GLN 33 HE21 GLN 33 20.322 4.753 1.761 264 HE22 GLN 33 HE22 GLN 33 21.177 4.105 0.404 265 H HIS 34 H HIS 34 13.838 3.613 -1.854 266 HA HIS 34 HA HIS 34 12.169 5.710 -0.667 267 HB2 HIS 34 HB2 HIS 34 12.486 5.177 -3.611 268 HB3 HIS 34 HB3 HIS 34 11.072 5.993 -2.958 269 HD1 HIS 34 HD1 HIS 34 14.534 6.566 -4.014 270 HD2 HIS 34 HD2 HIS 34 11.692 8.530 -1.694 271 HE1 HIS 34 HE1 HIS 34 15.345 8.943 -3.801 272 HE2 HIS 34 HE2 HIS 34 13.526 10.145 -2.536 273 H ILE 35 H ILE 35 12.479 2.455 -1.638 274 HA ILE 35 HA ILE 35 9.627 2.015 -1.800 275 HB ILE 35 HB ILE 35 10.300 -0.392 -2.152 276 HG12 ILE 35 HG12 ILE 35 12.739 -0.605 -2.969 277 HG13 ILE 35 HG13 ILE 35 13.051 0.853 -2.040 278 HG21 ILE 35 HG21 ILE 35 11.384 1.706 -4.020 279 HG22 ILE 35 HG22 ILE 35 11.079 0.021 -4.446 280 HG23 ILE 35 HG23 ILE 35 9.738 1.070 -3.987 281 HD11 ILE 35 HD11 ILE 35 12.331 -0.302 -0.007 282 HD12 ILE 35 HD12 ILE 35 12.033 -1.760 -0.953 283 HD13 ILE 35 HD13 ILE 35 13.673 -1.130 -0.799 284 H GLN 36 H GLN 36 11.027 2.734 0.909 285 HA GLN 36 HA GLN 36 10.313 0.234 2.310 286 HB2 GLN 36 HB2 GLN 36 11.756 1.065 4.166 287 HB3 GLN 36 HB3 GLN 36 12.615 0.744 2.669 288 HG2 GLN 36 HG2 GLN 36 11.698 3.506 2.876 289 HG3 GLN 36 HG3 GLN 36 12.781 3.026 4.189 290 HE21 GLN 36 HE21 GLN 36 12.996 1.525 1.066 291 HE22 GLN 36 HE22 GLN 36 14.505 2.234 0.608 292 H LEU 37 H LEU 37 8.231 0.440 2.848 293 HA LEU 37 HA LEU 37 7.489 2.778 4.480 294 HB2 LEU 37 HB2 LEU 37 5.145 2.275 3.912 295 HB3 LEU 37 HB3 LEU 37 6.109 2.718 2.522 296 HG LEU 37 HG LEU 37 5.714 -0.187 3.108 297 HD11 LEU 37 HD11 LEU 37 3.680 1.593 1.767 298 HD12 LEU 37 HD12 LEU 37 3.633 -0.169 1.820 299 HD13 LEU 37 HD13 LEU 37 3.477 0.762 3.309 300 HD21 LEU 37 HD21 LEU 37 5.816 -0.334 0.675 301 HD22 LEU 37 HD22 LEU 37 5.884 1.424 0.557 302 HD23 LEU 37 HD23 LEU 37 7.215 0.538 1.301 303 H GLN 38 H GLN 38 6.299 2.405 6.384 304 HA GLN 38 HA GLN 38 7.018 -0.173 7.546 305 HB2 GLN 38 HB2 GLN 38 7.477 2.271 8.505 306 HB3 GLN 38 HB3 GLN 38 5.851 2.066 9.149 307 HG2 GLN 38 HG2 GLN 38 8.137 0.173 9.633 308 HG3 GLN 38 HG3 GLN 38 7.635 1.451 10.736 309 HE21 GLN 38 HE21 GLN 38 5.757 1.215 11.913 310 HE22 GLN 38 HE22 GLN 38 4.930 -0.303 12.046 311 H LEU 39 H LEU 39 5.511 -1.668 7.313 312 HA LEU 39 HA LEU 39 2.683 -0.874 7.387 313 HB2 LEU 39 HB2 LEU 39 3.727 -1.952 5.294 314 HB3 LEU 39 HB3 LEU 39 3.772 -3.433 6.224 315 HG LEU 39 HG LEU 39 1.841 -3.261 4.662 316 HD11 LEU 39 HD11 LEU 39 1.108 -3.414 7.583 317 HD12 LEU 39 HD12 LEU 39 0.125 -4.003 6.242 318 HD13 LEU 39 HD13 LEU 39 1.689 -4.743 6.580 319 HD21 LEU 39 HD21 LEU 39 0.993 -1.039 6.511 320 HD22 LEU 39 HD22 LEU 39 1.417 -0.892 4.805 321 HD23 LEU 39 HD23 LEU 39 -0.028 -1.785 5.281 322 H SER 40 H SER 40 2.227 -1.052 9.527 323 HA SER 40 HA SER 40 2.693 -3.681 10.759 324 HB2 SER 40 HB2 SER 40 2.317 -0.969 12.028 325 HB3 SER 40 HB3 SER 40 2.312 -2.477 12.940 326 HG SER 40 HG SER 40 4.457 -2.070 11.213 327 H ALA 41 H ALA 41 1.009 -4.570 12.055 328 HA ALA 41 HA ALA 41 -1.674 -3.462 11.554 329 HB1 ALA 41 HB1 ALA 41 -0.913 -6.324 12.157 330 HB2 ALA 41 HB2 ALA 41 -2.549 -5.722 11.891 331 HB3 ALA 41 HB3 ALA 41 -1.375 -5.700 10.574 332 H GLU 42 H GLU 42 -2.118 -2.255 13.349 333 HA GLU 42 HA GLU 42 -0.892 -3.218 15.844 334 HB2 GLU 42 HB2 GLU 42 -0.373 -0.894 14.556 335 HB3 GLU 42 HB3 GLU 42 -1.630 -0.375 15.671 336 HG2 GLU 42 HG2 GLU 42 -0.357 -0.790 17.526 337 HG3 GLU 42 HG3 GLU 42 0.628 -2.006 16.714 338 H SER 43 H SER 43 -3.807 -1.725 14.528 339 HA SER 43 HA SER 43 -5.147 -2.147 17.085 340 HB2 SER 43 HB2 SER 43 -6.094 -0.771 14.554 341 HB3 SER 43 HB3 SER 43 -6.998 -0.871 16.059 342 HG SER 43 HG SER 43 -5.286 0.973 15.380 343 H VAL 44 H VAL 44 -7.366 -3.194 16.950 344 HA VAL 44 HA VAL 44 -7.081 -5.755 15.881 345 HB VAL 44 HB VAL 44 -9.547 -5.985 16.302 346 HG11 VAL 44 HG11 VAL 44 -7.924 -6.511 18.019 347 HG12 VAL 44 HG12 VAL 44 -7.867 -4.820 18.516 348 HG13 VAL 44 HG13 VAL 44 -9.345 -5.756 18.742 349 HG21 VAL 44 HG21 VAL 44 -10.239 -3.695 15.834 350 HG22 VAL 44 HG22 VAL 44 -10.698 -4.165 17.470 351 HG23 VAL 44 HG23 VAL 44 -9.301 -3.120 17.212 352 H GLY 45 H GLY 45 -6.971 -6.299 13.827 353 HA2 GLY 45 HA3 GLY 45 -7.778 -6.745 11.701 354 HA3 GLY 45 HA2 GLY 45 -9.154 -5.702 12.033 355 H GLU 46 H GLU 46 -6.646 -3.906 12.908 356 HA GLU 46 HA GLU 46 -6.892 -2.313 10.533 357 HB2 GLU 46 HB2 GLU 46 -6.890 -1.702 13.165 358 HB3 GLU 46 HB3 GLU 46 -5.198 -1.435 12.773 359 HG2 GLU 46 HG2 GLU 46 -6.204 0.635 12.511 360 HG3 GLU 46 HG3 GLU 46 -6.009 -0.012 10.882 361 H VAL 47 H VAL 47 -5.311 -1.863 9.138 362 HA VAL 47 HA VAL 47 -2.549 -2.490 9.911 363 HB VAL 47 HB VAL 47 -1.964 -2.591 7.504 364 HG11 VAL 47 HG11 VAL 47 -3.885 -4.672 8.532 365 HG12 VAL 47 HG12 VAL 47 -2.758 -4.900 7.195 366 HG13 VAL 47 HG13 VAL 47 -2.146 -4.605 8.821 367 HG21 VAL 47 HG21 VAL 47 -3.874 -1.474 6.538 368 HG22 VAL 47 HG22 VAL 47 -3.763 -3.111 5.892 369 HG23 VAL 47 HG23 VAL 47 -4.954 -2.733 7.138 370 H TYR 48 H TYR 48 -1.009 -0.972 9.493 371 HA TYR 48 HA TYR 48 -2.102 1.688 8.850 372 HB2 TYR 48 HB2 TYR 48 -1.601 1.250 11.297 373 HB3 TYR 48 HB3 TYR 48 0.091 1.106 10.850 374 HD1 TYR 48 HD1 TYR 48 -1.552 3.583 8.873 375 HD2 TYR 48 HD2 TYR 48 0.220 2.905 12.681 376 HE1 TYR 48 HE1 TYR 48 -1.266 6.009 9.169 377 HE2 TYR 48 HE2 TYR 48 0.505 5.324 12.985 378 HH TYR 48 HH TYR 48 -1.019 7.633 11.073 379 H ILE 49 H ILE 49 -1.148 2.648 7.225 380 HA ILE 49 HA ILE 49 1.325 1.530 6.127 381 HB ILE 49 HB ILE 49 -0.662 3.432 4.857 382 HG12 ILE 49 HG12 ILE 49 -0.159 0.486 4.381 383 HG13 ILE 49 HG13 ILE 49 -1.581 1.179 5.154 384 HG21 ILE 49 HG21 ILE 49 1.601 3.769 4.010 385 HG22 ILE 49 HG22 ILE 49 1.737 2.045 3.663 386 HG23 ILE 49 HG23 ILE 49 0.572 3.032 2.781 387 HD11 ILE 49 HD11 ILE 49 -2.173 2.290 3.065 388 HD12 ILE 49 HD12 ILE 49 -0.745 1.603 2.293 389 HD13 ILE 49 HD13 ILE 49 -2.039 0.545 2.856 390 H LYS 50 H LYS 50 3.054 2.465 6.849 391 HA LYS 50 HA LYS 50 2.999 5.353 7.380 392 HB2 LYS 50 HB2 LYS 50 4.563 3.222 8.846 393 HB3 LYS 50 HB3 LYS 50 4.638 4.949 9.166 394 HG2 LYS 50 HG2 LYS 50 2.208 4.880 9.707 395 HG3 LYS 50 HG3 LYS 50 2.285 3.122 9.568 396 HD2 LYS 50 HD2 LYS 50 2.479 3.805 11.896 397 HD3 LYS 50 HD3 LYS 50 3.984 3.068 11.339 398 HE2 LYS 50 HE2 LYS 50 4.981 5.251 11.045 399 HE3 LYS 50 HE3 LYS 50 3.463 6.036 11.474 400 HZ1 LYS 50 HZ1 LYS 50 5.157 5.930 13.278 401 HZ2 LYS 50 HZ2 LYS 50 4.950 4.247 13.312 402 HZ3 LYS 50 HZ3 LYS 50 3.648 5.268 13.693 403 H SER 51 H SER 51 4.789 6.534 6.822 404 HA SER 51 HA SER 51 6.756 5.425 5.066 405 HB2 SER 51 HB2 SER 51 5.863 7.769 4.877 406 HB3 SER 51 HB3 SER 51 6.571 8.123 6.448 407 HG SER 51 HG SER 51 8.320 8.570 5.419 408 H THR 52 H THR 52 8.671 4.637 5.671 409 HA THR 52 HA THR 52 9.499 4.799 8.411 410 HB THR 52 HB THR 52 11.323 4.101 6.109 411 HG1 THR 52 HG1 THR 52 9.849 2.633 5.608 412 HG21 THR 52 HG21 THR 52 11.066 3.108 8.945 413 HG22 THR 52 HG22 THR 52 12.297 4.212 8.332 414 HG23 THR 52 HG23 THR 52 12.253 2.540 7.771 415 H GLU 53 H GLU 53 11.960 5.549 6.103 416 HA GLU 53 HA GLU 53 11.814 8.359 6.920 417 HB2 GLU 53 HB2 GLU 53 14.035 7.242 6.825 418 HB3 GLU 53 HB3 GLU 53 13.813 7.001 5.097 419 HG2 GLU 53 HG2 GLU 53 15.234 8.896 5.463 420 HG3 GLU 53 HG3 GLU 53 13.693 9.443 4.802 421 H THR 54 H THR 54 11.741 6.334 4.053 422 HA THR 54 HA THR 54 10.546 8.519 2.509 423 HB THR 54 HB THR 54 11.439 7.183 0.528 424 HG1 THR 54 HG1 THR 54 13.440 6.011 1.386 425 HG21 THR 54 HG21 THR 54 13.657 8.203 0.748 426 HG22 THR 54 HG22 THR 54 13.379 8.447 2.472 427 HG23 THR 54 HG23 THR 54 12.397 9.313 1.290 428 H GLY 55 H GLY 55 8.834 6.451 4.048 429 HA2 GLY 55 HA3 GLY 55 8.516 4.440 1.942 430 HA3 GLY 55 HA2 GLY 55 7.981 4.275 3.597 431 H GLN 56 H GLN 56 6.465 6.846 3.509 432 HA GLN 56 HA GLN 56 5.157 7.612 1.324 433 HB2 GLN 56 HB2 GLN 56 4.277 4.945 1.734 434 HB3 GLN 56 HB3 GLN 56 2.923 6.006 2.099 435 HG2 GLN 56 HG2 GLN 56 4.535 6.054 -0.444 436 HG3 GLN 56 HG3 GLN 56 2.944 5.315 -0.249 437 HE21 GLN 56 HE21 GLN 56 3.833 7.560 -1.979 438 HE22 GLN 56 HE22 GLN 56 2.772 8.872 -1.558 439 H TYR 57 H TYR 57 3.873 9.276 1.754 440 HA TYR 57 HA TYR 57 2.752 9.455 4.482 441 HB2 TYR 57 HB2 TYR 57 3.047 11.784 2.592 442 HB3 TYR 57 HB3 TYR 57 2.812 11.815 4.328 443 HD1 TYR 57 HD2 TYR 57 5.317 10.873 1.732 444 HD2 TYR 57 HD1 TYR 57 4.626 11.993 5.781 445 HE1 TYR 57 HE2 TYR 57 7.742 11.075 2.084 446 HE2 TYR 57 HE1 TYR 57 7.047 12.201 6.138 447 HH TYR 57 HH TYR 57 9.279 12.301 3.618 448 H LEU 58 H LEU 58 1.224 7.933 3.485 449 HA LEU 58 HA LEU 58 -0.127 8.759 1.124 450 HB2 LEU 58 HB2 LEU 58 0.353 6.324 2.460 451 HB3 LEU 58 HB3 LEU 58 -1.382 6.479 2.232 452 HG LEU 58 HG LEU 58 0.571 6.914 -0.009 453 HD11 LEU 58 HD11 LEU 58 -0.855 4.352 0.739 454 HD12 LEU 58 HD12 LEU 58 0.099 4.615 -0.721 455 HD13 LEU 58 HD13 LEU 58 0.881 4.636 0.860 456 HD21 LEU 58 HD21 LEU 58 -2.374 6.283 0.060 457 HD22 LEU 58 HD22 LEU 58 -1.639 7.835 -0.345 458 HD23 LEU 58 HD23 LEU 58 -1.391 6.441 -1.396 459 H ALA 59 H ALA 59 -2.059 9.239 0.713 460 HA ALA 59 HA ALA 59 -4.101 9.474 2.763 461 HB1 ALA 59 HB1 ALA 59 -3.028 11.672 2.724 462 HB2 ALA 59 HB2 ALA 59 -3.248 11.761 0.977 463 HB3 ALA 59 HB3 ALA 59 -4.654 11.765 2.043 464 H MET 60 H MET 60 -5.710 8.226 1.894 465 HA MET 60 HA MET 60 -5.968 8.088 -1.003 466 HB2 MET 60 HB2 MET 60 -6.995 6.609 1.335 467 HB3 MET 60 HB3 MET 60 -8.119 6.738 -0.015 468 HG2 MET 60 HG2 MET 60 -6.699 4.689 -0.008 469 HG3 MET 60 HG3 MET 60 -6.621 5.645 -1.485 470 HE1 MET 60 HE1 MET 60 -3.300 5.604 1.723 471 HE2 MET 60 HE2 MET 60 -4.845 6.421 1.959 472 HE3 MET 60 HE3 MET 60 -4.788 4.662 1.839 473 H ASP 61 H ASP 61 -7.175 9.510 -2.152 474 HA ASP 61 HA ASP 61 -9.193 11.005 -0.624 475 HB2 ASP 61 HB2 ASP 61 -7.795 12.489 -1.765 476 HB3 ASP 61 HB3 ASP 61 -7.947 11.631 -3.295 477 H THR 62 H THR 62 -11.103 10.582 -0.754 478 HA THR 62 HA THR 62 -12.869 9.228 -0.864 479 HB THR 62 HB THR 62 -14.002 9.078 -2.880 480 HG1 THR 62 HG1 THR 62 -13.102 8.940 -4.833 481 HG21 THR 62 HG21 THR 62 -13.825 11.328 -3.843 482 HG22 THR 62 HG22 THR 62 -12.301 11.546 -2.982 483 HG23 THR 62 HG23 THR 62 -13.802 11.342 -2.079 484 H ASP 63 H ASP 63 -10.002 8.152 -2.260 485 HA ASP 63 HA ASP 63 -8.901 6.184 -1.999 486 HB2 ASP 63 HB2 ASP 63 -11.090 5.443 -0.567 487 HB3 ASP 63 HB3 ASP 63 -11.218 4.373 -1.964 488 H GLY 64 H GLY 64 -10.306 7.594 -4.200 489 HA2 GLY 64 HA3 GLY 64 -10.616 5.467 -6.172 490 HA3 GLY 64 HA2 GLY 64 -10.922 7.182 -6.428 491 H LEU 65 H LEU 65 -8.516 8.137 -5.365 492 HA LEU 65 HA LEU 65 -6.413 6.831 -6.918 493 HB2 LEU 65 HB2 LEU 65 -6.552 9.828 -6.804 494 HB3 LEU 65 HB3 LEU 65 -5.627 8.799 -7.880 495 HG LEU 65 HG LEU 65 -8.618 9.002 -7.977 496 HD11 LEU 65 HD11 LEU 65 -6.575 10.481 -9.629 497 HD12 LEU 65 HD12 LEU 65 -8.317 10.483 -9.907 498 HD13 LEU 65 HD13 LEU 65 -7.657 11.192 -8.433 499 HD21 LEU 65 HD21 LEU 65 -6.588 7.894 -9.912 500 HD22 LEU 65 HD22 LEU 65 -7.788 6.979 -8.996 501 HD23 LEU 65 HD23 LEU 65 -8.304 8.094 -10.263 502 H LEU 66 H LEU 66 -4.788 6.388 -5.685 503 HA LEU 66 HA LEU 66 -4.626 7.416 -2.968 504 HB2 LEU 66 HB2 LEU 66 -3.006 5.331 -4.440 505 HB3 LEU 66 HB3 LEU 66 -2.927 5.641 -2.724 506 HG LEU 66 HG LEU 66 -5.097 4.686 -2.376 507 HD11 LEU 66 HD11 LEU 66 -6.470 3.731 -4.139 508 HD12 LEU 66 HD12 LEU 66 -6.292 5.475 -4.341 509 HD13 LEU 66 HD13 LEU 66 -5.359 4.371 -5.351 510 HD21 LEU 66 HD21 LEU 66 -4.707 2.418 -3.042 511 HD22 LEU 66 HD22 LEU 66 -3.634 2.951 -4.347 512 HD23 LEU 66 HD23 LEU 66 -3.157 3.171 -2.655 513 H TYR 67 H TYR 67 -3.329 9.254 -2.560 514 HA TYR 67 HA TYR 67 -0.749 9.300 -3.931 515 HB2 TYR 67 HB2 TYR 67 -0.865 11.691 -4.342 516 HB3 TYR 67 HB3 TYR 67 -2.232 10.908 -5.118 517 HD1 TYR 67 HD1 TYR 67 -4.520 11.112 -4.060 518 HD2 TYR 67 HD2 TYR 67 -1.165 13.358 -2.707 519 HE1 TYR 67 HE1 TYR 67 -6.032 12.690 -2.938 520 HE2 TYR 67 HE2 TYR 67 -2.670 14.934 -1.574 521 HH TYR 67 HH TYR 67 -6.033 14.314 -1.180 522 H GLY 68 H GLY 68 0.944 10.255 -2.637 523 HA2 GLY 68 HA3 GLY 68 0.207 11.405 -0.091 524 HA3 GLY 68 HA2 GLY 68 0.918 9.797 0.045 525 H SER 69 H SER 69 1.661 12.909 0.364 526 HA SER 69 HA SER 69 4.452 12.246 0.095 527 HB2 SER 69 HB2 SER 69 3.271 14.465 -1.535 528 HB3 SER 69 HB3 SER 69 4.997 14.343 -1.186 529 HG SER 69 HG SER 69 4.080 11.967 -2.027 530 H GLN 70 H GLN 70 2.237 14.895 0.858 531 HA GLN 70 HA GLN 70 4.322 16.281 2.306 532 HB2 GLN 70 HB2 GLN 70 2.704 17.572 1.047 533 HB3 GLN 70 HB3 GLN 70 1.382 16.883 1.978 534 HG2 GLN 70 HG2 GLN 70 2.515 17.922 4.019 535 HG3 GLN 70 HG3 GLN 70 3.462 18.849 2.859 536 HE21 GLN 70 HE21 GLN 70 1.253 19.031 0.947 537 HE22 GLN 70 HE22 GLN 70 0.150 20.190 1.617 538 H THR 71 H THR 71 1.312 14.656 3.145 539 HA THR 71 HA THR 71 2.153 14.628 5.955 540 HB THR 71 HB THR 71 -0.355 14.787 6.430 541 HG1 THR 71 HG1 THR 71 -1.118 14.485 4.325 542 HG21 THR 71 HG21 THR 71 1.032 17.197 5.260 543 HG22 THR 71 HG22 THR 71 1.178 16.628 6.923 544 HG23 THR 71 HG23 THR 71 -0.368 17.237 6.332 545 HA PRO 72 HA PRO 72 0.220 10.556 5.557 546 HB2 PRO 72 HB2 PRO 72 1.440 9.361 7.612 547 HB3 PRO 72 HB3 PRO 72 2.311 9.703 6.108 548 HG2 PRO 72 HG2 PRO 72 2.657 10.936 8.744 549 HG3 PRO 72 HG3 PRO 72 3.706 11.041 7.321 550 HD2 PRO 72 HD2 PRO 72 1.652 12.930 8.258 551 HD3 PRO 72 HD3 PRO 72 2.945 13.181 7.064 552 H ASN 73 H ASN 73 -1.828 10.879 6.158 553 HA ASN 73 HA ASN 73 -2.465 11.748 8.902 554 HB2 ASN 73 HB2 ASN 73 -4.245 11.463 6.453 555 HB3 ASN 73 HB3 ASN 73 -4.735 12.136 8.004 556 HD21 ASN 73 HD21 ASN 73 -4.740 13.314 5.319 557 HD22 ASN 73 HD22 ASN 73 -3.788 14.759 5.452 558 H GLU 74 H GLU 74 -4.645 10.335 9.739 559 HA GLU 74 HA GLU 74 -4.128 7.797 8.362 560 HB2 GLU 74 HB2 GLU 74 -5.917 8.438 10.724 561 HB3 GLU 74 HB3 GLU 74 -5.856 6.863 9.951 562 HG2 GLU 74 HG2 GLU 74 -4.536 6.758 11.918 563 HG3 GLU 74 HG3 GLU 74 -3.436 6.747 10.543 564 H GLU 75 H GLU 75 -4.707 8.506 6.581 565 HA GLU 75 HA GLU 75 -7.512 7.950 5.965 566 HB2 GLU 75 HB2 GLU 75 -5.499 9.566 4.400 567 HB3 GLU 75 HB3 GLU 75 -7.135 9.185 3.855 568 HG2 GLU 75 HG2 GLU 75 -8.032 10.470 5.765 569 HG3 GLU 75 HG3 GLU 75 -6.382 10.908 6.209 570 H CYS 76 H CYS 76 -4.154 7.419 5.852 571 HA CYS 76 HA CYS 76 -4.097 5.606 3.669 572 HB2 CYS 76 HB2 CYS 76 -1.820 5.135 4.427 573 HB3 CYS 76 HB3 CYS 76 -2.138 6.868 4.387 574 HG CYS 76 HG CYS 76 -0.564 5.716 6.657 575 H LEU 77 H LEU 77 -5.504 5.150 6.690 576 HA LEU 77 HA LEU 77 -4.361 2.523 7.109 577 HB2 LEU 77 HB2 LEU 77 -5.631 2.425 9.200 578 HB3 LEU 77 HB3 LEU 77 -4.570 3.809 9.115 579 HG LEU 77 HG LEU 77 -6.621 5.200 8.545 580 HD11 LEU 77 HD11 LEU 77 -8.783 4.311 9.226 581 HD12 LEU 77 HD12 LEU 77 -8.119 3.377 7.886 582 HD13 LEU 77 HD13 LEU 77 -8.053 2.734 9.527 583 HD21 LEU 77 HD21 LEU 77 -7.335 5.299 10.890 584 HD22 LEU 77 HD22 LEU 77 -6.475 3.791 11.202 585 HD23 LEU 77 HD23 LEU 77 -5.580 5.236 10.728 586 H PHE 78 H PHE 78 -5.435 0.637 7.049 587 HA PHE 78 HA PHE 78 -8.082 0.667 5.883 588 HB2 PHE 78 HB2 PHE 78 -5.666 -0.826 4.850 589 HB3 PHE 78 HB3 PHE 78 -7.305 -1.057 4.276 590 HD1 PHE 78 HD2 PHE 78 -8.504 1.300 3.706 591 HD2 PHE 78 HD1 PHE 78 -4.336 0.489 3.542 592 HE1 PHE 78 HE2 PHE 78 -8.209 3.176 2.150 593 HE2 PHE 78 HE1 PHE 78 -4.029 2.371 1.989 594 HZ PHE 78 HZ PHE 78 -5.969 3.715 1.293 595 H LEU 79 H LEU 79 -9.118 -1.477 5.990 596 HA LEU 79 HA LEU 79 -8.398 -2.916 8.421 597 HB2 LEU 79 HB2 LEU 79 -10.761 -2.174 7.948 598 HB3 LEU 79 HB3 LEU 79 -10.787 -3.310 6.614 599 HG LEU 79 HG LEU 79 -10.295 -5.123 8.338 600 HD11 LEU 79 HD11 LEU 79 -9.544 -3.691 10.151 601 HD12 LEU 79 HD12 LEU 79 -11.123 -2.910 10.213 602 HD13 LEU 79 HD13 LEU 79 -10.965 -4.613 10.640 603 HD21 LEU 79 HD21 LEU 79 -12.646 -5.293 8.984 604 HD22 LEU 79 HD22 LEU 79 -12.904 -3.617 8.495 605 HD23 LEU 79 HD23 LEU 79 -12.474 -4.833 7.291 606 H GLU 80 H GLU 80 -7.707 -5.036 8.406 607 HA GLU 80 HA GLU 80 -6.569 -5.812 5.822 608 HB2 GLU 80 HB2 GLU 80 -5.300 -5.539 8.101 609 HB3 GLU 80 HB3 GLU 80 -5.926 -7.143 8.433 610 HG2 GLU 80 HG2 GLU 80 -4.287 -6.489 5.999 611 HG3 GLU 80 HG3 GLU 80 -3.590 -7.028 7.521 612 H ARG 81 H ARG 81 -7.189 -7.512 4.736 613 HA ARG 81 HA ARG 81 -8.779 -9.585 6.041 614 HB2 ARG 81 HB2 ARG 81 -10.348 -8.216 4.786 615 HB3 ARG 81 HB3 ARG 81 -9.331 -8.308 3.353 616 HG2 ARG 81 HG2 ARG 81 -9.736 -10.688 3.183 617 HG3 ARG 81 HG3 ARG 81 -10.697 -10.649 4.661 618 HD2 ARG 81 HD2 ARG 81 -12.375 -9.313 3.620 619 HD3 ARG 81 HD3 ARG 81 -11.366 -9.053 2.197 620 HE ARG 81 HE ARG 81 -11.586 -11.693 2.145 621 HH11 ARG 81 HH12 ARG 81 -14.069 -9.326 2.866 622 HH12 ARG 81 HH11 ARG 81 -15.336 -10.227 2.085 623 HH21 ARG 81 HH22 ARG 81 -13.247 -12.892 1.139 624 HH22 ARG 81 HH21 ARG 81 -14.868 -12.262 1.103 625 H LEU 82 H LEU 82 -7.481 -11.277 6.008 626 HA LEU 82 HA LEU 82 -5.565 -11.621 3.871 627 HB2 LEU 82 HB2 LEU 82 -5.827 -12.505 6.632 628 HB3 LEU 82 HB3 LEU 82 -5.353 -13.808 5.559 629 HG LEU 82 HG LEU 82 -3.914 -11.171 5.755 630 HD11 LEU 82 HD11 LEU 82 -2.194 -12.423 6.973 631 HD12 LEU 82 HD12 LEU 82 -3.725 -12.403 7.847 632 HD13 LEU 82 HD13 LEU 82 -3.232 -13.849 6.964 633 HD21 LEU 82 HD21 LEU 82 -3.222 -13.775 4.395 634 HD22 LEU 82 HD22 LEU 82 -3.651 -12.260 3.600 635 HD23 LEU 82 HD23 LEU 82 -2.153 -12.379 4.523 636 H GLU 83 H GLU 83 -6.237 -12.587 2.086 637 HA GLU 83 HA GLU 83 -8.224 -14.727 2.280 638 HB2 GLU 83 HB2 GLU 83 -6.966 -13.422 -0.147 639 HB3 GLU 83 HB3 GLU 83 -8.229 -14.644 -0.194 640 HG2 GLU 83 HG2 GLU 83 -8.489 -11.902 1.023 641 HG3 GLU 83 HG3 GLU 83 -9.101 -12.390 -0.556 642 H GLU 84 H GLU 84 -7.722 -16.870 1.691 643 HA GLU 84 HA GLU 84 -4.879 -17.365 2.101 644 HB2 GLU 84 HB2 GLU 84 -5.660 -19.756 2.456 645 HB3 GLU 84 HB3 GLU 84 -6.156 -18.566 3.646 646 HG2 GLU 84 HG2 GLU 84 -8.350 -18.417 2.487 647 HG3 GLU 84 HG3 GLU 84 -7.832 -19.747 1.448 648 H ASN 85 H ASN 85 -6.251 -16.595 -0.467 649 HA ASN 85 HA ASN 85 -5.210 -18.721 -2.154 650 HB2 ASN 85 HB2 ASN 85 -6.466 -16.062 -2.882 651 HB3 ASN 85 HB3 ASN 85 -5.951 -17.280 -4.045 652 HD21 ASN 85 HD21 ASN 85 -6.847 -19.504 -2.380 653 HD22 ASN 85 HD22 ASN 85 -8.578 -19.524 -2.483 654 H HIS 86 H HIS 86 -3.601 -17.409 -0.312 655 HA HIS 86 HA HIS 86 -1.493 -16.662 -0.054 656 HB2 HIS 86 HB2 HIS 86 -1.320 -17.222 -3.015 657 HB3 HIS 86 HB3 HIS 86 0.060 -16.869 -1.980 658 HD1 HIS 86 HD1 HIS 86 1.014 -18.767 -0.637 659 HD2 HIS 86 HD2 HIS 86 -2.601 -19.723 -2.443 660 HE1 HIS 86 HE1 HIS 86 0.709 -21.236 -0.269 661 HE2 HIS 86 HE2 HIS 86 -1.618 -21.709 -1.120 662 H TYR 87 H TYR 87 -3.266 -14.555 -0.138 663 HA TYR 87 HA TYR 87 -1.333 -12.536 -0.699 664 HB2 TYR 87 HB2 TYR 87 -2.754 -11.119 -2.160 665 HB3 TYR 87 HB3 TYR 87 -2.202 -12.597 -2.929 666 HD1 TYR 87 HD2 TYR 87 -5.135 -11.042 -1.273 667 HD2 TYR 87 HD1 TYR 87 -3.752 -14.074 -3.915 668 HE1 TYR 87 HE2 TYR 87 -7.458 -11.582 -1.861 669 HE2 TYR 87 HE1 TYR 87 -6.074 -14.622 -4.506 670 HH TYR 87 HH TYR 87 -8.297 -14.399 -3.655 671 H ASN 88 H ASN 88 -1.853 -10.462 0.100 672 HA ASN 88 HA ASN 88 -3.774 -10.501 2.308 673 HB2 ASN 88 HB2 ASN 88 -1.522 -8.637 1.527 674 HB3 ASN 88 HB3 ASN 88 -2.671 -8.251 2.796 675 HD21 ASN 88 HD21 ASN 88 -2.589 -9.336 4.741 676 HD22 ASN 88 HD22 ASN 88 -1.218 -10.303 5.195 677 H THR 89 H THR 89 -5.483 -9.143 2.401 678 HA THR 89 HA THR 89 -5.924 -7.413 0.059 679 HB THR 89 HB THR 89 -8.130 -8.784 1.609 680 HG1 THR 89 HG1 THR 89 -6.346 -9.885 -0.114 681 HG21 THR 89 HG21 THR 89 -7.970 -7.577 -1.168 682 HG22 THR 89 HG22 THR 89 -8.781 -6.863 0.230 683 HG23 THR 89 HG23 THR 89 -9.395 -8.358 -0.479 684 H TYR 90 H TYR 90 -7.229 -5.498 0.588 685 HA TYR 90 HA TYR 90 -7.458 -4.933 3.444 686 HB2 TYR 90 HB2 TYR 90 -6.109 -3.041 1.498 687 HB3 TYR 90 HB3 TYR 90 -6.412 -2.730 3.202 688 HD1 TYR 90 HD1 TYR 90 -5.327 -4.478 4.854 689 HD2 TYR 90 HD2 TYR 90 -4.030 -3.818 0.861 690 HE1 TYR 90 HE1 TYR 90 -3.137 -5.447 5.410 691 HE2 TYR 90 HE2 TYR 90 -1.837 -4.778 1.409 692 HH TYR 90 HH TYR 90 -1.259 -6.527 4.253 693 H ILE 91 H ILE 91 -9.154 -3.577 3.954 694 HA ILE 91 HA ILE 91 -10.829 -2.818 1.661 695 HB ILE 91 HB ILE 91 -11.671 -4.223 3.790 696 HG12 ILE 91 HG12 ILE 91 -13.959 -3.328 3.338 697 HG13 ILE 91 HG13 ILE 91 -13.226 -2.051 2.373 698 HG21 ILE 91 HG21 ILE 91 -12.861 -2.749 5.362 699 HG22 ILE 91 HG22 ILE 91 -11.110 -2.564 5.454 700 HG23 ILE 91 HG23 ILE 91 -12.081 -1.355 4.617 701 HD11 ILE 91 HD11 ILE 91 -14.087 -3.867 0.992 702 HD12 ILE 91 HD12 ILE 91 -12.338 -3.704 0.836 703 HD13 ILE 91 HD13 ILE 91 -13.018 -5.000 1.819 704 H SER 92 H SER 92 -11.706 -0.669 1.687 705 HA SER 92 HA SER 92 -9.667 1.161 2.638 706 HB2 SER 92 HB2 SER 92 -10.330 1.614 0.398 707 HB3 SER 92 HB3 SER 92 -12.042 1.433 0.787 708 HG SER 92 HG SER 92 -10.372 3.614 1.055 709 H LYS 93 H LYS 93 -9.938 1.543 4.789 710 HA LYS 93 HA LYS 93 -12.560 1.681 5.914 711 HB2 LYS 93 HB2 LYS 93 -9.819 1.738 6.844 712 HB3 LYS 93 HB3 LYS 93 -10.823 2.906 7.712 713 HG2 LYS 93 HG2 LYS 93 -12.465 0.894 7.895 714 HG3 LYS 93 HG3 LYS 93 -11.011 -0.061 7.591 715 HD2 LYS 93 HD2 LYS 93 -9.906 1.017 9.489 716 HD3 LYS 93 HD3 LYS 93 -11.353 1.978 9.790 717 HE2 LYS 93 HE2 LYS 93 -12.609 -0.149 10.128 718 HE3 LYS 93 HE3 LYS 93 -11.074 -1.016 9.996 719 HZ1 LYS 93 HZ1 LYS 93 -10.249 0.201 11.895 720 HZ2 LYS 93 HZ2 LYS 93 -11.686 -0.614 12.298 721 HZ3 LYS 93 HZ3 LYS 93 -11.708 1.060 12.019 722 H LYS 94 H LYS 94 -10.768 3.773 4.095 723 HA LYS 94 HA LYS 94 -11.655 6.290 5.016 724 HB2 LYS 94 HB2 LYS 94 -9.866 6.071 3.345 725 HB3 LYS 94 HB3 LYS 94 -10.993 5.346 2.211 726 HG2 LYS 94 HG2 LYS 94 -10.715 7.559 1.504 727 HG3 LYS 94 HG3 LYS 94 -12.283 7.518 2.308 728 HD2 LYS 94 HD2 LYS 94 -11.286 8.469 4.323 729 HD3 LYS 94 HD3 LYS 94 -9.700 8.478 3.544 730 HE2 LYS 94 HE2 LYS 94 -10.581 9.992 1.814 731 HE3 LYS 94 HE3 LYS 94 -12.140 10.005 2.636 732 HZ1 LYS 94 HZ1 LYS 94 -10.890 10.884 4.623 733 HZ2 LYS 94 HZ2 LYS 94 -11.041 11.934 3.312 734 HZ3 LYS 94 HZ3 LYS 94 -9.568 11.141 3.586 735 H HIS 95 H HIS 95 -12.784 4.685 2.061 736 HA HIS 95 HA HIS 95 -15.504 5.413 2.752 737 HB2 HIS 95 HB2 HIS 95 -14.247 4.388 0.228 738 HB3 HIS 95 HB3 HIS 95 -15.995 4.389 0.438 739 HD1 HIS 95 HD1 HIS 95 -13.882 7.186 1.738 740 HD2 HIS 95 HD2 HIS 95 -16.416 6.376 -1.445 741 HE1 HIS 95 HE1 HIS 95 -14.298 9.390 0.643 742 HE2 HIS 95 HE2 HIS 95 -16.003 8.911 -1.165 743 H ALA 96 H ALA 96 -14.505 3.532 4.480 744 HA ALA 96 HA ALA 96 -14.919 0.856 3.768 745 HB1 ALA 96 HB1 ALA 96 -15.311 2.126 6.476 746 HB2 ALA 96 HB2 ALA 96 -15.120 0.401 6.161 747 HB3 ALA 96 HB3 ALA 96 -13.791 1.512 5.824 748 H GLU 97 H GLU 97 -17.167 3.256 4.983 749 HA GLU 97 HA GLU 97 -19.285 1.471 5.526 750 HB2 GLU 97 HB2 GLU 97 -19.476 4.418 4.898 751 HB3 GLU 97 HB3 GLU 97 -20.628 3.450 5.806 752 HG2 GLU 97 HG2 GLU 97 -17.817 4.109 6.646 753 HG3 GLU 97 HG3 GLU 97 -19.294 4.824 7.286 754 H LYS 98 H LYS 98 -18.139 2.915 2.613 755 HA LYS 98 HA LYS 98 -20.674 2.470 1.232 756 HB2 LYS 98 HB2 LYS 98 -18.097 3.697 0.237 757 HB3 LYS 98 HB3 LYS 98 -19.605 3.612 -0.666 758 HG2 LYS 98 HG2 LYS 98 -20.686 5.001 1.050 759 HG3 LYS 98 HG3 LYS 98 -19.141 5.126 1.896 760 HD2 LYS 98 HD2 LYS 98 -18.156 6.178 -0.094 761 HD3 LYS 98 HD3 LYS 98 -19.718 6.074 -0.910 762 HE2 LYS 98 HE2 LYS 98 -19.163 7.604 1.631 763 HE3 LYS 98 HE3 LYS 98 -19.292 8.312 0.022 764 HZ1 LYS 98 HZ1 LYS 98 -21.355 8.573 1.183 765 HZ2 LYS 98 HZ2 LYS 98 -21.446 6.919 1.522 766 HZ3 LYS 98 HZ3 LYS 98 -21.588 7.468 -0.077 767 H ASN 99 H ASN 99 -18.015 0.671 2.001 768 HA ASN 99 HA ASN 99 -17.599 -1.516 1.494 769 HB2 ASN 99 HB2 ASN 99 -20.018 -1.648 0.767 770 HB3 ASN 99 HB3 ASN 99 -19.481 -1.282 -0.866 771 HD21 ASN 99 HD21 ASN 99 -17.749 -3.299 1.434 772 HD22 ASN 99 HD22 ASN 99 -17.937 -4.780 0.559 773 H TRP 100 H TRP 100 -16.273 0.893 0.368 774 HA TRP 100 HA TRP 100 -15.362 0.241 -2.236 775 HB2 TRP 100 HB2 TRP 100 -14.803 2.261 -0.147 776 HB3 TRP 100 HB3 TRP 100 -13.574 2.002 -1.378 777 HD1 TRP 100 HD1 TRP 100 -17.458 2.293 -1.805 778 HE1 TRP 100 HE1 TRP 100 -17.856 4.155 -3.560 779 HE3 TRP 100 HE3 TRP 100 -12.676 3.609 -2.546 780 HZ2 TRP 100 HZ2 TRP 100 -16.249 5.986 -5.075 781 HZ3 TRP 100 HZ3 TRP 100 -12.119 5.413 -4.147 782 HH2 TRP 100 HH2 TRP 100 -13.862 6.581 -5.372 783 H PHE 101 H PHE 101 -13.002 0.094 -2.683 784 HA PHE 101 HA PHE 101 -11.633 -1.636 -0.720 785 HB2 PHE 101 HB2 PHE 101 -11.654 -1.892 -3.740 786 HB3 PHE 101 HB3 PHE 101 -10.586 -2.793 -2.677 787 HD1 PHE 101 HD1 PHE 101 -14.155 -2.224 -3.483 788 HD2 PHE 101 HD2 PHE 101 -11.262 -4.838 -1.778 789 HE1 PHE 101 HE1 PHE 101 -15.876 -3.967 -3.245 790 HE2 PHE 101 HE2 PHE 101 -12.974 -6.588 -1.541 791 HZ PHE 101 HZ PHE 101 -15.216 -6.237 -2.446 792 H VAL 102 H VAL 102 -9.386 -1.234 -0.510 793 HA VAL 102 HA VAL 102 -8.424 1.154 -1.868 794 HB VAL 102 HB VAL 102 -7.741 1.100 0.407 795 HG11 VAL 102 HG11 VAL 102 -6.625 -1.653 -0.106 796 HG12 VAL 102 HG12 VAL 102 -6.488 -0.746 1.399 797 HG13 VAL 102 HG13 VAL 102 -8.070 -1.281 0.834 798 HG21 VAL 102 HG21 VAL 102 -5.290 1.063 0.227 799 HG22 VAL 102 HG22 VAL 102 -5.427 0.245 -1.330 800 HG23 VAL 102 HG23 VAL 102 -6.040 1.889 -1.139 801 H GLY 103 H GLY 103 -7.493 1.003 -3.789 802 HA2 GLY 103 HA3 GLY 103 -5.910 -1.416 -4.337 803 HA3 GLY 103 HA2 GLY 103 -7.066 -0.856 -5.515 804 H LEU 104 H LEU 104 -4.154 -1.205 -5.414 805 HA LEU 104 HA LEU 104 -3.536 1.428 -6.514 806 HB2 LEU 104 HB2 LEU 104 -1.205 1.121 -5.568 807 HB3 LEU 104 HB3 LEU 104 -2.481 1.634 -4.491 808 HG LEU 104 HG LEU 104 -2.623 -0.793 -3.738 809 HD11 LEU 104 HD11 LEU 104 0.065 -0.898 -5.102 810 HD12 LEU 104 HD12 LEU 104 -0.615 -2.132 -4.044 811 HD13 LEU 104 HD13 LEU 104 -1.372 -1.791 -5.599 812 HD21 LEU 104 HD21 LEU 104 -1.667 1.008 -2.423 813 HD22 LEU 104 HD22 LEU 104 -0.728 -0.472 -2.225 814 HD23 LEU 104 HD23 LEU 104 -0.125 0.821 -3.267 815 H LYS 105 H LYS 105 -2.332 1.434 -8.412 816 HA LYS 105 HA LYS 105 -1.386 -1.238 -9.181 817 HB2 LYS 105 HB2 LYS 105 -2.757 0.117 -10.831 818 HB3 LYS 105 HB3 LYS 105 -1.413 1.247 -10.894 819 HG2 LYS 105 HG2 LYS 105 -1.288 -0.223 -12.783 820 HG3 LYS 105 HG3 LYS 105 0.044 -0.587 -11.686 821 HD2 LYS 105 HD2 LYS 105 -1.238 -2.479 -10.774 822 HD3 LYS 105 HD3 LYS 105 -2.546 -2.126 -11.904 823 HE2 LYS 105 HE2 LYS 105 0.277 -2.800 -12.716 824 HE3 LYS 105 HE3 LYS 105 -1.036 -3.971 -12.627 825 HZ1 LYS 105 HZ1 LYS 105 -1.115 -1.543 -14.339 826 HZ2 LYS 105 HZ2 LYS 105 -2.191 -2.858 -14.359 827 HZ3 LYS 105 HZ3 LYS 105 -0.591 -3.062 -14.881 828 H LYS 106 H LYS 106 0.363 -1.537 -8.063 829 HA LYS 106 HA LYS 106 2.262 0.548 -7.695 830 HB2 LYS 106 HB2 LYS 106 3.274 -0.782 -6.191 831 HB3 LYS 106 HB3 LYS 106 1.814 -1.755 -6.326 832 HG2 LYS 106 HG2 LYS 106 4.364 -2.217 -7.863 833 HG3 LYS 106 HG3 LYS 106 3.872 -3.090 -6.411 834 HD2 LYS 106 HD2 LYS 106 1.965 -4.004 -7.550 835 HD3 LYS 106 HD3 LYS 106 2.286 -3.010 -8.971 836 HE2 LYS 106 HE2 LYS 106 3.000 -5.353 -9.253 837 HE3 LYS 106 HE3 LYS 106 4.332 -4.211 -9.403 838 HZ1 LYS 106 HZ1 LYS 106 4.858 -6.189 -8.052 839 HZ2 LYS 106 HZ2 LYS 106 3.693 -5.711 -6.925 840 HZ3 LYS 106 HZ3 LYS 106 5.052 -4.735 -7.200 841 H ASN 107 H ASN 107 1.606 -1.680 -10.210 842 HA ASN 107 HA ASN 107 4.294 -1.734 -11.168 843 HB2 ASN 107 HB2 ASN 107 2.852 -3.501 -11.909 844 HB3 ASN 107 HB3 ASN 107 1.645 -2.361 -12.488 845 HD21 ASN 107 HD21 ASN 107 4.733 -3.838 -13.139 846 HD22 ASN 107 HD22 ASN 107 4.831 -3.370 -14.802 847 H GLY 108 H GLY 108 1.793 0.511 -11.037 848 HA2 GLY 108 HA3 GLY 108 3.243 2.286 -12.898 849 HA3 GLY 108 HA2 GLY 108 1.490 2.311 -12.766 850 H SER 109 H SER 109 0.573 2.833 -10.866 851 HA SER 109 HA SER 109 1.838 4.418 -8.870 852 HB2 SER 109 HB2 SER 109 0.025 5.810 -10.880 853 HB3 SER 109 HB3 SER 109 0.786 6.543 -9.471 854 HG SER 109 HG SER 109 2.815 5.705 -10.640 855 H CYS 110 H CYS 110 0.082 4.989 -7.263 856 HA CYS 110 HA CYS 110 -1.692 2.674 -7.381 857 HB2 CYS 110 HB2 CYS 110 -0.843 4.559 -5.201 858 HB3 CYS 110 HB3 CYS 110 -1.788 3.093 -4.939 859 HG CYS 110 HG CYS 110 1.499 3.437 -5.712 860 H LYS 111 H LYS 111 -3.585 3.166 -8.338 861 HA LYS 111 HA LYS 111 -5.273 5.182 -7.167 862 HB2 LYS 111 HB2 LYS 111 -6.013 5.352 -9.815 863 HB3 LYS 111 HB3 LYS 111 -5.143 6.571 -8.907 864 HG2 LYS 111 HG2 LYS 111 -4.093 6.144 -11.060 865 HG3 LYS 111 HG3 LYS 111 -3.023 5.711 -9.731 866 HD2 LYS 111 HD2 LYS 111 -3.098 3.463 -10.214 867 HD3 LYS 111 HD3 LYS 111 -4.727 3.565 -10.910 868 HE2 LYS 111 HE2 LYS 111 -2.922 3.117 -12.575 869 HE3 LYS 111 HE3 LYS 111 -3.879 4.558 -12.915 870 HZ1 LYS 111 HZ1 LYS 111 -2.141 5.939 -12.071 871 HZ2 LYS 111 HZ2 LYS 111 -1.460 4.877 -13.204 872 HZ3 LYS 111 HZ3 LYS 111 -1.250 4.596 -11.550 873 H ARG 112 H ARG 112 -6.903 3.627 -6.390 874 HA ARG 112 HA ARG 112 -8.268 2.581 -8.743 875 HB2 ARG 112 HB2 ARG 112 -7.625 0.867 -6.363 876 HB3 ARG 112 HB3 ARG 112 -8.843 0.446 -7.556 877 HG2 ARG 112 HG2 ARG 112 -6.022 1.051 -8.347 878 HG3 ARG 112 HG3 ARG 112 -6.506 -0.563 -7.795 879 HD2 ARG 112 HD2 ARG 112 -6.582 -0.497 -10.211 880 HD3 ARG 112 HD3 ARG 112 -8.223 -0.622 -9.582 881 HE ARG 112 HE ARG 112 -7.861 2.052 -9.912 882 HH11 ARG 112 HH12 ARG 112 -7.436 -0.687 -12.045 883 HH12 ARG 112 HH11 ARG 112 -7.820 0.207 -13.482 884 HH21 ARG 112 HH22 ARG 112 -8.395 3.227 -11.774 885 HH22 ARG 112 HH21 ARG 112 -8.394 2.438 -13.328 886 H GLY 113 H GLY 113 -9.782 4.394 -8.322 887 HA2 GLY 113 HA3 GLY 113 -11.690 3.626 -6.235 888 HA3 GLY 113 HA2 GLY 113 -11.827 5.017 -7.314 889 HA PRO 114 HA PRO 114 -14.596 3.067 -10.075 890 HB2 PRO 114 HB2 PRO 114 -12.550 2.948 -12.239 891 HB3 PRO 114 HB3 PRO 114 -14.181 3.631 -12.263 892 HG2 PRO 114 HG2 PRO 114 -12.090 5.243 -12.118 893 HG3 PRO 114 HG3 PRO 114 -13.528 5.560 -11.123 894 HD2 PRO 114 HD2 PRO 114 -10.907 4.333 -10.334 895 HD3 PRO 114 HD3 PRO 114 -11.905 5.517 -9.461 896 H ARG 115 H ARG 115 -11.437 1.471 -9.856 897 HA ARG 115 HA ARG 115 -12.861 -1.011 -10.484 898 HB2 ARG 115 HB2 ARG 115 -10.115 -0.180 -11.344 899 HB3 ARG 115 HB3 ARG 115 -10.583 -1.874 -11.283 900 HG2 ARG 115 HG2 ARG 115 -11.870 0.294 -12.934 901 HG3 ARG 115 HG3 ARG 115 -10.885 -1.052 -13.519 902 HD2 ARG 115 HD2 ARG 115 -12.550 -2.638 -12.726 903 HD3 ARG 115 HD3 ARG 115 -13.521 -1.324 -12.075 904 HE ARG 115 HE ARG 115 -12.995 -1.662 -14.961 905 HH11 ARG 115 HH12 ARG 115 -15.100 -0.849 -12.282 906 HH12 ARG 115 HH11 ARG 115 -16.508 -0.649 -13.275 907 HH21 ARG 115 HH22 ARG 115 -14.859 -1.396 -16.278 908 HH22 ARG 115 HH21 ARG 115 -16.373 -0.959 -15.543 909 H THR 116 H THR 116 -11.933 0.392 -7.784 910 HA THR 116 HA THR 116 -10.712 -1.943 -6.656 911 HB THR 116 HB THR 116 -11.738 -0.828 -4.489 912 HG1 THR 116 HG1 THR 116 -11.296 1.590 -5.273 913 HG21 THR 116 HG21 THR 116 -9.609 0.358 -4.302 914 HG22 THR 116 HG22 THR 116 -9.355 0.191 -6.039 915 HG23 THR 116 HG23 THR 116 -9.385 -1.242 -5.008 916 H HIS 117 H HIS 117 -11.595 -3.702 -6.591 917 HA HIS 117 HA HIS 117 -13.784 -4.846 -5.594 918 HB2 HIS 117 HB2 HIS 117 -14.556 -3.142 -7.876 919 HB3 HIS 117 HB3 HIS 117 -14.923 -4.839 -8.166 920 HD1 HIS 117 HD1 HIS 117 -15.841 -1.955 -5.940 921 HD2 HIS 117 HD2 HIS 117 -17.056 -5.860 -6.704 922 HE1 HIS 117 HE1 HIS 117 -18.048 -2.222 -4.756 923 HE2 HIS 117 HE2 HIS 117 -18.722 -4.623 -5.152 924 H TYR 118 H TYR 118 -14.160 -6.967 -7.350 925 HA TYR 118 HA TYR 118 -11.418 -7.354 -8.239 926 HB2 TYR 118 HB2 TYR 118 -13.874 -9.066 -8.209 927 HB3 TYR 118 HB3 TYR 118 -12.544 -9.504 -9.276 928 HD1 TYR 118 HD2 TYR 118 -10.312 -10.064 -8.282 929 HD2 TYR 118 HD1 TYR 118 -13.763 -9.431 -5.871 930 HE1 TYR 118 HE2 TYR 118 -9.193 -11.176 -6.394 931 HE2 TYR 118 HE1 TYR 118 -12.652 -10.536 -3.978 932 HH TYR 118 HH TYR 118 -9.319 -11.213 -3.950 933 H GLY 119 H GLY 119 -11.503 -5.496 -9.441 934 HA2 GLY 119 HA3 GLY 119 -12.447 -5.897 -12.187 935 HA3 GLY 119 HA2 GLY 119 -11.977 -4.340 -11.493 936 H GLN 120 H GLN 120 -9.820 -5.367 -10.038 937 HA GLN 120 HA GLN 120 -7.822 -5.917 -12.112 938 HB2 GLN 120 HB2 GLN 120 -8.008 -3.505 -10.298 939 HB3 GLN 120 HB3 GLN 120 -6.453 -4.054 -10.933 940 HG2 GLN 120 HG2 GLN 120 -8.837 -3.246 -12.599 941 HG3 GLN 120 HG3 GLN 120 -7.459 -2.215 -12.227 942 HE21 GLN 120 HE21 GLN 120 -5.543 -4.429 -12.466 943 HE22 GLN 120 HE22 GLN 120 -5.391 -4.730 -14.159 944 H LYS 121 H LYS 121 -5.957 -6.911 -11.317 945 HA LYS 121 HA LYS 121 -6.082 -8.026 -8.661 946 HB2 LYS 121 HB2 LYS 121 -4.013 -8.241 -10.853 947 HB3 LYS 121 HB3 LYS 121 -3.858 -9.034 -9.292 948 HG2 LYS 121 HG2 LYS 121 -5.992 -10.224 -9.755 949 HG3 LYS 121 HG3 LYS 121 -5.969 -9.522 -11.375 950 HD2 LYS 121 HD2 LYS 121 -3.852 -10.600 -11.845 951 HD3 LYS 121 HD3 LYS 121 -3.787 -11.239 -10.201 952 HE2 LYS 121 HE2 LYS 121 -5.881 -12.486 -10.661 953 HE3 LYS 121 HE3 LYS 121 -5.804 -11.923 -12.333 954 HZ1 LYS 121 HZ1 LYS 121 -4.864 -14.126 -12.127 955 HZ2 LYS 121 HZ2 LYS 121 -3.764 -13.587 -10.956 956 HZ3 LYS 121 HZ3 LYS 121 -3.653 -13.020 -12.550 957 H ALA 122 H ALA 122 -5.602 -5.093 -9.454 958 HA ALA 122 HA ALA 122 -3.199 -4.372 -8.087 959 HB1 ALA 122 HB1 ALA 122 -4.125 -2.098 -8.176 960 HB2 ALA 122 HB2 ALA 122 -4.217 -2.896 -9.746 961 HB3 ALA 122 HB3 ALA 122 -5.662 -2.752 -8.746 962 H ILE 123 H ILE 123 -6.053 -5.690 -7.162 963 HA ILE 123 HA ILE 123 -6.135 -4.549 -4.485 964 HB ILE 123 HB ILE 123 -7.820 -6.811 -5.568 965 HG12 ILE 123 HG12 ILE 123 -8.030 -4.902 -7.086 966 HG13 ILE 123 HG13 ILE 123 -9.516 -5.145 -6.174 967 HG21 ILE 123 HG21 ILE 123 -8.334 -4.795 -3.374 968 HG22 ILE 123 HG22 ILE 123 -9.440 -6.071 -3.884 969 HG23 ILE 123 HG23 ILE 123 -7.895 -6.488 -3.141 970 HD11 ILE 123 HD11 ILE 123 -9.025 -2.802 -6.340 971 HD12 ILE 123 HD12 ILE 123 -8.846 -3.322 -4.664 972 HD13 ILE 123 HD13 ILE 123 -7.416 -3.054 -5.662 973 H LEU 124 H LEU 124 -4.181 -6.750 -5.963 974 HA LEU 124 HA LEU 124 -4.340 -8.735 -3.780 975 HB2 LEU 124 HB2 LEU 124 -2.868 -8.924 -6.410 976 HB3 LEU 124 HB3 LEU 124 -2.990 -10.195 -5.209 977 HG LEU 124 HG LEU 124 -5.185 -9.099 -6.956 978 HD11 LEU 124 HD11 LEU 124 -3.755 -10.753 -7.994 979 HD12 LEU 124 HD12 LEU 124 -3.991 -11.845 -6.629 980 HD13 LEU 124 HD13 LEU 124 -5.349 -11.435 -7.676 981 HD21 LEU 124 HD21 LEU 124 -6.077 -9.401 -4.703 982 HD22 LEU 124 HD22 LEU 124 -6.713 -10.617 -5.811 983 HD23 LEU 124 HD23 LEU 124 -5.442 -11.045 -4.666 984 H PHE 125 H PHE 125 -3.169 -7.947 -2.110 985 HA PHE 125 HA PHE 125 -0.724 -6.454 -2.705 986 HB2 PHE 125 HB2 PHE 125 -2.358 -6.756 -0.176 987 HB3 PHE 125 HB3 PHE 125 -0.897 -5.798 -0.296 988 HD1 PHE 125 HD1 PHE 125 -4.376 -6.095 -1.509 989 HD2 PHE 125 HD2 PHE 125 -0.950 -3.601 -1.112 990 HE1 PHE 125 HE1 PHE 125 -5.721 -4.145 -2.164 991 HE2 PHE 125 HE2 PHE 125 -2.291 -1.648 -1.769 992 HZ PHE 125 HZ PHE 125 -4.680 -1.921 -2.294 993 H LEU 126 H LEU 126 1.241 -6.947 -1.967 994 HA LEU 126 HA LEU 126 1.590 -9.141 -0.071 995 HB2 LEU 126 HB2 LEU 126 2.010 -10.020 -2.352 996 HB3 LEU 126 HB3 LEU 126 3.221 -8.776 -2.592 997 HG LEU 126 HG LEU 126 4.557 -9.760 -0.750 998 HD11 LEU 126 HD11 LEU 126 2.450 -11.916 -0.817 999 HD12 LEU 126 HD12 LEU 126 3.979 -12.003 0.059 1000 HD13 LEU 126 HD13 LEU 126 2.770 -10.803 0.514 1001 HD21 LEU 126 HD21 LEU 126 5.043 -10.354 -3.044 1002 HD22 LEU 126 HD22 LEU 126 5.268 -11.758 -2.000 1003 HD23 LEU 126 HD23 LEU 126 3.822 -11.625 -3.000 1004 HA PRO 127 HA PRO 127 4.350 -5.883 1.344 1005 HB2 PRO 127 HB2 PRO 127 3.872 -6.318 3.983 1006 HB3 PRO 127 HB3 PRO 127 2.730 -5.476 2.932 1007 HG2 PRO 127 HG2 PRO 127 2.468 -8.085 4.182 1008 HG3 PRO 127 HG3 PRO 127 1.246 -7.151 3.305 1009 HD2 PRO 127 HD2 PRO 127 2.964 -9.351 2.350 1010 HD3 PRO 127 HD3 PRO 127 1.453 -8.717 1.659 1011 H LEU 128 H LEU 128 6.441 -6.471 1.019 1012 HA LEU 128 HA LEU 128 7.529 -8.728 2.564 1013 HB2 LEU 128 HB2 LEU 128 8.602 -7.407 0.069 1014 HB3 LEU 128 HB3 LEU 128 9.338 -8.766 0.893 1015 HG LEU 128 HG LEU 128 6.628 -8.810 -0.438 1016 HD11 LEU 128 HD11 LEU 128 7.718 -10.229 -2.108 1017 HD12 LEU 128 HD12 LEU 128 8.424 -8.613 -2.064 1018 HD13 LEU 128 HD13 LEU 128 9.270 -9.967 -1.313 1019 HD21 LEU 128 HD21 LEU 128 6.770 -10.344 1.449 1020 HD22 LEU 128 HD22 LEU 128 6.759 -11.231 -0.076 1021 HD23 LEU 128 HD23 LEU 128 8.269 -11.014 0.807 1022 HA PRO 129 HA PRO 129 9.576 -5.447 4.763 1023 HB2 PRO 129 HB2 PRO 129 10.542 -6.882 6.791 1024 HB3 PRO 129 HB3 PRO 129 8.800 -6.647 6.585 1025 HG2 PRO 129 HG2 PRO 129 10.482 -9.025 5.909 1026 HG3 PRO 129 HG3 PRO 129 8.871 -8.966 6.645 1027 HD2 PRO 129 HD2 PRO 129 9.379 -9.430 3.956 1028 HD3 PRO 129 HD3 PRO 129 7.834 -8.860 4.616 1029 H VAL 130 H VAL 130 11.764 -4.807 5.447 1030 HA VAL 130 HA VAL 130 13.621 -5.622 3.381 1031 HB VAL 130 HB VAL 130 14.198 -3.794 5.708 1032 HG11 VAL 130 HG11 VAL 130 15.882 -2.819 4.229 1033 HG12 VAL 130 HG12 VAL 130 16.182 -4.529 4.534 1034 HG13 VAL 130 HG13 VAL 130 15.485 -4.017 2.997 1035 HG21 VAL 130 HG21 VAL 130 12.223 -2.990 4.526 1036 HG22 VAL 130 HG22 VAL 130 13.601 -1.930 4.240 1037 HG23 VAL 130 HG23 VAL 130 13.094 -3.072 2.995 1038 H SER 131 H SER 131 15.664 -6.471 3.667 1039 HA SER 131 HA SER 131 15.861 -8.507 5.679 1040 HB2 SER 131 HB2 SER 131 18.068 -8.962 4.475 1041 HB3 SER 131 HB3 SER 131 16.607 -9.122 3.500 1042 HG SER 131 HG SER 131 18.371 -7.899 2.522 1043 H SER 132 H SER 132 17.935 -8.753 6.945 1044 HA SER 132 HA SER 132 18.413 -6.170 8.214 1045 HB2 SER 132 HB2 SER 132 19.058 -8.982 9.125 1046 HB3 SER 132 HB3 SER 132 19.359 -7.521 10.067 1047 HG SER 132 HG SER 132 17.282 -7.313 10.464 1048 H ASP 133 H ASP 133 19.758 -5.413 6.517 1049 HA ASP 133 HA ASP 133 22.533 -6.307 6.861 1050 HB2 ASP 133 HB2 ASP 133 21.762 -7.070 4.660 1051 HB3 ASP 133 HB3 ASP 133 21.244 -5.432 4.262 Start of MODEL 4 1 H1 TYR 1 H1 TYR 1 16.749 -6.782 8.370 2 H2 TYR 1 H2 TYR 1 17.652 -7.426 7.095 3 H3 TYR 1 H3 TYR 1 16.267 -6.501 6.768 4 HA TYR 1 HA TYR 1 18.781 -5.547 8.010 5 HB2 TYR 1 HB2 TYR 1 19.033 -5.899 5.619 6 HB3 TYR 1 HB3 TYR 1 17.540 -5.034 5.294 7 HD1 TYR 1 HD1 TYR 1 20.550 -4.252 7.362 8 HD2 TYR 1 HD2 TYR 1 18.004 -3.067 4.166 9 HE1 TYR 1 HE1 TYR 1 21.839 -2.173 7.117 10 HE2 TYR 1 HE2 TYR 1 19.288 -0.987 3.909 11 HH TYR 1 HH TYR 1 20.748 0.455 5.301 12 H LYS 2 H LYS 2 16.090 -4.048 6.233 13 HA LYS 2 HA LYS 2 15.461 -2.501 8.657 14 HB2 LYS 2 HB2 LYS 2 15.299 -1.907 5.752 15 HB3 LYS 2 HB3 LYS 2 13.953 -1.339 6.724 16 HG2 LYS 2 HG2 LYS 2 15.615 0.400 6.426 17 HG3 LYS 2 HG3 LYS 2 15.491 -0.062 8.122 18 HD2 LYS 2 HD2 LYS 2 17.558 -1.091 8.127 19 HD3 LYS 2 HD3 LYS 2 17.548 -1.352 6.382 20 HE2 LYS 2 HE2 LYS 2 19.163 0.371 7.028 21 HE3 LYS 2 HE3 LYS 2 17.891 1.023 6.000 22 HZ1 LYS 2 HZ1 LYS 2 18.052 1.298 8.956 23 HZ2 LYS 2 HZ2 LYS 2 16.806 1.909 7.980 24 HZ3 LYS 2 HZ3 LYS 2 18.382 2.512 7.819 25 H LYS 3 H LYS 3 13.382 -2.650 9.479 26 HA LYS 3 HA LYS 3 11.917 -4.957 8.585 27 HB2 LYS 3 HB2 LYS 3 11.557 -3.122 10.929 28 HB3 LYS 3 HB3 LYS 3 10.400 -4.385 10.520 29 HG2 LYS 3 HG2 LYS 3 13.308 -4.766 11.199 30 HG3 LYS 3 HG3 LYS 3 11.916 -5.215 12.191 31 HD2 LYS 3 HD2 LYS 3 11.200 -6.808 10.486 32 HD3 LYS 3 HD3 LYS 3 12.560 -6.342 9.463 33 HE2 LYS 3 HE2 LYS 3 13.018 -8.431 10.627 34 HE3 LYS 3 HE3 LYS 3 14.116 -7.160 11.163 35 HZ1 LYS 3 HZ1 LYS 3 13.108 -8.599 12.948 36 HZ2 LYS 3 HZ2 LYS 3 11.631 -7.829 12.630 37 HZ3 LYS 3 HZ3 LYS 3 12.961 -6.927 13.175 38 HA PRO 4 HA PRO 4 9.075 -1.029 7.050 39 HB2 PRO 4 HB2 PRO 4 11.524 -0.805 5.332 40 HB3 PRO 4 HB3 PRO 4 10.274 0.405 5.652 41 HG2 PRO 4 HG2 PRO 4 12.680 0.357 6.931 42 HG3 PRO 4 HG3 PRO 4 11.201 1.017 7.649 43 HD2 PRO 4 HD2 PRO 4 12.698 -1.335 8.426 44 HD3 PRO 4 HD3 PRO 4 11.304 -0.592 9.230 45 H LYS 5 H LYS 5 7.731 -2.053 5.751 46 HA LYS 5 HA LYS 5 8.617 -4.345 4.198 47 HB2 LYS 5 HB2 LYS 5 5.920 -3.223 4.931 48 HB3 LYS 5 HB3 LYS 5 6.076 -4.385 3.625 49 HG2 LYS 5 HG2 LYS 5 5.455 -5.580 5.573 50 HG3 LYS 5 HG3 LYS 5 7.151 -5.947 5.255 51 HD2 LYS 5 HD2 LYS 5 7.802 -4.281 6.946 52 HD3 LYS 5 HD3 LYS 5 6.096 -3.977 7.282 53 HE2 LYS 5 HE2 LYS 5 5.801 -6.266 8.012 54 HE3 LYS 5 HE3 LYS 5 7.468 -6.647 7.580 55 HZ1 LYS 5 HZ1 LYS 5 8.218 -5.077 9.251 56 HZ2 LYS 5 HZ2 LYS 5 7.234 -6.267 9.952 57 HZ3 LYS 5 HZ3 LYS 5 6.616 -4.709 9.668 58 H LEU 6 H LEU 6 8.181 -4.518 1.992 59 HA LEU 6 HA LEU 6 8.129 -1.986 0.539 60 HB2 LEU 6 HB2 LEU 6 9.895 -3.385 -0.169 61 HB3 LEU 6 HB3 LEU 6 8.874 -4.811 -0.167 62 HG LEU 6 HG LEU 6 7.649 -3.162 -2.001 63 HD11 LEU 6 HD11 LEU 6 9.403 -2.466 -3.520 64 HD12 LEU 6 HD12 LEU 6 9.532 -1.643 -1.966 65 HD13 LEU 6 HD13 LEU 6 10.627 -2.971 -2.355 66 HD21 LEU 6 HD21 LEU 6 7.900 -5.551 -2.198 67 HD22 LEU 6 HD22 LEU 6 8.520 -4.757 -3.645 68 HD23 LEU 6 HD23 LEU 6 9.644 -5.377 -2.432 69 H LEU 7 H LEU 7 6.582 -1.576 -1.049 70 HA LEU 7 HA LEU 7 4.223 -3.318 -0.910 71 HB2 LEU 7 HB2 LEU 7 3.778 -1.005 -0.310 72 HB3 LEU 7 HB3 LEU 7 4.473 -0.455 -1.828 73 HG LEU 7 HG LEU 7 2.324 -2.358 -2.293 74 HD11 LEU 7 HD11 LEU 7 1.663 0.138 -0.739 75 HD12 LEU 7 HD12 LEU 7 0.498 -0.940 -1.508 76 HD13 LEU 7 HD13 LEU 7 1.487 -1.521 -0.168 77 HD21 LEU 7 HD21 LEU 7 3.221 -0.862 -4.005 78 HD22 LEU 7 HD22 LEU 7 1.502 -0.566 -3.746 79 HD23 LEU 7 HD23 LEU 7 2.700 0.538 -3.068 80 H TYR 8 H TYR 8 4.657 -4.893 -2.546 81 HA TYR 8 HA TYR 8 4.062 -3.522 -5.072 82 HB2 TYR 8 HB2 TYR 8 4.837 -5.471 -6.267 83 HB3 TYR 8 HB3 TYR 8 6.133 -4.740 -5.353 84 HD1 TYR 8 HD2 TYR 8 6.401 -5.958 -2.913 85 HD2 TYR 8 HD1 TYR 8 4.753 -7.699 -6.425 86 HE1 TYR 8 HE2 TYR 8 6.948 -8.198 -2.059 87 HE2 TYR 8 HE1 TYR 8 5.299 -9.937 -5.585 88 HH TYR 8 HH TYR 8 6.854 -10.972 -4.025 89 H CYS 9 H CYS 9 1.831 -3.452 -4.953 90 HA CYS 9 HA CYS 9 0.654 -6.161 -4.921 91 HB2 CYS 9 HB2 CYS 9 -0.982 -3.771 -4.244 92 HB3 CYS 9 HB3 CYS 9 -1.077 -5.417 -3.617 93 HG CYS 9 HG CYS 9 -0.239 -3.277 -1.742 94 H SER 10 H SER 10 1.315 -5.622 -7.316 95 HA SER 10 HA SER 10 -1.377 -6.215 -8.215 96 HB2 SER 10 HB2 SER 10 -0.364 -4.136 -9.456 97 HB3 SER 10 HB3 SER 10 0.779 -5.285 -10.148 98 HG SER 10 HG SER 10 -1.187 -6.482 -10.844 99 H ASN 11 H ASN 11 -1.082 -8.491 -9.422 100 HA ASN 11 HA ASN 11 1.420 -9.603 -8.449 101 HB2 ASN 11 HB2 ASN 11 -0.655 -11.004 -8.641 102 HB3 ASN 11 HB3 ASN 11 -0.532 -10.874 -10.393 103 HD21 ASN 11 HD21 ASN 11 -0.269 -13.067 -10.689 104 HD22 ASN 11 HD22 ASN 11 1.183 -13.902 -10.251 105 H GLY 12 H GLY 12 3.084 -8.647 -9.349 106 HA2 GLY 12 HA3 GLY 12 3.753 -9.178 -12.106 107 HA3 GLY 12 HA2 GLY 12 3.562 -7.468 -11.735 108 H GLY 13 H GLY 13 5.522 -6.586 -11.577 109 HA2 GLY 13 HA3 GLY 13 6.830 -7.090 -9.085 110 HA3 GLY 13 HA2 GLY 13 7.848 -7.541 -10.444 111 H HIS 14 H HIS 14 6.038 -4.878 -9.034 112 HA HIS 14 HA HIS 14 8.216 -3.065 -9.762 113 HB2 HIS 14 HB2 HIS 14 5.320 -2.682 -10.311 114 HB3 HIS 14 HB3 HIS 14 6.190 -1.293 -9.670 115 HD1 HIS 14 HD1 HIS 14 7.782 -3.715 -12.102 116 HD2 HIS 14 HD2 HIS 14 6.181 0.131 -12.040 117 HE1 HIS 14 HE1 HIS 14 8.381 -2.685 -14.319 118 HE2 HIS 14 HE2 HIS 14 7.429 -0.352 -14.255 119 H PHE 15 H PHE 15 8.108 -1.063 -8.188 120 HA PHE 15 HA PHE 15 7.214 -2.002 -5.555 121 HB2 PHE 15 HB2 PHE 15 9.920 -0.757 -6.118 122 HB3 PHE 15 HB3 PHE 15 9.331 -1.310 -4.560 123 HD1 PHE 15 HD2 PHE 15 8.171 -3.962 -5.489 124 HD2 PHE 15 HD1 PHE 15 11.867 -2.019 -6.298 125 HE1 PHE 15 HE2 PHE 15 9.230 -6.147 -5.873 126 HE2 PHE 15 HE1 PHE 15 12.934 -4.200 -6.680 127 HZ PHE 15 HZ PHE 15 11.617 -6.269 -6.468 128 H LEU 16 H LEU 16 6.307 -0.309 -4.349 129 HA LEU 16 HA LEU 16 5.957 2.166 -5.688 130 HB2 LEU 16 HB2 LEU 16 4.101 2.167 -4.440 131 HB3 LEU 16 HB3 LEU 16 4.670 0.757 -3.565 132 HG LEU 16 HG LEU 16 6.021 2.466 -2.152 133 HD11 LEU 16 HD11 LEU 16 3.924 4.287 -3.296 134 HD12 LEU 16 HD12 LEU 16 4.965 4.654 -1.921 135 HD13 LEU 16 HD13 LEU 16 5.668 4.415 -3.520 136 HD21 LEU 16 HD21 LEU 16 4.200 1.139 -1.252 137 HD22 LEU 16 HD22 LEU 16 4.128 2.788 -0.629 138 HD23 LEU 16 HD23 LEU 16 3.025 2.279 -1.907 139 H ARG 17 H ARG 17 6.846 3.953 -5.368 140 HA ARG 17 HA ARG 17 8.682 4.356 -3.153 141 HB2 ARG 17 HB2 ARG 17 10.510 4.411 -4.441 142 HB3 ARG 17 HB3 ARG 17 9.525 3.811 -5.766 143 HG2 ARG 17 HG2 ARG 17 9.514 6.729 -5.311 144 HG3 ARG 17 HG3 ARG 17 11.004 6.012 -5.924 145 HD2 ARG 17 HD2 ARG 17 9.367 4.818 -7.598 146 HD3 ARG 17 HD3 ARG 17 8.310 6.173 -7.187 147 HE ARG 17 HE ARG 17 11.050 6.796 -8.002 148 HH11 ARG 17 HH12 ARG 17 7.641 6.671 -8.828 149 HH12 ARG 17 HH11 ARG 17 7.814 7.749 -10.185 150 HH21 ARG 17 HH22 ARG 17 11.267 8.186 -9.820 151 HH22 ARG 17 HH21 ARG 17 9.853 8.590 -10.754 152 H ILE 18 H ILE 18 8.847 6.544 -2.522 153 HA ILE 18 HA ILE 18 6.629 8.148 -3.477 154 HB ILE 18 HB ILE 18 6.898 9.511 -1.554 155 HG12 ILE 18 HG12 ILE 18 9.280 7.906 -0.662 156 HG13 ILE 18 HG13 ILE 18 9.463 9.360 -1.638 157 HG21 ILE 18 HG21 ILE 18 6.593 7.877 0.256 158 HG22 ILE 18 HG22 ILE 18 5.705 7.432 -1.201 159 HG23 ILE 18 HG23 ILE 18 7.214 6.611 -0.804 160 HD11 ILE 18 HD11 ILE 18 8.158 9.206 1.069 161 HD12 ILE 18 HD12 ILE 18 9.769 9.834 0.720 162 HD13 ILE 18 HD13 ILE 18 8.344 10.662 0.093 163 H LEU 19 H LEU 19 6.808 10.101 -4.304 164 HA LEU 19 HA LEU 19 9.452 11.311 -4.663 165 HB2 LEU 19 HB2 LEU 19 8.845 12.009 -6.939 166 HB3 LEU 19 HB3 LEU 19 8.910 10.267 -6.796 167 HG LEU 19 HG LEU 19 6.293 11.739 -6.632 168 HD11 LEU 19 HD11 LEU 19 7.675 10.724 -9.114 169 HD12 LEU 19 HD12 LEU 19 6.021 11.333 -9.027 170 HD13 LEU 19 HD13 LEU 19 7.378 12.415 -8.712 171 HD21 LEU 19 HD21 LEU 19 5.409 9.593 -7.399 172 HD22 LEU 19 HD22 LEU 19 7.044 8.932 -7.450 173 HD23 LEU 19 HD23 LEU 19 6.331 9.402 -5.907 174 HA PRO 20 HA PRO 20 7.603 14.847 -2.990 175 HB2 PRO 20 HB2 PRO 20 8.742 16.636 -5.003 176 HB3 PRO 20 HB3 PRO 20 9.152 16.488 -3.290 177 HG2 PRO 20 HG2 PRO 20 10.843 15.678 -5.205 178 HG3 PRO 20 HG3 PRO 20 10.681 14.785 -3.680 179 HD2 PRO 20 HD2 PRO 20 9.468 14.186 -6.361 180 HD3 PRO 20 HD3 PRO 20 10.267 13.082 -5.218 181 H ASP 21 H ASP 21 6.470 13.815 -5.776 182 HA ASP 21 HA ASP 21 4.647 15.999 -6.357 183 HB2 ASP 21 HB2 ASP 21 5.344 14.588 -8.221 184 HB3 ASP 21 HB3 ASP 21 4.765 13.149 -7.388 185 H GLY 22 H GLY 22 4.890 13.224 -4.359 186 HA2 GLY 22 HA3 GLY 22 3.516 12.761 -2.520 187 HA3 GLY 22 HA2 GLY 22 2.267 13.784 -3.219 188 H THR 23 H THR 23 3.986 11.119 -4.793 189 HA THR 23 HA THR 23 1.401 9.832 -5.261 190 HB THR 23 HB THR 23 3.790 9.064 -6.791 191 HG1 THR 23 HG1 THR 23 2.507 11.601 -7.194 192 HG21 THR 23 HG21 THR 23 1.604 8.117 -7.273 193 HG22 THR 23 HG22 THR 23 2.164 9.072 -8.644 194 HG23 THR 23 HG23 THR 23 0.946 9.727 -7.551 195 H VAL 24 H VAL 24 1.170 7.679 -4.729 196 HA VAL 24 HA VAL 24 3.611 6.239 -3.922 197 HB VAL 24 HB VAL 24 2.062 5.777 -2.254 198 HG11 VAL 24 HG11 VAL 24 -0.358 5.506 -2.673 199 HG12 VAL 24 HG12 VAL 24 0.272 7.081 -3.161 200 HG13 VAL 24 HG13 VAL 24 -0.056 5.850 -4.379 201 HG21 VAL 24 HG21 VAL 24 1.057 3.567 -2.582 202 HG22 VAL 24 HG22 VAL 24 1.338 3.693 -4.320 203 HG23 VAL 24 HG23 VAL 24 2.706 3.616 -3.207 204 H ASP 25 H ASP 25 4.563 5.605 -5.807 205 HA ASP 25 HA ASP 25 2.891 3.917 -7.517 206 HB2 ASP 25 HB2 ASP 25 3.848 4.845 -9.588 207 HB3 ASP 25 HB3 ASP 25 2.940 6.051 -8.691 208 H GLY 26 H GLY 26 3.860 2.314 -8.776 209 HA2 GLY 26 HA3 GLY 26 6.409 1.602 -7.521 210 HA3 GLY 26 HA2 GLY 26 5.379 0.508 -8.392 211 H THR 27 H THR 27 8.138 1.374 -8.344 212 HA THR 27 HA THR 27 8.722 1.032 -11.155 213 HB THR 27 HB THR 27 9.851 3.205 -9.385 214 HG1 THR 27 HG1 THR 27 7.955 3.705 -10.642 215 HG21 THR 27 HG21 THR 27 11.459 3.697 -11.156 216 HG22 THR 27 HG22 THR 27 10.883 2.300 -12.067 217 HG23 THR 27 HG23 THR 27 11.686 2.069 -10.515 218 H ARG 28 H ARG 28 10.739 -0.368 -11.298 219 HA ARG 28 HA ARG 28 11.152 -1.403 -8.587 220 HB2 ARG 28 HB2 ARG 28 10.763 -3.104 -10.195 221 HB3 ARG 28 HB3 ARG 28 11.979 -2.455 -11.278 222 HG2 ARG 28 HG2 ARG 28 13.737 -3.109 -9.768 223 HG3 ARG 28 HG3 ARG 28 12.553 -3.646 -8.576 224 HD2 ARG 28 HD2 ARG 28 11.806 -5.407 -10.040 225 HD3 ARG 28 HD3 ARG 28 12.838 -4.814 -11.342 226 HE ARG 28 HE ARG 28 14.717 -5.305 -9.654 227 HH11 ARG 28 HH12 ARG 28 11.782 -7.195 -9.980 228 HH12 ARG 28 HH11 ARG 28 12.518 -8.662 -9.428 229 HH21 ARG 28 HH22 ARG 28 15.688 -7.231 -8.926 230 HH22 ARG 28 HH21 ARG 28 14.746 -8.695 -8.835 231 H ASP 29 H ASP 29 12.384 -0.107 -7.581 232 HA ASP 29 HA ASP 29 15.222 -0.494 -8.158 233 HB2 ASP 29 HB2 ASP 29 14.039 2.171 -7.326 234 HB3 ASP 29 HB3 ASP 29 15.756 1.789 -7.293 235 H ARG 30 H ARG 30 15.574 -1.909 -6.400 236 HA ARG 30 HA ARG 30 14.912 -0.694 -3.815 237 HB2 ARG 30 HB2 ARG 30 14.455 -2.788 -3.272 238 HB3 ARG 30 HB3 ARG 30 15.283 -3.445 -4.679 239 HG2 ARG 30 HG2 ARG 30 16.815 -2.547 -2.265 240 HG3 ARG 30 HG3 ARG 30 16.054 -4.138 -2.323 241 HD2 ARG 30 HD2 ARG 30 17.345 -4.764 -4.233 242 HD3 ARG 30 HD3 ARG 30 17.956 -3.122 -4.427 243 HE ARG 30 HE ARG 30 18.759 -3.865 -1.924 244 HH11 ARG 30 HH12 ARG 30 19.147 -5.210 -5.126 245 HH12 ARG 30 HH11 ARG 30 20.711 -5.880 -4.797 246 HH21 ARG 30 HH22 ARG 30 20.806 -4.736 -1.471 247 HH22 ARG 30 HH21 ARG 30 21.662 -5.611 -2.712 248 H SER 31 H SER 31 17.094 -0.562 -6.130 249 HA SER 31 HA SER 31 19.448 0.009 -4.625 250 HB2 SER 31 HB2 SER 31 18.791 1.184 -7.321 251 HB3 SER 31 HB3 SER 31 20.362 0.695 -6.682 252 HG SER 31 HG SER 31 18.568 -0.743 -8.095 253 H ASP 32 H ASP 32 16.419 1.548 -5.001 254 HA ASP 32 HA ASP 32 17.507 4.235 -4.723 255 HB2 ASP 32 HB2 ASP 32 15.525 3.597 -6.238 256 HB3 ASP 32 HB3 ASP 32 14.602 3.377 -4.759 257 H GLN 33 H GLN 33 15.866 5.446 -3.040 258 HA GLN 33 HA GLN 33 16.337 3.980 -0.540 259 HB2 GLN 33 HB2 GLN 33 16.752 6.127 0.514 260 HB3 GLN 33 HB3 GLN 33 17.800 5.868 -0.879 261 HG2 GLN 33 HG2 GLN 33 16.410 7.327 -2.229 262 HG3 GLN 33 HG3 GLN 33 15.314 7.565 -0.869 263 HE21 GLN 33 HE21 GLN 33 16.880 9.517 -2.385 264 HE22 GLN 33 HE22 GLN 33 17.878 10.329 -1.221 265 H HIS 34 H HIS 34 13.805 4.570 -2.415 266 HA HIS 34 HA HIS 34 12.192 5.924 -0.364 267 HB2 HIS 34 HB2 HIS 34 11.875 5.770 -3.348 268 HB3 HIS 34 HB3 HIS 34 10.621 6.399 -2.290 269 HD1 HIS 34 HD1 HIS 34 13.777 7.301 -3.955 270 HD2 HIS 34 HD2 HIS 34 11.340 8.844 -0.957 271 HE1 HIS 34 HE1 HIS 34 14.453 9.714 -3.700 272 HE2 HIS 34 HE2 HIS 34 12.833 10.673 -2.024 273 H ILE 35 H ILE 35 12.560 2.756 -1.444 274 HA ILE 35 HA ILE 35 9.710 2.225 -1.650 275 HB ILE 35 HB ILE 35 10.257 -0.012 -2.284 276 HG12 ILE 35 HG12 ILE 35 12.158 -0.356 -0.679 277 HG13 ILE 35 HG13 ILE 35 12.460 -0.962 -2.299 278 HG21 ILE 35 HG21 ILE 35 10.418 1.668 -4.006 279 HG22 ILE 35 HG22 ILE 35 12.106 1.971 -3.593 280 HG23 ILE 35 HG23 ILE 35 11.631 0.414 -4.272 281 HD11 ILE 35 HD11 ILE 35 13.718 1.206 -2.705 282 HD12 ILE 35 HD12 ILE 35 13.632 1.448 -0.961 283 HD13 ILE 35 HD13 ILE 35 14.457 0.035 -1.614 284 H GLN 36 H GLN 36 10.699 3.011 1.077 285 HA GLN 36 HA GLN 36 10.429 0.407 2.455 286 HB2 GLN 36 HB2 GLN 36 11.948 1.365 4.160 287 HB3 GLN 36 HB3 GLN 36 12.684 1.258 2.564 288 HG2 GLN 36 HG2 GLN 36 11.908 3.687 2.259 289 HG3 GLN 36 HG3 GLN 36 11.713 3.715 4.012 290 HE21 GLN 36 HE21 GLN 36 14.118 2.153 1.937 291 HE22 GLN 36 HE22 GLN 36 15.501 2.969 2.601 292 H LEU 37 H LEU 37 8.270 0.490 3.059 293 HA LEU 37 HA LEU 37 7.513 2.778 4.755 294 HB2 LEU 37 HB2 LEU 37 5.164 2.160 4.292 295 HB3 LEU 37 HB3 LEU 37 6.047 2.722 2.893 296 HG LEU 37 HG LEU 37 5.853 -0.227 3.324 297 HD11 LEU 37 HD11 LEU 37 3.567 0.558 3.683 298 HD12 LEU 37 HD12 LEU 37 3.643 1.480 2.180 299 HD13 LEU 37 HD13 LEU 37 3.714 -0.283 2.139 300 HD21 LEU 37 HD21 LEU 37 5.812 1.546 0.878 301 HD22 LEU 37 HD22 LEU 37 7.212 0.673 1.498 302 HD23 LEU 37 HD23 LEU 37 5.824 -0.217 0.874 303 H GLN 38 H GLN 38 6.448 2.374 6.727 304 HA GLN 38 HA GLN 38 7.085 -0.302 7.688 305 HB2 GLN 38 HB2 GLN 38 7.218 0.610 9.878 306 HB3 GLN 38 HB3 GLN 38 8.029 1.761 8.812 307 HG2 GLN 38 HG2 GLN 38 6.129 3.225 8.877 308 HG3 GLN 38 HG3 GLN 38 5.212 2.061 9.832 309 HE21 GLN 38 HE21 GLN 38 7.702 4.460 9.851 310 HE22 GLN 38 HE22 GLN 38 7.894 4.542 11.567 311 H LEU 39 H LEU 39 5.489 -1.682 7.520 312 HA LEU 39 HA LEU 39 2.735 -0.662 7.560 313 HB2 LEU 39 HB2 LEU 39 4.025 -2.079 5.597 314 HB3 LEU 39 HB3 LEU 39 3.197 -3.352 6.471 315 HG LEU 39 HG LEU 39 1.959 -0.973 5.092 316 HD11 LEU 39 HD11 LEU 39 1.684 -3.945 4.668 317 HD12 LEU 39 HD12 LEU 39 0.814 -2.693 3.781 318 HD13 LEU 39 HD13 LEU 39 2.568 -2.820 3.636 319 HD21 LEU 39 HD21 LEU 39 0.793 -1.300 7.183 320 HD22 LEU 39 HD22 LEU 39 -0.211 -1.865 5.846 321 HD23 LEU 39 HD23 LEU 39 0.642 -3.029 6.862 322 H SER 40 H SER 40 2.088 -0.892 9.595 323 HA SER 40 HA SER 40 2.532 -3.476 10.916 324 HB2 SER 40 HB2 SER 40 1.794 -0.820 12.161 325 HB3 SER 40 HB3 SER 40 2.243 -2.298 13.014 326 HG SER 40 HG SER 40 4.172 -1.466 12.915 327 H ALA 41 H ALA 41 0.765 -4.173 12.385 328 HA ALA 41 HA ALA 41 -1.911 -3.272 11.507 329 HB1 ALA 41 HB1 ALA 41 -1.572 -5.658 11.106 330 HB2 ALA 41 HB2 ALA 41 -1.081 -5.892 12.784 331 HB3 ALA 41 HB3 ALA 41 -2.741 -5.424 12.406 332 H GLU 42 H GLU 42 -2.604 -1.755 12.961 333 HA GLU 42 HA GLU 42 -1.010 -1.735 15.424 334 HB2 GLU 42 HB2 GLU 42 -0.855 0.099 13.604 335 HB3 GLU 42 HB3 GLU 42 -2.369 0.677 14.286 336 HG2 GLU 42 HG2 GLU 42 -1.406 1.320 16.251 337 HG3 GLU 42 HG3 GLU 42 -0.078 0.166 16.105 338 H SER 43 H SER 43 -4.252 -1.144 14.199 339 HA SER 43 HA SER 43 -5.267 -1.568 16.925 340 HB2 SER 43 HB2 SER 43 -6.904 -0.624 14.571 341 HB3 SER 43 HB3 SER 43 -7.277 -0.482 16.289 342 HG SER 43 HG SER 43 -6.402 1.418 14.972 343 H VAL 44 H VAL 44 -7.269 -2.963 16.976 344 HA VAL 44 HA VAL 44 -6.781 -5.403 15.685 345 HB VAL 44 HB VAL 44 -9.112 -5.999 16.426 346 HG11 VAL 44 HG11 VAL 44 -8.571 -5.957 18.814 347 HG12 VAL 44 HG12 VAL 44 -7.175 -6.414 17.839 348 HG13 VAL 44 HG13 VAL 44 -7.292 -4.783 18.500 349 HG21 VAL 44 HG21 VAL 44 -10.151 -3.790 16.291 350 HG22 VAL 44 HG22 VAL 44 -10.288 -4.449 17.920 351 HG23 VAL 44 HG23 VAL 44 -9.089 -3.203 17.573 352 H GLY 45 H GLY 45 -6.902 -5.740 13.587 353 HA2 GLY 45 HA3 GLY 45 -8.193 -6.229 11.682 354 HA3 GLY 45 HA2 GLY 45 -9.395 -5.068 12.227 355 H GLU 46 H GLU 46 -7.105 -3.112 12.759 356 HA GLU 46 HA GLU 46 -7.082 -2.110 10.024 357 HB2 GLU 46 HB2 GLU 46 -5.916 -0.471 12.195 358 HB3 GLU 46 HB3 GLU 46 -6.876 0.021 10.809 359 HG2 GLU 46 HG2 GLU 46 -8.822 -1.121 12.008 360 HG3 GLU 46 HG3 GLU 46 -7.756 -1.090 13.414 361 H VAL 47 H VAL 47 -5.360 -1.582 8.907 362 HA VAL 47 HA VAL 47 -2.721 -2.219 10.034 363 HB VAL 47 HB VAL 47 -1.899 -2.607 7.766 364 HG11 VAL 47 HG11 VAL 47 -2.616 -4.509 9.090 365 HG12 VAL 47 HG12 VAL 47 -4.271 -4.318 8.511 366 HG13 VAL 47 HG13 VAL 47 -2.991 -4.778 7.387 367 HG21 VAL 47 HG21 VAL 47 -3.481 -2.876 5.901 368 HG22 VAL 47 HG22 VAL 47 -4.787 -2.309 6.942 369 HG23 VAL 47 HG23 VAL 47 -3.460 -1.226 6.524 370 H TYR 48 H TYR 48 -1.053 -0.789 9.611 371 HA TYR 48 HA TYR 48 -2.019 1.869 8.784 372 HB2 TYR 48 HB2 TYR 48 -1.077 1.087 11.300 373 HB3 TYR 48 HB3 TYR 48 0.279 1.933 10.564 374 HD1 TYR 48 HD1 TYR 48 -0.227 4.273 9.565 375 HD2 TYR 48 HD2 TYR 48 -2.771 2.290 12.338 376 HE1 TYR 48 HE1 TYR 48 -1.244 6.428 10.166 377 HE2 TYR 48 HE2 TYR 48 -3.797 4.440 12.944 378 HH TYR 48 HH TYR 48 -3.296 6.805 12.879 379 H ILE 49 H ILE 49 -1.029 2.652 7.112 380 HA ILE 49 HA ILE 49 1.516 1.514 6.229 381 HB ILE 49 HB ILE 49 -0.484 3.230 4.730 382 HG12 ILE 49 HG12 ILE 49 0.203 0.292 4.464 383 HG13 ILE 49 HG13 ILE 49 -1.281 0.941 5.154 384 HG21 ILE 49 HG21 ILE 49 1.783 3.649 3.964 385 HG22 ILE 49 HG22 ILE 49 2.052 1.918 3.758 386 HG23 ILE 49 HG23 ILE 49 0.875 2.754 2.746 387 HD11 ILE 49 HD11 ILE 49 -0.378 1.248 2.299 388 HD12 ILE 49 HD12 ILE 49 -1.626 0.148 2.885 389 HD13 ILE 49 HD13 ILE 49 -1.870 1.893 2.986 390 H LYS 50 H LYS 50 3.122 2.563 7.136 391 HA LYS 50 HA LYS 50 2.905 5.484 7.373 392 HB2 LYS 50 HB2 LYS 50 4.240 3.585 9.316 393 HB3 LYS 50 HB3 LYS 50 4.145 5.334 9.479 394 HG2 LYS 50 HG2 LYS 50 1.692 5.163 9.596 395 HG3 LYS 50 HG3 LYS 50 1.832 3.408 9.522 396 HD2 LYS 50 HD2 LYS 50 3.074 5.132 11.662 397 HD3 LYS 50 HD3 LYS 50 1.521 4.314 11.823 398 HE2 LYS 50 HE2 LYS 50 2.687 2.153 11.439 399 HE3 LYS 50 HE3 LYS 50 4.220 3.024 11.425 400 HZ1 LYS 50 HZ1 LYS 50 3.988 2.225 13.598 401 HZ2 LYS 50 HZ2 LYS 50 2.347 2.637 13.689 402 HZ3 LYS 50 HZ3 LYS 50 3.529 3.856 13.709 403 H SER 51 H SER 51 4.815 6.665 7.118 404 HA SER 51 HA SER 51 6.788 5.495 5.418 405 HB2 SER 51 HB2 SER 51 6.753 8.190 6.816 406 HB3 SER 51 HB3 SER 51 7.787 7.735 5.466 407 HG SER 51 HG SER 51 5.887 8.990 4.917 408 H THR 52 H THR 52 8.676 4.667 5.996 409 HA THR 52 HA THR 52 9.601 4.834 8.697 410 HB THR 52 HB THR 52 11.367 4.261 6.319 411 HG1 THR 52 HG1 THR 52 9.992 2.711 5.830 412 HG21 THR 52 HG21 THR 52 12.434 2.722 7.900 413 HG22 THR 52 HG22 THR 52 11.244 3.160 9.126 414 HG23 THR 52 HG23 THR 52 12.389 4.365 8.539 415 H GLU 53 H GLU 53 11.951 5.732 6.322 416 HA GLU 53 HA GLU 53 11.712 8.514 7.227 417 HB2 GLU 53 HB2 GLU 53 13.986 7.587 7.103 418 HB3 GLU 53 HB3 GLU 53 13.764 7.260 5.389 419 HG2 GLU 53 HG2 GLU 53 13.552 9.642 4.946 420 HG3 GLU 53 HG3 GLU 53 13.727 9.987 6.665 421 H THR 54 H THR 54 11.687 6.600 4.284 422 HA THR 54 HA THR 54 10.401 8.792 2.817 423 HB THR 54 HB THR 54 11.250 7.600 0.788 424 HG1 THR 54 HG1 THR 54 13.165 6.166 1.588 425 HG21 THR 54 HG21 THR 54 13.576 8.335 1.061 426 HG22 THR 54 HG22 THR 54 13.336 8.456 2.805 427 HG23 THR 54 HG23 THR 54 12.453 9.527 1.716 428 H GLY 55 H GLY 55 8.738 6.720 4.393 429 HA2 GLY 55 HA3 GLY 55 8.686 4.582 2.431 430 HA3 GLY 55 HA2 GLY 55 8.134 4.460 4.076 431 H GLN 56 H GLN 56 6.185 6.778 3.738 432 HA GLN 56 HA GLN 56 4.844 6.937 1.377 433 HB2 GLN 56 HB2 GLN 56 4.541 4.483 1.437 434 HB3 GLN 56 HB3 GLN 56 3.636 4.645 2.936 435 HG2 GLN 56 HG2 GLN 56 2.221 4.350 0.954 436 HG3 GLN 56 HG3 GLN 56 1.907 5.847 1.831 437 HE21 GLN 56 HE21 GLN 56 1.021 6.863 0.082 438 HE22 GLN 56 HE22 GLN 56 1.967 7.401 -1.261 439 H TYR 57 H TYR 57 3.449 8.496 1.533 440 HA TYR 57 HA TYR 57 1.991 8.907 4.050 441 HB2 TYR 57 HB2 TYR 57 3.194 10.872 3.629 442 HB3 TYR 57 HB3 TYR 57 2.939 10.781 1.908 443 HD1 TYR 57 HD1 TYR 57 0.699 10.918 4.887 444 HD2 TYR 57 HD2 TYR 57 1.751 12.630 1.137 445 HE1 TYR 57 HE1 TYR 57 -1.110 12.561 5.139 446 HE2 TYR 57 HE2 TYR 57 -0.056 14.276 1.381 447 HH TYR 57 HH TYR 57 -2.166 14.548 2.572 448 H LEU 58 H LEU 58 0.793 7.000 3.108 449 HA LEU 58 HA LEU 58 -0.435 7.514 0.587 450 HB2 LEU 58 HB2 LEU 58 0.160 5.211 1.958 451 HB3 LEU 58 HB3 LEU 58 -1.603 5.268 1.985 452 HG LEU 58 HG LEU 58 -0.112 5.822 -0.541 453 HD11 LEU 58 HD11 LEU 58 -0.318 3.427 -1.133 454 HD12 LEU 58 HD12 LEU 58 0.743 3.663 0.258 455 HD13 LEU 58 HD13 LEU 58 -0.905 3.078 0.495 456 HD21 LEU 58 HD21 LEU 58 -2.485 6.326 -0.482 457 HD22 LEU 58 HD22 LEU 58 -2.184 4.958 -1.553 458 HD23 LEU 58 HD23 LEU 58 -2.851 4.688 0.057 459 H ALA 59 H ALA 59 -1.777 8.926 0.460 460 HA ALA 59 HA ALA 59 -3.851 9.305 2.470 461 HB1 ALA 59 HB1 ALA 59 -2.922 11.173 0.282 462 HB2 ALA 59 HB2 ALA 59 -4.034 11.562 1.594 463 HB3 ALA 59 HB3 ALA 59 -2.337 11.212 1.944 464 H MET 60 H MET 60 -5.687 8.280 1.973 465 HA MET 60 HA MET 60 -6.312 7.637 -0.774 466 HB2 MET 60 HB2 MET 60 -7.106 6.835 1.858 467 HB3 MET 60 HB3 MET 60 -8.556 7.315 0.984 468 HG2 MET 60 HG2 MET 60 -6.554 5.270 0.060 469 HG3 MET 60 HG3 MET 60 -8.112 4.923 0.809 470 HE1 MET 60 HE1 MET 60 -9.309 3.548 -0.941 471 HE2 MET 60 HE2 MET 60 -9.133 3.799 -2.677 472 HE3 MET 60 HE3 MET 60 -7.723 3.395 -1.697 473 H ASP 61 H ASP 61 -7.425 8.919 -2.175 474 HA ASP 61 HA ASP 61 -8.600 11.356 -1.039 475 HB2 ASP 61 HB2 ASP 61 -7.075 12.079 -2.504 476 HB3 ASP 61 HB3 ASP 61 -7.313 10.797 -3.669 477 H THR 62 H THR 62 -10.542 11.362 -0.799 478 HA THR 62 HA THR 62 -12.669 10.800 -0.668 479 HB THR 62 HB THR 62 -13.976 10.711 -2.658 480 HG1 THR 62 HG1 THR 62 -11.495 10.393 -3.979 481 HG21 THR 62 HG21 THR 62 -13.362 12.863 -3.658 482 HG22 THR 62 HG22 THR 62 -11.791 12.758 -2.864 483 HG23 THR 62 HG23 THR 62 -13.260 12.891 -1.898 484 H ASP 63 H ASP 63 -11.145 8.688 -3.029 485 HA ASP 63 HA ASP 63 -10.390 6.613 -1.629 486 HB2 ASP 63 HB2 ASP 63 -12.949 6.658 -0.935 487 HB3 ASP 63 HB3 ASP 63 -13.093 5.617 -2.346 488 H GLY 64 H GLY 64 -10.662 7.980 -4.379 489 HA2 GLY 64 HA3 GLY 64 -11.083 5.600 -6.073 490 HA3 GLY 64 HA2 GLY 64 -11.271 7.263 -6.613 491 H LEU 65 H LEU 65 -8.960 8.342 -5.599 492 HA LEU 65 HA LEU 65 -6.777 6.771 -6.779 493 HB2 LEU 65 HB2 LEU 65 -6.907 8.394 -8.387 494 HB3 LEU 65 HB3 LEU 65 -7.565 9.598 -7.292 495 HG LEU 65 HG LEU 65 -5.245 9.771 -6.281 496 HD11 LEU 65 HD11 LEU 65 -3.373 9.012 -7.652 497 HD12 LEU 65 HD12 LEU 65 -4.348 7.657 -7.080 498 HD13 LEU 65 HD13 LEU 65 -4.499 8.211 -8.747 499 HD21 LEU 65 HD21 LEU 65 -6.130 11.444 -7.810 500 HD22 LEU 65 HD22 LEU 65 -4.404 11.198 -8.079 501 HD23 LEU 65 HD23 LEU 65 -5.579 10.492 -9.188 502 H LEU 66 H LEU 66 -5.249 6.351 -5.347 503 HA LEU 66 HA LEU 66 -5.309 8.002 -2.901 504 HB2 LEU 66 HB2 LEU 66 -4.258 5.737 -1.974 505 HB3 LEU 66 HB3 LEU 66 -5.987 5.999 -2.066 506 HG LEU 66 HG LEU 66 -4.402 4.527 -4.181 507 HD11 LEU 66 HD11 LEU 66 -4.228 3.214 -2.223 508 HD12 LEU 66 HD12 LEU 66 -5.928 3.477 -1.824 509 HD13 LEU 66 HD13 LEU 66 -5.499 2.508 -3.235 510 HD21 LEU 66 HD21 LEU 66 -7.226 5.268 -3.904 511 HD22 LEU 66 HD22 LEU 66 -6.282 4.856 -5.342 512 HD23 LEU 66 HD23 LEU 66 -6.935 3.576 -4.308 513 H TYR 67 H TYR 67 -3.589 9.250 -2.647 514 HA TYR 67 HA TYR 67 -1.055 8.292 -3.812 515 HB2 TYR 67 HB2 TYR 67 -0.620 10.537 -4.725 516 HB3 TYR 67 HB3 TYR 67 -2.084 9.840 -5.411 517 HD1 TYR 67 HD1 TYR 67 -4.308 10.688 -4.706 518 HD2 TYR 67 HD2 TYR 67 -0.704 12.554 -3.423 519 HE1 TYR 67 HE1 TYR 67 -5.577 12.695 -4.081 520 HE2 TYR 67 HE2 TYR 67 -1.968 14.566 -2.793 521 HH TYR 67 HH TYR 67 -4.030 15.666 -3.256 522 H GLY 68 H GLY 68 0.809 8.924 -2.702 523 HA2 GLY 68 HA3 GLY 68 0.704 10.912 -0.665 524 HA3 GLY 68 HA2 GLY 68 0.676 9.291 0.010 525 H SER 69 H SER 69 2.716 11.234 0.422 526 HA SER 69 HA SER 69 4.822 9.331 -0.217 527 HB2 SER 69 HB2 SER 69 5.134 12.234 -0.870 528 HB3 SER 69 HB3 SER 69 6.424 11.035 -0.963 529 HG SER 69 HG SER 69 4.485 9.981 -2.326 530 H GLN 70 H GLN 70 4.347 12.392 1.654 531 HA GLN 70 HA GLN 70 6.971 11.989 2.779 532 HB2 GLN 70 HB2 GLN 70 4.954 14.168 3.264 533 HB3 GLN 70 HB3 GLN 70 6.558 14.135 3.979 534 HG2 GLN 70 HG2 GLN 70 6.939 15.485 2.193 535 HG3 GLN 70 HG3 GLN 70 7.322 13.920 1.479 536 HE21 GLN 70 HE21 GLN 70 5.066 16.552 1.582 537 HE22 GLN 70 HE22 GLN 70 4.168 16.100 0.166 538 H THR 71 H THR 71 3.719 11.761 4.132 539 HA THR 71 HA THR 71 4.927 11.298 6.800 540 HB THR 71 HB THR 71 2.590 12.541 7.422 541 HG1 THR 71 HG1 THR 71 1.999 13.890 5.875 542 HG21 THR 71 HG21 THR 71 4.794 13.057 8.361 543 HG22 THR 71 HG22 THR 71 3.954 14.531 7.880 544 HG23 THR 71 HG23 THR 71 5.242 13.879 6.868 545 HA PRO 72 HA PRO 72 1.240 8.598 6.988 546 HB2 PRO 72 HB2 PRO 72 1.537 7.557 9.418 547 HB3 PRO 72 HB3 PRO 72 2.733 7.259 8.146 548 HG2 PRO 72 HG2 PRO 72 3.008 8.881 10.584 549 HG3 PRO 72 HG3 PRO 72 4.270 8.274 9.501 550 HD2 PRO 72 HD2 PRO 72 2.965 10.915 9.535 551 HD3 PRO 72 HD3 PRO 72 4.466 10.414 8.720 552 H ASN 73 H ASN 73 -0.743 9.737 7.073 553 HA ASN 73 HA ASN 73 -1.521 11.014 9.618 554 HB2 ASN 73 HB2 ASN 73 -2.806 11.056 6.864 555 HB3 ASN 73 HB3 ASN 73 -3.554 11.742 8.299 556 HD21 ASN 73 HD21 ASN 73 -2.986 13.144 5.947 557 HD22 ASN 73 HD22 ASN 73 -1.809 14.362 6.331 558 H GLU 74 H GLU 74 -4.111 10.302 10.109 559 HA GLU 74 HA GLU 74 -4.164 7.657 8.834 560 HB2 GLU 74 HB2 GLU 74 -6.283 7.311 10.143 561 HB3 GLU 74 HB3 GLU 74 -4.847 7.509 11.133 562 HG2 GLU 74 HG2 GLU 74 -5.470 9.816 11.595 563 HG3 GLU 74 HG3 GLU 74 -6.896 9.641 10.573 564 H GLU 75 H GLU 75 -4.270 8.348 6.998 565 HA GLU 75 HA GLU 75 -6.972 8.618 5.957 566 HB2 GLU 75 HB2 GLU 75 -4.401 9.645 4.743 567 HB3 GLU 75 HB3 GLU 75 -5.961 9.638 3.923 568 HG2 GLU 75 HG2 GLU 75 -6.848 11.167 5.623 569 HG3 GLU 75 HG3 GLU 75 -5.273 11.188 6.412 570 H CYS 76 H CYS 76 -3.774 7.310 6.163 571 HA CYS 76 HA CYS 76 -4.047 5.543 3.926 572 HB2 CYS 76 HB2 CYS 76 -1.859 4.651 4.742 573 HB3 CYS 76 HB3 CYS 76 -1.876 6.390 4.471 574 HG CYS 76 HG CYS 76 -0.362 5.538 6.785 575 H LEU 77 H LEU 77 -5.468 5.260 6.953 576 HA LEU 77 HA LEU 77 -4.570 2.570 7.454 577 HB2 LEU 77 HB2 LEU 77 -6.090 2.584 9.407 578 HB3 LEU 77 HB3 LEU 77 -4.872 3.834 9.430 579 HG LEU 77 HG LEU 77 -6.717 5.422 8.617 580 HD11 LEU 77 HD11 LEU 77 -8.446 3.157 9.611 581 HD12 LEU 77 HD12 LEU 77 -8.997 4.782 9.198 582 HD13 LEU 77 HD13 LEU 77 -8.349 3.725 7.944 583 HD21 LEU 77 HD21 LEU 77 -7.522 5.738 10.901 584 HD22 LEU 77 HD22 LEU 77 -6.894 4.150 11.342 585 HD23 LEU 77 HD23 LEU 77 -5.785 5.434 10.864 586 H PHE 78 H PHE 78 -5.531 0.751 6.955 587 HA PHE 78 HA PHE 78 -8.250 0.895 5.919 588 HB2 PHE 78 HB2 PHE 78 -6.161 -0.776 4.520 589 HB3 PHE 78 HB3 PHE 78 -7.767 -0.368 3.970 590 HD1 PHE 78 HD2 PHE 78 -8.162 2.291 3.818 591 HD2 PHE 78 HD1 PHE 78 -4.412 0.303 3.473 592 HE1 PHE 78 HE2 PHE 78 -7.265 4.206 2.558 593 HE2 PHE 78 HE1 PHE 78 -3.509 2.216 2.217 594 HZ PHE 78 HZ PHE 78 -4.930 4.148 1.727 595 H LEU 79 H LEU 79 -9.226 -1.334 5.733 596 HA LEU 79 HA LEU 79 -8.621 -2.806 8.179 597 HB2 LEU 79 HB2 LEU 79 -10.945 -2.051 7.644 598 HB3 LEU 79 HB3 LEU 79 -10.939 -3.126 6.264 599 HG LEU 79 HG LEU 79 -10.432 -4.281 8.975 600 HD11 LEU 79 HD11 LEU 79 -12.377 -2.845 9.296 601 HD12 LEU 79 HD12 LEU 79 -13.153 -3.568 7.887 602 HD13 LEU 79 HD13 LEU 79 -12.838 -4.546 9.318 603 HD21 LEU 79 HD21 LEU 79 -11.885 -5.275 6.522 604 HD22 LEU 79 HD22 LEU 79 -10.239 -5.701 6.990 605 HD23 LEU 79 HD23 LEU 79 -11.599 -6.195 8.000 606 H GLU 80 H GLU 80 -8.003 -4.971 8.219 607 HA GLU 80 HA GLU 80 -6.745 -5.773 5.713 608 HB2 GLU 80 HB2 GLU 80 -5.342 -5.615 7.747 609 HB3 GLU 80 HB3 GLU 80 -6.334 -6.850 8.508 610 HG2 GLU 80 HG2 GLU 80 -5.654 -8.480 6.865 611 HG3 GLU 80 HG3 GLU 80 -4.738 -7.258 5.989 612 H ARG 81 H ARG 81 -7.320 -7.431 4.571 613 HA ARG 81 HA ARG 81 -9.063 -9.525 5.666 614 HB2 ARG 81 HB2 ARG 81 -10.426 -8.106 4.241 615 HB3 ARG 81 HB3 ARG 81 -9.216 -8.145 2.972 616 HG2 ARG 81 HG2 ARG 81 -11.097 -9.544 2.394 617 HG3 ARG 81 HG3 ARG 81 -9.655 -10.528 2.629 618 HD2 ARG 81 HD2 ARG 81 -11.343 -10.150 5.014 619 HD3 ARG 81 HD3 ARG 81 -12.071 -11.082 3.706 620 HE ARG 81 HE ARG 81 -9.704 -12.275 3.913 621 HH11 ARG 81 HH12 ARG 81 -12.026 -11.361 6.377 622 HH12 ARG 81 HH11 ARG 81 -11.526 -12.613 7.473 623 HH21 ARG 81 HH22 ARG 81 -9.082 -13.938 5.341 624 HH22 ARG 81 HH21 ARG 81 -9.885 -14.100 6.879 625 H LEU 82 H LEU 82 -7.820 -11.291 5.724 626 HA LEU 82 HA LEU 82 -5.554 -11.454 3.910 627 HB2 LEU 82 HB2 LEU 82 -4.803 -13.312 5.403 628 HB3 LEU 82 HB3 LEU 82 -4.932 -11.744 6.170 629 HG LEU 82 HG LEU 82 -7.354 -12.749 6.798 630 HD11 LEU 82 HD11 LEU 82 -7.097 -15.086 7.466 631 HD12 LEU 82 HD12 LEU 82 -6.950 -14.890 5.719 632 HD13 LEU 82 HD13 LEU 82 -5.505 -15.128 6.703 633 HD21 LEU 82 HD21 LEU 82 -4.781 -13.242 8.291 634 HD22 LEU 82 HD22 LEU 82 -5.751 -11.771 8.347 635 HD23 LEU 82 HD23 LEU 82 -6.401 -13.279 8.986 636 H GLU 83 H GLU 83 -5.449 -12.742 2.243 637 HA GLU 83 HA GLU 83 -7.599 -14.634 1.738 638 HB2 GLU 83 HB2 GLU 83 -6.822 -13.078 -0.036 639 HB3 GLU 83 HB3 GLU 83 -5.237 -13.833 0.017 640 HG2 GLU 83 HG2 GLU 83 -6.735 -14.555 -1.858 641 HG3 GLU 83 HG3 GLU 83 -6.064 -15.854 -0.872 642 H GLU 84 H GLU 84 -7.013 -16.857 0.966 643 HA GLU 84 HA GLU 84 -5.199 -17.903 2.998 644 HB2 GLU 84 HB2 GLU 84 -7.678 -18.631 2.518 645 HB3 GLU 84 HB3 GLU 84 -6.929 -19.636 1.284 646 HG2 GLU 84 HG2 GLU 84 -7.260 -20.872 3.347 647 HG3 GLU 84 HG3 GLU 84 -5.544 -20.704 2.975 648 H ASN 85 H ASN 85 -5.081 -17.172 -0.256 649 HA ASN 85 HA ASN 85 -3.069 -19.193 -0.848 650 HB2 ASN 85 HB2 ASN 85 -3.961 -16.829 -2.528 651 HB3 ASN 85 HB3 ASN 85 -2.912 -18.137 -3.064 652 HD21 ASN 85 HD21 ASN 85 -3.797 -20.173 -3.465 653 HD22 ASN 85 HD22 ASN 85 -5.501 -20.389 -3.687 654 H HIS 86 H HIS 86 -2.792 -17.405 1.292 655 HA HIS 86 HA HIS 86 -1.531 -15.824 2.302 656 HB2 HIS 86 HB2 HIS 86 0.108 -17.721 1.771 657 HB3 HIS 86 HB3 HIS 86 0.722 -16.669 0.498 658 HD1 HIS 86 HD1 HIS 86 2.462 -15.014 1.182 659 HD2 HIS 86 HD2 HIS 86 0.289 -16.461 4.422 660 HE1 HIS 86 HE1 HIS 86 3.536 -14.011 3.229 661 HE2 HIS 86 HE2 HIS 86 2.070 -14.735 5.151 662 H TYR 87 H TYR 87 -3.051 -14.532 0.656 663 HA TYR 87 HA TYR 87 -1.283 -12.459 -0.462 664 HB2 TYR 87 HB2 TYR 87 -3.889 -13.539 -1.479 665 HB3 TYR 87 HB3 TYR 87 -3.489 -11.851 -1.771 666 HD1 TYR 87 HD1 TYR 87 -1.471 -11.289 -3.136 667 HD2 TYR 87 HD2 TYR 87 -2.867 -15.285 -2.716 668 HE1 TYR 87 HE1 TYR 87 -0.129 -11.959 -5.085 669 HE2 TYR 87 HE2 TYR 87 -1.531 -15.965 -4.665 670 HH TYR 87 HH TYR 87 -0.514 -14.967 -6.644 671 H ASN 88 H ASN 88 -1.747 -10.330 0.131 672 HA ASN 88 HA ASN 88 -3.592 -10.096 2.387 673 HB2 ASN 88 HB2 ASN 88 -1.423 -8.281 1.319 674 HB3 ASN 88 HB3 ASN 88 -2.516 -7.819 2.610 675 HD21 ASN 88 HD21 ASN 88 -0.926 -7.598 4.133 676 HD22 ASN 88 HD22 ASN 88 -0.055 -8.946 4.782 677 H THR 89 H THR 89 -5.442 -8.987 2.280 678 HA THR 89 HA THR 89 -5.895 -7.279 -0.074 679 HB THR 89 HB THR 89 -8.101 -8.772 1.359 680 HG1 THR 89 HG1 THR 89 -6.182 -9.768 -0.330 681 HG21 THR 89 HG21 THR 89 -8.753 -6.893 -0.071 682 HG22 THR 89 HG22 THR 89 -9.266 -8.420 -0.792 683 HG23 THR 89 HG23 THR 89 -7.841 -7.581 -1.414 684 H TYR 90 H TYR 90 -7.398 -5.441 0.454 685 HA TYR 90 HA TYR 90 -7.665 -4.908 3.300 686 HB2 TYR 90 HB2 TYR 90 -5.988 -3.175 1.472 687 HB3 TYR 90 HB3 TYR 90 -6.534 -2.681 3.072 688 HD1 TYR 90 HD1 TYR 90 -5.840 -4.154 5.046 689 HD2 TYR 90 HD2 TYR 90 -3.983 -4.371 1.229 690 HE1 TYR 90 HE1 TYR 90 -3.899 -5.257 6.062 691 HE2 TYR 90 HE2 TYR 90 -2.028 -5.475 2.238 692 HH TYR 90 HH TYR 90 -2.056 -6.564 5.562 693 H ILE 91 H ILE 91 -9.095 -3.206 3.809 694 HA ILE 91 HA ILE 91 -10.813 -2.409 1.550 695 HB ILE 91 HB ILE 91 -11.519 -3.744 3.945 696 HG12 ILE 91 HG12 ILE 91 -13.815 -3.552 3.023 697 HG13 ILE 91 HG13 ILE 91 -13.218 -2.377 1.855 698 HG21 ILE 91 HG21 ILE 91 -12.626 -0.939 3.916 699 HG22 ILE 91 HG22 ILE 91 -13.180 -2.254 4.951 700 HG23 ILE 91 HG23 ILE 91 -11.543 -1.620 5.130 701 HD11 ILE 91 HD11 ILE 91 -13.445 -4.579 0.864 702 HD12 ILE 91 HD12 ILE 91 -11.756 -4.075 0.896 703 HD13 ILE 91 HD13 ILE 91 -12.347 -5.250 2.069 704 H SER 92 H SER 92 -11.446 -0.257 1.472 705 HA SER 92 HA SER 92 -9.442 1.471 2.598 706 HB2 SER 92 HB2 SER 92 -10.647 3.150 1.062 707 HB3 SER 92 HB3 SER 92 -9.763 1.826 0.304 708 HG SER 92 HG SER 92 -11.955 2.253 -0.487 709 H LYS 93 H LYS 93 -9.856 1.775 4.619 710 HA LYS 93 HA LYS 93 -12.461 2.241 5.651 711 HB2 LYS 93 HB2 LYS 93 -9.697 2.116 6.750 712 HB3 LYS 93 HB3 LYS 93 -10.985 2.795 7.758 713 HG2 LYS 93 HG2 LYS 93 -12.253 0.682 7.357 714 HG3 LYS 93 HG3 LYS 93 -10.825 0.049 6.543 715 HD2 LYS 93 HD2 LYS 93 -10.493 -0.788 8.651 716 HD3 LYS 93 HD3 LYS 93 -9.643 0.750 8.793 717 HE2 LYS 93 HE2 LYS 93 -12.540 0.638 9.483 718 HE3 LYS 93 HE3 LYS 93 -11.376 -0.039 10.616 719 HZ1 LYS 93 HZ1 LYS 93 -11.190 2.730 9.558 720 HZ2 LYS 93 HZ2 LYS 93 -10.324 2.049 10.854 721 HZ3 LYS 93 HZ3 LYS 93 -11.988 2.330 10.995 722 H LYS 94 H LYS 94 -10.475 4.194 3.941 723 HA LYS 94 HA LYS 94 -10.788 6.712 5.117 724 HB2 LYS 94 HB2 LYS 94 -9.435 6.286 3.046 725 HB3 LYS 94 HB3 LYS 94 -10.924 6.036 2.153 726 HG2 LYS 94 HG2 LYS 94 -10.151 8.212 1.653 727 HG3 LYS 94 HG3 LYS 94 -11.571 8.375 2.690 728 HD2 LYS 94 HD2 LYS 94 -8.917 8.305 4.017 729 HD3 LYS 94 HD3 LYS 94 -9.331 9.758 3.107 730 HE2 LYS 94 HE2 LYS 94 -11.047 8.535 5.265 731 HE3 LYS 94 HE3 LYS 94 -9.932 9.879 5.513 732 HZ1 LYS 94 HZ1 LYS 94 -11.199 11.205 3.970 733 HZ2 LYS 94 HZ2 LYS 94 -12.232 10.610 5.171 734 HZ3 LYS 94 HZ3 LYS 94 -12.236 9.908 3.629 735 H HIS 95 H HIS 95 -12.695 5.541 2.370 736 HA HIS 95 HA HIS 95 -15.010 6.752 3.671 737 HB2 HIS 95 HB2 HIS 95 -16.044 6.996 1.608 738 HB3 HIS 95 HB3 HIS 95 -14.347 7.201 1.194 739 HD1 HIS 95 HD1 HIS 95 -13.749 4.043 1.193 740 HD2 HIS 95 HD2 HIS 95 -16.753 6.036 -0.863 741 HE1 HIS 95 HE1 HIS 95 -14.498 2.468 -0.591 742 HE2 HIS 95 HE2 HIS 95 -16.090 3.818 -1.995 743 H ALA 96 H ALA 96 -14.058 4.501 4.847 744 HA ALA 96 HA ALA 96 -14.428 1.978 4.141 745 HB1 ALA 96 HB1 ALA 96 -13.644 2.698 6.348 746 HB2 ALA 96 HB2 ALA 96 -15.311 3.024 6.822 747 HB3 ALA 96 HB3 ALA 96 -14.806 1.374 6.451 748 H GLU 97 H GLU 97 -17.059 3.985 5.303 749 HA GLU 97 HA GLU 97 -19.061 2.134 5.689 750 HB2 GLU 97 HB2 GLU 97 -19.546 4.811 4.416 751 HB3 GLU 97 HB3 GLU 97 -20.581 3.937 5.536 752 HG2 GLU 97 HG2 GLU 97 -19.236 4.444 7.362 753 HG3 GLU 97 HG3 GLU 97 -17.863 4.884 6.346 754 H LYS 98 H LYS 98 -17.826 3.350 2.639 755 HA LYS 98 HA LYS 98 -20.275 2.519 1.264 756 HB2 LYS 98 HB2 LYS 98 -18.005 4.280 0.606 757 HB3 LYS 98 HB3 LYS 98 -18.768 3.451 -0.744 758 HG2 LYS 98 HG2 LYS 98 -19.789 5.592 -0.494 759 HG3 LYS 98 HG3 LYS 98 -20.952 4.360 -0.014 760 HD2 LYS 98 HD2 LYS 98 -21.157 6.051 1.599 761 HD3 LYS 98 HD3 LYS 98 -20.182 4.806 2.377 762 HE2 LYS 98 HE2 LYS 98 -18.183 6.044 2.043 763 HE3 LYS 98 HE3 LYS 98 -18.995 7.184 0.969 764 HZ1 LYS 98 HZ1 LYS 98 -20.431 7.713 2.991 765 HZ2 LYS 98 HZ2 LYS 98 -18.844 8.306 2.975 766 HZ3 LYS 98 HZ3 LYS 98 -19.226 6.947 3.912 767 H ASN 99 H ASN 99 -17.340 1.053 1.996 768 HA ASN 99 HA ASN 99 -17.030 -1.200 1.837 769 HB2 ASN 99 HB2 ASN 99 -19.573 -1.205 1.431 770 HB3 ASN 99 HB3 ASN 99 -19.167 -1.430 -0.265 771 HD21 ASN 99 HD21 ASN 99 -18.341 -3.405 -0.941 772 HD22 ASN 99 HD22 ASN 99 -18.316 -4.810 0.069 773 H TRP 100 H TRP 100 -15.902 0.881 -0.190 774 HA TRP 100 HA TRP 100 -15.229 -0.813 -2.425 775 HB2 TRP 100 HB2 TRP 100 -14.059 1.802 -1.495 776 HB3 TRP 100 HB3 TRP 100 -13.376 0.888 -2.825 777 HD1 TRP 100 HD1 TRP 100 -16.921 0.477 -3.414 778 HE1 TRP 100 HE1 TRP 100 -17.824 2.312 -4.999 779 HE3 TRP 100 HE3 TRP 100 -13.025 3.734 -3.154 780 HZ2 TRP 100 HZ2 TRP 100 -16.951 4.849 -5.996 781 HZ3 TRP 100 HZ3 TRP 100 -13.115 5.828 -4.425 782 HH2 TRP 100 HH2 TRP 100 -15.016 6.389 -5.805 783 H PHE 101 H PHE 101 -12.921 -1.196 -2.923 784 HA PHE 101 HA PHE 101 -11.507 -2.264 -0.585 785 HB2 PHE 101 HB2 PHE 101 -10.906 -2.720 -3.521 786 HB3 PHE 101 HB3 PHE 101 -10.223 -3.591 -2.159 787 HD1 PHE 101 HD1 PHE 101 -13.413 -2.967 -3.961 788 HD2 PHE 101 HD2 PHE 101 -11.208 -5.560 -1.407 789 HE1 PHE 101 HE1 PHE 101 -15.194 -4.658 -4.139 790 HE2 PHE 101 HE2 PHE 101 -12.980 -7.254 -1.585 791 HZ PHE 101 HZ PHE 101 -14.925 -6.844 -3.079 792 H VAL 102 H VAL 102 -9.318 -1.542 -0.214 793 HA VAL 102 HA VAL 102 -8.629 0.886 -1.676 794 HB VAL 102 HB VAL 102 -8.235 1.061 0.679 795 HG11 VAL 102 HG11 VAL 102 -6.692 -0.409 1.879 796 HG12 VAL 102 HG12 VAL 102 -8.066 -1.302 1.227 797 HG13 VAL 102 HG13 VAL 102 -6.499 -1.388 0.425 798 HG21 VAL 102 HG21 VAL 102 -6.613 2.155 -0.752 799 HG22 VAL 102 HG22 VAL 102 -5.842 1.577 0.726 800 HG23 VAL 102 HG23 VAL 102 -5.629 0.691 -0.784 801 H GLY 103 H GLY 103 -7.489 0.757 -3.498 802 HA2 GLY 103 HA3 GLY 103 -5.565 -1.454 -3.724 803 HA3 GLY 103 HA2 GLY 103 -6.724 -1.188 -5.002 804 H LEU 104 H LEU 104 -3.928 -1.244 -5.133 805 HA LEU 104 HA LEU 104 -3.556 1.415 -6.300 806 HB2 LEU 104 HB2 LEU 104 -1.038 0.935 -5.673 807 HB3 LEU 104 HB3 LEU 104 -2.128 1.812 -4.627 808 HG LEU 104 HG LEU 104 -2.531 -0.397 -3.439 809 HD11 LEU 104 HD11 LEU 104 -0.748 -2.047 -3.633 810 HD12 LEU 104 HD12 LEU 104 -1.611 -1.867 -5.160 811 HD13 LEU 104 HD13 LEU 104 -0.026 -1.122 -4.949 812 HD21 LEU 104 HD21 LEU 104 -0.481 -0.096 -2.127 813 HD22 LEU 104 HD22 LEU 104 0.182 0.909 -3.421 814 HD23 LEU 104 HD23 LEU 104 -1.246 1.442 -2.529 815 H LYS 105 H LYS 105 -2.411 1.467 -8.274 816 HA LYS 105 HA LYS 105 -1.527 -1.208 -9.130 817 HB2 LYS 105 HB2 LYS 105 -2.911 0.287 -10.687 818 HB3 LYS 105 HB3 LYS 105 -1.485 1.310 -10.789 819 HG2 LYS 105 HG2 LYS 105 -1.511 -0.098 -12.701 820 HG3 LYS 105 HG3 LYS 105 -0.221 -0.670 -11.640 821 HD2 LYS 105 HD2 LYS 105 -1.613 -2.473 -10.847 822 HD3 LYS 105 HD3 LYS 105 -2.994 -1.856 -11.756 823 HE2 LYS 105 HE2 LYS 105 -1.756 -2.238 -13.850 824 HE3 LYS 105 HE3 LYS 105 -0.415 -2.901 -12.919 825 HZ1 LYS 105 HZ1 LYS 105 -3.170 -4.009 -12.965 826 HZ2 LYS 105 HZ2 LYS 105 -1.838 -4.674 -12.149 827 HZ3 LYS 105 HZ3 LYS 105 -1.861 -4.624 -13.845 828 H LYS 106 H LYS 106 0.226 -1.503 -7.940 829 HA LYS 106 HA LYS 106 2.209 0.492 -7.686 830 HB2 LYS 106 HB2 LYS 106 3.191 -0.866 -6.207 831 HB3 LYS 106 HB3 LYS 106 1.762 -1.883 -6.384 832 HG2 LYS 106 HG2 LYS 106 4.295 -2.214 -7.985 833 HG3 LYS 106 HG3 LYS 106 3.927 -3.098 -6.508 834 HD2 LYS 106 HD2 LYS 106 2.069 -4.196 -7.546 835 HD3 LYS 106 HD3 LYS 106 2.196 -3.168 -8.977 836 HE2 LYS 106 HE2 LYS 106 4.402 -4.115 -9.458 837 HE3 LYS 106 HE3 LYS 106 4.278 -5.138 -8.031 838 HZ1 LYS 106 HZ1 LYS 106 2.487 -5.263 -10.405 839 HZ2 LYS 106 HZ2 LYS 106 2.404 -6.268 -9.040 840 HZ3 LYS 106 HZ3 LYS 106 3.748 -6.334 -10.060 841 H ASN 107 H ASN 107 1.449 -1.749 -10.185 842 HA ASN 107 HA ASN 107 4.125 -1.728 -11.213 843 HB2 ASN 107 HB2 ASN 107 1.889 -3.279 -11.733 844 HB3 ASN 107 HB3 ASN 107 2.059 -2.308 -13.194 845 HD21 ASN 107 HD21 ASN 107 3.847 -2.571 -14.498 846 HD22 ASN 107 HD22 ASN 107 4.949 -3.901 -14.319 847 H GLY 108 H GLY 108 1.595 0.417 -11.039 848 HA2 GLY 108 HA3 GLY 108 2.898 2.150 -13.047 849 HA3 GLY 108 HA2 GLY 108 1.154 2.160 -12.809 850 H SER 109 H SER 109 0.337 2.744 -10.921 851 HA SER 109 HA SER 109 1.699 4.301 -8.949 852 HB2 SER 109 HB2 SER 109 0.297 6.377 -9.542 853 HB3 SER 109 HB3 SER 109 1.681 6.052 -10.584 854 HG SER 109 HG SER 109 0.371 5.461 -12.188 855 H CYS 110 H CYS 110 -0.019 5.005 -7.275 856 HA CYS 110 HA CYS 110 -1.848 2.724 -7.175 857 HB2 CYS 110 HB2 CYS 110 -0.554 2.856 -5.272 858 HB3 CYS 110 HB3 CYS 110 -0.521 4.611 -5.290 859 HG CYS 110 HG CYS 110 -2.728 5.039 -3.924 860 H LYS 111 H LYS 111 -3.802 3.186 -8.147 861 HA LYS 111 HA LYS 111 -5.444 5.168 -6.919 862 HB2 LYS 111 HB2 LYS 111 -6.364 5.927 -9.076 863 HB3 LYS 111 HB3 LYS 111 -4.695 6.411 -8.843 864 HG2 LYS 111 HG2 LYS 111 -5.562 4.059 -10.521 865 HG3 LYS 111 HG3 LYS 111 -5.250 5.668 -11.163 866 HD2 LYS 111 HD2 LYS 111 -2.904 5.450 -10.257 867 HD3 LYS 111 HD3 LYS 111 -3.270 3.756 -9.883 868 HE2 LYS 111 HE2 LYS 111 -2.117 3.992 -12.034 869 HE3 LYS 111 HE3 LYS 111 -3.739 3.328 -12.229 870 HZ1 LYS 111 HZ1 LYS 111 -3.145 5.049 -13.884 871 HZ2 LYS 111 HZ2 LYS 111 -3.056 6.190 -12.631 872 HZ3 LYS 111 HZ3 LYS 111 -4.531 5.431 -12.984 873 H ARG 112 H ARG 112 -6.846 3.386 -6.067 874 HA ARG 112 HA ARG 112 -8.369 2.377 -8.345 875 HB2 ARG 112 HB2 ARG 112 -7.703 0.561 -6.041 876 HB3 ARG 112 HB3 ARG 112 -8.501 0.137 -7.546 877 HG2 ARG 112 HG2 ARG 112 -5.797 1.303 -7.776 878 HG3 ARG 112 HG3 ARG 112 -5.903 -0.308 -7.044 879 HD2 ARG 112 HD2 ARG 112 -5.672 -0.905 -9.245 880 HD3 ARG 112 HD3 ARG 112 -7.429 -0.816 -9.139 881 HE ARG 112 HE ARG 112 -6.864 1.649 -9.940 882 HH11 ARG 112 HH12 ARG 112 -5.582 -1.403 -11.089 883 HH12 ARG 112 HH11 ARG 112 -5.264 -0.810 -12.692 884 HH21 ARG 112 HH22 ARG 112 -6.444 2.427 -12.051 885 HH22 ARG 112 HH21 ARG 112 -5.770 1.355 -13.240 886 H GLY 113 H GLY 113 -9.981 4.007 -7.744 887 HA2 GLY 113 HA3 GLY 113 -11.640 3.012 -5.525 888 HA3 GLY 113 HA2 GLY 113 -11.912 4.499 -6.438 889 HA PRO 114 HA PRO 114 -14.681 2.410 -9.222 890 HB2 PRO 114 HB2 PRO 114 -13.624 2.923 -11.715 891 HB3 PRO 114 HB3 PRO 114 -14.622 4.056 -10.797 892 HG2 PRO 114 HG2 PRO 114 -11.649 3.938 -11.070 893 HG3 PRO 114 HG3 PRO 114 -12.720 5.351 -11.053 894 HD2 PRO 114 HD2 PRO 114 -11.284 4.642 -8.898 895 HD3 PRO 114 HD3 PRO 114 -12.911 5.337 -8.749 896 H ARG 115 H ARG 115 -11.318 1.598 -9.198 897 HA ARG 115 HA ARG 115 -11.780 -0.767 -10.835 898 HB2 ARG 115 HB2 ARG 115 -9.336 0.719 -9.973 899 HB3 ARG 115 HB3 ARG 115 -9.198 -0.990 -10.347 900 HG2 ARG 115 HG2 ARG 115 -8.604 0.274 -12.281 901 HG3 ARG 115 HG3 ARG 115 -10.139 -0.533 -12.591 902 HD2 ARG 115 HD2 ARG 115 -11.348 1.510 -12.232 903 HD3 ARG 115 HD3 ARG 115 -9.881 2.335 -11.703 904 HE ARG 115 HE ARG 115 -9.377 1.394 -14.260 905 HH11 ARG 115 HH12 ARG 115 -11.646 3.607 -12.779 906 HH12 ARG 115 HH11 ARG 115 -11.735 4.652 -14.164 907 HH21 ARG 115 HH22 ARG 115 -9.499 2.726 -16.080 908 HH22 ARG 115 HH21 ARG 115 -10.529 4.134 -16.064 909 H THR 116 H THR 116 -11.551 0.202 -7.508 910 HA THR 116 HA THR 116 -10.780 -2.421 -6.654 911 HB THR 116 HB THR 116 -11.548 -1.505 -4.375 912 HG1 THR 116 HG1 THR 116 -11.147 0.954 -4.647 913 HG21 THR 116 HG21 THR 116 -9.373 -0.403 -4.149 914 HG22 THR 116 HG22 THR 116 -9.226 -0.323 -5.904 915 HG23 THR 116 HG23 THR 116 -9.241 -1.889 -5.090 916 H HIS 117 H HIS 117 -11.888 -3.983 -6.812 917 HA HIS 117 HA HIS 117 -14.272 -4.927 -6.099 918 HB2 HIS 117 HB2 HIS 117 -15.087 -2.799 -7.511 919 HB3 HIS 117 HB3 HIS 117 -14.670 -3.812 -8.887 920 HD1 HIS 117 HD1 HIS 117 -17.135 -3.478 -6.094 921 HD2 HIS 117 HD2 HIS 117 -16.441 -5.917 -9.392 922 HE1 HIS 117 HE1 HIS 117 -19.225 -4.855 -6.378 923 HE2 HIS 117 HE2 HIS 117 -18.820 -6.250 -8.438 924 H TYR 118 H TYR 118 -14.656 -6.849 -8.163 925 HA TYR 118 HA TYR 118 -11.859 -7.259 -8.828 926 HB2 TYR 118 HB2 TYR 118 -13.462 -9.195 -8.309 927 HB3 TYR 118 HB3 TYR 118 -14.128 -8.931 -9.920 928 HD1 TYR 118 HD2 TYR 118 -11.042 -9.812 -8.078 929 HD2 TYR 118 HD1 TYR 118 -12.991 -9.739 -11.859 930 HE1 TYR 118 HE2 TYR 118 -9.222 -11.161 -9.033 931 HE2 TYR 118 HE1 TYR 118 -11.173 -11.086 -12.827 932 HH TYR 118 HH TYR 118 -8.838 -12.678 -10.922 933 H GLY 119 H GLY 119 -11.731 -5.299 -9.809 934 HA2 GLY 119 HA3 GLY 119 -12.372 -5.353 -12.671 935 HA3 GLY 119 HA2 GLY 119 -11.861 -3.921 -11.760 936 H GLN 120 H GLN 120 -9.935 -5.162 -10.220 937 HA GLN 120 HA GLN 120 -7.818 -5.951 -12.076 938 HB2 GLN 120 HB2 GLN 120 -8.089 -3.326 -10.695 939 HB3 GLN 120 HB3 GLN 120 -6.491 -4.069 -10.662 940 HG2 GLN 120 HG2 GLN 120 -8.032 -3.632 -13.200 941 HG3 GLN 120 HG3 GLN 120 -6.934 -2.432 -12.518 942 HE21 GLN 120 HE21 GLN 120 -7.201 -5.490 -14.125 943 HE22 GLN 120 HE22 GLN 120 -5.517 -5.674 -14.473 944 H LYS 121 H LYS 121 -6.334 -7.293 -11.104 945 HA LYS 121 HA LYS 121 -6.685 -7.888 -8.289 946 HB2 LYS 121 HB2 LYS 121 -4.994 -9.648 -8.652 947 HB3 LYS 121 HB3 LYS 121 -6.361 -9.757 -9.743 948 HG2 LYS 121 HG2 LYS 121 -5.081 -8.919 -11.563 949 HG3 LYS 121 HG3 LYS 121 -3.729 -8.527 -10.496 950 HD2 LYS 121 HD2 LYS 121 -3.202 -10.786 -10.150 951 HD3 LYS 121 HD3 LYS 121 -4.770 -11.332 -10.748 952 HE2 LYS 121 HE2 LYS 121 -2.656 -9.997 -12.432 953 HE3 LYS 121 HE3 LYS 121 -2.904 -11.741 -12.331 954 HZ1 LYS 121 HZ1 LYS 121 -4.877 -9.749 -13.313 955 HZ2 LYS 121 HZ2 LYS 121 -5.170 -11.411 -13.152 956 HZ3 LYS 121 HZ3 LYS 121 -4.012 -10.857 -14.262 957 H ALA 122 H ALA 122 -5.662 -5.353 -9.280 958 HA ALA 122 HA ALA 122 -3.042 -5.089 -8.104 959 HB1 ALA 122 HB1 ALA 122 -3.412 -2.681 -8.418 960 HB2 ALA 122 HB2 ALA 122 -3.757 -3.582 -9.894 961 HB3 ALA 122 HB3 ALA 122 -5.082 -3.001 -8.886 962 H ILE 123 H ILE 123 -6.048 -5.676 -6.990 963 HA ILE 123 HA ILE 123 -5.793 -4.300 -4.441 964 HB ILE 123 HB ILE 123 -7.841 -6.345 -5.334 965 HG12 ILE 123 HG12 ILE 123 -8.030 -3.329 -5.405 966 HG13 ILE 123 HG13 ILE 123 -7.740 -4.351 -6.811 967 HG21 ILE 123 HG21 ILE 123 -7.746 -6.037 -2.904 968 HG22 ILE 123 HG22 ILE 123 -7.919 -4.295 -3.112 969 HG23 ILE 123 HG23 ILE 123 -9.240 -5.371 -3.565 970 HD11 ILE 123 HD11 ILE 123 -10.183 -4.398 -5.065 971 HD12 ILE 123 HD12 ILE 123 -10.057 -3.679 -6.670 972 HD13 ILE 123 HD13 ILE 123 -9.897 -5.424 -6.472 973 H LEU 124 H LEU 124 -4.368 -6.882 -5.826 974 HA LEU 124 HA LEU 124 -4.325 -8.539 -3.420 975 HB2 LEU 124 HB2 LEU 124 -3.429 -8.957 -6.249 976 HB3 LEU 124 HB3 LEU 124 -2.732 -9.929 -4.967 977 HG LEU 124 HG LEU 124 -5.009 -10.718 -4.367 978 HD11 LEU 124 HD11 LEU 124 -6.308 -8.837 -5.205 979 HD12 LEU 124 HD12 LEU 124 -5.851 -9.247 -6.858 980 HD13 LEU 124 HD13 LEU 124 -6.853 -10.354 -5.920 981 HD21 LEU 124 HD21 LEU 124 -3.589 -12.043 -5.825 982 HD22 LEU 124 HD22 LEU 124 -5.279 -12.194 -6.299 983 HD23 LEU 124 HD23 LEU 124 -4.191 -11.168 -7.233 984 H PHE 125 H PHE 125 -2.961 -7.948 -1.930 985 HA PHE 125 HA PHE 125 -0.711 -6.230 -2.653 986 HB2 PHE 125 HB2 PHE 125 -2.204 -6.770 -0.087 987 HB3 PHE 125 HB3 PHE 125 -0.688 -5.889 -0.103 988 HD1 PHE 125 HD2 PHE 125 -3.783 -5.768 -2.209 989 HD2 PHE 125 HD1 PHE 125 -1.017 -3.662 0.244 990 HE1 PHE 125 HE2 PHE 125 -4.997 -3.674 -2.638 991 HE2 PHE 125 HE1 PHE 125 -2.228 -1.565 -0.181 992 HZ PHE 125 HZ PHE 125 -4.220 -1.569 -1.625 993 H LEU 126 H LEU 126 1.392 -6.891 -2.547 994 HA LEU 126 HA LEU 126 1.935 -9.069 -0.632 995 HB2 LEU 126 HB2 LEU 126 3.389 -8.529 -3.228 996 HB3 LEU 126 HB3 LEU 126 3.837 -9.742 -2.047 997 HG LEU 126 HG LEU 126 1.419 -10.662 -2.499 998 HD11 LEU 126 HD11 LEU 126 0.706 -10.337 -4.812 999 HD12 LEU 126 HD12 LEU 126 0.687 -8.822 -3.911 1000 HD13 LEU 126 HD13 LEU 126 1.994 -9.155 -5.047 1001 HD21 LEU 126 HD21 LEU 126 3.478 -11.878 -2.940 1002 HD22 LEU 126 HD22 LEU 126 2.328 -12.098 -4.258 1003 HD23 LEU 126 HD23 LEU 126 3.691 -10.997 -4.452 1004 HA PRO 127 HA PRO 127 4.677 -5.848 0.830 1005 HB2 PRO 127 HB2 PRO 127 4.192 -6.341 3.442 1006 HB3 PRO 127 HB3 PRO 127 3.018 -5.521 2.408 1007 HG2 PRO 127 HG2 PRO 127 2.872 -8.185 3.593 1008 HG3 PRO 127 HG3 PRO 127 1.598 -7.249 2.796 1009 HD2 PRO 127 HD2 PRO 127 3.330 -9.360 1.694 1010 HD3 PRO 127 HD3 PRO 127 1.798 -8.716 1.062 1011 H LEU 128 H LEU 128 6.781 -6.486 0.454 1012 HA LEU 128 HA LEU 128 7.837 -8.652 2.147 1013 HB2 LEU 128 HB2 LEU 128 8.781 -7.569 -0.495 1014 HB3 LEU 128 HB3 LEU 128 9.810 -8.554 0.527 1015 HG LEU 128 HG LEU 128 7.215 -9.386 -0.767 1016 HD11 LEU 128 HD11 LEU 128 8.645 -10.989 -1.939 1017 HD12 LEU 128 HD12 LEU 128 9.126 -9.324 -2.270 1018 HD13 LEU 128 HD13 LEU 128 10.062 -10.304 -1.141 1019 HD21 LEU 128 HD21 LEU 128 7.374 -10.363 1.460 1020 HD22 LEU 128 HD22 LEU 128 7.624 -11.588 0.217 1021 HD23 LEU 128 HD23 LEU 128 9.003 -10.937 1.103 1022 HA PRO 129 HA PRO 129 9.896 -5.244 4.154 1023 HB2 PRO 129 HB2 PRO 129 10.745 -6.560 6.320 1024 HB3 PRO 129 HB3 PRO 129 9.026 -6.231 6.064 1025 HG2 PRO 129 HG2 PRO 129 10.553 -8.763 5.601 1026 HG3 PRO 129 HG3 PRO 129 8.950 -8.538 6.328 1027 HD2 PRO 129 HD2 PRO 129 9.387 -9.270 3.702 1028 HD3 PRO 129 HD3 PRO 129 7.911 -8.485 4.296 1029 H VAL 130 H VAL 130 12.115 -4.662 4.714 1030 HA VAL 130 HA VAL 130 13.820 -5.636 2.650 1031 HB VAL 130 HB VAL 130 14.899 -4.039 4.909 1032 HG11 VAL 130 HG11 VAL 130 16.441 -4.736 3.195 1033 HG12 VAL 130 HG12 VAL 130 15.412 -4.027 1.951 1034 HG13 VAL 130 HG13 VAL 130 16.214 -2.988 3.129 1035 HG21 VAL 130 HG21 VAL 130 13.170 -2.946 2.694 1036 HG22 VAL 130 HG22 VAL 130 12.762 -2.980 4.409 1037 HG23 VAL 130 HG23 VAL 130 14.094 -1.974 3.839 1038 H SER 131 H SER 131 15.289 -7.088 2.638 1039 HA SER 131 HA SER 131 15.557 -8.810 4.969 1040 HB2 SER 131 HB2 SER 131 14.908 -9.820 2.814 1041 HB3 SER 131 HB3 SER 131 16.400 -9.230 2.085 1042 HG SER 131 HG SER 131 17.088 -11.142 2.668 1043 H SER 132 H SER 132 17.663 -9.649 5.585 1044 HA SER 132 HA SER 132 19.658 -7.536 5.527 1045 HB2 SER 132 HB2 SER 132 19.753 -10.157 7.036 1046 HB3 SER 132 HB3 SER 132 20.683 -8.693 7.366 1047 HG SER 132 HG SER 132 18.492 -9.329 8.512 1048 H ASP 133 H ASP 133 20.311 -7.799 3.363 1049 HA ASP 133 HA ASP 133 22.090 -10.106 2.956 1050 HB2 ASP 133 HB2 ASP 133 20.087 -10.205 1.478 1051 HB3 ASP 133 HB3 ASP 133 20.531 -8.635 0.814 Start of MODEL 5 1 H1 TYR 1 H1 TYR 1 17.723 -7.580 7.240 2 H2 TYR 1 H2 TYR 1 16.419 -7.016 6.315 3 H3 TYR 1 H3 TYR 1 16.134 -7.935 7.702 4 HA TYR 1 HA TYR 1 16.955 -6.232 9.103 5 HB2 TYR 1 HB2 TYR 1 18.674 -5.406 7.441 6 HB3 TYR 1 HB3 TYR 1 17.370 -4.579 6.599 7 HD1 TYR 1 HD2 TYR 1 19.070 -4.773 9.909 8 HD2 TYR 1 HD1 TYR 1 16.753 -2.413 7.231 9 HE1 TYR 1 HE2 TYR 1 19.369 -2.824 11.376 10 HE2 TYR 1 HE1 TYR 1 17.044 -0.459 8.694 11 HH TYR 1 HH TYR 1 19.340 -0.303 11.111 12 H LYS 2 H LYS 2 14.604 -6.998 9.082 13 HA LYS 2 HA LYS 2 12.870 -5.492 7.319 14 HB2 LYS 2 HB2 LYS 2 12.183 -7.609 9.365 15 HB3 LYS 2 HB3 LYS 2 11.127 -7.004 8.094 16 HG2 LYS 2 HG2 LYS 2 12.582 -7.923 6.398 17 HG3 LYS 2 HG3 LYS 2 13.724 -8.454 7.630 18 HD2 LYS 2 HD2 LYS 2 10.872 -9.414 7.432 19 HD3 LYS 2 HD3 LYS 2 12.250 -10.257 6.726 20 HE2 LYS 2 HE2 LYS 2 11.982 -11.360 8.734 21 HE3 LYS 2 HE3 LYS 2 13.214 -10.167 9.132 22 HZ1 LYS 2 HZ1 LYS 2 10.309 -9.950 9.722 23 HZ2 LYS 2 HZ2 LYS 2 11.459 -8.763 10.077 24 HZ3 LYS 2 HZ3 LYS 2 11.540 -10.270 10.846 25 H LYS 3 H LYS 3 11.615 -3.901 7.837 26 HA LYS 3 HA LYS 3 10.417 -3.541 10.373 27 HB2 LYS 3 HB2 LYS 3 12.583 -2.495 10.900 28 HB3 LYS 3 HB3 LYS 3 12.444 -1.469 9.481 29 HG2 LYS 3 HG2 LYS 3 10.458 -0.403 10.477 30 HG3 LYS 3 HG3 LYS 3 10.680 -1.395 11.921 31 HD2 LYS 3 HD2 LYS 3 11.650 0.785 12.300 32 HD3 LYS 3 HD3 LYS 3 12.940 -0.414 12.197 33 HE2 LYS 3 HE2 LYS 3 13.212 0.225 9.784 34 HE3 LYS 3 HE3 LYS 3 12.082 1.547 10.072 35 HZ1 LYS 3 HZ1 LYS 3 14.332 2.342 10.255 36 HZ2 LYS 3 HZ2 LYS 3 14.709 1.148 11.397 37 HZ3 LYS 3 HZ3 LYS 3 13.614 2.379 11.794 38 HA PRO 4 HA PRO 4 8.515 -0.962 6.947 39 HB2 PRO 4 HB2 PRO 4 10.191 -0.124 4.878 40 HB3 PRO 4 HB3 PRO 4 9.695 0.851 6.261 41 HG2 PRO 4 HG2 PRO 4 12.306 -0.061 5.672 42 HG3 PRO 4 HG3 PRO 4 11.764 0.740 7.155 43 HD2 PRO 4 HD2 PRO 4 12.189 -2.151 6.612 44 HD3 PRO 4 HD3 PRO 4 12.346 -1.246 8.132 45 H LYS 5 H LYS 5 7.356 -1.878 5.388 46 HA LYS 5 HA LYS 5 8.521 -4.094 3.858 47 HB2 LYS 5 HB2 LYS 5 5.610 -3.328 4.202 48 HB3 LYS 5 HB3 LYS 5 6.218 -4.785 3.430 49 HG2 LYS 5 HG2 LYS 5 7.127 -5.537 5.577 50 HG3 LYS 5 HG3 LYS 5 6.494 -4.079 6.346 51 HD2 LYS 5 HD2 LYS 5 4.212 -4.761 5.602 52 HD3 LYS 5 HD3 LYS 5 4.905 -6.274 5.017 53 HE2 LYS 5 HE2 LYS 5 5.677 -6.782 7.293 54 HE3 LYS 5 HE3 LYS 5 4.950 -5.282 7.866 55 HZ1 LYS 5 HZ1 LYS 5 2.781 -6.171 7.026 56 HZ2 LYS 5 HZ2 LYS 5 3.440 -7.023 8.335 57 HZ3 LYS 5 HZ3 LYS 5 3.556 -7.659 6.769 58 H LEU 6 H LEU 6 7.997 -4.225 1.577 59 HA LEU 6 HA LEU 6 7.550 -1.593 0.399 60 HB2 LEU 6 HB2 LEU 6 8.490 -2.481 -1.683 61 HB3 LEU 6 HB3 LEU 6 9.620 -2.494 -0.353 62 HG LEU 6 HG LEU 6 9.229 -4.957 -0.124 63 HD11 LEU 6 HD11 LEU 6 7.786 -4.641 -2.761 64 HD12 LEU 6 HD12 LEU 6 8.211 -6.162 -1.976 65 HD13 LEU 6 HD13 LEU 6 7.029 -5.088 -1.230 66 HD21 LEU 6 HD21 LEU 6 10.142 -4.022 -2.824 67 HD22 LEU 6 HD22 LEU 6 11.115 -3.947 -1.352 68 HD23 LEU 6 HD23 LEU 6 10.616 -5.510 -2.006 69 H LEU 7 H LEU 7 6.233 -1.396 -1.426 70 HA LEU 7 HA LEU 7 3.841 -3.036 -1.150 71 HB2 LEU 7 HB2 LEU 7 3.849 -0.519 -1.081 72 HB3 LEU 7 HB3 LEU 7 4.313 -0.534 -2.766 73 HG LEU 7 HG LEU 7 1.949 -0.048 -2.397 74 HD11 LEU 7 HD11 LEU 7 2.537 -2.524 -3.958 75 HD12 LEU 7 HD12 LEU 7 0.997 -1.664 -4.013 76 HD13 LEU 7 HD13 LEU 7 2.474 -0.855 -4.534 77 HD21 LEU 7 HD21 LEU 7 1.811 -2.868 -1.369 78 HD22 LEU 7 HD22 LEU 7 1.523 -1.395 -0.443 79 HD23 LEU 7 HD23 LEU 7 0.415 -1.855 -1.734 80 H TYR 8 H TYR 8 4.641 -4.918 -2.262 81 HA TYR 8 HA TYR 8 4.623 -4.536 -5.194 82 HB2 TYR 8 HB2 TYR 8 6.522 -5.667 -4.039 83 HB3 TYR 8 HB3 TYR 8 5.412 -6.857 -3.404 84 HD1 TYR 8 HD1 TYR 8 4.478 -8.597 -4.918 85 HD2 TYR 8 HD2 TYR 8 7.425 -5.822 -6.211 86 HE1 TYR 8 HE1 TYR 8 5.061 -10.090 -6.785 87 HE2 TYR 8 HE2 TYR 8 8.005 -7.295 -8.084 88 HH TYR 8 HH TYR 8 6.108 -10.008 -8.956 89 H CYS 9 H CYS 9 2.091 -4.313 -5.224 90 HA CYS 9 HA CYS 9 1.125 -7.108 -5.393 91 HB2 CYS 9 HB2 CYS 9 -1.145 -6.218 -4.965 92 HB3 CYS 9 HB3 CYS 9 -0.035 -6.002 -3.618 93 HG CYS 9 HG CYS 9 -1.819 -3.774 -5.184 94 H SER 10 H SER 10 2.041 -6.766 -7.614 95 HA SER 10 HA SER 10 -0.368 -6.953 -9.174 96 HB2 SER 10 HB2 SER 10 0.873 -4.880 -9.988 97 HB3 SER 10 HB3 SER 10 2.229 -5.931 -10.389 98 HG SER 10 HG SER 10 1.035 -6.892 -11.961 99 H ASN 11 H ASN 11 -0.119 -9.080 -10.527 100 HA ASN 11 HA ASN 11 2.353 -10.423 -9.779 101 HB2 ASN 11 HB2 ASN 11 0.187 -11.648 -10.382 102 HB3 ASN 11 HB3 ASN 11 0.491 -11.186 -12.052 103 HD21 ASN 11 HD21 ASN 11 2.995 -12.049 -9.757 104 HD22 ASN 11 HD22 ASN 11 3.451 -13.528 -10.526 105 H GLY 12 H GLY 12 3.957 -9.109 -10.386 106 HA2 GLY 12 HA3 GLY 12 4.670 -8.916 -13.170 107 HA3 GLY 12 HA2 GLY 12 4.263 -7.364 -12.446 108 H GLY 13 H GLY 13 6.050 -6.298 -12.044 109 HA2 GLY 13 HA3 GLY 13 7.325 -7.047 -9.623 110 HA3 GLY 13 HA2 GLY 13 8.459 -7.135 -10.964 111 H HIS 14 H HIS 14 6.214 -4.982 -9.303 112 HA HIS 14 HA HIS 14 8.101 -2.785 -9.677 113 HB2 HIS 14 HB2 HIS 14 5.195 -2.772 -10.320 114 HB3 HIS 14 HB3 HIS 14 5.834 -1.349 -9.507 115 HD1 HIS 14 HD1 HIS 14 5.034 -0.301 -11.929 116 HD2 HIS 14 HD2 HIS 14 8.479 -2.616 -11.866 117 HE1 HIS 14 HE1 HIS 14 6.238 0.228 -14.068 118 HE2 HIS 14 HE2 HIS 14 8.220 -1.332 -14.099 119 H PHE 15 H PHE 15 7.716 -1.052 -7.944 120 HA PHE 15 HA PHE 15 6.632 -2.131 -5.469 121 HB2 PHE 15 HB2 PHE 15 9.462 -1.067 -5.669 122 HB3 PHE 15 HB3 PHE 15 8.692 -1.774 -4.256 123 HD1 PHE 15 HD1 PHE 15 10.200 -2.484 -7.525 124 HD2 PHE 15 HD2 PHE 15 8.583 -4.150 -3.967 125 HE1 PHE 15 HE1 PHE 15 11.157 -4.667 -8.124 126 HE2 PHE 15 HE2 PHE 15 9.528 -6.342 -4.564 127 HZ PHE 15 HZ PHE 15 10.818 -6.603 -6.643 128 H LEU 16 H LEU 16 5.934 -0.413 -4.115 129 HA LEU 16 HA LEU 16 5.524 2.055 -5.442 130 HB2 LEU 16 HB2 LEU 16 4.475 0.637 -3.209 131 HB3 LEU 16 HB3 LEU 16 4.887 2.261 -2.695 132 HG LEU 16 HG LEU 16 3.493 3.176 -4.475 133 HD11 LEU 16 HD11 LEU 16 2.028 1.669 -5.735 134 HD12 LEU 16 HD12 LEU 16 3.732 1.383 -6.085 135 HD13 LEU 16 HD13 LEU 16 2.854 0.283 -5.021 136 HD21 LEU 16 HD21 LEU 16 2.141 1.154 -2.692 137 HD22 LEU 16 HD22 LEU 16 2.578 2.806 -2.255 138 HD23 LEU 16 HD23 LEU 16 1.350 2.516 -3.485 139 H ARG 17 H ARG 17 6.588 3.786 -5.372 140 HA ARG 17 HA ARG 17 8.735 4.170 -3.372 141 HB2 ARG 17 HB2 ARG 17 9.642 3.173 -5.397 142 HB3 ARG 17 HB3 ARG 17 8.819 4.356 -6.391 143 HG2 ARG 17 HG2 ARG 17 10.300 6.050 -5.804 144 HG3 ARG 17 HG3 ARG 17 10.894 5.164 -4.393 145 HD2 ARG 17 HD2 ARG 17 12.185 3.743 -5.656 146 HD3 ARG 17 HD3 ARG 17 11.186 3.941 -7.102 147 HE ARG 17 HE ARG 17 12.228 6.171 -7.334 148 HH11 ARG 17 HH12 ARG 17 13.848 3.780 -5.332 149 HH12 ARG 17 HH11 ARG 17 15.410 4.545 -5.487 150 HH21 ARG 17 HH22 ARG 17 14.301 7.149 -7.538 151 HH22 ARG 17 HH21 ARG 17 15.663 6.426 -6.740 152 H ILE 18 H ILE 18 9.149 6.445 -2.928 153 HA ILE 18 HA ILE 18 6.838 8.059 -3.657 154 HB ILE 18 HB ILE 18 7.572 9.624 -1.954 155 HG12 ILE 18 HG12 ILE 18 9.719 7.664 -1.169 156 HG13 ILE 18 HG13 ILE 18 10.045 9.021 -2.242 157 HG21 ILE 18 HG21 ILE 18 6.054 7.871 -1.317 158 HG22 ILE 18 HG22 ILE 18 7.399 6.765 -1.040 159 HG23 ILE 18 HG23 ILE 18 7.183 8.167 0.005 160 HD11 ILE 18 HD11 ILE 18 10.655 9.523 0.057 161 HD12 ILE 18 HD12 ILE 18 9.355 10.574 -0.503 162 HD13 ILE 18 HD13 ILE 18 8.995 9.222 0.570 163 H LEU 19 H LEU 19 6.885 9.869 -4.732 164 HA LEU 19 HA LEU 19 9.466 10.909 -5.688 165 HB2 LEU 19 HB2 LEU 19 6.698 11.124 -6.899 166 HB3 LEU 19 HB3 LEU 19 8.092 11.999 -7.491 167 HG LEU 19 HG LEU 19 7.789 10.178 -8.951 168 HD11 LEU 19 HD11 LEU 19 9.814 8.851 -8.662 169 HD12 LEU 19 HD12 LEU 19 10.103 10.562 -8.348 170 HD13 LEU 19 HD13 LEU 19 9.957 9.430 -7.002 171 HD21 LEU 19 HD21 LEU 19 7.603 7.855 -8.228 172 HD22 LEU 19 HD22 LEU 19 7.642 8.375 -6.543 173 HD23 LEU 19 HD23 LEU 19 6.294 8.841 -7.578 174 HA PRO 20 HA PRO 20 8.490 14.614 -3.428 175 HB2 PRO 20 HB2 PRO 20 9.680 16.259 -5.524 176 HB3 PRO 20 HB3 PRO 20 10.283 15.936 -3.896 177 HG2 PRO 20 HG2 PRO 20 11.500 14.965 -6.104 178 HG3 PRO 20 HG3 PRO 20 11.473 14.074 -4.570 179 HD2 PRO 20 HD2 PRO 20 9.765 13.699 -7.008 180 HD3 PRO 20 HD3 PRO 20 10.547 12.475 -5.982 181 H ASP 21 H ASP 21 7.160 13.819 -6.288 182 HA ASP 21 HA ASP 21 5.633 16.212 -6.816 183 HB2 ASP 21 HB2 ASP 21 5.273 13.387 -7.853 184 HB3 ASP 21 HB3 ASP 21 4.476 14.825 -8.484 185 H GLY 22 H GLY 22 5.464 13.519 -4.751 186 HA2 GLY 22 HA3 GLY 22 3.932 13.324 -2.965 187 HA3 GLY 22 HA2 GLY 22 2.789 14.304 -3.872 188 H THR 23 H THR 23 4.515 11.486 -5.118 189 HA THR 23 HA THR 23 1.947 10.110 -5.413 190 HB THR 23 HB THR 23 4.306 9.292 -6.969 191 HG1 THR 23 HG1 THR 23 2.980 11.414 -8.175 192 HG21 THR 23 HG21 THR 23 2.122 8.249 -7.264 193 HG22 THR 23 HG22 THR 23 2.622 9.071 -8.744 194 HG23 THR 23 HG23 THR 23 1.420 9.810 -7.685 195 H VAL 24 H VAL 24 1.847 7.952 -4.674 196 HA VAL 24 HA VAL 24 4.505 6.717 -4.387 197 HB VAL 24 HB VAL 24 3.219 6.985 -2.204 198 HG11 VAL 24 HG11 VAL 24 1.017 6.426 -2.885 199 HG12 VAL 24 HG12 VAL 24 1.551 4.852 -3.479 200 HG13 VAL 24 HG13 VAL 24 1.561 5.191 -1.746 201 HG21 VAL 24 HG21 VAL 24 3.885 4.760 -1.395 202 HG22 VAL 24 HG22 VAL 24 4.112 4.241 -3.066 203 HG23 VAL 24 HG23 VAL 24 5.123 5.521 -2.395 204 H ASP 25 H ASP 25 4.794 5.621 -6.139 205 HA ASP 25 HA ASP 25 2.661 3.889 -7.144 206 HB2 ASP 25 HB2 ASP 25 3.108 4.497 -9.459 207 HB3 ASP 25 HB3 ASP 25 2.682 5.938 -8.547 208 H GLY 26 H GLY 26 3.436 2.223 -8.728 209 HA2 GLY 26 HA3 GLY 26 5.862 1.196 -7.472 210 HA3 GLY 26 HA2 GLY 26 4.799 0.298 -8.518 211 H THR 27 H THR 27 7.612 0.828 -8.237 212 HA THR 27 HA THR 27 8.387 0.919 -11.018 213 HB THR 27 HB THR 27 9.439 2.724 -8.843 214 HG1 THR 27 HG1 THR 27 7.790 3.394 -10.467 215 HG21 THR 27 HG21 THR 27 11.350 1.526 -9.791 216 HG22 THR 27 HG22 THR 27 11.375 3.239 -10.223 217 HG23 THR 27 HG23 THR 27 10.866 2.039 -11.411 218 H ARG 28 H ARG 28 10.297 -0.522 -11.317 219 HA ARG 28 HA ARG 28 10.474 -2.113 -8.892 220 HB2 ARG 28 HB2 ARG 28 12.129 -3.516 -10.259 221 HB3 ARG 28 HB3 ARG 28 10.453 -3.522 -10.778 222 HG2 ARG 28 HG2 ARG 28 11.006 -1.920 -12.544 223 HG3 ARG 28 HG3 ARG 28 12.694 -1.948 -12.023 224 HD2 ARG 28 HD2 ARG 28 12.973 -4.182 -12.668 225 HD3 ARG 28 HD3 ARG 28 11.235 -4.464 -12.761 226 HE ARG 28 HE ARG 28 12.052 -2.476 -14.618 227 HH11 ARG 28 HH12 ARG 28 12.126 -5.940 -14.089 228 HH12 ARG 28 HH11 ARG 28 12.048 -6.319 -15.779 229 HH21 ARG 28 HH22 ARG 28 11.951 -2.975 -16.835 230 HH22 ARG 28 HH21 ARG 28 11.948 -4.641 -17.341 231 H ASP 29 H ASP 29 11.630 -1.560 -7.460 232 HA ASP 29 HA ASP 29 13.984 0.068 -7.793 233 HB2 ASP 29 HB2 ASP 29 11.882 1.020 -6.659 234 HB3 ASP 29 HB3 ASP 29 12.252 -0.071 -5.328 235 H ARG 30 H ARG 30 15.226 -0.080 -5.694 236 HA ARG 30 HA ARG 30 16.587 -2.564 -6.159 237 HB2 ARG 30 HB2 ARG 30 17.620 -0.396 -6.324 238 HB3 ARG 30 HB3 ARG 30 17.030 0.023 -4.713 239 HG2 ARG 30 HG2 ARG 30 18.580 -1.811 -3.852 240 HG3 ARG 30 HG3 ARG 30 19.266 -1.870 -5.477 241 HD2 ARG 30 HD2 ARG 30 19.743 0.566 -5.285 242 HD3 ARG 30 HD3 ARG 30 19.209 0.492 -3.607 243 HE ARG 30 HE ARG 30 21.669 -0.620 -4.726 244 HH11 ARG 30 HH12 ARG 30 19.571 -0.258 -1.938 245 HH12 ARG 30 HH11 ARG 30 20.797 -0.707 -0.792 246 HH21 ARG 30 HH22 ARG 30 23.297 -1.170 -3.206 247 HH22 ARG 30 HH21 ARG 30 22.908 -1.214 -1.511 248 H SER 31 H SER 31 14.122 -2.314 -4.185 249 HA SER 31 HA SER 31 13.558 -2.443 -1.971 250 HB2 SER 31 HB2 SER 31 14.564 -4.723 -2.185 251 HB3 SER 31 HB3 SER 31 16.138 -4.051 -1.766 252 HG SER 31 HG SER 31 15.129 -3.369 0.244 253 H ASP 32 H ASP 32 14.551 -0.198 -2.774 254 HA ASP 32 HA ASP 32 17.080 0.562 -1.697 255 HB2 ASP 32 HB2 ASP 32 16.290 1.119 -4.008 256 HB3 ASP 32 HB3 ASP 32 15.014 2.097 -3.303 257 H GLN 33 H GLN 33 16.766 3.112 -1.122 258 HA GLN 33 HA GLN 33 15.394 2.888 1.426 259 HB2 GLN 33 HB2 GLN 33 16.973 4.560 2.156 260 HB3 GLN 33 HB3 GLN 33 17.784 3.242 1.304 261 HG2 GLN 33 HG2 GLN 33 17.787 4.698 -0.739 262 HG3 GLN 33 HG3 GLN 33 17.258 6.022 0.299 263 HE21 GLN 33 HE21 GLN 33 19.124 7.207 -0.065 264 HE22 GLN 33 HE22 GLN 33 20.645 6.757 0.633 265 H HIS 34 H HIS 34 14.169 3.539 -1.205 266 HA HIS 34 HA HIS 34 12.629 5.803 -0.174 267 HB2 HIS 34 HB2 HIS 34 13.174 5.115 -3.078 268 HB3 HIS 34 HB3 HIS 34 12.067 6.366 -2.529 269 HD1 HIS 34 HD1 HIS 34 15.729 5.597 -2.879 270 HD2 HIS 34 HD2 HIS 34 13.267 8.742 -1.692 271 HE1 HIS 34 HE1 HIS 34 17.215 7.623 -2.756 272 HE2 HIS 34 HE2 HIS 34 15.739 9.478 -1.890 273 H ILE 35 H ILE 35 12.798 2.532 -0.958 274 HA ILE 35 HA ILE 35 10.058 2.256 -1.865 275 HB ILE 35 HB ILE 35 12.269 0.936 -2.520 276 HG12 ILE 35 HG12 ILE 35 10.811 -0.870 -3.362 277 HG13 ILE 35 HG13 ILE 35 9.510 -0.262 -2.337 278 HG21 ILE 35 HG21 ILE 35 11.109 -0.764 -0.319 279 HG22 ILE 35 HG22 ILE 35 12.307 -1.299 -1.498 280 HG23 ILE 35 HG23 ILE 35 12.709 -0.024 -0.350 281 HD11 ILE 35 HD11 ILE 35 9.246 0.532 -4.601 282 HD12 ILE 35 HD12 ILE 35 9.597 1.877 -3.512 283 HD13 ILE 35 HD13 ILE 35 10.863 1.238 -4.561 284 H GLN 36 H GLN 36 10.889 3.016 1.066 285 HA GLN 36 HA GLN 36 10.044 0.559 2.440 286 HB2 GLN 36 HB2 GLN 36 11.226 1.610 4.406 287 HB3 GLN 36 HB3 GLN 36 12.239 1.150 3.042 288 HG2 GLN 36 HG2 GLN 36 12.190 3.487 2.262 289 HG3 GLN 36 HG3 GLN 36 11.263 3.925 3.703 290 HE21 GLN 36 HE21 GLN 36 14.313 2.787 2.480 291 HE22 GLN 36 HE22 GLN 36 15.255 3.196 3.879 292 H LEU 37 H LEU 37 7.864 0.734 2.681 293 HA LEU 37 HA LEU 37 7.011 2.884 4.491 294 HB2 LEU 37 HB2 LEU 37 4.653 2.110 3.845 295 HB3 LEU 37 HB3 LEU 37 5.550 3.124 2.744 296 HG LEU 37 HG LEU 37 5.545 0.138 2.393 297 HD11 LEU 37 HD11 LEU 37 3.456 2.061 1.372 298 HD12 LEU 37 HD12 LEU 37 3.615 0.368 0.900 299 HD13 LEU 37 HD13 LEU 37 3.202 0.785 2.564 300 HD21 LEU 37 HD21 LEU 37 7.118 1.458 1.058 301 HD22 LEU 37 HD22 LEU 37 5.873 0.728 0.043 302 HD23 LEU 37 HD23 LEU 37 5.781 2.442 0.455 303 H GLN 38 H GLN 38 5.956 2.357 6.344 304 HA GLN 38 HA GLN 38 6.673 -0.333 7.250 305 HB2 GLN 38 HB2 GLN 38 7.367 1.946 8.354 306 HB3 GLN 38 HB3 GLN 38 5.745 1.899 9.031 307 HG2 GLN 38 HG2 GLN 38 7.874 -0.190 9.428 308 HG3 GLN 38 HG3 GLN 38 7.415 1.055 10.586 309 HE21 GLN 38 HE21 GLN 38 6.695 -2.019 9.266 310 HE22 GLN 38 HE22 GLN 38 5.336 -2.384 10.277 311 H LEU 39 H LEU 39 5.075 -1.755 7.014 312 HA LEU 39 HA LEU 39 2.301 -0.814 7.263 313 HB2 LEU 39 HB2 LEU 39 3.609 -2.261 5.221 314 HB3 LEU 39 HB3 LEU 39 2.533 -3.396 6.016 315 HG LEU 39 HG LEU 39 1.756 -0.786 4.722 316 HD11 LEU 39 HD11 LEU 39 1.117 -3.645 4.032 317 HD12 LEU 39 HD12 LEU 39 0.473 -2.220 3.216 318 HD13 LEU 39 HD13 LEU 39 2.200 -2.572 3.145 319 HD21 LEU 39 HD21 LEU 39 -0.552 -1.407 5.273 320 HD22 LEU 39 HD22 LEU 39 0.049 -2.771 6.217 321 HD23 LEU 39 HD23 LEU 39 0.421 -1.119 6.716 322 H SER 40 H SER 40 1.869 -1.180 9.394 323 HA SER 40 HA SER 40 2.235 -3.942 10.350 324 HB2 SER 40 HB2 SER 40 1.986 -1.379 11.934 325 HB3 SER 40 HB3 SER 40 2.086 -2.992 12.638 326 HG SER 40 HG SER 40 4.061 -1.413 11.503 327 H ALA 41 H ALA 41 0.536 -4.768 11.773 328 HA ALA 41 HA ALA 41 -2.096 -3.535 11.270 329 HB1 ALA 41 HB1 ALA 41 -3.053 -5.771 11.704 330 HB2 ALA 41 HB2 ALA 41 -1.940 -5.790 10.335 331 HB3 ALA 41 HB3 ALA 41 -1.423 -6.416 11.900 332 H GLU 42 H GLU 42 -2.452 -2.266 12.989 333 HA GLU 42 HA GLU 42 -1.292 -3.101 15.544 334 HB2 GLU 42 HB2 GLU 42 -1.997 -0.340 14.539 335 HB3 GLU 42 HB3 GLU 42 -1.319 -0.688 16.127 336 HG2 GLU 42 HG2 GLU 42 0.643 -1.727 15.005 337 HG3 GLU 42 HG3 GLU 42 -0.021 -1.214 13.458 338 H SER 43 H SER 43 -4.340 -2.216 14.066 339 HA SER 43 HA SER 43 -5.621 -2.895 16.627 340 HB2 SER 43 HB2 SER 43 -6.972 -1.718 14.195 341 HB3 SER 43 HB3 SER 43 -7.620 -1.850 15.827 342 HG SER 43 HG SER 43 -6.351 0.192 14.795 343 H VAL 44 H VAL 44 -7.560 -4.332 16.396 344 HA VAL 44 HA VAL 44 -6.879 -6.664 14.985 345 HB VAL 44 HB VAL 44 -8.315 -6.793 16.938 346 HG11 VAL 44 HG11 VAL 44 -10.633 -6.033 16.915 347 HG12 VAL 44 HG12 VAL 44 -9.525 -4.684 16.673 348 HG13 VAL 44 HG13 VAL 44 -10.408 -5.357 15.302 349 HG21 VAL 44 HG21 VAL 44 -9.757 -7.690 14.447 350 HG22 VAL 44 HG22 VAL 44 -8.489 -8.574 15.297 351 HG23 VAL 44 HG23 VAL 44 -10.044 -8.295 16.081 352 H GLY 45 H GLY 45 -6.827 -6.864 12.857 353 HA2 GLY 45 HA3 GLY 45 -7.766 -7.175 10.765 354 HA3 GLY 45 HA2 GLY 45 -9.262 -6.474 11.366 355 H GLU 46 H GLU 46 -6.980 -4.318 12.252 356 HA GLU 46 HA GLU 46 -7.294 -2.837 9.779 357 HB2 GLU 46 HB2 GLU 46 -8.412 -1.500 11.182 358 HB3 GLU 46 HB3 GLU 46 -7.588 -2.118 12.603 359 HG2 GLU 46 HG2 GLU 46 -5.741 -0.729 12.230 360 HG3 GLU 46 HG3 GLU 46 -6.326 -0.242 10.637 361 H VAL 47 H VAL 47 -5.652 -1.790 8.880 362 HA VAL 47 HA VAL 47 -2.988 -2.395 9.963 363 HB VAL 47 HB VAL 47 -2.124 -2.460 7.657 364 HG11 VAL 47 HG11 VAL 47 -2.610 -4.524 8.867 365 HG12 VAL 47 HG12 VAL 47 -4.267 -4.499 8.262 366 HG13 VAL 47 HG13 VAL 47 -2.922 -4.716 7.141 367 HG21 VAL 47 HG21 VAL 47 -3.879 -1.199 6.537 368 HG22 VAL 47 HG22 VAL 47 -3.695 -2.789 5.792 369 HG23 VAL 47 HG23 VAL 47 -5.043 -2.477 6.886 370 H TYR 48 H TYR 48 -1.420 -0.865 9.758 371 HA TYR 48 HA TYR 48 -2.431 1.785 8.965 372 HB2 TYR 48 HB2 TYR 48 -2.163 1.635 11.400 373 HB3 TYR 48 HB3 TYR 48 -0.500 1.102 11.200 374 HD1 TYR 48 HD1 TYR 48 -2.143 3.796 9.287 375 HD2 TYR 48 HD2 TYR 48 0.607 2.853 12.386 376 HE1 TYR 48 HE1 TYR 48 -1.412 6.140 9.340 377 HE2 TYR 48 HE2 TYR 48 1.351 5.197 12.449 378 HH TYR 48 HH TYR 48 1.394 7.156 10.901 379 H ILE 49 H ILE 49 -1.442 2.606 7.357 380 HA ILE 49 HA ILE 49 1.151 1.581 6.497 381 HB ILE 49 HB ILE 49 -0.860 3.378 5.101 382 HG12 ILE 49 HG12 ILE 49 -0.058 0.497 4.625 383 HG13 ILE 49 HG13 ILE 49 -1.599 1.062 5.259 384 HG21 ILE 49 HG21 ILE 49 1.758 2.269 4.074 385 HG22 ILE 49 HG22 ILE 49 0.565 3.140 3.111 386 HG23 ILE 49 HG23 ILE 49 1.405 3.962 4.425 387 HD11 ILE 49 HD11 ILE 49 -0.528 1.583 2.496 388 HD12 ILE 49 HD12 ILE 49 -1.792 0.430 2.929 389 HD13 ILE 49 HD13 ILE 49 -2.069 2.161 3.130 390 H LYS 50 H LYS 50 2.838 2.651 7.261 391 HA LYS 50 HA LYS 50 2.607 5.575 7.428 392 HB2 LYS 50 HB2 LYS 50 4.038 5.581 9.403 393 HB3 LYS 50 HB3 LYS 50 2.595 4.621 9.692 394 HG2 LYS 50 HG2 LYS 50 4.594 2.887 8.702 395 HG3 LYS 50 HG3 LYS 50 5.320 3.884 9.962 396 HD2 LYS 50 HD2 LYS 50 2.716 2.408 10.313 397 HD3 LYS 50 HD3 LYS 50 4.285 1.719 10.732 398 HE2 LYS 50 HE2 LYS 50 4.648 3.698 12.223 399 HE3 LYS 50 HE3 LYS 50 2.975 4.160 11.914 400 HZ1 LYS 50 HZ1 LYS 50 3.158 2.913 13.967 401 HZ2 LYS 50 HZ2 LYS 50 3.885 1.622 13.157 402 HZ3 LYS 50 HZ3 LYS 50 2.268 2.019 12.834 403 H SER 51 H SER 51 4.424 6.762 6.727 404 HA SER 51 HA SER 51 6.439 5.429 5.250 405 HB2 SER 51 HB2 SER 51 7.334 7.711 5.035 406 HB3 SER 51 HB3 SER 51 5.588 7.726 4.777 407 HG SER 51 HG SER 51 6.609 9.365 6.256 408 H THR 52 H THR 52 8.365 4.754 5.935 409 HA THR 52 HA THR 52 9.135 5.157 8.660 410 HB THR 52 HB THR 52 10.799 4.200 6.301 411 HG1 THR 52 HG1 THR 52 9.275 2.762 8.244 412 HG21 THR 52 HG21 THR 52 11.200 3.844 9.272 413 HG22 THR 52 HG22 THR 52 12.138 4.911 8.229 414 HG23 THR 52 HG23 THR 52 12.216 3.164 8.000 415 H GLU 53 H GLU 53 11.601 5.807 6.345 416 HA GLU 53 HA GLU 53 11.326 8.641 7.011 417 HB2 GLU 53 HB2 GLU 53 13.611 7.195 5.664 418 HB3 GLU 53 HB3 GLU 53 13.573 8.926 6.002 419 HG2 GLU 53 HG2 GLU 53 13.178 8.285 8.428 420 HG3 GLU 53 HG3 GLU 53 13.625 6.649 7.956 421 H THR 54 H THR 54 11.487 6.488 4.237 422 HA THR 54 HA THR 54 10.568 8.669 2.504 423 HB THR 54 HB THR 54 11.465 7.076 0.673 424 HG1 THR 54 HG1 THR 54 13.444 6.057 1.889 425 HG21 THR 54 HG21 THR 54 12.433 9.261 1.215 426 HG22 THR 54 HG22 THR 54 13.696 8.072 0.892 427 HG23 THR 54 HG23 THR 54 13.327 8.537 2.553 428 H GLY 55 H GLY 55 8.613 6.752 4.000 429 HA2 GLY 55 HA3 GLY 55 8.118 4.846 1.845 430 HA3 GLY 55 HA2 GLY 55 7.466 4.737 3.460 431 H GLN 56 H GLN 56 6.224 7.445 3.387 432 HA GLN 56 HA GLN 56 5.483 8.582 1.129 433 HB2 GLN 56 HB2 GLN 56 3.353 7.841 0.329 434 HB3 GLN 56 HB3 GLN 56 4.473 6.492 0.298 435 HG2 GLN 56 HG2 GLN 56 3.385 5.369 1.986 436 HG3 GLN 56 HG3 GLN 56 2.647 6.839 2.627 437 HE21 GLN 56 HE21 GLN 56 1.811 7.822 0.072 438 HE22 GLN 56 HE22 GLN 56 0.471 6.851 -0.430 439 H TYR 57 H TYR 57 3.859 10.183 1.245 440 HA TYR 57 HA TYR 57 2.617 10.540 3.844 441 HB2 TYR 57 HB2 TYR 57 3.500 12.624 2.920 442 HB3 TYR 57 HB3 TYR 57 2.485 12.445 1.497 443 HD1 TYR 57 HD1 TYR 57 1.900 12.279 5.192 444 HD2 TYR 57 HD2 TYR 57 0.745 13.921 1.440 445 HE1 TYR 57 HE1 TYR 57 0.096 13.525 6.299 446 HE2 TYR 57 HE2 TYR 57 -1.063 15.175 2.542 447 HH TYR 57 HH TYR 57 -1.253 15.549 5.903 448 H LEU 58 H LEU 58 1.446 8.790 3.704 449 HA LEU 58 HA LEU 58 -0.210 8.034 1.578 450 HB2 LEU 58 HB2 LEU 58 -1.239 6.663 3.571 451 HB3 LEU 58 HB3 LEU 58 0.401 6.331 3.015 452 HG LEU 58 HG LEU 58 0.507 8.446 4.902 453 HD11 LEU 58 HD11 LEU 58 -1.602 7.646 5.784 454 HD12 LEU 58 HD12 LEU 58 -0.976 5.998 5.877 455 HD13 LEU 58 HD13 LEU 58 -0.297 7.260 6.907 456 HD21 LEU 58 HD21 LEU 58 1.456 5.581 4.998 457 HD22 LEU 58 HD22 LEU 58 2.337 6.963 4.348 458 HD23 LEU 58 HD23 LEU 58 1.990 6.872 6.075 459 H ALA 59 H ALA 59 -1.527 9.531 0.966 460 HA ALA 59 HA ALA 59 -3.548 10.558 2.826 461 HB1 ALA 59 HB1 ALA 59 -1.834 12.246 2.245 462 HB2 ALA 59 HB2 ALA 59 -2.208 12.017 0.539 463 HB3 ALA 59 HB3 ALA 59 -3.432 12.682 1.626 464 H MET 60 H MET 60 -5.358 9.434 2.266 465 HA MET 60 HA MET 60 -5.882 8.796 -0.499 466 HB2 MET 60 HB2 MET 60 -7.896 7.716 0.360 467 HB3 MET 60 HB3 MET 60 -6.593 7.391 1.504 468 HG2 MET 60 HG2 MET 60 -8.385 7.902 2.859 469 HG3 MET 60 HG3 MET 60 -7.480 9.411 2.797 470 HE1 MET 60 HE1 MET 60 -9.702 10.577 3.808 471 HE2 MET 60 HE2 MET 60 -8.675 11.512 2.721 472 HE3 MET 60 HE3 MET 60 -10.430 11.598 2.568 473 H ASP 61 H ASP 61 -7.224 9.924 -1.895 474 HA ASP 61 HA ASP 61 -8.648 12.201 -0.732 475 HB2 ASP 61 HB2 ASP 61 -7.970 13.485 -2.380 476 HB3 ASP 61 HB3 ASP 61 -6.858 12.218 -2.860 477 H THR 62 H THR 62 -10.611 11.751 -0.378 478 HA THR 62 HA THR 62 -12.656 10.925 -0.362 479 HB THR 62 HB THR 62 -13.837 10.742 -2.485 480 HG1 THR 62 HG1 THR 62 -11.276 10.806 -3.508 481 HG21 THR 62 HG21 THR 62 -13.711 12.873 -1.364 482 HG22 THR 62 HG22 THR 62 -13.657 13.109 -3.111 483 HG23 THR 62 HG23 THR 62 -12.176 13.218 -2.160 484 H ASP 63 H ASP 63 -10.131 9.176 -1.147 485 HA ASP 63 HA ASP 63 -9.608 7.074 -0.549 486 HB2 ASP 63 HB2 ASP 63 -11.821 7.329 0.829 487 HB3 ASP 63 HB3 ASP 63 -12.475 6.251 -0.402 488 H GLY 64 H GLY 64 -10.611 8.192 -3.161 489 HA2 GLY 64 HA3 GLY 64 -11.078 5.677 -4.622 490 HA3 GLY 64 HA2 GLY 64 -11.389 7.289 -5.249 491 H LEU 65 H LEU 65 -8.892 8.358 -4.343 492 HA LEU 65 HA LEU 65 -6.826 6.787 -5.689 493 HB2 LEU 65 HB2 LEU 65 -7.018 9.749 -6.190 494 HB3 LEU 65 HB3 LEU 65 -6.061 8.547 -7.033 495 HG LEU 65 HG LEU 65 -9.050 8.499 -7.199 496 HD11 LEU 65 HD11 LEU 65 -8.893 9.844 -9.232 497 HD12 LEU 65 HD12 LEU 65 -8.350 10.755 -7.822 498 HD13 LEU 65 HD13 LEU 65 -7.168 10.082 -8.946 499 HD21 LEU 65 HD21 LEU 65 -8.575 7.418 -9.345 500 HD22 LEU 65 HD22 LEU 65 -6.846 7.573 -9.036 501 HD23 LEU 65 HD23 LEU 65 -7.839 6.545 -8.001 502 H LEU 66 H LEU 66 -4.702 7.299 -4.862 503 HA LEU 66 HA LEU 66 -4.721 9.041 -2.509 504 HB2 LEU 66 HB2 LEU 66 -3.298 6.887 -1.596 505 HB3 LEU 66 HB3 LEU 66 -4.952 7.296 -1.170 506 HG LEU 66 HG LEU 66 -5.467 5.953 -3.387 507 HD11 LEU 66 HD11 LEU 66 -2.938 4.648 -2.409 508 HD12 LEU 66 HD12 LEU 66 -3.995 4.072 -3.701 509 HD13 LEU 66 HD13 LEU 66 -3.096 5.578 -3.900 510 HD21 LEU 66 HD21 LEU 66 -4.835 4.537 -0.811 511 HD22 LEU 66 HD22 LEU 66 -6.274 5.525 -1.077 512 HD23 LEU 66 HD23 LEU 66 -6.012 4.074 -2.045 513 H TYR 67 H TYR 67 -2.998 10.195 -2.224 514 HA TYR 67 HA TYR 67 -0.597 9.459 -3.768 515 HB2 TYR 67 HB2 TYR 67 -0.305 11.753 -4.436 516 HB3 TYR 67 HB3 TYR 67 -1.959 11.304 -4.826 517 HD1 TYR 67 HD1 TYR 67 -3.811 12.033 -3.173 518 HD2 TYR 67 HD2 TYR 67 0.143 13.623 -3.110 519 HE1 TYR 67 HE1 TYR 67 -4.614 13.979 -1.903 520 HE2 TYR 67 HE2 TYR 67 -0.655 15.566 -1.840 521 HH TYR 67 HH TYR 67 -3.688 15.681 -0.350 522 H GLY 68 H GLY 68 1.405 10.066 -2.787 523 HA2 GLY 68 HA3 GLY 68 1.393 11.479 -0.307 524 HA3 GLY 68 HA2 GLY 68 1.586 9.753 -0.069 525 H SER 69 H SER 69 3.445 11.839 0.619 526 HA SER 69 HA SER 69 5.625 10.351 -0.587 527 HB2 SER 69 HB2 SER 69 5.423 12.391 -1.967 528 HB3 SER 69 HB3 SER 69 5.727 13.356 -0.523 529 HG SER 69 HG SER 69 7.486 12.167 -2.168 530 H GLN 70 H GLN 70 5.043 12.919 1.853 531 HA GLN 70 HA GLN 70 7.616 12.213 3.010 532 HB2 GLN 70 HB2 GLN 70 7.000 14.559 2.682 533 HB3 GLN 70 HB3 GLN 70 5.695 14.369 3.847 534 HG2 GLN 70 HG2 GLN 70 7.385 13.763 5.556 535 HG3 GLN 70 HG3 GLN 70 8.645 14.132 4.382 536 HE21 GLN 70 HE21 GLN 70 8.121 15.332 6.952 537 HE22 GLN 70 HE22 GLN 70 7.866 17.020 6.662 538 H THR 71 H THR 71 4.257 12.068 4.160 539 HA THR 71 HA THR 71 5.296 11.086 6.748 540 HB THR 71 HB THR 71 3.229 12.664 7.549 541 HG1 THR 71 HG1 THR 71 3.917 14.734 6.392 542 HG21 THR 71 HG21 THR 71 6.126 13.461 7.251 543 HG22 THR 71 HG22 THR 71 5.435 12.545 8.591 544 HG23 THR 71 HG23 THR 71 4.959 14.223 8.332 545 HA PRO 72 HA PRO 72 1.329 8.952 6.596 546 HB2 PRO 72 HB2 PRO 72 1.490 7.537 8.849 547 HB3 PRO 72 HB3 PRO 72 2.635 7.278 7.521 548 HG2 PRO 72 HG2 PRO 72 3.117 8.494 10.158 549 HG3 PRO 72 HG3 PRO 72 4.287 7.869 8.988 550 HD2 PRO 72 HD2 PRO 72 3.397 10.634 9.409 551 HD3 PRO 72 HD3 PRO 72 4.778 10.035 8.461 552 H ASN 73 H ASN 73 -0.485 10.255 6.845 553 HA ASN 73 HA ASN 73 -1.122 11.246 9.550 554 HB2 ASN 73 HB2 ASN 73 -1.430 12.657 7.397 555 HB3 ASN 73 HB3 ASN 73 -2.761 11.574 7.014 556 HD21 ASN 73 HD21 ASN 73 -4.686 11.776 8.108 557 HD22 ASN 73 HD22 ASN 73 -5.018 13.077 9.197 558 H GLU 74 H GLU 74 -3.613 10.543 10.218 559 HA GLU 74 HA GLU 74 -3.938 8.002 8.771 560 HB2 GLU 74 HB2 GLU 74 -5.322 8.980 11.288 561 HB3 GLU 74 HB3 GLU 74 -5.677 7.461 10.482 562 HG2 GLU 74 HG2 GLU 74 -4.307 6.883 12.278 563 HG3 GLU 74 HG3 GLU 74 -3.236 6.863 10.881 564 H GLU 75 H GLU 75 -4.551 8.818 7.046 565 HA GLU 75 HA GLU 75 -7.444 9.158 6.890 566 HB2 GLU 75 HB2 GLU 75 -5.281 10.279 5.103 567 HB3 GLU 75 HB3 GLU 75 -6.994 10.251 4.656 568 HG2 GLU 75 HG2 GLU 75 -7.440 11.563 6.758 569 HG3 GLU 75 HG3 GLU 75 -5.695 11.752 6.912 570 H CYS 76 H CYS 76 -4.421 7.767 6.058 571 HA CYS 76 HA CYS 76 -5.601 6.084 4.001 572 HB2 CYS 76 HB2 CYS 76 -2.945 7.104 4.574 573 HB3 CYS 76 HB3 CYS 76 -2.930 5.366 4.250 574 HG CYS 76 HG CYS 76 -4.854 6.492 1.965 575 H LEU 77 H LEU 77 -6.188 5.739 6.884 576 HA LEU 77 HA LEU 77 -5.030 3.278 7.749 577 HB2 LEU 77 HB2 LEU 77 -7.489 4.804 8.571 578 HB3 LEU 77 HB3 LEU 77 -7.148 3.213 9.217 579 HG LEU 77 HG LEU 77 -5.431 5.675 9.545 580 HD11 LEU 77 HD11 LEU 77 -7.492 5.669 10.881 581 HD12 LEU 77 HD12 LEU 77 -7.058 4.086 11.531 582 HD13 LEU 77 HD13 LEU 77 -6.056 5.495 11.891 583 HD21 LEU 77 HD21 LEU 77 -5.051 2.872 10.600 584 HD22 LEU 77 HD22 LEU 77 -4.063 3.661 9.371 585 HD23 LEU 77 HD23 LEU 77 -4.070 4.276 11.023 586 H PHE 78 H PHE 78 -5.651 1.218 7.240 587 HA PHE 78 HA PHE 78 -8.049 0.979 5.622 588 HB2 PHE 78 HB2 PHE 78 -5.312 -0.131 4.986 589 HB3 PHE 78 HB3 PHE 78 -6.778 -0.571 4.135 590 HD1 PHE 78 HD2 PHE 78 -8.179 1.910 3.755 591 HD2 PHE 78 HD1 PHE 78 -4.000 1.133 3.577 592 HE1 PHE 78 HE2 PHE 78 -7.882 3.872 2.302 593 HE2 PHE 78 HE1 PHE 78 -3.695 3.097 2.126 594 HZ PHE 78 HZ PHE 78 -5.636 4.472 1.489 595 H LEU 79 H LEU 79 -8.796 -1.297 5.417 596 HA LEU 79 HA LEU 79 -8.282 -2.784 7.908 597 HB2 LEU 79 HB2 LEU 79 -10.593 -1.965 7.536 598 HB3 LEU 79 HB3 LEU 79 -10.675 -2.918 6.071 599 HG LEU 79 HG LEU 79 -10.110 -4.323 8.648 600 HD11 LEU 79 HD11 LEU 79 -11.985 -2.836 9.165 601 HD12 LEU 79 HD12 LEU 79 -12.846 -3.430 7.744 602 HD13 LEU 79 HD13 LEU 79 -12.501 -4.521 9.086 603 HD21 LEU 79 HD21 LEU 79 -11.407 -6.093 7.560 604 HD22 LEU 79 HD22 LEU 79 -11.696 -5.033 6.180 605 HD23 LEU 79 HD23 LEU 79 -10.059 -5.573 6.549 606 H GLU 80 H GLU 80 -7.722 -4.960 7.848 607 HA GLU 80 HA GLU 80 -6.620 -5.748 5.254 608 HB2 GLU 80 HB2 GLU 80 -5.082 -5.613 7.200 609 HB3 GLU 80 HB3 GLU 80 -6.023 -6.866 7.995 610 HG2 GLU 80 HG2 GLU 80 -5.434 -8.479 6.345 611 HG3 GLU 80 HG3 GLU 80 -4.686 -7.248 5.331 612 H ARG 81 H ARG 81 -7.303 -7.409 4.157 613 HA ARG 81 HA ARG 81 -9.082 -9.379 5.407 614 HB2 ARG 81 HB2 ARG 81 -10.262 -8.438 3.563 615 HB3 ARG 81 HB3 ARG 81 -8.831 -8.455 2.538 616 HG2 ARG 81 HG2 ARG 81 -8.891 -10.952 2.630 617 HG3 ARG 81 HG3 ARG 81 -10.438 -10.827 3.465 618 HD2 ARG 81 HD2 ARG 81 -11.518 -9.968 1.591 619 HD3 ARG 81 HD3 ARG 81 -10.005 -9.476 0.827 620 HE ARG 81 HE ARG 81 -9.619 -12.043 0.775 621 HH11 ARG 81 HH12 ARG 81 -12.692 -10.423 0.266 622 HH12 ARG 81 HH11 ARG 81 -13.286 -11.658 -0.805 623 HH21 ARG 81 HH22 ARG 81 -10.408 -13.657 -0.615 624 HH22 ARG 81 HH21 ARG 81 -12.012 -13.492 -1.297 625 H LEU 82 H LEU 82 -8.374 -11.436 5.493 626 HA LEU 82 HA LEU 82 -5.633 -11.869 4.617 627 HB2 LEU 82 HB2 LEU 82 -7.410 -13.385 6.515 628 HB3 LEU 82 HB3 LEU 82 -5.825 -13.953 6.025 629 HG LEU 82 HG LEU 82 -6.356 -11.349 7.452 630 HD11 LEU 82 HD11 LEU 82 -6.816 -13.248 8.895 631 HD12 LEU 82 HD12 LEU 82 -5.258 -13.964 8.479 632 HD13 LEU 82 HD13 LEU 82 -5.321 -12.453 9.386 633 HD21 LEU 82 HD21 LEU 82 -3.914 -11.307 7.743 634 HD22 LEU 82 HD22 LEU 82 -3.780 -12.755 6.743 635 HD23 LEU 82 HD23 LEU 82 -4.379 -11.253 6.042 636 H GLU 83 H GLU 83 -5.407 -12.625 2.648 637 HA GLU 83 HA GLU 83 -7.224 -14.633 1.606 638 HB2 GLU 83 HB2 GLU 83 -5.058 -12.960 0.497 639 HB3 GLU 83 HB3 GLU 83 -5.163 -14.584 -0.171 640 HG2 GLU 83 HG2 GLU 83 -7.412 -12.586 -0.070 641 HG3 GLU 83 HG3 GLU 83 -6.431 -12.963 -1.487 642 H GLU 84 H GLU 84 -6.087 -16.685 0.691 643 HA GLU 84 HA GLU 84 -5.125 -17.782 3.188 644 HB2 GLU 84 HB2 GLU 84 -7.046 -18.772 1.960 645 HB3 GLU 84 HB3 GLU 84 -5.948 -19.211 0.660 646 HG2 GLU 84 HG2 GLU 84 -4.786 -20.745 2.039 647 HG3 GLU 84 HG3 GLU 84 -5.607 -20.159 3.488 648 H ASN 85 H ASN 85 -3.078 -17.316 3.372 649 HA ASN 85 HA ASN 85 -0.845 -17.404 3.147 650 HB2 ASN 85 HB2 ASN 85 -1.627 -20.209 2.373 651 HB3 ASN 85 HB3 ASN 85 0.027 -19.728 2.738 652 HD21 ASN 85 HD21 ASN 85 -3.107 -20.409 4.027 653 HD22 ASN 85 HD22 ASN 85 -2.669 -20.329 5.701 654 H HIS 86 H HIS 86 -2.054 -16.355 0.822 655 HA HIS 86 HA HIS 86 0.287 -16.650 -0.800 656 HB2 HIS 86 HB2 HIS 86 -1.031 -16.664 -2.941 657 HB3 HIS 86 HB3 HIS 86 -1.069 -18.146 -2.003 658 HD1 HIS 86 HD1 HIS 86 -3.266 -19.074 -2.749 659 HD2 HIS 86 HD2 HIS 86 -3.581 -15.128 -1.474 660 HE1 HIS 86 HE1 HIS 86 -5.725 -18.563 -2.734 661 HE2 HIS 86 HE2 HIS 86 -5.908 -16.165 -1.972 662 H TYR 87 H TYR 87 -2.371 -14.639 0.201 663 HA TYR 87 HA TYR 87 -0.945 -12.329 -0.804 664 HB2 TYR 87 HB2 TYR 87 -3.662 -13.099 -1.855 665 HB3 TYR 87 HB3 TYR 87 -3.111 -11.428 -1.853 666 HD1 TYR 87 HD1 TYR 87 -0.753 -11.044 -2.985 667 HD2 TYR 87 HD2 TYR 87 -3.264 -14.399 -3.714 668 HE1 TYR 87 HE1 TYR 87 0.389 -11.426 -5.127 669 HE2 TYR 87 HE2 TYR 87 -2.129 -14.790 -5.859 670 HH TYR 87 HH TYR 87 -0.818 -13.461 -7.518 671 H ASN 88 H ASN 88 -1.629 -10.359 0.022 672 HA ASN 88 HA ASN 88 -3.520 -10.441 2.283 673 HB2 ASN 88 HB2 ASN 88 -1.220 -8.608 1.575 674 HB3 ASN 88 HB3 ASN 88 -2.429 -8.170 2.768 675 HD21 ASN 88 HD21 ASN 88 -2.360 -9.083 4.779 676 HD22 ASN 88 HD22 ASN 88 -1.094 -10.134 5.302 677 H THR 89 H THR 89 -5.329 -9.225 2.177 678 HA THR 89 HA THR 89 -5.657 -7.506 -0.198 679 HB THR 89 HB THR 89 -7.945 -8.740 1.340 680 HG1 THR 89 HG1 THR 89 -6.236 -9.904 -0.564 681 HG21 THR 89 HG21 THR 89 -9.122 -8.424 -0.797 682 HG22 THR 89 HG22 THR 89 -7.647 -7.766 -1.509 683 HG23 THR 89 HG23 THR 89 -8.459 -6.901 -0.204 684 H TYR 90 H TYR 90 -7.125 -5.589 0.262 685 HA TYR 90 HA TYR 90 -7.230 -4.872 3.077 686 HB2 TYR 90 HB2 TYR 90 -5.645 -3.308 1.030 687 HB3 TYR 90 HB3 TYR 90 -6.122 -2.657 2.597 688 HD1 TYR 90 HD1 TYR 90 -5.370 -3.959 4.674 689 HD2 TYR 90 HD2 TYR 90 -3.635 -4.522 0.832 690 HE1 TYR 90 HE1 TYR 90 -3.402 -4.985 5.720 691 HE2 TYR 90 HE2 TYR 90 -1.653 -5.549 1.875 692 HH TYR 90 HH TYR 90 -1.620 -6.516 5.166 693 H ILE 91 H ILE 91 -8.528 -3.002 3.517 694 HA ILE 91 HA ILE 91 -10.479 -2.440 1.387 695 HB ILE 91 HB ILE 91 -10.948 -3.734 3.870 696 HG12 ILE 91 HG12 ILE 91 -13.306 -3.700 3.084 697 HG13 ILE 91 HG13 ILE 91 -12.833 -2.550 1.835 698 HG21 ILE 91 HG21 ILE 91 -12.663 -2.281 4.887 699 HG22 ILE 91 HG22 ILE 91 -11.042 -1.594 4.995 700 HG23 ILE 91 HG23 ILE 91 -12.181 -0.985 3.795 701 HD11 ILE 91 HD11 ILE 91 -13.002 -4.802 0.947 702 HD12 ILE 91 HD12 ILE 91 -11.340 -4.219 0.871 703 HD13 ILE 91 HD13 ILE 91 -11.814 -5.368 2.122 704 H SER 92 H SER 92 -11.429 -0.353 1.491 705 HA SER 92 HA SER 92 -9.519 1.616 2.414 706 HB2 SER 92 HB2 SER 92 -12.058 2.174 0.887 707 HB3 SER 92 HB3 SER 92 -10.546 3.080 0.879 708 HG SER 92 HG SER 92 -10.533 1.969 -0.977 709 H LYS 93 H LYS 93 -9.816 1.936 4.549 710 HA LYS 93 HA LYS 93 -12.339 1.622 5.823 711 HB2 LYS 93 HB2 LYS 93 -9.563 2.180 6.557 712 HB3 LYS 93 HB3 LYS 93 -10.743 2.913 7.643 713 HG2 LYS 93 HG2 LYS 93 -10.776 0.026 6.874 714 HG3 LYS 93 HG3 LYS 93 -9.864 0.637 8.253 715 HD2 LYS 93 HD2 LYS 93 -12.383 1.733 8.586 716 HD3 LYS 93 HD3 LYS 93 -12.715 0.110 7.978 717 HE2 LYS 93 HE2 LYS 93 -12.649 -0.066 10.338 718 HE3 LYS 93 HE3 LYS 93 -11.131 -0.748 9.751 719 HZ1 LYS 93 HZ1 LYS 93 -11.378 2.060 10.679 720 HZ2 LYS 93 HZ2 LYS 93 -9.953 1.174 10.423 721 HZ3 LYS 93 HZ3 LYS 93 -10.970 0.791 11.717 722 H LYS 94 H LYS 94 -11.048 4.192 4.107 723 HA LYS 94 HA LYS 94 -12.237 6.304 5.634 724 HB2 LYS 94 HB2 LYS 94 -10.362 6.684 3.979 725 HB3 LYS 94 HB3 LYS 94 -11.519 6.431 2.677 726 HG2 LYS 94 HG2 LYS 94 -11.346 8.736 2.916 727 HG3 LYS 94 HG3 LYS 94 -12.877 8.288 3.690 728 HD2 LYS 94 HD2 LYS 94 -11.689 8.248 5.890 729 HD3 LYS 94 HD3 LYS 94 -10.265 8.897 5.076 730 HE2 LYS 94 HE2 LYS 94 -11.435 10.713 6.098 731 HE3 LYS 94 HE3 LYS 94 -11.644 10.836 4.353 732 HZ1 LYS 94 HZ1 LYS 94 -13.625 9.826 6.322 733 HZ2 LYS 94 HZ2 LYS 94 -13.831 9.733 4.642 734 HZ3 LYS 94 HZ3 LYS 94 -13.730 11.245 5.397 735 H HIS 95 H HIS 95 -13.020 5.086 2.394 736 HA HIS 95 HA HIS 95 -15.855 5.450 3.006 737 HB2 HIS 95 HB2 HIS 95 -14.367 4.793 0.485 738 HB3 HIS 95 HB3 HIS 95 -16.109 4.566 0.591 739 HD1 HIS 95 HD1 HIS 95 -13.792 7.407 1.593 740 HD2 HIS 95 HD2 HIS 95 -17.293 6.712 -0.521 741 HE1 HIS 95 HE1 HIS 95 -14.600 9.665 0.881 742 HE2 HIS 95 HE2 HIS 95 -16.592 9.203 -0.592 743 H ALA 96 H ALA 96 -14.686 3.556 4.617 744 HA ALA 96 HA ALA 96 -14.906 0.914 3.744 745 HB1 ALA 96 HB1 ALA 96 -13.916 1.586 5.892 746 HB2 ALA 96 HB2 ALA 96 -15.530 1.950 6.503 747 HB3 ALA 96 HB3 ALA 96 -15.103 0.294 6.073 748 H GLU 97 H GLU 97 -17.390 3.146 4.829 749 HA GLU 97 HA GLU 97 -19.401 1.117 5.102 750 HB2 GLU 97 HB2 GLU 97 -20.632 3.657 4.893 751 HB3 GLU 97 HB3 GLU 97 -20.381 2.687 6.333 752 HG2 GLU 97 HG2 GLU 97 -19.433 4.733 6.864 753 HG3 GLU 97 HG3 GLU 97 -18.052 3.737 6.411 754 H LYS 98 H LYS 98 -18.075 2.718 2.462 755 HA LYS 98 HA LYS 98 -20.490 2.397 0.846 756 HB2 LYS 98 HB2 LYS 98 -17.839 3.710 0.412 757 HB3 LYS 98 HB3 LYS 98 -18.764 3.193 -0.989 758 HG2 LYS 98 HG2 LYS 98 -19.197 5.517 -0.527 759 HG3 LYS 98 HG3 LYS 98 -20.653 4.565 -0.234 760 HD2 LYS 98 HD2 LYS 98 -20.071 4.553 2.188 761 HD3 LYS 98 HD3 LYS 98 -18.744 5.660 1.825 762 HE2 LYS 98 HE2 LYS 98 -20.681 6.890 2.621 763 HE3 LYS 98 HE3 LYS 98 -20.355 7.282 0.934 764 HZ1 LYS 98 HZ1 LYS 98 -22.155 5.951 0.225 765 HZ2 LYS 98 HZ2 LYS 98 -22.748 6.878 1.517 766 HZ3 LYS 98 HZ3 LYS 98 -22.348 5.245 1.757 767 H ASN 99 H ASN 99 -18.021 0.511 1.932 768 HA ASN 99 HA ASN 99 -17.661 -1.698 1.570 769 HB2 ASN 99 HB2 ASN 99 -19.696 -1.273 -0.581 770 HB3 ASN 99 HB3 ASN 99 -18.749 -2.758 -0.567 771 HD21 ASN 99 HD21 ASN 99 -21.193 -0.898 1.030 772 HD22 ASN 99 HD22 ASN 99 -21.701 -2.135 2.127 773 H TRP 100 H TRP 100 -16.204 0.610 0.370 774 HA TRP 100 HA TRP 100 -15.106 -0.296 -2.097 775 HB2 TRP 100 HB2 TRP 100 -14.448 1.875 -0.153 776 HB3 TRP 100 HB3 TRP 100 -13.271 1.440 -1.384 777 HD1 TRP 100 HD1 TRP 100 -16.573 1.052 -2.949 778 HE1 TRP 100 HE1 TRP 100 -17.160 3.150 -4.346 779 HE3 TRP 100 HE3 TRP 100 -13.029 4.214 -1.146 780 HZ2 TRP 100 HZ2 TRP 100 -16.208 5.825 -4.617 781 HZ3 TRP 100 HZ3 TRP 100 -12.921 6.497 -1.998 782 HH2 TRP 100 HH2 TRP 100 -14.446 7.306 -3.680 783 H PHE 101 H PHE 101 -13.298 -1.383 -2.512 784 HA PHE 101 HA PHE 101 -11.839 -2.638 -0.295 785 HB2 PHE 101 HB2 PHE 101 -11.390 -3.058 -3.260 786 HB3 PHE 101 HB3 PHE 101 -10.835 -4.074 -1.941 787 HD1 PHE 101 HD1 PHE 101 -13.903 -2.926 -3.682 788 HD2 PHE 101 HD2 PHE 101 -12.065 -5.926 -1.289 789 HE1 PHE 101 HE1 PHE 101 -15.844 -4.390 -4.037 790 HE2 PHE 101 HE2 PHE 101 -14.011 -7.393 -1.629 791 HZ PHE 101 HZ PHE 101 -15.896 -6.629 -3.021 792 H VAL 102 H VAL 102 -9.454 -2.227 -0.150 793 HA VAL 102 HA VAL 102 -8.793 0.124 -1.784 794 HB VAL 102 HB VAL 102 -8.657 0.159 0.842 795 HG11 VAL 102 HG11 VAL 102 -5.932 -0.891 0.150 796 HG12 VAL 102 HG12 VAL 102 -6.401 -0.177 1.693 797 HG13 VAL 102 HG13 VAL 102 -7.144 -1.683 1.157 798 HG21 VAL 102 HG21 VAL 102 -8.197 2.030 -0.589 799 HG22 VAL 102 HG22 VAL 102 -6.986 1.931 0.686 800 HG23 VAL 102 HG23 VAL 102 -6.591 1.398 -0.946 801 H GLY 103 H GLY 103 -7.756 -0.310 -3.510 802 HA2 GLY 103 HA3 GLY 103 -5.502 -2.195 -3.460 803 HA3 GLY 103 HA2 GLY 103 -6.714 -2.386 -4.697 804 H LEU 104 H LEU 104 -3.819 -1.657 -4.653 805 HA LEU 104 HA LEU 104 -4.079 0.923 -6.035 806 HB2 LEU 104 HB2 LEU 104 -1.682 1.370 -5.133 807 HB3 LEU 104 HB3 LEU 104 -3.086 1.748 -4.166 808 HG LEU 104 HG LEU 104 -2.713 -0.193 -2.771 809 HD11 LEU 104 HD11 LEU 104 -0.357 -0.786 -4.536 810 HD12 LEU 104 HD12 LEU 104 -0.813 -1.647 -3.064 811 HD13 LEU 104 HD13 LEU 104 -1.860 -1.713 -4.482 812 HD21 LEU 104 HD21 LEU 104 -1.507 1.838 -2.207 813 HD22 LEU 104 HD22 LEU 104 -0.545 0.413 -1.810 814 HD23 LEU 104 HD23 LEU 104 -0.173 1.351 -3.259 815 H LYS 105 H LYS 105 -2.708 1.279 -7.831 816 HA LYS 105 HA LYS 105 -1.834 -1.360 -8.812 817 HB2 LYS 105 HB2 LYS 105 -3.285 0.648 -10.028 818 HB3 LYS 105 HB3 LYS 105 -1.675 0.896 -10.679 819 HG2 LYS 105 HG2 LYS 105 -3.181 -1.709 -10.791 820 HG3 LYS 105 HG3 LYS 105 -3.115 -0.523 -12.095 821 HD2 LYS 105 HD2 LYS 105 -0.684 -0.787 -12.201 822 HD3 LYS 105 HD3 LYS 105 -0.759 -1.979 -10.902 823 HE2 LYS 105 HE2 LYS 105 -0.602 -3.107 -13.034 824 HE3 LYS 105 HE3 LYS 105 -2.186 -3.400 -12.321 825 HZ1 LYS 105 HZ1 LYS 105 -2.241 -2.888 -14.723 826 HZ2 LYS 105 HZ2 LYS 105 -1.651 -1.333 -14.390 827 HZ3 LYS 105 HZ3 LYS 105 -3.163 -1.816 -13.793 828 H LYS 106 H LYS 106 0.068 -1.686 -7.896 829 HA LYS 106 HA LYS 106 2.046 0.353 -7.878 830 HB2 LYS 106 HB2 LYS 106 3.558 -1.249 -6.928 831 HB3 LYS 106 HB3 LYS 106 1.989 -1.422 -6.161 832 HG2 LYS 106 HG2 LYS 106 2.735 -3.607 -6.469 833 HG3 LYS 106 HG3 LYS 106 1.581 -3.353 -7.778 834 HD2 LYS 106 HD2 LYS 106 3.381 -2.966 -9.339 835 HD3 LYS 106 HD3 LYS 106 4.569 -3.066 -8.041 836 HE2 LYS 106 HE2 LYS 106 2.740 -5.318 -8.836 837 HE3 LYS 106 HE3 LYS 106 4.378 -5.118 -9.450 838 HZ1 LYS 106 HZ1 LYS 106 4.402 -6.631 -7.618 839 HZ2 LYS 106 HZ2 LYS 106 3.577 -5.537 -6.629 840 HZ3 LYS 106 HZ3 LYS 106 5.160 -5.194 -7.127 841 H ASN 107 H ASN 107 1.059 -2.024 -10.179 842 HA ASN 107 HA ASN 107 3.596 -2.063 -11.475 843 HB2 ASN 107 HB2 ASN 107 2.227 -3.927 -11.950 844 HB3 ASN 107 HB3 ASN 107 0.825 -2.925 -12.295 845 HD21 ASN 107 HD21 ASN 107 3.889 -4.097 -13.527 846 HD22 ASN 107 HD22 ASN 107 3.558 -3.745 -15.188 847 H GLY 108 H GLY 108 1.048 0.133 -11.185 848 HA2 GLY 108 HA3 GLY 108 2.323 1.871 -13.202 849 HA3 GLY 108 HA2 GLY 108 0.593 1.922 -12.882 850 H SER 109 H SER 109 -0.113 2.496 -10.900 851 HA SER 109 HA SER 109 1.384 4.085 -9.084 852 HB2 SER 109 HB2 SER 109 -0.011 6.166 -9.662 853 HB3 SER 109 HB3 SER 109 1.303 5.784 -10.774 854 HG SER 109 HG SER 109 -0.098 5.473 -12.301 855 H CYS 110 H CYS 110 -0.146 4.806 -7.342 856 HA CYS 110 HA CYS 110 -2.018 2.628 -7.049 857 HB2 CYS 110 HB2 CYS 110 -0.845 4.676 -5.235 858 HB3 CYS 110 HB3 CYS 110 -1.944 3.409 -4.676 859 HG CYS 110 HG CYS 110 1.279 3.310 -5.245 860 H LYS 111 H LYS 111 -4.081 2.878 -7.565 861 HA LYS 111 HA LYS 111 -5.457 5.333 -6.738 862 HB2 LYS 111 HB2 LYS 111 -6.463 3.697 -9.036 863 HB3 LYS 111 HB3 LYS 111 -6.753 5.389 -8.671 864 HG2 LYS 111 HG2 LYS 111 -5.392 5.637 -10.463 865 HG3 LYS 111 HG3 LYS 111 -4.168 5.560 -9.196 866 HD2 LYS 111 HD2 LYS 111 -3.412 3.515 -9.847 867 HD3 LYS 111 HD3 LYS 111 -5.011 2.980 -10.374 868 HE2 LYS 111 HE2 LYS 111 -3.330 3.313 -12.214 869 HE3 LYS 111 HE3 LYS 111 -4.849 4.182 -12.413 870 HZ1 LYS 111 HZ1 LYS 111 -2.241 5.305 -11.537 871 HZ2 LYS 111 HZ2 LYS 111 -3.700 6.166 -11.475 872 HZ3 LYS 111 HZ3 LYS 111 -3.088 5.647 -12.967 873 H ARG 112 H ARG 112 -6.803 4.561 -4.960 874 HA ARG 112 HA ARG 112 -8.006 1.970 -5.668 875 HB2 ARG 112 HB2 ARG 112 -7.635 2.356 -2.799 876 HB3 ARG 112 HB3 ARG 112 -7.298 0.954 -3.798 877 HG2 ARG 112 HG2 ARG 112 -5.157 2.046 -4.521 878 HG3 ARG 112 HG3 ARG 112 -5.513 3.341 -3.357 879 HD2 ARG 112 HD2 ARG 112 -5.833 1.219 -1.743 880 HD3 ARG 112 HD3 ARG 112 -4.662 0.546 -2.872 881 HE ARG 112 HE ARG 112 -3.649 2.993 -2.140 882 HH11 ARG 112 HH12 ARG 112 -4.532 0.027 -0.512 883 HH12 ARG 112 HH11 ARG 112 -3.429 0.262 0.802 884 HH21 ARG 112 HH22 ARG 112 -2.183 3.316 -0.400 885 HH22 ARG 112 HH21 ARG 112 -2.090 2.141 0.867 886 H GLY 113 H GLY 113 -9.757 3.823 -6.250 887 HA2 GLY 113 HA3 GLY 113 -11.652 3.241 -4.069 888 HA3 GLY 113 HA2 GLY 113 -11.909 4.448 -5.326 889 HA PRO 114 HA PRO 114 -14.619 1.838 -7.387 890 HB2 PRO 114 HB2 PRO 114 -13.362 2.568 -9.966 891 HB3 PRO 114 HB3 PRO 114 -15.026 2.790 -9.416 892 HG2 PRO 114 HG2 PRO 114 -13.353 4.856 -9.574 893 HG3 PRO 114 HG3 PRO 114 -14.520 4.726 -8.245 894 HD2 PRO 114 HD2 PRO 114 -11.583 4.159 -8.255 895 HD3 PRO 114 HD3 PRO 114 -12.576 4.942 -7.008 896 H ARG 115 H ARG 115 -11.262 1.366 -8.548 897 HA ARG 115 HA ARG 115 -12.117 -1.109 -9.836 898 HB2 ARG 115 HB2 ARG 115 -9.933 -1.128 -10.939 899 HB3 ARG 115 HB3 ARG 115 -10.770 0.390 -11.211 900 HG2 ARG 115 HG2 ARG 115 -8.683 0.081 -9.075 901 HG3 ARG 115 HG3 ARG 115 -8.273 0.483 -10.742 902 HD2 ARG 115 HD2 ARG 115 -10.011 2.068 -8.857 903 HD3 ARG 115 HD3 ARG 115 -8.414 2.510 -9.458 904 HE ARG 115 HE ARG 115 -10.765 2.255 -11.235 905 HH11 ARG 115 HH12 ARG 115 -7.926 3.983 -10.129 906 HH12 ARG 115 HH11 ARG 115 -8.045 5.233 -11.330 907 HH21 ARG 115 HH22 ARG 115 -10.954 3.928 -12.807 908 HH22 ARG 115 HH21 ARG 115 -9.796 5.233 -12.806 909 H THR 116 H THR 116 -11.602 -0.553 -6.868 910 HA THR 116 HA THR 116 -9.405 -2.296 -6.203 911 HB THR 116 HB THR 116 -10.206 -1.927 -3.943 912 HG1 THR 116 HG1 THR 116 -11.963 -0.050 -4.191 913 HG21 THR 116 HG21 THR 116 -8.677 -0.350 -5.112 914 HG22 THR 116 HG22 THR 116 -9.674 0.439 -3.887 915 HG23 THR 116 HG23 THR 116 -10.088 0.591 -5.595 916 H HIS 117 H HIS 117 -12.533 -2.721 -7.009 917 HA HIS 117 HA HIS 117 -13.100 -5.113 -5.599 918 HB2 HIS 117 HB2 HIS 117 -15.174 -5.144 -6.755 919 HB3 HIS 117 HB3 HIS 117 -14.885 -3.437 -6.468 920 HD1 HIS 117 HD1 HIS 117 -14.341 -1.960 -8.581 921 HD2 HIS 117 HD2 HIS 117 -15.296 -5.926 -9.400 922 HE1 HIS 117 HE1 HIS 117 -14.810 -2.053 -11.048 923 HE2 HIS 117 HE2 HIS 117 -15.621 -4.407 -11.461 924 H TYR 118 H TYR 118 -13.791 -6.827 -7.680 925 HA TYR 118 HA TYR 118 -11.077 -7.342 -8.517 926 HB2 TYR 118 HB2 TYR 118 -12.627 -8.995 -7.662 927 HB3 TYR 118 HB3 TYR 118 -13.699 -8.745 -9.024 928 HD1 TYR 118 HD1 TYR 118 -10.158 -9.675 -8.337 929 HD2 TYR 118 HD2 TYR 118 -13.576 -10.239 -10.807 930 HE1 TYR 118 HE1 TYR 118 -8.952 -11.403 -9.594 931 HE2 TYR 118 HE2 TYR 118 -12.376 -11.979 -12.072 932 HH TYR 118 HH TYR 118 -9.450 -13.343 -10.979 933 H GLY 119 H GLY 119 -10.958 -5.424 -9.589 934 HA2 GLY 119 HA3 GLY 119 -11.844 -5.454 -12.385 935 HA3 GLY 119 HA2 GLY 119 -11.354 -4.004 -11.495 936 H GLN 120 H GLN 120 -9.273 -5.374 -10.103 937 HA GLN 120 HA GLN 120 -7.191 -5.279 -12.183 938 HB2 GLN 120 HB2 GLN 120 -7.898 -3.057 -10.894 939 HB3 GLN 120 HB3 GLN 120 -6.934 -3.764 -9.608 940 HG2 GLN 120 HG2 GLN 120 -5.567 -2.246 -10.821 941 HG3 GLN 120 HG3 GLN 120 -5.008 -3.884 -11.145 942 HE21 GLN 120 HE21 GLN 120 -7.878 -2.547 -12.616 943 HE22 GLN 120 HE22 GLN 120 -7.237 -2.444 -14.216 944 H LYS 121 H LYS 121 -5.230 -6.354 -11.552 945 HA LYS 121 HA LYS 121 -5.514 -8.143 -9.274 946 HB2 LYS 121 HB2 LYS 121 -4.554 -8.828 -11.587 947 HB3 LYS 121 HB3 LYS 121 -3.089 -7.993 -11.070 948 HG2 LYS 121 HG2 LYS 121 -2.876 -9.475 -9.166 949 HG3 LYS 121 HG3 LYS 121 -4.382 -10.285 -9.599 950 HD2 LYS 121 HD2 LYS 121 -1.908 -10.190 -11.325 951 HD3 LYS 121 HD3 LYS 121 -2.370 -11.545 -10.295 952 HE2 LYS 121 HE2 LYS 121 -3.927 -10.457 -12.637 953 HE3 LYS 121 HE3 LYS 121 -3.027 -11.971 -12.591 954 HZ1 LYS 121 HZ1 LYS 121 -4.553 -12.641 -10.730 955 HZ2 LYS 121 HZ2 LYS 121 -5.278 -12.510 -12.253 956 HZ3 LYS 121 HZ3 LYS 121 -5.500 -11.284 -11.107 957 H ALA 122 H ALA 122 -4.671 -5.102 -9.636 958 HA ALA 122 HA ALA 122 -2.336 -4.907 -8.003 959 HB1 ALA 122 HB1 ALA 122 -2.957 -3.168 -9.600 960 HB2 ALA 122 HB2 ALA 122 -4.443 -2.865 -8.699 961 HB3 ALA 122 HB3 ALA 122 -2.879 -2.521 -7.960 962 H ILE 123 H ILE 123 -5.413 -5.870 -7.439 963 HA ILE 123 HA ILE 123 -5.680 -4.795 -4.751 964 HB ILE 123 HB ILE 123 -7.459 -6.896 -5.958 965 HG12 ILE 123 HG12 ILE 123 -7.265 -5.224 -7.702 966 HG13 ILE 123 HG13 ILE 123 -8.849 -5.115 -6.947 967 HG21 ILE 123 HG21 ILE 123 -7.902 -4.632 -4.016 968 HG22 ILE 123 HG22 ILE 123 -9.193 -5.646 -4.663 969 HG23 ILE 123 HG23 ILE 123 -7.921 -6.362 -3.667 970 HD11 ILE 123 HD11 ILE 123 -7.953 -2.925 -7.399 971 HD12 ILE 123 HD12 ILE 123 -8.094 -3.186 -5.661 972 HD13 ILE 123 HD13 ILE 123 -6.515 -3.289 -6.442 973 H LEU 124 H LEU 124 -3.882 -7.203 -6.131 974 HA LEU 124 HA LEU 124 -4.223 -9.007 -3.819 975 HB2 LEU 124 HB2 LEU 124 -3.109 -9.492 -6.577 976 HB3 LEU 124 HB3 LEU 124 -2.816 -10.598 -5.252 977 HG LEU 124 HG LEU 124 -4.594 -11.505 -6.518 978 HD11 LEU 124 HD11 LEU 124 -5.774 -10.145 -4.105 979 HD12 LEU 124 HD12 LEU 124 -6.446 -11.548 -4.938 980 HD13 LEU 124 HD13 LEU 124 -4.892 -11.672 -4.115 981 HD21 LEU 124 HD21 LEU 124 -5.234 -9.509 -7.761 982 HD22 LEU 124 HD22 LEU 124 -6.643 -10.300 -7.054 983 HD23 LEU 124 HD23 LEU 124 -5.988 -8.840 -6.313 984 H PHE 125 H PHE 125 -2.892 -8.281 -2.243 985 HA PHE 125 HA PHE 125 -0.455 -6.884 -3.020 986 HB2 PHE 125 HB2 PHE 125 -1.895 -7.120 -0.362 987 HB3 PHE 125 HB3 PHE 125 -0.444 -6.179 -0.623 988 HD1 PHE 125 HD1 PHE 125 -3.873 -6.512 -2.063 989 HD2 PHE 125 HD2 PHE 125 -0.691 -3.940 -0.907 990 HE1 PHE 125 HE1 PHE 125 -5.265 -4.558 -2.594 991 HE2 PHE 125 HE2 PHE 125 -2.072 -1.980 -1.448 992 HZ PHE 125 HZ PHE 125 -4.364 -2.288 -2.289 993 H LEU 126 H LEU 126 1.532 -7.325 -2.326 994 HA LEU 126 HA LEU 126 1.964 -9.507 -0.427 995 HB2 LEU 126 HB2 LEU 126 2.427 -10.360 -2.702 996 HB3 LEU 126 HB3 LEU 126 3.547 -9.038 -2.963 997 HG LEU 126 HG LEU 126 4.955 -9.920 -1.110 998 HD11 LEU 126 HD11 LEU 126 3.158 -11.130 0.072 999 HD12 LEU 126 HD12 LEU 126 3.111 -12.302 -1.245 1000 HD13 LEU 126 HD13 LEU 126 4.563 -12.145 -0.257 1001 HD21 LEU 126 HD21 LEU 126 4.391 -11.838 -3.366 1002 HD22 LEU 126 HD22 LEU 126 5.467 -10.442 -3.433 1003 HD23 LEU 126 HD23 LEU 126 5.854 -11.806 -2.381 1004 HA PRO 127 HA PRO 127 4.454 -6.074 1.006 1005 HB2 PRO 127 HB2 PRO 127 4.085 -6.598 3.633 1006 HB3 PRO 127 HB3 PRO 127 2.817 -5.900 2.623 1007 HG2 PRO 127 HG2 PRO 127 2.953 -8.555 3.821 1008 HG3 PRO 127 HG3 PRO 127 1.578 -7.753 3.048 1009 HD2 PRO 127 HD2 PRO 127 3.458 -9.712 1.926 1010 HD3 PRO 127 HD3 PRO 127 1.876 -9.188 1.305 1011 H LEU 128 H LEU 128 6.587 -6.413 0.619 1012 HA LEU 128 HA LEU 128 7.928 -8.587 2.083 1013 HB2 LEU 128 HB2 LEU 128 8.775 -7.152 -0.436 1014 HB3 LEU 128 HB3 LEU 128 9.703 -8.402 0.369 1015 HG LEU 128 HG LEU 128 6.981 -8.785 -0.886 1016 HD11 LEU 128 HD11 LEU 128 8.702 -8.417 -2.558 1017 HD12 LEU 128 HD12 LEU 128 9.724 -9.640 -1.800 1018 HD13 LEU 128 HD13 LEU 128 8.199 -10.108 -2.554 1019 HD21 LEU 128 HD21 LEU 128 7.369 -10.257 1.036 1020 HD22 LEU 128 HD22 LEU 128 7.357 -11.156 -0.482 1021 HD23 LEU 128 HD23 LEU 128 8.888 -10.792 0.315 1022 HA PRO 129 HA PRO 129 9.832 -5.157 4.198 1023 HB2 PRO 129 HB2 PRO 129 10.759 -6.568 6.295 1024 HB3 PRO 129 HB3 PRO 129 9.048 -6.167 6.109 1025 HG2 PRO 129 HG2 PRO 129 10.443 -8.750 5.690 1026 HG3 PRO 129 HG3 PRO 129 8.780 -8.438 6.212 1027 HD2 PRO 129 HD2 PRO 129 9.641 -9.141 3.618 1028 HD3 PRO 129 HD3 PRO 129 8.023 -8.587 4.087 1029 H VAL 130 H VAL 130 11.941 -4.446 4.622 1030 HA VAL 130 HA VAL 130 13.704 -5.115 2.559 1031 HB VAL 130 HB VAL 130 14.579 -3.637 5.014 1032 HG11 VAL 130 HG11 VAL 130 16.289 -4.040 3.350 1033 HG12 VAL 130 HG12 VAL 130 15.266 -3.335 2.100 1034 HG13 VAL 130 HG13 VAL 130 15.884 -2.325 3.406 1035 HG21 VAL 130 HG21 VAL 130 13.645 -1.586 4.020 1036 HG22 VAL 130 HG22 VAL 130 12.882 -2.560 2.763 1037 HG23 VAL 130 HG23 VAL 130 12.390 -2.749 4.447 1038 H SER 131 H SER 131 15.673 -6.023 2.480 1039 HA SER 131 HA SER 131 16.232 -8.156 4.360 1040 HB2 SER 131 HB2 SER 131 16.277 -8.502 1.871 1041 HB3 SER 131 HB3 SER 131 17.667 -7.423 1.792 1042 HG SER 131 HG SER 131 18.642 -9.313 1.978 1043 H SER 132 H SER 132 18.568 -8.500 5.023 1044 HA SER 132 HA SER 132 19.548 -6.009 6.150 1045 HB2 SER 132 HB2 SER 132 20.468 -8.868 6.545 1046 HB3 SER 132 HB3 SER 132 21.069 -7.477 7.445 1047 HG SER 132 HG SER 132 19.509 -8.003 8.756 1048 H ASP 133 H ASP 133 20.239 -5.129 4.152 1049 HA ASP 133 HA ASP 133 22.871 -6.140 3.310 1050 HB2 ASP 133 HB2 ASP 133 20.699 -4.745 1.777 1051 HB3 ASP 133 HB3 ASP 133 22.375 -4.559 1.272 Start of MODEL 6 1 H1 TYR 1 H1 TYR 1 16.647 -7.444 11.558 2 H2 TYR 1 H2 TYR 1 17.767 -6.580 10.631 3 H3 TYR 1 H3 TYR 1 17.653 -8.264 10.461 4 HA TYR 1 HA TYR 1 16.593 -7.222 8.605 5 HB2 TYR 1 HB2 TYR 1 14.754 -8.467 10.649 6 HB3 TYR 1 HB3 TYR 1 14.178 -7.998 9.053 7 HD1 TYR 1 HD1 TYR 1 16.333 -10.302 10.920 8 HD2 TYR 1 HD2 TYR 1 14.810 -9.261 7.085 9 HE1 TYR 1 HE1 TYR 1 17.117 -12.454 10.032 10 HE2 TYR 1 HE2 TYR 1 15.590 -11.413 6.187 11 HH TYR 1 HH TYR 1 17.190 -13.137 6.662 12 H LYS 2 H LYS 2 15.093 -5.737 7.768 13 HA LYS 2 HA LYS 2 14.581 -3.479 9.552 14 HB2 LYS 2 HB2 LYS 2 14.206 -3.698 6.556 15 HB3 LYS 2 HB3 LYS 2 14.110 -2.227 7.510 16 HG2 LYS 2 HG2 LYS 2 16.600 -3.895 7.250 17 HG3 LYS 2 HG3 LYS 2 16.223 -2.515 6.218 18 HD2 LYS 2 HD2 LYS 2 16.519 -2.432 9.221 19 HD3 LYS 2 HD3 LYS 2 17.741 -1.917 8.058 20 HE2 LYS 2 HE2 LYS 2 16.113 -0.251 7.180 21 HE3 LYS 2 HE3 LYS 2 15.007 -0.712 8.474 22 HZ1 LYS 2 HZ1 LYS 2 16.188 1.217 9.168 23 HZ2 LYS 2 HZ2 LYS 2 17.683 0.538 8.755 24 HZ3 LYS 2 HZ3 LYS 2 16.802 -0.090 10.064 25 H LYS 3 H LYS 3 12.547 -2.747 9.978 26 HA LYS 3 HA LYS 3 10.387 -4.587 9.665 27 HB2 LYS 3 HB2 LYS 3 10.724 -1.952 10.991 28 HB3 LYS 3 HB3 LYS 3 9.105 -2.498 10.584 29 HG2 LYS 3 HG2 LYS 3 9.609 -3.103 12.856 30 HG3 LYS 3 HG3 LYS 3 9.503 -4.563 11.873 31 HD2 LYS 3 HD2 LYS 3 11.981 -4.556 11.699 32 HD3 LYS 3 HD3 LYS 3 12.018 -3.180 12.803 33 HE2 LYS 3 HE2 LYS 3 10.918 -5.924 13.402 34 HE3 LYS 3 HE3 LYS 3 12.438 -5.259 13.996 35 HZ1 LYS 3 HZ1 LYS 3 11.155 -3.524 15.139 36 HZ2 LYS 3 HZ2 LYS 3 10.754 -5.081 15.680 37 HZ3 LYS 3 HZ3 LYS 3 9.711 -4.259 14.629 38 HA PRO 4 HA PRO 4 8.911 -0.744 6.720 39 HB2 PRO 4 HB2 PRO 4 11.140 -0.768 4.925 40 HB3 PRO 4 HB3 PRO 4 10.527 0.585 5.876 41 HG2 PRO 4 HG2 PRO 4 12.757 -1.274 6.465 42 HG3 PRO 4 HG3 PRO 4 12.532 0.414 6.961 43 HD2 PRO 4 HD2 PRO 4 12.232 -1.569 8.712 44 HD3 PRO 4 HD3 PRO 4 11.135 -0.170 8.738 45 H LYS 5 H LYS 5 7.515 -1.926 5.631 46 HA LYS 5 HA LYS 5 8.431 -4.302 4.229 47 HB2 LYS 5 HB2 LYS 5 5.633 -3.273 4.762 48 HB3 LYS 5 HB3 LYS 5 6.006 -4.760 3.893 49 HG2 LYS 5 HG2 LYS 5 7.339 -5.371 6.036 50 HG3 LYS 5 HG3 LYS 5 6.350 -4.126 6.793 51 HD2 LYS 5 HD2 LYS 5 5.210 -6.450 5.251 52 HD3 LYS 5 HD3 LYS 5 5.481 -6.478 6.992 53 HE2 LYS 5 HE2 LYS 5 4.027 -4.420 7.126 54 HE3 LYS 5 HE3 LYS 5 3.614 -4.706 5.435 55 HZ1 LYS 5 HZ1 LYS 5 1.961 -5.670 6.918 56 HZ2 LYS 5 HZ2 LYS 5 3.156 -6.606 7.677 57 HZ3 LYS 5 HZ3 LYS 5 2.763 -6.893 6.054 58 H LEU 6 H LEU 6 7.632 -4.640 2.067 59 HA LEU 6 HA LEU 6 8.022 -2.224 0.474 60 HB2 LEU 6 HB2 LEU 6 9.378 -4.441 0.333 61 HB3 LEU 6 HB3 LEU 6 7.983 -5.065 -0.513 62 HG LEU 6 HG LEU 6 9.632 -2.708 -1.443 63 HD11 LEU 6 HD11 LEU 6 9.601 -5.576 -2.364 64 HD12 LEU 6 HD12 LEU 6 10.525 -4.262 -3.094 65 HD13 LEU 6 HD13 LEU 6 10.899 -4.798 -1.456 66 HD21 LEU 6 HD21 LEU 6 7.494 -4.325 -2.827 67 HD22 LEU 6 HD22 LEU 6 7.336 -2.660 -2.270 68 HD23 LEU 6 HD23 LEU 6 8.467 -3.051 -3.565 69 H LEU 7 H LEU 7 6.522 -1.568 -1.033 70 HA LEU 7 HA LEU 7 3.874 -2.795 -0.914 71 HB2 LEU 7 HB2 LEU 7 4.266 -0.287 -0.830 72 HB3 LEU 7 HB3 LEU 7 4.813 -0.383 -2.486 73 HG LEU 7 HG LEU 7 2.538 0.471 -2.305 74 HD11 LEU 7 HD11 LEU 7 3.135 -0.688 -4.340 75 HD12 LEU 7 HD12 LEU 7 2.515 -2.193 -3.655 76 HD13 LEU 7 HD13 LEU 7 1.422 -0.833 -3.953 77 HD21 LEU 7 HD21 LEU 7 0.694 -0.977 -1.602 78 HD22 LEU 7 HD22 LEU 7 1.863 -2.214 -1.140 79 HD23 LEU 7 HD23 LEU 7 1.833 -0.669 -0.292 80 H TYR 8 H TYR 8 4.441 -4.753 -1.984 81 HA TYR 8 HA TYR 8 4.686 -4.318 -4.911 82 HB2 TYR 8 HB2 TYR 8 6.535 -5.521 -3.788 83 HB3 TYR 8 HB3 TYR 8 5.394 -6.647 -3.090 84 HD1 TYR 8 HD1 TYR 8 4.254 -8.309 -4.616 85 HD2 TYR 8 HD2 TYR 8 7.515 -5.885 -5.876 86 HE1 TYR 8 HE1 TYR 8 4.730 -9.902 -6.425 87 HE2 TYR 8 HE2 TYR 8 7.990 -7.463 -7.699 88 HH TYR 8 HH TYR 8 7.604 -9.874 -8.182 89 H CYS 9 H CYS 9 2.280 -3.995 -5.094 90 HA CYS 9 HA CYS 9 0.961 -6.635 -4.863 91 HB2 CYS 9 HB2 CYS 9 -0.580 -4.079 -4.714 92 HB3 CYS 9 HB3 CYS 9 -0.935 -5.645 -3.984 93 HG CYS 9 HG CYS 9 -0.377 -3.666 -2.007 94 H SER 10 H SER 10 1.939 -6.479 -7.194 95 HA SER 10 HA SER 10 -0.554 -6.924 -8.534 96 HB2 SER 10 HB2 SER 10 0.471 -4.904 -9.668 97 HB3 SER 10 HB3 SER 10 1.897 -5.882 -10.005 98 HG SER 10 HG SER 10 -0.634 -6.796 -10.804 99 H ASN 11 H ASN 11 -0.242 -9.204 -9.628 100 HA ASN 11 HA ASN 11 2.379 -10.248 -8.920 101 HB2 ASN 11 HB2 ASN 11 0.362 -11.750 -9.112 102 HB3 ASN 11 HB3 ASN 11 0.374 -11.459 -10.849 103 HD21 ASN 11 HD21 ASN 11 0.656 -13.698 -11.166 104 HD22 ASN 11 HD22 ASN 11 2.201 -14.448 -10.939 105 H GLY 12 H GLY 12 3.885 -9.036 -9.837 106 HA2 GLY 12 HA3 GLY 12 4.343 -9.190 -12.684 107 HA3 GLY 12 HA2 GLY 12 4.023 -7.560 -12.099 108 H GLY 13 H GLY 13 5.836 -6.450 -11.826 109 HA2 GLY 13 HA3 GLY 13 7.273 -7.041 -9.486 110 HA3 GLY 13 HA2 GLY 13 8.303 -7.406 -10.859 111 H HIS 14 H HIS 14 6.311 -4.835 -9.477 112 HA HIS 14 HA HIS 14 8.531 -2.987 -9.882 113 HB2 HIS 14 HB2 HIS 14 5.631 -2.468 -10.483 114 HB3 HIS 14 HB3 HIS 14 6.691 -1.149 -9.991 115 HD1 HIS 14 HD1 HIS 14 5.316 -1.660 -12.898 116 HD2 HIS 14 HD2 HIS 14 9.296 -2.156 -11.827 117 HE1 HIS 14 HE1 HIS 14 6.609 -1.522 -15.039 118 HE2 HIS 14 HE2 HIS 14 8.994 -1.988 -14.396 119 H PHE 15 H PHE 15 8.173 -1.024 -8.234 120 HA PHE 15 HA PHE 15 6.991 -2.044 -5.757 121 HB2 PHE 15 HB2 PHE 15 9.667 -0.654 -5.765 122 HB3 PHE 15 HB3 PHE 15 8.927 -1.588 -4.472 123 HD1 PHE 15 HD2 PHE 15 8.551 -4.117 -4.993 124 HD2 PHE 15 HD1 PHE 15 11.323 -1.635 -7.055 125 HE1 PHE 15 HE2 PHE 15 9.809 -6.110 -5.693 126 HE2 PHE 15 HE1 PHE 15 12.584 -3.624 -7.762 127 HZ PHE 15 HZ PHE 15 11.871 -5.834 -7.091 128 H LEU 16 H LEU 16 6.040 -0.356 -4.508 129 HA LEU 16 HA LEU 16 5.538 2.031 -6.027 130 HB2 LEU 16 HB2 LEU 16 4.070 0.463 -4.344 131 HB3 LEU 16 HB3 LEU 16 4.526 1.765 -3.266 132 HG LEU 16 HG LEU 16 3.550 3.347 -5.018 133 HD11 LEU 16 HD11 LEU 16 2.341 0.753 -5.960 134 HD12 LEU 16 HD12 LEU 16 1.844 2.366 -6.468 135 HD13 LEU 16 HD13 LEU 16 3.456 1.775 -6.865 136 HD21 LEU 16 HD21 LEU 16 1.747 1.412 -3.573 137 HD22 LEU 16 HD22 LEU 16 2.476 2.867 -2.891 138 HD23 LEU 16 HD23 LEU 16 1.281 3.001 -4.180 139 H ARG 17 H ARG 17 6.404 3.949 -5.676 140 HA ARG 17 HA ARG 17 8.284 4.251 -3.423 141 HB2 ARG 17 HB2 ARG 17 8.740 4.708 -6.374 142 HB3 ARG 17 HB3 ARG 17 9.805 5.372 -5.139 143 HG2 ARG 17 HG2 ARG 17 10.382 3.141 -4.410 144 HG3 ARG 17 HG3 ARG 17 9.224 2.444 -5.542 145 HD2 ARG 17 HD2 ARG 17 11.385 2.246 -6.524 146 HD3 ARG 17 HD3 ARG 17 10.521 3.509 -7.397 147 HE ARG 17 HE ARG 17 12.735 3.914 -5.502 148 HH11 ARG 17 HH12 ARG 17 10.576 5.176 -7.952 149 HH12 ARG 17 HH11 ARG 17 11.478 6.638 -8.186 150 HH21 ARG 17 HH22 ARG 17 13.938 5.815 -5.794 151 HH22 ARG 17 HH21 ARG 17 13.387 7.015 -6.931 152 H ILE 18 H ILE 18 8.638 6.503 -2.790 153 HA ILE 18 HA ILE 18 6.277 8.055 -3.460 154 HB ILE 18 HB ILE 18 6.811 9.486 -1.628 155 HG12 ILE 18 HG12 ILE 18 9.318 7.900 -1.101 156 HG13 ILE 18 HG13 ILE 18 9.327 9.392 -2.037 157 HG21 ILE 18 HG21 ILE 18 5.692 7.415 -1.077 158 HG22 ILE 18 HG22 ILE 18 7.245 6.603 -0.889 159 HG23 ILE 18 HG23 ILE 18 6.781 7.884 0.229 160 HD11 ILE 18 HD11 ILE 18 9.962 9.791 0.270 161 HD12 ILE 18 HD12 ILE 18 8.443 10.602 -0.112 162 HD13 ILE 18 HD13 ILE 18 8.432 9.107 0.823 163 H LEU 19 H LEU 19 6.208 9.790 -4.620 164 HA LEU 19 HA LEU 19 8.686 11.262 -5.220 165 HB2 LEU 19 HB2 LEU 19 6.123 11.039 -6.810 166 HB3 LEU 19 HB3 LEU 19 7.367 12.223 -7.153 167 HG LEU 19 HG LEU 19 8.947 10.219 -7.449 168 HD11 LEU 19 HD11 LEU 19 7.886 8.130 -8.124 169 HD12 LEU 19 HD12 LEU 19 7.522 8.519 -6.442 170 HD13 LEU 19 HD13 LEU 19 6.307 8.787 -7.692 171 HD21 LEU 19 HD21 LEU 19 8.180 11.609 -9.286 172 HD22 LEU 19 HD22 LEU 19 8.241 9.914 -9.770 173 HD23 LEU 19 HD23 LEU 19 6.692 10.668 -9.395 174 HA PRO 20 HA PRO 20 7.093 14.304 -2.561 175 HB2 PRO 20 HB2 PRO 20 8.466 16.365 -4.073 176 HB3 PRO 20 HB3 PRO 20 8.853 15.728 -2.470 177 HG2 PRO 20 HG2 PRO 20 10.432 15.262 -4.596 178 HG3 PRO 20 HG3 PRO 20 10.186 14.039 -3.334 179 HD2 PRO 20 HD2 PRO 20 8.886 14.262 -6.029 180 HD3 PRO 20 HD3 PRO 20 9.569 12.829 -5.226 181 H ASP 21 H ASP 21 5.766 14.095 -5.413 182 HA ASP 21 HA ASP 21 4.541 16.771 -5.396 183 HB2 ASP 21 HB2 ASP 21 5.033 14.829 -7.626 184 HB3 ASP 21 HB3 ASP 21 3.797 16.076 -7.776 185 H GLY 22 H GLY 22 3.853 13.728 -4.371 186 HA2 GLY 22 HA3 GLY 22 1.674 13.449 -3.312 187 HA3 GLY 22 HA2 GLY 22 0.962 14.245 -4.710 188 H THR 23 H THR 23 3.356 11.621 -4.560 189 HA THR 23 HA THR 23 1.414 9.766 -5.660 190 HB THR 23 HB THR 23 3.680 9.280 -7.168 191 HG1 THR 23 HG1 THR 23 3.100 11.941 -7.791 192 HG21 THR 23 HG21 THR 23 1.142 10.743 -7.925 193 HG22 THR 23 HG22 THR 23 1.374 8.994 -7.910 194 HG23 THR 23 HG23 THR 23 2.258 9.993 -9.065 195 H VAL 24 H VAL 24 1.669 7.888 -4.564 196 HA VAL 24 HA VAL 24 4.445 6.922 -4.601 197 HB VAL 24 HB VAL 24 3.437 6.896 -2.338 198 HG11 VAL 24 HG11 VAL 24 1.500 5.017 -3.630 199 HG12 VAL 24 HG12 VAL 24 1.692 5.181 -1.879 200 HG13 VAL 24 HG13 VAL 24 1.146 6.554 -2.842 201 HG21 VAL 24 HG21 VAL 24 4.032 4.585 -1.789 202 HG22 VAL 24 HG22 VAL 24 3.996 4.172 -3.504 203 HG23 VAL 24 HG23 VAL 24 5.195 5.316 -2.896 204 H ASP 25 H ASP 25 4.708 5.965 -6.442 205 HA ASP 25 HA ASP 25 2.764 3.987 -7.402 206 HB2 ASP 25 HB2 ASP 25 3.158 4.698 -9.721 207 HB3 ASP 25 HB3 ASP 25 2.516 6.027 -8.763 208 H GLY 26 H GLY 26 3.649 2.294 -8.825 209 HA2 GLY 26 HA3 GLY 26 6.217 1.599 -7.705 210 HA3 GLY 26 HA2 GLY 26 5.218 0.562 -8.680 211 H THR 27 H THR 27 7.980 1.416 -8.498 212 HA THR 27 HA THR 27 8.636 1.322 -11.313 213 HB THR 27 HB THR 27 9.720 3.346 -9.353 214 HG1 THR 27 HG1 THR 27 7.748 3.564 -10.992 215 HG21 THR 27 HG21 THR 27 10.717 2.720 -12.126 216 HG22 THR 27 HG22 THR 27 11.546 2.348 -10.617 217 HG23 THR 27 HG23 THR 27 11.291 4.027 -11.092 218 H ARG 28 H ARG 28 10.652 -0.031 -11.526 219 HA ARG 28 HA ARG 28 11.021 -1.219 -8.878 220 HB2 ARG 28 HB2 ARG 28 12.193 -3.071 -10.035 221 HB3 ARG 28 HB3 ARG 28 10.517 -2.868 -10.512 222 HG2 ARG 28 HG2 ARG 28 11.211 -1.799 -12.578 223 HG3 ARG 28 HG3 ARG 28 12.905 -1.928 -12.089 224 HD2 ARG 28 HD2 ARG 28 12.770 -4.332 -12.098 225 HD3 ARG 28 HD3 ARG 28 11.040 -4.271 -12.428 226 HE ARG 28 HE ARG 28 12.625 -2.950 -14.431 227 HH11 ARG 28 HH12 ARG 28 11.378 -6.025 -13.331 228 HH12 ARG 28 HH11 ARG 28 11.413 -6.763 -14.900 229 HH21 ARG 28 HH22 ARG 28 12.664 -3.906 -16.521 230 HH22 ARG 28 HH21 ARG 28 12.162 -5.557 -16.719 231 H ASP 29 H ASP 29 12.353 -0.002 -7.818 232 HA ASP 29 HA ASP 29 15.075 -0.904 -8.378 233 HB2 ASP 29 HB2 ASP 29 14.355 1.894 -7.449 234 HB3 ASP 29 HB3 ASP 29 15.960 1.199 -7.267 235 H ARG 30 H ARG 30 15.102 -2.468 -6.790 236 HA ARG 30 HA ARG 30 14.312 -1.562 -4.116 237 HB2 ARG 30 HB2 ARG 30 13.324 -3.525 -4.103 238 HB3 ARG 30 HB3 ARG 30 14.220 -4.115 -5.498 239 HG2 ARG 30 HG2 ARG 30 14.787 -5.641 -3.875 240 HG3 ARG 30 HG3 ARG 30 16.122 -4.497 -3.751 241 HD2 ARG 30 HD2 ARG 30 15.272 -3.545 -1.791 242 HD3 ARG 30 HD3 ARG 30 13.664 -4.222 -2.055 243 HE ARG 30 HE ARG 30 15.928 -6.020 -1.526 244 HH11 ARG 30 HH12 ARG 30 12.887 -4.610 -0.558 245 HH12 ARG 30 HH11 ARG 30 12.562 -5.798 0.668 246 HH21 ARG 30 HH22 ARG 30 15.535 -7.592 0.093 247 HH22 ARG 30 HH21 ARG 30 14.090 -7.483 1.052 248 H SER 31 H SER 31 16.823 -1.595 -6.095 249 HA SER 31 HA SER 31 18.861 -1.706 -4.057 250 HB2 SER 31 HB2 SER 31 20.193 -0.640 -6.046 251 HB3 SER 31 HB3 SER 31 19.714 -2.336 -6.138 252 HG SER 31 HG SER 31 18.689 -0.101 -7.510 253 H ASP 32 H ASP 32 16.392 0.405 -4.757 254 HA ASP 32 HA ASP 32 17.968 2.795 -4.210 255 HB2 ASP 32 HB2 ASP 32 16.379 2.790 -6.141 256 HB3 ASP 32 HB3 ASP 32 15.061 2.459 -5.026 257 H GLN 33 H GLN 33 16.330 4.311 -2.829 258 HA GLN 33 HA GLN 33 15.985 2.780 -0.359 259 HB2 GLN 33 HB2 GLN 33 17.270 5.260 -1.068 260 HB3 GLN 33 HB3 GLN 33 16.220 5.436 0.342 261 HG2 GLN 33 HG2 GLN 33 17.404 3.609 1.442 262 HG3 GLN 33 HG3 GLN 33 18.420 3.401 0.017 263 HE21 GLN 33 HE21 GLN 33 19.163 4.026 2.768 264 HE22 GLN 33 HE22 GLN 33 20.037 5.515 2.700 265 H HIS 34 H HIS 34 13.942 3.672 -2.612 266 HA HIS 34 HA HIS 34 12.247 5.359 -0.921 267 HB2 HIS 34 HB2 HIS 34 12.423 5.017 -3.885 268 HB3 HIS 34 HB3 HIS 34 10.965 5.679 -3.156 269 HD1 HIS 34 HD1 HIS 34 11.032 8.145 -3.461 270 HD2 HIS 34 HD2 HIS 34 14.768 6.599 -2.476 271 HE1 HIS 34 HE1 HIS 34 12.552 10.131 -3.243 272 HE2 HIS 34 HE2 HIS 34 14.842 9.162 -2.815 273 H ILE 35 H ILE 35 12.384 2.098 -1.712 274 HA ILE 35 HA ILE 35 9.535 1.700 -2.065 275 HB ILE 35 HB ILE 35 10.170 -0.682 -2.151 276 HG12 ILE 35 HG12 ILE 35 13.030 0.214 -1.933 277 HG13 ILE 35 HG13 ILE 35 12.113 -0.187 -0.485 278 HG21 ILE 35 HG21 ILE 35 10.243 0.687 -4.176 279 HG22 ILE 35 HG22 ILE 35 11.905 1.151 -3.810 280 HG23 ILE 35 HG23 ILE 35 11.522 -0.528 -4.191 281 HD11 ILE 35 HD11 ILE 35 13.438 -2.051 -1.241 282 HD12 ILE 35 HD12 ILE 35 11.716 -2.411 -1.351 283 HD13 ILE 35 HD13 ILE 35 12.626 -2.012 -2.808 284 H GLN 36 H GLN 36 10.795 2.510 0.828 285 HA GLN 36 HA GLN 36 10.039 0.001 2.181 286 HB2 GLN 36 HB2 GLN 36 11.593 0.633 3.948 287 HB3 GLN 36 HB3 GLN 36 12.386 0.609 2.379 288 HG2 GLN 36 HG2 GLN 36 11.620 3.227 2.558 289 HG3 GLN 36 HG3 GLN 36 11.943 2.819 4.243 290 HE21 GLN 36 HE21 GLN 36 13.601 1.256 1.608 291 HE22 GLN 36 HE22 GLN 36 15.157 1.942 1.930 292 H LEU 37 H LEU 37 7.927 0.220 2.793 293 HA LEU 37 HA LEU 37 7.309 2.549 4.484 294 HB2 LEU 37 HB2 LEU 37 4.857 1.708 3.954 295 HB3 LEU 37 HB3 LEU 37 5.717 2.851 2.949 296 HG LEU 37 HG LEU 37 6.432 0.722 1.602 297 HD11 LEU 37 HD11 LEU 37 5.567 -0.913 3.182 298 HD12 LEU 37 HD12 LEU 37 3.941 -0.261 2.985 299 HD13 LEU 37 HD13 LEU 37 4.747 -1.044 1.627 300 HD21 LEU 37 HD21 LEU 37 4.428 0.939 0.215 301 HD22 LEU 37 HD22 LEU 37 3.623 1.817 1.517 302 HD23 LEU 37 HD23 LEU 37 5.039 2.512 0.726 303 H GLN 38 H GLN 38 6.381 2.287 6.439 304 HA GLN 38 HA GLN 38 6.826 -0.392 7.522 305 HB2 GLN 38 HB2 GLN 38 7.832 1.824 8.473 306 HB3 GLN 38 HB3 GLN 38 6.224 2.062 9.156 307 HG2 GLN 38 HG2 GLN 38 7.763 -0.461 9.635 308 HG3 GLN 38 HG3 GLN 38 8.016 0.975 10.620 309 HE21 GLN 38 HE21 GLN 38 5.221 1.776 10.509 310 HE22 GLN 38 HE22 GLN 38 4.376 0.700 11.562 311 H LEU 39 H LEU 39 5.097 -1.639 7.449 312 HA LEU 39 HA LEU 39 2.443 -0.413 7.751 313 HB2 LEU 39 HB2 LEU 39 3.550 -2.295 5.834 314 HB3 LEU 39 HB3 LEU 39 2.112 -2.940 6.604 315 HG LEU 39 HG LEU 39 1.585 -1.793 4.504 316 HD11 LEU 39 HD11 LEU 39 -0.191 -0.352 5.360 317 HD12 LEU 39 HD12 LEU 39 -0.080 -1.857 6.274 318 HD13 LEU 39 HD13 LEU 39 0.567 -0.364 6.953 319 HD21 LEU 39 HD21 LEU 39 2.652 0.663 5.893 320 HD22 LEU 39 HD22 LEU 39 3.387 -0.152 4.512 321 HD23 LEU 39 HD23 LEU 39 1.818 0.637 4.339 322 H SER 40 H SER 40 1.990 -0.650 9.849 323 HA SER 40 HA SER 40 2.252 -3.334 11.025 324 HB2 SER 40 HB2 SER 40 3.449 -1.508 12.191 325 HB3 SER 40 HB3 SER 40 1.925 -0.650 12.389 326 HG SER 40 HG SER 40 1.610 -1.779 14.112 327 H ALA 41 H ALA 41 0.464 -3.852 12.617 328 HA ALA 41 HA ALA 41 -2.111 -2.809 11.620 329 HB1 ALA 41 HB1 ALA 41 -3.114 -4.907 12.485 330 HB2 ALA 41 HB2 ALA 41 -1.875 -5.236 11.275 331 HB3 ALA 41 HB3 ALA 41 -1.518 -5.449 12.992 332 H GLU 42 H GLU 42 -2.615 -1.160 12.941 333 HA GLU 42 HA GLU 42 -1.480 -1.215 15.622 334 HB2 GLU 42 HB2 GLU 42 -2.635 1.100 14.065 335 HB3 GLU 42 HB3 GLU 42 -1.856 1.215 15.635 336 HG2 GLU 42 HG2 GLU 42 -0.527 0.247 13.111 337 HG3 GLU 42 HG3 GLU 42 -0.377 1.869 13.778 338 H SER 43 H SER 43 -4.645 -0.645 14.083 339 HA SER 43 HA SER 43 -5.801 -1.015 16.764 340 HB2 SER 43 HB2 SER 43 -7.075 0.131 14.270 341 HB3 SER 43 HB3 SER 43 -7.854 -0.021 15.842 342 HG SER 43 HG SER 43 -6.648 2.043 15.092 343 H VAL 44 H VAL 44 -8.112 -2.198 16.471 344 HA VAL 44 HA VAL 44 -7.380 -4.812 15.754 345 HB VAL 44 HB VAL 44 -9.042 -4.475 17.447 346 HG11 VAL 44 HG11 VAL 44 -10.793 -3.284 15.302 347 HG12 VAL 44 HG12 VAL 44 -11.297 -3.646 16.954 348 HG13 VAL 44 HG13 VAL 44 -10.062 -2.420 16.655 349 HG21 VAL 44 HG21 VAL 44 -10.253 -5.801 15.032 350 HG22 VAL 44 HG22 VAL 44 -9.207 -6.557 16.235 351 HG23 VAL 44 HG23 VAL 44 -10.813 -5.993 16.694 352 H GLY 45 H GLY 45 -7.024 -5.534 13.781 353 HA2 GLY 45 HA3 GLY 45 -7.726 -6.402 11.745 354 HA3 GLY 45 HA2 GLY 45 -9.164 -5.401 11.843 355 H GLU 46 H GLU 46 -7.203 -3.058 12.431 356 HA GLU 46 HA GLU 46 -6.941 -2.506 9.611 357 HB2 GLU 46 HB2 GLU 46 -6.866 -0.061 10.487 358 HB3 GLU 46 HB3 GLU 46 -8.394 -0.910 10.332 359 HG2 GLU 46 HG2 GLU 46 -7.900 -1.574 12.819 360 HG3 GLU 46 HG3 GLU 46 -6.875 -0.140 12.762 361 H VAL 47 H VAL 47 -5.266 -1.438 8.691 362 HA VAL 47 HA VAL 47 -2.731 -1.665 10.167 363 HB VAL 47 HB VAL 47 -1.596 -1.956 8.024 364 HG11 VAL 47 HG11 VAL 47 -2.239 -3.928 9.280 365 HG12 VAL 47 HG12 VAL 47 -3.827 -3.929 8.510 366 HG13 VAL 47 HG13 VAL 47 -2.380 -4.243 7.550 367 HG21 VAL 47 HG21 VAL 47 -2.889 -2.442 5.985 368 HG22 VAL 47 HG22 VAL 47 -4.374 -2.024 6.839 369 HG23 VAL 47 HG23 VAL 47 -3.142 -0.792 6.555 370 H TYR 48 H TYR 48 -1.177 -0.076 9.940 371 HA TYR 48 HA TYR 48 -2.231 2.489 8.919 372 HB2 TYR 48 HB2 TYR 48 -1.984 2.145 11.489 373 HB3 TYR 48 HB3 TYR 48 -0.258 2.292 11.187 374 HD1 TYR 48 HD1 TYR 48 0.705 4.451 10.510 375 HD2 TYR 48 HD2 TYR 48 -3.458 4.050 11.293 376 HE1 TYR 48 HE1 TYR 48 0.494 6.905 10.638 377 HE2 TYR 48 HE2 TYR 48 -3.675 6.495 11.423 378 HH TYR 48 HH TYR 48 -2.274 8.440 11.885 379 H ILE 49 H ILE 49 -0.941 3.593 7.569 380 HA ILE 49 HA ILE 49 1.477 2.211 6.684 381 HB ILE 49 HB ILE 49 -0.176 4.311 5.275 382 HG12 ILE 49 HG12 ILE 49 0.048 1.317 4.871 383 HG13 ILE 49 HG13 ILE 49 -1.361 2.190 5.465 384 HG21 ILE 49 HG21 ILE 49 1.179 3.770 3.300 385 HG22 ILE 49 HG22 ILE 49 2.165 4.421 4.610 386 HG23 ILE 49 HG23 ILE 49 2.168 2.688 4.282 387 HD11 ILE 49 HD11 ILE 49 -0.171 2.423 2.713 388 HD12 ILE 49 HD12 ILE 49 -1.634 1.538 3.146 389 HD13 ILE 49 HD13 ILE 49 -1.587 3.294 3.305 390 H LYS 50 H LYS 50 3.332 2.964 7.326 391 HA LYS 50 HA LYS 50 3.594 5.841 7.873 392 HB2 LYS 50 HB2 LYS 50 4.901 3.550 9.360 393 HB3 LYS 50 HB3 LYS 50 5.151 5.259 9.690 394 HG2 LYS 50 HG2 LYS 50 2.825 5.500 10.340 395 HG3 LYS 50 HG3 LYS 50 2.526 3.805 9.950 396 HD2 LYS 50 HD2 LYS 50 2.809 4.073 12.343 397 HD3 LYS 50 HD3 LYS 50 4.153 3.144 11.676 398 HE2 LYS 50 HE2 LYS 50 5.534 5.166 11.664 399 HE3 LYS 50 HE3 LYS 50 4.191 6.085 12.341 400 HZ1 LYS 50 HZ1 LYS 50 5.795 5.426 14.029 401 HZ2 LYS 50 HZ2 LYS 50 5.541 3.790 13.665 402 HZ3 LYS 50 HZ3 LYS 50 4.284 4.716 14.322 403 H SER 51 H SER 51 5.569 6.800 7.336 404 HA SER 51 HA SER 51 7.192 5.471 5.384 405 HB2 SER 51 HB2 SER 51 7.625 8.129 6.773 406 HB3 SER 51 HB3 SER 51 8.363 7.595 5.265 407 HG SER 51 HG SER 51 5.565 7.724 5.480 408 H THR 52 H THR 52 8.989 4.357 5.807 409 HA THR 52 HA THR 52 10.261 4.573 8.372 410 HB THR 52 HB THR 52 11.312 3.296 5.833 411 HG1 THR 52 HG1 THR 52 9.807 2.194 7.999 412 HG21 THR 52 HG21 THR 52 13.019 3.711 7.539 413 HG22 THR 52 HG22 THR 52 12.693 1.985 7.380 414 HG23 THR 52 HG23 THR 52 12.025 2.888 8.741 415 H GLU 53 H GLU 53 12.307 4.731 5.564 416 HA GLU 53 HA GLU 53 13.156 7.390 6.433 417 HB2 GLU 53 HB2 GLU 53 14.724 5.490 5.703 418 HB3 GLU 53 HB3 GLU 53 14.194 5.832 4.064 419 HG2 GLU 53 HG2 GLU 53 16.199 6.985 4.290 420 HG3 GLU 53 HG3 GLU 53 14.957 8.221 4.492 421 H THR 54 H THR 54 12.060 5.836 3.432 422 HA THR 54 HA THR 54 10.926 8.383 2.494 423 HB THR 54 HB THR 54 11.151 7.590 0.247 424 HG1 THR 54 HG1 THR 54 10.799 5.409 0.543 425 HG21 THR 54 HG21 THR 54 13.593 7.421 0.063 426 HG22 THR 54 HG22 THR 54 13.704 7.100 1.794 427 HG23 THR 54 HG23 THR 54 13.133 8.668 1.222 428 H GLY 55 H GLY 55 9.241 6.462 4.221 429 HA2 GLY 55 HA3 GLY 55 8.732 4.430 2.223 430 HA3 GLY 55 HA2 GLY 55 8.340 4.318 3.918 431 H GLN 56 H GLN 56 6.635 6.824 3.799 432 HA GLN 56 HA GLN 56 5.142 7.253 1.611 433 HB2 GLN 56 HB2 GLN 56 4.522 4.874 1.510 434 HB3 GLN 56 HB3 GLN 56 3.794 4.999 3.105 435 HG2 GLN 56 HG2 GLN 56 2.190 5.053 1.219 436 HG3 GLN 56 HG3 GLN 56 2.099 6.432 2.312 437 HE21 GLN 56 HE21 GLN 56 1.093 7.668 0.731 438 HE22 GLN 56 HE22 GLN 56 1.970 8.342 -0.599 439 H TYR 57 H TYR 57 3.989 8.935 1.977 440 HA TYR 57 HA TYR 57 2.914 9.401 4.659 441 HB2 TYR 57 HB2 TYR 57 3.594 11.322 2.417 442 HB3 TYR 57 HB3 TYR 57 2.918 11.781 3.970 443 HD1 TYR 57 HD2 TYR 57 5.911 10.506 2.260 444 HD2 TYR 57 HD1 TYR 57 4.297 11.898 5.942 445 HE1 TYR 57 HE2 TYR 57 8.183 10.696 3.179 446 HE2 TYR 57 HE1 TYR 57 6.563 12.091 6.871 447 HH TYR 57 HH TYR 57 8.801 11.081 6.470 448 H LEU 58 H LEU 58 1.328 7.772 3.755 449 HA LEU 58 HA LEU 58 -0.149 8.557 1.428 450 HB2 LEU 58 HB2 LEU 58 0.436 6.154 2.631 451 HB3 LEU 58 HB3 LEU 58 -1.288 6.336 2.918 452 HG LEU 58 HG LEU 58 -0.133 6.740 0.180 453 HD11 LEU 58 HD11 LEU 58 -1.033 4.117 1.387 454 HD12 LEU 58 HD12 LEU 58 -0.650 4.386 -0.313 455 HD13 LEU 58 HD13 LEU 58 0.612 4.532 0.910 456 HD21 LEU 58 HD21 LEU 58 -2.397 6.058 -0.512 457 HD22 LEU 58 HD22 LEU 58 -2.856 5.906 1.184 458 HD23 LEU 58 HD23 LEU 58 -2.418 7.482 0.527 459 H ALA 59 H ALA 59 -2.148 9.110 1.161 460 HA ALA 59 HA ALA 59 -3.971 9.429 3.403 461 HB1 ALA 59 HB1 ALA 59 -3.294 11.614 1.424 462 HB2 ALA 59 HB2 ALA 59 -4.597 11.684 2.613 463 HB3 ALA 59 HB3 ALA 59 -2.916 11.611 3.146 464 H MET 60 H MET 60 -5.862 8.467 2.834 465 HA MET 60 HA MET 60 -6.431 7.939 0.048 466 HB2 MET 60 HB2 MET 60 -8.233 6.564 0.880 467 HB3 MET 60 HB3 MET 60 -6.813 6.267 1.874 468 HG2 MET 60 HG2 MET 60 -7.740 7.811 3.574 469 HG3 MET 60 HG3 MET 60 -9.214 7.914 2.613 470 HE1 MET 60 HE1 MET 60 -10.104 7.184 5.246 471 HE2 MET 60 HE2 MET 60 -9.758 5.590 5.914 472 HE3 MET 60 HE3 MET 60 -8.467 6.784 5.767 473 H ASP 61 H ASP 61 -7.645 9.259 -1.211 474 HA ASP 61 HA ASP 61 -9.180 11.333 0.200 475 HB2 ASP 61 HB2 ASP 61 -7.597 12.571 -0.819 476 HB3 ASP 61 HB3 ASP 61 -7.463 11.526 -2.229 477 H THR 62 H THR 62 -11.161 11.236 0.055 478 HA THR 62 HA THR 62 -13.297 10.874 -0.602 479 HB THR 62 HB THR 62 -12.144 10.264 -3.325 480 HG1 THR 62 HG1 THR 62 -11.803 12.458 -2.272 481 HG21 THR 62 HG21 THR 62 -14.395 10.856 -4.123 482 HG22 THR 62 HG22 THR 62 -14.915 11.054 -2.450 483 HG23 THR 62 HG23 THR 62 -14.427 9.467 -3.038 484 H ASP 63 H ASP 63 -10.745 8.748 -1.058 485 HA ASP 63 HA ASP 63 -10.462 6.705 -0.068 486 HB2 ASP 63 HB2 ASP 63 -12.741 6.975 1.024 487 HB3 ASP 63 HB3 ASP 63 -13.415 6.175 -0.394 488 H GLY 64 H GLY 64 -11.172 7.858 -2.832 489 HA2 GLY 64 HA3 GLY 64 -11.555 5.354 -4.317 490 HA3 GLY 64 HA2 GLY 64 -11.727 6.979 -4.972 491 H LEU 65 H LEU 65 -9.471 8.228 -4.386 492 HA LEU 65 HA LEU 65 -7.419 6.484 -5.585 493 HB2 LEU 65 HB2 LEU 65 -7.533 9.496 -5.810 494 HB3 LEU 65 HB3 LEU 65 -6.313 8.429 -6.493 495 HG LEU 65 HG LEU 65 -8.050 7.451 -7.979 496 HD11 LEU 65 HD11 LEU 65 -9.787 9.689 -6.949 497 HD12 LEU 65 HD12 LEU 65 -10.156 8.633 -8.312 498 HD13 LEU 65 HD13 LEU 65 -10.050 7.965 -6.683 499 HD21 LEU 65 HD21 LEU 65 -7.671 10.433 -8.176 500 HD22 LEU 65 HD22 LEU 65 -6.554 9.200 -8.758 501 HD23 LEU 65 HD23 LEU 65 -8.148 9.364 -9.495 502 H LEU 66 H LEU 66 -5.523 6.301 -4.572 503 HA LEU 66 HA LEU 66 -5.337 7.764 -2.042 504 HB2 LEU 66 HB2 LEU 66 -3.775 5.654 -1.556 505 HB3 LEU 66 HB3 LEU 66 -5.480 5.709 -1.186 506 HG LEU 66 HG LEU 66 -4.736 3.606 -2.175 507 HD11 LEU 66 HD11 LEU 66 -7.046 4.023 -2.386 508 HD12 LEU 66 HD12 LEU 66 -6.784 5.111 -3.749 509 HD13 LEU 66 HD13 LEU 66 -6.492 3.383 -3.937 510 HD21 LEU 66 HD21 LEU 66 -3.048 4.095 -3.674 511 HD22 LEU 66 HD22 LEU 66 -4.388 3.543 -4.679 512 HD23 LEU 66 HD23 LEU 66 -4.034 5.266 -4.542 513 H TYR 67 H TYR 67 -3.853 9.202 -1.974 514 HA TYR 67 HA TYR 67 -1.298 8.669 -3.302 515 HB2 TYR 67 HB2 TYR 67 -1.151 10.767 -4.352 516 HB3 TYR 67 HB3 TYR 67 -2.803 10.260 -4.672 517 HD1 TYR 67 HD1 TYR 67 -4.682 11.311 -3.344 518 HD2 TYR 67 HD2 TYR 67 -0.676 12.737 -3.155 519 HE1 TYR 67 HE1 TYR 67 -5.486 13.444 -2.414 520 HE2 TYR 67 HE2 TYR 67 -1.468 14.865 -2.225 521 HH TYR 67 HH TYR 67 -4.697 15.321 -1.130 522 H GLY 68 H GLY 68 0.488 9.702 -2.270 523 HA2 GLY 68 HA3 GLY 68 -0.004 11.264 0.092 524 HA3 GLY 68 HA2 GLY 68 0.526 9.620 0.442 525 H SER 69 H SER 69 1.663 12.547 0.444 526 HA SER 69 HA SER 69 4.305 11.548 -0.196 527 HB2 SER 69 HB2 SER 69 3.205 14.000 -1.541 528 HB3 SER 69 HB3 SER 69 4.904 13.517 -1.576 529 HG SER 69 HG SER 69 3.725 11.376 -2.279 530 H GLN 70 H GLN 70 2.492 14.370 0.943 531 HA GLN 70 HA GLN 70 4.885 15.516 2.105 532 HB2 GLN 70 HB2 GLN 70 3.213 16.943 1.040 533 HB3 GLN 70 HB3 GLN 70 2.002 16.407 2.194 534 HG2 GLN 70 HG2 GLN 70 3.447 17.383 4.001 535 HG3 GLN 70 HG3 GLN 70 4.426 18.098 2.720 536 HE21 GLN 70 HE21 GLN 70 3.509 19.694 1.394 537 HE22 GLN 70 HE22 GLN 70 2.116 20.586 1.901 538 H THR 71 H THR 71 1.824 14.240 3.321 539 HA THR 71 HA THR 71 3.034 13.916 5.967 540 HB THR 71 HB THR 71 0.683 14.544 6.836 541 HG1 THR 71 HG1 THR 71 -0.205 14.709 4.675 542 HG21 THR 71 HG21 THR 71 2.692 15.851 7.309 543 HG22 THR 71 HG22 THR 71 1.312 16.909 7.015 544 HG23 THR 71 HG23 THR 71 2.527 16.671 5.757 545 HA PRO 72 HA PRO 72 0.250 10.344 5.749 546 HB2 PRO 72 HB2 PRO 72 1.287 8.952 7.788 547 HB3 PRO 72 HB3 PRO 72 2.189 9.171 6.281 548 HG2 PRO 72 HG2 PRO 72 2.727 10.312 8.928 549 HG3 PRO 72 HG3 PRO 72 3.780 10.253 7.506 550 HD2 PRO 72 HD2 PRO 72 2.053 12.443 8.450 551 HD3 PRO 72 HD3 PRO 72 3.376 12.489 7.262 552 H ASN 73 H ASN 73 -1.769 10.894 6.403 553 HA ASN 73 HA ASN 73 -2.187 11.943 9.128 554 HB2 ASN 73 HB2 ASN 73 -2.935 13.326 7.113 555 HB3 ASN 73 HB3 ASN 73 -4.089 12.045 6.763 556 HD21 ASN 73 HD21 ASN 73 -3.180 14.533 9.048 557 HD22 ASN 73 HD22 ASN 73 -4.731 14.669 9.808 558 H GLU 74 H GLU 74 -4.656 11.016 9.888 559 HA GLU 74 HA GLU 74 -4.372 8.263 8.910 560 HB2 GLU 74 HB2 GLU 74 -4.679 8.400 11.287 561 HB3 GLU 74 HB3 GLU 74 -5.982 9.562 11.118 562 HG2 GLU 74 HG2 GLU 74 -7.305 7.723 10.018 563 HG3 GLU 74 HG3 GLU 74 -6.037 6.621 10.563 564 H GLU 75 H GLU 75 -4.832 8.936 6.993 565 HA GLU 75 HA GLU 75 -7.523 8.085 6.362 566 HB2 GLU 75 HB2 GLU 75 -5.560 9.775 4.815 567 HB3 GLU 75 HB3 GLU 75 -6.979 9.034 4.074 568 HG2 GLU 75 HG2 GLU 75 -7.102 10.992 6.354 569 HG3 GLU 75 HG3 GLU 75 -7.238 11.450 4.655 570 H CYS 76 H CYS 76 -4.097 7.848 6.527 571 HA CYS 76 HA CYS 76 -3.495 6.284 4.348 572 HB2 CYS 76 HB2 CYS 76 -1.464 5.658 5.544 573 HB3 CYS 76 HB3 CYS 76 -1.811 7.373 5.731 574 HG CYS 76 HG CYS 76 -0.842 6.647 8.161 575 H LEU 77 H LEU 77 -5.382 5.403 7.050 576 HA LEU 77 HA LEU 77 -4.375 2.692 7.078 577 HB2 LEU 77 HB2 LEU 77 -6.014 2.352 8.983 578 HB3 LEU 77 HB3 LEU 77 -4.602 3.339 9.262 579 HG LEU 77 HG LEU 77 -6.019 5.367 9.090 580 HD11 LEU 77 HD11 LEU 77 -8.445 5.151 9.194 581 HD12 LEU 77 HD12 LEU 77 -7.816 4.491 7.684 582 HD13 LEU 77 HD13 LEU 77 -8.307 3.405 8.986 583 HD21 LEU 77 HD21 LEU 77 -7.120 5.042 11.248 584 HD22 LEU 77 HD22 LEU 77 -6.901 3.298 11.094 585 HD23 LEU 77 HD23 LEU 77 -5.495 4.354 11.236 586 H PHE 78 H PHE 78 -5.339 0.956 6.529 587 HA PHE 78 HA PHE 78 -8.045 1.136 5.469 588 HB2 PHE 78 HB2 PHE 78 -5.866 -0.463 4.112 589 HB3 PHE 78 HB3 PHE 78 -7.470 -0.101 3.505 590 HD1 PHE 78 HD2 PHE 78 -7.968 2.520 3.348 591 HD2 PHE 78 HD1 PHE 78 -4.110 0.725 3.213 592 HE1 PHE 78 HE2 PHE 78 -7.092 4.497 2.177 593 HE2 PHE 78 HE1 PHE 78 -3.228 2.702 2.045 594 HZ PHE 78 HZ PHE 78 -4.716 4.571 1.494 595 H LEU 79 H LEU 79 -8.997 -1.133 5.249 596 HA LEU 79 HA LEU 79 -8.367 -2.554 7.716 597 HB2 LEU 79 HB2 LEU 79 -10.721 -1.884 7.078 598 HB3 LEU 79 HB3 LEU 79 -10.631 -3.066 5.787 599 HG LEU 79 HG LEU 79 -10.320 -4.855 7.463 600 HD11 LEU 79 HD11 LEU 79 -9.281 -3.528 9.223 601 HD12 LEU 79 HD12 LEU 79 -10.792 -2.651 9.463 602 HD13 LEU 79 HD13 LEU 79 -10.708 -4.376 9.823 603 HD21 LEU 79 HD21 LEU 79 -12.553 -4.322 6.637 604 HD22 LEU 79 HD22 LEU 79 -12.605 -4.837 8.323 605 HD23 LEU 79 HD23 LEU 79 -12.749 -3.126 7.917 606 H GLU 80 H GLU 80 -7.590 -4.643 7.771 607 HA GLU 80 HA GLU 80 -6.391 -5.459 5.231 608 HB2 GLU 80 HB2 GLU 80 -4.830 -5.085 7.055 609 HB3 GLU 80 HB3 GLU 80 -5.712 -6.201 8.087 610 HG2 GLU 80 HG2 GLU 80 -5.104 -8.053 6.625 611 HG3 GLU 80 HG3 GLU 80 -4.254 -6.941 5.555 612 H ARG 81 H ARG 81 -7.093 -7.148 4.159 613 HA ARG 81 HA ARG 81 -8.500 -9.300 5.577 614 HB2 ARG 81 HB2 ARG 81 -10.122 -7.914 4.257 615 HB3 ARG 81 HB3 ARG 81 -9.197 -8.285 2.806 616 HG2 ARG 81 HG2 ARG 81 -9.605 -10.767 3.588 617 HG3 ARG 81 HG3 ARG 81 -10.972 -10.036 4.427 618 HD2 ARG 81 HD2 ARG 81 -11.758 -10.774 2.310 619 HD3 ARG 81 HD3 ARG 81 -11.647 -9.015 2.238 620 HE ARG 81 HE ARG 81 -9.303 -9.668 1.200 621 HH11 ARG 81 HH12 ARG 81 -12.400 -11.203 0.634 622 HH12 ARG 81 HH11 ARG 81 -12.056 -11.565 -1.036 623 HH21 ARG 81 HH22 ARG 81 -8.829 -10.196 -0.983 624 HH22 ARG 81 HH21 ARG 81 -10.038 -10.999 -1.945 625 H LEU 82 H LEU 82 -7.133 -10.951 5.452 626 HA LEU 82 HA LEU 82 -5.358 -11.075 3.137 627 HB2 LEU 82 HB2 LEU 82 -3.950 -12.562 4.573 628 HB3 LEU 82 HB3 LEU 82 -4.094 -10.908 5.125 629 HG LEU 82 HG LEU 82 -6.031 -11.962 6.615 630 HD11 LEU 82 HD11 LEU 82 -5.401 -14.181 7.420 631 HD12 LEU 82 HD12 LEU 82 -5.826 -14.211 5.709 632 HD13 LEU 82 HD13 LEU 82 -4.133 -14.267 6.197 633 HD21 LEU 82 HD21 LEU 82 -3.088 -12.164 7.231 634 HD22 LEU 82 HD22 LEU 82 -4.101 -10.735 7.438 635 HD23 LEU 82 HD23 LEU 82 -4.392 -12.172 8.418 636 H GLU 83 H GLU 83 -5.639 -12.577 1.661 637 HA GLU 83 HA GLU 83 -7.178 -14.967 2.261 638 HB2 GLU 83 HB2 GLU 83 -7.172 -13.723 -0.011 639 HB3 GLU 83 HB3 GLU 83 -5.595 -14.460 -0.262 640 HG2 GLU 83 HG2 GLU 83 -6.548 -16.664 -0.116 641 HG3 GLU 83 HG3 GLU 83 -8.121 -15.990 0.297 642 H GLU 84 H GLU 84 -6.116 -17.124 2.144 643 HA GLU 84 HA GLU 84 -3.666 -16.712 3.656 644 HB2 GLU 84 HB2 GLU 84 -5.482 -19.113 3.476 645 HB3 GLU 84 HB3 GLU 84 -4.065 -18.995 4.515 646 HG2 GLU 84 HG2 GLU 84 -5.099 -17.023 5.612 647 HG3 GLU 84 HG3 GLU 84 -6.547 -17.297 4.647 648 H ASN 85 H ASN 85 -1.812 -16.991 2.863 649 HA ASN 85 HA ASN 85 -0.020 -17.823 1.808 650 HB2 ASN 85 HB2 ASN 85 -1.214 -20.052 2.661 651 HB3 ASN 85 HB3 ASN 85 -1.383 -20.322 0.930 652 HD21 ASN 85 HD21 ASN 85 1.135 -18.940 0.305 653 HD22 ASN 85 HD22 ASN 85 2.408 -20.007 0.798 654 H HIS 86 H HIS 86 -2.418 -16.680 0.501 655 HA HIS 86 HA HIS 86 -1.530 -17.043 -2.234 656 HB2 HIS 86 HB2 HIS 86 -4.186 -16.334 -1.089 657 HB3 HIS 86 HB3 HIS 86 -3.760 -15.707 -2.676 658 HD1 HIS 86 HD1 HIS 86 -3.730 -17.342 -4.633 659 HD2 HIS 86 HD2 HIS 86 -4.605 -19.125 -0.976 660 HE1 HIS 86 HE1 HIS 86 -4.566 -19.644 -5.183 661 HE2 HIS 86 HE2 HIS 86 -5.329 -20.595 -2.983 662 H TYR 87 H TYR 87 -3.079 -14.469 -0.370 663 HA TYR 87 HA TYR 87 -1.039 -12.555 -0.877 664 HB2 TYR 87 HB2 TYR 87 -2.268 -11.105 -2.458 665 HB3 TYR 87 HB3 TYR 87 -1.856 -12.660 -3.170 666 HD1 TYR 87 HD1 TYR 87 -4.583 -10.534 -1.950 667 HD2 TYR 87 HD2 TYR 87 -3.584 -14.258 -3.748 668 HE1 TYR 87 HE1 TYR 87 -6.938 -10.859 -2.570 669 HE2 TYR 87 HE2 TYR 87 -5.937 -14.592 -4.375 670 HH TYR 87 HH TYR 87 -8.172 -12.185 -4.433 671 H ASN 88 H ASN 88 -1.629 -10.391 -0.136 672 HA ASN 88 HA ASN 88 -3.756 -10.445 1.902 673 HB2 ASN 88 HB2 ASN 88 -1.340 -9.606 2.329 674 HB3 ASN 88 HB3 ASN 88 -1.822 -8.195 1.396 675 HD21 ASN 88 HD21 ASN 88 -2.120 -9.873 4.385 676 HD22 ASN 88 HD22 ASN 88 -3.018 -8.652 5.214 677 H THR 89 H THR 89 -5.338 -8.837 1.955 678 HA THR 89 HA THR 89 -5.680 -7.267 -0.509 679 HB THR 89 HB THR 89 -7.954 -8.484 1.075 680 HG1 THR 89 HG1 THR 89 -6.274 -9.626 -0.768 681 HG21 THR 89 HG21 THR 89 -8.541 -6.526 -0.272 682 HG22 THR 89 HG22 THR 89 -9.242 -7.985 -0.977 683 HG23 THR 89 HG23 THR 89 -7.796 -7.265 -1.692 684 H TYR 90 H TYR 90 -6.998 -5.273 -0.120 685 HA TYR 90 HA TYR 90 -7.147 -4.525 2.693 686 HB2 TYR 90 HB2 TYR 90 -5.580 -3.057 0.590 687 HB3 TYR 90 HB3 TYR 90 -6.199 -2.229 2.016 688 HD1 TYR 90 HD1 TYR 90 -5.689 -3.617 4.283 689 HD2 TYR 90 HD2 TYR 90 -3.383 -3.764 0.713 690 HE1 TYR 90 HE1 TYR 90 -3.745 -4.373 5.578 691 HE2 TYR 90 HE2 TYR 90 -1.428 -4.522 2.002 692 HH TYR 90 HH TYR 90 -1.668 -5.655 5.175 693 H ILE 91 H ILE 91 -8.850 -3.384 3.239 694 HA ILE 91 HA ILE 91 -10.691 -2.367 1.176 695 HB ILE 91 HB ILE 91 -11.340 -2.307 4.051 696 HG12 ILE 91 HG12 ILE 91 -11.110 -4.866 2.483 697 HG13 ILE 91 HG13 ILE 91 -10.231 -4.396 3.934 698 HG21 ILE 91 HG21 ILE 91 -12.874 -3.154 1.594 699 HG22 ILE 91 HG22 ILE 91 -13.549 -3.010 3.217 700 HG23 ILE 91 HG23 ILE 91 -12.955 -1.576 2.379 701 HD11 ILE 91 HD11 ILE 91 -11.985 -6.028 4.409 702 HD12 ILE 91 HD12 ILE 91 -12.278 -4.495 5.230 703 HD13 ILE 91 HD13 ILE 91 -13.191 -4.907 3.778 704 H SER 92 H SER 92 -11.140 -0.227 1.110 705 HA SER 92 HA SER 92 -9.227 1.443 2.504 706 HB2 SER 92 HB2 SER 92 -10.074 1.573 -0.038 707 HB3 SER 92 HB3 SER 92 -11.325 2.574 0.702 708 HG SER 92 HG SER 92 -9.909 4.082 1.136 709 H LYS 93 H LYS 93 -9.818 1.693 4.544 710 HA LYS 93 HA LYS 93 -12.424 0.906 5.261 711 HB2 LYS 93 HB2 LYS 93 -10.167 0.655 6.549 712 HB3 LYS 93 HB3 LYS 93 -10.590 2.226 7.221 713 HG2 LYS 93 HG2 LYS 93 -12.897 1.023 7.652 714 HG3 LYS 93 HG3 LYS 93 -11.876 -0.416 7.606 715 HD2 LYS 93 HD2 LYS 93 -10.483 0.479 9.372 716 HD3 LYS 93 HD3 LYS 93 -11.415 1.979 9.382 717 HE2 LYS 93 HE2 LYS 93 -13.446 0.537 9.884 718 HE3 LYS 93 HE3 LYS 93 -12.306 -0.775 10.190 719 HZ1 LYS 93 HZ1 LYS 93 -12.950 0.389 12.219 720 HZ2 LYS 93 HZ2 LYS 93 -12.312 1.837 11.604 721 HZ3 LYS 93 HZ3 LYS 93 -11.284 0.524 11.923 722 H LYS 94 H LYS 94 -11.242 3.957 4.395 723 HA LYS 94 HA LYS 94 -13.062 5.585 5.766 724 HB2 LYS 94 HB2 LYS 94 -11.304 6.415 4.165 725 HB3 LYS 94 HB3 LYS 94 -12.305 5.873 2.833 726 HG2 LYS 94 HG2 LYS 94 -12.629 8.191 3.048 727 HG3 LYS 94 HG3 LYS 94 -14.090 7.413 3.671 728 HD2 LYS 94 HD2 LYS 94 -13.496 7.837 5.912 729 HD3 LYS 94 HD3 LYS 94 -11.832 8.235 5.479 730 HE2 LYS 94 HE2 LYS 94 -14.235 9.841 4.630 731 HE3 LYS 94 HE3 LYS 94 -13.258 10.202 6.053 732 HZ1 LYS 94 HZ1 LYS 94 -12.623 11.508 4.089 733 HZ2 LYS 94 HZ2 LYS 94 -12.210 10.088 3.273 734 HZ3 LYS 94 HZ3 LYS 94 -11.347 10.551 4.658 735 H HIS 95 H HIS 95 -13.533 4.280 2.463 736 HA HIS 95 HA HIS 95 -16.325 3.940 3.181 737 HB2 HIS 95 HB2 HIS 95 -15.108 3.902 0.429 738 HB3 HIS 95 HB3 HIS 95 -16.825 3.694 0.776 739 HD1 HIS 95 HD1 HIS 95 -16.652 5.976 3.087 740 HD2 HIS 95 HD2 HIS 95 -15.650 6.319 -0.928 741 HE1 HIS 95 HE1 HIS 95 -16.647 8.424 2.604 742 HE2 HIS 95 HE2 HIS 95 -15.890 8.632 0.214 743 H ALA 96 H ALA 96 -14.307 2.054 4.082 744 HA ALA 96 HA ALA 96 -14.373 -0.389 2.852 745 HB1 ALA 96 HB1 ALA 96 -14.734 0.078 5.809 746 HB2 ALA 96 HB2 ALA 96 -14.185 -1.415 5.050 747 HB3 ALA 96 HB3 ALA 96 -13.194 0.038 4.955 748 H GLU 97 H GLU 97 -16.899 1.019 4.880 749 HA GLU 97 HA GLU 97 -18.579 -1.250 4.908 750 HB2 GLU 97 HB2 GLU 97 -18.640 0.640 6.543 751 HB3 GLU 97 HB3 GLU 97 -19.361 1.642 5.293 752 HG2 GLU 97 HG2 GLU 97 -21.015 0.756 6.866 753 HG3 GLU 97 HG3 GLU 97 -21.303 0.221 5.211 754 H LYS 98 H LYS 98 -18.045 1.209 2.541 755 HA LYS 98 HA LYS 98 -20.597 0.777 1.218 756 HB2 LYS 98 HB2 LYS 98 -19.424 3.020 1.333 757 HB3 LYS 98 HB3 LYS 98 -18.231 2.369 0.219 758 HG2 LYS 98 HG2 LYS 98 -19.917 3.735 -0.914 759 HG3 LYS 98 HG3 LYS 98 -19.929 2.064 -1.478 760 HD2 LYS 98 HD2 LYS 98 -22.201 2.908 -1.162 761 HD3 LYS 98 HD3 LYS 98 -21.851 1.588 -0.046 762 HE2 LYS 98 HE2 LYS 98 -21.324 3.298 1.694 763 HE3 LYS 98 HE3 LYS 98 -21.874 4.539 0.570 764 HZ1 LYS 98 HZ1 LYS 98 -23.547 2.282 1.532 765 HZ2 LYS 98 HZ2 LYS 98 -24.059 3.579 0.568 766 HZ3 LYS 98 HZ3 LYS 98 -23.584 3.850 2.174 767 H ASN 99 H ASN 99 -17.822 -0.895 1.461 768 HA ASN 99 HA ASN 99 -17.277 -2.901 0.514 769 HB2 ASN 99 HB2 ASN 99 -19.745 -2.786 -0.381 770 HB3 ASN 99 HB3 ASN 99 -18.980 -2.374 -1.906 771 HD21 ASN 99 HD21 ASN 99 -16.675 -4.099 -1.516 772 HD22 ASN 99 HD22 ASN 99 -17.249 -5.726 -1.703 773 H TRP 100 H TRP 100 -16.359 -0.046 -0.143 774 HA TRP 100 HA TRP 100 -15.052 -0.352 -2.679 775 HB2 TRP 100 HB2 TRP 100 -15.460 1.746 -0.753 776 HB3 TRP 100 HB3 TRP 100 -13.766 1.655 -1.202 777 HD1 TRP 100 HD1 TRP 100 -15.894 0.633 -4.084 778 HE1 TRP 100 HE1 TRP 100 -16.032 2.567 -5.791 779 HE3 TRP 100 HE3 TRP 100 -13.988 4.351 -1.202 780 HZ2 TRP 100 HZ2 TRP 100 -15.384 5.337 -5.879 781 HZ3 TRP 100 HZ3 TRP 100 -13.758 6.607 -2.152 782 HH2 TRP 100 HH2 TRP 100 -14.434 7.099 -4.421 783 H PHE 101 H PHE 101 -13.011 -0.984 -3.073 784 HA PHE 101 HA PHE 101 -11.467 -2.006 -0.789 785 HB2 PHE 101 HB2 PHE 101 -11.215 -2.545 -3.760 786 HB3 PHE 101 HB3 PHE 101 -10.101 -3.161 -2.547 787 HD1 PHE 101 HD1 PHE 101 -13.610 -3.286 -3.704 788 HD2 PHE 101 HD2 PHE 101 -10.576 -5.122 -1.354 789 HE1 PHE 101 HE1 PHE 101 -15.025 -5.280 -3.442 790 HE2 PHE 101 HE2 PHE 101 -11.988 -7.120 -1.085 791 HZ PHE 101 HZ PHE 101 -14.214 -7.200 -2.141 792 H VAL 102 H VAL 102 -9.366 -1.186 -0.406 793 HA VAL 102 HA VAL 102 -8.593 1.040 -2.131 794 HB VAL 102 HB VAL 102 -8.257 1.471 0.238 795 HG11 VAL 102 HG11 VAL 102 -6.452 -0.938 0.227 796 HG12 VAL 102 HG12 VAL 102 -6.649 0.193 1.566 797 HG13 VAL 102 HG13 VAL 102 -8.009 -0.801 1.044 798 HG21 VAL 102 HG21 VAL 102 -5.646 1.046 -1.206 799 HG22 VAL 102 HG22 VAL 102 -6.679 2.472 -1.308 800 HG23 VAL 102 HG23 VAL 102 -5.878 2.070 0.212 801 H GLY 103 H GLY 103 -7.492 0.576 -3.889 802 HA2 GLY 103 HA3 GLY 103 -5.525 -1.599 -3.720 803 HA3 GLY 103 HA2 GLY 103 -6.628 -1.529 -5.076 804 H LEU 104 H LEU 104 -3.755 -1.370 -4.847 805 HA LEU 104 HA LEU 104 -3.435 1.046 -6.453 806 HB2 LEU 104 HB2 LEU 104 -1.063 1.208 -5.395 807 HB3 LEU 104 HB3 LEU 104 -2.440 1.944 -4.608 808 HG LEU 104 HG LEU 104 -2.558 0.022 -3.055 809 HD11 LEU 104 HD11 LEU 104 -0.007 -0.847 -4.409 810 HD12 LEU 104 HD12 LEU 104 -0.678 -1.538 -2.929 811 HD13 LEU 104 HD13 LEU 104 -1.552 -1.699 -4.452 812 HD21 LEU 104 HD21 LEU 104 -0.526 0.606 -1.801 813 HD22 LEU 104 HD22 LEU 104 0.100 1.431 -3.233 814 HD23 LEU 104 HD23 LEU 104 -1.359 2.027 -2.432 815 H LYS 105 H LYS 105 -2.028 0.827 -8.212 816 HA LYS 105 HA LYS 105 -1.079 -1.935 -8.513 817 HB2 LYS 105 HB2 LYS 105 -2.442 -1.088 -10.366 818 HB3 LYS 105 HB3 LYS 105 -1.313 0.243 -10.587 819 HG2 LYS 105 HG2 LYS 105 -0.921 -1.458 -12.248 820 HG3 LYS 105 HG3 LYS 105 0.453 -1.369 -11.145 821 HD2 LYS 105 HD2 LYS 105 0.135 -3.645 -11.305 822 HD3 LYS 105 HD3 LYS 105 -0.816 -3.258 -9.869 823 HE2 LYS 105 HE2 LYS 105 -2.130 -4.709 -11.219 824 HE3 LYS 105 HE3 LYS 105 -2.823 -3.093 -11.360 825 HZ1 LYS 105 HZ1 LYS 105 -2.695 -4.135 -13.514 826 HZ2 LYS 105 HZ2 LYS 105 -1.034 -4.418 -13.330 827 HZ3 LYS 105 HZ3 LYS 105 -1.613 -2.831 -13.465 828 H LYS 106 H LYS 106 0.784 -2.159 -7.523 829 HA LYS 106 HA LYS 106 2.734 -0.137 -7.485 830 HB2 LYS 106 HB2 LYS 106 3.878 -1.513 -6.112 831 HB3 LYS 106 HB3 LYS 106 2.414 -2.482 -6.130 832 HG2 LYS 106 HG2 LYS 106 4.800 -2.913 -7.920 833 HG3 LYS 106 HG3 LYS 106 4.460 -3.809 -6.442 834 HD2 LYS 106 HD2 LYS 106 2.524 -4.794 -7.385 835 HD3 LYS 106 HD3 LYS 106 2.557 -3.699 -8.767 836 HE2 LYS 106 HE2 LYS 106 3.399 -5.692 -9.625 837 HE3 LYS 106 HE3 LYS 106 4.845 -4.745 -9.281 838 HZ1 LYS 106 HZ1 LYS 106 3.723 -6.940 -7.629 839 HZ2 LYS 106 HZ2 LYS 106 5.029 -5.964 -7.164 840 HZ3 LYS 106 HZ3 LYS 106 5.163 -6.968 -8.519 841 H ASN 107 H ASN 107 1.858 -2.527 -9.836 842 HA ASN 107 HA ASN 107 4.429 -2.471 -11.110 843 HB2 ASN 107 HB2 ASN 107 2.576 -4.340 -11.160 844 HB3 ASN 107 HB3 ASN 107 1.959 -3.407 -12.520 845 HD21 ASN 107 HD21 ASN 107 3.057 -3.426 -14.446 846 HD22 ASN 107 HD22 ASN 107 4.406 -4.468 -14.757 847 H GLY 108 H GLY 108 1.712 -0.485 -11.014 848 HA2 GLY 108 HA3 GLY 108 2.827 1.070 -13.258 849 HA3 GLY 108 HA2 GLY 108 1.100 1.008 -12.929 850 H SER 109 H SER 109 0.365 1.724 -11.006 851 HA SER 109 HA SER 109 1.715 3.774 -9.538 852 HB2 SER 109 HB2 SER 109 -0.489 4.550 -11.489 853 HB3 SER 109 HB3 SER 109 0.322 5.628 -10.354 854 HG SER 109 HG SER 109 2.175 5.494 -11.543 855 H CYS 110 H CYS 110 -0.025 4.768 -8.012 856 HA CYS 110 HA CYS 110 -1.531 2.568 -7.023 857 HB2 CYS 110 HB2 CYS 110 -2.147 4.217 -5.239 858 HB3 CYS 110 HB3 CYS 110 -0.414 4.035 -5.489 859 HG CYS 110 HG CYS 110 -1.899 6.771 -5.205 860 H LYS 111 H LYS 111 -3.908 2.781 -6.479 861 HA LYS 111 HA LYS 111 -4.979 3.418 -9.118 862 HB2 LYS 111 HB2 LYS 111 -5.407 0.931 -7.488 863 HB3 LYS 111 HB3 LYS 111 -6.442 1.374 -8.837 864 HG2 LYS 111 HG2 LYS 111 -3.580 0.533 -8.855 865 HG3 LYS 111 HG3 LYS 111 -4.931 -0.098 -9.784 866 HD2 LYS 111 HD2 LYS 111 -3.724 2.641 -10.163 867 HD3 LYS 111 HD3 LYS 111 -3.311 1.226 -11.128 868 HE2 LYS 111 HE2 LYS 111 -6.143 2.194 -10.871 869 HE3 LYS 111 HE3 LYS 111 -5.042 2.868 -12.071 870 HZ1 LYS 111 HZ1 LYS 111 -5.667 -0.022 -11.850 871 HZ2 LYS 111 HZ2 LYS 111 -4.798 0.746 -13.081 872 HZ3 LYS 111 HZ3 LYS 111 -6.459 1.038 -12.905 873 H ARG 112 H ARG 112 -7.174 3.532 -9.342 874 HA ARG 112 HA ARG 112 -8.251 5.264 -7.292 875 HB2 ARG 112 HB2 ARG 112 -9.113 5.068 -10.173 876 HB3 ARG 112 HB3 ARG 112 -9.268 6.441 -9.080 877 HG2 ARG 112 HG2 ARG 112 -7.064 7.048 -9.296 878 HG3 ARG 112 HG3 ARG 112 -6.539 5.418 -9.731 879 HD2 ARG 112 HD2 ARG 112 -7.880 5.773 -11.887 880 HD3 ARG 112 HD3 ARG 112 -7.934 7.478 -11.436 881 HE ARG 112 HE ARG 112 -5.577 5.945 -12.256 882 HH11 ARG 112 HH12 ARG 112 -6.939 8.974 -11.173 883 HH12 ARG 112 HH11 ARG 112 -5.559 9.919 -11.637 884 HH21 ARG 112 HH22 ARG 112 -3.768 7.176 -12.895 885 HH22 ARG 112 HH21 ARG 112 -3.762 8.897 -12.651 886 H GLY 113 H GLY 113 -10.585 5.287 -7.008 887 HA2 GLY 113 HA3 GLY 113 -11.395 2.745 -6.149 888 HA3 GLY 113 HA2 GLY 113 -12.352 4.208 -6.075 889 HA PRO 114 HA PRO 114 -14.793 2.960 -9.737 890 HB2 PRO 114 HB2 PRO 114 -13.363 3.354 -12.107 891 HB3 PRO 114 HB3 PRO 114 -14.496 4.491 -11.369 892 HG2 PRO 114 HG2 PRO 114 -11.518 4.399 -11.201 893 HG3 PRO 114 HG3 PRO 114 -12.596 5.804 -11.307 894 HD2 PRO 114 HD2 PRO 114 -11.470 5.126 -8.992 895 HD3 PRO 114 HD3 PRO 114 -13.153 5.697 -9.047 896 H ARG 115 H ARG 115 -11.534 1.779 -9.478 897 HA ARG 115 HA ARG 115 -12.395 -0.739 -10.716 898 HB2 ARG 115 HB2 ARG 115 -10.079 0.924 -11.355 899 HB3 ARG 115 HB3 ARG 115 -9.646 -0.740 -10.995 900 HG2 ARG 115 HG2 ARG 115 -9.978 -0.455 -13.365 901 HG3 ARG 115 HG3 ARG 115 -11.226 -1.511 -12.703 902 HD2 ARG 115 HD2 ARG 115 -12.208 0.029 -14.280 903 HD3 ARG 115 HD3 ARG 115 -12.780 0.396 -12.656 904 HE ARG 115 HE ARG 115 -10.666 2.059 -12.960 905 HH11 ARG 115 HH12 ARG 115 -13.512 1.414 -14.884 906 HH12 ARG 115 HH11 ARG 115 -13.602 3.031 -15.529 907 HH21 ARG 115 HH22 ARG 115 -10.796 4.211 -13.790 908 HH22 ARG 115 HH21 ARG 115 -12.069 4.616 -14.903 909 H THR 116 H THR 116 -11.860 0.550 -7.842 910 HA THR 116 HA THR 116 -10.085 -1.481 -6.799 911 HB THR 116 HB THR 116 -10.497 -0.397 -4.617 912 HG1 THR 116 HG1 THR 116 -11.710 1.400 -4.479 913 HG21 THR 116 HG21 THR 116 -9.159 1.605 -5.111 914 HG22 THR 116 HG22 THR 116 -9.493 1.388 -6.830 915 HG23 THR 116 HG23 THR 116 -8.550 0.180 -5.954 916 H HIS 117 H HIS 117 -10.929 -3.289 -6.802 917 HA HIS 117 HA HIS 117 -12.969 -4.514 -5.444 918 HB2 HIS 117 HB2 HIS 117 -13.843 -3.530 -8.200 919 HB3 HIS 117 HB3 HIS 117 -14.611 -4.867 -7.365 920 HD1 HIS 117 HD1 HIS 117 -15.070 -1.432 -8.028 921 HD2 HIS 117 HD2 HIS 117 -15.694 -3.845 -4.695 922 HE1 HIS 117 HE1 HIS 117 -16.709 -0.182 -6.583 923 HE2 HIS 117 HE2 HIS 117 -17.136 -1.691 -4.606 924 H TYR 118 H TYR 118 -13.394 -6.736 -7.126 925 HA TYR 118 HA TYR 118 -10.706 -7.042 -8.198 926 HB2 TYR 118 HB2 TYR 118 -11.945 -8.998 -7.215 927 HB3 TYR 118 HB3 TYR 118 -13.083 -8.897 -8.555 928 HD1 TYR 118 HD1 TYR 118 -9.462 -9.349 -7.815 929 HD2 TYR 118 HD2 TYR 118 -12.657 -10.068 -10.531 930 HE1 TYR 118 HE1 TYR 118 -7.989 -10.786 -9.158 931 HE2 TYR 118 HE2 TYR 118 -11.194 -11.509 -11.880 932 HH TYR 118 HH TYR 118 -8.209 -12.658 -10.777 933 H GLY 119 H GLY 119 -10.928 -5.179 -9.375 934 HA2 GLY 119 HA3 GLY 119 -12.040 -5.573 -12.069 935 HA3 GLY 119 HA2 GLY 119 -11.634 -4.000 -11.360 936 H GLN 120 H GLN 120 -9.306 -5.135 -10.066 937 HA GLN 120 HA GLN 120 -7.429 -5.233 -12.322 938 HB2 GLN 120 HB2 GLN 120 -8.061 -2.848 -11.213 939 HB3 GLN 120 HB3 GLN 120 -6.863 -3.391 -10.044 940 HG2 GLN 120 HG2 GLN 120 -5.682 -2.095 -11.587 941 HG3 GLN 120 HG3 GLN 120 -5.300 -3.768 -11.988 942 HE21 GLN 120 HE21 GLN 120 -6.139 -4.668 -13.889 943 HE22 GLN 120 HE22 GLN 120 -6.772 -3.678 -15.161 944 H LYS 121 H LYS 121 -5.269 -5.964 -11.618 945 HA LYS 121 HA LYS 121 -5.409 -7.681 -9.287 946 HB2 LYS 121 HB2 LYS 121 -3.025 -7.229 -11.108 947 HB3 LYS 121 HB3 LYS 121 -3.229 -8.521 -9.936 948 HG2 LYS 121 HG2 LYS 121 -4.885 -8.145 -12.423 949 HG3 LYS 121 HG3 LYS 121 -3.604 -9.337 -12.191 950 HD2 LYS 121 HD2 LYS 121 -4.898 -10.316 -10.328 951 HD3 LYS 121 HD3 LYS 121 -6.189 -9.158 -10.644 952 HE2 LYS 121 HE2 LYS 121 -6.798 -11.215 -11.674 953 HE3 LYS 121 HE3 LYS 121 -6.352 -10.090 -12.954 954 HZ1 LYS 121 HZ1 LYS 121 -4.549 -12.175 -11.841 955 HZ2 LYS 121 HZ2 LYS 121 -4.233 -11.163 -13.169 956 HZ3 LYS 121 HZ3 LYS 121 -5.450 -12.339 -13.268 957 H ALA 122 H ALA 122 -5.245 -4.634 -9.341 958 HA ALA 122 HA ALA 122 -2.909 -3.967 -7.823 959 HB1 ALA 122 HB1 ALA 122 -5.536 -2.514 -8.167 960 HB2 ALA 122 HB2 ALA 122 -4.067 -1.832 -7.469 961 HB3 ALA 122 HB3 ALA 122 -4.099 -2.304 -9.168 962 H ILE 123 H ILE 123 -5.777 -5.554 -7.253 963 HA ILE 123 HA ILE 123 -5.991 -4.937 -4.421 964 HB ILE 123 HB ILE 123 -7.585 -6.874 -6.120 965 HG12 ILE 123 HG12 ILE 123 -7.740 -4.581 -6.978 966 HG13 ILE 123 HG13 ILE 123 -9.267 -5.104 -6.279 967 HG21 ILE 123 HG21 ILE 123 -8.209 -5.642 -3.434 968 HG22 ILE 123 HG22 ILE 123 -9.291 -6.673 -4.368 969 HG23 ILE 123 HG23 ILE 123 -7.783 -7.327 -3.731 970 HD11 ILE 123 HD11 ILE 123 -7.245 -3.306 -4.963 971 HD12 ILE 123 HD12 ILE 123 -8.768 -2.805 -5.696 972 HD13 ILE 123 HD13 ILE 123 -8.776 -3.827 -4.260 973 H LEU 124 H LEU 124 -3.993 -6.815 -6.194 974 HA LEU 124 HA LEU 124 -3.980 -9.065 -4.306 975 HB2 LEU 124 HB2 LEU 124 -2.395 -8.689 -6.853 976 HB3 LEU 124 HB3 LEU 124 -2.411 -10.130 -5.858 977 HG LEU 124 HG LEU 124 -4.713 -9.041 -7.477 978 HD11 LEU 124 HD11 LEU 124 -3.047 -11.537 -7.756 979 HD12 LEU 124 HD12 LEU 124 -4.448 -11.119 -8.742 980 HD13 LEU 124 HD13 LEU 124 -2.994 -10.123 -8.808 981 HD21 LEU 124 HD21 LEU 124 -5.926 -11.038 -6.774 982 HD22 LEU 124 HD22 LEU 124 -4.587 -11.488 -5.718 983 HD23 LEU 124 HD23 LEU 124 -5.514 -10.023 -5.393 984 H PHE 125 H PHE 125 -3.039 -8.151 -2.495 985 HA PHE 125 HA PHE 125 -0.698 -6.458 -2.863 986 HB2 PHE 125 HB2 PHE 125 -2.384 -7.036 -0.416 987 HB3 PHE 125 HB3 PHE 125 -1.046 -5.906 -0.474 988 HD1 PHE 125 HD1 PHE 125 -4.451 -6.569 -1.669 989 HD2 PHE 125 HD2 PHE 125 -1.313 -3.720 -1.353 990 HE1 PHE 125 HE1 PHE 125 -6.001 -4.794 -2.358 991 HE2 PHE 125 HE2 PHE 125 -2.861 -1.937 -2.034 992 HZ PHE 125 HZ PHE 125 -5.197 -2.460 -2.517 993 H LEU 126 H LEU 126 1.305 -6.934 -2.196 994 HA LEU 126 HA LEU 126 1.635 -9.129 -0.279 995 HB2 LEU 126 HB2 LEU 126 2.208 -9.694 -2.768 996 HB3 LEU 126 HB3 LEU 126 3.613 -8.686 -2.503 997 HG LEU 126 HG LEU 126 2.971 -11.149 -0.873 998 HD11 LEU 126 HD11 LEU 126 4.744 -12.234 -2.163 999 HD12 LEU 126 HD12 LEU 126 3.397 -11.745 -3.192 1000 HD13 LEU 126 HD13 LEU 126 4.885 -10.797 -3.177 1001 HD21 LEU 126 HD21 LEU 126 4.381 -9.535 0.300 1002 HD22 LEU 126 HD22 LEU 126 5.300 -10.972 -0.146 1003 HD23 LEU 126 HD23 LEU 126 5.481 -9.485 -1.077 1004 HA PRO 127 HA PRO 127 4.177 -5.775 1.279 1005 HB2 PRO 127 HB2 PRO 127 3.404 -6.137 3.867 1006 HB3 PRO 127 HB3 PRO 127 2.410 -5.292 2.680 1007 HG2 PRO 127 HG2 PRO 127 1.909 -7.843 3.958 1008 HG3 PRO 127 HG3 PRO 127 0.854 -6.930 2.866 1009 HD2 PRO 127 HD2 PRO 127 2.683 -9.180 2.269 1010 HD3 PRO 127 HD3 PRO 127 1.258 -8.610 1.369 1011 H LEU 128 H LEU 128 6.283 -6.443 1.168 1012 HA LEU 128 HA LEU 128 7.093 -8.586 3.023 1013 HB2 LEU 128 HB2 LEU 128 8.960 -9.088 1.495 1014 HB3 LEU 128 HB3 LEU 128 7.391 -9.351 0.764 1015 HG LEU 128 HG LEU 128 8.900 -6.798 0.269 1016 HD11 LEU 128 HD11 LEU 128 9.190 -9.393 -1.241 1017 HD12 LEU 128 HD12 LEU 128 9.850 -7.835 -1.735 1018 HD13 LEU 128 HD13 LEU 128 10.435 -8.614 -0.266 1019 HD21 LEU 128 HD21 LEU 128 7.617 -6.828 -1.813 1020 HD22 LEU 128 HD22 LEU 128 6.880 -8.360 -1.343 1021 HD23 LEU 128 HD23 LEU 128 6.551 -6.899 -0.411 1022 HA PRO 129 HA PRO 129 9.330 -5.265 4.870 1023 HB2 PRO 129 HB2 PRO 129 10.234 -6.554 7.027 1024 HB3 PRO 129 HB3 PRO 129 8.505 -6.257 6.795 1025 HG2 PRO 129 HG2 PRO 129 10.074 -8.761 6.323 1026 HG3 PRO 129 HG3 PRO 129 8.478 -8.564 7.069 1027 HD2 PRO 129 HD2 PRO 129 8.900 -9.300 4.442 1028 HD3 PRO 129 HD3 PRO 129 7.412 -8.550 5.052 1029 H VAL 130 H VAL 130 11.503 -4.586 5.313 1030 HA VAL 130 HA VAL 130 13.170 -5.628 3.224 1031 HB VAL 130 HB VAL 130 14.020 -3.628 5.302 1032 HG11 VAL 130 HG11 VAL 130 15.580 -2.861 3.581 1033 HG12 VAL 130 HG12 VAL 130 15.859 -4.546 4.019 1034 HG13 VAL 130 HG13 VAL 130 15.024 -4.151 2.514 1035 HG21 VAL 130 HG21 VAL 130 11.972 -2.845 4.244 1036 HG22 VAL 130 HG22 VAL 130 13.351 -1.891 3.698 1037 HG23 VAL 130 HG23 VAL 130 12.671 -3.137 2.651 1038 H SER 131 H SER 131 15.134 -6.577 3.332 1039 HA SER 131 HA SER 131 15.473 -8.257 5.705 1040 HB2 SER 131 HB2 SER 131 16.744 -9.718 4.007 1041 HB3 SER 131 HB3 SER 131 14.991 -9.618 3.836 1042 HG SER 131 HG SER 131 17.019 -8.453 2.254 1043 H SER 132 H SER 132 17.631 -8.814 6.346 1044 HA SER 132 HA SER 132 19.570 -6.711 5.804 1045 HB2 SER 132 HB2 SER 132 19.650 -8.989 7.803 1046 HB3 SER 132 HB3 SER 132 20.834 -7.689 7.682 1047 HG SER 132 HG SER 132 19.555 -6.471 8.798 1048 H ASP 133 H ASP 133 20.094 -7.276 3.707 1049 HA ASP 133 HA ASP 133 20.893 -9.929 2.993 1050 HB2 ASP 133 HB2 ASP 133 20.921 -7.276 1.569 1051 HB3 ASP 133 HB3 ASP 133 21.695 -8.690 0.864 Start of MODEL 7 1 H1 TYR 1 H1 TYR 1 16.249 -8.586 9.092 2 H2 TYR 1 H2 TYR 1 15.093 -7.606 8.332 3 H3 TYR 1 H3 TYR 1 15.260 -7.566 10.017 4 HA TYR 1 HA TYR 1 17.513 -6.716 9.771 5 HB2 TYR 1 HB2 TYR 1 18.106 -7.504 7.593 6 HB3 TYR 1 HB3 TYR 1 16.716 -6.712 6.857 7 HD1 TYR 1 HD2 TYR 1 19.803 -5.869 8.798 8 HD2 TYR 1 HD1 TYR 1 17.023 -4.705 5.798 9 HE1 TYR 1 HE2 TYR 1 21.154 -3.864 8.327 10 HE2 TYR 1 HE1 TYR 1 18.359 -2.706 5.322 11 HH TYR 1 HH TYR 1 21.481 -2.290 6.312 12 H LYS 2 H LYS 2 14.988 -5.493 7.558 13 HA LYS 2 HA LYS 2 14.515 -3.346 9.508 14 HB2 LYS 2 HB2 LYS 2 14.648 -3.164 6.501 15 HB3 LYS 2 HB3 LYS 2 13.734 -2.001 7.442 16 HG2 LYS 2 HG2 LYS 2 15.883 -1.528 8.699 17 HG3 LYS 2 HG3 LYS 2 16.701 -2.473 7.450 18 HD2 LYS 2 HD2 LYS 2 15.891 -0.974 5.729 19 HD3 LYS 2 HD3 LYS 2 14.937 -0.081 6.911 20 HE2 LYS 2 HE2 LYS 2 16.797 1.268 6.642 21 HE3 LYS 2 HE3 LYS 2 17.204 0.336 8.080 22 HZ1 LYS 2 HZ1 LYS 2 18.511 -1.153 6.650 23 HZ2 LYS 2 HZ2 LYS 2 19.078 0.437 6.610 24 HZ3 LYS 2 HZ3 LYS 2 18.170 -0.167 5.315 25 H LYS 3 H LYS 3 12.431 -3.023 10.030 26 HA LYS 3 HA LYS 3 10.454 -4.776 8.875 27 HB2 LYS 3 HB2 LYS 3 8.943 -3.549 10.582 28 HB3 LYS 3 HB3 LYS 3 10.151 -4.698 11.135 29 HG2 LYS 3 HG2 LYS 3 11.673 -2.699 11.482 30 HG3 LYS 3 HG3 LYS 3 10.229 -1.707 11.266 31 HD2 LYS 3 HD2 LYS 3 9.172 -2.687 13.152 32 HD3 LYS 3 HD3 LYS 3 10.403 -3.946 13.268 33 HE2 LYS 3 HE2 LYS 3 12.078 -2.175 13.749 34 HE3 LYS 3 HE3 LYS 3 10.766 -0.998 13.771 35 HZ1 LYS 3 HZ1 LYS 3 10.964 -3.358 15.566 36 HZ2 LYS 3 HZ2 LYS 3 9.781 -2.143 15.627 37 HZ3 LYS 3 HZ3 LYS 3 11.389 -1.773 15.994 38 HA PRO 4 HA PRO 4 9.441 -0.327 6.807 39 HB2 PRO 4 HB2 PRO 4 12.282 -0.742 5.927 40 HB3 PRO 4 HB3 PRO 4 11.313 0.736 5.905 41 HG2 PRO 4 HG2 PRO 4 13.138 0.249 7.821 42 HG3 PRO 4 HG3 PRO 4 11.644 1.145 8.143 43 HD2 PRO 4 HD2 PRO 4 12.436 -1.532 9.025 44 HD3 PRO 4 HD3 PRO 4 11.143 -0.483 9.639 45 H LYS 5 H LYS 5 8.190 -1.410 5.430 46 HA LYS 5 HA LYS 5 9.130 -3.956 4.333 47 HB2 LYS 5 HB2 LYS 5 7.147 -4.059 5.727 48 HB3 LYS 5 HB3 LYS 5 6.365 -2.814 4.766 49 HG2 LYS 5 HG2 LYS 5 6.895 -4.681 2.871 50 HG3 LYS 5 HG3 LYS 5 6.616 -5.691 4.293 51 HD2 LYS 5 HD2 LYS 5 4.498 -5.453 3.329 52 HD3 LYS 5 HD3 LYS 5 4.509 -4.286 4.649 53 HE2 LYS 5 HE2 LYS 5 5.102 -3.611 1.770 54 HE3 LYS 5 HE3 LYS 5 3.526 -3.420 2.528 55 HZ1 LYS 5 HZ1 LYS 5 4.657 -1.333 2.537 56 HZ2 LYS 5 HZ2 LYS 5 6.030 -2.001 3.259 57 HZ3 LYS 5 HZ3 LYS 5 4.586 -1.890 4.132 58 H LEU 6 H LEU 6 8.650 -4.537 2.213 59 HA LEU 6 HA LEU 6 8.605 -2.303 0.309 60 HB2 LEU 6 HB2 LEU 6 10.474 -3.876 0.132 61 HB3 LEU 6 HB3 LEU 6 9.368 -5.221 0.019 62 HG LEU 6 HG LEU 6 10.542 -4.488 -2.116 63 HD11 LEU 6 HD11 LEU 6 8.590 -4.883 -3.531 64 HD12 LEU 6 HD12 LEU 6 8.649 -6.000 -2.166 65 HD13 LEU 6 HD13 LEU 6 7.532 -4.633 -2.141 66 HD21 LEU 6 HD21 LEU 6 9.680 -2.633 -3.343 67 HD22 LEU 6 HD22 LEU 6 8.476 -2.304 -2.088 68 HD23 LEU 6 HD23 LEU 6 10.193 -2.061 -1.756 69 H LEU 7 H LEU 7 6.947 -2.067 -1.114 70 HA LEU 7 HA LEU 7 4.626 -3.777 -0.638 71 HB2 LEU 7 HB2 LEU 7 4.281 -1.386 -0.414 72 HB3 LEU 7 HB3 LEU 7 4.859 -1.133 -2.052 73 HG LEU 7 HG LEU 7 2.665 -3.032 -1.989 74 HD11 LEU 7 HD11 LEU 7 2.158 -0.252 -0.939 75 HD12 LEU 7 HD12 LEU 7 0.933 -1.454 -1.340 76 HD13 LEU 7 HD13 LEU 7 2.043 -1.741 -0.001 77 HD21 LEU 7 HD21 LEU 7 3.001 -0.353 -3.324 78 HD22 LEU 7 HD22 LEU 7 3.531 -1.901 -3.985 79 HD23 LEU 7 HD23 LEU 7 1.813 -1.590 -3.732 80 H TYR 8 H TYR 8 4.314 -5.378 -1.906 81 HA TYR 8 HA TYR 8 4.909 -5.086 -4.785 82 HB2 TYR 8 HB2 TYR 8 6.422 -6.569 -3.263 83 HB3 TYR 8 HB3 TYR 8 5.066 -7.683 -3.257 84 HD1 TYR 8 HD2 TYR 8 7.598 -6.067 -5.402 85 HD2 TYR 8 HD1 TYR 8 4.643 -9.112 -5.110 86 HE1 TYR 8 HE2 TYR 8 8.410 -7.048 -7.504 87 HE2 TYR 8 HE1 TYR 8 5.442 -10.099 -7.217 88 HH TYR 8 HH TYR 8 6.680 -9.402 -9.239 89 H CYS 9 H CYS 9 2.691 -4.598 -5.308 90 HA CYS 9 HA CYS 9 0.929 -6.970 -5.215 91 HB2 CYS 9 HB2 CYS 9 -0.968 -5.448 -5.599 92 HB3 CYS 9 HB3 CYS 9 -0.110 -5.018 -4.126 93 HG CYS 9 HG CYS 9 -1.110 -2.827 -5.845 94 H SER 10 H SER 10 0.171 -7.684 -7.425 95 HA SER 10 HA SER 10 2.541 -6.878 -8.927 96 HB2 SER 10 HB2 SER 10 1.484 -9.671 -8.582 97 HB3 SER 10 HB3 SER 10 2.969 -9.205 -9.417 98 HG SER 10 HG SER 10 3.106 -9.900 -7.113 99 H ASN 11 H ASN 11 1.576 -5.702 -10.619 100 HA ASN 11 HA ASN 11 1.418 -7.747 -12.706 101 HB2 ASN 11 HB2 ASN 11 0.277 -5.515 -13.124 102 HB3 ASN 11 HB3 ASN 11 1.861 -4.752 -13.022 103 HD21 ASN 11 HD21 ASN 11 -0.243 -6.751 -14.919 104 HD22 ASN 11 HD22 ASN 11 0.702 -6.730 -16.367 105 H GLY 12 H GLY 12 3.561 -7.498 -14.207 106 HA2 GLY 12 HA3 GLY 12 5.396 -8.620 -12.383 107 HA3 GLY 12 HA2 GLY 12 5.658 -8.413 -14.096 108 H GLY 13 H GLY 13 5.591 -6.315 -11.167 109 HA2 GLY 13 HA3 GLY 13 7.629 -5.942 -10.003 110 HA3 GLY 13 HA2 GLY 13 8.500 -6.120 -11.503 111 H HIS 14 H HIS 14 6.358 -3.914 -9.740 112 HA HIS 14 HA HIS 14 8.337 -1.859 -10.272 113 HB2 HIS 14 HB2 HIS 14 5.351 -1.603 -10.467 114 HB3 HIS 14 HB3 HIS 14 6.311 -0.227 -9.933 115 HD1 HIS 14 HD1 HIS 14 5.786 -2.447 -12.949 116 HD2 HIS 14 HD2 HIS 14 7.675 1.109 -11.922 117 HE1 HIS 14 HE1 HIS 14 6.514 -1.418 -15.121 118 HE2 HIS 14 HE2 HIS 14 7.747 0.684 -14.470 119 H PHE 15 H PHE 15 8.099 -0.183 -8.283 120 HA PHE 15 HA PHE 15 7.292 -1.700 -5.913 121 HB2 PHE 15 HB2 PHE 15 9.958 -0.286 -6.215 122 HB3 PHE 15 HB3 PHE 15 9.357 -1.023 -4.734 123 HD1 PHE 15 HD2 PHE 15 8.716 -3.568 -4.960 124 HD2 PHE 15 HD1 PHE 15 11.373 -1.497 -7.555 125 HE1 PHE 15 HE2 PHE 15 9.739 -5.709 -5.614 126 HE2 PHE 15 HE1 PHE 15 12.400 -3.631 -8.217 127 HZ PHE 15 HZ PHE 15 11.588 -5.743 -7.231 128 H LEU 16 H LEU 16 6.347 -0.433 -4.357 129 HA LEU 16 HA LEU 16 5.469 2.097 -5.254 130 HB2 LEU 16 HB2 LEU 16 3.970 0.630 -4.109 131 HB3 LEU 16 HB3 LEU 16 5.044 0.506 -2.735 132 HG LEU 16 HG LEU 16 3.912 3.187 -3.381 133 HD11 LEU 16 HD11 LEU 16 1.896 2.662 -2.099 134 HD12 LEU 16 HD12 LEU 16 1.988 1.685 -3.564 135 HD13 LEU 16 HD13 LEU 16 2.392 0.973 -2.001 136 HD21 LEU 16 HD21 LEU 16 3.934 3.377 -0.941 137 HD22 LEU 16 HD22 LEU 16 4.478 1.705 -0.811 138 HD23 LEU 16 HD23 LEU 16 5.523 2.917 -1.555 139 H ARG 17 H ARG 17 6.066 3.976 -4.815 140 HA ARG 17 HA ARG 17 8.450 4.414 -3.142 141 HB2 ARG 17 HB2 ARG 17 9.196 3.985 -5.341 142 HB3 ARG 17 HB3 ARG 17 7.894 4.916 -6.049 143 HG2 ARG 17 HG2 ARG 17 8.931 6.955 -5.523 144 HG3 ARG 17 HG3 ARG 17 10.076 6.176 -4.423 145 HD2 ARG 17 HD2 ARG 17 9.936 5.522 -7.361 146 HD3 ARG 17 HD3 ARG 17 10.983 6.798 -6.716 147 HE ARG 17 HE ARG 17 12.346 5.180 -5.790 148 HH11 ARG 17 HH12 ARG 17 9.535 3.701 -7.242 149 HH12 ARG 17 HH11 ARG 17 10.042 2.079 -6.893 150 HH21 ARG 17 HH22 ARG 17 13.007 3.050 -5.291 151 HH22 ARG 17 HH21 ARG 17 12.006 1.713 -5.775 152 H ILE 18 H ILE 18 8.729 6.581 -2.416 153 HA ILE 18 HA ILE 18 6.350 8.221 -2.670 154 HB ILE 18 HB ILE 18 7.276 9.729 -1.109 155 HG12 ILE 18 HG12 ILE 18 9.604 9.803 -1.825 156 HG13 ILE 18 HG13 ILE 18 9.497 9.524 -0.094 157 HG21 ILE 18 HG21 ILE 18 7.789 6.902 -0.228 158 HG22 ILE 18 HG22 ILE 18 7.634 8.285 0.855 159 HG23 ILE 18 HG23 ILE 18 6.265 7.785 -0.137 160 HD11 ILE 18 HD11 ILE 18 11.258 8.200 -1.120 161 HD12 ILE 18 HD12 ILE 18 10.000 7.168 -0.437 162 HD13 ILE 18 HD13 ILE 18 10.075 7.431 -2.180 163 H LEU 19 H LEU 19 6.126 9.588 -4.209 164 HA LEU 19 HA LEU 19 8.477 11.127 -5.057 165 HB2 LEU 19 HB2 LEU 19 5.871 10.572 -6.483 166 HB3 LEU 19 HB3 LEU 19 6.944 11.870 -6.965 167 HG LEU 19 HG LEU 19 8.737 10.075 -7.260 168 HD11 LEU 19 HD11 LEU 19 6.313 8.286 -7.175 169 HD12 LEU 19 HD12 LEU 19 7.934 7.813 -7.685 170 HD13 LEU 19 HD13 LEU 19 7.642 8.294 -6.015 171 HD21 LEU 19 HD21 LEU 19 7.626 11.199 -9.114 172 HD22 LEU 19 HD22 LEU 19 7.929 9.501 -9.486 173 HD23 LEU 19 HD23 LEU 19 6.307 10.030 -9.042 174 HA PRO 20 HA PRO 20 6.429 14.100 -2.427 175 HB2 PRO 20 HB2 PRO 20 8.554 15.910 -3.295 176 HB3 PRO 20 HB3 PRO 20 8.232 15.285 -1.674 177 HG2 PRO 20 HG2 PRO 20 10.383 14.508 -3.082 178 HG3 PRO 20 HG3 PRO 20 9.513 13.384 -2.021 179 HD2 PRO 20 HD2 PRO 20 9.344 13.685 -5.003 180 HD3 PRO 20 HD3 PRO 20 9.446 12.201 -4.027 181 H ASP 21 H ASP 21 6.495 13.882 -5.556 182 HA ASP 21 HA ASP 21 5.658 16.547 -6.339 183 HB2 ASP 21 HB2 ASP 21 6.941 15.153 -7.909 184 HB3 ASP 21 HB3 ASP 21 5.661 13.945 -7.890 185 H GLY 22 H GLY 22 4.244 13.556 -5.317 186 HA2 GLY 22 HA3 GLY 22 1.934 14.071 -4.360 187 HA3 GLY 22 HA2 GLY 22 1.561 14.567 -6.002 188 H THR 23 H THR 23 3.571 11.740 -5.197 189 HA THR 23 HA THR 23 1.426 10.036 -6.184 190 HB THR 23 HB THR 23 4.116 9.349 -6.985 191 HG1 THR 23 HG1 THR 23 2.857 11.687 -8.075 192 HG21 THR 23 HG21 THR 23 2.986 8.898 -9.125 193 HG22 THR 23 HG22 THR 23 1.520 9.635 -8.480 194 HG23 THR 23 HG23 THR 23 2.150 8.155 -7.762 195 H VAL 24 H VAL 24 1.251 8.214 -4.966 196 HA VAL 24 HA VAL 24 3.775 6.986 -4.082 197 HB VAL 24 HB VAL 24 2.144 7.203 -2.285 198 HG11 VAL 24 HG11 VAL 24 0.113 7.338 -3.499 199 HG12 VAL 24 HG12 VAL 24 0.358 5.727 -4.177 200 HG13 VAL 24 HG13 VAL 24 0.004 5.915 -2.457 201 HG21 VAL 24 HG21 VAL 24 3.559 5.241 -2.264 202 HG22 VAL 24 HG22 VAL 24 1.962 4.855 -1.622 203 HG23 VAL 24 HG23 VAL 24 2.396 4.368 -3.261 204 H ASP 25 H ASP 25 4.507 5.845 -5.777 205 HA ASP 25 HA ASP 25 2.704 3.957 -7.109 206 HB2 ASP 25 HB2 ASP 25 3.378 4.581 -9.321 207 HB3 ASP 25 HB3 ASP 25 2.876 6.047 -8.492 208 H GLY 26 H GLY 26 3.594 2.234 -8.328 209 HA2 GLY 26 HA3 GLY 26 6.180 1.392 -7.336 210 HA3 GLY 26 HA2 GLY 26 5.183 0.569 -8.492 211 H THR 27 H THR 27 7.997 1.634 -8.157 212 HA THR 27 HA THR 27 8.516 1.906 -11.000 213 HB THR 27 HB THR 27 9.543 3.772 -8.845 214 HG1 THR 27 HG1 THR 27 7.552 4.393 -9.838 215 HG21 THR 27 HG21 THR 27 10.484 3.556 -11.698 216 HG22 THR 27 HG22 THR 27 11.380 3.019 -10.274 217 HG23 THR 27 HG23 THR 27 11.028 4.735 -10.503 218 H ARG 28 H ARG 28 10.663 0.764 -11.465 219 HA ARG 28 HA ARG 28 11.162 -0.856 -9.088 220 HB2 ARG 28 HB2 ARG 28 10.988 -2.076 -11.132 221 HB3 ARG 28 HB3 ARG 28 12.206 -1.075 -11.899 222 HG2 ARG 28 HG2 ARG 28 13.913 -1.977 -10.435 223 HG3 ARG 28 HG3 ARG 28 12.696 -2.930 -9.581 224 HD2 ARG 28 HD2 ARG 28 13.985 -4.241 -11.243 225 HD3 ARG 28 HD3 ARG 28 12.251 -4.227 -11.554 226 HE ARG 28 HE ARG 28 13.631 -2.169 -12.978 227 HH11 ARG 28 HH12 ARG 28 12.861 -5.575 -13.013 228 HH12 ARG 28 HH11 ARG 28 12.953 -5.720 -14.740 229 HH21 ARG 28 HH22 ARG 28 13.735 -2.321 -15.246 230 HH22 ARG 28 HH21 ARG 28 13.445 -3.856 -16.019 231 H ASP 29 H ASP 29 12.173 0.221 -7.761 232 HA ASP 29 HA ASP 29 15.047 0.228 -8.105 233 HB2 ASP 29 HB2 ASP 29 14.945 2.541 -8.241 234 HB3 ASP 29 HB3 ASP 29 13.457 2.630 -7.301 235 H ARG 30 H ARG 30 15.541 -1.387 -6.652 236 HA ARG 30 HA ARG 30 14.750 -0.713 -3.920 237 HB2 ARG 30 HB2 ARG 30 15.130 -3.258 -3.460 238 HB3 ARG 30 HB3 ARG 30 13.589 -2.685 -4.070 239 HG2 ARG 30 HG2 ARG 30 13.921 -4.494 -5.404 240 HG3 ARG 30 HG3 ARG 30 14.664 -3.241 -6.396 241 HD2 ARG 30 HD2 ARG 30 16.854 -3.870 -5.639 242 HD3 ARG 30 HD3 ARG 30 16.168 -5.011 -4.481 243 HE ARG 30 HE ARG 30 15.823 -5.335 -7.395 244 HH11 ARG 30 HH12 ARG 30 16.676 -6.597 -4.244 245 HH12 ARG 30 HH11 ARG 30 16.898 -8.218 -4.804 246 HH21 ARG 30 HH22 ARG 30 16.125 -7.476 -8.146 247 HH22 ARG 30 HH21 ARG 30 16.611 -8.721 -7.027 248 H SER 31 H SER 31 16.818 0.345 -5.284 249 HA SER 31 HA SER 31 19.157 -0.825 -3.933 250 HB2 SER 31 HB2 SER 31 19.329 -0.832 -6.409 251 HB3 SER 31 HB3 SER 31 19.089 0.913 -6.417 252 HG SER 31 HG SER 31 21.015 0.886 -4.927 253 H ASP 32 H ASP 32 17.007 1.828 -4.183 254 HA ASP 32 HA ASP 32 18.828 3.468 -2.550 255 HB2 ASP 32 HB2 ASP 32 16.962 4.206 -4.748 256 HB3 ASP 32 HB3 ASP 32 17.109 5.326 -3.398 257 H GLN 33 H GLN 33 17.147 5.279 -1.579 258 HA GLN 33 HA GLN 33 15.769 3.650 0.386 259 HB2 GLN 33 HB2 GLN 33 17.727 5.355 0.694 260 HB3 GLN 33 HB3 GLN 33 16.435 6.549 0.647 261 HG2 GLN 33 HG2 GLN 33 15.332 5.394 2.479 262 HG3 GLN 33 HG3 GLN 33 16.671 4.255 2.536 263 HE21 GLN 33 HE21 GLN 33 15.702 6.055 4.595 264 HE22 GLN 33 HE22 GLN 33 17.036 7.067 5.023 265 H HIS 34 H HIS 34 13.945 3.624 -1.409 266 HA HIS 34 HA HIS 34 12.223 5.965 -0.928 267 HB2 HIS 34 HB2 HIS 34 12.411 4.368 -3.489 268 HB3 HIS 34 HB3 HIS 34 11.349 5.739 -3.203 269 HD1 HIS 34 HD1 HIS 34 14.534 4.888 -4.642 270 HD2 HIS 34 HD2 HIS 34 12.951 8.203 -2.667 271 HE1 HIS 34 HE1 HIS 34 16.008 6.830 -5.263 272 HE2 HIS 34 HE2 HIS 34 14.929 8.847 -4.203 273 H ILE 35 H ILE 35 12.500 2.530 -1.314 274 HA ILE 35 HA ILE 35 9.637 2.148 -1.385 275 HB ILE 35 HB ILE 35 10.023 -0.106 -1.963 276 HG12 ILE 35 HG12 ILE 35 11.850 -0.560 -0.308 277 HG13 ILE 35 HG13 ILE 35 12.146 -1.239 -1.900 278 HG21 ILE 35 HG21 ILE 35 10.415 1.575 -3.700 279 HG22 ILE 35 HG22 ILE 35 12.137 1.565 -3.306 280 HG23 ILE 35 HG23 ILE 35 11.368 0.113 -3.953 281 HD11 ILE 35 HD11 ILE 35 13.446 1.157 -0.644 282 HD12 ILE 35 HD12 ILE 35 14.192 -0.365 -1.120 283 HD13 ILE 35 HD13 ILE 35 13.609 0.754 -2.353 284 H GLN 36 H GLN 36 11.186 2.788 1.385 285 HA GLN 36 HA GLN 36 10.337 0.224 2.575 286 HB2 GLN 36 HB2 GLN 36 11.834 0.599 4.419 287 HB3 GLN 36 HB3 GLN 36 12.696 0.744 2.894 288 HG2 GLN 36 HG2 GLN 36 11.801 3.344 3.622 289 HG3 GLN 36 HG3 GLN 36 12.563 2.593 5.029 290 HE21 GLN 36 HE21 GLN 36 13.449 1.765 1.758 291 HE22 GLN 36 HE22 GLN 36 15.025 2.472 1.806 292 H LEU 37 H LEU 37 8.302 0.407 3.023 293 HA LEU 37 HA LEU 37 7.470 2.573 4.824 294 HB2 LEU 37 HB2 LEU 37 5.111 1.794 4.109 295 HB3 LEU 37 HB3 LEU 37 6.038 2.858 3.087 296 HG LEU 37 HG LEU 37 6.018 -0.119 2.618 297 HD11 LEU 37 HD11 LEU 37 4.074 1.896 1.502 298 HD12 LEU 37 HD12 LEU 37 4.204 0.203 1.022 299 HD13 LEU 37 HD13 LEU 37 3.690 0.619 2.656 300 HD21 LEU 37 HD21 LEU 37 6.447 2.229 0.772 301 HD22 LEU 37 HD22 LEU 37 7.716 1.204 1.443 302 HD23 LEU 37 HD23 LEU 37 6.533 0.525 0.324 303 H GLN 38 H GLN 38 6.569 2.095 6.698 304 HA GLN 38 HA GLN 38 7.261 -0.611 7.558 305 HB2 GLN 38 HB2 GLN 38 7.992 1.757 8.601 306 HB3 GLN 38 HB3 GLN 38 6.488 1.524 9.498 307 HG2 GLN 38 HG2 GLN 38 8.365 -0.762 9.413 308 HG3 GLN 38 HG3 GLN 38 8.851 0.641 10.357 309 HE21 GLN 38 HE21 GLN 38 5.488 -0.155 10.037 310 HE22 GLN 38 HE22 GLN 38 5.266 -0.762 11.640 311 H LEU 39 H LEU 39 5.663 -2.030 7.550 312 HA LEU 39 HA LEU 39 2.912 -1.025 7.732 313 HB2 LEU 39 HB2 LEU 39 4.122 -2.645 5.825 314 HB3 LEU 39 HB3 LEU 39 3.239 -3.781 6.836 315 HG LEU 39 HG LEU 39 2.108 -1.473 5.265 316 HD11 LEU 39 HD11 LEU 39 0.757 -3.225 4.225 317 HD12 LEU 39 HD12 LEU 39 2.483 -3.511 4.007 318 HD13 LEU 39 HD13 LEU 39 1.579 -4.438 5.206 319 HD21 LEU 39 HD21 LEU 39 -0.074 -2.037 6.201 320 HD22 LEU 39 HD22 LEU 39 0.686 -3.210 7.277 321 HD23 LEU 39 HD23 LEU 39 1.042 -1.490 7.453 322 H SER 40 H SER 40 2.344 -1.112 9.830 323 HA SER 40 HA SER 40 2.659 -3.700 11.206 324 HB2 SER 40 HB2 SER 40 2.167 -0.963 12.411 325 HB3 SER 40 HB3 SER 40 2.359 -2.467 13.311 326 HG SER 40 HG SER 40 4.428 -2.205 13.183 327 H ALA 41 H ALA 41 0.839 -4.428 12.503 328 HA ALA 41 HA ALA 41 -1.751 -3.255 11.714 329 HB1 ALA 41 HB1 ALA 41 -1.122 -6.077 12.613 330 HB2 ALA 41 HB2 ALA 41 -2.733 -5.463 12.241 331 HB3 ALA 41 HB3 ALA 41 -1.517 -5.577 10.969 332 H GLU 42 H GLU 42 -2.277 -1.866 13.343 333 HA GLU 42 HA GLU 42 -1.130 -2.505 15.957 334 HB2 GLU 42 HB2 GLU 42 -1.330 -0.040 16.402 335 HB3 GLU 42 HB3 GLU 42 -0.177 -0.522 15.167 336 HG2 GLU 42 HG2 GLU 42 -1.755 0.112 13.432 337 HG3 GLU 42 HG3 GLU 42 -2.933 0.578 14.660 338 H SER 43 H SER 43 -4.201 -1.616 14.434 339 HA SER 43 HA SER 43 -5.378 -2.169 17.081 340 HB2 SER 43 HB2 SER 43 -6.797 -0.703 14.861 341 HB3 SER 43 HB3 SER 43 -7.263 -0.818 16.556 342 HG SER 43 HG SER 43 -5.609 0.948 15.335 343 H VAL 44 H VAL 44 -7.577 -3.274 16.879 344 HA VAL 44 HA VAL 44 -7.229 -5.669 15.487 345 HB VAL 44 HB VAL 44 -9.627 -6.099 15.986 346 HG11 VAL 44 HG11 VAL 44 -9.363 -6.115 18.420 347 HG12 VAL 44 HG12 VAL 44 -7.899 -6.657 17.598 348 HG13 VAL 44 HG13 VAL 44 -7.983 -5.027 18.267 349 HG21 VAL 44 HG21 VAL 44 -10.854 -4.498 17.387 350 HG22 VAL 44 HG22 VAL 44 -9.553 -3.328 17.169 351 HG23 VAL 44 HG23 VAL 44 -10.515 -3.846 15.784 352 H GLY 45 H GLY 45 -7.206 -5.951 13.392 353 HA2 GLY 45 HA3 GLY 45 -8.353 -6.266 11.371 354 HA3 GLY 45 HA2 GLY 45 -9.487 -5.011 11.846 355 H GLU 46 H GLU 46 -7.101 -3.220 12.562 356 HA GLU 46 HA GLU 46 -6.876 -2.317 9.827 357 HB2 GLU 46 HB2 GLU 46 -6.485 -0.105 10.653 358 HB3 GLU 46 HB3 GLU 46 -7.964 -0.757 11.321 359 HG2 GLU 46 HG2 GLU 46 -6.818 -1.225 13.408 360 HG3 GLU 46 HG3 GLU 46 -5.318 -0.595 12.730 361 H VAL 47 H VAL 47 -5.100 -1.876 8.785 362 HA VAL 47 HA VAL 47 -2.564 -2.288 10.213 363 HB VAL 47 HB VAL 47 -1.546 -2.901 8.055 364 HG11 VAL 47 HG11 VAL 47 -2.494 -5.178 7.946 365 HG12 VAL 47 HG12 VAL 47 -2.215 -4.639 9.603 366 HG13 VAL 47 HG13 VAL 47 -3.848 -4.640 8.940 367 HG21 VAL 47 HG21 VAL 47 -4.396 -2.939 7.058 368 HG22 VAL 47 HG22 VAL 47 -3.113 -1.850 6.531 369 HG23 VAL 47 HG23 VAL 47 -3.003 -3.575 6.183 370 H TYR 48 H TYR 48 -0.923 -0.848 9.788 371 HA TYR 48 HA TYR 48 -1.901 1.611 8.510 372 HB2 TYR 48 HB2 TYR 48 -1.819 1.794 10.982 373 HB3 TYR 48 HB3 TYR 48 -0.101 1.415 10.936 374 HD1 TYR 48 HD1 TYR 48 -2.377 3.800 9.146 375 HD2 TYR 48 HD2 TYR 48 1.251 3.232 11.289 376 HE1 TYR 48 HE1 TYR 48 -1.860 6.192 8.893 377 HE2 TYR 48 HE2 TYR 48 1.775 5.620 11.048 378 HH TYR 48 HH TYR 48 -0.416 7.927 10.176 379 H ILE 49 H ILE 49 -0.799 2.220 6.887 380 HA ILE 49 HA ILE 49 1.869 1.159 6.403 381 HB ILE 49 HB ILE 49 -0.068 2.619 4.587 382 HG12 ILE 49 HG12 ILE 49 0.882 -0.257 4.634 383 HG13 ILE 49 HG13 ILE 49 -0.725 0.316 5.072 384 HG21 ILE 49 HG21 ILE 49 2.651 1.484 3.945 385 HG22 ILE 49 HG22 ILE 49 1.514 2.155 2.775 386 HG23 ILE 49 HG23 ILE 49 2.226 3.194 4.012 387 HD11 ILE 49 HD11 ILE 49 -0.707 -0.687 2.860 388 HD12 ILE 49 HD12 ILE 49 -1.097 1.031 2.770 389 HD13 ILE 49 HD13 ILE 49 0.517 0.470 2.333 390 H LYS 50 H LYS 50 3.311 2.381 7.431 391 HA LYS 50 HA LYS 50 3.016 5.283 7.156 392 HB2 LYS 50 HB2 LYS 50 4.147 5.563 9.297 393 HB3 LYS 50 HB3 LYS 50 2.664 4.640 9.464 394 HG2 LYS 50 HG2 LYS 50 3.987 2.573 9.581 395 HG3 LYS 50 HG3 LYS 50 5.466 3.537 9.480 396 HD2 LYS 50 HD2 LYS 50 4.831 4.723 11.523 397 HD3 LYS 50 HD3 LYS 50 3.351 3.770 11.620 398 HE2 LYS 50 HE2 LYS 50 4.727 1.729 11.808 399 HE3 LYS 50 HE3 LYS 50 6.175 2.736 11.810 400 HZ1 LYS 50 HZ1 LYS 50 5.513 2.138 14.053 401 HZ2 LYS 50 HZ2 LYS 50 3.986 2.841 13.818 402 HZ3 LYS 50 HZ3 LYS 50 5.377 3.816 13.823 403 H SER 51 H SER 51 4.854 6.499 6.928 404 HA SER 51 HA SER 51 6.953 5.306 5.429 405 HB2 SER 51 HB2 SER 51 5.984 7.594 5.027 406 HB3 SER 51 HB3 SER 51 6.610 8.090 6.593 407 HG SER 51 HG SER 51 8.304 8.620 5.486 408 H THR 52 H THR 52 8.881 4.669 6.173 409 HA THR 52 HA THR 52 9.588 5.083 8.917 410 HB THR 52 HB THR 52 11.362 4.230 6.604 411 HG1 THR 52 HG1 THR 52 10.010 2.552 8.466 412 HG21 THR 52 HG21 THR 52 12.703 3.172 8.363 413 HG22 THR 52 HG22 THR 52 11.606 3.817 9.584 414 HG23 THR 52 HG23 THR 52 12.581 4.914 8.608 415 H GLU 53 H GLU 53 12.030 5.860 6.554 416 HA GLU 53 HA GLU 53 11.612 8.688 7.295 417 HB2 GLU 53 HB2 GLU 53 13.885 7.396 5.787 418 HB3 GLU 53 HB3 GLU 53 13.723 9.130 6.029 419 HG2 GLU 53 HG2 GLU 53 13.683 8.630 8.513 420 HG3 GLU 53 HG3 GLU 53 14.221 7.005 8.082 421 H THR 54 H THR 54 11.932 6.586 4.514 422 HA THR 54 HA THR 54 10.648 8.607 2.826 423 HB THR 54 HB THR 54 11.749 7.173 0.962 424 HG1 THR 54 HG1 THR 54 13.677 6.186 1.709 425 HG21 THR 54 HG21 THR 54 13.390 8.936 2.785 426 HG22 THR 54 HG22 THR 54 12.327 9.499 1.497 427 HG23 THR 54 HG23 THR 54 13.761 8.553 1.104 428 H GLY 55 H GLY 55 9.040 6.494 4.359 429 HA2 GLY 55 HA3 GLY 55 8.887 4.394 2.331 430 HA3 GLY 55 HA2 GLY 55 8.289 4.279 3.970 431 H GLN 56 H GLN 56 6.702 6.818 3.674 432 HA GLN 56 HA GLN 56 5.484 7.370 1.361 433 HB2 GLN 56 HB2 GLN 56 4.760 5.031 1.117 434 HB3 GLN 56 HB3 GLN 56 3.849 5.162 2.617 435 HG2 GLN 56 HG2 GLN 56 2.478 5.374 0.570 436 HG3 GLN 56 HG3 GLN 56 2.367 6.749 1.667 437 HE21 GLN 56 HE21 GLN 56 1.660 8.116 0.004 438 HE22 GLN 56 HE22 GLN 56 2.753 8.695 -1.209 439 H TYR 57 H TYR 57 4.315 9.109 1.637 440 HA TYR 57 HA TYR 57 3.000 9.571 4.211 441 HB2 TYR 57 HB2 TYR 57 3.517 11.563 1.998 442 HB3 TYR 57 HB3 TYR 57 3.111 11.896 3.670 443 HD1 TYR 57 HD2 TYR 57 5.805 10.714 1.432 444 HD2 TYR 57 HD1 TYR 57 4.786 12.046 5.342 445 HE1 TYR 57 HE2 TYR 57 8.193 10.884 1.995 446 HE2 TYR 57 HE1 TYR 57 7.166 12.216 5.914 447 HH TYR 57 HH TYR 57 9.298 11.213 5.170 448 H LEU 58 H LEU 58 1.521 7.857 3.137 449 HA LEU 58 HA LEU 58 0.118 8.653 0.760 450 HB2 LEU 58 HB2 LEU 58 0.739 6.252 1.970 451 HB3 LEU 58 HB3 LEU 58 -0.995 6.377 2.185 452 HG LEU 58 HG LEU 58 0.347 6.699 -0.489 453 HD11 LEU 58 HD11 LEU 58 0.842 4.472 0.410 454 HD12 LEU 58 HD12 LEU 58 -0.874 4.211 0.723 455 HD13 LEU 58 HD13 LEU 58 -0.294 4.375 -0.934 456 HD21 LEU 58 HD21 LEU 58 -1.907 6.151 -1.334 457 HD22 LEU 58 HD22 LEU 58 -2.505 6.134 0.326 458 HD23 LEU 58 HD23 LEU 58 -1.885 7.629 -0.376 459 H ALA 59 H ALA 59 -1.935 9.187 0.466 460 HA ALA 59 HA ALA 59 -3.819 9.142 2.681 461 HB1 ALA 59 HB1 ALA 59 -4.643 11.386 2.135 462 HB2 ALA 59 HB2 ALA 59 -2.953 11.431 2.641 463 HB3 ALA 59 HB3 ALA 59 -3.363 11.563 0.932 464 H MET 60 H MET 60 -5.684 8.146 1.975 465 HA MET 60 HA MET 60 -6.126 7.865 -0.873 466 HB2 MET 60 HB2 MET 60 -7.695 7.031 1.555 467 HB3 MET 60 HB3 MET 60 -8.325 6.829 -0.075 468 HG2 MET 60 HG2 MET 60 -6.243 5.509 -0.581 469 HG3 MET 60 HG3 MET 60 -5.913 5.538 1.151 470 HE1 MET 60 HE1 MET 60 -7.645 4.567 2.975 471 HE2 MET 60 HE2 MET 60 -8.957 5.480 2.230 472 HE3 MET 60 HE3 MET 60 -9.149 3.754 2.539 473 H ASP 61 H ASP 61 -7.500 9.046 -2.143 474 HA ASP 61 HA ASP 61 -9.055 11.104 -0.734 475 HB2 ASP 61 HB2 ASP 61 -7.348 12.308 -1.720 476 HB3 ASP 61 HB3 ASP 61 -7.440 11.439 -3.246 477 H THR 62 H THR 62 -10.998 10.983 -0.969 478 HA THR 62 HA THR 62 -13.040 10.131 -1.425 479 HB THR 62 HB THR 62 -12.030 9.833 -4.252 480 HG1 THR 62 HG1 THR 62 -12.048 11.952 -4.273 481 HG21 THR 62 HG21 THR 62 -14.808 10.149 -3.128 482 HG22 THR 62 HG22 THR 62 -14.134 8.666 -3.802 483 HG23 THR 62 HG23 THR 62 -14.400 10.065 -4.842 484 H ASP 63 H ASP 63 -10.229 8.386 -2.219 485 HA ASP 63 HA ASP 63 -9.562 6.294 -1.581 486 HB2 ASP 63 HB2 ASP 63 -12.485 5.580 -1.530 487 HB3 ASP 63 HB3 ASP 63 -11.180 4.486 -1.114 488 H GLY 64 H GLY 64 -10.703 7.654 -4.020 489 HA2 GLY 64 HA3 GLY 64 -11.053 5.373 -5.855 490 HA3 GLY 64 HA2 GLY 64 -11.359 7.062 -6.241 491 H LEU 65 H LEU 65 -9.008 8.198 -5.423 492 HA LEU 65 HA LEU 65 -6.881 6.691 -6.783 493 HB2 LEU 65 HB2 LEU 65 -7.014 9.700 -6.873 494 HB3 LEU 65 HB3 LEU 65 -5.965 8.619 -7.779 495 HG LEU 65 HG LEU 65 -8.944 8.722 -8.170 496 HD11 LEU 65 HD11 LEU 65 -8.469 10.043 -10.187 497 HD12 LEU 65 HD12 LEU 65 -8.023 10.900 -8.712 498 HD13 LEU 65 HD13 LEU 65 -6.776 10.146 -9.705 499 HD21 LEU 65 HD21 LEU 65 -6.712 7.585 -9.844 500 HD22 LEU 65 HD22 LEU 65 -7.880 6.660 -8.898 501 HD23 LEU 65 HD23 LEU 65 -8.420 7.610 -10.283 502 H LEU 66 H LEU 66 -5.167 6.406 -5.572 503 HA LEU 66 HA LEU 66 -5.231 7.711 -2.937 504 HB2 LEU 66 HB2 LEU 66 -3.956 5.080 -3.709 505 HB3 LEU 66 HB3 LEU 66 -4.255 5.671 -2.089 506 HG LEU 66 HG LEU 66 -6.720 5.429 -2.499 507 HD11 LEU 66 HD11 LEU 66 -6.824 5.557 -4.913 508 HD12 LEU 66 HD12 LEU 66 -5.836 4.101 -5.058 509 HD13 LEU 66 HD13 LEU 66 -7.460 4.003 -4.370 510 HD21 LEU 66 HD21 LEU 66 -4.915 3.485 -1.845 511 HD22 LEU 66 HD22 LEU 66 -6.673 3.331 -1.741 512 HD23 LEU 66 HD23 LEU 66 -5.826 2.753 -3.180 513 H TYR 67 H TYR 67 -3.672 9.263 -2.709 514 HA TYR 67 HA TYR 67 -1.075 8.689 -3.898 515 HB2 TYR 67 HB2 TYR 67 -0.835 10.818 -4.928 516 HB3 TYR 67 HB3 TYR 67 -2.386 10.183 -5.458 517 HD1 TYR 67 HD1 TYR 67 -4.477 11.040 -4.313 518 HD2 TYR 67 HD2 TYR 67 -0.691 12.930 -3.898 519 HE1 TYR 67 HE1 TYR 67 -5.594 13.092 -3.557 520 HE2 TYR 67 HE2 TYR 67 -1.798 14.991 -3.141 521 HH TYR 67 HH TYR 67 -4.000 16.079 -3.303 522 H GLY 68 H GLY 68 0.655 9.822 -2.860 523 HA2 GLY 68 HA3 GLY 68 -0.010 11.227 -0.418 524 HA3 GLY 68 HA2 GLY 68 0.694 9.628 -0.197 525 H SER 69 H SER 69 1.540 12.617 0.081 526 HA SER 69 HA SER 69 4.220 11.977 -0.762 527 HB2 SER 69 HB2 SER 69 2.853 14.453 -1.789 528 HB3 SER 69 HB3 SER 69 4.563 14.066 -2.008 529 HG SER 69 HG SER 69 3.424 11.940 -2.813 530 H GLN 70 H GLN 70 2.208 14.507 0.707 531 HA GLN 70 HA GLN 70 4.573 15.707 1.893 532 HB2 GLN 70 HB2 GLN 70 1.681 16.512 2.169 533 HB3 GLN 70 HB3 GLN 70 3.068 17.451 2.695 534 HG2 GLN 70 HG2 GLN 70 3.811 17.647 0.376 535 HG3 GLN 70 HG3 GLN 70 2.405 16.719 -0.147 536 HE21 GLN 70 HE21 GLN 70 3.540 19.737 1.114 537 HE22 GLN 70 HE22 GLN 70 2.097 20.645 0.815 538 H THR 71 H THR 71 1.634 14.138 3.043 539 HA THR 71 HA THR 71 2.792 13.991 5.741 540 HB THR 71 HB THR 71 -0.104 14.702 5.275 541 HG1 THR 71 HG1 THR 71 0.473 16.688 4.871 542 HG21 THR 71 HG21 THR 71 0.052 15.576 7.576 543 HG22 THR 71 HG22 THR 71 1.733 15.047 7.650 544 HG23 THR 71 HG23 THR 71 0.441 13.857 7.496 545 HA PRO 72 HA PRO 72 0.176 10.271 5.559 546 HB2 PRO 72 HB2 PRO 72 1.245 8.924 7.612 547 HB3 PRO 72 HB3 PRO 72 2.136 9.146 6.099 548 HG2 PRO 72 HG2 PRO 72 2.654 10.332 8.733 549 HG3 PRO 72 HG3 PRO 72 3.712 10.257 7.317 550 HD2 PRO 72 HD2 PRO 72 1.968 12.447 8.213 551 HD3 PRO 72 HD3 PRO 72 3.280 12.477 7.013 552 H ASN 73 H ASN 73 -1.836 10.901 6.173 553 HA ASN 73 HA ASN 73 -2.374 11.733 8.957 554 HB2 ASN 73 HB2 ASN 73 -3.222 13.214 7.136 555 HB3 ASN 73 HB3 ASN 73 -4.093 11.853 6.442 556 HD21 ASN 73 HD21 ASN 73 -6.076 12.836 6.611 557 HD22 ASN 73 HD22 ASN 73 -6.870 13.063 8.136 558 H GLU 74 H GLU 74 -4.723 10.501 9.721 559 HA GLU 74 HA GLU 74 -4.312 7.961 8.314 560 HB2 GLU 74 HB2 GLU 74 -6.211 8.525 10.607 561 HB3 GLU 74 HB3 GLU 74 -5.835 6.949 9.929 562 HG2 GLU 74 HG2 GLU 74 -4.502 6.890 11.759 563 HG3 GLU 74 HG3 GLU 74 -3.380 7.624 10.616 564 H GLU 75 H GLU 75 -4.895 8.874 6.571 565 HA GLU 75 HA GLU 75 -7.527 7.835 5.909 566 HB2 GLU 75 HB2 GLU 75 -5.681 9.628 4.322 567 HB3 GLU 75 HB3 GLU 75 -7.277 9.076 3.798 568 HG2 GLU 75 HG2 GLU 75 -8.351 10.420 5.471 569 HG3 GLU 75 HG3 GLU 75 -6.798 10.844 6.192 570 H CYS 76 H CYS 76 -4.118 7.864 6.056 571 HA CYS 76 HA CYS 76 -3.352 6.317 3.894 572 HB2 CYS 76 HB2 CYS 76 -1.926 7.754 5.401 573 HB3 CYS 76 HB3 CYS 76 -1.978 6.437 6.568 574 HG CYS 76 HG CYS 76 0.095 5.266 5.625 575 H LEU 77 H LEU 77 -4.936 5.378 6.830 576 HA LEU 77 HA LEU 77 -3.779 2.712 6.742 577 HB2 LEU 77 HB2 LEU 77 -5.157 2.379 8.871 578 HB3 LEU 77 HB3 LEU 77 -3.737 3.393 8.940 579 HG LEU 77 HG LEU 77 -5.247 5.395 8.804 580 HD11 LEU 77 HD11 LEU 77 -7.605 5.096 9.358 581 HD12 LEU 77 HD12 LEU 77 -7.211 4.341 7.813 582 HD13 LEU 77 HD13 LEU 77 -7.412 3.346 9.256 583 HD21 LEU 77 HD21 LEU 77 -4.316 4.639 10.909 584 HD22 LEU 77 HD22 LEU 77 -5.965 5.218 11.146 585 HD23 LEU 77 HD23 LEU 77 -5.637 3.486 11.103 586 H PHE 78 H PHE 78 -4.938 0.841 6.539 587 HA PHE 78 HA PHE 78 -7.711 1.145 5.677 588 HB2 PHE 78 HB2 PHE 78 -6.076 -0.805 4.131 589 HB3 PHE 78 HB3 PHE 78 -7.446 0.156 3.633 590 HD1 PHE 78 HD2 PHE 78 -7.015 2.730 3.477 591 HD2 PHE 78 HD1 PHE 78 -3.976 -0.239 3.283 592 HE1 PHE 78 HE2 PHE 78 -5.563 4.305 2.286 593 HE2 PHE 78 HE1 PHE 78 -2.512 1.343 2.088 594 HZ PHE 78 HZ PHE 78 -3.313 3.627 1.588 595 H LEU 79 H LEU 79 -8.821 -1.028 5.590 596 HA LEU 79 HA LEU 79 -7.997 -2.577 7.924 597 HB2 LEU 79 HB2 LEU 79 -10.393 -1.718 7.406 598 HB3 LEU 79 HB3 LEU 79 -10.467 -3.044 6.263 599 HG LEU 79 HG LEU 79 -9.871 -3.481 9.190 600 HD11 LEU 79 HD11 LEU 79 -12.554 -3.520 7.813 601 HD12 LEU 79 HD12 LEU 79 -12.235 -4.006 9.478 602 HD13 LEU 79 HD13 LEU 79 -12.014 -2.324 8.991 603 HD21 LEU 79 HD21 LEU 79 -10.947 -5.300 7.033 604 HD22 LEU 79 HD22 LEU 79 -9.304 -5.318 7.672 605 HD23 LEU 79 HD23 LEU 79 -10.663 -5.742 8.716 606 H GLU 80 H GLU 80 -7.232 -4.657 7.785 607 HA GLU 80 HA GLU 80 -6.489 -5.445 5.056 608 HB2 GLU 80 HB2 GLU 80 -4.628 -5.133 6.587 609 HB3 GLU 80 HB3 GLU 80 -5.324 -6.299 7.706 610 HG2 GLU 80 HG2 GLU 80 -5.100 -8.040 5.958 611 HG3 GLU 80 HG3 GLU 80 -4.290 -6.859 4.936 612 H ARG 81 H ARG 81 -7.664 -6.939 4.110 613 HA ARG 81 HA ARG 81 -8.388 -9.317 5.646 614 HB2 ARG 81 HB2 ARG 81 -10.419 -7.895 5.265 615 HB3 ARG 81 HB3 ARG 81 -10.142 -8.035 3.535 616 HG2 ARG 81 HG2 ARG 81 -10.478 -10.422 3.636 617 HG3 ARG 81 HG3 ARG 81 -10.647 -10.347 5.391 618 HD2 ARG 81 HD2 ARG 81 -12.623 -8.882 5.089 619 HD3 ARG 81 HD3 ARG 81 -12.481 -9.103 3.344 620 HE ARG 81 HE ARG 81 -12.622 -11.570 4.815 621 HH11 ARG 81 HH12 ARG 81 -14.545 -8.996 3.410 622 HH12 ARG 81 HH11 ARG 81 -15.929 -10.012 3.129 623 HH21 ARG 81 HH22 ARG 81 -14.448 -12.894 4.488 624 HH22 ARG 81 HH21 ARG 81 -15.869 -12.231 3.730 625 H LEU 82 H LEU 82 -7.032 -10.783 4.793 626 HA LEU 82 HA LEU 82 -6.131 -10.404 2.051 627 HB2 LEU 82 HB2 LEU 82 -4.462 -12.220 2.737 628 HB3 LEU 82 HB3 LEU 82 -4.299 -10.636 3.466 629 HG LEU 82 HG LEU 82 -5.892 -12.650 4.962 630 HD11 LEU 82 HD11 LEU 82 -3.994 -13.977 4.221 631 HD12 LEU 82 HD12 LEU 82 -2.882 -12.718 4.756 632 HD13 LEU 82 HD13 LEU 82 -3.845 -13.604 5.939 633 HD21 LEU 82 HD21 LEU 82 -3.855 -10.569 5.753 634 HD22 LEU 82 HD22 LEU 82 -5.608 -10.392 5.833 635 HD23 LEU 82 HD23 LEU 82 -4.792 -11.565 6.866 636 H GLU 83 H GLU 83 -7.397 -11.364 0.593 637 HA GLU 83 HA GLU 83 -8.157 -14.147 1.128 638 HB2 GLU 83 HB2 GLU 83 -9.899 -11.917 0.229 639 HB3 GLU 83 HB3 GLU 83 -10.152 -13.485 -0.525 640 HG2 GLU 83 HG2 GLU 83 -10.209 -12.946 2.436 641 HG3 GLU 83 HG3 GLU 83 -11.621 -13.131 1.396 642 H GLU 84 H GLU 84 -6.445 -14.929 -0.083 643 HA GLU 84 HA GLU 84 -7.587 -15.485 -2.674 644 HB2 GLU 84 HB2 GLU 84 -5.341 -13.858 -2.621 645 HB3 GLU 84 HB3 GLU 84 -4.655 -15.465 -2.813 646 HG2 GLU 84 HG2 GLU 84 -6.651 -14.108 -4.609 647 HG3 GLU 84 HG3 GLU 84 -4.972 -14.502 -4.974 648 H ASN 85 H ASN 85 -5.154 -17.214 -3.180 649 HA ASN 85 HA ASN 85 -5.233 -18.915 -0.805 650 HB2 ASN 85 HB2 ASN 85 -5.110 -19.887 -3.175 651 HB3 ASN 85 HB3 ASN 85 -3.453 -19.290 -3.224 652 HD21 ASN 85 HD21 ASN 85 -4.426 -22.018 -3.361 653 HD22 ASN 85 HD22 ASN 85 -3.685 -22.868 -2.047 654 H HIS 86 H HIS 86 -4.558 -16.739 0.160 655 HA HIS 86 HA HIS 86 -2.988 -15.869 1.577 656 HB2 HIS 86 HB2 HIS 86 -1.057 -17.599 0.061 657 HB3 HIS 86 HB3 HIS 86 -0.488 -16.343 1.155 658 HD1 HIS 86 HD1 HIS 86 -0.829 -16.709 3.672 659 HD2 HIS 86 HD2 HIS 86 -2.217 -19.830 1.297 660 HE1 HIS 86 HE1 HIS 86 -1.245 -18.630 5.245 661 HE2 HIS 86 HE2 HIS 86 -1.968 -20.545 3.773 662 H TYR 87 H TYR 87 -4.087 -14.309 -0.089 663 HA TYR 87 HA TYR 87 -1.890 -12.492 -0.766 664 HB2 TYR 87 HB2 TYR 87 -4.232 -13.181 -2.511 665 HB3 TYR 87 HB3 TYR 87 -3.499 -11.586 -2.601 666 HD1 TYR 87 HD2 TYR 87 -2.919 -15.183 -3.113 667 HD2 TYR 87 HD1 TYR 87 -1.397 -11.257 -3.710 668 HE1 TYR 87 HE2 TYR 87 -1.216 -16.083 -4.637 669 HE2 TYR 87 HE1 TYR 87 0.312 -12.149 -5.237 670 HH TYR 87 HH TYR 87 1.379 -14.083 -5.867 671 H ASN 88 H ASN 88 -2.297 -10.341 -0.325 672 HA ASN 88 HA ASN 88 -4.316 -10.036 1.765 673 HB2 ASN 88 HB2 ASN 88 -1.856 -8.445 1.008 674 HB3 ASN 88 HB3 ASN 88 -2.974 -7.957 2.272 675 HD21 ASN 88 HD21 ASN 88 -2.916 -8.970 4.230 676 HD22 ASN 88 HD22 ASN 88 -1.720 -10.137 4.661 677 H THR 89 H THR 89 -5.920 -8.649 1.685 678 HA THR 89 HA THR 89 -6.103 -6.858 -0.634 679 HB THR 89 HB THR 89 -8.487 -8.105 0.739 680 HG1 THR 89 HG1 THR 89 -7.334 -9.130 -1.656 681 HG21 THR 89 HG21 THR 89 -8.923 -6.175 -0.692 682 HG22 THR 89 HG22 THR 89 -9.555 -7.638 -1.448 683 HG23 THR 89 HG23 THR 89 -8.038 -6.935 -2.017 684 H TYR 90 H TYR 90 -7.365 -4.873 -0.119 685 HA TYR 90 HA TYR 90 -7.403 -4.354 2.769 686 HB2 TYR 90 HB2 TYR 90 -6.163 -2.581 0.662 687 HB3 TYR 90 HB3 TYR 90 -6.500 -2.057 2.309 688 HD1 TYR 90 HD1 TYR 90 -5.499 -3.683 4.178 689 HD2 TYR 90 HD2 TYR 90 -4.048 -3.362 0.195 690 HE1 TYR 90 HE1 TYR 90 -3.320 -4.561 4.908 691 HE2 TYR 90 HE2 TYR 90 -1.868 -4.239 0.912 692 HH TYR 90 HH TYR 90 -0.535 -4.477 2.878 693 H ILE 91 H ILE 91 -9.010 -3.157 3.537 694 HA ILE 91 HA ILE 91 -11.070 -2.206 1.688 695 HB ILE 91 HB ILE 91 -11.322 -2.067 4.649 696 HG12 ILE 91 HG12 ILE 91 -11.498 -4.622 3.064 697 HG13 ILE 91 HG13 ILE 91 -10.372 -4.218 4.359 698 HG21 ILE 91 HG21 ILE 91 -13.137 -1.214 3.290 699 HG22 ILE 91 HG22 ILE 91 -13.258 -2.753 2.439 700 HG23 ILE 91 HG23 ILE 91 -13.671 -2.656 4.151 701 HD11 ILE 91 HD11 ILE 91 -12.135 -5.733 5.115 702 HD12 ILE 91 HD12 ILE 91 -12.192 -4.186 5.962 703 HD13 ILE 91 HD13 ILE 91 -13.348 -4.531 4.675 704 H SER 92 H SER 92 -11.704 -0.026 1.835 705 HA SER 92 HA SER 92 -9.436 1.616 2.516 706 HB2 SER 92 HB2 SER 92 -10.781 3.383 1.292 707 HB3 SER 92 HB3 SER 92 -10.343 1.977 0.324 708 HG SER 92 HG SER 92 -12.714 2.939 0.640 709 H LYS 93 H LYS 93 -9.429 1.853 4.653 710 HA LYS 93 HA LYS 93 -11.745 2.098 6.233 711 HB2 LYS 93 HB2 LYS 93 -8.948 1.864 6.613 712 HB3 LYS 93 HB3 LYS 93 -9.484 3.256 7.545 713 HG2 LYS 93 HG2 LYS 93 -11.211 1.829 8.583 714 HG3 LYS 93 HG3 LYS 93 -10.517 0.443 7.731 715 HD2 LYS 93 HD2 LYS 93 -8.502 0.572 8.925 716 HD3 LYS 93 HD3 LYS 93 -8.849 2.202 9.503 717 HE2 LYS 93 HE2 LYS 93 -10.455 -0.228 10.272 718 HE3 LYS 93 HE3 LYS 93 -9.102 0.392 11.217 719 HZ1 LYS 93 HZ1 LYS 93 -10.319 2.534 11.345 720 HZ2 LYS 93 HZ2 LYS 93 -11.105 1.255 12.129 721 HZ3 LYS 93 HZ3 LYS 93 -11.656 1.785 10.615 722 H LYS 94 H LYS 94 -10.279 4.364 4.263 723 HA LYS 94 HA LYS 94 -10.952 6.763 5.607 724 HB2 LYS 94 HB2 LYS 94 -9.487 6.815 3.644 725 HB3 LYS 94 HB3 LYS 94 -10.771 6.165 2.638 726 HG2 LYS 94 HG2 LYS 94 -10.625 8.479 2.155 727 HG3 LYS 94 HG3 LYS 94 -12.087 8.234 3.135 728 HD2 LYS 94 HD2 LYS 94 -10.781 8.859 5.167 729 HD3 LYS 94 HD3 LYS 94 -9.431 9.276 4.112 730 HE2 LYS 94 HE2 LYS 94 -12.169 10.493 3.849 731 HE3 LYS 94 HE3 LYS 94 -10.897 11.192 4.848 732 HZ1 LYS 94 HZ1 LYS 94 -11.024 12.177 2.623 733 HZ2 LYS 94 HZ2 LYS 94 -10.654 10.672 1.939 734 HZ3 LYS 94 HZ3 LYS 94 -9.519 11.453 2.926 735 H HIS 95 H HIS 95 -12.594 5.442 2.746 736 HA HIS 95 HA HIS 95 -15.146 6.057 3.999 737 HB2 HIS 95 HB2 HIS 95 -14.421 5.213 1.198 738 HB3 HIS 95 HB3 HIS 95 -16.089 5.328 1.751 739 HD1 HIS 95 HD1 HIS 95 -13.108 7.431 0.881 740 HD2 HIS 95 HD2 HIS 95 -17.078 7.921 2.036 741 HE1 HIS 95 HE1 HIS 95 -13.630 9.856 0.515 742 HE2 HIS 95 HE2 HIS 95 -16.067 10.111 1.105 743 H ALA 96 H ALA 96 -13.867 4.084 5.365 744 HA ALA 96 HA ALA 96 -14.294 1.448 4.549 745 HB1 ALA 96 HB1 ALA 96 -14.150 0.836 6.910 746 HB2 ALA 96 HB2 ALA 96 -12.923 2.030 6.485 747 HB3 ALA 96 HB3 ALA 96 -14.368 2.526 7.367 748 H GLU 97 H GLU 97 -16.424 3.740 6.033 749 HA GLU 97 HA GLU 97 -18.553 2.248 6.873 750 HB2 GLU 97 HB2 GLU 97 -19.935 4.258 6.240 751 HB3 GLU 97 HB3 GLU 97 -18.522 4.604 7.229 752 HG2 GLU 97 HG2 GLU 97 -17.313 5.439 5.368 753 HG3 GLU 97 HG3 GLU 97 -18.525 4.844 4.235 754 H LYS 98 H LYS 98 -17.640 2.990 3.556 755 HA LYS 98 HA LYS 98 -20.240 2.047 2.597 756 HB2 LYS 98 HB2 LYS 98 -17.951 3.241 1.032 757 HB3 LYS 98 HB3 LYS 98 -19.589 2.972 0.453 758 HG2 LYS 98 HG2 LYS 98 -20.377 4.570 2.215 759 HG3 LYS 98 HG3 LYS 98 -18.682 4.938 2.538 760 HD2 LYS 98 HD2 LYS 98 -18.435 5.555 0.134 761 HD3 LYS 98 HD3 LYS 98 -20.177 5.344 -0.047 762 HE2 LYS 98 HE2 LYS 98 -18.728 7.355 1.663 763 HE3 LYS 98 HE3 LYS 98 -19.759 7.669 0.269 764 HZ1 LYS 98 HZ1 LYS 98 -21.574 6.559 1.667 765 HZ2 LYS 98 HZ2 LYS 98 -21.107 8.134 2.069 766 HZ3 LYS 98 HZ3 LYS 98 -20.542 6.828 2.992 767 H ASN 99 H ASN 99 -17.236 0.738 3.236 768 HA ASN 99 HA ASN 99 -16.529 -1.408 3.033 769 HB2 ASN 99 HB2 ASN 99 -19.053 -1.921 2.897 770 HB3 ASN 99 HB3 ASN 99 -18.799 -2.062 1.161 771 HD21 ASN 99 HD21 ASN 99 -17.822 -3.876 0.353 772 HD22 ASN 99 HD22 ASN 99 -17.358 -5.231 1.326 773 H TRP 100 H TRP 100 -15.872 0.805 1.194 774 HA TRP 100 HA TRP 100 -15.568 -0.316 -1.427 775 HB2 TRP 100 HB2 TRP 100 -15.661 2.210 -0.481 776 HB3 TRP 100 HB3 TRP 100 -13.922 2.009 -0.616 777 HD1 TRP 100 HD1 TRP 100 -15.842 0.170 -3.283 778 HE1 TRP 100 HE1 TRP 100 -15.603 1.429 -5.523 779 HE3 TRP 100 HE3 TRP 100 -13.759 4.481 -1.563 780 HZ2 TRP 100 HZ2 TRP 100 -14.653 3.945 -6.428 781 HZ3 TRP 100 HZ3 TRP 100 -13.202 6.258 -3.165 782 HH2 TRP 100 HH2 TRP 100 -13.629 6.011 -5.523 783 H PHE 101 H PHE 101 -13.258 -0.246 -2.442 784 HA PHE 101 HA PHE 101 -11.619 -1.880 -0.614 785 HB2 PHE 101 HB2 PHE 101 -11.919 -1.955 -3.610 786 HB3 PHE 101 HB3 PHE 101 -10.593 -2.748 -2.778 787 HD1 PHE 101 HD1 PHE 101 -14.178 -2.785 -3.454 788 HD2 PHE 101 HD2 PHE 101 -10.955 -4.749 -1.490 789 HE1 PHE 101 HE1 PHE 101 -15.608 -4.750 -3.078 790 HE2 PHE 101 HE2 PHE 101 -12.377 -6.720 -1.121 791 HZ PHE 101 HZ PHE 101 -14.623 -6.810 -2.114 792 H VAL 102 H VAL 102 -9.431 -1.519 -0.459 793 HA VAL 102 HA VAL 102 -8.418 0.981 -1.560 794 HB VAL 102 HB VAL 102 -7.110 -1.108 0.196 795 HG11 VAL 102 HG11 VAL 102 -5.422 -0.105 -1.245 796 HG12 VAL 102 HG12 VAL 102 -5.979 1.508 -0.801 797 HG13 VAL 102 HG13 VAL 102 -5.236 0.468 0.414 798 HG21 VAL 102 HG21 VAL 102 -8.006 1.708 0.738 799 HG22 VAL 102 HG22 VAL 102 -8.776 0.232 1.320 800 HG23 VAL 102 HG23 VAL 102 -7.160 0.661 1.879 801 H GLY 103 H GLY 103 -7.613 0.997 -3.541 802 HA2 GLY 103 HA3 GLY 103 -6.331 -1.480 -4.460 803 HA3 GLY 103 HA2 GLY 103 -7.312 -0.505 -5.517 804 H LEU 104 H LEU 104 -4.475 -1.383 -5.127 805 HA LEU 104 HA LEU 104 -3.251 1.195 -5.761 806 HB2 LEU 104 HB2 LEU 104 -2.162 1.067 -3.825 807 HB3 LEU 104 HB3 LEU 104 -2.762 -0.550 -3.524 808 HG LEU 104 HG LEU 104 -0.897 -1.324 -5.102 809 HD11 LEU 104 HD11 LEU 104 0.145 1.414 -4.378 810 HD12 LEU 104 HD12 LEU 104 1.084 0.117 -5.120 811 HD13 LEU 104 HD13 LEU 104 -0.260 0.848 -5.999 812 HD21 LEU 104 HD21 LEU 104 -0.347 -0.157 -2.398 813 HD22 LEU 104 HD22 LEU 104 -0.979 -1.766 -2.748 814 HD23 LEU 104 HD23 LEU 104 0.664 -1.340 -3.228 815 H LYS 105 H LYS 105 -2.482 1.059 -7.817 816 HA LYS 105 HA LYS 105 -1.504 -1.610 -8.591 817 HB2 LYS 105 HB2 LYS 105 -2.928 0.158 -10.062 818 HB3 LYS 105 HB3 LYS 105 -1.297 0.645 -10.501 819 HG2 LYS 105 HG2 LYS 105 -1.626 -2.229 -10.619 820 HG3 LYS 105 HG3 LYS 105 -2.789 -1.388 -11.644 821 HD2 LYS 105 HD2 LYS 105 0.184 -0.889 -11.685 822 HD3 LYS 105 HD3 LYS 105 -0.651 -1.989 -12.781 823 HE2 LYS 105 HE2 LYS 105 -2.030 -0.101 -13.575 824 HE3 LYS 105 HE3 LYS 105 -1.120 0.981 -12.523 825 HZ1 LYS 105 HZ1 LYS 105 0.907 0.268 -13.763 826 HZ2 LYS 105 HZ2 LYS 105 -0.199 1.143 -14.689 827 HZ3 LYS 105 HZ3 LYS 105 -0.096 -0.539 -14.860 828 H LYS 106 H LYS 106 0.367 -1.908 -7.565 829 HA LYS 106 HA LYS 106 2.283 0.143 -7.290 830 HB2 LYS 106 HB2 LYS 106 3.593 -1.351 -6.179 831 HB3 LYS 106 HB3 LYS 106 2.109 -2.297 -6.139 832 HG2 LYS 106 HG2 LYS 106 2.819 -3.628 -7.993 833 HG3 LYS 106 HG3 LYS 106 4.206 -2.577 -8.283 834 HD2 LYS 106 HD2 LYS 106 5.153 -3.234 -6.130 835 HD3 LYS 106 HD3 LYS 106 3.760 -4.274 -5.832 836 HE2 LYS 106 HE2 LYS 106 5.566 -4.596 -8.217 837 HE3 LYS 106 HE3 LYS 106 5.860 -5.409 -6.687 838 HZ1 LYS 106 HZ1 LYS 106 3.353 -5.685 -8.248 839 HZ2 LYS 106 HZ2 LYS 106 3.828 -6.594 -6.900 840 HZ3 LYS 106 HZ3 LYS 106 4.659 -6.759 -8.363 841 H ASN 107 H ASN 107 1.591 -2.217 -9.792 842 HA ASN 107 HA ASN 107 4.119 -1.809 -11.034 843 HB2 ASN 107 HB2 ASN 107 2.621 -3.799 -11.412 844 HB3 ASN 107 HB3 ASN 107 1.581 -2.745 -12.376 845 HD21 ASN 107 HD21 ASN 107 2.123 -2.281 -14.436 846 HD22 ASN 107 HD22 ASN 107 3.548 -2.861 -15.229 847 H GLY 108 H GLY 108 1.408 0.117 -10.706 848 HA2 GLY 108 HA3 GLY 108 2.522 1.963 -12.724 849 HA3 GLY 108 HA2 GLY 108 0.799 1.896 -12.362 850 H SER 109 H SER 109 0.085 2.458 -10.442 851 HA SER 109 HA SER 109 1.536 4.037 -8.527 852 HB2 SER 109 HB2 SER 109 -0.624 5.428 -10.144 853 HB3 SER 109 HB3 SER 109 0.500 6.151 -8.995 854 HG SER 109 HG SER 109 2.011 6.238 -10.500 855 H CYS 110 H CYS 110 -0.182 4.628 -6.710 856 HA CYS 110 HA CYS 110 -2.045 2.369 -6.744 857 HB2 CYS 110 HB2 CYS 110 -0.771 2.651 -4.737 858 HB3 CYS 110 HB3 CYS 110 -1.151 4.365 -4.660 859 HG CYS 110 HG CYS 110 -2.415 2.935 -2.572 860 H LYS 111 H LYS 111 -3.720 2.988 -8.076 861 HA LYS 111 HA LYS 111 -5.522 4.947 -6.946 862 HB2 LYS 111 HB2 LYS 111 -6.013 5.080 -9.665 863 HB3 LYS 111 HB3 LYS 111 -5.236 6.315 -8.691 864 HG2 LYS 111 HG2 LYS 111 -3.877 5.912 -10.627 865 HG3 LYS 111 HG3 LYS 111 -3.032 5.283 -9.218 866 HD2 LYS 111 HD2 LYS 111 -2.748 3.667 -10.938 867 HD3 LYS 111 HD3 LYS 111 -3.944 2.994 -9.834 868 HE2 LYS 111 HE2 LYS 111 -4.710 2.615 -12.070 869 HE3 LYS 111 HE3 LYS 111 -5.729 3.859 -11.353 870 HZ1 LYS 111 HZ1 LYS 111 -4.226 5.512 -12.496 871 HZ2 LYS 111 HZ2 LYS 111 -5.226 4.592 -13.510 872 HZ3 LYS 111 HZ3 LYS 111 -3.584 4.204 -13.367 873 H ARG 112 H ARG 112 -7.038 3.200 -6.211 874 HA ARG 112 HA ARG 112 -8.390 2.328 -8.661 875 HB2 ARG 112 HB2 ARG 112 -8.170 0.419 -6.350 876 HB3 ARG 112 HB3 ARG 112 -8.855 0.109 -7.932 877 HG2 ARG 112 HG2 ARG 112 -5.951 0.693 -7.415 878 HG3 ARG 112 HG3 ARG 112 -6.637 -0.934 -7.524 879 HD2 ARG 112 HD2 ARG 112 -6.298 1.131 -9.667 880 HD3 ARG 112 HD3 ARG 112 -5.693 -0.517 -9.623 881 HE ARG 112 HE ARG 112 -8.063 -1.204 -9.947 882 HH11 ARG 112 HH12 ARG 112 -7.157 2.074 -10.698 883 HH12 ARG 112 HH11 ARG 112 -8.174 2.184 -12.111 884 HH21 ARG 112 HH22 ARG 112 -9.420 -1.070 -11.829 885 HH22 ARG 112 HH21 ARG 112 -9.434 0.395 -12.760 886 H GLY 113 H GLY 113 -9.950 4.125 -8.086 887 HA2 GLY 113 HA3 GLY 113 -11.873 3.137 -6.120 888 HA3 GLY 113 HA2 GLY 113 -12.023 4.605 -7.092 889 HA PRO 114 HA PRO 114 -14.548 3.050 -10.347 890 HB2 PRO 114 HB2 PRO 114 -12.104 2.382 -11.947 891 HB3 PRO 114 HB3 PRO 114 -13.611 3.150 -12.467 892 HG2 PRO 114 HG2 PRO 114 -11.439 4.609 -11.967 893 HG3 PRO 114 HG3 PRO 114 -13.055 5.189 -11.530 894 HD2 PRO 114 HD2 PRO 114 -10.868 4.222 -9.791 895 HD3 PRO 114 HD3 PRO 114 -12.218 5.309 -9.413 896 H ARG 115 H ARG 115 -11.664 0.913 -9.960 897 HA ARG 115 HA ARG 115 -13.544 -1.327 -10.252 898 HB2 ARG 115 HB2 ARG 115 -10.938 -0.922 -11.634 899 HB3 ARG 115 HB3 ARG 115 -11.429 -2.557 -11.220 900 HG2 ARG 115 HG2 ARG 115 -12.154 -2.232 -13.419 901 HG3 ARG 115 HG3 ARG 115 -13.603 -2.057 -12.429 902 HD2 ARG 115 HD2 ARG 115 -13.356 0.385 -12.535 903 HD3 ARG 115 HD3 ARG 115 -11.932 0.187 -13.555 904 HE ARG 115 HE ARG 115 -14.599 -0.788 -14.379 905 HH11 ARG 115 HH12 ARG 115 -11.660 1.010 -15.007 906 HH12 ARG 115 HH11 ARG 115 -12.088 1.398 -16.645 907 HH21 ARG 115 HH22 ARG 115 -15.160 -0.300 -16.529 908 HH22 ARG 115 HH21 ARG 115 -14.078 0.626 -17.516 909 H THR 116 H THR 116 -12.080 -0.035 -7.785 910 HA THR 116 HA THR 116 -10.765 -2.253 -6.681 911 HB THR 116 HB THR 116 -11.986 -1.213 -4.505 912 HG1 THR 116 HG1 THR 116 -11.585 1.189 -5.193 913 HG21 THR 116 HG21 THR 116 -9.890 0.010 -4.203 914 HG22 THR 116 HG22 THR 116 -9.518 -0.186 -5.916 915 HG23 THR 116 HG23 THR 116 -9.599 -1.599 -4.860 916 H HIS 117 H HIS 117 -11.403 -4.102 -6.497 917 HA HIS 117 HA HIS 117 -13.417 -5.489 -5.420 918 HB2 HIS 117 HB2 HIS 117 -15.033 -4.102 -6.797 919 HB3 HIS 117 HB3 HIS 117 -14.180 -4.593 -8.250 920 HD1 HIS 117 HD1 HIS 117 -16.555 -5.891 -5.632 921 HD2 HIS 117 HD2 HIS 117 -14.920 -7.060 -9.279 922 HE1 HIS 117 HE1 HIS 117 -17.850 -7.930 -6.344 923 HE2 HIS 117 HE2 HIS 117 -16.968 -8.503 -8.632 924 H TYR 118 H TYR 118 -13.356 -7.784 -6.960 925 HA TYR 118 HA TYR 118 -10.695 -7.590 -8.101 926 HB2 TYR 118 HB2 TYR 118 -12.624 -9.868 -7.776 927 HB3 TYR 118 HB3 TYR 118 -11.252 -10.019 -8.876 928 HD1 TYR 118 HD2 TYR 118 -8.949 -9.227 -7.816 929 HD2 TYR 118 HD1 TYR 118 -12.308 -10.566 -5.577 930 HE1 TYR 118 HE2 TYR 118 -7.470 -9.734 -5.920 931 HE2 TYR 118 HE1 TYR 118 -10.837 -11.078 -3.669 932 HH TYR 118 HH TYR 118 -8.454 -11.566 -3.233 933 H GLY 119 H GLY 119 -11.253 -5.923 -9.338 934 HA2 GLY 119 HA3 GLY 119 -12.342 -6.598 -11.966 935 HA3 GLY 119 HA2 GLY 119 -12.044 -4.959 -11.357 936 H GLN 120 H GLN 120 -9.638 -5.700 -10.082 937 HA GLN 120 HA GLN 120 -7.788 -6.009 -12.340 938 HB2 GLN 120 HB2 GLN 120 -7.924 -3.720 -10.357 939 HB3 GLN 120 HB3 GLN 120 -6.501 -4.051 -11.345 940 HG2 GLN 120 HG2 GLN 120 -9.250 -3.436 -12.412 941 HG3 GLN 120 HG3 GLN 120 -7.947 -2.264 -12.241 942 HE21 GLN 120 HE21 GLN 120 -5.886 -4.173 -13.053 943 HE22 GLN 120 HE22 GLN 120 -6.063 -4.357 -14.760 944 H LYS 121 H LYS 121 -5.783 -6.888 -11.750 945 HA LYS 121 HA LYS 121 -5.711 -8.206 -9.182 946 HB2 LYS 121 HB2 LYS 121 -3.930 -8.238 -11.595 947 HB3 LYS 121 HB3 LYS 121 -3.357 -8.901 -10.071 948 HG2 LYS 121 HG2 LYS 121 -4.227 -10.697 -11.365 949 HG3 LYS 121 HG3 LYS 121 -5.360 -10.390 -10.050 950 HD2 LYS 121 HD2 LYS 121 -6.743 -9.054 -11.626 951 HD3 LYS 121 HD3 LYS 121 -5.643 -9.524 -12.924 952 HE2 LYS 121 HE2 LYS 121 -6.157 -11.902 -12.412 953 HE3 LYS 121 HE3 LYS 121 -7.362 -11.348 -11.250 954 HZ1 LYS 121 HZ1 LYS 121 -8.483 -10.183 -13.094 955 HZ2 LYS 121 HZ2 LYS 121 -8.421 -11.861 -13.324 956 HZ3 LYS 121 HZ3 LYS 121 -7.360 -10.852 -14.176 957 H ALA 122 H ALA 122 -5.297 -5.169 -9.848 958 HA ALA 122 HA ALA 122 -2.913 -4.561 -8.366 959 HB1 ALA 122 HB1 ALA 122 -5.262 -2.809 -9.099 960 HB2 ALA 122 HB2 ALA 122 -3.719 -2.250 -8.452 961 HB3 ALA 122 HB3 ALA 122 -3.786 -3.007 -10.045 962 H ILE 123 H ILE 123 -5.947 -5.695 -7.619 963 HA ILE 123 HA ILE 123 -6.060 -4.556 -4.939 964 HB ILE 123 HB ILE 123 -7.842 -6.710 -6.094 965 HG12 ILE 123 HG12 ILE 123 -7.882 -4.829 -7.642 966 HG13 ILE 123 HG13 ILE 123 -9.399 -4.912 -6.755 967 HG21 ILE 123 HG21 ILE 123 -9.478 -5.836 -4.492 968 HG22 ILE 123 HG22 ILE 123 -8.009 -6.381 -3.684 969 HG23 ILE 123 HG23 ILE 123 -8.295 -4.657 -3.927 970 HD11 ILE 123 HD11 ILE 123 -8.647 -2.624 -6.986 971 HD12 ILE 123 HD12 ILE 123 -8.632 -3.112 -5.291 972 HD13 ILE 123 HD13 ILE 123 -7.122 -3.027 -6.198 973 H LEU 124 H LEU 124 -4.281 -6.791 -6.420 974 HA LEU 124 HA LEU 124 -4.406 -8.832 -4.314 975 HB2 LEU 124 HB2 LEU 124 -4.435 -9.190 -6.954 976 HB3 LEU 124 HB3 LEU 124 -2.699 -9.114 -6.739 977 HG LEU 124 HG LEU 124 -2.854 -10.989 -5.117 978 HD11 LEU 124 HD11 LEU 124 -4.929 -12.275 -5.000 979 HD12 LEU 124 HD12 LEU 124 -5.158 -10.634 -4.395 980 HD13 LEU 124 HD13 LEU 124 -5.736 -11.071 -6.004 981 HD21 LEU 124 HD21 LEU 124 -4.021 -11.515 -7.849 982 HD22 LEU 124 HD22 LEU 124 -2.305 -11.413 -7.452 983 HD23 LEU 124 HD23 LEU 124 -3.286 -12.723 -6.795 984 H PHE 125 H PHE 125 -3.255 -7.870 -2.667 985 HA PHE 125 HA PHE 125 -0.674 -6.635 -3.272 986 HB2 PHE 125 HB2 PHE 125 -2.218 -6.641 -0.678 987 HB3 PHE 125 HB3 PHE 125 -0.870 -5.607 -1.109 988 HD1 PHE 125 HD2 PHE 125 -1.179 -3.897 -2.921 989 HD2 PHE 125 HD1 PHE 125 -4.415 -6.052 -1.204 990 HE1 PHE 125 HE2 PHE 125 -2.750 -2.213 -3.782 991 HE2 PHE 125 HE1 PHE 125 -5.991 -4.375 -2.064 992 HZ PHE 125 HZ PHE 125 -5.162 -2.431 -3.304 993 H LEU 126 H LEU 126 1.212 -7.147 -2.226 994 HA LEU 126 HA LEU 126 1.245 -9.378 -0.333 995 HB2 LEU 126 HB2 LEU 126 3.054 -9.070 -2.732 996 HB3 LEU 126 HB3 LEU 126 3.418 -10.124 -1.383 997 HG LEU 126 HG LEU 126 0.997 -10.393 -3.164 998 HD11 LEU 126 HD11 LEU 126 3.073 -10.862 -4.369 999 HD12 LEU 126 HD12 LEU 126 3.556 -11.991 -3.103 1000 HD13 LEU 126 HD13 LEU 126 2.143 -12.335 -4.097 1001 HD21 LEU 126 HD21 LEU 126 2.111 -12.212 -1.029 1002 HD22 LEU 126 HD22 LEU 126 0.649 -11.234 -0.894 1003 HD23 LEU 126 HD23 LEU 126 0.722 -12.553 -2.063 1004 HA PRO 127 HA PRO 127 4.041 -6.415 1.517 1005 HB2 PRO 127 HB2 PRO 127 3.675 -7.304 4.038 1006 HB3 PRO 127 HB3 PRO 127 2.406 -6.452 3.156 1007 HG2 PRO 127 HG2 PRO 127 2.531 -9.267 3.939 1008 HG3 PRO 127 HG3 PRO 127 1.144 -8.331 3.360 1009 HD2 PRO 127 HD2 PRO 127 2.934 -10.116 1.867 1010 HD3 PRO 127 HD3 PRO 127 1.351 -9.461 1.395 1011 H LEU 128 H LEU 128 6.200 -6.734 1.131 1012 HA LEU 128 HA LEU 128 7.486 -9.065 2.413 1013 HB2 LEU 128 HB2 LEU 128 8.323 -7.580 -0.080 1014 HB3 LEU 128 HB3 LEU 128 9.209 -8.903 0.652 1015 HG LEU 128 HG LEU 128 6.433 -9.118 -0.516 1016 HD11 LEU 128 HD11 LEU 128 7.517 -10.382 -2.307 1017 HD12 LEU 128 HD12 LEU 128 8.102 -8.719 -2.239 1018 HD13 LEU 128 HD13 LEU 128 9.094 -10.029 -1.597 1019 HD21 LEU 128 HD21 LEU 128 6.777 -11.531 -0.269 1020 HD22 LEU 128 HD22 LEU 128 8.317 -11.225 0.532 1021 HD23 LEU 128 HD23 LEU 128 6.812 -10.706 1.289 1022 HA PRO 129 HA PRO 129 9.602 -5.600 4.476 1023 HB2 PRO 129 HB2 PRO 129 9.936 -6.788 6.849 1024 HB3 PRO 129 HB3 PRO 129 8.360 -6.155 6.361 1025 HG2 PRO 129 HG2 PRO 129 9.350 -8.971 6.381 1026 HG3 PRO 129 HG3 PRO 129 7.748 -8.339 6.800 1027 HD2 PRO 129 HD2 PRO 129 8.429 -9.496 4.364 1028 HD3 PRO 129 HD3 PRO 129 7.029 -8.443 4.643 1029 H VAL 130 H VAL 130 11.836 -5.408 5.344 1030 HA VAL 130 HA VAL 130 13.538 -7.151 3.788 1031 HB VAL 130 HB VAL 130 14.710 -5.279 5.754 1032 HG11 VAL 130 HG11 VAL 130 15.412 -6.014 2.928 1033 HG12 VAL 130 HG12 VAL 130 16.348 -4.944 3.972 1034 HG13 VAL 130 HG13 VAL 130 16.161 -6.646 4.394 1035 HG21 VAL 130 HG21 VAL 130 14.442 -3.378 4.225 1036 HG22 VAL 130 HG22 VAL 130 13.434 -4.374 3.174 1037 HG23 VAL 130 HG23 VAL 130 12.881 -3.967 4.798 1038 H SER 131 H SER 131 14.522 -8.865 4.446 1039 HA SER 131 HA SER 131 14.089 -9.710 7.212 1040 HB2 SER 131 HB2 SER 131 14.780 -11.398 4.795 1041 HB3 SER 131 HB3 SER 131 14.257 -11.981 6.376 1042 HG SER 131 HG SER 131 12.570 -10.144 5.176 1043 H SER 132 H SER 132 15.752 -10.981 8.279 1044 HA SER 132 HA SER 132 18.429 -9.989 7.663 1045 HB2 SER 132 HB2 SER 132 17.419 -11.547 10.059 1046 HB3 SER 132 HB3 SER 132 19.019 -10.821 9.895 1047 HG SER 132 HG SER 132 18.219 -8.937 10.389 1048 H ASP 133 H ASP 133 19.555 -11.170 6.296 1049 HA ASP 133 HA ASP 133 19.448 -14.099 6.525 1050 HB2 ASP 133 HB2 ASP 133 18.064 -13.230 4.590 1051 HB3 ASP 133 HB3 ASP 133 19.552 -12.592 3.900 Start of MODEL 8 1 H1 TYR 1 H1 TYR 1 15.610 -9.472 10.553 2 H2 TYR 1 H2 TYR 1 16.190 -8.019 11.210 3 H3 TYR 1 H3 TYR 1 17.238 -9.038 10.351 4 HA TYR 1 HA TYR 1 16.570 -7.096 9.087 5 HB2 TYR 1 HB2 TYR 1 15.707 -8.384 7.053 6 HB3 TYR 1 HB3 TYR 1 17.249 -8.901 7.740 7 HD1 TYR 1 HD2 TYR 1 17.422 -11.028 8.945 8 HD2 TYR 1 HD1 TYR 1 13.764 -9.819 7.136 9 HE1 TYR 1 HE2 TYR 1 16.577 -13.327 9.127 10 HE2 TYR 1 HE1 TYR 1 12.913 -12.117 7.314 11 HH TYR 1 HH TYR 1 13.871 -14.426 7.475 12 H LYS 2 H LYS 2 14.667 -6.639 10.964 13 HA LYS 2 HA LYS 2 12.226 -6.532 9.319 14 HB2 LYS 2 HB2 LYS 2 12.655 -5.832 12.232 15 HB3 LYS 2 HB3 LYS 2 11.138 -5.632 11.373 16 HG2 LYS 2 HG2 LYS 2 11.127 -8.095 10.974 17 HG3 LYS 2 HG3 LYS 2 12.537 -8.211 12.033 18 HD2 LYS 2 HD2 LYS 2 11.249 -7.153 13.837 19 HD3 LYS 2 HD3 LYS 2 9.842 -7.084 12.780 20 HE2 LYS 2 HE2 LYS 2 9.874 -9.543 12.627 21 HE3 LYS 2 HE3 LYS 2 11.234 -9.574 13.751 22 HZ1 LYS 2 HZ1 LYS 2 8.498 -8.561 14.312 23 HZ2 LYS 2 HZ2 LYS 2 9.803 -8.444 15.387 24 HZ3 LYS 2 HZ3 LYS 2 9.207 -9.969 14.942 25 H LYS 3 H LYS 3 11.595 -4.684 8.450 26 HA LYS 3 HA LYS 3 12.381 -2.100 9.405 27 HB2 LYS 3 HB2 LYS 3 13.539 -3.214 6.842 28 HB3 LYS 3 HB3 LYS 3 13.331 -1.489 7.076 29 HG2 LYS 3 HG2 LYS 3 14.999 -3.262 8.852 30 HG3 LYS 3 HG3 LYS 3 15.627 -2.297 7.517 31 HD2 LYS 3 HD2 LYS 3 14.083 -1.096 9.808 32 HD3 LYS 3 HD3 LYS 3 15.836 -1.293 9.838 33 HE2 LYS 3 HE2 LYS 3 16.065 0.115 7.887 34 HE3 LYS 3 HE3 LYS 3 14.312 0.236 7.732 35 HZ1 LYS 3 HZ1 LYS 3 15.377 2.189 8.800 36 HZ2 LYS 3 HZ2 LYS 3 15.831 1.195 10.097 37 HZ3 LYS 3 HZ3 LYS 3 14.191 1.450 9.764 38 HA PRO 4 HA PRO 4 8.846 -0.588 6.970 39 HB2 PRO 4 HB2 PRO 4 10.311 0.488 4.765 40 HB3 PRO 4 HB3 PRO 4 9.557 1.370 6.095 41 HG2 PRO 4 HG2 PRO 4 12.376 0.508 5.753 42 HG3 PRO 4 HG3 PRO 4 11.723 1.904 6.633 43 HD2 PRO 4 HD2 PRO 4 12.668 -0.217 7.940 44 HD3 PRO 4 HD3 PRO 4 11.208 0.622 8.513 45 H LYS 5 H LYS 5 7.643 -1.609 5.564 46 HA LYS 5 HA LYS 5 8.646 -3.948 4.236 47 HB2 LYS 5 HB2 LYS 5 5.869 -2.768 4.060 48 HB3 LYS 5 HB3 LYS 5 6.342 -4.427 3.737 49 HG2 LYS 5 HG2 LYS 5 6.558 -3.141 6.444 50 HG3 LYS 5 HG3 LYS 5 5.141 -4.036 5.896 51 HD2 LYS 5 HD2 LYS 5 6.580 -6.019 5.547 52 HD3 LYS 5 HD3 LYS 5 7.945 -5.109 6.204 53 HE2 LYS 5 HE2 LYS 5 6.777 -4.850 8.323 54 HE3 LYS 5 HE3 LYS 5 5.371 -5.688 7.671 55 HZ1 LYS 5 HZ1 LYS 5 6.694 -7.165 9.022 56 HZ2 LYS 5 HZ2 LYS 5 8.066 -6.863 8.080 57 HZ3 LYS 5 HZ3 LYS 5 6.740 -7.676 7.403 58 H LEU 6 H LEU 6 8.210 -4.412 2.025 59 HA LEU 6 HA LEU 6 8.323 -2.102 0.221 60 HB2 LEU 6 HB2 LEU 6 10.201 -3.678 0.081 61 HB3 LEU 6 HB3 LEU 6 9.097 -5.012 -0.140 62 HG LEU 6 HG LEU 6 10.378 -4.223 -2.177 63 HD11 LEU 6 HD11 LEU 6 8.474 -5.693 -2.388 64 HD12 LEU 6 HD12 LEU 6 7.372 -4.314 -2.344 65 HD13 LEU 6 HD13 LEU 6 8.485 -4.513 -3.700 66 HD21 LEU 6 HD21 LEU 6 10.124 -1.817 -1.808 67 HD22 LEU 6 HD22 LEU 6 9.540 -2.315 -3.396 68 HD23 LEU 6 HD23 LEU 6 8.390 -1.963 -2.104 69 H LEU 7 H LEU 7 6.701 -1.827 -1.278 70 HA LEU 7 HA LEU 7 4.340 -3.489 -0.838 71 HB2 LEU 7 HB2 LEU 7 4.133 -1.045 -0.602 72 HB3 LEU 7 HB3 LEU 7 4.611 -0.850 -2.277 73 HG LEU 7 HG LEU 7 2.287 -2.610 -1.858 74 HD11 LEU 7 HD11 LEU 7 2.127 0.347 -1.292 75 HD12 LEU 7 HD12 LEU 7 0.750 -0.734 -1.501 76 HD13 LEU 7 HD13 LEU 7 1.844 -0.955 -0.136 77 HD21 LEU 7 HD21 LEU 7 3.100 -1.946 -4.080 78 HD22 LEU 7 HD22 LEU 7 1.456 -1.375 -3.791 79 HD23 LEU 7 HD23 LEU 7 2.811 -0.251 -3.676 80 H TYR 8 H TYR 8 4.483 -5.244 -2.027 81 HA TYR 8 HA TYR 8 4.801 -4.896 -4.945 82 HB2 TYR 8 HB2 TYR 8 6.640 -6.126 -4.031 83 HB3 TYR 8 HB3 TYR 8 5.579 -7.120 -3.053 84 HD1 TYR 8 HD2 TYR 8 6.719 -6.482 -6.516 85 HD2 TYR 8 HD1 TYR 8 4.714 -9.155 -3.887 86 HE1 TYR 8 HE2 TYR 8 6.788 -8.230 -8.245 87 HE2 TYR 8 HE1 TYR 8 4.787 -10.912 -5.603 88 HH TYR 8 HH TYR 8 4.998 -11.167 -7.969 89 H CYS 9 H CYS 9 2.558 -4.648 -5.438 90 HA CYS 9 HA CYS 9 0.895 -7.034 -5.023 91 HB2 CYS 9 HB2 CYS 9 -0.953 -5.808 -5.911 92 HB3 CYS 9 HB3 CYS 9 -0.130 -4.715 -4.807 93 HG CYS 9 HG CYS 9 -0.938 -3.137 -6.855 94 H SER 10 H SER 10 0.184 -8.232 -7.117 95 HA SER 10 HA SER 10 2.867 -8.254 -8.266 96 HB2 SER 10 HB2 SER 10 1.074 -10.648 -7.913 97 HB3 SER 10 HB3 SER 10 2.805 -10.631 -8.258 98 HG SER 10 HG SER 10 1.477 -9.912 -5.866 99 H ASN 11 H ASN 11 2.274 -7.048 -10.200 100 HA ASN 11 HA ASN 11 2.101 -9.269 -12.089 101 HB2 ASN 11 HB2 ASN 11 1.247 -7.012 -12.870 102 HB3 ASN 11 HB3 ASN 11 2.885 -6.389 -12.667 103 HD21 ASN 11 HD21 ASN 11 3.044 -5.917 -14.877 104 HD22 ASN 11 HD22 ASN 11 3.269 -7.164 -16.056 105 H GLY 12 H GLY 12 4.326 -9.408 -13.376 106 HA2 GLY 12 HA3 GLY 12 6.063 -10.298 -11.329 107 HA3 GLY 12 HA2 GLY 12 6.383 -10.364 -13.047 108 H GLY 13 H GLY 13 6.245 -7.869 -10.477 109 HA2 GLY 13 HA3 GLY 13 8.287 -7.308 -9.367 110 HA3 GLY 13 HA2 GLY 13 9.142 -7.585 -10.863 111 H HIS 14 H HIS 14 6.913 -5.330 -9.266 112 HA HIS 14 HA HIS 14 8.768 -3.256 -10.134 113 HB2 HIS 14 HB2 HIS 14 5.850 -3.224 -10.509 114 HB3 HIS 14 HB3 HIS 14 6.487 -1.791 -9.714 115 HD1 HIS 14 HD1 HIS 14 5.382 -1.082 -12.294 116 HD2 HIS 14 HD2 HIS 14 9.225 -2.641 -12.010 117 HE1 HIS 14 HE1 HIS 14 6.547 -0.383 -14.399 118 HE2 HIS 14 HE2 HIS 14 8.910 -1.212 -14.154 119 H PHE 15 H PHE 15 8.544 -1.335 -8.506 120 HA PHE 15 HA PHE 15 7.992 -2.336 -5.819 121 HB2 PHE 15 HB2 PHE 15 10.548 -0.915 -6.636 122 HB3 PHE 15 HB3 PHE 15 10.109 -1.370 -4.993 123 HD1 PHE 15 HD2 PHE 15 10.028 -3.768 -4.366 124 HD2 PHE 15 HD1 PHE 15 11.511 -2.473 -8.136 125 HE1 PHE 15 HE2 PHE 15 11.123 -5.948 -4.678 126 HE2 PHE 15 HE1 PHE 15 12.608 -4.652 -8.456 127 HZ PHE 15 HZ PHE 15 12.416 -6.393 -6.726 128 H LEU 16 H LEU 16 6.696 -0.881 -4.806 129 HA LEU 16 HA LEU 16 6.209 1.599 -6.185 130 HB2 LEU 16 HB2 LEU 16 4.462 0.018 -5.457 131 HB3 LEU 16 HB3 LEU 16 4.897 0.333 -3.791 132 HG LEU 16 HG LEU 16 4.319 2.813 -5.066 133 HD11 LEU 16 HD11 LEU 16 3.030 1.480 -6.667 134 HD12 LEU 16 HD12 LEU 16 2.169 0.710 -5.334 135 HD13 LEU 16 HD13 LEU 16 1.975 2.439 -5.628 136 HD21 LEU 16 HD21 LEU 16 2.643 2.888 -3.280 137 HD22 LEU 16 HD22 LEU 16 2.945 1.182 -2.941 138 HD23 LEU 16 HD23 LEU 16 4.228 2.372 -2.700 139 H ARG 17 H ARG 17 6.867 3.557 -5.578 140 HA ARG 17 HA ARG 17 8.302 3.857 -3.033 141 HB2 ARG 17 HB2 ARG 17 10.292 4.615 -4.041 142 HB3 ARG 17 HB3 ARG 17 9.855 3.188 -4.972 143 HG2 ARG 17 HG2 ARG 17 9.028 5.910 -5.891 144 HG3 ARG 17 HG3 ARG 17 10.654 5.302 -6.207 145 HD2 ARG 17 HD2 ARG 17 9.930 3.741 -7.690 146 HD3 ARG 17 HD3 ARG 17 8.394 3.503 -6.855 147 HE ARG 17 HE ARG 17 7.459 5.172 -8.123 148 HH11 ARG 17 HH12 ARG 17 10.926 5.202 -8.597 149 HH12 ARG 17 HH11 ARG 17 10.855 6.225 -9.997 150 HH21 ARG 17 HH22 ARG 17 7.345 6.524 -9.915 151 HH22 ARG 17 HH21 ARG 17 8.804 7.006 -10.740 152 H ILE 18 H ILE 18 8.519 6.132 -2.405 153 HA ILE 18 HA ILE 18 6.463 7.730 -3.689 154 HB ILE 18 HB ILE 18 6.359 9.071 -1.829 155 HG12 ILE 18 HG12 ILE 18 9.008 8.082 -0.783 156 HG13 ILE 18 HG13 ILE 18 8.867 9.506 -1.809 157 HG21 ILE 18 HG21 ILE 18 5.591 6.852 -1.282 158 HG22 ILE 18 HG22 ILE 18 7.218 6.387 -0.785 159 HG23 ILE 18 HG23 ILE 18 6.327 7.598 0.135 160 HD11 ILE 18 HD11 ILE 18 7.434 10.560 -0.133 161 HD12 ILE 18 HD12 ILE 18 7.594 9.135 0.893 162 HD13 ILE 18 HD13 ILE 18 9.009 10.123 0.528 163 H LEU 19 H LEU 19 6.780 9.573 -4.676 164 HA LEU 19 HA LEU 19 9.461 10.774 -4.647 165 HB2 LEU 19 HB2 LEU 19 8.846 11.785 -6.873 166 HB3 LEU 19 HB3 LEU 19 9.128 10.057 -6.896 167 HG LEU 19 HG LEU 19 6.328 11.114 -6.676 168 HD11 LEU 19 HD11 LEU 19 6.178 11.047 -9.121 169 HD12 LEU 19 HD12 LEU 19 7.317 12.277 -8.573 170 HD13 LEU 19 HD13 LEU 19 7.913 10.746 -9.215 171 HD21 LEU 19 HD21 LEU 19 6.706 8.727 -6.327 172 HD22 LEU 19 HD22 LEU 19 5.819 9.010 -7.827 173 HD23 LEU 19 HD23 LEU 19 7.540 8.623 -7.878 174 HA PRO 20 HA PRO 20 7.569 14.177 -2.734 175 HB2 PRO 20 HB2 PRO 20 9.067 16.103 -4.337 176 HB3 PRO 20 HB3 PRO 20 9.256 15.698 -2.627 177 HG2 PRO 20 HG2 PRO 20 11.109 15.020 -4.454 178 HG3 PRO 20 HG3 PRO 20 10.733 13.969 -3.074 179 HD2 PRO 20 HD2 PRO 20 9.797 13.766 -5.918 180 HD3 PRO 20 HD3 PRO 20 10.395 12.486 -4.837 181 H ASP 21 H ASP 21 6.888 13.577 -5.822 182 HA ASP 21 HA ASP 21 5.477 15.980 -6.545 183 HB2 ASP 21 HB2 ASP 21 6.422 14.440 -8.249 184 HB3 ASP 21 HB3 ASP 21 5.291 13.197 -7.725 185 H GLY 22 H GLY 22 4.879 13.126 -4.734 186 HA2 GLY 22 HA3 GLY 22 3.014 13.182 -3.168 187 HA3 GLY 22 HA2 GLY 22 2.052 13.928 -4.437 188 H THR 23 H THR 23 4.190 11.274 -5.141 189 HA THR 23 HA THR 23 1.870 9.550 -5.585 190 HB THR 23 HB THR 23 4.374 9.073 -7.044 191 HG1 THR 23 HG1 THR 23 3.076 11.518 -7.103 192 HG21 THR 23 HG21 THR 23 2.806 8.640 -8.884 193 HG22 THR 23 HG22 THR 23 1.475 9.212 -7.882 194 HG23 THR 23 HG23 THR 23 2.356 7.755 -7.428 195 H VAL 24 H VAL 24 2.055 7.485 -4.816 196 HA VAL 24 HA VAL 24 4.800 6.492 -4.575 197 HB VAL 24 HB VAL 24 3.510 6.691 -2.375 198 HG11 VAL 24 HG11 VAL 24 1.372 5.898 -2.980 199 HG12 VAL 24 HG12 VAL 24 2.047 4.386 -3.597 200 HG13 VAL 24 HG13 VAL 24 2.067 4.721 -1.862 201 HG21 VAL 24 HG21 VAL 24 5.559 5.438 -2.572 202 HG22 VAL 24 HG22 VAL 24 4.428 4.591 -1.517 203 HG23 VAL 24 HG23 VAL 24 4.675 4.035 -3.174 204 H ASP 25 H ASP 25 5.134 5.388 -6.328 205 HA ASP 25 HA ASP 25 3.112 3.518 -7.374 206 HB2 ASP 25 HB2 ASP 25 3.534 4.205 -9.649 207 HB3 ASP 25 HB3 ASP 25 3.174 5.660 -8.726 208 H GLY 26 H GLY 26 3.958 1.734 -8.717 209 HA2 GLY 26 HA3 GLY 26 6.635 1.123 -7.707 210 HA3 GLY 26 HA2 GLY 26 5.578 0.001 -8.519 211 H THR 27 H THR 27 8.298 1.001 -8.664 212 HA THR 27 HA THR 27 8.724 0.884 -11.527 213 HB THR 27 HB THR 27 9.659 3.116 -9.717 214 HG1 THR 27 HG1 THR 27 7.792 3.637 -10.822 215 HG21 THR 27 HG21 THR 27 11.198 3.830 -11.468 216 HG22 THR 27 HG22 THR 27 10.769 2.414 -12.431 217 HG23 THR 27 HG23 THR 27 11.602 2.211 -10.887 218 H ARG 28 H ARG 28 11.050 -0.119 -11.816 219 HA ARG 28 HA ARG 28 11.475 -1.504 -9.291 220 HB2 ARG 28 HB2 ARG 28 11.629 -2.818 -11.311 221 HB3 ARG 28 HB3 ARG 28 12.880 -1.762 -11.941 222 HG2 ARG 28 HG2 ARG 28 14.370 -2.471 -10.122 223 HG3 ARG 28 HG3 ARG 28 13.114 -3.568 -9.545 224 HD2 ARG 28 HD2 ARG 28 14.397 -3.666 -12.274 225 HD3 ARG 28 HD3 ARG 28 14.817 -4.708 -10.915 226 HE ARG 28 HE ARG 28 12.598 -5.671 -11.069 227 HH11 ARG 28 HH12 ARG 28 13.622 -3.715 -13.790 228 HH12 ARG 28 HH11 ARG 28 12.539 -4.497 -14.911 229 HH21 ARG 28 HH22 ARG 28 11.185 -6.696 -12.541 230 HH22 ARG 28 HH21 ARG 28 11.164 -6.176 -14.203 231 H ASP 29 H ASP 29 12.230 -0.201 -7.954 232 HA ASP 29 HA ASP 29 15.109 0.148 -8.027 233 HB2 ASP 29 HB2 ASP 29 14.490 2.409 -8.466 234 HB3 ASP 29 HB3 ASP 29 13.152 2.340 -7.325 235 H ARG 30 H ARG 30 15.604 -1.313 -6.417 236 HA ARG 30 HA ARG 30 14.467 -0.572 -3.818 237 HB2 ARG 30 HB2 ARG 30 14.759 -2.944 -3.073 238 HB3 ARG 30 HB3 ARG 30 13.491 -2.687 -4.259 239 HG2 ARG 30 HG2 ARG 30 14.548 -4.658 -4.943 240 HG3 ARG 30 HG3 ARG 30 15.235 -3.422 -5.997 241 HD2 ARG 30 HD2 ARG 30 17.211 -3.288 -4.598 242 HD3 ARG 30 HD3 ARG 30 16.517 -4.446 -3.468 243 HE ARG 30 HE ARG 30 16.645 -5.606 -6.038 244 HH11 ARG 30 HH12 ARG 30 18.704 -4.576 -3.407 245 HH12 ARG 30 HH11 ARG 30 19.947 -5.738 -3.739 246 HH21 ARG 30 HH22 ARG 30 18.280 -7.138 -6.499 247 HH22 ARG 30 HH21 ARG 30 19.702 -7.213 -5.499 248 H SER 31 H SER 31 16.866 0.050 -5.502 249 HA SER 31 HA SER 31 19.031 -1.006 -3.867 250 HB2 SER 31 HB2 SER 31 19.110 -0.909 -6.414 251 HB3 SER 31 HB3 SER 31 19.269 0.840 -6.246 252 HG SER 31 HG SER 31 21.321 0.349 -6.138 253 H ASP 32 H ASP 32 17.031 1.757 -4.137 254 HA ASP 32 HA ASP 32 18.896 3.241 -2.411 255 HB2 ASP 32 HB2 ASP 32 18.367 4.212 -4.766 256 HB3 ASP 32 HB3 ASP 32 16.787 4.590 -4.086 257 H GLN 33 H GLN 33 17.224 5.112 -1.459 258 HA GLN 33 HA GLN 33 15.539 3.397 0.214 259 HB2 GLN 33 HB2 GLN 33 15.893 5.103 1.954 260 HB3 GLN 33 HB3 GLN 33 17.402 4.441 1.332 261 HG2 GLN 33 HG2 GLN 33 17.581 6.450 -0.142 262 HG3 GLN 33 HG3 GLN 33 16.199 7.124 0.713 263 HE21 GLN 33 HE21 GLN 33 17.112 5.905 3.261 264 HE22 GLN 33 HE22 GLN 33 18.419 6.908 3.796 265 H HIS 34 H HIS 34 13.947 3.662 -1.636 266 HA HIS 34 HA HIS 34 12.365 6.113 -1.169 267 HB2 HIS 34 HB2 HIS 34 12.510 4.518 -3.735 268 HB3 HIS 34 HB3 HIS 34 11.569 5.978 -3.474 269 HD1 HIS 34 HD1 HIS 34 14.550 4.925 -5.033 270 HD2 HIS 34 HD2 HIS 34 13.516 8.214 -2.685 271 HE1 HIS 34 HE1 HIS 34 16.250 6.711 -5.556 272 HE2 HIS 34 HE2 HIS 34 15.738 8.597 -3.964 273 H ILE 35 H ILE 35 12.379 2.651 -1.548 274 HA ILE 35 HA ILE 35 9.497 2.514 -1.789 275 HB ILE 35 HB ILE 35 9.765 0.229 -2.345 276 HG12 ILE 35 HG12 ILE 35 11.464 -0.335 -0.582 277 HG13 ILE 35 HG13 ILE 35 11.805 -1.039 -2.154 278 HG21 ILE 35 HG21 ILE 35 11.268 0.357 -4.243 279 HG22 ILE 35 HG22 ILE 35 10.367 1.861 -4.063 280 HG23 ILE 35 HG23 ILE 35 12.056 1.776 -3.550 281 HD11 ILE 35 HD11 ILE 35 13.198 1.242 -0.795 282 HD12 ILE 35 HD12 ILE 35 13.860 -0.310 -1.295 283 HD13 ILE 35 HD13 ILE 35 13.409 0.886 -2.510 284 H GLN 36 H GLN 36 10.748 3.244 0.929 285 HA GLN 36 HA GLN 36 10.174 0.719 2.328 286 HB2 GLN 36 HB2 GLN 36 11.544 1.586 4.152 287 HB3 GLN 36 HB3 GLN 36 12.418 1.606 2.629 288 HG2 GLN 36 HG2 GLN 36 11.342 4.122 2.689 289 HG3 GLN 36 HG3 GLN 36 11.644 3.800 4.392 290 HE21 GLN 36 HE21 GLN 36 13.571 2.352 1.889 291 HE22 GLN 36 HE22 GLN 36 15.013 3.243 2.225 292 H LEU 37 H LEU 37 7.998 0.776 2.595 293 HA LEU 37 HA LEU 37 7.033 2.877 4.401 294 HB2 LEU 37 HB2 LEU 37 4.715 1.894 3.587 295 HB3 LEU 37 HB3 LEU 37 5.544 3.206 2.781 296 HG LEU 37 HG LEU 37 6.521 1.394 1.229 297 HD11 LEU 37 HD11 LEU 37 4.244 -0.165 2.438 298 HD12 LEU 37 HD12 LEU 37 5.160 -0.628 1.003 299 HD13 LEU 37 HD13 LEU 37 5.961 -0.547 2.572 300 HD21 LEU 37 HD21 LEU 37 3.558 1.953 1.172 301 HD22 LEU 37 HD22 LEU 37 4.822 3.005 0.535 302 HD23 LEU 37 HD23 LEU 37 4.540 1.424 -0.193 303 H GLN 38 H GLN 38 6.162 2.345 6.273 304 HA GLN 38 HA GLN 38 6.837 -0.392 7.018 305 HB2 GLN 38 HB2 GLN 38 8.025 0.805 8.501 306 HB3 GLN 38 HB3 GLN 38 7.019 2.238 8.343 307 HG2 GLN 38 HG2 GLN 38 5.416 1.299 9.878 308 HG3 GLN 38 HG3 GLN 38 6.297 -0.227 9.936 309 HE21 GLN 38 HE21 GLN 38 6.621 -0.137 12.128 310 HE22 GLN 38 HE22 GLN 38 7.690 0.992 12.879 311 H LEU 39 H LEU 39 5.264 -1.752 6.949 312 HA LEU 39 HA LEU 39 2.518 -0.843 7.364 313 HB2 LEU 39 HB2 LEU 39 3.776 -3.126 5.890 314 HB3 LEU 39 HB3 LEU 39 2.106 -3.247 6.411 315 HG LEU 39 HG LEU 39 3.146 -1.002 4.691 316 HD11 LEU 39 HD11 LEU 39 1.715 -3.531 3.880 317 HD12 LEU 39 HD12 LEU 39 2.077 -2.166 2.822 318 HD13 LEU 39 HD13 LEU 39 3.390 -3.120 3.510 319 HD21 LEU 39 HD21 LEU 39 0.769 -0.632 4.265 320 HD22 LEU 39 HD22 LEU 39 0.366 -1.958 5.357 321 HD23 LEU 39 HD23 LEU 39 1.139 -0.503 5.984 322 H SER 40 H SER 40 2.074 -0.939 9.479 323 HA SER 40 HA SER 40 2.617 -3.468 10.868 324 HB2 SER 40 HB2 SER 40 2.212 -2.095 12.961 325 HB3 SER 40 HB3 SER 40 3.656 -1.668 12.045 326 HG SER 40 HG SER 40 1.878 -0.004 12.812 327 H ALA 41 H ALA 41 0.949 -4.143 12.436 328 HA ALA 41 HA ALA 41 -1.753 -3.319 11.595 329 HB1 ALA 41 HB1 ALA 41 -1.295 -5.698 11.175 330 HB2 ALA 41 HB2 ALA 41 -0.899 -5.924 12.880 331 HB3 ALA 41 HB3 ALA 41 -2.540 -5.498 12.407 332 H GLU 42 H GLU 42 -2.375 -1.795 12.979 333 HA GLU 42 HA GLU 42 -0.990 -1.683 15.532 334 HB2 GLU 42 HB2 GLU 42 -1.425 0.211 13.583 335 HB3 GLU 42 HB3 GLU 42 -2.622 0.623 14.815 336 HG2 GLU 42 HG2 GLU 42 -0.536 1.824 15.190 337 HG3 GLU 42 HG3 GLU 42 -0.876 0.703 16.507 338 H SER 43 H SER 43 -4.284 -1.293 14.242 339 HA SER 43 HA SER 43 -5.225 -1.922 16.951 340 HB2 SER 43 HB2 SER 43 -6.881 -0.606 14.796 341 HB3 SER 43 HB3 SER 43 -7.251 -0.733 16.514 342 HG SER 43 HG SER 43 -6.483 1.351 15.953 343 H VAL 44 H VAL 44 -7.236 -3.261 16.963 344 HA VAL 44 HA VAL 44 -6.646 -5.645 15.588 345 HB VAL 44 HB VAL 44 -9.302 -4.884 16.834 346 HG11 VAL 44 HG11 VAL 44 -9.467 -6.818 15.370 347 HG12 VAL 44 HG12 VAL 44 -8.124 -7.587 16.213 348 HG13 VAL 44 HG13 VAL 44 -9.646 -7.304 17.056 349 HG21 VAL 44 HG21 VAL 44 -6.949 -6.303 18.062 350 HG22 VAL 44 HG22 VAL 44 -7.471 -4.660 18.430 351 HG23 VAL 44 HG23 VAL 44 -8.508 -6.027 18.837 352 H GLY 45 H GLY 45 -6.828 -5.991 13.518 353 HA2 GLY 45 HA3 GLY 45 -8.158 -6.519 11.646 354 HA3 GLY 45 HA2 GLY 45 -9.369 -5.378 12.209 355 H GLU 46 H GLU 46 -7.224 -3.289 12.648 356 HA GLU 46 HA GLU 46 -7.139 -2.532 9.845 357 HB2 GLU 46 HB2 GLU 46 -6.651 -0.188 10.987 358 HB3 GLU 46 HB3 GLU 46 -8.269 -0.784 10.660 359 HG2 GLU 46 HG2 GLU 46 -8.164 -1.751 13.035 360 HG3 GLU 46 HG3 GLU 46 -6.798 -0.658 13.255 361 H VAL 47 H VAL 47 -5.446 -1.746 8.818 362 HA VAL 47 HA VAL 47 -2.848 -2.206 10.101 363 HB VAL 47 HB VAL 47 -2.026 -2.625 7.715 364 HG11 VAL 47 HG11 VAL 47 -2.137 -4.358 9.421 365 HG12 VAL 47 HG12 VAL 47 -3.839 -4.632 9.052 366 HG13 VAL 47 HG13 VAL 47 -2.606 -5.005 7.850 367 HG21 VAL 47 HG21 VAL 47 -4.975 -3.151 7.316 368 HG22 VAL 47 HG22 VAL 47 -4.046 -1.852 6.568 369 HG23 VAL 47 HG23 VAL 47 -3.690 -3.532 6.169 370 H TYR 48 H TYR 48 -1.147 -0.840 9.519 371 HA TYR 48 HA TYR 48 -2.178 1.790 8.678 372 HB2 TYR 48 HB2 TYR 48 -1.791 1.595 11.113 373 HB3 TYR 48 HB3 TYR 48 -0.116 1.169 10.804 374 HD1 TYR 48 HD1 TYR 48 -2.142 3.807 9.158 375 HD2 TYR 48 HD2 TYR 48 1.063 2.933 11.818 376 HE1 TYR 48 HE1 TYR 48 -1.534 6.186 9.200 377 HE2 TYR 48 HE2 TYR 48 1.676 5.314 11.865 378 HH TYR 48 HH TYR 48 1.405 7.310 10.518 379 H ILE 49 H ILE 49 -1.210 2.637 7.014 380 HA ILE 49 HA ILE 49 1.339 1.555 6.070 381 HB ILE 49 HB ILE 49 -0.495 3.447 4.588 382 HG12 ILE 49 HG12 ILE 49 -0.453 0.421 4.467 383 HG13 ILE 49 HG13 ILE 49 -1.750 1.404 5.136 384 HG21 ILE 49 HG21 ILE 49 1.799 3.327 3.775 385 HG22 ILE 49 HG22 ILE 49 1.671 1.573 3.638 386 HG23 ILE 49 HG23 ILE 49 0.682 2.613 2.612 387 HD11 ILE 49 HD11 ILE 49 -2.158 2.357 2.923 388 HD12 ILE 49 HD12 ILE 49 -0.872 1.348 2.259 389 HD13 ILE 49 HD13 ILE 49 -2.322 0.601 2.929 390 H LYS 50 H LYS 50 2.950 2.656 7.070 391 HA LYS 50 HA LYS 50 2.649 5.576 7.158 392 HB2 LYS 50 HB2 LYS 50 3.956 5.573 9.248 393 HB3 LYS 50 HB3 LYS 50 2.442 4.694 9.396 394 HG2 LYS 50 HG2 LYS 50 3.749 2.586 9.030 395 HG3 LYS 50 HG3 LYS 50 5.215 3.559 9.160 396 HD2 LYS 50 HD2 LYS 50 3.077 3.319 11.276 397 HD3 LYS 50 HD3 LYS 50 4.621 2.468 11.285 398 HE2 LYS 50 HE2 LYS 50 5.793 4.618 11.359 399 HE3 LYS 50 HE3 LYS 50 4.243 5.459 11.360 400 HZ1 LYS 50 HZ1 LYS 50 5.235 3.609 13.464 401 HZ2 LYS 50 HZ2 LYS 50 3.707 4.338 13.456 402 HZ3 LYS 50 HZ3 LYS 50 5.098 5.296 13.588 403 H SER 51 H SER 51 4.392 6.825 6.761 404 HA SER 51 HA SER 51 6.501 5.749 5.192 405 HB2 SER 51 HB2 SER 51 5.386 7.987 4.830 406 HB3 SER 51 HB3 SER 51 6.073 8.521 6.357 407 HG SER 51 HG SER 51 7.744 9.062 5.234 408 H THR 52 H THR 52 8.331 4.955 6.018 409 HA THR 52 HA THR 52 9.142 5.679 8.685 410 HB THR 52 HB THR 52 11.322 4.558 7.987 411 HG1 THR 52 HG1 THR 52 9.837 3.515 5.817 412 HG21 THR 52 HG21 THR 52 10.384 2.308 8.162 413 HG22 THR 52 HG22 THR 52 8.780 2.949 7.808 414 HG23 THR 52 HG23 THR 52 9.607 3.415 9.295 415 H GLU 53 H GLU 53 11.551 5.813 6.200 416 HA GLU 53 HA GLU 53 11.874 8.663 6.850 417 HB2 GLU 53 HB2 GLU 53 13.572 6.698 5.326 418 HB3 GLU 53 HB3 GLU 53 13.876 8.425 5.234 419 HG2 GLU 53 HG2 GLU 53 15.337 7.403 6.850 420 HG3 GLU 53 HG3 GLU 53 14.215 8.497 7.651 421 H THR 54 H THR 54 11.560 6.630 3.971 422 HA THR 54 HA THR 54 10.432 8.914 2.513 423 HB THR 54 HB THR 54 11.178 7.604 0.457 424 HG1 THR 54 HG1 THR 54 13.188 6.347 1.218 425 HG21 THR 54 HG21 THR 54 12.279 9.656 1.200 426 HG22 THR 54 HG22 THR 54 13.466 8.493 0.613 427 HG23 THR 54 HG23 THR 54 13.250 8.732 2.346 428 H GLY 55 H GLY 55 8.614 6.967 4.049 429 HA2 GLY 55 HA3 GLY 55 8.379 4.867 2.033 430 HA3 GLY 55 HA2 GLY 55 7.816 4.760 3.680 431 H GLN 56 H GLN 56 6.132 7.236 3.472 432 HA GLN 56 HA GLN 56 5.008 7.952 1.218 433 HB2 GLN 56 HB2 GLN 56 4.417 5.732 0.514 434 HB3 GLN 56 HB3 GLN 56 3.515 5.454 1.998 435 HG2 GLN 56 HG2 GLN 56 2.087 5.930 0.073 436 HG3 GLN 56 HG3 GLN 56 1.893 7.079 1.392 437 HE21 GLN 56 HE21 GLN 56 1.108 7.497 -1.265 438 HE22 GLN 56 HE22 GLN 56 1.999 8.862 -1.833 439 H TYR 57 H TYR 57 3.393 9.406 1.392 440 HA TYR 57 HA TYR 57 2.063 9.593 4.015 441 HB2 TYR 57 HB2 TYR 57 3.155 11.640 3.539 442 HB3 TYR 57 HB3 TYR 57 2.601 11.638 1.887 443 HD1 TYR 57 HD1 TYR 57 0.900 11.412 5.217 444 HD2 TYR 57 HD2 TYR 57 1.172 13.383 1.459 445 HE1 TYR 57 HE1 TYR 57 -0.971 12.874 5.852 446 HE2 TYR 57 HE2 TYR 57 -0.696 14.849 2.083 447 HH TYR 57 HH TYR 57 -1.867 15.079 5.264 448 H LEU 58 H LEU 58 0.937 7.674 3.051 449 HA LEU 58 HA LEU 58 -0.709 8.189 0.805 450 HB2 LEU 58 HB2 LEU 58 0.008 5.857 2.329 451 HB3 LEU 58 HB3 LEU 58 -1.701 5.863 1.887 452 HG LEU 58 HG LEU 58 0.349 6.622 -0.124 453 HD11 LEU 58 HD11 LEU 58 0.472 4.249 -0.851 454 HD12 LEU 58 HD12 LEU 58 1.106 4.442 0.782 455 HD13 LEU 58 HD13 LEU 58 -0.506 3.770 0.536 456 HD21 LEU 58 HD21 LEU 58 -1.975 6.994 -0.627 457 HD22 LEU 58 HD22 LEU 58 -1.323 5.725 -1.664 458 HD23 LEU 58 HD23 LEU 58 -2.353 5.303 -0.296 459 H ALA 59 H ALA 59 -1.958 9.587 1.015 460 HA ALA 59 HA ALA 59 -3.841 9.790 3.245 461 HB1 ALA 59 HB1 ALA 59 -4.149 12.109 2.509 462 HB2 ALA 59 HB2 ALA 59 -2.440 11.765 2.789 463 HB3 ALA 59 HB3 ALA 59 -3.068 11.825 1.143 464 H MET 60 H MET 60 -5.613 8.641 2.800 465 HA MET 60 HA MET 60 -6.398 8.201 0.060 466 HB2 MET 60 HB2 MET 60 -6.510 6.594 2.105 467 HB3 MET 60 HB3 MET 60 -7.983 7.458 2.514 468 HG2 MET 60 HG2 MET 60 -8.527 5.455 1.324 469 HG3 MET 60 HG3 MET 60 -8.922 6.860 0.333 470 HE1 MET 60 HE1 MET 60 -7.628 3.771 -1.922 471 HE2 MET 60 HE2 MET 60 -8.271 3.599 -0.291 472 HE3 MET 60 HE3 MET 60 -9.068 4.668 -1.444 473 H ASP 61 H ASP 61 -7.846 9.376 -1.056 474 HA ASP 61 HA ASP 61 -9.443 11.329 0.469 475 HB2 ASP 61 HB2 ASP 61 -7.667 12.340 -1.005 476 HB3 ASP 61 HB3 ASP 61 -8.532 11.637 -2.367 477 H THR 62 H THR 62 -11.500 11.435 0.100 478 HA THR 62 HA THR 62 -13.597 10.827 -0.449 479 HB THR 62 HB THR 62 -12.424 9.788 -3.021 480 HG1 THR 62 HG1 THR 62 -11.934 12.066 -2.487 481 HG21 THR 62 HG21 THR 62 -14.724 9.093 -2.592 482 HG22 THR 62 HG22 THR 62 -14.674 10.275 -3.902 483 HG23 THR 62 HG23 THR 62 -15.179 10.768 -2.285 484 H ASP 63 H ASP 63 -11.037 8.551 -0.980 485 HA ASP 63 HA ASP 63 -10.657 6.800 0.525 486 HB2 ASP 63 HB2 ASP 63 -12.701 7.133 1.805 487 HB3 ASP 63 HB3 ASP 63 -13.658 6.440 0.500 488 H GLY 64 H GLY 64 -11.441 7.461 -2.306 489 HA2 GLY 64 HA3 GLY 64 -11.675 4.762 -3.395 490 HA3 GLY 64 HA2 GLY 64 -11.858 6.269 -4.298 491 H LEU 65 H LEU 65 -9.861 7.711 -4.185 492 HA LEU 65 HA LEU 65 -7.546 5.957 -4.614 493 HB2 LEU 65 HB2 LEU 65 -7.045 6.941 -6.591 494 HB3 LEU 65 HB3 LEU 65 -8.798 7.145 -6.552 495 HG LEU 65 HG LEU 65 -8.113 9.487 -5.443 496 HD11 LEU 65 HD11 LEU 65 -5.864 8.861 -7.353 497 HD12 LEU 65 HD12 LEU 65 -6.207 10.435 -6.635 498 HD13 LEU 65 HD13 LEU 65 -5.711 9.087 -5.611 499 HD21 LEU 65 HD21 LEU 65 -9.590 9.159 -7.347 500 HD22 LEU 65 HD22 LEU 65 -8.446 10.463 -7.661 501 HD23 LEU 65 HD23 LEU 65 -8.201 8.879 -8.395 502 H LEU 66 H LEU 66 -5.469 7.452 -4.715 503 HA LEU 66 HA LEU 66 -5.424 8.747 -2.093 504 HB2 LEU 66 HB2 LEU 66 -3.268 7.058 -2.016 505 HB3 LEU 66 HB3 LEU 66 -4.795 6.817 -1.188 506 HG LEU 66 HG LEU 66 -5.605 5.516 -3.121 507 HD11 LEU 66 HD11 LEU 66 -3.916 6.580 -4.750 508 HD12 LEU 66 HD12 LEU 66 -2.796 5.361 -4.154 509 HD13 LEU 66 HD13 LEU 66 -4.303 4.863 -4.949 510 HD21 LEU 66 HD21 LEU 66 -3.054 4.515 -1.888 511 HD22 LEU 66 HD22 LEU 66 -4.665 4.419 -1.173 512 HD23 LEU 66 HD23 LEU 66 -4.299 3.520 -2.647 513 H TYR 67 H TYR 67 -3.904 10.230 -1.831 514 HA TYR 67 HA TYR 67 -1.659 10.238 -3.757 515 HB2 TYR 67 HB2 TYR 67 -1.687 12.676 -3.851 516 HB3 TYR 67 HB3 TYR 67 -3.263 12.060 -4.329 517 HD1 TYR 67 HD1 TYR 67 -5.120 12.058 -2.560 518 HD2 TYR 67 HD2 TYR 67 -1.511 14.273 -2.138 519 HE1 TYR 67 HE1 TYR 67 -6.204 13.497 -0.888 520 HE2 TYR 67 HE2 TYR 67 -2.587 15.717 -0.463 521 HH TYR 67 HH TYR 67 -5.000 16.429 0.084 522 H GLY 68 H GLY 68 0.389 10.856 -2.808 523 HA2 GLY 68 HA3 GLY 68 0.435 11.618 -0.045 524 HA3 GLY 68 HA2 GLY 68 0.771 9.901 -0.237 525 H SER 69 H SER 69 2.361 12.400 0.590 526 HA SER 69 HA SER 69 4.697 11.075 -0.526 527 HB2 SER 69 HB2 SER 69 4.241 13.065 -1.957 528 HB3 SER 69 HB3 SER 69 4.553 14.073 -0.543 529 HG SER 69 HG SER 69 6.364 12.335 -1.867 530 H GLN 70 H GLN 70 3.776 13.609 1.831 531 HA GLN 70 HA GLN 70 6.488 13.606 2.830 532 HB2 GLN 70 HB2 GLN 70 5.556 15.457 4.341 533 HB3 GLN 70 HB3 GLN 70 5.704 15.750 2.614 534 HG2 GLN 70 HG2 GLN 70 3.339 15.369 2.313 535 HG3 GLN 70 HG3 GLN 70 3.164 14.926 4.010 536 HE21 GLN 70 HE21 GLN 70 1.865 17.051 2.467 537 HE22 GLN 70 HE22 GLN 70 2.223 18.524 3.297 538 H THR 71 H THR 71 3.417 12.582 4.238 539 HA THR 71 HA THR 71 4.779 12.229 6.862 540 HB THR 71 HB THR 71 1.931 13.191 6.698 541 HG1 THR 71 HG1 THR 71 4.284 14.805 6.493 542 HG21 THR 71 HG21 THR 71 4.170 13.689 8.669 543 HG22 THR 71 HG22 THR 71 2.794 12.612 8.908 544 HG23 THR 71 HG23 THR 71 2.541 14.352 8.789 545 HA PRO 72 HA PRO 72 1.487 8.964 6.899 546 HB2 PRO 72 HB2 PRO 72 1.994 7.721 9.211 547 HB3 PRO 72 HB3 PRO 72 3.115 7.613 7.845 548 HG2 PRO 72 HG2 PRO 72 3.469 8.995 10.405 549 HG3 PRO 72 HG3 PRO 72 4.679 8.607 9.173 550 HD2 PRO 72 HD2 PRO 72 3.203 11.119 9.604 551 HD3 PRO 72 HD3 PRO 72 4.673 10.829 8.645 552 H ASN 73 H ASN 73 -0.596 9.729 7.175 553 HA ASN 73 HA ASN 73 -1.275 11.053 9.732 554 HB2 ASN 73 HB2 ASN 73 -2.433 11.082 6.951 555 HB3 ASN 73 HB3 ASN 73 -3.473 11.451 8.323 556 HD21 ASN 73 HD21 ASN 73 -3.720 13.516 7.308 557 HD22 ASN 73 HD22 ASN 73 -2.518 14.743 7.564 558 H GLU 74 H GLU 74 -3.736 10.166 10.494 559 HA GLU 74 HA GLU 74 -3.802 7.564 9.109 560 HB2 GLU 74 HB2 GLU 74 -5.537 8.514 11.406 561 HB3 GLU 74 HB3 GLU 74 -5.535 6.901 10.704 562 HG2 GLU 74 HG2 GLU 74 -3.547 6.322 11.682 563 HG3 GLU 74 HG3 GLU 74 -3.002 7.994 11.815 564 H GLU 75 H GLU 75 -4.198 8.500 7.348 565 HA GLU 75 HA GLU 75 -7.037 8.379 6.738 566 HB2 GLU 75 HB2 GLU 75 -4.826 9.924 5.379 567 HB3 GLU 75 HB3 GLU 75 -6.413 9.657 4.646 568 HG2 GLU 75 HG2 GLU 75 -7.503 10.980 6.219 569 HG3 GLU 75 HG3 GLU 75 -6.163 10.889 7.358 570 H CYS 76 H CYS 76 -3.747 7.495 6.495 571 HA CYS 76 HA CYS 76 -3.631 5.887 4.277 572 HB2 CYS 76 HB2 CYS 76 -2.221 5.346 6.890 573 HB3 CYS 76 HB3 CYS 76 -1.649 4.987 5.268 574 HG CYS 76 HG CYS 76 -0.020 6.982 5.820 575 H LEU 77 H LEU 77 -5.591 5.368 6.979 576 HA LEU 77 HA LEU 77 -4.923 2.651 7.568 577 HB2 LEU 77 HB2 LEU 77 -7.044 4.524 8.580 578 HB3 LEU 77 HB3 LEU 77 -6.983 2.843 9.067 579 HG LEU 77 HG LEU 77 -4.794 4.870 9.541 580 HD11 LEU 77 HD11 LEU 77 -5.477 4.719 11.881 581 HD12 LEU 77 HD12 LEU 77 -6.795 5.311 10.870 582 HD13 LEU 77 HD13 LEU 77 -6.798 3.640 11.430 583 HD21 LEU 77 HD21 LEU 77 -3.947 2.592 9.281 584 HD22 LEU 77 HD22 LEU 77 -3.817 3.134 10.955 585 HD23 LEU 77 HD23 LEU 77 -5.102 2.021 10.486 586 H PHE 78 H PHE 78 -5.686 0.921 6.627 587 HA PHE 78 HA PHE 78 -8.431 1.010 5.676 588 HB2 PHE 78 HB2 PHE 78 -6.345 -0.594 4.192 589 HB3 PHE 78 HB3 PHE 78 -7.986 -0.259 3.713 590 HD1 PHE 78 HD2 PHE 78 -8.557 2.293 3.442 591 HD2 PHE 78 HD1 PHE 78 -4.654 0.621 3.217 592 HE1 PHE 78 HE2 PHE 78 -7.801 4.243 2.146 593 HE2 PHE 78 HE1 PHE 78 -3.888 2.567 1.928 594 HZ PHE 78 HZ PHE 78 -5.478 4.355 1.341 595 H LEU 79 H LEU 79 -9.330 -1.282 5.454 596 HA LEU 79 HA LEU 79 -8.697 -2.724 7.900 597 HB2 LEU 79 HB2 LEU 79 -11.050 -2.202 7.291 598 HB3 LEU 79 HB3 LEU 79 -10.879 -3.208 5.868 599 HG LEU 79 HG LEU 79 -10.386 -5.136 7.444 600 HD11 LEU 79 HD11 LEU 79 -11.451 -3.158 9.453 601 HD12 LEU 79 HD12 LEU 79 -11.232 -4.884 9.739 602 HD13 LEU 79 HD13 LEU 79 -9.832 -3.857 9.423 603 HD21 LEU 79 HD21 LEU 79 -12.741 -5.536 7.897 604 HD22 LEU 79 HD22 LEU 79 -13.101 -3.832 7.612 605 HD23 LEU 79 HD23 LEU 79 -12.526 -4.846 6.287 606 H GLU 80 H GLU 80 -7.929 -4.812 7.974 607 HA GLU 80 HA GLU 80 -6.544 -5.559 5.516 608 HB2 GLU 80 HB2 GLU 80 -5.470 -5.177 7.877 609 HB3 GLU 80 HB3 GLU 80 -6.035 -6.810 8.195 610 HG2 GLU 80 HG2 GLU 80 -4.296 -6.122 5.848 611 HG3 GLU 80 HG3 GLU 80 -3.646 -6.554 7.425 612 H ARG 81 H ARG 81 -6.944 -7.331 4.456 613 HA ARG 81 HA ARG 81 -8.886 -9.287 5.473 614 HB2 ARG 81 HB2 ARG 81 -10.040 -7.769 3.959 615 HB3 ARG 81 HB3 ARG 81 -8.783 -7.966 2.749 616 HG2 ARG 81 HG2 ARG 81 -10.672 -9.226 2.061 617 HG3 ARG 81 HG3 ARG 81 -9.425 -10.364 2.569 618 HD2 ARG 81 HD2 ARG 81 -10.539 -10.750 4.654 619 HD3 ARG 81 HD3 ARG 81 -11.693 -9.455 4.333 620 HE ARG 81 HE ARG 81 -11.889 -11.294 2.241 621 HH11 ARG 81 HH12 ARG 81 -12.489 -11.158 5.696 622 HH12 ARG 81 HH11 ARG 81 -13.760 -12.345 5.653 623 HH21 ARG 81 HH22 ARG 81 -13.586 -12.825 2.173 624 HH22 ARG 81 HH21 ARG 81 -14.408 -13.270 3.638 625 H LEU 82 H LEU 82 -8.131 -11.310 5.319 626 HA LEU 82 HA LEU 82 -5.561 -11.679 4.010 627 HB2 LEU 82 HB2 LEU 82 -7.070 -13.281 6.058 628 HB3 LEU 82 HB3 LEU 82 -5.632 -13.899 5.267 629 HG LEU 82 HG LEU 82 -5.724 -11.366 6.906 630 HD11 LEU 82 HD11 LEU 82 -6.110 -13.319 8.306 631 HD12 LEU 82 HD12 LEU 82 -4.690 -14.109 7.616 632 HD13 LEU 82 HD13 LEU 82 -4.501 -12.652 8.593 633 HD21 LEU 82 HD21 LEU 82 -3.418 -12.921 5.740 634 HD22 LEU 82 HD22 LEU 82 -4.006 -11.356 5.180 635 HD23 LEU 82 HD23 LEU 82 -3.288 -11.505 6.782 636 H GLU 83 H GLU 83 -5.327 -12.668 2.165 637 HA GLU 83 HA GLU 83 -7.536 -14.168 0.991 638 HB2 GLU 83 HB2 GLU 83 -5.714 -12.408 -0.063 639 HB3 GLU 83 HB3 GLU 83 -4.986 -13.951 -0.478 640 HG2 GLU 83 HG2 GLU 83 -7.760 -13.037 -1.208 641 HG3 GLU 83 HG3 GLU 83 -6.369 -13.136 -2.286 642 H GLU 84 H GLU 84 -7.035 -16.308 -0.022 643 HA GLU 84 HA GLU 84 -5.559 -17.886 1.941 644 HB2 GLU 84 HB2 GLU 84 -7.332 -18.841 -0.316 645 HB3 GLU 84 HB3 GLU 84 -6.718 -19.810 1.015 646 HG2 GLU 84 HG2 GLU 84 -8.721 -17.576 1.172 647 HG3 GLU 84 HG3 GLU 84 -9.017 -19.296 1.408 648 H ASN 85 H ASN 85 -5.198 -16.696 -1.248 649 HA ASN 85 HA ASN 85 -3.160 -18.687 -1.880 650 HB2 ASN 85 HB2 ASN 85 -4.764 -17.904 -3.636 651 HB3 ASN 85 HB3 ASN 85 -4.054 -16.300 -3.513 652 HD21 ASN 85 HD21 ASN 85 -3.553 -16.442 -5.726 653 HD22 ASN 85 HD22 ASN 85 -2.189 -17.346 -6.281 654 H HIS 86 H HIS 86 -2.794 -17.109 0.351 655 HA HIS 86 HA HIS 86 -1.304 -15.813 1.462 656 HB2 HIS 86 HB2 HIS 86 0.504 -16.831 -0.735 657 HB3 HIS 86 HB3 HIS 86 1.060 -16.072 0.755 658 HD1 HIS 86 HD1 HIS 86 0.203 -19.297 -0.668 659 HD2 HIS 86 HD2 HIS 86 0.244 -17.607 3.135 660 HE1 HIS 86 HE1 HIS 86 0.136 -21.232 0.941 661 HE2 HIS 86 HE2 HIS 86 -0.099 -20.168 3.213 662 H TYR 87 H TYR 87 -2.830 -14.144 0.284 663 HA TYR 87 HA TYR 87 -1.008 -12.019 -0.597 664 HB2 TYR 87 HB2 TYR 87 -3.607 -12.852 -1.848 665 HB3 TYR 87 HB3 TYR 87 -3.134 -11.159 -1.880 666 HD1 TYR 87 HD1 TYR 87 -0.850 -10.594 -2.927 667 HD2 TYR 87 HD2 TYR 87 -2.801 -14.339 -3.446 668 HE1 TYR 87 HE1 TYR 87 0.532 -11.033 -4.914 669 HE2 TYR 87 HE2 TYR 87 -1.425 -14.789 -5.434 670 HH TYR 87 HH TYR 87 -0.164 -13.373 -7.166 671 H ASN 88 H ASN 88 -1.632 -9.913 0.103 672 HA ASN 88 HA ASN 88 -3.631 -9.952 2.240 673 HB2 ASN 88 HB2 ASN 88 -1.264 -8.193 1.681 674 HB3 ASN 88 HB3 ASN 88 -2.581 -7.616 2.687 675 HD21 ASN 88 HD21 ASN 88 -3.081 -8.777 4.616 676 HD22 ASN 88 HD22 ASN 88 -1.840 -9.686 5.416 677 H THR 89 H THR 89 -5.380 -8.705 2.151 678 HA THR 89 HA THR 89 -5.798 -7.134 -0.303 679 HB THR 89 HB THR 89 -8.052 -8.526 1.131 680 HG1 THR 89 HG1 THR 89 -6.032 -9.846 0.183 681 HG21 THR 89 HG21 THR 89 -7.533 -7.692 -1.732 682 HG22 THR 89 HG22 THR 89 -8.613 -6.891 -0.584 683 HG23 THR 89 HG23 THR 89 -8.993 -8.513 -1.169 684 H TYR 90 H TYR 90 -7.315 -5.281 0.024 685 HA TYR 90 HA TYR 90 -7.355 -4.446 2.831 686 HB2 TYR 90 HB2 TYR 90 -6.043 -2.918 0.579 687 HB3 TYR 90 HB3 TYR 90 -6.449 -2.195 2.131 688 HD1 TYR 90 HD2 TYR 90 -4.535 -5.069 0.694 689 HD2 TYR 90 HD1 TYR 90 -4.861 -2.216 3.830 690 HE1 TYR 90 HE2 TYR 90 -2.392 -5.841 1.607 691 HE2 TYR 90 HE1 TYR 90 -2.711 -2.981 4.748 692 HH TYR 90 HH TYR 90 -0.606 -5.051 3.026 693 H ILE 91 H ILE 91 -9.078 -3.316 3.425 694 HA ILE 91 HA ILE 91 -10.932 -2.466 1.303 695 HB ILE 91 HB ILE 91 -11.411 -4.022 3.610 696 HG12 ILE 91 HG12 ILE 91 -13.757 -3.938 2.798 697 HG13 ILE 91 HG13 ILE 91 -13.299 -2.624 1.717 698 HG21 ILE 91 HG21 ILE 91 -11.550 -1.997 4.960 699 HG22 ILE 91 HG22 ILE 91 -12.739 -1.322 3.845 700 HG23 ILE 91 HG23 ILE 91 -13.135 -2.752 4.799 701 HD11 ILE 91 HD11 ILE 91 -13.413 -4.753 0.547 702 HD12 ILE 91 HD12 ILE 91 -11.768 -4.116 0.548 703 HD13 ILE 91 HD13 ILE 91 -12.206 -5.428 1.640 704 H SER 92 H SER 92 -11.871 -0.437 1.468 705 HA SER 92 HA SER 92 -10.067 1.529 2.558 706 HB2 SER 92 HB2 SER 92 -11.519 3.099 1.280 707 HB3 SER 92 HB3 SER 92 -10.854 1.795 0.291 708 HG SER 92 HG SER 92 -13.445 2.389 0.933 709 H LYS 93 H LYS 93 -10.265 1.715 4.657 710 HA LYS 93 HA LYS 93 -12.791 1.459 5.988 711 HB2 LYS 93 HB2 LYS 93 -9.944 1.674 6.746 712 HB3 LYS 93 HB3 LYS 93 -11.123 2.186 7.953 713 HG2 LYS 93 HG2 LYS 93 -11.630 -0.375 6.611 714 HG3 LYS 93 HG3 LYS 93 -10.238 -0.316 7.691 715 HD2 LYS 93 HD2 LYS 93 -13.044 0.507 8.442 716 HD3 LYS 93 HD3 LYS 93 -12.316 -1.056 8.823 717 HE2 LYS 93 HE2 LYS 93 -10.549 0.104 10.090 718 HE3 LYS 93 HE3 LYS 93 -11.335 1.644 9.749 719 HZ1 LYS 93 HZ1 LYS 93 -13.304 0.826 10.933 720 HZ2 LYS 93 HZ2 LYS 93 -11.935 0.870 11.932 721 HZ3 LYS 93 HZ3 LYS 93 -12.483 -0.607 11.313 722 H LYS 94 H LYS 94 -11.299 4.066 4.524 723 HA LYS 94 HA LYS 94 -12.019 6.087 6.391 724 HB2 LYS 94 HB2 LYS 94 -10.441 6.674 4.642 725 HB3 LYS 94 HB3 LYS 94 -11.601 6.270 3.386 726 HG2 LYS 94 HG2 LYS 94 -12.711 8.209 3.573 727 HG3 LYS 94 HG3 LYS 94 -12.418 8.351 5.312 728 HD2 LYS 94 HD2 LYS 94 -9.990 8.517 3.695 729 HD3 LYS 94 HD3 LYS 94 -11.158 9.789 3.337 730 HE2 LYS 94 HE2 LYS 94 -9.525 10.407 5.100 731 HE3 LYS 94 HE3 LYS 94 -11.203 10.481 5.632 732 HZ1 LYS 94 HZ1 LYS 94 -10.945 8.434 6.805 733 HZ2 LYS 94 HZ2 LYS 94 -9.668 9.454 7.257 734 HZ3 LYS 94 HZ3 LYS 94 -9.395 8.181 6.167 735 H HIS 95 H HIS 95 -13.534 5.433 3.248 736 HA HIS 95 HA HIS 95 -16.111 5.681 4.608 737 HB2 HIS 95 HB2 HIS 95 -15.476 5.754 1.662 738 HB3 HIS 95 HB3 HIS 95 -17.111 5.775 2.327 739 HD1 HIS 95 HD1 HIS 95 -14.534 7.979 1.253 740 HD2 HIS 95 HD2 HIS 95 -17.390 8.059 4.265 741 HE1 HIS 95 HE1 HIS 95 -14.602 10.348 2.055 742 HE2 HIS 95 HE2 HIS 95 -16.251 10.364 3.959 743 H ALA 96 H ALA 96 -14.926 3.479 5.417 744 HA ALA 96 HA ALA 96 -15.086 1.118 4.055 745 HB1 ALA 96 HB1 ALA 96 -15.963 1.541 6.910 746 HB2 ALA 96 HB2 ALA 96 -15.469 0.010 6.190 747 HB3 ALA 96 HB3 ALA 96 -14.301 1.319 6.367 748 H GLU 97 H GLU 97 -17.712 3.014 5.273 749 HA GLU 97 HA GLU 97 -19.842 1.256 5.188 750 HB2 GLU 97 HB2 GLU 97 -21.208 3.335 4.766 751 HB3 GLU 97 HB3 GLU 97 -20.131 3.403 6.157 752 HG2 GLU 97 HG2 GLU 97 -18.534 4.709 4.917 753 HG3 GLU 97 HG3 GLU 97 -19.493 4.553 3.447 754 H LYS 98 H LYS 98 -18.053 2.582 2.499 755 HA LYS 98 HA LYS 98 -20.319 2.209 0.677 756 HB2 LYS 98 HB2 LYS 98 -18.075 3.898 0.751 757 HB3 LYS 98 HB3 LYS 98 -17.846 2.854 -0.640 758 HG2 LYS 98 HG2 LYS 98 -18.978 4.763 -1.433 759 HG3 LYS 98 HG3 LYS 98 -20.177 3.472 -1.359 760 HD2 LYS 98 HD2 LYS 98 -21.197 5.442 -0.486 761 HD3 LYS 98 HD3 LYS 98 -20.870 4.371 0.878 762 HE2 LYS 98 HE2 LYS 98 -18.927 5.644 1.482 763 HE3 LYS 98 HE3 LYS 98 -19.070 6.634 0.031 764 HZ1 LYS 98 HZ1 LYS 98 -20.897 6.590 2.374 765 HZ2 LYS 98 HZ2 LYS 98 -21.272 7.366 0.910 766 HZ3 LYS 98 HZ3 LYS 98 -19.942 7.880 1.822 767 H ASN 99 H ASN 99 -17.719 0.414 1.848 768 HA ASN 99 HA ASN 99 -17.408 -1.834 1.601 769 HB2 ASN 99 HB2 ASN 99 -19.447 -1.646 -0.626 770 HB3 ASN 99 HB3 ASN 99 -18.761 -3.146 -0.010 771 HD21 ASN 99 HD21 ASN 99 -19.266 -3.802 2.103 772 HD22 ASN 99 HD22 ASN 99 -20.695 -3.223 2.898 773 H TRP 100 H TRP 100 -15.990 0.327 0.054 774 HA TRP 100 HA TRP 100 -15.408 -0.757 -2.524 775 HB2 TRP 100 HB2 TRP 100 -14.041 1.414 -0.935 776 HB3 TRP 100 HB3 TRP 100 -13.606 0.977 -2.579 777 HD1 TRP 100 HD1 TRP 100 -16.968 0.714 -3.237 778 HE1 TRP 100 HE1 TRP 100 -18.110 2.950 -3.831 779 HE3 TRP 100 HE3 TRP 100 -13.494 3.899 -1.318 780 HZ2 TRP 100 HZ2 TRP 100 -17.569 5.733 -3.516 781 HZ3 TRP 100 HZ3 TRP 100 -13.857 6.315 -1.499 782 HH2 TRP 100 HH2 TRP 100 -15.833 7.223 -2.568 783 H PHE 101 H PHE 101 -13.589 -1.767 -3.251 784 HA PHE 101 HA PHE 101 -11.789 -2.909 -1.217 785 HB2 PHE 101 HB2 PHE 101 -11.868 -3.556 -4.179 786 HB3 PHE 101 HB3 PHE 101 -11.096 -4.486 -2.901 787 HD1 PHE 101 HD1 PHE 101 -14.314 -3.567 -4.410 788 HD2 PHE 101 HD2 PHE 101 -12.280 -6.128 -1.697 789 HE1 PHE 101 HE1 PHE 101 -16.275 -5.039 -4.345 790 HE2 PHE 101 HE2 PHE 101 -14.237 -7.608 -1.616 791 HZ PHE 101 HZ PHE 101 -16.239 -7.067 -2.961 792 H VAL 102 H VAL 102 -9.863 -1.764 -0.996 793 HA VAL 102 HA VAL 102 -9.161 -0.157 -3.333 794 HB VAL 102 HB VAL 102 -7.844 1.230 -1.699 795 HG11 VAL 102 HG11 VAL 102 -9.906 1.975 -2.711 796 HG12 VAL 102 HG12 VAL 102 -10.845 1.090 -1.508 797 HG13 VAL 102 HG13 VAL 102 -9.866 2.473 -1.019 798 HG21 VAL 102 HG21 VAL 102 -7.802 -0.344 0.164 799 HG22 VAL 102 HG22 VAL 102 -8.575 1.170 0.635 800 HG23 VAL 102 HG23 VAL 102 -9.560 -0.252 0.286 801 H GLY 103 H GLY 103 -7.607 -0.839 -4.468 802 HA2 GLY 103 HA3 GLY 103 -5.202 -1.881 -3.138 803 HA3 GLY 103 HA2 GLY 103 -5.856 -2.712 -4.538 804 H LEU 104 H LEU 104 -3.277 -1.565 -4.340 805 HA LEU 104 HA LEU 104 -3.578 0.699 -6.177 806 HB2 LEU 104 HB2 LEU 104 -1.936 1.873 -5.122 807 HB3 LEU 104 HB3 LEU 104 -2.590 1.005 -3.751 808 HG LEU 104 HG LEU 104 -0.132 0.239 -5.291 809 HD11 LEU 104 HD11 LEU 104 -0.452 1.460 -2.560 810 HD12 LEU 104 HD12 LEU 104 1.071 0.947 -3.292 811 HD13 LEU 104 HD13 LEU 104 0.157 2.280 -3.999 812 HD21 LEU 104 HD21 LEU 104 -1.180 -0.928 -2.729 813 HD22 LEU 104 HD22 LEU 104 -1.297 -1.688 -4.318 814 HD23 LEU 104 HD23 LEU 104 0.286 -1.393 -3.602 815 H LYS 105 H LYS 105 -2.075 0.761 -7.901 816 HA LYS 105 HA LYS 105 -1.167 -1.973 -8.502 817 HB2 LYS 105 HB2 LYS 105 -2.651 -0.768 -10.135 818 HB3 LYS 105 HB3 LYS 105 -1.339 0.371 -10.399 819 HG2 LYS 105 HG2 LYS 105 -1.174 -1.116 -12.180 820 HG3 LYS 105 HG3 LYS 105 0.058 -1.672 -11.048 821 HD2 LYS 105 HD2 LYS 105 -1.060 -3.613 -11.800 822 HD3 LYS 105 HD3 LYS 105 -1.668 -3.306 -10.173 823 HE2 LYS 105 HE2 LYS 105 -3.539 -3.869 -11.535 824 HE3 LYS 105 HE3 LYS 105 -3.623 -2.138 -11.222 825 HZ1 LYS 105 HZ1 LYS 105 -2.587 -3.396 -13.708 826 HZ2 LYS 105 HZ2 LYS 105 -2.683 -1.730 -13.417 827 HZ3 LYS 105 HZ3 LYS 105 -4.102 -2.651 -13.541 828 H LYS 106 H LYS 106 0.774 -2.321 -7.670 829 HA LYS 106 HA LYS 106 2.718 -0.237 -7.600 830 HB2 LYS 106 HB2 LYS 106 4.212 -1.751 -6.570 831 HB3 LYS 106 HB3 LYS 106 2.627 -2.171 -5.946 832 HG2 LYS 106 HG2 LYS 106 3.648 -4.211 -6.357 833 HG3 LYS 106 HG3 LYS 106 2.592 -3.986 -7.751 834 HD2 LYS 106 HD2 LYS 106 4.824 -2.884 -8.714 835 HD3 LYS 106 HD3 LYS 106 5.548 -3.992 -7.551 836 HE2 LYS 106 HE2 LYS 106 3.524 -4.853 -9.604 837 HE3 LYS 106 HE3 LYS 106 5.256 -4.867 -9.911 838 HZ1 LYS 106 HZ1 LYS 106 5.465 -6.334 -7.931 839 HZ2 LYS 106 HZ2 LYS 106 4.610 -7.026 -9.221 840 HZ3 LYS 106 HZ3 LYS 106 3.774 -6.424 -7.875 841 H ASN 107 H ASN 107 1.884 -2.874 -9.786 842 HA ASN 107 HA ASN 107 4.353 -2.631 -11.186 843 HB2 ASN 107 HB2 ASN 107 2.501 -4.513 -11.285 844 HB3 ASN 107 HB3 ASN 107 1.911 -3.541 -12.638 845 HD21 ASN 107 HD21 ASN 107 3.097 -3.436 -14.523 846 HD22 ASN 107 HD22 ASN 107 4.479 -4.443 -14.824 847 H GLY 108 H GLY 108 1.687 -0.591 -10.975 848 HA2 GLY 108 HA3 GLY 108 2.880 0.992 -13.164 849 HA3 GLY 108 HA2 GLY 108 1.159 1.051 -12.796 850 H SER 109 H SER 109 0.526 1.740 -10.849 851 HA SER 109 HA SER 109 1.997 3.492 -9.176 852 HB2 SER 109 HB2 SER 109 0.727 5.566 -9.944 853 HB3 SER 109 HB3 SER 109 1.986 5.022 -11.048 854 HG SER 109 HG SER 109 0.130 5.473 -12.216 855 H CYS 110 H CYS 110 0.168 4.666 -7.725 856 HA CYS 110 HA CYS 110 -1.476 2.396 -7.080 857 HB2 CYS 110 HB2 CYS 110 -2.187 4.036 -5.178 858 HB3 CYS 110 HB3 CYS 110 -0.560 3.364 -5.175 859 HG CYS 110 HG CYS 110 0.764 5.575 -5.562 860 H LYS 111 H LYS 111 -3.395 2.098 -7.747 861 HA LYS 111 HA LYS 111 -4.931 4.208 -9.006 862 HB2 LYS 111 HB2 LYS 111 -4.223 1.464 -10.084 863 HB3 LYS 111 HB3 LYS 111 -5.517 2.457 -10.752 864 HG2 LYS 111 HG2 LYS 111 -4.079 3.974 -11.665 865 HG3 LYS 111 HG3 LYS 111 -2.828 3.682 -10.460 866 HD2 LYS 111 HD2 LYS 111 -2.133 1.679 -11.531 867 HD3 LYS 111 HD3 LYS 111 -3.559 1.673 -12.585 868 HE2 LYS 111 HE2 LYS 111 -2.762 3.805 -13.581 869 HE3 LYS 111 HE3 LYS 111 -1.305 3.680 -12.601 870 HZ1 LYS 111 HZ1 LYS 111 -0.962 2.884 -14.862 871 HZ2 LYS 111 HZ2 LYS 111 -2.168 1.715 -14.655 872 HZ3 LYS 111 HZ3 LYS 111 -0.748 1.634 -13.741 873 H ARG 112 H ARG 112 -6.729 4.296 -7.994 874 HA ARG 112 HA ARG 112 -7.443 2.061 -6.294 875 HB2 ARG 112 HB2 ARG 112 -6.762 4.853 -5.578 876 HB3 ARG 112 HB3 ARG 112 -7.771 3.862 -4.523 877 HG2 ARG 112 HG2 ARG 112 -5.207 2.651 -5.558 878 HG3 ARG 112 HG3 ARG 112 -5.136 3.902 -4.282 879 HD2 ARG 112 HD2 ARG 112 -6.688 2.607 -2.896 880 HD3 ARG 112 HD3 ARG 112 -6.762 1.365 -4.146 881 HE ARG 112 HE ARG 112 -4.241 1.221 -3.738 882 HH11 ARG 112 HH12 ARG 112 -6.559 2.015 -1.249 883 HH12 ARG 112 HH11 ARG 112 -5.624 1.320 0.030 884 HH21 ARG 112 HH22 ARG 112 -2.992 0.304 -2.046 885 HH22 ARG 112 HH21 ARG 112 -3.596 0.341 -0.425 886 H GLY 113 H GLY 113 -9.520 3.539 -4.925 887 HA2 GLY 113 HA3 GLY 113 -11.139 1.628 -5.992 888 HA3 GLY 113 HA2 GLY 113 -11.663 2.884 -4.888 889 HA PRO 114 HA PRO 114 -13.649 4.962 -8.668 890 HB2 PRO 114 HB2 PRO 114 -11.000 5.648 -9.882 891 HB3 PRO 114 HB3 PRO 114 -12.509 6.569 -9.885 892 HG2 PRO 114 HG2 PRO 114 -10.518 7.195 -8.219 893 HG3 PRO 114 HG3 PRO 114 -12.214 7.320 -7.722 894 HD2 PRO 114 HD2 PRO 114 -10.157 5.350 -6.922 895 HD3 PRO 114 HD3 PRO 114 -11.606 5.889 -6.053 896 H ARG 115 H ARG 115 -10.948 2.694 -8.864 897 HA ARG 115 HA ARG 115 -12.098 1.588 -11.308 898 HB2 ARG 115 HB2 ARG 115 -9.521 2.773 -10.992 899 HB3 ARG 115 HB3 ARG 115 -9.302 1.044 -11.228 900 HG2 ARG 115 HG2 ARG 115 -10.810 2.914 -13.043 901 HG3 ARG 115 HG3 ARG 115 -9.217 2.214 -13.344 902 HD2 ARG 115 HD2 ARG 115 -10.227 -0.035 -13.277 903 HD3 ARG 115 HD3 ARG 115 -11.812 0.704 -13.058 904 HE ARG 115 HE ARG 115 -10.241 1.409 -15.434 905 HH11 ARG 115 HH12 ARG 115 -13.022 -0.137 -13.985 906 HH12 ARG 115 HH11 ARG 115 -13.796 -0.481 -15.505 907 HH21 ARG 115 HH22 ARG 115 -11.268 0.994 -17.447 908 HH22 ARG 115 HH21 ARG 115 -12.809 0.180 -17.468 909 H THR 116 H THR 116 -11.475 1.072 -8.082 910 HA THR 116 HA THR 116 -10.886 -1.738 -8.568 911 HB THR 116 HB THR 116 -10.219 -1.866 -6.199 912 HG1 THR 116 HG1 THR 116 -10.870 -0.246 -5.037 913 HG21 THR 116 HG21 THR 116 -8.703 0.162 -7.831 914 HG22 THR 116 HG22 THR 116 -8.552 -1.590 -7.970 915 HG23 THR 116 HG23 THR 116 -8.055 -0.777 -6.485 916 H HIS 117 H HIS 117 -11.837 -2.911 -6.272 917 HA HIS 117 HA HIS 117 -14.128 -3.788 -5.929 918 HB2 HIS 117 HB2 HIS 117 -15.087 -2.010 -7.580 919 HB3 HIS 117 HB3 HIS 117 -14.434 -3.010 -8.868 920 HD1 HIS 117 HD1 HIS 117 -17.086 -3.004 -6.200 921 HD2 HIS 117 HD2 HIS 117 -16.001 -5.169 -9.581 922 HE1 HIS 117 HE1 HIS 117 -19.022 -4.541 -6.676 923 HE2 HIS 117 HE2 HIS 117 -18.430 -5.681 -8.845 924 H TYR 118 H TYR 118 -14.534 -6.010 -7.699 925 HA TYR 118 HA TYR 118 -11.782 -6.568 -8.385 926 HB2 TYR 118 HB2 TYR 118 -13.531 -8.382 -7.908 927 HB3 TYR 118 HB3 TYR 118 -14.191 -8.031 -9.505 928 HD1 TYR 118 HD2 TYR 118 -11.078 -9.073 -7.769 929 HD2 TYR 118 HD1 TYR 118 -13.279 -9.058 -11.409 930 HE1 TYR 118 HE2 TYR 118 -9.423 -10.590 -8.765 931 HE2 TYR 118 HE1 TYR 118 -11.629 -10.576 -12.417 932 HH TYR 118 HH TYR 118 -9.213 -12.171 -10.541 933 H GLY 119 H GLY 119 -11.507 -4.619 -9.321 934 HA2 GLY 119 HA3 GLY 119 -12.257 -4.356 -12.142 935 HA3 GLY 119 HA2 GLY 119 -11.694 -3.026 -11.106 936 H GLN 120 H GLN 120 -9.750 -4.493 -9.775 937 HA GLN 120 HA GLN 120 -7.678 -4.866 -11.799 938 HB2 GLN 120 HB2 GLN 120 -7.980 -2.549 -9.932 939 HB3 GLN 120 HB3 GLN 120 -6.351 -3.190 -10.183 940 HG2 GLN 120 HG2 GLN 120 -6.479 -2.763 -12.530 941 HG3 GLN 120 HG3 GLN 120 -8.188 -2.348 -12.411 942 HE21 GLN 120 HE21 GLN 120 -5.922 -1.321 -9.987 943 HE22 GLN 120 HE22 GLN 120 -5.924 0.351 -10.408 944 H LYS 121 H LYS 121 -6.009 -6.157 -11.128 945 HA LYS 121 HA LYS 121 -6.311 -7.579 -8.632 946 HB2 LYS 121 HB2 LYS 121 -4.206 -7.803 -10.803 947 HB3 LYS 121 HB3 LYS 121 -4.269 -8.828 -9.380 948 HG2 LYS 121 HG2 LYS 121 -5.244 -10.127 -11.035 949 HG3 LYS 121 HG3 LYS 121 -6.630 -9.452 -10.179 950 HD2 LYS 121 HD2 LYS 121 -6.909 -7.767 -11.895 951 HD3 LYS 121 HD3 LYS 121 -5.459 -8.335 -12.725 952 HE2 LYS 121 HE2 LYS 121 -6.593 -10.559 -12.978 953 HE3 LYS 121 HE3 LYS 121 -8.061 -9.807 -12.358 954 HZ1 LYS 121 HZ1 LYS 121 -7.985 -9.872 -14.792 955 HZ2 LYS 121 HZ2 LYS 121 -6.587 -8.914 -14.778 956 HZ3 LYS 121 HZ3 LYS 121 -8.056 -8.282 -14.207 957 H ALA 122 H ALA 122 -5.325 -4.672 -9.216 958 HA ALA 122 HA ALA 122 -2.846 -4.367 -7.917 959 HB1 ALA 122 HB1 ALA 122 -3.523 -2.027 -7.675 960 HB2 ALA 122 HB2 ALA 122 -3.881 -2.627 -9.295 961 HB3 ALA 122 HB3 ALA 122 -5.177 -2.459 -8.111 962 H ILE 123 H ILE 123 -5.884 -5.294 -6.827 963 HA ILE 123 HA ILE 123 -5.602 -4.320 -4.112 964 HB ILE 123 HB ILE 123 -7.670 -6.189 -5.286 965 HG12 ILE 123 HG12 ILE 123 -7.755 -3.179 -5.005 966 HG13 ILE 123 HG13 ILE 123 -7.572 -4.061 -6.518 967 HG21 ILE 123 HG21 ILE 123 -9.076 -5.393 -3.417 968 HG22 ILE 123 HG22 ILE 123 -7.621 -6.209 -2.846 969 HG23 ILE 123 HG23 ILE 123 -7.716 -4.450 -2.812 970 HD11 ILE 123 HD11 ILE 123 -9.845 -3.293 -6.225 971 HD12 ILE 123 HD12 ILE 123 -9.776 -5.054 -6.193 972 HD13 ILE 123 HD13 ILE 123 -9.955 -4.152 -4.689 973 H LEU 124 H LEU 124 -4.252 -6.780 -5.821 974 HA LEU 124 HA LEU 124 -4.195 -8.594 -3.503 975 HB2 LEU 124 HB2 LEU 124 -3.539 -9.115 -6.404 976 HB3 LEU 124 HB3 LEU 124 -3.342 -10.289 -5.117 977 HG LEU 124 HG LEU 124 -5.970 -9.076 -5.983 978 HD11 LEU 124 HD11 LEU 124 -4.844 -11.838 -6.426 979 HD12 LEU 124 HD12 LEU 124 -6.461 -11.293 -6.870 980 HD13 LEU 124 HD13 LEU 124 -5.048 -10.593 -7.658 981 HD21 LEU 124 HD21 LEU 124 -5.939 -9.638 -3.613 982 HD22 LEU 124 HD22 LEU 124 -6.967 -10.754 -4.511 983 HD23 LEU 124 HD23 LEU 124 -5.359 -11.260 -3.994 984 H PHE 125 H PHE 125 -2.621 -7.432 -2.332 985 HA PHE 125 HA PHE 125 0.038 -7.646 -3.538 986 HB2 PHE 125 HB2 PHE 125 0.560 -5.696 -1.844 987 HB3 PHE 125 HB3 PHE 125 0.099 -5.406 -3.505 988 HD1 PHE 125 HD2 PHE 125 -2.739 -5.402 -3.580 989 HD2 PHE 125 HD1 PHE 125 -0.180 -4.136 -0.428 990 HE1 PHE 125 HE2 PHE 125 -4.475 -3.847 -2.799 991 HE2 PHE 125 HE1 PHE 125 -1.906 -2.571 0.349 992 HZ PHE 125 HZ PHE 125 -4.058 -2.424 -0.836 993 H LEU 126 H LEU 126 1.806 -7.679 -2.064 994 HA LEU 126 HA LEU 126 1.258 -8.957 0.505 995 HB2 LEU 126 HB2 LEU 126 1.787 -10.521 -1.554 996 HB3 LEU 126 HB3 LEU 126 3.424 -9.951 -1.335 997 HG LEU 126 HG LEU 126 2.905 -12.183 -0.312 998 HD11 LEU 126 HD11 LEU 126 4.121 -11.769 1.757 999 HD12 LEU 126 HD12 LEU 126 4.833 -10.880 0.409 1000 HD13 LEU 126 HD13 LEU 126 3.829 -10.036 1.588 1001 HD21 LEU 126 HD21 LEU 126 0.662 -11.708 0.490 1002 HD22 LEU 126 HD22 LEU 126 1.704 -12.215 1.820 1003 HD23 LEU 126 HD23 LEU 126 1.301 -10.510 1.615 1004 HA PRO 127 HA PRO 127 4.563 -6.052 1.267 1005 HB2 PRO 127 HB2 PRO 127 4.312 -6.029 3.970 1006 HB3 PRO 127 HB3 PRO 127 3.133 -5.278 2.891 1007 HG2 PRO 127 HG2 PRO 127 2.838 -7.646 4.561 1008 HG3 PRO 127 HG3 PRO 127 1.595 -6.736 3.690 1009 HD2 PRO 127 HD2 PRO 127 2.967 -9.209 2.918 1010 HD3 PRO 127 HD3 PRO 127 1.493 -8.483 2.241 1011 H LEU 128 H LEU 128 6.581 -6.704 0.935 1012 HA LEU 128 HA LEU 128 7.751 -8.781 2.658 1013 HB2 LEU 128 HB2 LEU 128 8.686 -7.692 -0.005 1014 HB3 LEU 128 HB3 LEU 128 9.512 -8.929 0.921 1015 HG LEU 128 HG LEU 128 6.735 -9.223 -0.228 1016 HD11 LEU 128 HD11 LEU 128 8.427 -9.060 -1.986 1017 HD12 LEU 128 HD12 LEU 128 9.359 -10.338 -1.207 1018 HD13 LEU 128 HD13 LEU 128 7.765 -10.690 -1.874 1019 HD21 LEU 128 HD21 LEU 128 8.597 -11.230 1.038 1020 HD22 LEU 128 HD22 LEU 128 7.127 -10.579 1.764 1021 HD23 LEU 128 HD23 LEU 128 7.026 -11.584 0.320 1022 HA PRO 129 HA PRO 129 9.828 -5.264 4.408 1023 HB2 PRO 129 HB2 PRO 129 10.950 -6.454 6.512 1024 HB3 PRO 129 HB3 PRO 129 9.190 -6.290 6.381 1025 HG2 PRO 129 HG2 PRO 129 10.911 -8.680 5.863 1026 HG3 PRO 129 HG3 PRO 129 9.334 -8.589 6.665 1027 HD2 PRO 129 HD2 PRO 129 9.748 -9.305 4.010 1028 HD3 PRO 129 HD3 PRO 129 8.209 -8.739 4.689 1029 H VAL 130 H VAL 130 11.911 -4.380 4.517 1030 HA VAL 130 HA VAL 130 13.672 -5.629 2.631 1031 HB VAL 130 HB VAL 130 14.952 -3.513 2.743 1032 HG11 VAL 130 HG11 VAL 130 13.261 -2.129 1.647 1033 HG12 VAL 130 HG12 VAL 130 13.164 -3.807 1.112 1034 HG13 VAL 130 HG13 VAL 130 11.994 -3.185 2.274 1035 HG21 VAL 130 HG21 VAL 130 14.050 -1.599 3.941 1036 HG22 VAL 130 HG22 VAL 130 12.772 -2.612 4.614 1037 HG23 VAL 130 HG23 VAL 130 14.454 -2.902 5.060 1038 H SER 131 H SER 131 15.802 -6.123 2.949 1039 HA SER 131 HA SER 131 16.233 -7.427 5.436 1040 HB2 SER 131 HB2 SER 131 18.175 -7.082 3.148 1041 HB3 SER 131 HB3 SER 131 18.173 -8.355 4.368 1042 HG SER 131 HG SER 131 16.064 -8.960 3.499 1043 H SER 132 H SER 132 17.091 -6.535 7.187 1044 HA SER 132 HA SER 132 19.285 -4.621 6.824 1045 HB2 SER 132 HB2 SER 132 18.814 -4.087 9.295 1046 HB3 SER 132 HB3 SER 132 17.631 -3.522 8.117 1047 HG SER 132 HG SER 132 16.801 -4.618 10.064 1048 H ASP 133 H ASP 133 20.654 -6.405 6.372 1049 HA ASP 133 HA ASP 133 21.585 -7.742 8.799 1050 HB2 ASP 133 HB2 ASP 133 22.070 -9.803 7.466 1051 HB3 ASP 133 HB3 ASP 133 20.357 -9.465 7.659 Start of MODEL 9 1 H1 TYR 1 H1 TYR 1 14.752 -9.213 11.655 2 H2 TYR 1 H2 TYR 1 15.348 -10.643 10.970 3 H3 TYR 1 H3 TYR 1 13.673 -10.377 11.062 4 HA TYR 1 HA TYR 1 15.611 -8.828 9.445 5 HB2 TYR 1 HB2 TYR 1 14.324 -9.686 7.502 6 HB3 TYR 1 HB3 TYR 1 15.174 -10.966 8.388 7 HD1 TYR 1 HD2 TYR 1 13.859 -12.506 9.853 8 HD2 TYR 1 HD1 TYR 1 11.953 -9.694 7.289 9 HE1 TYR 1 HE2 TYR 1 11.751 -13.752 10.065 10 HE2 TYR 1 HE1 TYR 1 9.838 -10.932 7.498 11 HH TYR 1 HH TYR 1 9.319 -13.312 9.849 12 H LYS 2 H LYS 2 12.512 -8.866 11.014 13 HA LYS 2 HA LYS 2 11.051 -7.513 9.028 14 HB2 LYS 2 HB2 LYS 2 10.154 -8.765 11.056 15 HB3 LYS 2 HB3 LYS 2 10.518 -7.320 11.988 16 HG2 LYS 2 HG2 LYS 2 8.949 -6.028 10.758 17 HG3 LYS 2 HG3 LYS 2 8.720 -7.319 9.577 18 HD2 LYS 2 HD2 LYS 2 7.858 -8.750 11.445 19 HD3 LYS 2 HD3 LYS 2 7.907 -7.321 12.479 20 HE2 LYS 2 HE2 LYS 2 6.301 -6.195 11.112 21 HE3 LYS 2 HE3 LYS 2 6.373 -7.465 9.890 22 HZ1 LYS 2 HZ1 LYS 2 5.249 -7.664 12.631 23 HZ2 LYS 2 HZ2 LYS 2 5.529 -9.009 11.638 24 HZ3 LYS 2 HZ3 LYS 2 4.421 -7.822 11.158 25 H LYS 3 H LYS 3 10.684 -5.485 8.606 26 HA LYS 3 HA LYS 3 11.621 -3.253 10.129 27 HB2 LYS 3 HB2 LYS 3 13.120 -4.257 7.719 28 HB3 LYS 3 HB3 LYS 3 13.028 -2.530 8.019 29 HG2 LYS 3 HG2 LYS 3 14.060 -2.891 10.228 30 HG3 LYS 3 HG3 LYS 3 14.216 -4.608 9.841 31 HD2 LYS 3 HD2 LYS 3 15.661 -4.113 7.987 32 HD3 LYS 3 HD3 LYS 3 15.397 -2.380 8.187 33 HE2 LYS 3 HE2 LYS 3 16.766 -4.214 10.150 34 HE3 LYS 3 HE3 LYS 3 17.558 -3.050 9.089 35 HZ1 LYS 3 HZ1 LYS 3 16.151 -1.319 10.246 36 HZ2 LYS 3 HZ2 LYS 3 17.401 -2.009 11.157 37 HZ3 LYS 3 HZ3 LYS 3 15.796 -2.506 11.407 38 HA PRO 4 HA PRO 4 8.997 -0.750 7.230 39 HB2 PRO 4 HB2 PRO 4 11.207 -0.400 5.324 40 HB3 PRO 4 HB3 PRO 4 10.219 0.816 6.133 41 HG2 PRO 4 HG2 PRO 4 12.849 -0.102 6.835 42 HG3 PRO 4 HG3 PRO 4 11.883 1.162 7.611 43 HD2 PRO 4 HD2 PRO 4 12.547 -1.252 8.773 44 HD3 PRO 4 HD3 PRO 4 11.168 -0.244 9.257 45 H LYS 5 H LYS 5 7.669 -1.584 5.860 46 HA LYS 5 HA LYS 5 8.327 -4.037 4.445 47 HB2 LYS 5 HB2 LYS 5 6.394 -4.224 5.784 48 HB3 LYS 5 HB3 LYS 5 5.788 -2.656 5.278 49 HG2 LYS 5 HG2 LYS 5 5.376 -3.589 3.025 50 HG3 LYS 5 HG3 LYS 5 5.880 -5.171 3.629 51 HD2 LYS 5 HD2 LYS 5 4.047 -5.334 5.070 52 HD3 LYS 5 HD3 LYS 5 3.716 -3.603 4.988 53 HE2 LYS 5 HE2 LYS 5 3.035 -3.847 2.651 54 HE3 LYS 5 HE3 LYS 5 3.362 -5.577 2.737 55 HZ1 LYS 5 HZ1 LYS 5 1.003 -5.084 3.022 56 HZ2 LYS 5 HZ2 LYS 5 1.345 -4.128 4.368 57 HZ3 LYS 5 HZ3 LYS 5 1.641 -5.793 4.421 58 H LEU 6 H LEU 6 7.807 -4.344 2.270 59 HA LEU 6 HA LEU 6 7.800 -1.932 0.606 60 HB2 LEU 6 HB2 LEU 6 9.522 -3.391 -0.065 61 HB3 LEU 6 HB3 LEU 6 8.518 -4.813 0.129 62 HG LEU 6 HG LEU 6 7.158 -3.619 -1.846 63 HD11 LEU 6 HD11 LEU 6 10.017 -2.764 -2.306 64 HD12 LEU 6 HD12 LEU 6 8.696 -2.651 -3.469 65 HD13 LEU 6 HD13 LEU 6 8.648 -1.695 -1.990 66 HD21 LEU 6 HD21 LEU 6 8.391 -5.080 -3.395 67 HD22 LEU 6 HD22 LEU 6 9.614 -5.335 -2.149 68 HD23 LEU 6 HD23 LEU 6 7.959 -5.889 -1.888 69 H LEU 7 H LEU 7 6.195 -1.489 -0.785 70 HA LEU 7 HA LEU 7 3.714 -3.031 -0.569 71 HB2 LEU 7 HB2 LEU 7 3.426 -0.706 -0.197 72 HB3 LEU 7 HB3 LEU 7 4.422 -0.281 -1.571 73 HG LEU 7 HG LEU 7 2.136 -1.772 -2.471 74 HD11 LEU 7 HD11 LEU 7 1.065 -0.973 -0.422 75 HD12 LEU 7 HD12 LEU 7 1.539 0.680 -0.814 76 HD13 LEU 7 HD13 LEU 7 0.394 -0.176 -1.844 77 HD21 LEU 7 HD21 LEU 7 1.825 0.215 -3.858 78 HD22 LEU 7 HD22 LEU 7 2.981 1.103 -2.863 79 HD23 LEU 7 HD23 LEU 7 3.519 -0.269 -3.834 80 H TYR 8 H TYR 8 4.062 -4.791 -1.804 81 HA TYR 8 HA TYR 8 4.757 -4.380 -4.659 82 HB2 TYR 8 HB2 TYR 8 6.148 -5.768 -2.981 83 HB3 TYR 8 HB3 TYR 8 4.849 -6.939 -3.063 84 HD1 TYR 8 HD2 TYR 8 7.548 -5.313 -4.974 85 HD2 TYR 8 HD1 TYR 8 4.676 -8.451 -4.900 86 HE1 TYR 8 HE2 TYR 8 8.673 -6.381 -6.880 87 HE2 TYR 8 HE1 TYR 8 5.805 -9.532 -6.800 88 HH TYR 8 HH TYR 8 8.874 -8.756 -7.788 89 H CYS 9 H CYS 9 2.598 -4.066 -5.550 90 HA CYS 9 HA CYS 9 0.845 -6.455 -5.433 91 HB2 CYS 9 HB2 CYS 9 -0.387 -4.468 -4.806 92 HB3 CYS 9 HB3 CYS 9 0.206 -3.601 -6.219 93 HG CYS 9 HG CYS 9 -1.881 -6.307 -6.339 94 H SER 10 H SER 10 0.352 -7.495 -7.561 95 HA SER 10 HA SER 10 2.759 -6.830 -9.068 96 HB2 SER 10 HB2 SER 10 1.727 -9.572 -8.388 97 HB3 SER 10 HB3 SER 10 3.197 -9.214 -9.297 98 HG SER 10 HG SER 10 2.947 -9.419 -6.696 99 H ASN 11 H ASN 11 1.840 -5.891 -10.931 100 HA ASN 11 HA ASN 11 1.661 -8.160 -12.764 101 HB2 ASN 11 HB2 ASN 11 0.639 -5.975 -13.478 102 HB3 ASN 11 HB3 ASN 11 2.228 -5.228 -13.351 103 HD21 ASN 11 HD21 ASN 11 3.733 -5.572 -14.942 104 HD22 ASN 11 HD22 ASN 11 3.372 -6.390 -16.423 105 H GLY 12 H GLY 12 3.819 -8.224 -14.248 106 HA2 GLY 12 HA3 GLY 12 5.552 -9.231 -12.261 107 HA3 GLY 12 HA2 GLY 12 5.848 -9.259 -13.983 108 H GLY 13 H GLY 13 6.074 -7.163 -11.124 109 HA2 GLY 13 HA3 GLY 13 8.249 -6.762 -10.239 110 HA3 GLY 13 HA2 GLY 13 8.894 -6.795 -11.867 111 H HIS 14 H HIS 14 6.860 -4.920 -9.705 112 HA HIS 14 HA HIS 14 8.414 -2.570 -10.441 113 HB2 HIS 14 HB2 HIS 14 5.430 -2.745 -10.336 114 HB3 HIS 14 HB3 HIS 14 6.218 -1.251 -9.834 115 HD1 HIS 14 HD1 HIS 14 5.838 -3.479 -12.874 116 HD2 HIS 14 HD2 HIS 14 7.132 0.342 -11.890 117 HE1 HIS 14 HE1 HIS 14 6.233 -2.316 -15.062 118 HE2 HIS 14 HE2 HIS 14 7.165 -0.063 -14.444 119 H PHE 15 H PHE 15 8.215 -0.872 -8.563 120 HA PHE 15 HA PHE 15 7.632 -2.107 -5.987 121 HB2 PHE 15 HB2 PHE 15 10.318 -0.866 -6.681 122 HB3 PHE 15 HB3 PHE 15 9.812 -1.312 -5.059 123 HD1 PHE 15 HD1 PHE 15 10.882 -2.564 -8.327 124 HD2 PHE 15 HD2 PHE 15 9.825 -3.615 -4.344 125 HE1 PHE 15 HE1 PHE 15 11.807 -4.814 -8.681 126 HE2 PHE 15 HE2 PHE 15 10.751 -5.868 -4.687 127 HZ PHE 15 HZ PHE 15 11.772 -6.465 -6.823 128 H LEU 16 H LEU 16 6.745 -0.539 -4.586 129 HA LEU 16 HA LEU 16 6.114 1.918 -5.751 130 HB2 LEU 16 HB2 LEU 16 4.731 2.233 -3.999 131 HB3 LEU 16 HB3 LEU 16 5.058 0.533 -3.714 132 HG LEU 16 HG LEU 16 6.852 2.552 -2.447 133 HD11 LEU 16 HD11 LEU 16 4.653 3.418 -1.995 134 HD12 LEU 16 HD12 LEU 16 4.127 1.838 -1.409 135 HD13 LEU 16 HD13 LEU 16 5.368 2.737 -0.532 136 HD21 LEU 16 HD21 LEU 16 6.941 0.869 -0.674 137 HD22 LEU 16 HD22 LEU 16 5.793 -0.128 -1.568 138 HD23 LEU 16 HD23 LEU 16 7.392 0.196 -2.241 139 H ARG 17 H ARG 17 6.684 3.827 -5.410 140 HA ARG 17 HA ARG 17 9.262 4.428 -4.127 141 HB2 ARG 17 HB2 ARG 17 9.393 3.775 -6.568 142 HB3 ARG 17 HB3 ARG 17 8.373 5.151 -6.929 143 HG2 ARG 17 HG2 ARG 17 10.114 6.646 -6.098 144 HG3 ARG 17 HG3 ARG 17 11.141 5.241 -5.767 145 HD2 ARG 17 HD2 ARG 17 10.923 4.586 -8.156 146 HD3 ARG 17 HD3 ARG 17 10.046 6.094 -8.443 147 HE ARG 17 HE ARG 17 12.847 6.014 -7.502 148 HH11 ARG 17 HH12 ARG 17 10.306 7.357 -9.521 149 HH12 ARG 17 HH11 ARG 17 11.338 8.575 -10.215 150 HH21 ARG 17 HH22 ARG 17 14.191 7.604 -8.417 151 HH22 ARG 17 HH21 ARG 17 13.549 8.713 -9.586 152 H ILE 18 H ILE 18 9.051 6.438 -2.950 153 HA ILE 18 HA ILE 18 6.615 7.885 -3.628 154 HB ILE 18 HB ILE 18 6.886 9.129 -1.609 155 HG12 ILE 18 HG12 ILE 18 8.877 8.031 -0.106 156 HG13 ILE 18 HG13 ILE 18 9.624 8.077 -1.699 157 HG21 ILE 18 HG21 ILE 18 6.698 7.313 0.030 158 HG22 ILE 18 HG22 ILE 18 5.791 6.982 -1.447 159 HG23 ILE 18 HG23 ILE 18 7.343 6.190 -1.167 160 HD11 ILE 18 HD11 ILE 18 9.184 10.469 -1.841 161 HD12 ILE 18 HD12 ILE 18 8.422 10.426 -0.250 162 HD13 ILE 18 HD13 ILE 18 10.142 10.072 -0.414 163 H LEU 19 H LEU 19 6.561 9.652 -4.716 164 HA LEU 19 HA LEU 19 8.994 11.272 -5.007 165 HB2 LEU 19 HB2 LEU 19 6.370 11.317 -6.522 166 HB3 LEU 19 HB3 LEU 19 7.636 12.510 -6.735 167 HG LEU 19 HG LEU 19 9.154 10.599 -7.433 168 HD11 LEU 19 HD11 LEU 19 8.077 8.568 -8.241 169 HD12 LEU 19 HD12 LEU 19 7.854 8.760 -6.502 170 HD13 LEU 19 HD13 LEU 19 6.529 9.128 -7.608 171 HD21 LEU 19 HD21 LEU 19 8.243 10.532 -9.702 172 HD22 LEU 19 HD22 LEU 19 6.720 11.194 -9.106 173 HD23 LEU 19 HD23 LEU 19 8.194 12.161 -9.026 174 HA PRO 20 HA PRO 20 7.476 13.594 -1.720 175 HB2 PRO 20 HB2 PRO 20 8.892 15.966 -2.687 176 HB3 PRO 20 HB3 PRO 20 9.240 14.958 -1.279 177 HG2 PRO 20 HG2 PRO 20 10.838 14.966 -3.441 178 HG3 PRO 20 HG3 PRO 20 10.554 13.492 -2.497 179 HD2 PRO 20 HD2 PRO 20 9.303 14.350 -5.088 180 HD3 PRO 20 HD3 PRO 20 9.938 12.756 -4.621 181 H ASP 21 H ASP 21 6.464 14.279 -4.744 182 HA ASP 21 HA ASP 21 4.922 16.650 -4.109 183 HB2 ASP 21 HB2 ASP 21 4.853 14.827 -6.530 184 HB3 ASP 21 HB3 ASP 21 3.948 16.330 -6.370 185 H GLY 22 H GLY 22 4.698 13.257 -3.866 186 HA2 GLY 22 HA3 GLY 22 3.072 12.481 -2.210 187 HA3 GLY 22 HA2 GLY 22 1.898 13.537 -2.977 188 H THR 23 H THR 23 4.174 11.081 -4.286 189 HA THR 23 HA THR 23 1.834 9.736 -5.432 190 HB THR 23 HB THR 23 4.521 9.397 -6.577 191 HG1 THR 23 HG1 THR 23 3.035 11.804 -6.652 192 HG21 THR 23 HG21 THR 23 1.774 9.714 -7.756 193 HG22 THR 23 HG22 THR 23 2.626 8.195 -7.482 194 HG23 THR 23 HG23 THR 23 3.235 9.346 -8.671 195 H VAL 24 H VAL 24 1.643 7.611 -4.931 196 HA VAL 24 HA VAL 24 4.113 6.149 -4.248 197 HB VAL 24 HB VAL 24 2.590 5.905 -2.423 198 HG11 VAL 24 HG11 VAL 24 0.553 5.284 -4.533 199 HG12 VAL 24 HG12 VAL 24 0.274 5.065 -2.802 200 HG13 VAL 24 HG13 VAL 24 0.580 6.676 -3.453 201 HG21 VAL 24 HG21 VAL 24 2.355 3.470 -4.191 202 HG22 VAL 24 HG22 VAL 24 3.688 3.828 -3.094 203 HG23 VAL 24 HG23 VAL 24 2.079 3.507 -2.449 204 H ASP 25 H ASP 25 4.814 5.476 -6.165 205 HA ASP 25 HA ASP 25 3.058 3.690 -7.657 206 HB2 ASP 25 HB2 ASP 25 3.735 4.552 -9.798 207 HB3 ASP 25 HB3 ASP 25 3.200 5.920 -8.832 208 H GLY 26 H GLY 26 4.028 2.194 -9.088 209 HA2 GLY 26 HA3 GLY 26 6.508 1.296 -7.844 210 HA3 GLY 26 HA2 GLY 26 5.506 0.354 -8.909 211 H THR 27 H THR 27 8.269 1.077 -8.650 212 HA THR 27 HA THR 27 8.967 1.273 -11.454 213 HB THR 27 HB THR 27 10.005 3.033 -9.239 214 HG1 THR 27 HG1 THR 27 8.364 3.855 -10.660 215 HG21 THR 27 HG21 THR 27 11.424 2.476 -11.841 216 HG22 THR 27 HG22 THR 27 11.927 1.897 -10.248 217 HG23 THR 27 HG23 THR 27 11.924 3.631 -10.603 218 H ARG 28 H ARG 28 10.966 -0.092 -11.819 219 HA ARG 28 HA ARG 28 11.113 -1.833 -9.513 220 HB2 ARG 28 HB2 ARG 28 12.666 -3.216 -10.823 221 HB3 ARG 28 HB3 ARG 28 11.197 -2.886 -11.722 222 HG2 ARG 28 HG2 ARG 28 12.317 -1.332 -13.134 223 HG3 ARG 28 HG3 ARG 28 13.763 -1.370 -12.120 224 HD2 ARG 28 HD2 ARG 28 12.639 -3.683 -13.698 225 HD3 ARG 28 HD3 ARG 28 14.062 -2.731 -14.128 226 HE ARG 28 HE ARG 28 15.093 -3.591 -12.050 227 HH11 ARG 28 HH12 ARG 28 12.392 -5.333 -13.457 228 HH12 ARG 28 HH11 ARG 28 12.841 -6.858 -12.746 229 HH21 ARG 28 HH22 ARG 28 15.659 -5.578 -11.087 230 HH22 ARG 28 HH21 ARG 28 14.688 -6.990 -11.373 231 H ASP 29 H ASP 29 12.143 -1.327 -7.970 232 HA ASP 29 HA ASP 29 14.670 0.091 -8.026 233 HB2 ASP 29 HB2 ASP 29 12.657 1.561 -7.505 234 HB3 ASP 29 HB3 ASP 29 12.452 0.613 -6.037 235 H ARG 30 H ARG 30 15.429 0.034 -5.583 236 HA ARG 30 HA ARG 30 16.315 -2.722 -5.624 237 HB2 ARG 30 HB2 ARG 30 17.169 -0.085 -4.575 238 HB3 ARG 30 HB3 ARG 30 17.990 -1.552 -4.008 239 HG2 ARG 30 HG2 ARG 30 18.611 -2.105 -6.309 240 HG3 ARG 30 HG3 ARG 30 17.778 -0.659 -6.885 241 HD2 ARG 30 HD2 ARG 30 19.998 -0.530 -4.865 242 HD3 ARG 30 HD3 ARG 30 20.310 -0.523 -6.599 243 HE ARG 30 HE ARG 30 18.502 1.457 -6.313 244 HH11 ARG 30 HH12 ARG 30 21.453 0.766 -4.543 245 HH12 ARG 30 HH11 ARG 30 21.866 2.443 -4.355 246 HH21 ARG 30 HH22 ARG 30 19.052 3.642 -6.064 247 HH22 ARG 30 HH21 ARG 30 20.508 4.082 -5.216 248 H SER 31 H SER 31 13.741 -1.854 -4.110 249 HA SER 31 HA SER 31 12.899 -1.449 -2.046 250 HB2 SER 31 HB2 SER 31 13.432 -3.192 -0.314 251 HB3 SER 31 HB3 SER 31 12.912 -3.849 -1.859 252 HG SER 31 HG SER 31 15.620 -3.558 -1.705 253 H ASP 32 H ASP 32 14.645 0.263 -2.758 254 HA ASP 32 HA ASP 32 16.895 0.522 -0.975 255 HB2 ASP 32 HB2 ASP 32 17.237 0.809 -3.378 256 HB3 ASP 32 HB3 ASP 32 15.969 2.017 -3.448 257 H GLN 33 H GLN 33 17.153 3.152 -0.800 258 HA GLN 33 HA GLN 33 15.589 3.960 1.366 259 HB2 GLN 33 HB2 GLN 33 17.278 5.433 -0.618 260 HB3 GLN 33 HB3 GLN 33 16.750 6.128 0.918 261 HG2 GLN 33 HG2 GLN 33 18.170 4.779 2.144 262 HG3 GLN 33 HG3 GLN 33 18.263 3.553 0.878 263 HE21 GLN 33 HE21 GLN 33 19.613 3.886 -0.893 264 HE22 GLN 33 HE22 GLN 33 20.898 5.052 -0.850 265 H HIS 34 H HIS 34 14.063 3.448 -1.254 266 HA HIS 34 HA HIS 34 12.425 5.873 -1.078 267 HB2 HIS 34 HB2 HIS 34 12.736 4.189 -3.575 268 HB3 HIS 34 HB3 HIS 34 11.869 5.711 -3.421 269 HD1 HIS 34 HD1 HIS 34 13.274 7.893 -3.462 270 HD2 HIS 34 HD2 HIS 34 15.518 4.406 -3.838 271 HE1 HIS 34 HE1 HIS 34 15.562 8.629 -4.214 272 HE2 HIS 34 HE2 HIS 34 16.944 6.517 -4.286 273 H ILE 35 H ILE 35 12.720 2.434 -1.041 274 HA ILE 35 HA ILE 35 9.916 1.912 -1.566 275 HB ILE 35 HB ILE 35 12.436 0.447 -1.435 276 HG12 ILE 35 HG12 ILE 35 11.348 -0.847 -3.252 277 HG13 ILE 35 HG13 ILE 35 9.876 0.080 -2.984 278 HG21 ILE 35 HG21 ILE 35 11.401 -0.731 0.395 279 HG22 ILE 35 HG22 ILE 35 9.954 -1.012 -0.573 280 HG23 ILE 35 HG23 ILE 35 11.483 -1.763 -1.033 281 HD11 ILE 35 HD11 ILE 35 11.078 2.131 -3.549 282 HD12 ILE 35 HD12 ILE 35 12.536 1.184 -3.844 283 HD13 ILE 35 HD13 ILE 35 11.115 0.955 -4.863 284 H GLN 36 H GLN 36 11.409 2.835 1.340 285 HA GLN 36 HA GLN 36 10.317 0.572 2.835 286 HB2 GLN 36 HB2 GLN 36 11.686 1.213 4.685 287 HB3 GLN 36 HB3 GLN 36 12.659 1.262 3.226 288 HG2 GLN 36 HG2 GLN 36 11.374 3.757 4.293 289 HG3 GLN 36 HG3 GLN 36 12.912 3.153 4.946 290 HE21 GLN 36 HE21 GLN 36 11.282 4.445 2.172 291 HE22 GLN 36 HE22 GLN 36 12.710 4.899 1.306 292 H LEU 37 H LEU 37 8.205 0.798 3.175 293 HA LEU 37 HA LEU 37 7.416 3.108 4.820 294 HB2 LEU 37 HB2 LEU 37 5.114 2.684 4.168 295 HB3 LEU 37 HB3 LEU 37 6.121 3.018 2.777 296 HG LEU 37 HG LEU 37 6.225 0.378 2.623 297 HD11 LEU 37 HD11 LEU 37 4.965 -0.055 4.662 298 HD12 LEU 37 HD12 LEU 37 3.596 0.854 4.020 299 HD13 LEU 37 HD13 LEU 37 4.098 -0.649 3.245 300 HD21 LEU 37 HD21 LEU 37 3.870 2.041 1.754 301 HD22 LEU 37 HD22 LEU 37 5.396 1.854 0.887 302 HD23 LEU 37 HD23 LEU 37 4.319 0.471 1.088 303 H GLN 38 H GLN 38 6.297 2.682 6.748 304 HA GLN 38 HA GLN 38 6.916 0.010 7.754 305 HB2 GLN 38 HB2 GLN 38 7.605 2.308 8.837 306 HB3 GLN 38 HB3 GLN 38 5.953 2.277 9.461 307 HG2 GLN 38 HG2 GLN 38 6.424 0.046 10.440 308 HG3 GLN 38 HG3 GLN 38 8.101 0.230 9.925 309 HE21 GLN 38 HE21 GLN 38 5.650 1.255 12.131 310 HE22 GLN 38 HE22 GLN 38 6.687 2.126 13.212 311 H LEU 39 H LEU 39 5.290 -1.396 7.504 312 HA LEU 39 HA LEU 39 2.536 -0.391 7.773 313 HB2 LEU 39 HB2 LEU 39 3.188 -1.240 5.528 314 HB3 LEU 39 HB3 LEU 39 3.504 -2.811 6.234 315 HG LEU 39 HG LEU 39 1.300 -2.497 4.987 316 HD11 LEU 39 HD11 LEU 39 1.682 -4.420 6.416 317 HD12 LEU 39 HD12 LEU 39 1.173 -3.492 7.826 318 HD13 LEU 39 HD13 LEU 39 0.015 -3.860 6.547 319 HD21 LEU 39 HD21 LEU 39 -0.542 -1.528 6.272 320 HD22 LEU 39 HD22 LEU 39 0.605 -0.989 7.498 321 HD23 LEU 39 HD23 LEU 39 0.686 -0.331 5.863 322 H SER 40 H SER 40 2.062 -0.723 9.824 323 HA SER 40 HA SER 40 2.412 -3.433 10.892 324 HB2 SER 40 HB2 SER 40 1.994 -2.219 13.134 325 HB3 SER 40 HB3 SER 40 3.560 -1.990 12.361 326 HG SER 40 HG SER 40 1.928 -0.132 13.123 327 H ALA 41 H ALA 41 0.625 -4.058 12.452 328 HA ALA 41 HA ALA 41 -1.963 -3.004 11.518 329 HB1 ALA 41 HB1 ALA 41 -1.747 -5.403 11.015 330 HB2 ALA 41 HB2 ALA 41 -1.357 -5.724 12.702 331 HB3 ALA 41 HB3 ALA 41 -2.962 -5.145 12.272 332 H GLU 42 H GLU 42 -2.592 -1.524 12.936 333 HA GLU 42 HA GLU 42 -1.342 -1.633 15.564 334 HB2 GLU 42 HB2 GLU 42 -2.566 0.638 14.021 335 HB3 GLU 42 HB3 GLU 42 -1.896 0.784 15.647 336 HG2 GLU 42 HG2 GLU 42 -0.353 -0.171 13.226 337 HG3 GLU 42 HG3 GLU 42 -0.312 1.472 13.875 338 H SER 43 H SER 43 -4.552 -1.012 14.132 339 HA SER 43 HA SER 43 -5.647 -1.612 16.797 340 HB2 SER 43 HB2 SER 43 -6.186 0.687 15.903 341 HB3 SER 43 HB3 SER 43 -7.093 -0.104 14.616 342 HG SER 43 HG SER 43 -7.566 -0.583 17.370 343 H VAL 44 H VAL 44 -7.792 -2.778 16.634 344 HA VAL 44 HA VAL 44 -7.283 -5.211 15.395 345 HB VAL 44 HB VAL 44 -8.757 -5.136 17.300 346 HG11 VAL 44 HG11 VAL 44 -10.660 -3.554 15.573 347 HG12 VAL 44 HG12 VAL 44 -11.013 -4.172 17.187 348 HG13 VAL 44 HG13 VAL 44 -9.761 -2.950 16.965 349 HG21 VAL 44 HG21 VAL 44 -10.632 -6.500 16.485 350 HG22 VAL 44 HG22 VAL 44 -10.265 -6.004 14.834 351 HG23 VAL 44 HG23 VAL 44 -9.105 -6.973 15.742 352 H GLY 45 H GLY 45 -7.199 -5.601 13.303 353 HA2 GLY 45 HA3 GLY 45 -8.310 -6.135 11.302 354 HA3 GLY 45 HA2 GLY 45 -9.508 -4.899 11.656 355 H GLU 46 H GLU 46 -7.372 -2.914 12.314 356 HA GLU 46 HA GLU 46 -7.011 -2.190 9.535 357 HB2 GLU 46 HB2 GLU 46 -6.768 0.150 10.459 358 HB3 GLU 46 HB3 GLU 46 -8.359 -0.584 10.515 359 HG2 GLU 46 HG2 GLU 46 -7.871 -1.220 12.878 360 HG3 GLU 46 HG3 GLU 46 -6.412 -0.240 12.772 361 H VAL 47 H VAL 47 -5.234 -1.432 8.654 362 HA VAL 47 HA VAL 47 -2.772 -1.740 10.220 363 HB VAL 47 HB VAL 47 -1.594 -2.063 8.067 364 HG11 VAL 47 HG11 VAL 47 -2.172 -3.958 9.461 365 HG12 VAL 47 HG12 VAL 47 -3.759 -4.062 8.702 366 HG13 VAL 47 HG13 VAL 47 -2.305 -4.391 7.758 367 HG21 VAL 47 HG21 VAL 47 -2.893 -2.687 6.079 368 HG22 VAL 47 HG22 VAL 47 -4.383 -2.277 6.931 369 HG23 VAL 47 HG23 VAL 47 -3.201 -1.020 6.570 370 H TYR 48 H TYR 48 -1.151 -0.216 9.974 371 HA TYR 48 HA TYR 48 -2.177 2.348 8.943 372 HB2 TYR 48 HB2 TYR 48 -1.931 2.027 11.497 373 HB3 TYR 48 HB3 TYR 48 -0.198 2.078 11.204 374 HD1 TYR 48 HD2 TYR 48 -3.316 4.004 11.147 375 HD2 TYR 48 HD1 TYR 48 0.905 4.159 10.650 376 HE1 TYR 48 HE2 TYR 48 -3.400 6.455 11.265 377 HE2 TYR 48 HE1 TYR 48 0.834 6.615 10.769 378 HH TYR 48 HH TYR 48 -1.962 8.318 11.792 379 H ILE 49 H ILE 49 -1.025 3.182 7.375 380 HA ILE 49 HA ILE 49 1.551 1.943 6.747 381 HB ILE 49 HB ILE 49 -0.127 3.682 4.935 382 HG12 ILE 49 HG12 ILE 49 -0.098 0.659 5.149 383 HG13 ILE 49 HG13 ILE 49 -1.415 1.698 5.676 384 HG21 ILE 49 HG21 ILE 49 2.212 3.459 4.299 385 HG22 ILE 49 HG22 ILE 49 2.089 1.703 4.400 386 HG23 ILE 49 HG23 ILE 49 1.185 2.582 3.166 387 HD11 ILE 49 HD11 ILE 49 -1.907 0.662 3.543 388 HD12 ILE 49 HD12 ILE 49 -1.767 2.412 3.371 389 HD13 ILE 49 HD13 ILE 49 -0.447 1.367 2.848 390 H LYS 50 H LYS 50 3.124 3.036 7.692 391 HA LYS 50 HA LYS 50 2.960 5.964 7.663 392 HB2 LYS 50 HB2 LYS 50 4.219 5.953 9.786 393 HB3 LYS 50 HB3 LYS 50 2.661 5.157 9.915 394 HG2 LYS 50 HG2 LYS 50 4.061 2.994 9.485 395 HG3 LYS 50 HG3 LYS 50 5.400 4.003 10.037 396 HD2 LYS 50 HD2 LYS 50 2.847 3.431 11.544 397 HD3 LYS 50 HD3 LYS 50 4.441 2.768 11.902 398 HE2 LYS 50 HE2 LYS 50 3.839 5.719 11.921 399 HE3 LYS 50 HE3 LYS 50 3.689 4.698 13.348 400 HZ1 LYS 50 HZ1 LYS 50 6.006 4.207 13.270 401 HZ2 LYS 50 HZ2 LYS 50 5.832 5.892 13.172 402 HZ3 LYS 50 HZ3 LYS 50 6.195 4.997 11.780 403 H SER 51 H SER 51 4.882 7.125 7.395 404 HA SER 51 HA SER 51 6.745 5.911 5.624 405 HB2 SER 51 HB2 SER 51 7.658 8.246 5.608 406 HB3 SER 51 HB3 SER 51 5.920 8.206 5.309 407 HG SER 51 HG SER 51 7.321 9.155 7.522 408 H THR 52 H THR 52 8.590 4.950 6.201 409 HA THR 52 HA THR 52 9.715 5.397 8.800 410 HB THR 52 HB THR 52 11.155 4.236 6.403 411 HG1 THR 52 HG1 THR 52 9.692 2.658 8.241 412 HG21 THR 52 HG21 THR 52 12.323 2.930 8.110 413 HG22 THR 52 HG22 THR 52 11.362 3.711 9.366 414 HG23 THR 52 HG23 THR 52 12.495 4.659 8.404 415 H GLU 53 H GLU 53 11.939 5.648 6.174 416 HA GLU 53 HA GLU 53 12.343 8.474 6.840 417 HB2 GLU 53 HB2 GLU 53 14.308 6.978 6.595 418 HB3 GLU 53 HB3 GLU 53 13.855 6.679 4.924 419 HG2 GLU 53 HG2 GLU 53 15.603 8.252 4.876 420 HG3 GLU 53 HG3 GLU 53 14.125 9.142 4.520 421 H THR 54 H THR 54 11.725 6.442 4.046 422 HA THR 54 HA THR 54 10.673 8.714 2.509 423 HB THR 54 HB THR 54 11.502 6.295 1.067 424 HG1 THR 54 HG1 THR 54 13.777 7.287 1.342 425 HG21 THR 54 HG21 THR 54 10.852 8.363 -0.076 426 HG22 THR 54 HG22 THR 54 12.541 7.963 -0.398 427 HG23 THR 54 HG23 THR 54 12.137 9.234 0.759 428 H GLY 55 H GLY 55 8.883 6.988 4.322 429 HA2 GLY 55 HA3 GLY 55 8.205 4.852 2.453 430 HA3 GLY 55 HA2 GLY 55 7.819 4.870 4.152 431 H GLN 56 H GLN 56 6.360 7.524 3.936 432 HA GLN 56 HA GLN 56 5.084 8.184 1.709 433 HB2 GLN 56 HB2 GLN 56 3.814 5.699 2.599 434 HB3 GLN 56 HB3 GLN 56 2.701 7.003 2.205 435 HG2 GLN 56 HG2 GLN 56 4.161 7.220 0.062 436 HG3 GLN 56 HG3 GLN 56 4.631 5.566 0.454 437 HE21 GLN 56 HE21 GLN 56 2.029 7.678 -0.374 438 HE22 GLN 56 HE22 GLN 56 0.927 6.449 -0.898 439 H TYR 57 H TYR 57 3.670 9.806 1.825 440 HA TYR 57 HA TYR 57 2.235 10.270 4.348 441 HB2 TYR 57 HB2 TYR 57 3.176 12.349 3.553 442 HB3 TYR 57 HB3 TYR 57 2.628 12.068 1.926 443 HD1 TYR 57 HD1 TYR 57 0.153 11.376 4.502 444 HD2 TYR 57 HD2 TYR 57 1.805 14.433 2.045 445 HE1 TYR 57 HE1 TYR 57 -1.816 12.778 4.934 446 HE2 TYR 57 HE2 TYR 57 -0.165 15.838 2.474 447 HH TYR 57 HH TYR 57 -2.504 15.059 4.884 448 H LEU 58 H LEU 58 1.206 8.187 3.798 449 HA LEU 58 HA LEU 58 -0.138 8.074 1.298 450 HB2 LEU 58 HB2 LEU 58 0.714 6.163 3.030 451 HB3 LEU 58 HB3 LEU 58 -1.016 6.160 3.343 452 HG LEU 58 HG LEU 58 0.210 5.900 0.612 453 HD11 LEU 58 HD11 LEU 58 -0.892 3.755 2.422 454 HD12 LEU 58 HD12 LEU 58 -0.393 3.527 0.746 455 HD13 LEU 58 HD13 LEU 58 0.798 3.971 1.967 456 HD21 LEU 58 HD21 LEU 58 -2.023 5.148 -0.060 457 HD22 LEU 58 HD22 LEU 58 -2.613 5.446 1.576 458 HD23 LEU 58 HD23 LEU 58 -2.053 6.790 0.582 459 H ALA 59 H ALA 59 -1.967 8.669 0.785 460 HA ALA 59 HA ALA 59 -3.905 9.569 2.745 461 HB1 ALA 59 HB1 ALA 59 -4.000 11.781 1.637 462 HB2 ALA 59 HB2 ALA 59 -2.426 11.472 2.376 463 HB3 ALA 59 HB3 ALA 59 -2.625 11.314 0.631 464 H MET 60 H MET 60 -5.795 8.705 2.091 465 HA MET 60 HA MET 60 -6.242 8.149 -0.706 466 HB2 MET 60 HB2 MET 60 -7.908 6.839 0.066 467 HB3 MET 60 HB3 MET 60 -7.315 7.224 1.678 468 HG2 MET 60 HG2 MET 60 -9.409 8.842 0.246 469 HG3 MET 60 HG3 MET 60 -9.778 7.505 1.334 470 HE1 MET 60 HE1 MET 60 -10.743 10.788 3.327 471 HE2 MET 60 HE2 MET 60 -10.825 10.582 1.578 472 HE3 MET 60 HE3 MET 60 -11.352 9.280 2.642 473 H ASP 61 H ASP 61 -7.439 9.366 -2.164 474 HA ASP 61 HA ASP 61 -8.690 11.813 -1.077 475 HB2 ASP 61 HB2 ASP 61 -6.887 12.047 -2.894 476 HB3 ASP 61 HB3 ASP 61 -8.086 11.336 -3.969 477 H THR 62 H THR 62 -10.708 11.352 -0.686 478 HA THR 62 HA THR 62 -12.790 10.639 -0.730 479 HB THR 62 HB THR 62 -14.019 10.772 -2.740 480 HG1 THR 62 HG1 THR 62 -12.406 11.401 -4.661 481 HG21 THR 62 HG21 THR 62 -13.354 12.875 -1.760 482 HG22 THR 62 HG22 THR 62 -13.420 13.020 -3.517 483 HG23 THR 62 HG23 THR 62 -11.864 12.858 -2.702 484 H ASP 63 H ASP 63 -10.351 8.815 -1.556 485 HA ASP 63 HA ASP 63 -9.960 6.659 -0.977 486 HB2 ASP 63 HB2 ASP 63 -12.318 6.902 0.172 487 HB3 ASP 63 HB3 ASP 63 -12.856 5.935 -1.195 488 H GLY 64 H GLY 64 -10.420 8.025 -3.502 489 HA2 GLY 64 HA3 GLY 64 -11.199 5.832 -5.311 490 HA3 GLY 64 HA2 GLY 64 -11.344 7.539 -5.688 491 H LEU 65 H LEU 65 -8.528 7.731 -4.389 492 HA LEU 65 HA LEU 65 -6.838 6.161 -6.060 493 HB2 LEU 65 HB2 LEU 65 -7.441 7.772 -7.726 494 HB3 LEU 65 HB3 LEU 65 -7.106 9.112 -6.639 495 HG LEU 65 HG LEU 65 -4.872 7.257 -7.347 496 HD11 LEU 65 HD11 LEU 65 -4.433 8.504 -9.398 497 HD12 LEU 65 HD12 LEU 65 -5.984 7.664 -9.482 498 HD13 LEU 65 HD13 LEU 65 -5.935 9.403 -9.181 499 HD21 LEU 65 HD21 LEU 65 -5.056 10.246 -6.959 500 HD22 LEU 65 HD22 LEU 65 -4.497 9.080 -5.761 501 HD23 LEU 65 HD23 LEU 65 -3.575 9.330 -7.244 502 H LEU 66 H LEU 66 -5.082 5.745 -4.896 503 HA LEU 66 HA LEU 66 -4.766 7.338 -2.488 504 HB2 LEU 66 HB2 LEU 66 -3.459 4.728 -3.159 505 HB3 LEU 66 HB3 LEU 66 -3.681 5.446 -1.576 506 HG LEU 66 HG LEU 66 -5.289 3.903 -1.515 507 HD11 LEU 66 HD11 LEU 66 -6.979 5.813 -3.026 508 HD12 LEU 66 HD12 LEU 66 -7.425 4.796 -1.655 509 HD13 LEU 66 HD13 LEU 66 -6.359 6.184 -1.411 510 HD21 LEU 66 HD21 LEU 66 -6.627 3.044 -3.384 511 HD22 LEU 66 HD22 LEU 66 -5.808 4.177 -4.453 512 HD23 LEU 66 HD23 LEU 66 -4.895 2.888 -3.670 513 H TYR 67 H TYR 67 -3.320 8.843 -2.448 514 HA TYR 67 HA TYR 67 -0.725 8.304 -3.740 515 HB2 TYR 67 HB2 TYR 67 -0.549 10.621 -4.473 516 HB3 TYR 67 HB3 TYR 67 -1.997 9.885 -5.146 517 HD1 TYR 67 HD1 TYR 67 -4.236 10.408 -4.013 518 HD2 TYR 67 HD2 TYR 67 -0.675 12.605 -3.241 519 HE1 TYR 67 HE1 TYR 67 -5.581 12.274 -3.144 520 HE2 TYR 67 HE2 TYR 67 -2.011 14.472 -2.367 521 HH TYR 67 HH TYR 67 -5.231 14.218 -1.540 522 H GLY 68 H GLY 68 1.094 9.089 -2.618 523 HA2 GLY 68 HA3 GLY 68 0.784 10.754 -0.316 524 HA3 GLY 68 HA2 GLY 68 1.007 9.069 0.123 525 H SER 69 H SER 69 2.802 11.383 0.621 526 HA SER 69 HA SER 69 5.069 9.798 -0.278 527 HB2 SER 69 HB2 SER 69 4.932 11.490 -1.953 528 HB3 SER 69 HB3 SER 69 4.906 12.751 -0.717 529 HG SER 69 HG SER 69 7.042 11.033 -1.420 530 H GLN 70 H GLN 70 4.559 12.729 1.789 531 HA GLN 70 HA GLN 70 7.217 12.172 2.838 532 HB2 GLN 70 HB2 GLN 70 5.387 14.497 3.375 533 HB3 GLN 70 HB3 GLN 70 7.058 14.370 3.906 534 HG2 GLN 70 HG2 GLN 70 7.786 14.273 1.571 535 HG3 GLN 70 HG3 GLN 70 6.110 14.427 1.049 536 HE21 GLN 70 HE21 GLN 70 6.486 16.330 -0.047 537 HE22 GLN 70 HE22 GLN 70 6.787 17.831 0.763 538 H THR 71 H THR 71 3.991 12.406 4.246 539 HA THR 71 HA THR 71 5.060 11.479 6.840 540 HB THR 71 HB THR 71 3.321 13.942 6.527 541 HG1 THR 71 HG1 THR 71 5.235 14.833 6.241 542 HG21 THR 71 HG21 THR 71 4.511 12.686 9.004 543 HG22 THR 71 HG22 THR 71 2.799 12.720 8.577 544 HG23 THR 71 HG23 THR 71 3.647 14.222 8.947 545 HA PRO 72 HA PRO 72 1.142 9.443 6.371 546 HB2 PRO 72 HB2 PRO 72 1.531 7.448 8.077 547 HB3 PRO 72 HB3 PRO 72 2.620 7.683 6.703 548 HG2 PRO 72 HG2 PRO 72 3.100 8.182 9.583 549 HG3 PRO 72 HG3 PRO 72 4.265 7.845 8.293 550 HD2 PRO 72 HD2 PRO 72 3.459 10.411 9.378 551 HD3 PRO 72 HD3 PRO 72 4.718 10.066 8.172 552 H ASN 73 H ASN 73 -0.590 10.605 7.047 553 HA ASN 73 HA ASN 73 -1.244 10.786 9.908 554 HB2 ASN 73 HB2 ASN 73 -1.413 12.820 8.314 555 HB3 ASN 73 HB3 ASN 73 -2.804 12.000 7.613 556 HD21 ASN 73 HD21 ASN 73 -1.995 11.821 11.015 557 HD22 ASN 73 HD22 ASN 73 -3.344 12.759 11.576 558 H GLU 74 H GLU 74 -3.983 10.279 10.062 559 HA GLU 74 HA GLU 74 -3.968 7.902 8.348 560 HB2 GLU 74 HB2 GLU 74 -5.950 7.177 9.712 561 HB3 GLU 74 HB3 GLU 74 -4.447 7.317 10.612 562 HG2 GLU 74 HG2 GLU 74 -5.174 9.492 11.473 563 HG3 GLU 74 HG3 GLU 74 -6.688 9.329 10.583 564 H GLU 75 H GLU 75 -4.291 8.918 6.626 565 HA GLU 75 HA GLU 75 -7.111 8.824 5.888 566 HB2 GLU 75 HB2 GLU 75 -4.758 9.829 4.280 567 HB3 GLU 75 HB3 GLU 75 -6.462 9.970 3.842 568 HG2 GLU 75 HG2 GLU 75 -4.979 11.460 5.997 569 HG3 GLU 75 HG3 GLU 75 -5.655 12.117 4.511 570 H CYS 76 H CYS 76 -3.889 7.704 6.020 571 HA CYS 76 HA CYS 76 -3.866 5.973 3.779 572 HB2 CYS 76 HB2 CYS 76 -1.752 5.202 4.738 573 HB3 CYS 76 HB3 CYS 76 -1.854 6.961 4.813 574 HG CYS 76 HG CYS 76 -1.723 7.228 7.390 575 H LEU 77 H LEU 77 -5.565 5.583 6.678 576 HA LEU 77 HA LEU 77 -4.614 2.914 7.180 577 HB2 LEU 77 HB2 LEU 77 -5.887 2.867 9.173 578 HB3 LEU 77 HB3 LEU 77 -5.096 4.421 9.081 579 HG LEU 77 HG LEU 77 -7.394 5.277 8.201 580 HD11 LEU 77 HD11 LEU 77 -8.444 3.090 7.904 581 HD12 LEU 77 HD12 LEU 77 -8.233 2.749 9.622 582 HD13 LEU 77 HD13 LEU 77 -9.306 4.050 9.105 583 HD21 LEU 77 HD21 LEU 77 -7.002 4.414 11.060 584 HD22 LEU 77 HD22 LEU 77 -6.373 5.890 10.327 585 HD23 LEU 77 HD23 LEU 77 -8.113 5.664 10.498 586 H PHE 78 H PHE 78 -5.415 1.156 6.505 587 HA PHE 78 HA PHE 78 -8.184 1.107 5.619 588 HB2 PHE 78 HB2 PHE 78 -6.014 -0.290 4.045 589 HB3 PHE 78 HB3 PHE 78 -7.688 -0.055 3.597 590 HD1 PHE 78 HD2 PHE 78 -8.415 2.509 3.489 591 HD2 PHE 78 HD1 PHE 78 -4.451 1.039 3.011 592 HE1 PHE 78 HE2 PHE 78 -7.822 4.533 2.224 593 HE2 PHE 78 HE1 PHE 78 -3.850 3.060 1.742 594 HZ PHE 78 HZ PHE 78 -5.538 4.809 1.347 595 H LEU 79 H LEU 79 -8.920 -1.270 5.413 596 HA LEU 79 HA LEU 79 -7.917 -2.626 7.801 597 HB2 LEU 79 HB2 LEU 79 -10.354 -2.211 7.540 598 HB3 LEU 79 HB3 LEU 79 -10.351 -3.224 6.113 599 HG LEU 79 HG LEU 79 -9.407 -4.415 8.684 600 HD11 LEU 79 HD11 LEU 79 -11.709 -4.986 9.287 601 HD12 LEU 79 HD12 LEU 79 -11.451 -3.241 9.316 602 HD13 LEU 79 HD13 LEU 79 -12.306 -3.983 7.964 603 HD21 LEU 79 HD21 LEU 79 -11.018 -5.465 6.356 604 HD22 LEU 79 HD22 LEU 79 -9.292 -5.713 6.616 605 HD23 LEU 79 HD23 LEU 79 -10.463 -6.410 7.736 606 H GLU 80 H GLU 80 -6.902 -4.579 7.752 607 HA GLU 80 HA GLU 80 -6.026 -5.375 5.080 608 HB2 GLU 80 HB2 GLU 80 -4.274 -4.816 6.727 609 HB3 GLU 80 HB3 GLU 80 -4.860 -6.101 7.779 610 HG2 GLU 80 HG2 GLU 80 -4.175 -7.782 6.266 611 HG3 GLU 80 HG3 GLU 80 -3.911 -6.614 4.974 612 H ARG 81 H ARG 81 -6.466 -7.260 4.227 613 HA ARG 81 HA ARG 81 -7.877 -9.263 5.841 614 HB2 ARG 81 HB2 ARG 81 -9.532 -8.164 4.459 615 HB3 ARG 81 HB3 ARG 81 -8.512 -8.323 3.035 616 HG2 ARG 81 HG2 ARG 81 -8.724 -10.783 3.216 617 HG3 ARG 81 HG3 ARG 81 -9.851 -10.550 4.552 618 HD2 ARG 81 HD2 ARG 81 -11.417 -9.439 3.127 619 HD3 ARG 81 HD3 ARG 81 -10.254 -9.393 1.800 620 HE ARG 81 HE ARG 81 -10.601 -12.062 2.513 621 HH11 ARG 81 HH12 ARG 81 -12.575 -9.472 1.214 622 HH12 ARG 81 HH11 ARG 81 -13.563 -10.534 0.267 623 HH21 ARG 81 HH22 ARG 81 -11.900 -13.459 1.296 624 HH22 ARG 81 HH21 ARG 81 -13.191 -12.816 0.321 625 H LEU 82 H LEU 82 -7.035 -11.240 5.699 626 HA LEU 82 HA LEU 82 -4.907 -11.652 3.732 627 HB2 LEU 82 HB2 LEU 82 -5.555 -13.014 6.335 628 HB3 LEU 82 HB3 LEU 82 -4.396 -13.675 5.197 629 HG LEU 82 HG LEU 82 -4.183 -10.961 6.504 630 HD11 LEU 82 HD11 LEU 82 -2.340 -11.951 7.772 631 HD12 LEU 82 HD12 LEU 82 -3.872 -12.756 8.116 632 HD13 LEU 82 HD13 LEU 82 -2.692 -13.523 7.053 633 HD21 LEU 82 HD21 LEU 82 -1.926 -10.949 5.568 634 HD22 LEU 82 HD22 LEU 82 -2.250 -12.484 4.762 635 HD23 LEU 82 HD23 LEU 82 -3.149 -11.036 4.301 636 H GLU 83 H GLU 83 -5.428 -12.656 1.955 637 HA GLU 83 HA GLU 83 -7.712 -14.450 1.856 638 HB2 GLU 83 HB2 GLU 83 -7.332 -12.870 0.010 639 HB3 GLU 83 HB3 GLU 83 -5.751 -13.578 -0.284 640 HG2 GLU 83 HG2 GLU 83 -7.360 -14.347 -1.918 641 HG3 GLU 83 HG3 GLU 83 -6.800 -15.683 -0.916 642 H GLU 84 H GLU 84 -7.457 -16.656 0.994 643 HA GLU 84 HA GLU 84 -5.173 -17.843 2.371 644 HB2 GLU 84 HB2 GLU 84 -7.581 -19.253 1.219 645 HB3 GLU 84 HB3 GLU 84 -6.422 -19.896 2.376 646 HG2 GLU 84 HG2 GLU 84 -7.180 -17.956 3.884 647 HG3 GLU 84 HG3 GLU 84 -8.561 -17.853 2.795 648 H ASN 85 H ASN 85 -5.751 -16.818 -0.645 649 HA ASN 85 HA ASN 85 -4.284 -18.954 -1.965 650 HB2 ASN 85 HB2 ASN 85 -5.326 -16.316 -3.024 651 HB3 ASN 85 HB3 ASN 85 -4.470 -17.507 -3.998 652 HD21 ASN 85 HD21 ASN 85 -5.472 -19.477 -4.460 653 HD22 ASN 85 HD22 ASN 85 -7.190 -19.668 -4.344 654 H HIS 86 H HIS 86 -3.257 -17.494 0.204 655 HA HIS 86 HA HIS 86 -1.454 -16.396 0.995 656 HB2 HIS 86 HB2 HIS 86 -0.366 -18.024 -1.266 657 HB3 HIS 86 HB3 HIS 86 0.703 -17.020 -0.287 658 HD1 HIS 86 HD1 HIS 86 1.053 -17.700 2.175 659 HD2 HIS 86 HD2 HIS 86 -1.416 -20.275 0.042 660 HE1 HIS 86 HE1 HIS 86 0.789 -19.739 3.626 661 HE2 HIS 86 HE2 HIS 86 -0.598 -21.343 2.257 662 H TYR 87 H TYR 87 -2.825 -14.493 -0.039 663 HA TYR 87 HA TYR 87 -0.698 -12.697 -0.750 664 HB2 TYR 87 HB2 TYR 87 -1.622 -11.740 -2.700 665 HB3 TYR 87 HB3 TYR 87 -1.673 -13.474 -2.962 666 HD1 TYR 87 HD1 TYR 87 -3.684 -10.457 -2.389 667 HD2 TYR 87 HD2 TYR 87 -3.782 -14.646 -3.132 668 HE1 TYR 87 HE1 TYR 87 -6.090 -10.313 -2.871 669 HE2 TYR 87 HE2 TYR 87 -6.185 -14.509 -3.627 670 HH TYR 87 HH TYR 87 -7.793 -11.655 -4.212 671 H ASN 88 H ASN 88 -1.382 -10.435 -0.531 672 HA ASN 88 HA ASN 88 -3.121 -10.286 1.825 673 HB2 ASN 88 HB2 ASN 88 -0.652 -9.349 1.573 674 HB3 ASN 88 HB3 ASN 88 -1.493 -7.989 0.837 675 HD21 ASN 88 HD21 ASN 88 -2.961 -6.785 2.096 676 HD22 ASN 88 HD22 ASN 88 -2.866 -6.799 3.823 677 H THR 89 H THR 89 -4.794 -8.893 1.968 678 HA THR 89 HA THR 89 -5.615 -7.497 -0.487 679 HB THR 89 HB THR 89 -7.601 -8.717 1.430 680 HG1 THR 89 HG1 THR 89 -6.019 -9.985 -0.513 681 HG21 THR 89 HG21 THR 89 -9.021 -8.711 -0.597 682 HG22 THR 89 HG22 THR 89 -7.683 -8.009 -1.513 683 HG23 THR 89 HG23 THR 89 -8.431 -7.095 -0.203 684 H TYR 90 H TYR 90 -7.109 -5.635 0.000 685 HA TYR 90 HA TYR 90 -7.026 -4.743 2.790 686 HB2 TYR 90 HB2 TYR 90 -5.947 -3.189 0.445 687 HB3 TYR 90 HB3 TYR 90 -6.450 -2.402 1.935 688 HD1 TYR 90 HD1 TYR 90 -5.324 -3.268 4.123 689 HD2 TYR 90 HD2 TYR 90 -3.787 -3.951 0.217 690 HE1 TYR 90 HE1 TYR 90 -3.096 -3.683 5.078 691 HE2 TYR 90 HE2 TYR 90 -1.561 -4.368 1.161 692 HH TYR 90 HH TYR 90 -0.285 -3.825 3.123 693 H ILE 91 H ILE 91 -8.673 -3.323 3.399 694 HA ILE 91 HA ILE 91 -10.677 -2.749 1.325 695 HB ILE 91 HB ILE 91 -11.087 -4.238 3.657 696 HG12 ILE 91 HG12 ILE 91 -13.118 -2.734 1.999 697 HG13 ILE 91 HG13 ILE 91 -12.400 -4.282 1.566 698 HG21 ILE 91 HG21 ILE 91 -12.655 -2.906 4.988 699 HG22 ILE 91 HG22 ILE 91 -11.024 -2.232 5.032 700 HG23 ILE 91 HG23 ILE 91 -12.259 -1.483 4.021 701 HD11 ILE 91 HD11 ILE 91 -14.133 -3.744 3.965 702 HD12 ILE 91 HD12 ILE 91 -14.623 -4.572 2.487 703 HD13 ILE 91 HD13 ILE 91 -13.411 -5.297 3.544 704 H SER 92 H SER 92 -11.457 -0.660 1.315 705 HA SER 92 HA SER 92 -9.506 1.174 2.393 706 HB2 SER 92 HB2 SER 92 -10.668 2.803 0.847 707 HB3 SER 92 HB3 SER 92 -9.924 1.418 0.049 708 HG SER 92 HG SER 92 -12.481 2.209 0.055 709 H LYS 93 H LYS 93 -9.900 1.751 4.365 710 HA LYS 93 HA LYS 93 -12.491 1.328 5.478 711 HB2 LYS 93 HB2 LYS 93 -9.754 1.896 6.427 712 HB3 LYS 93 HB3 LYS 93 -11.062 2.399 7.505 713 HG2 LYS 93 HG2 LYS 93 -11.127 -0.327 6.349 714 HG3 LYS 93 HG3 LYS 93 -9.955 0.010 7.621 715 HD2 LYS 93 HD2 LYS 93 -12.904 0.586 7.867 716 HD3 LYS 93 HD3 LYS 93 -12.153 -0.917 8.412 717 HE2 LYS 93 HE2 LYS 93 -10.658 0.418 9.872 718 HE3 LYS 93 HE3 LYS 93 -11.533 1.869 9.388 719 HZ1 LYS 93 HZ1 LYS 93 -12.756 -0.472 10.746 720 HZ2 LYS 93 HZ2 LYS 93 -13.533 0.984 10.360 721 HZ3 LYS 93 HZ3 LYS 93 -12.297 0.965 11.516 722 H LYS 94 H LYS 94 -11.049 3.882 3.927 723 HA LYS 94 HA LYS 94 -12.322 6.047 5.241 724 HB2 LYS 94 HB2 LYS 94 -11.898 6.079 2.257 725 HB3 LYS 94 HB3 LYS 94 -11.743 7.382 3.418 726 HG2 LYS 94 HG2 LYS 94 -9.836 5.095 3.041 727 HG3 LYS 94 HG3 LYS 94 -9.592 6.778 2.530 728 HD2 LYS 94 HD2 LYS 94 -9.803 5.689 5.362 729 HD3 LYS 94 HD3 LYS 94 -8.382 6.399 4.597 730 HE2 LYS 94 HE2 LYS 94 -9.373 8.563 4.586 731 HE3 LYS 94 HE3 LYS 94 -10.945 7.916 5.049 732 HZ1 LYS 94 HZ1 LYS 94 -8.508 7.920 6.747 733 HZ2 LYS 94 HZ2 LYS 94 -10.017 7.296 7.195 734 HZ3 LYS 94 HZ3 LYS 94 -9.833 8.961 6.916 735 H HIS 95 H HIS 95 -13.140 4.649 2.077 736 HA HIS 95 HA HIS 95 -15.941 5.026 2.743 737 HB2 HIS 95 HB2 HIS 95 -14.546 4.433 0.152 738 HB3 HIS 95 HB3 HIS 95 -16.293 4.279 0.314 739 HD1 HIS 95 HD1 HIS 95 -14.044 7.044 1.648 740 HD2 HIS 95 HD2 HIS 95 -17.209 6.467 -0.981 741 HE1 HIS 95 HE1 HIS 95 -14.712 9.335 0.890 742 HE2 HIS 95 HE2 HIS 95 -16.653 8.973 -0.686 743 H ALA 96 H ALA 96 -14.590 3.031 4.184 744 HA ALA 96 HA ALA 96 -15.014 0.433 3.209 745 HB1 ALA 96 HB1 ALA 96 -15.035 -0.289 5.542 746 HB2 ALA 96 HB2 ALA 96 -13.760 0.897 5.262 747 HB3 ALA 96 HB3 ALA 96 -15.254 1.382 6.067 748 H GLU 97 H GLU 97 -17.137 2.737 4.656 749 HA GLU 97 HA GLU 97 -19.411 1.245 5.183 750 HB2 GLU 97 HB2 GLU 97 -19.041 3.566 5.868 751 HB3 GLU 97 HB3 GLU 97 -19.152 4.087 4.195 752 HG2 GLU 97 HG2 GLU 97 -21.504 3.084 4.245 753 HG3 GLU 97 HG3 GLU 97 -21.315 3.086 5.999 754 H LYS 98 H LYS 98 -18.203 2.525 2.133 755 HA LYS 98 HA LYS 98 -20.682 1.860 0.755 756 HB2 LYS 98 HB2 LYS 98 -18.183 3.319 0.017 757 HB3 LYS 98 HB3 LYS 98 -19.190 2.657 -1.261 758 HG2 LYS 98 HG2 LYS 98 -19.833 4.899 -1.004 759 HG3 LYS 98 HG3 LYS 98 -21.109 3.934 -0.268 760 HD2 LYS 98 HD2 LYS 98 -20.158 4.391 1.951 761 HD3 LYS 98 HD3 LYS 98 -18.896 5.372 1.199 762 HE2 LYS 98 HE2 LYS 98 -20.618 6.849 0.266 763 HE3 LYS 98 HE3 LYS 98 -21.859 5.876 1.047 764 HZ1 LYS 98 HZ1 LYS 98 -21.285 7.924 2.258 765 HZ2 LYS 98 HZ2 LYS 98 -19.719 7.330 2.507 766 HZ3 LYS 98 HZ3 LYS 98 -21.056 6.523 3.184 767 H ASN 99 H ASN 99 -17.976 0.192 1.665 768 HA ASN 99 HA ASN 99 -17.419 -1.977 1.271 769 HB2 ASN 99 HB2 ASN 99 -19.647 -1.779 -0.716 770 HB3 ASN 99 HB3 ASN 99 -18.546 -3.150 -0.783 771 HD21 ASN 99 HD21 ASN 99 -21.071 -1.588 0.993 772 HD22 ASN 99 HD22 ASN 99 -21.356 -2.877 2.109 773 H TRP 100 H TRP 100 -16.135 0.385 0.033 774 HA TRP 100 HA TRP 100 -15.183 -0.464 -2.524 775 HB2 TRP 100 HB2 TRP 100 -14.241 1.636 -0.581 776 HB3 TRP 100 HB3 TRP 100 -13.481 1.357 -2.138 777 HD1 TRP 100 HD1 TRP 100 -17.259 1.173 -2.329 778 HE1 TRP 100 HE1 TRP 100 -18.140 3.367 -3.392 779 HE3 TRP 100 HE3 TRP 100 -12.983 3.854 -2.187 780 HZ2 TRP 100 HZ2 TRP 100 -17.081 5.938 -4.081 781 HZ3 TRP 100 HZ3 TRP 100 -12.957 6.145 -3.047 782 HH2 TRP 100 HH2 TRP 100 -14.925 7.184 -3.957 783 H PHE 101 H PHE 101 -12.794 -0.751 -2.902 784 HA PHE 101 HA PHE 101 -11.641 -2.468 -0.787 785 HB2 PHE 101 HB2 PHE 101 -11.692 -2.942 -3.775 786 HB3 PHE 101 HB3 PHE 101 -10.660 -3.836 -2.671 787 HD1 PHE 101 HD1 PHE 101 -14.246 -3.028 -3.288 788 HD2 PHE 101 HD2 PHE 101 -11.415 -5.810 -1.756 789 HE1 PHE 101 HE1 PHE 101 -16.042 -4.676 -2.975 790 HE2 PHE 101 HE2 PHE 101 -13.209 -7.463 -1.435 791 HZ PHE 101 HZ PHE 101 -15.525 -6.898 -2.056 792 H VAL 102 H VAL 102 -9.361 -2.309 -0.530 793 HA VAL 102 HA VAL 102 -8.226 0.058 -1.791 794 HB VAL 102 HB VAL 102 -7.099 -1.789 0.315 795 HG11 VAL 102 HG11 VAL 102 -5.172 -0.280 0.439 796 HG12 VAL 102 HG12 VAL 102 -5.276 -1.046 -1.147 797 HG13 VAL 102 HG13 VAL 102 -5.789 0.628 -0.941 798 HG21 VAL 102 HG21 VAL 102 -7.191 0.207 1.703 799 HG22 VAL 102 HG22 VAL 102 -7.889 1.106 0.355 800 HG23 VAL 102 HG23 VAL 102 -8.782 -0.230 1.076 801 H GLY 103 H GLY 103 -7.166 -0.025 -3.565 802 HA2 GLY 103 HA3 GLY 103 -5.539 -2.397 -4.088 803 HA3 GLY 103 HA2 GLY 103 -6.564 -1.753 -5.354 804 H LEU 104 H LEU 104 -3.783 -2.077 -5.273 805 HA LEU 104 HA LEU 104 -3.040 0.703 -5.807 806 HB2 LEU 104 HB2 LEU 104 -1.501 0.483 -4.184 807 HB3 LEU 104 HB3 LEU 104 -1.841 -1.229 -4.007 808 HG LEU 104 HG LEU 104 -0.434 -1.275 -6.288 809 HD11 LEU 104 HD11 LEU 104 1.492 0.213 -6.064 810 HD12 LEU 104 HD12 LEU 104 -0.009 1.114 -6.288 811 HD13 LEU 104 HD13 LEU 104 0.721 1.001 -4.686 812 HD21 LEU 104 HD21 LEU 104 0.672 -1.307 -3.494 813 HD22 LEU 104 HD22 LEU 104 -0.072 -2.661 -4.342 814 HD23 LEU 104 HD23 LEU 104 1.455 -1.991 -4.919 815 H LYS 105 H LYS 105 -2.562 0.897 -8.031 816 HA LYS 105 HA LYS 105 -1.498 -1.645 -9.127 817 HB2 LYS 105 HB2 LYS 105 -3.015 -0.356 -10.579 818 HB3 LYS 105 HB3 LYS 105 -1.916 1.015 -10.511 819 HG2 LYS 105 HG2 LYS 105 -1.714 -0.225 -12.608 820 HG3 LYS 105 HG3 LYS 105 -0.214 -0.250 -11.680 821 HD2 LYS 105 HD2 LYS 105 -0.564 -2.444 -12.543 822 HD3 LYS 105 HD3 LYS 105 -0.888 -2.498 -10.810 823 HE2 LYS 105 HE2 LYS 105 -2.584 -3.758 -11.917 824 HE3 LYS 105 HE3 LYS 105 -3.314 -2.266 -11.329 825 HZ1 LYS 105 HZ1 LYS 105 -2.378 -2.696 -14.117 826 HZ2 LYS 105 HZ2 LYS 105 -3.225 -1.344 -13.530 827 HZ3 LYS 105 HZ3 LYS 105 -3.984 -2.856 -13.606 828 H LYS 106 H LYS 106 0.442 -2.004 -8.245 829 HA LYS 106 HA LYS 106 2.281 0.170 -7.861 830 HB2 LYS 106 HB2 LYS 106 3.597 -1.232 -6.658 831 HB3 LYS 106 HB3 LYS 106 2.171 -2.271 -6.657 832 HG2 LYS 106 HG2 LYS 106 3.025 -3.554 -8.493 833 HG3 LYS 106 HG3 LYS 106 4.368 -2.436 -8.715 834 HD2 LYS 106 HD2 LYS 106 5.359 -3.106 -6.651 835 HD3 LYS 106 HD3 LYS 106 3.929 -4.039 -6.204 836 HE2 LYS 106 HE2 LYS 106 5.279 -4.729 -8.759 837 HE3 LYS 106 HE3 LYS 106 6.103 -5.164 -7.264 838 HZ1 LYS 106 HZ1 LYS 106 4.718 -6.959 -8.080 839 HZ2 LYS 106 HZ2 LYS 106 3.352 -5.963 -8.022 840 HZ3 LYS 106 HZ3 LYS 106 4.142 -6.396 -6.594 841 H ASN 107 H ASN 107 1.555 -2.164 -10.288 842 HA ASN 107 HA ASN 107 4.024 -1.875 -11.659 843 HB2 ASN 107 HB2 ASN 107 2.274 -3.725 -11.934 844 HB3 ASN 107 HB3 ASN 107 1.357 -2.570 -12.903 845 HD21 ASN 107 HD21 ASN 107 2.084 -2.003 -14.938 846 HD22 ASN 107 HD22 ASN 107 3.337 -2.877 -15.751 847 H GLY 108 H GLY 108 1.434 0.175 -11.093 848 HA2 GLY 108 HA3 GLY 108 2.443 2.033 -13.169 849 HA3 GLY 108 HA2 GLY 108 0.740 1.979 -12.723 850 H SER 109 H SER 109 0.145 2.445 -10.736 851 HA SER 109 HA SER 109 1.635 3.700 -8.699 852 HB2 SER 109 HB2 SER 109 0.591 5.967 -8.909 853 HB3 SER 109 HB3 SER 109 1.697 5.617 -10.234 854 HG SER 109 HG SER 109 -0.582 6.518 -10.616 855 H CYS 110 H CYS 110 -0.114 4.492 -6.976 856 HA CYS 110 HA CYS 110 -2.018 2.269 -7.045 857 HB2 CYS 110 HB2 CYS 110 -0.540 2.559 -5.117 858 HB3 CYS 110 HB3 CYS 110 -1.169 4.183 -4.857 859 HG CYS 110 HG CYS 110 -2.406 2.967 -2.864 860 H LYS 111 H LYS 111 -4.037 2.710 -7.865 861 HA LYS 111 HA LYS 111 -5.302 5.208 -7.103 862 HB2 LYS 111 HB2 LYS 111 -6.302 5.429 -9.355 863 HB3 LYS 111 HB3 LYS 111 -4.559 5.642 -9.378 864 HG2 LYS 111 HG2 LYS 111 -5.623 2.927 -9.945 865 HG3 LYS 111 HG3 LYS 111 -5.842 4.168 -11.174 866 HD2 LYS 111 HD2 LYS 111 -3.154 3.587 -9.938 867 HD3 LYS 111 HD3 LYS 111 -3.754 2.711 -11.350 868 HE2 LYS 111 HE2 LYS 111 -4.096 4.914 -12.482 869 HE3 LYS 111 HE3 LYS 111 -3.304 5.686 -11.111 870 HZ1 LYS 111 HZ1 LYS 111 -1.842 5.247 -13.050 871 HZ2 LYS 111 HZ2 LYS 111 -2.024 3.585 -12.771 872 HZ3 LYS 111 HZ3 LYS 111 -1.292 4.571 -11.601 873 H ARG 112 H ARG 112 -7.008 4.300 -5.790 874 HA ARG 112 HA ARG 112 -8.538 2.460 -7.422 875 HB2 ARG 112 HB2 ARG 112 -7.381 1.741 -4.798 876 HB3 ARG 112 HB3 ARG 112 -8.926 1.040 -5.278 877 HG2 ARG 112 HG2 ARG 112 -6.477 1.001 -7.020 878 HG3 ARG 112 HG3 ARG 112 -6.893 -0.291 -5.886 879 HD2 ARG 112 HD2 ARG 112 -8.701 0.663 -8.100 880 HD3 ARG 112 HD3 ARG 112 -7.639 -0.745 -8.209 881 HE ARG 112 HE ARG 112 -10.104 -0.525 -6.710 882 HH11 ARG 112 HH12 ARG 112 -7.162 -2.309 -7.266 883 HH12 ARG 112 HH11 ARG 112 -7.710 -3.737 -6.450 884 HH21 ARG 112 HH22 ARG 112 -10.836 -2.394 -5.609 885 HH22 ARG 112 HH21 ARG 112 -9.815 -3.788 -5.511 886 H GLY 113 H GLY 113 -10.044 4.377 -7.517 887 HA2 GLY 113 HA3 GLY 113 -12.025 3.730 -5.436 888 HA3 GLY 113 HA2 GLY 113 -12.076 5.182 -6.444 889 HA PRO 114 HA PRO 114 -14.603 3.475 -9.536 890 HB2 PRO 114 HB2 PRO 114 -12.442 3.379 -11.572 891 HB3 PRO 114 HB3 PRO 114 -14.012 4.189 -11.627 892 HG2 PRO 114 HG2 PRO 114 -11.780 5.589 -11.259 893 HG3 PRO 114 HG3 PRO 114 -13.267 6.001 -10.384 894 HD2 PRO 114 HD2 PRO 114 -10.834 4.557 -9.415 895 HD3 PRO 114 HD3 PRO 114 -11.846 5.753 -8.577 896 H ARG 115 H ARG 115 -11.619 1.692 -9.045 897 HA ARG 115 HA ARG 115 -12.910 -0.652 -10.289 898 HB2 ARG 115 HB2 ARG 115 -10.029 0.120 -10.021 899 HB3 ARG 115 HB3 ARG 115 -10.470 -1.574 -10.163 900 HG2 ARG 115 HG2 ARG 115 -9.915 -0.832 -12.328 901 HG3 ARG 115 HG3 ARG 115 -11.670 -0.978 -12.289 902 HD2 ARG 115 HD2 ARG 115 -11.972 1.348 -12.222 903 HD3 ARG 115 HD3 ARG 115 -10.295 1.638 -11.759 904 HE ARG 115 HE ARG 115 -10.147 0.415 -14.211 905 HH11 ARG 115 HH12 ARG 115 -11.767 3.287 -13.012 906 HH12 ARG 115 HH11 ARG 115 -11.561 4.174 -14.486 907 HH21 ARG 115 HH22 ARG 115 -9.860 1.591 -16.146 908 HH22 ARG 115 HH21 ARG 115 -10.457 3.225 -16.253 909 H THR 116 H THR 116 -12.819 0.584 -7.401 910 HA THR 116 HA THR 116 -11.640 -1.480 -5.840 911 HB THR 116 HB THR 116 -12.573 -0.362 -3.924 912 HG1 THR 116 HG1 THR 116 -13.644 1.765 -4.491 913 HG21 THR 116 HG21 THR 116 -11.360 1.501 -5.962 914 HG22 THR 116 HG22 THR 116 -10.473 0.405 -4.905 915 HG23 THR 116 HG23 THR 116 -11.369 1.758 -4.216 916 H HIS 117 H HIS 117 -12.404 -3.323 -6.187 917 HA HIS 117 HA HIS 117 -14.380 -4.736 -5.171 918 HB2 HIS 117 HB2 HIS 117 -16.153 -4.900 -6.946 919 HB3 HIS 117 HB3 HIS 117 -16.172 -3.346 -6.130 920 HD1 HIS 117 HD1 HIS 117 -16.217 -1.351 -7.598 921 HD2 HIS 117 HD2 HIS 117 -14.861 -4.730 -9.610 922 HE1 HIS 117 HE1 HIS 117 -15.992 -0.662 -10.003 923 HE2 HIS 117 HE2 HIS 117 -15.010 -2.666 -11.171 924 H TYR 118 H TYR 118 -14.758 -6.751 -7.064 925 HA TYR 118 HA TYR 118 -11.984 -6.936 -7.917 926 HB2 TYR 118 HB2 TYR 118 -13.216 -8.949 -7.042 927 HB3 TYR 118 HB3 TYR 118 -14.218 -8.904 -8.493 928 HD1 TYR 118 HD1 TYR 118 -10.567 -8.789 -7.662 929 HD2 TYR 118 HD2 TYR 118 -13.635 -10.372 -10.144 930 HE1 TYR 118 HE1 TYR 118 -8.902 -10.159 -8.842 931 HE2 TYR 118 HE2 TYR 118 -11.980 -11.743 -11.332 932 HH TYR 118 HH TYR 118 -8.829 -12.229 -10.164 933 H GLY 119 H GLY 119 -12.025 -5.188 -9.137 934 HA2 GLY 119 HA3 GLY 119 -13.105 -5.469 -11.847 935 HA3 GLY 119 HA2 GLY 119 -12.634 -3.936 -11.105 936 H GLN 120 H GLN 120 -10.394 -4.797 -9.812 937 HA GLN 120 HA GLN 120 -8.541 -5.081 -12.089 938 HB2 GLN 120 HB2 GLN 120 -9.001 -2.684 -11.014 939 HB3 GLN 120 HB3 GLN 120 -7.921 -3.303 -9.763 940 HG2 GLN 120 HG2 GLN 120 -6.138 -3.625 -11.298 941 HG3 GLN 120 HG3 GLN 120 -7.182 -3.283 -12.675 942 HE21 GLN 120 HE21 GLN 120 -8.495 -1.056 -11.386 943 HE22 GLN 120 HE22 GLN 120 -7.362 0.254 -11.406 944 H LYS 121 H LYS 121 -6.635 -6.169 -11.651 945 HA LYS 121 HA LYS 121 -6.548 -7.826 -9.312 946 HB2 LYS 121 HB2 LYS 121 -5.643 -8.157 -11.852 947 HB3 LYS 121 HB3 LYS 121 -4.156 -7.630 -11.068 948 HG2 LYS 121 HG2 LYS 121 -4.388 -10.078 -11.151 949 HG3 LYS 121 HG3 LYS 121 -4.285 -9.458 -9.500 950 HD2 LYS 121 HD2 LYS 121 -6.647 -9.696 -9.194 951 HD3 LYS 121 HD3 LYS 121 -6.881 -10.090 -10.897 952 HE2 LYS 121 HE2 LYS 121 -5.703 -12.169 -10.632 953 HE3 LYS 121 HE3 LYS 121 -5.260 -11.752 -8.976 954 HZ1 LYS 121 HZ1 LYS 121 -7.509 -11.924 -8.290 955 HZ2 LYS 121 HZ2 LYS 121 -7.172 -13.322 -9.190 956 HZ3 LYS 121 HZ3 LYS 121 -8.070 -12.062 -9.885 957 H ALA 122 H ALA 122 -6.042 -4.738 -9.527 958 HA ALA 122 HA ALA 122 -3.577 -4.358 -8.158 959 HB1 ALA 122 HB1 ALA 122 -4.680 -2.542 -9.374 960 HB2 ALA 122 HB2 ALA 122 -6.034 -2.602 -8.245 961 HB3 ALA 122 HB3 ALA 122 -4.437 -2.117 -7.679 962 H ILE 123 H ILE 123 -6.313 -5.942 -7.310 963 HA ILE 123 HA ILE 123 -6.344 -5.265 -4.477 964 HB ILE 123 HB ILE 123 -7.733 -7.602 -5.788 965 HG12 ILE 123 HG12 ILE 123 -8.820 -4.795 -5.622 966 HG13 ILE 123 HG13 ILE 123 -8.228 -5.563 -7.094 967 HG21 ILE 123 HG21 ILE 123 -8.501 -5.836 -3.449 968 HG22 ILE 123 HG22 ILE 123 -9.404 -7.233 -4.029 969 HG23 ILE 123 HG23 ILE 123 -7.800 -7.453 -3.321 970 HD11 ILE 123 HD11 ILE 123 -10.534 -6.517 -5.420 971 HD12 ILE 123 HD12 ILE 123 -10.649 -5.653 -6.954 972 HD13 ILE 123 HD13 ILE 123 -9.946 -7.269 -6.903 973 H LEU 124 H LEU 124 -4.418 -6.995 -6.491 974 HA LEU 124 HA LEU 124 -3.956 -9.282 -4.728 975 HB2 LEU 124 HB2 LEU 124 -4.097 -9.711 -7.111 976 HB3 LEU 124 HB3 LEU 124 -2.853 -8.522 -7.436 977 HG LEU 124 HG LEU 124 -1.248 -9.988 -6.159 978 HD11 LEU 124 HD11 LEU 124 -1.861 -12.335 -5.875 979 HD12 LEU 124 HD12 LEU 124 -2.869 -11.278 -4.889 980 HD13 LEU 124 HD13 LEU 124 -3.508 -11.967 -6.383 981 HD21 LEU 124 HD21 LEU 124 -0.954 -11.557 -8.017 982 HD22 LEU 124 HD22 LEU 124 -2.557 -11.135 -8.620 983 HD23 LEU 124 HD23 LEU 124 -1.279 -9.919 -8.587 984 H PHE 125 H PHE 125 -2.996 -8.238 -2.941 985 HA PHE 125 HA PHE 125 -0.528 -6.753 -3.435 986 HB2 PHE 125 HB2 PHE 125 -2.172 -7.139 -0.936 987 HB3 PHE 125 HB3 PHE 125 -0.654 -6.263 -0.993 988 HD1 PHE 125 HD1 PHE 125 -4.177 -6.230 -1.918 989 HD2 PHE 125 HD2 PHE 125 -0.504 -4.091 -2.002 990 HE1 PHE 125 HE1 PHE 125 -5.388 -4.185 -2.546 991 HE2 PHE 125 HE2 PHE 125 -1.706 -2.043 -2.625 992 HZ PHE 125 HZ PHE 125 -4.164 -2.066 -2.799 993 H LEU 126 H LEU 126 1.363 -7.195 -2.355 994 HA LEU 126 HA LEU 126 1.633 -9.745 -0.969 995 HB2 LEU 126 HB2 LEU 126 2.347 -10.021 -3.368 996 HB3 LEU 126 HB3 LEU 126 3.555 -8.780 -3.099 997 HG LEU 126 HG LEU 126 4.593 -10.236 -1.358 998 HD11 LEU 126 HD11 LEU 126 3.968 -12.600 -1.289 999 HD12 LEU 126 HD12 LEU 126 2.633 -11.566 -0.779 1000 HD13 LEU 126 HD13 LEU 126 2.630 -12.280 -2.392 1001 HD21 LEU 126 HD21 LEU 126 5.608 -11.800 -2.944 1002 HD22 LEU 126 HD22 LEU 126 4.336 -11.443 -4.111 1003 HD23 LEU 126 HD23 LEU 126 5.472 -10.182 -3.630 1004 HA PRO 127 HA PRO 127 3.869 -6.697 1.367 1005 HB2 PRO 127 HB2 PRO 127 3.556 -7.945 3.757 1006 HB3 PRO 127 HB3 PRO 127 2.213 -7.166 2.918 1007 HG2 PRO 127 HG2 PRO 127 2.691 -10.010 3.375 1008 HG3 PRO 127 HG3 PRO 127 1.220 -9.205 2.808 1009 HD2 PRO 127 HD2 PRO 127 3.323 -10.542 1.256 1010 HD3 PRO 127 HD3 PRO 127 1.687 -10.060 0.753 1011 H LEU 128 H LEU 128 6.037 -6.714 0.933 1012 HA LEU 128 HA LEU 128 7.605 -8.925 2.100 1013 HB2 LEU 128 HB2 LEU 128 8.239 -7.254 -0.336 1014 HB3 LEU 128 HB3 LEU 128 9.303 -8.460 0.359 1015 HG LEU 128 HG LEU 128 6.585 -9.036 -0.827 1016 HD11 LEU 128 HD11 LEU 128 7.839 -10.070 -2.655 1017 HD12 LEU 128 HD12 LEU 128 8.182 -8.343 -2.527 1018 HD13 LEU 128 HD13 LEU 128 9.350 -9.521 -1.928 1019 HD21 LEU 128 HD21 LEU 128 8.759 -10.883 0.155 1020 HD22 LEU 128 HD22 LEU 128 7.203 -10.605 0.935 1021 HD23 LEU 128 HD23 LEU 128 7.270 -11.378 -0.650 1022 HA PRO 129 HA PRO 129 9.320 -5.390 4.318 1023 HB2 PRO 129 HB2 PRO 129 10.193 -6.745 6.469 1024 HB3 PRO 129 HB3 PRO 129 8.479 -6.364 6.243 1025 HG2 PRO 129 HG2 PRO 129 9.924 -8.941 5.845 1026 HG3 PRO 129 HG3 PRO 129 8.275 -8.653 6.422 1027 HD2 PRO 129 HD2 PRO 129 9.002 -9.403 3.825 1028 HD3 PRO 129 HD3 PRO 129 7.429 -8.745 4.314 1029 H VAL 130 H VAL 130 11.540 -4.816 4.969 1030 HA VAL 130 HA VAL 130 13.358 -6.043 3.084 1031 HB VAL 130 HB VAL 130 14.824 -4.087 3.575 1032 HG11 VAL 130 HG11 VAL 130 12.021 -3.441 2.685 1033 HG12 VAL 130 HG12 VAL 130 13.451 -2.459 2.365 1034 HG13 VAL 130 HG13 VAL 130 13.316 -4.076 1.670 1035 HG21 VAL 130 HG21 VAL 130 12.469 -3.119 5.185 1036 HG22 VAL 130 HG22 VAL 130 14.055 -3.558 5.822 1037 HG23 VAL 130 HG23 VAL 130 13.887 -2.161 4.758 1038 H SER 131 H SER 131 14.765 -7.491 3.686 1039 HA SER 131 HA SER 131 15.007 -8.035 6.514 1040 HB2 SER 131 HB2 SER 131 16.380 -10.030 5.504 1041 HB3 SER 131 HB3 SER 131 14.622 -10.002 5.351 1042 HG SER 131 HG SER 131 16.590 -9.728 3.417 1043 H SER 132 H SER 132 16.543 -7.194 7.673 1044 HA SER 132 HA SER 132 19.280 -7.356 6.660 1045 HB2 SER 132 HB2 SER 132 18.165 -5.015 8.241 1046 HB3 SER 132 HB3 SER 132 19.855 -5.233 7.779 1047 HG SER 132 HG SER 132 18.238 -5.462 5.628 1048 H ASP 133 H ASP 133 19.364 -9.294 7.782 1049 HA ASP 133 HA ASP 133 18.670 -9.219 10.631 1050 HB2 ASP 133 HB2 ASP 133 17.538 -10.819 8.944 1051 HB3 ASP 133 HB3 ASP 133 19.055 -11.713 8.992 Start of MODEL 10 1 H1 TYR 1 H1 TYR 1 16.393 -7.999 10.561 2 H2 TYR 1 H2 TYR 1 15.905 -9.372 9.695 3 H3 TYR 1 H3 TYR 1 14.756 -8.454 10.548 4 HA TYR 1 HA TYR 1 16.302 -7.592 8.172 5 HB2 TYR 1 HB2 TYR 1 13.336 -8.058 8.589 6 HB3 TYR 1 HB3 TYR 1 14.071 -7.439 7.118 7 HD1 TYR 1 HD2 TYR 1 15.627 -8.962 5.819 8 HD2 TYR 1 HD1 TYR 1 13.139 -10.372 8.970 9 HE1 TYR 1 HE2 TYR 1 15.861 -11.259 4.969 10 HE2 TYR 1 HE1 TYR 1 13.366 -12.671 8.128 11 HH TYR 1 HH TYR 1 13.863 -13.761 5.871 12 H LYS 2 H LYS 2 15.509 -5.493 7.344 13 HA LYS 2 HA LYS 2 14.988 -3.559 9.429 14 HB2 LYS 2 HB2 LYS 2 16.404 -2.962 7.506 15 HB3 LYS 2 HB3 LYS 2 15.103 -3.357 6.398 16 HG2 LYS 2 HG2 LYS 2 13.798 -1.468 7.274 17 HG3 LYS 2 HG3 LYS 2 15.131 -1.068 8.364 18 HD2 LYS 2 HD2 LYS 2 16.573 -0.536 6.560 19 HD3 LYS 2 HD3 LYS 2 15.487 -1.267 5.380 20 HE2 LYS 2 HE2 LYS 2 15.237 1.065 5.136 21 HE3 LYS 2 HE3 LYS 2 13.810 0.514 6.008 22 HZ1 LYS 2 HZ1 LYS 2 16.191 1.840 7.195 23 HZ2 LYS 2 HZ2 LYS 2 14.865 1.256 8.077 24 HZ3 LYS 2 HZ3 LYS 2 14.658 2.530 6.977 25 H LYS 3 H LYS 3 12.948 -2.534 9.713 26 HA LYS 3 HA LYS 3 10.906 -4.498 9.254 27 HB2 LYS 3 HB2 LYS 3 11.003 -2.011 10.900 28 HB3 LYS 3 HB3 LYS 3 9.491 -2.844 10.575 29 HG2 LYS 3 HG2 LYS 3 10.349 -3.581 12.697 30 HG3 LYS 3 HG3 LYS 3 10.458 -4.909 11.539 31 HD2 LYS 3 HD2 LYS 3 12.848 -4.263 11.156 32 HD3 LYS 3 HD3 LYS 3 12.689 -3.114 12.484 33 HE2 LYS 3 HE2 LYS 3 12.350 -6.107 12.646 34 HE3 LYS 3 HE3 LYS 3 13.713 -5.172 13.258 35 HZ1 LYS 3 HZ1 LYS 3 12.381 -5.556 15.108 36 HZ2 LYS 3 HZ2 LYS 3 10.940 -5.262 14.270 37 HZ3 LYS 3 HZ3 LYS 3 11.972 -3.972 14.656 38 HA PRO 4 HA PRO 4 9.074 -0.514 6.740 39 HB2 PRO 4 HB2 PRO 4 11.745 -0.555 5.381 40 HB3 PRO 4 HB3 PRO 4 10.564 0.756 5.488 41 HG2 PRO 4 HG2 PRO 4 12.742 0.654 7.065 42 HG3 PRO 4 HG3 PRO 4 11.203 1.339 7.611 43 HD2 PRO 4 HD2 PRO 4 12.533 -1.132 8.445 44 HD3 PRO 4 HD3 PRO 4 11.211 -0.247 9.228 45 H LYS 5 H LYS 5 7.826 -1.573 5.396 46 HA LYS 5 HA LYS 5 8.872 -3.924 3.995 47 HB2 LYS 5 HB2 LYS 5 6.039 -3.166 4.755 48 HB3 LYS 5 HB3 LYS 5 6.485 -4.611 3.853 49 HG2 LYS 5 HG2 LYS 5 7.670 -5.505 5.709 50 HG3 LYS 5 HG3 LYS 5 7.541 -3.989 6.597 51 HD2 LYS 5 HD2 LYS 5 5.115 -4.280 6.741 52 HD3 LYS 5 HD3 LYS 5 5.246 -5.799 5.846 53 HE2 LYS 5 HE2 LYS 5 6.575 -6.772 7.602 54 HE3 LYS 5 HE3 LYS 5 6.621 -5.239 8.469 55 HZ1 LYS 5 HZ1 LYS 5 4.320 -5.393 8.944 56 HZ2 LYS 5 HZ2 LYS 5 5.000 -6.898 9.332 57 HZ3 LYS 5 HZ3 LYS 5 4.110 -6.715 7.899 58 H LEU 6 H LEU 6 8.246 -4.218 1.815 59 HA LEU 6 HA LEU 6 7.925 -1.653 0.470 60 HB2 LEU 6 HB2 LEU 6 8.981 -2.557 -1.441 61 HB3 LEU 6 HB3 LEU 6 9.952 -2.966 -0.052 62 HG LEU 6 HG LEU 6 8.939 -5.290 -0.174 63 HD11 LEU 6 HD11 LEU 6 8.112 -4.337 -2.914 64 HD12 LEU 6 HD12 LEU 6 8.032 -5.993 -2.315 65 HD13 LEU 6 HD13 LEU 6 7.008 -4.747 -1.603 66 HD21 LEU 6 HD21 LEU 6 10.393 -5.920 -2.067 67 HD22 LEU 6 HD22 LEU 6 10.593 -4.204 -2.435 68 HD23 LEU 6 HD23 LEU 6 11.179 -4.852 -0.900 69 H LEU 7 H LEU 7 6.625 -1.484 -1.366 70 HA LEU 7 HA LEU 7 4.141 -2.962 -1.056 71 HB2 LEU 7 HB2 LEU 7 4.249 -0.455 -1.178 72 HB3 LEU 7 HB3 LEU 7 4.809 -0.606 -2.827 73 HG LEU 7 HG LEU 7 2.445 0.005 -2.708 74 HD11 LEU 7 HD11 LEU 7 1.503 -1.717 -4.166 75 HD12 LEU 7 HD12 LEU 7 3.080 -1.105 -4.675 76 HD13 LEU 7 HD13 LEU 7 2.953 -2.684 -3.888 77 HD21 LEU 7 HD21 LEU 7 0.784 -1.565 -1.869 78 HD22 LEU 7 HD22 LEU 7 2.071 -2.660 -1.362 79 HD23 LEU 7 HD23 LEU 7 1.904 -1.081 -0.595 80 H TYR 8 H TYR 8 4.849 -4.976 -2.002 81 HA TYR 8 HA TYR 8 4.795 -4.750 -4.958 82 HB2 TYR 8 HB2 TYR 8 6.668 -6.017 -3.970 83 HB3 TYR 8 HB3 TYR 8 5.547 -7.009 -3.064 84 HD1 TYR 8 HD1 TYR 8 3.937 -8.501 -4.510 85 HD2 TYR 8 HD2 TYR 8 7.541 -6.770 -5.960 86 HE1 TYR 8 HE1 TYR 8 4.045 -10.214 -6.265 87 HE2 TYR 8 HE2 TYR 8 7.649 -8.474 -7.731 88 HH TYR 8 HH TYR 8 6.806 -10.754 -8.141 89 H CYS 9 H CYS 9 2.377 -4.320 -4.985 90 HA CYS 9 HA CYS 9 1.055 -6.945 -4.631 91 HB2 CYS 9 HB2 CYS 9 -0.469 -4.376 -4.560 92 HB3 CYS 9 HB3 CYS 9 -0.834 -5.915 -3.784 93 HG CYS 9 HG CYS 9 -0.335 -4.215 -1.705 94 H SER 10 H SER 10 2.005 -6.821 -7.026 95 HA SER 10 HA SER 10 -0.558 -7.370 -8.223 96 HB2 SER 10 HB2 SER 10 1.865 -6.565 -9.880 97 HB3 SER 10 HB3 SER 10 0.222 -6.853 -10.456 98 HG SER 10 HG SER 10 -0.065 -4.994 -8.695 99 H ASN 11 H ASN 11 -0.293 -9.774 -9.095 100 HA ASN 11 HA ASN 11 2.362 -10.715 -8.360 101 HB2 ASN 11 HB2 ASN 11 0.309 -12.237 -8.358 102 HB3 ASN 11 HB3 ASN 11 0.390 -12.197 -10.119 103 HD21 ASN 11 HD21 ASN 11 0.761 -14.425 -10.189 104 HD22 ASN 11 HD22 ASN 11 2.307 -15.092 -9.785 105 H GLY 12 H GLY 12 3.779 -9.554 -9.443 106 HA2 GLY 12 HA3 GLY 12 4.188 -10.036 -12.256 107 HA3 GLY 12 HA2 GLY 12 3.789 -8.364 -11.872 108 H GLY 13 H GLY 13 5.356 -7.060 -11.408 109 HA2 GLY 13 HA3 GLY 13 7.056 -7.433 -9.266 110 HA3 GLY 13 HA2 GLY 13 8.007 -7.816 -10.694 111 H HIS 14 H HIS 14 5.919 -5.314 -9.340 112 HA HIS 14 HA HIS 14 7.917 -3.330 -10.092 113 HB2 HIS 14 HB2 HIS 14 4.940 -3.206 -10.383 114 HB3 HIS 14 HB3 HIS 14 5.807 -1.734 -9.960 115 HD1 HIS 14 HD1 HIS 14 5.590 -4.311 -12.736 116 HD2 HIS 14 HD2 HIS 14 7.069 -0.484 -12.039 117 HE1 HIS 14 HE1 HIS 14 6.316 -3.443 -14.982 118 HE2 HIS 14 HE2 HIS 14 7.132 -1.093 -14.552 119 H PHE 15 H PHE 15 7.748 -1.405 -8.525 120 HA PHE 15 HA PHE 15 6.814 -2.226 -5.881 121 HB2 PHE 15 HB2 PHE 15 9.585 -1.130 -6.431 122 HB3 PHE 15 HB3 PHE 15 8.932 -1.567 -4.856 123 HD1 PHE 15 HD1 PHE 15 10.202 -2.861 -8.050 124 HD2 PHE 15 HD2 PHE 15 8.839 -3.858 -4.147 125 HE1 PHE 15 HE1 PHE 15 11.073 -5.142 -8.334 126 HE2 PHE 15 HE2 PHE 15 9.711 -6.141 -4.423 127 HZ PHE 15 HZ PHE 15 10.828 -6.786 -6.519 128 H LEU 16 H LEU 16 5.995 -0.551 -4.712 129 HA LEU 16 HA LEU 16 5.499 1.831 -6.187 130 HB2 LEU 16 HB2 LEU 16 3.586 1.320 -5.149 131 HB3 LEU 16 HB3 LEU 16 4.391 0.339 -3.955 132 HG LEU 16 HG LEU 16 4.198 3.340 -3.731 133 HD11 LEU 16 HD11 LEU 16 2.373 1.217 -2.610 134 HD12 LEU 16 HD12 LEU 16 2.309 2.937 -2.229 135 HD13 LEU 16 HD13 LEU 16 1.959 2.383 -3.865 136 HD21 LEU 16 HD21 LEU 16 4.716 1.163 -1.696 137 HD22 LEU 16 HD22 LEU 16 5.902 2.316 -2.306 138 HD23 LEU 16 HD23 LEU 16 4.541 2.880 -1.337 139 H ARG 17 H ARG 17 6.159 3.814 -5.797 140 HA ARG 17 HA ARG 17 8.542 4.107 -4.060 141 HB2 ARG 17 HB2 ARG 17 8.667 3.608 -6.671 142 HB3 ARG 17 HB3 ARG 17 8.308 5.319 -6.791 143 HG2 ARG 17 HG2 ARG 17 10.324 5.870 -5.603 144 HG3 ARG 17 HG3 ARG 17 10.660 4.156 -5.322 145 HD2 ARG 17 HD2 ARG 17 10.628 3.848 -7.817 146 HD3 ARG 17 HD3 ARG 17 10.573 5.604 -7.959 147 HE ARG 17 HE ARG 17 12.808 4.098 -6.748 148 HH11 ARG 17 HH12 ARG 17 11.558 6.814 -8.582 149 HH12 ARG 17 HH11 ARG 17 13.127 7.489 -8.889 150 HH21 ARG 17 HH22 ARG 17 14.866 4.976 -7.165 151 HH22 ARG 17 HH21 ARG 17 15.009 6.447 -8.087 152 H ILE 18 H ILE 18 8.746 6.247 -3.138 153 HA ILE 18 HA ILE 18 6.393 7.898 -3.586 154 HB ILE 18 HB ILE 18 7.141 9.213 -1.684 155 HG12 ILE 18 HG12 ILE 18 9.059 7.820 -0.356 156 HG13 ILE 18 HG13 ILE 18 9.595 7.603 -2.018 157 HG21 ILE 18 HG21 ILE 18 6.792 7.492 0.033 158 HG22 ILE 18 HG22 ILE 18 5.686 7.308 -1.327 159 HG23 ILE 18 HG23 ILE 18 7.085 6.243 -1.177 160 HD11 ILE 18 HD11 ILE 18 9.093 10.243 -0.659 161 HD12 ILE 18 HD12 ILE 18 10.670 9.516 -0.968 162 HD13 ILE 18 HD13 ILE 18 9.653 10.023 -2.316 163 H LEU 19 H LEU 19 6.365 9.859 -4.398 164 HA LEU 19 HA LEU 19 8.909 11.126 -5.167 165 HB2 LEU 19 HB2 LEU 19 6.163 11.368 -6.418 166 HB3 LEU 19 HB3 LEU 19 7.498 12.435 -6.805 167 HG LEU 19 HG LEU 19 8.765 10.318 -7.510 168 HD11 LEU 19 HD11 LEU 19 7.393 8.435 -8.217 169 HD12 LEU 19 HD12 LEU 19 7.280 8.684 -6.475 170 HD13 LEU 19 HD13 LEU 19 5.964 9.206 -7.527 171 HD21 LEU 19 HD21 LEU 19 6.347 11.215 -9.068 172 HD22 LEU 19 HD22 LEU 19 7.942 11.967 -9.089 173 HD23 LEU 19 HD23 LEU 19 7.728 10.337 -9.727 174 HA PRO 20 HA PRO 20 8.105 13.876 -1.979 175 HB2 PRO 20 HB2 PRO 20 9.319 16.106 -3.415 176 HB3 PRO 20 HB3 PRO 20 9.941 15.205 -2.030 177 HG2 PRO 20 HG2 PRO 20 11.055 15.000 -4.471 178 HG3 PRO 20 HG3 PRO 20 10.968 13.616 -3.363 179 HD2 PRO 20 HD2 PRO 20 9.210 14.285 -5.705 180 HD3 PRO 20 HD3 PRO 20 9.916 12.720 -5.240 181 H ASP 21 H ASP 21 6.478 14.377 -4.790 182 HA ASP 21 HA ASP 21 5.231 16.887 -3.934 183 HB2 ASP 21 HB2 ASP 21 4.201 16.993 -6.077 184 HB3 ASP 21 HB3 ASP 21 5.862 16.483 -6.358 185 H GLY 22 H GLY 22 4.720 13.478 -4.006 186 HA2 GLY 22 HA3 GLY 22 3.028 12.715 -2.345 187 HA3 GLY 22 HA2 GLY 22 1.940 13.883 -3.079 188 H THR 23 H THR 23 4.101 11.339 -4.372 189 HA THR 23 HA THR 23 1.782 10.115 -5.672 190 HB THR 23 HB THR 23 4.482 9.774 -6.815 191 HG1 THR 23 HG1 THR 23 4.321 12.094 -6.609 192 HG21 THR 23 HG21 THR 23 2.543 8.596 -7.686 193 HG22 THR 23 HG22 THR 23 3.216 9.681 -8.901 194 HG23 THR 23 HG23 THR 23 1.747 10.129 -8.033 195 H VAL 24 H VAL 24 1.721 7.910 -5.382 196 HA VAL 24 HA VAL 24 4.313 6.686 -4.866 197 HB VAL 24 HB VAL 24 2.650 6.992 -2.844 198 HG11 VAL 24 HG11 VAL 24 0.752 5.882 -3.700 199 HG12 VAL 24 HG12 VAL 24 1.703 4.449 -4.096 200 HG13 VAL 24 HG13 VAL 24 1.423 4.882 -2.407 201 HG21 VAL 24 HG21 VAL 24 4.309 4.543 -3.351 202 HG22 VAL 24 HG22 VAL 24 4.849 6.077 -2.669 203 HG23 VAL 24 HG23 VAL 24 3.722 5.063 -1.770 204 H ASP 25 H ASP 25 4.680 5.697 -6.717 205 HA ASP 25 HA ASP 25 2.680 3.792 -7.683 206 HB2 ASP 25 HB2 ASP 25 3.156 4.357 -10.035 207 HB3 ASP 25 HB3 ASP 25 2.457 5.712 -9.161 208 H GLY 26 H GLY 26 3.532 2.194 -9.273 209 HA2 GLY 26 HA3 GLY 26 5.933 1.167 -8.027 210 HA3 GLY 26 HA2 GLY 26 4.917 0.290 -9.142 211 H THR 27 H THR 27 7.687 0.726 -8.782 212 HA THR 27 HA THR 27 8.573 1.118 -11.507 213 HB THR 27 HB THR 27 9.661 2.501 -9.053 214 HG1 THR 27 HG1 THR 27 8.011 3.467 -10.579 215 HG21 THR 27 HG21 THR 27 11.520 1.449 -10.210 216 HG22 THR 27 HG22 THR 27 11.582 3.208 -10.384 217 HG23 THR 27 HG23 THR 27 11.022 2.207 -11.725 218 H ARG 28 H ARG 28 10.435 -0.365 -11.925 219 HA ARG 28 HA ARG 28 10.534 -2.270 -9.736 220 HB2 ARG 28 HB2 ARG 28 12.067 -3.595 -11.119 221 HB3 ARG 28 HB3 ARG 28 10.631 -3.172 -12.036 222 HG2 ARG 28 HG2 ARG 28 11.774 -1.779 -13.449 223 HG3 ARG 28 HG3 ARG 28 13.050 -1.452 -12.273 224 HD2 ARG 28 HD2 ARG 28 12.619 -4.065 -13.719 225 HD3 ARG 28 HD3 ARG 28 13.840 -2.859 -14.128 226 HE ARG 28 HE ARG 28 13.866 -3.987 -11.429 227 HH11 ARG 28 HH12 ARG 28 15.330 -3.804 -14.613 228 HH12 ARG 28 HH11 ARG 28 16.808 -4.569 -14.107 229 HH21 ARG 28 HH22 ARG 28 15.825 -4.937 -10.759 230 HH22 ARG 28 HH21 ARG 28 17.094 -5.191 -11.924 231 H ASP 29 H ASP 29 11.638 -1.817 -8.126 232 HA ASP 29 HA ASP 29 14.253 -0.646 -8.287 233 HB2 ASP 29 HB2 ASP 29 12.216 0.999 -7.726 234 HB3 ASP 29 HB3 ASP 29 12.461 0.327 -6.115 235 H ARG 30 H ARG 30 15.093 -0.692 -5.955 236 HA ARG 30 HA ARG 30 15.445 -3.546 -5.768 237 HB2 ARG 30 HB2 ARG 30 17.177 -1.823 -6.147 238 HB3 ARG 30 HB3 ARG 30 16.784 -1.174 -4.556 239 HG2 ARG 30 HG2 ARG 30 18.837 -2.534 -4.507 240 HG3 ARG 30 HG3 ARG 30 17.565 -3.291 -3.542 241 HD2 ARG 30 HD2 ARG 30 17.002 -4.712 -5.496 242 HD3 ARG 30 HD3 ARG 30 18.373 -4.018 -6.354 243 HE ARG 30 HE ARG 30 19.400 -5.018 -4.002 244 HH11 ARG 30 HH12 ARG 30 17.674 -6.253 -6.789 245 HH12 ARG 30 HH11 ARG 30 18.346 -7.853 -6.659 246 HH21 ARG 30 HH22 ARG 30 20.295 -7.133 -3.833 247 HH22 ARG 30 HH21 ARG 30 19.822 -8.350 -4.979 248 H SER 31 H SER 31 13.134 -1.999 -4.257 249 HA SER 31 HA SER 31 12.363 -1.513 -2.164 250 HB2 SER 31 HB2 SER 31 12.600 -3.960 -1.779 251 HB3 SER 31 HB3 SER 31 14.273 -3.712 -1.287 252 HG SER 31 HG SER 31 13.376 -2.284 0.371 253 H ASP 32 H ASP 32 14.145 0.069 -3.252 254 HA ASP 32 HA ASP 32 16.577 0.379 -1.821 255 HB2 ASP 32 HB2 ASP 32 17.173 1.892 -3.479 256 HB3 ASP 32 HB3 ASP 32 16.066 0.837 -4.348 257 H GLN 33 H GLN 33 16.893 2.993 -1.764 258 HA GLN 33 HA GLN 33 15.896 3.841 0.684 259 HB2 GLN 33 HB2 GLN 33 17.000 5.322 -1.678 260 HB3 GLN 33 HB3 GLN 33 16.886 6.002 -0.051 261 HG2 GLN 33 HG2 GLN 33 18.452 4.349 0.764 262 HG3 GLN 33 HG3 GLN 33 18.490 3.567 -0.816 263 HE21 GLN 33 HE21 GLN 33 19.541 4.609 -2.536 264 HE22 GLN 33 HE22 GLN 33 20.722 5.846 -2.249 265 H HIS 34 H HIS 34 13.926 3.420 -1.900 266 HA HIS 34 HA HIS 34 12.278 5.740 -1.171 267 HB2 HIS 34 HB2 HIS 34 12.541 4.449 -3.891 268 HB3 HIS 34 HB3 HIS 34 11.348 5.675 -3.480 269 HD1 HIS 34 HD1 HIS 34 14.970 5.203 -4.246 270 HD2 HIS 34 HD2 HIS 34 12.354 8.287 -3.247 271 HE1 HIS 34 HE1 HIS 34 16.212 7.341 -4.728 272 HE2 HIS 34 HE2 HIS 34 14.538 9.182 -4.310 273 H ILE 35 H ILE 35 12.444 2.268 -1.744 274 HA ILE 35 HA ILE 35 9.532 2.056 -1.846 275 HB ILE 35 HB ILE 35 11.404 -0.298 -1.824 276 HG12 ILE 35 HG12 ILE 35 12.306 1.318 -3.458 277 HG13 ILE 35 HG13 ILE 35 11.624 -0.093 -4.261 278 HG21 ILE 35 HG21 ILE 35 8.998 -0.733 -1.730 279 HG22 ILE 35 HG22 ILE 35 8.761 0.224 -3.191 280 HG23 ILE 35 HG23 ILE 35 9.681 -1.280 -3.260 281 HD11 ILE 35 HD11 ILE 35 9.614 1.172 -4.790 282 HD12 ILE 35 HD12 ILE 35 10.280 2.580 -3.961 283 HD13 ILE 35 HD13 ILE 35 11.058 1.968 -5.421 284 H GLN 36 H GLN 36 10.802 2.832 0.868 285 HA GLN 36 HA GLN 36 10.093 0.323 2.264 286 HB2 GLN 36 HB2 GLN 36 11.608 0.885 4.030 287 HB3 GLN 36 HB3 GLN 36 12.444 0.962 2.490 288 HG2 GLN 36 HG2 GLN 36 11.554 3.568 2.894 289 HG3 GLN 36 HG3 GLN 36 12.041 2.998 4.498 290 HE21 GLN 36 HE21 GLN 36 13.141 3.666 1.289 291 HE22 GLN 36 HE22 GLN 36 14.830 3.582 1.637 292 H LEU 37 H LEU 37 8.031 0.482 2.854 293 HA LEU 37 HA LEU 37 7.290 2.767 4.534 294 HB2 LEU 37 HB2 LEU 37 4.900 2.012 4.050 295 HB3 LEU 37 HB3 LEU 37 5.762 2.914 2.832 296 HG LEU 37 HG LEU 37 5.604 -0.094 2.735 297 HD11 LEU 37 HD11 LEU 37 3.317 0.765 2.886 298 HD12 LEU 37 HD12 LEU 37 3.641 1.863 1.545 299 HD13 LEU 37 HD13 LEU 37 3.661 0.119 1.282 300 HD21 LEU 37 HD21 LEU 37 7.235 1.001 1.265 301 HD22 LEU 37 HD22 LEU 37 5.929 0.255 0.343 302 HD23 LEU 37 HD23 LEU 37 5.951 2.002 0.589 303 H GLN 38 H GLN 38 6.299 2.379 6.437 304 HA GLN 38 HA GLN 38 7.017 -0.262 7.439 305 HB2 GLN 38 HB2 GLN 38 8.076 1.119 8.848 306 HB3 GLN 38 HB3 GLN 38 7.019 2.476 8.503 307 HG2 GLN 38 HG2 GLN 38 5.375 1.583 10.074 308 HG3 GLN 38 HG3 GLN 38 6.393 0.168 10.355 309 HE21 GLN 38 HE21 GLN 38 8.302 0.405 11.533 310 HE22 GLN 38 HE22 GLN 38 8.613 1.794 12.513 311 H LEU 39 H LEU 39 5.509 -1.677 7.395 312 HA LEU 39 HA LEU 39 2.696 -0.842 7.400 313 HB2 LEU 39 HB2 LEU 39 3.879 -2.115 5.449 314 HB3 LEU 39 HB3 LEU 39 3.751 -3.510 6.499 315 HG LEU 39 HG LEU 39 1.957 -3.286 4.740 316 HD11 LEU 39 HD11 LEU 39 1.033 -3.380 7.606 317 HD12 LEU 39 HD12 LEU 39 0.153 -3.994 6.207 318 HD13 LEU 39 HD13 LEU 39 1.680 -4.736 6.683 319 HD21 LEU 39 HD21 LEU 39 1.049 -1.048 6.540 320 HD22 LEU 39 HD22 LEU 39 1.614 -0.890 4.877 321 HD23 LEU 39 HD23 LEU 39 0.113 -1.748 5.220 322 H SER 40 H SER 40 2.106 -0.900 9.522 323 HA SER 40 HA SER 40 2.596 -3.403 10.997 324 HB2 SER 40 HB2 SER 40 1.906 -0.692 12.140 325 HB3 SER 40 HB3 SER 40 2.388 -2.131 13.040 326 HG SER 40 HG SER 40 4.125 -1.279 11.050 327 H ALA 41 H ALA 41 0.867 -4.181 12.373 328 HA ALA 41 HA ALA 41 -1.816 -3.154 11.695 329 HB1 ALA 41 HB1 ALA 41 -1.482 -5.485 10.969 330 HB2 ALA 41 HB2 ALA 41 -1.065 -5.941 12.619 331 HB3 ALA 41 HB3 ALA 41 -2.695 -5.380 12.246 332 H GLU 42 H GLU 42 -2.229 -1.727 13.289 333 HA GLU 42 HA GLU 42 -1.011 -2.216 15.902 334 HB2 GLU 42 HB2 GLU 42 -0.837 -0.044 14.340 335 HB3 GLU 42 HB3 GLU 42 -2.249 0.406 15.285 336 HG2 GLU 42 HG2 GLU 42 -0.447 1.310 16.429 337 HG3 GLU 42 HG3 GLU 42 -0.859 -0.146 17.329 338 H SER 43 H SER 43 -4.110 -1.527 14.382 339 HA SER 43 HA SER 43 -5.394 -1.887 17.009 340 HB2 SER 43 HB2 SER 43 -6.614 -0.657 14.529 341 HB3 SER 43 HB3 SER 43 -7.288 -0.665 16.161 342 HG SER 43 HG SER 43 -5.643 1.112 15.059 343 H VAL 44 H VAL 44 -7.580 -2.978 16.850 344 HA VAL 44 HA VAL 44 -7.283 -5.524 15.739 345 HB VAL 44 HB VAL 44 -8.810 -5.153 17.585 346 HG11 VAL 44 HG11 VAL 44 -9.604 -2.920 17.033 347 HG12 VAL 44 HG12 VAL 44 -10.492 -3.566 15.651 348 HG13 VAL 44 HG13 VAL 44 -10.963 -4.018 17.287 349 HG21 VAL 44 HG21 VAL 44 -10.305 -6.066 15.134 350 HG22 VAL 44 HG22 VAL 44 -9.258 -7.063 16.143 351 HG23 VAL 44 HG23 VAL 44 -10.755 -6.407 16.806 352 H GLY 45 H GLY 45 -7.135 -6.006 13.695 353 HA2 GLY 45 HA3 GLY 45 -7.891 -6.447 11.564 354 HA3 GLY 45 HA2 GLY 45 -9.345 -5.527 11.934 355 H GLU 46 H GLU 46 -6.825 -3.574 12.751 356 HA GLU 46 HA GLU 46 -7.094 -2.232 10.196 357 HB2 GLU 46 HB2 GLU 46 -7.833 -0.604 11.508 358 HB3 GLU 46 HB3 GLU 46 -7.142 -1.325 12.958 359 HG2 GLU 46 HG2 GLU 46 -5.037 -0.340 12.519 360 HG3 GLU 46 HG3 GLU 46 -5.551 0.220 10.926 361 H VAL 47 H VAL 47 -5.472 -1.634 9.014 362 HA VAL 47 HA VAL 47 -2.760 -2.220 9.972 363 HB VAL 47 HB VAL 47 -2.086 -2.162 7.563 364 HG11 VAL 47 HG11 VAL 47 -4.040 -4.294 8.416 365 HG12 VAL 47 HG12 VAL 47 -2.871 -4.449 7.105 366 HG13 VAL 47 HG13 VAL 47 -2.311 -4.252 8.766 367 HG21 VAL 47 HG21 VAL 47 -5.064 -2.336 7.100 368 HG22 VAL 47 HG22 VAL 47 -4.026 -0.975 6.675 369 HG23 VAL 47 HG23 VAL 47 -3.815 -2.530 5.870 370 H TYR 48 H TYR 48 -1.161 -0.749 9.717 371 HA TYR 48 HA TYR 48 -2.077 1.997 9.155 372 HB2 TYR 48 HB2 TYR 48 -1.457 1.238 11.588 373 HB3 TYR 48 HB3 TYR 48 0.198 1.328 11.009 374 HD1 TYR 48 HD1 TYR 48 -0.096 3.794 9.245 375 HD2 TYR 48 HD2 TYR 48 -1.450 2.941 13.188 376 HE1 TYR 48 HE1 TYR 48 -0.031 6.193 9.782 377 HE2 TYR 48 HE2 TYR 48 -1.398 5.338 13.730 378 HH TYR 48 HH TYR 48 -1.266 7.735 11.503 379 H ILE 49 H ILE 49 -1.048 2.917 7.518 380 HA ILE 49 HA ILE 49 1.341 1.588 6.464 381 HB ILE 49 HB ILE 49 -0.609 3.412 5.034 382 HG12 ILE 49 HG12 ILE 49 -0.227 0.406 4.958 383 HG13 ILE 49 HG13 ILE 49 -1.621 1.262 5.603 384 HG21 ILE 49 HG21 ILE 49 1.664 3.539 4.124 385 HG22 ILE 49 HG22 ILE 49 1.712 1.782 3.981 386 HG23 ILE 49 HG23 ILE 49 0.583 2.714 3.001 387 HD11 ILE 49 HD11 ILE 49 -2.148 2.073 3.359 388 HD12 ILE 49 HD12 ILE 49 -0.755 1.195 2.725 389 HD13 ILE 49 HD13 ILE 49 -2.105 0.311 3.435 390 H LYS 50 H LYS 50 3.049 2.532 7.262 391 HA LYS 50 HA LYS 50 3.048 5.445 7.627 392 HB2 LYS 50 HB2 LYS 50 4.751 3.329 8.959 393 HB3 LYS 50 HB3 LYS 50 4.832 5.053 9.280 394 HG2 LYS 50 HG2 LYS 50 2.573 5.013 10.173 395 HG3 LYS 50 HG3 LYS 50 2.453 3.289 9.809 396 HD2 LYS 50 HD2 LYS 50 4.274 2.811 11.341 397 HD3 LYS 50 HD3 LYS 50 4.483 4.534 11.661 398 HE2 LYS 50 HE2 LYS 50 2.262 4.635 12.645 399 HE3 LYS 50 HE3 LYS 50 2.002 2.930 12.272 400 HZ1 LYS 50 HZ1 LYS 50 2.660 3.344 14.596 401 HZ2 LYS 50 HZ2 LYS 50 4.152 3.945 14.058 402 HZ3 LYS 50 HZ3 LYS 50 3.742 2.324 13.783 403 H SER 51 H SER 51 4.728 6.665 6.781 404 HA SER 51 HA SER 51 6.757 5.419 5.184 405 HB2 SER 51 HB2 SER 51 6.756 8.216 6.357 406 HB3 SER 51 HB3 SER 51 7.671 7.645 4.966 407 HG SER 51 HG SER 51 4.852 7.605 4.983 408 H THR 52 H THR 52 8.627 4.594 6.019 409 HA THR 52 HA THR 52 9.369 5.424 8.687 410 HB THR 52 HB THR 52 11.648 4.354 7.849 411 HG1 THR 52 HG1 THR 52 11.458 3.526 5.933 412 HG21 THR 52 HG21 THR 52 9.193 2.732 8.519 413 HG22 THR 52 HG22 THR 52 10.259 3.519 9.682 414 HG23 THR 52 HG23 THR 52 10.865 2.196 8.687 415 H GLU 53 H GLU 53 11.790 5.532 6.179 416 HA GLU 53 HA GLU 53 11.870 8.424 6.633 417 HB2 GLU 53 HB2 GLU 53 13.937 8.328 5.154 418 HB3 GLU 53 HB3 GLU 53 14.039 7.536 6.715 419 HG2 GLU 53 HG2 GLU 53 13.389 6.019 4.211 420 HG3 GLU 53 HG3 GLU 53 15.048 6.356 4.696 421 H THR 54 H THR 54 11.559 6.198 3.864 422 HA THR 54 HA THR 54 10.386 8.405 2.308 423 HB THR 54 HB THR 54 11.076 6.890 0.325 424 HG1 THR 54 HG1 THR 54 13.227 5.927 1.118 425 HG21 THR 54 HG21 THR 54 13.260 8.011 0.249 426 HG22 THR 54 HG22 THR 54 13.100 8.434 1.954 427 HG23 THR 54 HG23 THR 54 11.987 9.115 0.767 428 H GLY 55 H GLY 55 8.609 6.459 3.964 429 HA2 GLY 55 HA3 GLY 55 8.300 4.380 1.945 430 HA3 GLY 55 HA2 GLY 55 7.789 4.260 3.604 431 H GLN 56 H GLN 56 6.081 6.803 3.308 432 HA GLN 56 HA GLN 56 4.352 6.844 1.147 433 HB2 GLN 56 HB2 GLN 56 4.005 4.444 1.452 434 HB3 GLN 56 HB3 GLN 56 3.543 4.696 3.122 435 HG2 GLN 56 HG2 GLN 56 1.537 4.335 2.076 436 HG3 GLN 56 HG3 GLN 56 1.622 6.093 2.146 437 HE21 GLN 56 HE21 GLN 56 1.475 7.212 0.297 438 HE22 GLN 56 HE22 GLN 56 1.472 6.514 -1.277 439 H TYR 57 H TYR 57 3.221 8.646 1.523 440 HA TYR 57 HA TYR 57 2.048 9.066 4.178 441 HB2 TYR 57 HB2 TYR 57 3.314 11.004 3.387 442 HB3 TYR 57 HB3 TYR 57 2.402 11.021 1.903 443 HD1 TYR 57 HD1 TYR 57 1.400 10.834 5.470 444 HD2 TYR 57 HD2 TYR 57 1.102 12.935 1.788 445 HE1 TYR 57 HE1 TYR 57 -0.222 12.370 6.489 446 HE2 TYR 57 HE2 TYR 57 -0.520 14.478 2.798 447 HH TYR 57 HH TYR 57 -1.167 14.531 6.195 448 H LEU 58 H LEU 58 0.655 7.273 3.613 449 HA LEU 58 HA LEU 58 -0.820 7.602 1.201 450 HB2 LEU 58 HB2 LEU 58 -0.264 5.415 2.804 451 HB3 LEU 58 HB3 LEU 58 -2.005 5.636 2.950 452 HG LEU 58 HG LEU 58 -0.584 5.598 0.298 453 HD11 LEU 58 HD11 LEU 58 -1.972 3.292 1.691 454 HD12 LEU 58 HD12 LEU 58 -1.304 3.272 0.059 455 HD13 LEU 58 HD13 LEU 58 -0.231 3.445 1.449 456 HD21 LEU 58 HD21 LEU 58 -2.772 6.648 0.291 457 HD22 LEU 58 HD22 LEU 58 -2.835 5.107 -0.564 458 HD23 LEU 58 HD23 LEU 58 -3.484 5.236 1.072 459 H ALA 59 H ALA 59 -2.384 8.622 0.871 460 HA ALA 59 HA ALA 59 -4.078 9.641 3.011 461 HB1 ALA 59 HB1 ALA 59 -2.962 11.217 0.676 462 HB2 ALA 59 HB2 ALA 59 -3.954 11.849 1.992 463 HB3 ALA 59 HB3 ALA 59 -2.310 11.280 2.311 464 H MET 60 H MET 60 -5.908 8.556 2.562 465 HA MET 60 HA MET 60 -6.642 7.966 -0.162 466 HB2 MET 60 HB2 MET 60 -7.121 6.660 2.062 467 HB3 MET 60 HB3 MET 60 -8.455 7.785 2.247 468 HG2 MET 60 HG2 MET 60 -9.352 5.835 1.286 469 HG3 MET 60 HG3 MET 60 -9.283 7.041 0.001 470 HE1 MET 60 HE1 MET 60 -8.598 3.575 -1.778 471 HE2 MET 60 HE2 MET 60 -9.634 3.850 -0.379 472 HE3 MET 60 HE3 MET 60 -9.653 4.987 -1.729 473 H ASP 61 H ASP 61 -7.759 9.301 -1.487 474 HA ASP 61 HA ASP 61 -8.706 11.819 -0.313 475 HB2 ASP 61 HB2 ASP 61 -7.038 11.667 -2.297 476 HB3 ASP 61 HB3 ASP 61 -8.475 11.277 -3.232 477 H THR 62 H THR 62 -10.619 11.584 0.295 478 HA THR 62 HA THR 62 -12.709 10.972 0.654 479 HB THR 62 HB THR 62 -12.974 12.220 -1.664 480 HG1 THR 62 HG1 THR 62 -15.297 11.595 -1.480 481 HG21 THR 62 HG21 THR 62 -13.868 9.419 -2.381 482 HG22 THR 62 HG22 THR 62 -12.554 10.315 -3.142 483 HG23 THR 62 HG23 THR 62 -14.218 10.878 -3.309 484 H ASP 63 H ASP 63 -11.638 9.050 -2.099 485 HA ASP 63 HA ASP 63 -10.685 6.832 -0.917 486 HB2 ASP 63 HB2 ASP 63 -13.142 6.874 0.035 487 HB3 ASP 63 HB3 ASP 63 -13.522 6.082 -1.489 488 H GLY 64 H GLY 64 -11.188 8.525 -3.471 489 HA2 GLY 64 HA3 GLY 64 -11.786 6.360 -5.372 490 HA3 GLY 64 HA2 GLY 64 -12.087 8.066 -5.677 491 H LEU 65 H LEU 65 -9.531 8.839 -4.492 492 HA LEU 65 HA LEU 65 -7.566 7.460 -6.162 493 HB2 LEU 65 HB2 LEU 65 -7.836 10.458 -5.878 494 HB3 LEU 65 HB3 LEU 65 -6.404 9.658 -6.508 495 HG LEU 65 HG LEU 65 -9.152 9.496 -7.752 496 HD11 LEU 65 HD11 LEU 65 -8.249 10.950 -9.487 497 HD12 LEU 65 HD12 LEU 65 -8.213 11.751 -7.916 498 HD13 LEU 65 HD13 LEU 65 -6.731 11.083 -8.599 499 HD21 LEU 65 HD21 LEU 65 -7.951 8.512 -9.649 500 HD22 LEU 65 HD22 LEU 65 -6.455 8.556 -8.715 501 HD23 LEU 65 HD23 LEU 65 -7.791 7.530 -8.191 502 H LEU 66 H LEU 66 -5.725 6.995 -5.084 503 HA LEU 66 HA LEU 66 -5.532 8.133 -2.368 504 HB2 LEU 66 HB2 LEU 66 -4.487 5.777 -1.867 505 HB3 LEU 66 HB3 LEU 66 -6.222 6.021 -1.824 506 HG LEU 66 HG LEU 66 -4.901 5.042 -4.333 507 HD11 LEU 66 HD11 LEU 66 -5.263 2.771 -3.636 508 HD12 LEU 66 HD12 LEU 66 -4.118 3.585 -2.561 509 HD13 LEU 66 HD13 LEU 66 -5.786 3.319 -2.032 510 HD21 LEU 66 HD21 LEU 66 -7.023 4.075 -4.819 511 HD22 LEU 66 HD22 LEU 66 -7.621 4.425 -3.189 512 HD23 LEU 66 HD23 LEU 66 -7.307 5.745 -4.317 513 H TYR 67 H TYR 67 -3.739 9.235 -2.097 514 HA TYR 67 HA TYR 67 -1.382 8.429 -3.673 515 HB2 TYR 67 HB2 TYR 67 -0.934 10.831 -4.163 516 HB3 TYR 67 HB3 TYR 67 -2.412 10.232 -4.904 517 HD1 TYR 67 HD1 TYR 67 -4.615 10.900 -4.006 518 HD2 TYR 67 HD2 TYR 67 -1.002 12.615 -2.551 519 HE1 TYR 67 HE1 TYR 67 -5.895 12.756 -3.037 520 HE2 TYR 67 HE2 TYR 67 -2.278 14.477 -1.569 521 HH TYR 67 HH TYR 67 -5.690 14.421 -1.286 522 H GLY 68 H GLY 68 0.640 8.864 -2.672 523 HA2 GLY 68 HA3 GLY 68 0.724 10.361 -0.236 524 HA3 GLY 68 HA2 GLY 68 0.744 8.637 0.051 525 H SER 69 H SER 69 2.777 10.743 0.542 526 HA SER 69 HA SER 69 4.876 8.918 -0.325 527 HB2 SER 69 HB2 SER 69 5.172 11.875 -0.715 528 HB3 SER 69 HB3 SER 69 6.363 10.640 -1.132 529 HG SER 69 HG SER 69 4.376 9.784 -2.399 530 H GLN 70 H GLN 70 4.441 11.842 1.714 531 HA GLN 70 HA GLN 70 7.140 11.445 2.680 532 HB2 GLN 70 HB2 GLN 70 6.351 13.644 2.008 533 HB3 GLN 70 HB3 GLN 70 5.171 13.629 3.311 534 HG2 GLN 70 HG2 GLN 70 6.993 13.526 4.943 535 HG3 GLN 70 HG3 GLN 70 8.161 13.583 3.622 536 HE21 GLN 70 HE21 GLN 70 8.459 15.501 2.498 537 HE22 GLN 70 HE22 GLN 70 7.888 17.021 3.102 538 H THR 71 H THR 71 3.965 11.226 4.202 539 HA THR 71 HA THR 71 5.267 10.833 6.847 540 HB THR 71 HB THR 71 2.703 12.391 6.566 541 HG1 THR 71 HG1 THR 71 5.347 13.475 6.379 542 HG21 THR 71 HG21 THR 71 3.508 13.503 8.604 543 HG22 THR 71 HG22 THR 71 4.974 12.525 8.556 544 HG23 THR 71 HG23 THR 71 3.410 11.755 8.820 545 HA PRO 72 HA PRO 72 1.350 8.415 6.946 546 HB2 PRO 72 HB2 PRO 72 1.521 7.093 9.240 547 HB3 PRO 72 HB3 PRO 72 2.641 6.757 7.909 548 HG2 PRO 72 HG2 PRO 72 3.191 8.066 10.490 549 HG3 PRO 72 HG3 PRO 72 4.332 7.383 9.322 550 HD2 PRO 72 HD2 PRO 72 3.471 10.175 9.652 551 HD3 PRO 72 HD3 PRO 72 4.844 9.528 8.723 552 H ASN 73 H ASN 73 -0.349 9.930 7.194 553 HA ASN 73 HA ASN 73 -1.034 10.763 9.927 554 HB2 ASN 73 HB2 ASN 73 -2.067 11.615 7.215 555 HB3 ASN 73 HB3 ASN 73 -2.949 11.979 8.696 556 HD21 ASN 73 HD21 ASN 73 -2.700 14.183 8.533 557 HD22 ASN 73 HD22 ASN 73 -1.168 14.975 8.737 558 H GLU 74 H GLU 74 -3.717 10.370 10.246 559 HA GLU 74 HA GLU 74 -3.959 7.812 8.835 560 HB2 GLU 74 HB2 GLU 74 -5.680 8.955 11.054 561 HB3 GLU 74 HB3 GLU 74 -5.951 7.406 10.270 562 HG2 GLU 74 HG2 GLU 74 -4.847 6.698 12.114 563 HG3 GLU 74 HG3 GLU 74 -3.473 6.967 11.047 564 H GLU 75 H GLU 75 -4.202 8.683 6.985 565 HA GLU 75 HA GLU 75 -7.048 8.797 6.330 566 HB2 GLU 75 HB2 GLU 75 -4.612 9.805 4.861 567 HB3 GLU 75 HB3 GLU 75 -6.171 9.584 4.070 568 HG2 GLU 75 HG2 GLU 75 -5.767 11.363 6.456 569 HG3 GLU 75 HG3 GLU 75 -5.649 11.929 4.788 570 H CYS 76 H CYS 76 -3.924 7.425 6.381 571 HA CYS 76 HA CYS 76 -4.250 5.589 4.221 572 HB2 CYS 76 HB2 CYS 76 -2.101 4.709 4.972 573 HB3 CYS 76 HB3 CYS 76 -2.061 6.472 4.987 574 HG CYS 76 HG CYS 76 -2.923 5.013 7.895 575 H LEU 77 H LEU 77 -5.916 5.552 7.002 576 HA LEU 77 HA LEU 77 -5.216 2.999 8.088 577 HB2 LEU 77 HB2 LEU 77 -7.573 4.810 8.584 578 HB3 LEU 77 HB3 LEU 77 -7.367 3.265 9.386 579 HG LEU 77 HG LEU 77 -5.634 5.715 9.651 580 HD11 LEU 77 HD11 LEU 77 -6.276 5.540 12.001 581 HD12 LEU 77 HD12 LEU 77 -7.690 5.701 10.959 582 HD13 LEU 77 HD13 LEU 77 -7.264 4.126 11.629 583 HD21 LEU 77 HD21 LEU 77 -5.167 2.943 10.751 584 HD22 LEU 77 HD22 LEU 77 -4.185 3.763 9.538 585 HD23 LEU 77 HD23 LEU 77 -4.253 4.388 11.186 586 H PHE 78 H PHE 78 -5.807 1.107 7.354 587 HA PHE 78 HA PHE 78 -8.235 0.953 5.768 588 HB2 PHE 78 HB2 PHE 78 -5.556 -0.306 5.154 589 HB3 PHE 78 HB3 PHE 78 -7.039 -0.642 4.283 590 HD1 PHE 78 HD2 PHE 78 -8.268 1.932 3.905 591 HD2 PHE 78 HD1 PHE 78 -4.148 0.880 3.760 592 HE1 PHE 78 HE2 PHE 78 -7.827 3.877 2.467 593 HE2 PHE 78 HE1 PHE 78 -3.700 2.827 2.322 594 HZ PHE 78 HZ PHE 78 -5.542 4.329 1.676 595 H LEU 79 H LEU 79 -9.063 -1.315 5.582 596 HA LEU 79 HA LEU 79 -8.718 -2.725 8.126 597 HB2 LEU 79 HB2 LEU 79 -11.011 -2.098 7.372 598 HB3 LEU 79 HB3 LEU 79 -10.801 -3.136 5.977 599 HG LEU 79 HG LEU 79 -10.472 -5.051 7.614 600 HD11 LEU 79 HD11 LEU 79 -10.003 -3.741 9.606 601 HD12 LEU 79 HD12 LEU 79 -11.608 -3.014 9.524 602 HD13 LEU 79 HD13 LEU 79 -11.437 -4.740 9.842 603 HD21 LEU 79 HD21 LEU 79 -13.128 -3.628 7.547 604 HD22 LEU 79 HD22 LEU 79 -12.515 -4.746 6.330 605 HD23 LEU 79 HD23 LEU 79 -12.881 -5.325 7.955 606 H GLU 80 H GLU 80 -7.963 -4.781 8.232 607 HA GLU 80 HA GLU 80 -6.500 -5.625 5.836 608 HB2 GLU 80 HB2 GLU 80 -5.245 -5.155 7.915 609 HB3 GLU 80 HB3 GLU 80 -6.137 -6.425 8.731 610 HG2 GLU 80 HG2 GLU 80 -4.632 -7.143 6.275 611 HG3 GLU 80 HG3 GLU 80 -3.717 -6.799 7.741 612 H ARG 81 H ARG 81 -7.080 -7.329 4.722 613 HA ARG 81 HA ARG 81 -8.789 -9.374 5.956 614 HB2 ARG 81 HB2 ARG 81 -10.185 -7.904 4.575 615 HB3 ARG 81 HB3 ARG 81 -9.117 -8.154 3.202 616 HG2 ARG 81 HG2 ARG 81 -11.106 -9.497 2.958 617 HG3 ARG 81 HG3 ARG 81 -9.706 -10.543 3.200 618 HD2 ARG 81 HD2 ARG 81 -11.551 -11.361 4.517 619 HD3 ARG 81 HD3 ARG 81 -10.304 -10.728 5.590 620 HE ARG 81 HE ARG 81 -12.628 -9.071 4.861 621 HH11 ARG 81 HH12 ARG 81 -10.638 -10.644 7.289 622 HH12 ARG 81 HH11 ARG 81 -11.502 -9.931 8.626 623 HH21 ARG 81 HH22 ARG 81 -13.735 -8.140 6.606 624 HH22 ARG 81 HH21 ARG 81 -13.272 -8.528 8.236 625 H LEU 82 H LEU 82 -8.136 -11.435 5.564 626 HA LEU 82 HA LEU 82 -5.751 -11.744 3.914 627 HB2 LEU 82 HB2 LEU 82 -6.955 -13.278 6.146 628 HB3 LEU 82 HB3 LEU 82 -6.023 -14.176 4.961 629 HG LEU 82 HG LEU 82 -5.041 -11.894 6.672 630 HD11 LEU 82 HD11 LEU 82 -3.545 -13.603 7.591 631 HD12 LEU 82 HD12 LEU 82 -5.241 -14.005 7.852 632 HD13 LEU 82 HD13 LEU 82 -4.330 -14.822 6.584 633 HD21 LEU 82 HD21 LEU 82 -3.615 -13.451 4.516 634 HD22 LEU 82 HD22 LEU 82 -4.044 -11.741 4.465 635 HD23 LEU 82 HD23 LEU 82 -2.853 -12.317 5.631 636 H GLU 83 H GLU 83 -5.791 -12.554 1.961 637 HA GLU 83 HA GLU 83 -8.067 -14.074 0.991 638 HB2 GLU 83 HB2 GLU 83 -6.940 -12.448 -0.493 639 HB3 GLU 83 HB3 GLU 83 -5.434 -13.335 -0.329 640 HG2 GLU 83 HG2 GLU 83 -6.585 -13.747 -2.464 641 HG3 GLU 83 HG3 GLU 83 -6.347 -15.213 -1.515 642 H GLU 84 H GLU 84 -7.664 -16.277 0.046 643 HA GLU 84 HA GLU 84 -6.300 -17.702 2.197 644 HB2 GLU 84 HB2 GLU 84 -8.717 -18.096 1.518 645 HB3 GLU 84 HB3 GLU 84 -8.091 -18.866 0.068 646 HG2 GLU 84 HG2 GLU 84 -6.992 -20.556 1.377 647 HG3 GLU 84 HG3 GLU 84 -7.457 -19.747 2.874 648 H ASN 85 H ASN 85 -5.589 -16.799 -0.939 649 HA ASN 85 HA ASN 85 -3.870 -19.115 -1.410 650 HB2 ASN 85 HB2 ASN 85 -4.369 -16.693 -3.160 651 HB3 ASN 85 HB3 ASN 85 -3.407 -18.097 -3.610 652 HD21 ASN 85 HD21 ASN 85 -4.452 -20.077 -3.989 653 HD22 ASN 85 HD22 ASN 85 -6.150 -20.145 -4.345 654 H HIS 86 H HIS 86 -3.354 -17.548 0.786 655 HA HIS 86 HA HIS 86 -1.820 -16.300 1.895 656 HB2 HIS 86 HB2 HIS 86 -0.265 -17.963 0.008 657 HB3 HIS 86 HB3 HIS 86 0.605 -16.637 0.778 658 HD1 HIS 86 HD1 HIS 86 1.882 -17.602 2.667 659 HD2 HIS 86 HD2 HIS 86 -1.950 -19.202 2.394 660 HE1 HIS 86 HE1 HIS 86 1.634 -19.123 4.657 661 HE2 HIS 86 HE2 HIS 86 -0.773 -19.879 4.595 662 H TYR 87 H TYR 87 -3.244 -14.691 0.386 663 HA TYR 87 HA TYR 87 -1.262 -12.657 -0.392 664 HB2 TYR 87 HB2 TYR 87 -3.942 -13.249 -1.662 665 HB3 TYR 87 HB3 TYR 87 -3.125 -11.705 -1.862 666 HD1 TYR 87 HD1 TYR 87 -0.682 -11.831 -2.796 667 HD2 TYR 87 HD2 TYR 87 -3.545 -14.955 -3.165 668 HE1 TYR 87 HE1 TYR 87 0.590 -12.766 -4.683 669 HE2 TYR 87 HE2 TYR 87 -2.286 -15.895 -5.054 670 HH TYR 87 HH TYR 87 -0.682 -15.122 -6.762 671 H ASN 88 H ASN 88 -1.789 -10.513 0.272 672 HA ASN 88 HA ASN 88 -3.828 -10.454 2.391 673 HB2 ASN 88 HB2 ASN 88 -1.402 -9.742 2.859 674 HB3 ASN 88 HB3 ASN 88 -1.774 -8.321 1.888 675 HD21 ASN 88 HD21 ASN 88 -2.498 -10.028 4.837 676 HD22 ASN 88 HD22 ASN 88 -3.298 -8.718 5.629 677 H THR 89 H THR 89 -5.340 -8.849 2.446 678 HA THR 89 HA THR 89 -5.724 -7.319 -0.031 679 HB THR 89 HB THR 89 -8.013 -8.517 1.535 680 HG1 THR 89 HG1 THR 89 -6.229 -9.773 -0.097 681 HG21 THR 89 HG21 THR 89 -7.782 -7.546 -1.320 682 HG22 THR 89 HG22 THR 89 -8.515 -6.644 0.006 683 HG23 THR 89 HG23 THR 89 -9.248 -8.152 -0.545 684 H TYR 90 H TYR 90 -6.972 -5.345 0.296 685 HA TYR 90 HA TYR 90 -7.155 -4.500 3.095 686 HB2 TYR 90 HB2 TYR 90 -5.852 -2.935 0.860 687 HB3 TYR 90 HB3 TYR 90 -6.266 -2.255 2.427 688 HD1 TYR 90 HD1 TYR 90 -5.303 -3.776 4.465 689 HD2 TYR 90 HD2 TYR 90 -3.655 -3.505 0.555 690 HE1 TYR 90 HE1 TYR 90 -3.111 -4.460 5.346 691 HE2 TYR 90 HE2 TYR 90 -1.462 -4.190 1.425 692 HH TYR 90 HH TYR 90 -1.044 -5.505 4.513 693 H ILE 91 H ILE 91 -9.008 -3.490 3.568 694 HA ILE 91 HA ILE 91 -10.656 -2.498 1.342 695 HB ILE 91 HB ILE 91 -11.393 -3.966 3.607 696 HG12 ILE 91 HG12 ILE 91 -13.710 -3.525 2.797 697 HG13 ILE 91 HG13 ILE 91 -13.057 -2.282 1.734 698 HG21 ILE 91 HG21 ILE 91 -12.346 -1.121 3.911 699 HG22 ILE 91 HG22 ILE 91 -12.945 -2.509 4.820 700 HG23 ILE 91 HG23 ILE 91 -11.272 -1.983 5.013 701 HD11 ILE 91 HD11 ILE 91 -13.466 -4.356 0.536 702 HD12 ILE 91 HD12 ILE 91 -11.745 -3.971 0.565 703 HD13 ILE 91 HD13 ILE 91 -12.389 -5.214 1.638 704 H SER 92 H SER 92 -11.505 -0.337 1.469 705 HA SER 92 HA SER 92 -9.517 1.409 2.678 706 HB2 SER 92 HB2 SER 92 -10.890 3.150 1.340 707 HB3 SER 92 HB3 SER 92 -9.906 1.991 0.446 708 HG SER 92 HG SER 92 -12.263 2.394 -0.134 709 H LYS 93 H LYS 93 -9.864 1.876 4.718 710 HA LYS 93 HA LYS 93 -12.431 1.504 5.897 711 HB2 LYS 93 HB2 LYS 93 -9.870 1.410 6.826 712 HB3 LYS 93 HB3 LYS 93 -10.385 2.974 7.439 713 HG2 LYS 93 HG2 LYS 93 -12.474 1.612 8.234 714 HG3 LYS 93 HG3 LYS 93 -11.352 0.247 8.117 715 HD2 LYS 93 HD2 LYS 93 -10.858 2.775 9.703 716 HD3 LYS 93 HD3 LYS 93 -11.419 1.247 10.380 717 HE2 LYS 93 HE2 LYS 93 -8.824 1.601 8.889 718 HE3 LYS 93 HE3 LYS 93 -8.974 1.642 10.646 719 HZ1 LYS 93 HZ1 LYS 93 -8.286 -0.535 9.753 720 HZ2 LYS 93 HZ2 LYS 93 -9.775 -0.666 8.966 721 HZ3 LYS 93 HZ3 LYS 93 -9.715 -0.610 10.656 722 H LYS 94 H LYS 94 -11.104 4.002 4.198 723 HA LYS 94 HA LYS 94 -12.185 6.253 5.542 724 HB2 LYS 94 HB2 LYS 94 -10.405 6.245 3.674 725 HB3 LYS 94 HB3 LYS 94 -11.743 6.053 2.553 726 HG2 LYS 94 HG2 LYS 94 -11.211 8.344 2.586 727 HG3 LYS 94 HG3 LYS 94 -12.716 8.157 3.493 728 HD2 LYS 94 HD2 LYS 94 -11.493 8.248 5.595 729 HD3 LYS 94 HD3 LYS 94 -9.968 8.377 4.717 730 HE2 LYS 94 HE2 LYS 94 -12.224 10.361 4.490 731 HE3 LYS 94 HE3 LYS 94 -10.858 10.543 5.590 732 HZ1 LYS 94 HZ1 LYS 94 -10.285 10.080 2.757 733 HZ2 LYS 94 HZ2 LYS 94 -9.429 10.998 3.898 734 HZ3 LYS 94 HZ3 LYS 94 -10.854 11.607 3.210 735 H HIS 95 H HIS 95 -13.230 4.972 2.384 736 HA HIS 95 HA HIS 95 -15.984 5.164 3.320 737 HB2 HIS 95 HB2 HIS 95 -14.775 4.847 0.610 738 HB3 HIS 95 HB3 HIS 95 -16.453 4.368 0.878 739 HD1 HIS 95 HD1 HIS 95 -14.200 7.374 1.145 740 HD2 HIS 95 HD2 HIS 95 -18.244 6.442 1.002 741 HE1 HIS 95 HE1 HIS 95 -15.385 9.563 1.076 742 HE2 HIS 95 HE2 HIS 95 -17.837 8.997 0.856 743 H ALA 96 H ALA 96 -14.654 3.249 4.711 744 HA ALA 96 HA ALA 96 -14.847 0.642 3.743 745 HB1 ALA 96 HB1 ALA 96 -13.807 1.225 5.892 746 HB2 ALA 96 HB2 ALA 96 -15.403 1.563 6.564 747 HB3 ALA 96 HB3 ALA 96 -14.986 -0.076 6.063 748 H GLU 97 H GLU 97 -17.297 2.746 5.086 749 HA GLU 97 HA GLU 97 -19.329 0.792 5.353 750 HB2 GLU 97 HB2 GLU 97 -19.265 2.901 6.618 751 HB3 GLU 97 HB3 GLU 97 -19.530 3.797 5.131 752 HG2 GLU 97 HG2 GLU 97 -21.728 2.865 4.899 753 HG3 GLU 97 HG3 GLU 97 -21.463 1.802 6.283 754 H LYS 98 H LYS 98 -18.149 2.625 2.660 755 HA LYS 98 HA LYS 98 -20.602 2.231 1.140 756 HB2 LYS 98 HB2 LYS 98 -19.292 4.336 0.943 757 HB3 LYS 98 HB3 LYS 98 -17.951 3.417 0.276 758 HG2 LYS 98 HG2 LYS 98 -19.172 4.525 -1.489 759 HG3 LYS 98 HG3 LYS 98 -19.354 2.777 -1.633 760 HD2 LYS 98 HD2 LYS 98 -21.488 3.820 -2.030 761 HD3 LYS 98 HD3 LYS 98 -21.550 2.961 -0.490 762 HE2 LYS 98 HE2 LYS 98 -22.620 5.114 -0.261 763 HE3 LYS 98 HE3 LYS 98 -21.131 5.091 0.682 764 HZ1 LYS 98 HZ1 LYS 98 -21.416 6.289 -2.025 765 HZ2 LYS 98 HZ2 LYS 98 -20.028 6.327 -1.057 766 HZ3 LYS 98 HZ3 LYS 98 -21.420 7.158 -0.568 767 H ASN 99 H ASN 99 -17.929 0.419 1.925 768 HA ASN 99 HA ASN 99 -17.491 -1.745 1.406 769 HB2 ASN 99 HB2 ASN 99 -19.577 -1.440 -0.765 770 HB3 ASN 99 HB3 ASN 99 -18.755 -2.944 -0.368 771 HD21 ASN 99 HD21 ASN 99 -21.215 -0.713 0.518 772 HD22 ASN 99 HD22 ASN 99 -21.858 -1.617 1.845 773 H TRP 100 H TRP 100 -16.311 0.721 0.099 774 HA TRP 100 HA TRP 100 -15.394 -0.183 -2.461 775 HB2 TRP 100 HB2 TRP 100 -14.791 2.156 -0.689 776 HB3 TRP 100 HB3 TRP 100 -13.762 1.808 -2.071 777 HD1 TRP 100 HD1 TRP 100 -17.302 1.008 -2.922 778 HE1 TRP 100 HE1 TRP 100 -18.304 2.916 -4.352 779 HE3 TRP 100 HE3 TRP 100 -13.699 4.496 -2.188 780 HZ2 TRP 100 HZ2 TRP 100 -17.612 5.591 -5.057 781 HZ3 TRP 100 HZ3 TRP 100 -13.911 6.702 -3.253 782 HH2 TRP 100 HH2 TRP 100 -15.815 7.246 -4.648 783 H PHE 101 H PHE 101 -13.052 -0.330 -2.946 784 HA PHE 101 HA PHE 101 -11.644 -1.778 -0.797 785 HB2 PHE 101 HB2 PHE 101 -11.313 -2.046 -3.802 786 HB3 PHE 101 HB3 PHE 101 -10.421 -2.949 -2.589 787 HD1 PHE 101 HD1 PHE 101 -13.835 -2.379 -3.916 788 HD2 PHE 101 HD2 PHE 101 -11.216 -4.999 -1.825 789 HE1 PHE 101 HE1 PHE 101 -15.559 -4.132 -3.959 790 HE2 PHE 101 HE2 PHE 101 -12.933 -6.758 -1.867 791 HZ PHE 101 HZ PHE 101 -15.043 -6.383 -3.058 792 H VAL 102 H VAL 102 -9.540 -1.067 -0.323 793 HA VAL 102 HA VAL 102 -8.611 1.214 -1.875 794 HB VAL 102 HB VAL 102 -8.255 1.513 0.472 795 HG11 VAL 102 HG11 VAL 102 -8.339 -0.796 1.199 796 HG12 VAL 102 HG12 VAL 102 -6.770 -1.103 0.452 797 HG13 VAL 102 HG13 VAL 102 -6.893 0.001 1.820 798 HG21 VAL 102 HG21 VAL 102 -5.824 1.801 0.577 799 HG22 VAL 102 HG22 VAL 102 -5.647 0.795 -0.860 800 HG23 VAL 102 HG23 VAL 102 -6.483 2.344 -0.966 801 H GLY 103 H GLY 103 -7.562 0.856 -3.633 802 HA2 GLY 103 HA3 GLY 103 -5.771 -1.460 -3.804 803 HA3 GLY 103 HA2 GLY 103 -6.965 -1.179 -5.062 804 H LEU 104 H LEU 104 -4.336 -1.321 -5.661 805 HA LEU 104 HA LEU 104 -3.546 1.522 -6.053 806 HB2 LEU 104 HB2 LEU 104 -1.183 0.550 -5.842 807 HB3 LEU 104 HB3 LEU 104 -2.114 0.811 -4.387 808 HG LEU 104 HG LEU 104 -2.647 -1.654 -4.406 809 HD11 LEU 104 HD11 LEU 104 -2.097 -2.080 -6.770 810 HD12 LEU 104 HD12 LEU 104 -0.406 -1.725 -6.420 811 HD13 LEU 104 HD13 LEU 104 -1.189 -3.114 -5.665 812 HD21 LEU 104 HD21 LEU 104 0.221 -0.772 -4.214 813 HD22 LEU 104 HD22 LEU 104 -1.006 -0.625 -2.949 814 HD23 LEU 104 HD23 LEU 104 -0.470 -2.221 -3.472 815 H LYS 105 H LYS 105 -2.287 1.929 -8.124 816 HA LYS 105 HA LYS 105 -1.807 -0.685 -9.480 817 HB2 LYS 105 HB2 LYS 105 -1.799 2.155 -10.429 818 HB3 LYS 105 HB3 LYS 105 -0.767 0.999 -11.247 819 HG2 LYS 105 HG2 LYS 105 -2.916 1.347 -12.372 820 HG3 LYS 105 HG3 LYS 105 -2.667 -0.328 -11.877 821 HD2 LYS 105 HD2 LYS 105 -4.227 -0.173 -10.153 822 HD3 LYS 105 HD3 LYS 105 -4.187 1.593 -10.148 823 HE2 LYS 105 HE2 LYS 105 -6.239 0.487 -11.173 824 HE3 LYS 105 HE3 LYS 105 -5.442 1.734 -12.129 825 HZ1 LYS 105 HZ1 LYS 105 -5.030 -1.184 -12.477 826 HZ2 LYS 105 HZ2 LYS 105 -4.364 0.041 -13.435 827 HZ3 LYS 105 HZ3 LYS 105 -6.037 -0.228 -13.446 828 H LYS 106 H LYS 106 -0.126 -1.445 -8.108 829 HA LYS 106 HA LYS 106 2.177 0.234 -7.784 830 HB2 LYS 106 HB2 LYS 106 3.185 -1.495 -6.592 831 HB3 LYS 106 HB3 LYS 106 1.470 -1.655 -6.201 832 HG2 LYS 106 HG2 LYS 106 1.448 -3.732 -6.951 833 HG3 LYS 106 HG3 LYS 106 1.988 -3.181 -8.537 834 HD2 LYS 106 HD2 LYS 106 4.332 -3.181 -7.579 835 HD3 LYS 106 HD3 LYS 106 3.657 -4.071 -6.210 836 HE2 LYS 106 HE2 LYS 106 2.711 -5.677 -7.962 837 HE3 LYS 106 HE3 LYS 106 3.826 -4.907 -9.094 838 HZ1 LYS 106 HZ1 LYS 106 4.514 -6.352 -6.603 839 HZ2 LYS 106 HZ2 LYS 106 5.630 -5.451 -7.501 840 HZ3 LYS 106 HZ3 LYS 106 4.881 -6.813 -8.189 841 H ASN 107 H ASN 107 1.034 -2.167 -10.036 842 HA ASN 107 HA ASN 107 3.622 -2.493 -11.198 843 HB2 ASN 107 HB2 ASN 107 2.433 -3.653 -13.007 844 HB3 ASN 107 HB3 ASN 107 1.831 -4.196 -11.443 845 HD21 ASN 107 HD21 ASN 107 1.070 -2.634 -14.411 846 HD22 ASN 107 HD22 ASN 107 -0.622 -2.416 -14.110 847 H GLY 108 H GLY 108 1.339 -0.041 -11.077 848 HA2 GLY 108 HA3 GLY 108 2.393 1.178 -13.541 849 HA3 GLY 108 HA2 GLY 108 0.702 1.306 -13.094 850 H SER 109 H SER 109 0.231 2.334 -11.078 851 HA SER 109 HA SER 109 1.680 4.826 -10.912 852 HB2 SER 109 HB2 SER 109 -0.452 5.979 -11.841 853 HB3 SER 109 HB3 SER 109 0.679 5.266 -12.990 854 HG SER 109 HG SER 109 -0.679 3.596 -13.326 855 H CYS 110 H CYS 110 -0.031 6.452 -9.793 856 HA CYS 110 HA CYS 110 -0.308 5.025 -7.319 857 HB2 CYS 110 HB2 CYS 110 0.729 7.302 -7.618 858 HB3 CYS 110 HB3 CYS 110 -0.893 7.942 -7.871 859 HG CYS 110 HG CYS 110 -1.807 7.359 -5.310 860 H LYS 111 H LYS 111 -2.281 5.278 -5.950 861 HA LYS 111 HA LYS 111 -3.609 3.439 -7.559 862 HB2 LYS 111 HB2 LYS 111 -4.144 3.844 -4.686 863 HB3 LYS 111 HB3 LYS 111 -3.833 2.364 -5.577 864 HG2 LYS 111 HG2 LYS 111 -1.813 4.391 -4.620 865 HG3 LYS 111 HG3 LYS 111 -1.998 2.722 -4.089 866 HD2 LYS 111 HD2 LYS 111 -1.440 2.048 -6.477 867 HD3 LYS 111 HD3 LYS 111 -0.971 3.726 -6.752 868 HE2 LYS 111 HE2 LYS 111 0.583 3.467 -4.775 869 HE3 LYS 111 HE3 LYS 111 0.243 1.737 -4.849 870 HZ1 LYS 111 HZ1 LYS 111 1.544 3.428 -6.896 871 HZ2 LYS 111 HZ2 LYS 111 0.970 1.873 -7.242 872 HZ3 LYS 111 HZ3 LYS 111 2.192 2.090 -6.087 873 H ARG 112 H ARG 112 -5.873 3.083 -7.458 874 HA ARG 112 HA ARG 112 -7.336 5.518 -7.315 875 HB2 ARG 112 HB2 ARG 112 -8.067 4.976 -9.825 876 HB3 ARG 112 HB3 ARG 112 -6.751 6.067 -9.412 877 HG2 ARG 112 HG2 ARG 112 -5.207 4.107 -9.589 878 HG3 ARG 112 HG3 ARG 112 -6.562 3.197 -10.277 879 HD2 ARG 112 HD2 ARG 112 -5.180 5.626 -11.392 880 HD3 ARG 112 HD3 ARG 112 -5.351 4.034 -12.127 881 HE ARG 112 HE ARG 112 -7.639 5.855 -11.704 882 HH11 ARG 112 HH12 ARG 112 -5.779 3.696 -13.741 883 HH12 ARG 112 HH11 ARG 112 -6.921 3.761 -15.053 884 HH21 ARG 112 HH22 ARG 112 -9.127 5.935 -13.413 885 HH22 ARG 112 HH21 ARG 112 -8.847 5.005 -14.852 886 H GLY 113 H GLY 113 -9.451 5.296 -6.972 887 HA2 GLY 113 HA3 GLY 113 -10.440 2.766 -6.146 888 HA3 GLY 113 HA2 GLY 113 -11.343 4.270 -6.237 889 HA PRO 114 HA PRO 114 -13.213 3.382 -10.354 890 HB2 PRO 114 HB2 PRO 114 -11.037 3.296 -12.219 891 HB3 PRO 114 HB3 PRO 114 -12.297 4.520 -12.059 892 HG2 PRO 114 HG2 PRO 114 -9.543 4.502 -10.998 893 HG3 PRO 114 HG3 PRO 114 -10.592 5.876 -11.385 894 HD2 PRO 114 HD2 PRO 114 -10.050 5.211 -8.852 895 HD3 PRO 114 HD3 PRO 114 -11.660 5.798 -9.323 896 H ARG 115 H ARG 115 -10.174 1.633 -9.696 897 HA ARG 115 HA ARG 115 -11.481 -0.749 -10.785 898 HB2 ARG 115 HB2 ARG 115 -8.611 0.091 -11.185 899 HB3 ARG 115 HB3 ARG 115 -9.177 -1.550 -11.466 900 HG2 ARG 115 HG2 ARG 115 -10.103 0.937 -12.894 901 HG3 ARG 115 HG3 ARG 115 -9.086 -0.346 -13.552 902 HD2 ARG 115 HD2 ARG 115 -10.915 -1.942 -13.284 903 HD3 ARG 115 HD3 ARG 115 -11.929 -0.674 -12.601 904 HE ARG 115 HE ARG 115 -10.993 -0.761 -15.399 905 HH11 ARG 115 HH12 ARG 115 -13.267 0.303 -12.956 906 HH12 ARG 115 HH11 ARG 115 -14.418 0.913 -14.109 907 HH21 ARG 115 HH22 ARG 115 -12.477 0.061 -16.913 908 HH22 ARG 115 HH21 ARG 115 -13.949 0.809 -16.367 909 H THR 116 H THR 116 -10.812 0.567 -8.043 910 HA THR 116 HA THR 116 -9.485 -1.601 -6.722 911 HB THR 116 HB THR 116 -10.145 -0.488 -4.645 912 HG1 THR 116 HG1 THR 116 -11.249 1.478 -4.724 913 HG21 THR 116 HG21 THR 116 -8.891 1.360 -6.681 914 HG22 THR 116 HG22 THR 116 -8.044 0.157 -5.713 915 HG23 THR 116 HG23 THR 116 -8.784 1.554 -4.933 916 H HIS 117 H HIS 117 -10.464 -3.386 -6.921 917 HA HIS 117 HA HIS 117 -12.829 -4.407 -6.022 918 HB2 HIS 117 HB2 HIS 117 -13.246 -2.606 -8.300 919 HB3 HIS 117 HB3 HIS 117 -13.690 -4.256 -8.710 920 HD1 HIS 117 HD1 HIS 117 -15.857 -5.164 -7.744 921 HD2 HIS 117 HD2 HIS 117 -14.834 -1.415 -6.262 922 HE1 HIS 117 HE1 HIS 117 -17.881 -4.348 -6.496 923 HE2 HIS 117 HE2 HIS 117 -17.166 -2.172 -5.445 924 H TYR 118 H TYR 118 -13.286 -6.475 -7.801 925 HA TYR 118 HA TYR 118 -10.537 -7.140 -8.501 926 HB2 TYR 118 HB2 TYR 118 -12.629 -8.730 -7.785 927 HB3 TYR 118 HB3 TYR 118 -12.723 -8.855 -9.541 928 HD1 TYR 118 HD1 TYR 118 -10.590 -9.500 -6.597 929 HD2 TYR 118 HD2 TYR 118 -11.078 -10.038 -10.788 930 HE1 TYR 118 HE1 TYR 118 -8.793 -11.181 -6.589 931 HE2 TYR 118 HE2 TYR 118 -9.279 -11.710 -10.793 932 HH TYR 118 HH TYR 118 -7.344 -12.339 -9.465 933 H GLY 119 H GLY 119 -10.331 -5.333 -9.724 934 HA2 GLY 119 HA3 GLY 119 -11.240 -5.576 -12.509 935 HA3 GLY 119 HA2 GLY 119 -10.671 -4.076 -11.759 936 H GLN 120 H GLN 120 -8.672 -5.464 -10.258 937 HA GLN 120 HA GLN 120 -6.642 -5.946 -12.304 938 HB2 GLN 120 HB2 GLN 120 -7.057 -3.462 -10.785 939 HB3 GLN 120 HB3 GLN 120 -5.438 -4.143 -10.551 940 HG2 GLN 120 HG2 GLN 120 -6.660 -3.663 -13.256 941 HG3 GLN 120 HG3 GLN 120 -5.646 -2.492 -12.413 942 HE21 GLN 120 HE21 GLN 120 -3.868 -4.456 -11.277 943 HE22 GLN 120 HE22 GLN 120 -2.884 -5.038 -12.570 944 H LYS 121 H LYS 121 -4.847 -7.085 -11.527 945 HA LYS 121 HA LYS 121 -5.211 -8.547 -9.086 946 HB2 LYS 121 HB2 LYS 121 -2.793 -8.422 -10.916 947 HB3 LYS 121 HB3 LYS 121 -3.017 -9.564 -9.604 948 HG2 LYS 121 HG2 LYS 121 -4.904 -9.396 -11.932 949 HG3 LYS 121 HG3 LYS 121 -3.479 -10.438 -11.914 950 HD2 LYS 121 HD2 LYS 121 -4.352 -11.491 -9.834 951 HD3 LYS 121 HD3 LYS 121 -5.820 -10.527 -10.010 952 HE2 LYS 121 HE2 LYS 121 -6.262 -11.574 -12.165 953 HE3 LYS 121 HE3 LYS 121 -4.771 -12.508 -12.031 954 HZ1 LYS 121 HZ1 LYS 121 -6.939 -13.639 -11.395 955 HZ2 LYS 121 HZ2 LYS 121 -6.900 -12.697 -9.986 956 HZ3 LYS 121 HZ3 LYS 121 -5.643 -13.791 -10.312 957 H ALA 122 H ALA 122 -4.461 -5.519 -9.456 958 HA ALA 122 HA ALA 122 -2.212 -5.305 -7.661 959 HB1 ALA 122 HB1 ALA 122 -3.982 -3.199 -8.888 960 HB2 ALA 122 HB2 ALA 122 -2.505 -2.897 -7.970 961 HB3 ALA 122 HB3 ALA 122 -2.426 -3.747 -9.513 962 H ILE 123 H ILE 123 -5.355 -6.032 -7.345 963 HA ILE 123 HA ILE 123 -5.692 -4.829 -4.716 964 HB ILE 123 HB ILE 123 -7.457 -6.864 -6.101 965 HG12 ILE 123 HG12 ILE 123 -7.232 -4.852 -7.488 966 HG13 ILE 123 HG13 ILE 123 -8.848 -4.969 -6.803 967 HG21 ILE 123 HG21 ILE 123 -9.204 -6.002 -4.593 968 HG22 ILE 123 HG22 ILE 123 -7.851 -6.696 -3.700 969 HG23 ILE 123 HG23 ILE 123 -8.014 -4.945 -3.835 970 HD11 ILE 123 HD11 ILE 123 -8.229 -3.327 -5.098 971 HD12 ILE 123 HD12 ILE 123 -6.627 -3.195 -5.823 972 HD13 ILE 123 HD13 ILE 123 -8.051 -2.693 -6.733 973 H LEU 124 H LEU 124 -3.927 -7.280 -5.996 974 HA LEU 124 HA LEU 124 -4.189 -9.006 -3.632 975 HB2 LEU 124 HB2 LEU 124 -2.878 -9.429 -6.316 976 HB3 LEU 124 HB3 LEU 124 -2.554 -10.478 -4.952 977 HG LEU 124 HG LEU 124 -5.032 -10.974 -4.870 978 HD11 LEU 124 HD11 LEU 124 -5.002 -9.633 -7.569 979 HD12 LEU 124 HD12 LEU 124 -6.342 -10.549 -6.879 980 HD13 LEU 124 HD13 LEU 124 -5.825 -9.038 -6.128 981 HD21 LEU 124 HD21 LEU 124 -3.521 -11.718 -7.367 982 HD22 LEU 124 HD22 LEU 124 -3.425 -12.533 -5.806 983 HD23 LEU 124 HD23 LEU 124 -4.930 -12.563 -6.726 984 H PHE 125 H PHE 125 -3.023 -8.178 -2.017 985 HA PHE 125 HA PHE 125 -0.659 -6.606 -2.667 986 HB2 PHE 125 HB2 PHE 125 -2.155 -6.824 -0.050 987 HB3 PHE 125 HB3 PHE 125 -0.939 -5.634 -0.474 988 HD1 PHE 125 HD2 PHE 125 -1.455 -3.844 -2.073 989 HD2 PHE 125 HD1 PHE 125 -4.425 -6.590 -0.761 990 HE1 PHE 125 HE2 PHE 125 -3.210 -2.338 -2.902 991 HE2 PHE 125 HE1 PHE 125 -6.187 -5.091 -1.594 992 HZ PHE 125 HZ PHE 125 -5.599 -2.961 -2.627 993 H LEU 126 H LEU 126 1.354 -7.019 -1.960 994 HA LEU 126 HA LEU 126 1.705 -9.047 0.131 995 HB2 LEU 126 HB2 LEU 126 2.162 -10.090 -2.076 996 HB3 LEU 126 HB3 LEU 126 3.377 -8.865 -2.382 997 HG LEU 126 HG LEU 126 4.666 -9.705 -0.431 998 HD11 LEU 126 HD11 LEU 126 2.799 -10.678 0.820 999 HD12 LEU 126 HD12 LEU 126 2.612 -11.914 -0.424 1000 HD13 LEU 126 HD13 LEU 126 4.082 -11.856 0.549 1001 HD21 LEU 126 HD21 LEU 126 5.205 -10.455 -2.681 1002 HD22 LEU 126 HD22 LEU 126 5.441 -11.761 -1.519 1003 HD23 LEU 126 HD23 LEU 126 4.012 -11.747 -2.552 1004 HA PRO 127 HA PRO 127 4.442 -5.698 1.339 1005 HB2 PRO 127 HB2 PRO 127 3.792 -5.827 3.963 1006 HB3 PRO 127 HB3 PRO 127 2.721 -5.101 2.761 1007 HG2 PRO 127 HG2 PRO 127 2.372 -7.573 4.267 1008 HG3 PRO 127 HG3 PRO 127 1.199 -6.709 3.265 1009 HD2 PRO 127 HD2 PRO 127 2.894 -9.016 2.581 1010 HD3 PRO 127 HD3 PRO 127 1.438 -8.407 1.763 1011 H LEU 128 H LEU 128 6.569 -6.320 1.275 1012 HA LEU 128 HA LEU 128 7.408 -8.322 3.267 1013 HB2 LEU 128 HB2 LEU 128 9.243 -8.955 1.648 1014 HB3 LEU 128 HB3 LEU 128 7.625 -9.484 1.237 1015 HG LEU 128 HG LEU 128 8.673 -6.952 0.034 1016 HD11 LEU 128 HD11 LEU 128 10.464 -8.588 -0.289 1017 HD12 LEU 128 HD12 LEU 128 9.300 -9.740 -0.942 1018 HD13 LEU 128 HD13 LEU 128 9.637 -8.239 -1.807 1019 HD21 LEU 128 HD21 LEU 128 7.232 -7.642 -1.812 1020 HD22 LEU 128 HD22 LEU 128 6.856 -9.146 -0.968 1021 HD23 LEU 128 HD23 LEU 128 6.329 -7.603 -0.297 1022 HA PRO 129 HA PRO 129 9.800 -4.996 4.659 1023 HB2 PRO 129 HB2 PRO 129 11.107 -6.179 6.652 1024 HB3 PRO 129 HB3 PRO 129 9.339 -6.076 6.654 1025 HG2 PRO 129 HG2 PRO 129 11.092 -8.393 5.933 1026 HG3 PRO 129 HG3 PRO 129 9.607 -8.372 6.903 1027 HD2 PRO 129 HD2 PRO 129 9.728 -9.045 4.223 1028 HD3 PRO 129 HD3 PRO 129 8.269 -8.473 5.058 1029 H VAL 130 H VAL 130 12.029 -4.258 5.114 1030 HA VAL 130 HA VAL 130 13.518 -4.935 2.720 1031 HB VAL 130 HB VAL 130 14.388 -2.998 4.853 1032 HG11 VAL 130 HG11 VAL 130 15.080 -3.188 1.932 1033 HG12 VAL 130 HG12 VAL 130 15.638 -1.937 3.042 1034 HG13 VAL 130 HG13 VAL 130 16.132 -3.613 3.281 1035 HG21 VAL 130 HG21 VAL 130 12.142 -2.399 4.095 1036 HG22 VAL 130 HG22 VAL 130 13.336 -1.233 3.524 1037 HG23 VAL 130 HG23 VAL 130 12.693 -2.449 2.421 1038 H SER 131 H SER 131 15.601 -5.647 2.581 1039 HA SER 131 HA SER 131 16.320 -7.623 4.523 1040 HB2 SER 131 HB2 SER 131 17.892 -6.713 2.100 1041 HB3 SER 131 HB3 SER 131 18.051 -8.246 2.957 1042 HG SER 131 HG SER 131 16.277 -8.990 2.026 1043 H SER 132 H SER 132 17.588 -7.301 6.227 1044 HA SER 132 HA SER 132 19.665 -5.240 6.061 1045 HB2 SER 132 HB2 SER 132 17.662 -4.485 7.449 1046 HB3 SER 132 HB3 SER 132 18.091 -5.756 8.591 1047 HG SER 132 HG SER 132 20.313 -4.616 8.367 1048 H ASP 133 H ASP 133 21.124 -6.851 5.599 1049 HA ASP 133 HA ASP 133 21.838 -8.516 7.912 1050 HB2 ASP 133 HB2 ASP 133 20.929 -9.957 6.147 1051 HB3 ASP 133 HB3 ASP 133 22.072 -9.278 4.990 Start of MODEL 11 1 H1 TYR 1 H1 TYR 1 16.465 -7.634 7.784 2 H2 TYR 1 H2 TYR 1 17.989 -7.540 7.055 3 H3 TYR 1 H3 TYR 1 16.622 -6.949 6.245 4 HA TYR 1 HA TYR 1 17.662 -5.887 8.776 5 HB2 TYR 1 HB2 TYR 1 19.141 -5.526 6.732 6 HB3 TYR 1 HB3 TYR 1 17.812 -4.613 6.032 7 HD1 TYR 1 HD2 TYR 1 20.057 -4.694 9.010 8 HD2 TYR 1 HD1 TYR 1 17.638 -2.324 6.434 9 HE1 TYR 1 HE2 TYR 1 20.871 -2.662 10.126 10 HE2 TYR 1 HE1 TYR 1 18.448 -0.285 7.543 11 HH TYR 1 HH TYR 1 19.426 0.381 9.707 12 H LYS 2 H LYS 2 15.111 -6.625 8.772 13 HA LYS 2 HA LYS 2 13.555 -4.808 7.127 14 HB2 LYS 2 HB2 LYS 2 11.689 -6.372 7.598 15 HB3 LYS 2 HB3 LYS 2 13.069 -7.105 6.799 16 HG2 LYS 2 HG2 LYS 2 13.807 -7.962 9.030 17 HG3 LYS 2 HG3 LYS 2 12.277 -7.375 9.690 18 HD2 LYS 2 HD2 LYS 2 11.063 -8.778 8.074 19 HD3 LYS 2 HD3 LYS 2 12.602 -9.387 7.463 20 HE2 LYS 2 HE2 LYS 2 13.099 -10.290 9.703 21 HE3 LYS 2 HE3 LYS 2 11.519 -9.734 10.257 22 HZ1 LYS 2 HZ1 LYS 2 12.056 -11.776 8.167 23 HZ2 LYS 2 HZ2 LYS 2 10.518 -11.159 8.512 24 HZ3 LYS 2 HZ3 LYS 2 11.360 -12.033 9.692 25 H LYS 3 H LYS 3 12.147 -3.461 7.735 26 HA LYS 3 HA LYS 3 10.818 -3.417 10.273 27 HB2 LYS 3 HB2 LYS 3 12.435 -1.008 9.400 28 HB3 LYS 3 HB3 LYS 3 11.323 -1.046 10.756 29 HG2 LYS 3 HG2 LYS 3 12.808 -2.582 11.931 30 HG3 LYS 3 HG3 LYS 3 13.917 -2.561 10.555 31 HD2 LYS 3 HD2 LYS 3 14.049 -0.065 10.834 32 HD3 LYS 3 HD3 LYS 3 13.156 -0.256 12.343 33 HE2 LYS 3 HE2 LYS 3 14.929 -1.706 13.203 34 HE3 LYS 3 HE3 LYS 3 15.820 -1.510 11.693 35 HZ1 LYS 3 HZ1 LYS 3 15.834 0.920 12.161 36 HZ2 LYS 3 HZ2 LYS 3 16.723 -0.004 13.267 37 HZ3 LYS 3 HZ3 LYS 3 15.194 0.587 13.696 38 HA PRO 4 HA PRO 4 8.748 -0.921 6.853 39 HB2 PRO 4 HB2 PRO 4 10.125 0.167 4.841 40 HB3 PRO 4 HB3 PRO 4 10.043 0.949 6.422 41 HG2 PRO 4 HG2 PRO 4 12.271 -0.558 5.170 42 HG3 PRO 4 HG3 PRO 4 12.324 0.807 6.297 43 HD2 PRO 4 HD2 PRO 4 12.638 -1.922 6.927 44 HD3 PRO 4 HD3 PRO 4 12.437 -0.583 8.071 45 H LYS 5 H LYS 5 7.681 -1.883 5.269 46 HA LYS 5 HA LYS 5 8.935 -4.147 3.922 47 HB2 LYS 5 HB2 LYS 5 6.019 -3.374 4.173 48 HB3 LYS 5 HB3 LYS 5 6.624 -4.848 3.429 49 HG2 LYS 5 HG2 LYS 5 7.521 -5.588 5.557 50 HG3 LYS 5 HG3 LYS 5 7.010 -4.081 6.318 51 HD2 LYS 5 HD2 LYS 5 4.673 -4.634 5.835 52 HD3 LYS 5 HD3 LYS 5 5.188 -6.141 5.076 53 HE2 LYS 5 HE2 LYS 5 6.155 -6.874 7.211 54 HE3 LYS 5 HE3 LYS 5 5.616 -5.374 7.963 55 HZ1 LYS 5 HZ1 LYS 5 3.799 -7.358 6.705 56 HZ2 LYS 5 HZ2 LYS 5 3.345 -5.993 7.608 57 HZ3 LYS 5 HZ3 LYS 5 4.126 -7.292 8.365 58 H LEU 6 H LEU 6 8.349 -4.537 1.692 59 HA LEU 6 HA LEU 6 8.283 -2.107 0.050 60 HB2 LEU 6 HB2 LEU 6 10.035 -3.929 -0.280 61 HB3 LEU 6 HB3 LEU 6 8.743 -5.001 -0.764 62 HG LEU 6 HG LEU 6 10.158 -3.990 -2.615 63 HD11 LEU 6 HD11 LEU 6 7.182 -3.507 -2.789 64 HD12 LEU 6 HD12 LEU 6 8.290 -3.626 -4.161 65 HD13 LEU 6 HD13 LEU 6 8.005 -5.029 -3.123 66 HD21 LEU 6 HD21 LEU 6 9.782 -1.757 -3.308 67 HD22 LEU 6 HD22 LEU 6 8.512 -1.539 -2.093 68 HD23 LEU 6 HD23 LEU 6 10.197 -1.719 -1.594 69 H LEU 7 H LEU 7 6.515 -1.724 -1.296 70 HA LEU 7 HA LEU 7 4.191 -3.412 -0.775 71 HB2 LEU 7 HB2 LEU 7 4.006 -0.926 -0.642 72 HB3 LEU 7 HB3 LEU 7 4.383 -0.835 -2.351 73 HG LEU 7 HG LEU 7 2.121 -2.598 -1.760 74 HD11 LEU 7 HD11 LEU 7 1.915 0.345 -1.141 75 HD12 LEU 7 HD12 LEU 7 0.563 -0.781 -1.255 76 HD13 LEU 7 HD13 LEU 7 1.769 -0.978 0.017 77 HD21 LEU 7 HD21 LEU 7 2.749 -1.869 -4.032 78 HD22 LEU 7 HD22 LEU 7 1.115 -1.362 -3.611 79 HD23 LEU 7 HD23 LEU 7 2.432 -0.191 -3.581 80 H TYR 8 H TYR 8 4.684 -5.179 -1.863 81 HA TYR 8 HA TYR 8 5.301 -5.103 -4.694 82 HB2 TYR 8 HB2 TYR 8 6.368 -6.640 -2.922 83 HB3 TYR 8 HB3 TYR 8 4.875 -7.564 -3.010 84 HD1 TYR 8 HD2 TYR 8 7.272 -6.059 -5.467 85 HD2 TYR 8 HD1 TYR 8 5.015 -9.467 -4.289 86 HE1 TYR 8 HE2 TYR 8 8.131 -7.293 -7.415 87 HE2 TYR 8 HE1 TYR 8 5.860 -10.707 -6.236 88 HH TYR 8 HH TYR 8 8.339 -9.381 -8.348 89 H CYS 9 H CYS 9 3.585 -4.655 -5.873 90 HA CYS 9 HA CYS 9 0.975 -5.792 -5.467 91 HB2 CYS 9 HB2 CYS 9 1.286 -3.539 -6.453 92 HB3 CYS 9 HB3 CYS 9 2.087 -4.273 -7.837 93 HG CYS 9 HG CYS 9 -1.200 -4.135 -7.077 94 H SER 10 H SER 10 -0.058 -7.159 -7.180 95 HA SER 10 HA SER 10 1.629 -9.473 -7.148 96 HB2 SER 10 HB2 SER 10 -0.836 -9.532 -6.697 97 HB3 SER 10 HB3 SER 10 -1.127 -9.087 -8.377 98 HG SER 10 HG SER 10 -1.299 -11.318 -8.137 99 H ASN 11 H ASN 11 2.216 -10.697 -9.304 100 HA ASN 11 HA ASN 11 3.864 -8.386 -9.748 101 HB2 ASN 11 HB2 ASN 11 5.672 -9.829 -10.240 102 HB3 ASN 11 HB3 ASN 11 4.797 -10.517 -8.882 103 HD21 ASN 11 HD21 ASN 11 3.807 -12.502 -9.108 104 HD22 ASN 11 HD22 ASN 11 4.041 -13.514 -10.498 105 H GLY 12 H GLY 12 3.558 -7.120 -11.297 106 HA2 GLY 12 HA3 GLY 12 4.238 -8.168 -13.937 107 HA3 GLY 12 HA2 GLY 12 2.852 -7.094 -13.804 108 H GLY 13 H GLY 13 4.854 -6.001 -11.441 109 HA2 GLY 13 HA3 GLY 13 6.125 -4.066 -13.157 110 HA3 GLY 13 HA2 GLY 13 4.861 -3.536 -12.056 111 H HIS 14 H HIS 14 6.120 -2.334 -10.861 112 HA HIS 14 HA HIS 14 8.604 -3.302 -9.724 113 HB2 HIS 14 HB2 HIS 14 9.406 -0.834 -10.214 114 HB3 HIS 14 HB3 HIS 14 9.573 -2.080 -11.438 115 HD1 HIS 14 HD1 HIS 14 9.624 -0.256 -13.280 116 HD2 HIS 14 HD2 HIS 14 6.076 -0.372 -11.115 117 HE1 HIS 14 HE1 HIS 14 8.001 1.167 -14.560 118 HE2 HIS 14 HE2 HIS 14 5.962 1.295 -13.089 119 H PHE 15 H PHE 15 9.193 -1.239 -8.081 120 HA PHE 15 HA PHE 15 7.181 -2.112 -6.211 121 HB2 PHE 15 HB2 PHE 15 9.832 -0.867 -5.535 122 HB3 PHE 15 HB3 PHE 15 8.879 -2.004 -4.586 123 HD1 PHE 15 HD2 PHE 15 8.457 -4.327 -5.874 124 HD2 PHE 15 HD1 PHE 15 11.721 -1.678 -6.539 125 HE1 PHE 15 HE2 PHE 15 9.773 -6.186 -6.798 126 HE2 PHE 15 HE1 PHE 15 13.042 -3.534 -7.470 127 HZ PHE 15 HZ PHE 15 12.068 -5.793 -7.598 128 H LEU 16 H LEU 16 6.186 -0.725 -4.701 129 HA LEU 16 HA LEU 16 5.621 1.817 -5.853 130 HB2 LEU 16 HB2 LEU 16 4.127 0.042 -4.566 131 HB3 LEU 16 HB3 LEU 16 4.609 0.988 -3.174 132 HG LEU 16 HG LEU 16 3.737 3.002 -4.614 133 HD11 LEU 16 HD11 LEU 16 2.249 0.655 -5.784 134 HD12 LEU 16 HD12 LEU 16 1.813 2.350 -5.997 135 HD13 LEU 16 HD13 LEU 16 3.336 1.744 -6.645 136 HD21 LEU 16 HD21 LEU 16 1.536 2.714 -3.592 137 HD22 LEU 16 HD22 LEU 16 1.915 1.024 -3.253 138 HD23 LEU 16 HD23 LEU 16 2.832 2.309 -2.467 139 H ARG 17 H ARG 17 6.421 3.608 -5.381 140 HA ARG 17 HA ARG 17 8.380 3.940 -3.173 141 HB2 ARG 17 HB2 ARG 17 9.464 3.203 -5.242 142 HB3 ARG 17 HB3 ARG 17 8.629 4.439 -6.156 143 HG2 ARG 17 HG2 ARG 17 9.911 6.096 -4.652 144 HG3 ARG 17 HG3 ARG 17 10.945 4.705 -4.292 145 HD2 ARG 17 HD2 ARG 17 10.801 4.438 -6.937 146 HD3 ARG 17 HD3 ARG 17 10.549 6.176 -6.836 147 HE ARG 17 HE ARG 17 12.915 4.877 -5.647 148 HH11 ARG 17 HH12 ARG 17 11.428 7.372 -7.586 149 HH12 ARG 17 HH11 ARG 17 12.933 8.105 -8.047 150 HH21 ARG 17 HH22 ARG 17 14.913 5.776 -6.314 151 HH22 ARG 17 HH21 ARG 17 14.917 7.152 -7.390 152 H ILE 18 H ILE 18 8.585 6.288 -2.520 153 HA ILE 18 HA ILE 18 6.257 7.758 -3.438 154 HB ILE 18 HB ILE 18 6.685 9.326 -1.703 155 HG12 ILE 18 HG12 ILE 18 9.155 7.861 -0.840 156 HG13 ILE 18 HG13 ILE 18 9.253 9.139 -2.047 157 HG21 ILE 18 HG21 ILE 18 5.593 7.265 -1.048 158 HG22 ILE 18 HG22 ILE 18 7.157 6.527 -0.712 159 HG23 ILE 18 HG23 ILE 18 6.594 7.879 0.268 160 HD11 ILE 18 HD11 ILE 18 8.161 9.438 0.739 161 HD12 ILE 18 HD12 ILE 18 9.752 9.962 0.184 162 HD13 ILE 18 HD13 ILE 18 8.298 10.717 -0.468 163 H LEU 19 H LEU 19 6.254 9.444 -4.668 164 HA LEU 19 HA LEU 19 8.805 10.683 -5.458 165 HB2 LEU 19 HB2 LEU 19 6.145 10.662 -6.915 166 HB3 LEU 19 HB3 LEU 19 7.590 11.487 -7.461 167 HG LEU 19 HG LEU 19 8.673 9.137 -7.480 168 HD11 LEU 19 HD11 LEU 19 7.128 7.298 -7.887 169 HD12 LEU 19 HD12 LEU 19 6.897 7.972 -6.273 170 HD13 LEU 19 HD13 LEU 19 5.760 8.364 -7.562 171 HD21 LEU 19 HD21 LEU 19 7.826 8.733 -9.745 172 HD22 LEU 19 HD22 LEU 19 6.535 9.901 -9.460 173 HD23 LEU 19 HD23 LEU 19 8.217 10.432 -9.476 174 HA PRO 20 HA PRO 20 7.453 14.164 -3.172 175 HB2 PRO 20 HB2 PRO 20 8.728 15.950 -5.112 176 HB3 PRO 20 HB3 PRO 20 9.179 15.632 -3.432 177 HG2 PRO 20 HG2 PRO 20 10.688 14.766 -5.470 178 HG3 PRO 20 HG3 PRO 20 10.477 13.798 -3.998 179 HD2 PRO 20 HD2 PRO 20 9.109 13.518 -6.657 180 HD3 PRO 20 HD3 PRO 20 9.804 12.257 -5.612 181 H ASP 21 H ASP 21 6.195 13.492 -6.050 182 HA ASP 21 HA ASP 21 4.686 15.955 -6.424 183 HB2 ASP 21 HB2 ASP 21 4.684 13.342 -7.952 184 HB3 ASP 21 HB3 ASP 21 3.651 14.712 -8.347 185 H GLY 22 H GLY 22 4.492 13.237 -4.515 186 HA2 GLY 22 HA3 GLY 22 2.766 13.078 -2.869 187 HA3 GLY 22 HA2 GLY 22 1.639 13.771 -4.026 188 H THR 23 H THR 23 3.759 11.291 -5.146 189 HA THR 23 HA THR 23 1.443 9.541 -5.465 190 HB THR 23 HB THR 23 3.823 9.017 -7.042 191 HG1 THR 23 HG1 THR 23 2.428 11.280 -7.975 192 HG21 THR 23 HG21 THR 23 1.662 7.974 -7.485 193 HG22 THR 23 HG22 THR 23 2.168 8.934 -8.874 194 HG23 THR 23 HG23 THR 23 0.937 9.554 -7.776 195 H VAL 24 H VAL 24 1.615 7.489 -4.631 196 HA VAL 24 HA VAL 24 4.390 6.542 -4.375 197 HB VAL 24 HB VAL 24 3.103 6.599 -2.233 198 HG11 VAL 24 HG11 VAL 24 1.465 4.780 -1.862 199 HG12 VAL 24 HG12 VAL 24 0.927 6.038 -2.980 200 HG13 VAL 24 HG13 VAL 24 1.492 4.490 -3.606 201 HG21 VAL 24 HG21 VAL 24 3.802 4.355 -1.499 202 HG22 VAL 24 HG22 VAL 24 4.062 3.906 -3.185 203 HG23 VAL 24 HG23 VAL 24 5.037 5.180 -2.451 204 H ASP 25 H ASP 25 4.914 5.478 -6.031 205 HA ASP 25 HA ASP 25 3.009 3.830 -7.568 206 HB2 ASP 25 HB2 ASP 25 4.550 6.205 -8.383 207 HB3 ASP 25 HB3 ASP 25 4.767 4.828 -9.450 208 H GLY 26 H GLY 26 3.854 1.996 -8.676 209 HA2 GLY 26 HA3 GLY 26 6.269 0.963 -7.726 210 HA3 GLY 26 HA2 GLY 26 5.437 0.436 -9.174 211 H THR 27 H THR 27 8.198 1.013 -8.305 212 HA THR 27 HA THR 27 9.283 2.085 -10.738 213 HB THR 27 HB THR 27 9.921 3.300 -8.030 214 HG1 THR 27 HG1 THR 27 8.000 4.157 -8.924 215 HG21 THR 27 HG21 THR 27 11.877 3.056 -9.462 216 HG22 THR 27 HG22 THR 27 11.450 4.753 -9.239 217 HG23 THR 27 HG23 THR 27 11.050 3.932 -10.749 218 H ARG 28 H ARG 28 11.472 0.904 -11.005 219 HA ARG 28 HA ARG 28 11.803 -0.668 -8.544 220 HB2 ARG 28 HB2 ARG 28 13.552 -1.969 -9.761 221 HB3 ARG 28 HB3 ARG 28 11.935 -2.111 -10.421 222 HG2 ARG 28 HG2 ARG 28 12.510 -0.644 -12.248 223 HG3 ARG 28 HG3 ARG 28 14.115 -0.371 -11.552 224 HD2 ARG 28 HD2 ARG 28 14.710 -2.663 -11.846 225 HD3 ARG 28 HD3 ARG 28 13.063 -3.093 -12.296 226 HE ARG 28 HE ARG 28 14.414 -1.183 -14.025 227 HH11 ARG 28 HH12 ARG 28 13.531 -4.516 -13.405 228 HH12 ARG 28 HH11 ARG 28 13.723 -5.010 -15.061 229 HH21 ARG 28 HH22 ARG 28 14.667 -1.815 -16.191 230 HH22 ARG 28 HH21 ARG 28 14.361 -3.464 -16.658 231 H ASP 29 H ASP 29 12.638 0.514 -7.128 232 HA ASP 29 HA ASP 29 15.491 0.981 -7.381 233 HB2 ASP 29 HB2 ASP 29 14.719 3.197 -7.780 234 HB3 ASP 29 HB3 ASP 29 13.468 3.065 -6.553 235 H ARG 30 H ARG 30 16.075 -0.570 -5.872 236 HA ARG 30 HA ARG 30 15.228 0.165 -3.166 237 HB2 ARG 30 HB2 ARG 30 15.543 -2.123 -2.388 238 HB3 ARG 30 HB3 ARG 30 14.320 -2.055 -3.642 239 HG2 ARG 30 HG2 ARG 30 17.160 -2.836 -4.211 240 HG3 ARG 30 HG3 ARG 30 15.938 -3.998 -3.696 241 HD2 ARG 30 HD2 ARG 30 14.542 -3.110 -5.649 242 HD3 ARG 30 HD3 ARG 30 16.041 -2.371 -6.216 243 HE ARG 30 HE ARG 30 15.466 -5.241 -6.018 244 HH11 ARG 30 HH12 ARG 30 17.599 -2.638 -7.007 245 HH12 ARG 30 HH11 ARG 30 18.650 -3.676 -7.924 246 HH21 ARG 30 HH22 ARG 30 16.821 -6.605 -7.230 247 HH22 ARG 30 HH21 ARG 30 18.213 -5.943 -8.037 248 H SER 31 H SER 31 17.334 0.841 -5.146 249 HA SER 31 HA SER 31 19.773 0.137 -3.757 250 HB2 SER 31 HB2 SER 31 19.304 2.000 -6.101 251 HB3 SER 31 HB3 SER 31 20.873 1.443 -5.518 252 HG SER 31 HG SER 31 20.614 -0.265 -6.687 253 H ASP 32 H ASP 32 17.368 2.634 -3.817 254 HA ASP 32 HA ASP 32 19.041 4.137 -1.918 255 HB2 ASP 32 HB2 ASP 32 18.400 5.237 -4.215 256 HB3 ASP 32 HB3 ASP 32 16.822 5.438 -3.460 257 H GLN 33 H GLN 33 17.245 5.680 -0.753 258 HA GLN 33 HA GLN 33 15.501 3.679 0.487 259 HB2 GLN 33 HB2 GLN 33 15.608 5.137 2.492 260 HB3 GLN 33 HB3 GLN 33 17.165 4.499 1.978 261 HG2 GLN 33 HG2 GLN 33 17.893 6.570 1.194 262 HG3 GLN 33 HG3 GLN 33 16.260 7.234 1.167 263 HE21 GLN 33 HE21 GLN 33 15.298 7.875 3.088 264 HE22 GLN 33 HE22 GLN 33 16.228 8.196 4.517 265 H HIS 34 H HIS 34 13.933 4.110 -1.268 266 HA HIS 34 HA HIS 34 12.340 6.500 -0.585 267 HB2 HIS 34 HB2 HIS 34 12.697 5.308 -3.341 268 HB3 HIS 34 HB3 HIS 34 11.667 6.676 -2.942 269 HD1 HIS 34 HD1 HIS 34 14.896 5.928 -4.262 270 HD2 HIS 34 HD2 HIS 34 13.356 8.892 -1.773 271 HE1 HIS 34 HE1 HIS 34 16.513 7.852 -4.402 272 HE2 HIS 34 HE2 HIS 34 15.668 9.532 -2.733 273 H ILE 35 H ILE 35 12.393 3.137 -1.317 274 HA ILE 35 HA ILE 35 9.535 2.997 -1.779 275 HB ILE 35 HB ILE 35 9.856 0.810 -2.583 276 HG12 ILE 35 HG12 ILE 35 11.370 -0.018 -0.787 277 HG13 ILE 35 HG13 ILE 35 11.905 -0.476 -2.396 278 HG21 ILE 35 HG21 ILE 35 12.279 2.399 -3.422 279 HG22 ILE 35 HG22 ILE 35 11.445 1.152 -4.352 280 HG23 ILE 35 HG23 ILE 35 10.630 2.678 -4.003 281 HD11 ILE 35 HD11 ILE 35 13.071 1.638 -0.608 282 HD12 ILE 35 HD12 ILE 35 13.813 0.130 -1.131 283 HD13 ILE 35 HD13 ILE 35 13.529 1.422 -2.298 284 H GLN 36 H GLN 36 11.004 3.186 1.086 285 HA GLN 36 HA GLN 36 10.074 0.593 2.081 286 HB2 GLN 36 HB2 GLN 36 11.464 0.923 4.007 287 HB3 GLN 36 HB3 GLN 36 12.403 1.247 2.561 288 HG2 GLN 36 HG2 GLN 36 11.109 3.448 4.138 289 HG3 GLN 36 HG3 GLN 36 12.706 2.803 4.552 290 HE21 GLN 36 HE21 GLN 36 10.851 4.674 2.327 291 HE22 GLN 36 HE22 GLN 36 12.192 5.307 1.432 292 H LEU 37 H LEU 37 7.972 0.668 2.542 293 HA LEU 37 HA LEU 37 7.119 2.789 4.380 294 HB2 LEU 37 HB2 LEU 37 4.764 1.821 3.672 295 HB3 LEU 37 HB3 LEU 37 5.590 3.072 2.770 296 HG LEU 37 HG LEU 37 6.503 1.142 1.313 297 HD11 LEU 37 HD11 LEU 37 5.875 -0.685 2.798 298 HD12 LEU 37 HD12 LEU 37 4.174 -0.262 2.610 299 HD13 LEU 37 HD13 LEU 37 5.096 -0.845 1.223 300 HD21 LEU 37 HD21 LEU 37 4.509 1.158 -0.087 301 HD22 LEU 37 HD22 LEU 37 3.564 1.805 1.254 302 HD23 LEU 37 HD23 LEU 37 4.858 2.769 0.541 303 H GLN 38 H GLN 38 6.090 2.291 6.246 304 HA GLN 38 HA GLN 38 6.876 -0.351 7.212 305 HB2 GLN 38 HB2 GLN 38 7.536 1.973 8.245 306 HB3 GLN 38 HB3 GLN 38 5.911 1.922 8.929 307 HG2 GLN 38 HG2 GLN 38 7.985 -0.215 9.363 308 HG3 GLN 38 HG3 GLN 38 7.706 1.138 10.456 309 HE21 GLN 38 HE21 GLN 38 6.591 -1.929 9.361 310 HE22 GLN 38 HE22 GLN 38 5.294 -2.106 10.502 311 H LEU 39 H LEU 39 5.339 -1.817 7.023 312 HA LEU 39 HA LEU 39 2.535 -0.986 7.261 313 HB2 LEU 39 HB2 LEU 39 3.957 -2.902 5.480 314 HB3 LEU 39 HB3 LEU 39 2.333 -3.330 5.988 315 HG LEU 39 HG LEU 39 3.040 -0.740 4.609 316 HD11 LEU 39 HD11 LEU 39 1.804 -3.257 3.490 317 HD12 LEU 39 HD12 LEU 39 1.993 -1.729 2.631 318 HD13 LEU 39 HD13 LEU 39 3.417 -2.645 3.124 319 HD21 LEU 39 HD21 LEU 39 1.065 -0.630 6.040 320 HD22 LEU 39 HD22 LEU 39 0.614 -0.554 4.335 321 HD23 LEU 39 HD23 LEU 39 0.398 -2.054 5.241 322 H SER 40 H SER 40 2.138 -1.348 9.387 323 HA SER 40 HA SER 40 2.566 -4.091 10.366 324 HB2 SER 40 HB2 SER 40 2.235 -1.505 11.905 325 HB3 SER 40 HB3 SER 40 2.309 -3.102 12.649 326 HG SER 40 HG SER 40 4.339 -1.902 12.536 327 H ALA 41 H ALA 41 0.899 -5.024 11.663 328 HA ALA 41 HA ALA 41 -1.788 -3.867 11.264 329 HB1 ALA 41 HB1 ALA 41 -0.990 -6.760 11.665 330 HB2 ALA 41 HB2 ALA 41 -2.648 -6.166 11.571 331 HB3 ALA 41 HB3 ALA 41 -1.585 -6.036 10.171 332 H GLU 42 H GLU 42 -2.070 -2.718 13.080 333 HA GLU 42 HA GLU 42 -0.843 -3.712 15.542 334 HB2 GLU 42 HB2 GLU 42 -1.837 -0.917 14.955 335 HB3 GLU 42 HB3 GLU 42 -0.783 -1.423 16.274 336 HG2 GLU 42 HG2 GLU 42 0.976 -1.981 14.721 337 HG3 GLU 42 HG3 GLU 42 -0.068 -1.601 13.353 338 H SER 43 H SER 43 -3.905 -2.566 14.234 339 HA SER 43 HA SER 43 -5.205 -3.459 16.716 340 HB2 SER 43 HB2 SER 43 -6.493 -1.847 14.512 341 HB3 SER 43 HB3 SER 43 -7.084 -2.099 16.148 342 HG SER 43 HG SER 43 -4.576 -0.956 15.974 343 H VAL 44 H VAL 44 -7.205 -4.703 16.428 344 HA VAL 44 HA VAL 44 -6.776 -6.922 14.784 345 HB VAL 44 HB VAL 44 -9.188 -7.475 15.296 346 HG11 VAL 44 HG11 VAL 44 -7.362 -8.277 16.672 347 HG12 VAL 44 HG12 VAL 44 -7.369 -6.775 17.596 348 HG13 VAL 44 HG13 VAL 44 -8.750 -7.870 17.681 349 HG21 VAL 44 HG21 VAL 44 -10.050 -5.203 15.502 350 HG22 VAL 44 HG22 VAL 44 -10.327 -6.118 16.984 351 HG23 VAL 44 HG23 VAL 44 -9.024 -4.931 16.911 352 H GLY 45 H GLY 45 -6.822 -6.961 12.663 353 HA2 GLY 45 HA3 GLY 45 -7.786 -6.966 10.557 354 HA3 GLY 45 HA2 GLY 45 -9.228 -6.244 11.261 355 H GLU 46 H GLU 46 -6.685 -4.421 12.275 356 HA GLU 46 HA GLU 46 -7.060 -2.527 10.106 357 HB2 GLU 46 HB2 GLU 46 -7.850 -1.421 11.898 358 HB3 GLU 46 HB3 GLU 46 -6.858 -2.307 13.050 359 HG2 GLU 46 HG2 GLU 46 -5.948 -0.217 13.163 360 HG3 GLU 46 HG3 GLU 46 -4.942 -0.992 11.935 361 H VAL 47 H VAL 47 -5.429 -1.719 9.049 362 HA VAL 47 HA VAL 47 -2.712 -2.475 9.896 363 HB VAL 47 HB VAL 47 -2.037 -2.448 7.480 364 HG11 VAL 47 HG11 VAL 47 -3.924 -4.618 8.381 365 HG12 VAL 47 HG12 VAL 47 -2.727 -4.765 7.094 366 HG13 VAL 47 HG13 VAL 47 -2.205 -4.504 8.758 367 HG21 VAL 47 HG21 VAL 47 -3.999 -1.349 6.552 368 HG22 VAL 47 HG22 VAL 47 -3.769 -2.933 5.812 369 HG23 VAL 47 HG23 VAL 47 -5.012 -2.706 7.044 370 H TYR 48 H TYR 48 -1.094 -0.987 9.575 371 HA TYR 48 HA TYR 48 -2.138 1.715 9.028 372 HB2 TYR 48 HB2 TYR 48 -1.578 1.174 11.456 373 HB3 TYR 48 HB3 TYR 48 0.102 1.051 10.949 374 HD1 TYR 48 HD1 TYR 48 -2.780 3.410 10.955 375 HD2 TYR 48 HD2 TYR 48 1.447 2.947 10.926 376 HE1 TYR 48 HE1 TYR 48 -2.517 5.839 11.242 377 HE2 TYR 48 HE2 TYR 48 1.721 5.373 11.217 378 HH TYR 48 HH TYR 48 0.398 7.439 10.747 379 H ILE 49 H ILE 49 -1.212 2.679 7.404 380 HA ILE 49 HA ILE 49 1.254 1.541 6.306 381 HB ILE 49 HB ILE 49 -0.648 3.428 4.911 382 HG12 ILE 49 HG12 ILE 49 -0.608 0.400 4.922 383 HG13 ILE 49 HG13 ILE 49 -1.900 1.433 5.522 384 HG21 ILE 49 HG21 ILE 49 1.596 3.301 3.980 385 HG22 ILE 49 HG22 ILE 49 1.478 1.543 3.897 386 HG23 ILE 49 HG23 ILE 49 0.432 2.545 2.892 387 HD11 ILE 49 HD11 ILE 49 -2.325 2.214 3.252 388 HD12 ILE 49 HD12 ILE 49 -1.029 1.177 2.654 389 HD13 ILE 49 HD13 ILE 49 -2.469 0.460 3.379 390 H LYS 50 H LYS 50 2.925 2.581 7.159 391 HA LYS 50 HA LYS 50 2.728 5.507 7.338 392 HB2 LYS 50 HB2 LYS 50 4.105 5.413 9.384 393 HB3 LYS 50 HB3 LYS 50 2.552 4.614 9.568 394 HG2 LYS 50 HG2 LYS 50 3.729 2.441 9.160 395 HG3 LYS 50 HG3 LYS 50 5.250 3.331 9.239 396 HD2 LYS 50 HD2 LYS 50 3.177 3.228 11.430 397 HD3 LYS 50 HD3 LYS 50 4.657 2.270 11.385 398 HE2 LYS 50 HE2 LYS 50 4.564 5.284 11.396 399 HE3 LYS 50 HE3 LYS 50 4.812 4.285 12.826 400 HZ1 LYS 50 HZ1 LYS 50 6.895 5.123 11.896 401 HZ2 LYS 50 HZ2 LYS 50 6.586 4.309 10.445 402 HZ3 LYS 50 HZ3 LYS 50 6.838 3.426 11.871 403 H SER 51 H SER 51 4.598 6.692 6.991 404 HA SER 51 HA SER 51 6.594 5.544 5.321 405 HB2 SER 51 HB2 SER 51 6.624 8.210 6.765 406 HB3 SER 51 HB3 SER 51 7.556 7.768 5.337 407 HG SER 51 HG SER 51 4.881 8.493 5.576 408 H THR 52 H THR 52 8.526 4.806 5.881 409 HA THR 52 HA THR 52 9.389 4.878 8.606 410 HB THR 52 HB THR 52 11.207 4.519 6.219 411 HG1 THR 52 HG1 THR 52 9.865 2.973 5.630 412 HG21 THR 52 HG21 THR 52 12.204 4.518 8.466 413 HG22 THR 52 HG22 THR 52 12.342 2.938 7.693 414 HG23 THR 52 HG23 THR 52 11.120 3.208 8.935 415 H GLU 53 H GLU 53 11.745 5.993 6.367 416 HA GLU 53 HA GLU 53 11.294 8.739 7.307 417 HB2 GLU 53 HB2 GLU 53 13.602 7.796 7.367 418 HB3 GLU 53 HB3 GLU 53 13.561 7.680 5.616 419 HG2 GLU 53 HG2 GLU 53 13.569 10.008 5.353 420 HG3 GLU 53 HG3 GLU 53 13.166 10.282 7.050 421 H THR 54 H THR 54 11.583 6.845 4.381 422 HA THR 54 HA THR 54 10.379 8.977 2.746 423 HB THR 54 HB THR 54 11.814 6.747 1.459 424 HG1 THR 54 HG1 THR 54 13.353 8.847 2.568 425 HG21 THR 54 HG21 THR 54 12.653 8.569 0.054 426 HG22 THR 54 HG22 THR 54 11.890 9.752 1.116 427 HG23 THR 54 HG23 THR 54 10.895 8.639 0.176 428 H GLY 55 H GLY 55 8.661 6.893 4.235 429 HA2 GLY 55 HA3 GLY 55 8.523 4.855 2.153 430 HA3 GLY 55 HA2 GLY 55 7.914 4.682 3.776 431 H GLN 56 H GLN 56 6.085 7.035 3.679 432 HA GLN 56 HA GLN 56 5.189 7.974 1.390 433 HB2 GLN 56 HB2 GLN 56 3.340 6.785 0.482 434 HB3 GLN 56 HB3 GLN 56 4.745 5.736 0.503 435 HG2 GLN 56 HG2 GLN 56 3.815 4.290 1.972 436 HG3 GLN 56 HG3 GLN 56 2.883 5.547 2.794 437 HE21 GLN 56 HE21 GLN 56 1.835 6.685 0.430 438 HE22 GLN 56 HE22 GLN 56 0.632 5.594 -0.183 439 H TYR 57 H TYR 57 3.658 9.430 1.583 440 HA TYR 57 HA TYR 57 2.103 9.519 4.052 441 HB2 TYR 57 HB2 TYR 57 3.122 11.628 3.557 442 HB3 TYR 57 HB3 TYR 57 2.571 11.587 1.897 443 HD1 TYR 57 HD1 TYR 57 0.741 11.117 5.136 444 HD2 TYR 57 HD2 TYR 57 1.174 13.363 1.548 445 HE1 TYR 57 HE1 TYR 57 -1.220 12.470 5.748 446 HE2 TYR 57 HE2 TYR 57 -0.785 14.718 2.149 447 HH TYR 57 HH TYR 57 -2.752 14.605 3.533 448 H LEU 58 H LEU 58 0.728 7.791 3.566 449 HA LEU 58 HA LEU 58 -0.688 7.894 1.111 450 HB2 LEU 58 HB2 LEU 58 -0.144 5.847 2.761 451 HB3 LEU 58 HB3 LEU 58 -1.800 6.205 3.248 452 HG LEU 58 HG LEU 58 -0.997 5.907 0.388 453 HD11 LEU 58 HD11 LEU 58 -2.030 3.753 2.247 454 HD12 LEU 58 HD12 LEU 58 -1.875 3.592 0.496 455 HD13 LEU 58 HD13 LEU 58 -0.436 3.812 1.493 456 HD21 LEU 58 HD21 LEU 58 -3.109 7.022 0.745 457 HD22 LEU 58 HD22 LEU 58 -3.399 5.415 0.078 458 HD23 LEU 58 HD23 LEU 58 -3.661 5.718 1.796 459 H ALA 59 H ALA 59 -1.904 9.412 0.787 460 HA ALA 59 HA ALA 59 -3.834 10.269 2.806 461 HB1 ALA 59 HB1 ALA 59 -2.210 11.914 1.752 462 HB2 ALA 59 HB2 ALA 59 -3.083 11.669 0.241 463 HB3 ALA 59 HB3 ALA 59 -3.924 12.347 1.639 464 H MET 60 H MET 60 -5.584 8.895 2.567 465 HA MET 60 HA MET 60 -6.470 8.187 -0.094 466 HB2 MET 60 HB2 MET 60 -6.737 6.830 2.103 467 HB3 MET 60 HB3 MET 60 -8.095 7.896 2.429 468 HG2 MET 60 HG2 MET 60 -8.827 5.804 1.431 469 HG3 MET 60 HG3 MET 60 -9.192 7.179 0.391 470 HE1 MET 60 HE1 MET 60 -9.635 5.298 -1.535 471 HE2 MET 60 HE2 MET 60 -8.403 4.142 -2.045 472 HE3 MET 60 HE3 MET 60 -9.118 4.019 -0.437 473 H ASP 61 H ASP 61 -7.988 9.263 -1.317 474 HA ASP 61 HA ASP 61 -9.040 11.740 -0.094 475 HB2 ASP 61 HB2 ASP 61 -7.083 12.007 -1.761 476 HB3 ASP 61 HB3 ASP 61 -8.273 11.525 -2.961 477 H THR 62 H THR 62 -11.071 11.905 -0.233 478 HA THR 62 HA THR 62 -13.255 11.498 -0.541 479 HB THR 62 HB THR 62 -12.493 10.447 -3.262 480 HG1 THR 62 HG1 THR 62 -11.875 12.788 -2.449 481 HG21 THR 62 HG21 THR 62 -14.742 11.210 -3.876 482 HG22 THR 62 HG22 THR 62 -15.004 11.745 -2.217 483 HG23 THR 62 HG23 THR 62 -14.799 10.030 -2.567 484 H ASP 63 H ASP 63 -11.712 9.051 -2.446 485 HA ASP 63 HA ASP 63 -11.087 7.065 -0.751 486 HB2 ASP 63 HB2 ASP 63 -13.714 7.331 -0.383 487 HB3 ASP 63 HB3 ASP 63 -13.762 6.209 -1.736 488 H GLY 64 H GLY 64 -10.947 8.328 -3.532 489 HA2 GLY 64 HA3 GLY 64 -11.631 6.040 -5.231 490 HA3 GLY 64 HA2 GLY 64 -11.838 7.716 -5.718 491 H LEU 65 H LEU 65 -9.126 8.136 -4.231 492 HA LEU 65 HA LEU 65 -7.360 6.462 -5.727 493 HB2 LEU 65 HB2 LEU 65 -6.285 7.942 -7.057 494 HB3 LEU 65 HB3 LEU 65 -7.945 8.530 -7.157 495 HG LEU 65 HG LEU 65 -5.859 9.742 -5.340 496 HD11 LEU 65 HD11 LEU 65 -5.186 10.038 -7.651 497 HD12 LEU 65 HD12 LEU 65 -6.794 10.626 -8.067 498 HD13 LEU 65 HD13 LEU 65 -5.764 11.564 -6.986 499 HD21 LEU 65 HD21 LEU 65 -8.169 10.098 -4.623 500 HD22 LEU 65 HD22 LEU 65 -7.441 11.599 -5.197 501 HD23 LEU 65 HD23 LEU 65 -8.575 10.720 -6.222 502 H LEU 66 H LEU 66 -4.991 7.258 -5.242 503 HA LEU 66 HA LEU 66 -4.953 7.539 -2.356 504 HB2 LEU 66 HB2 LEU 66 -3.562 5.321 -2.399 505 HB3 LEU 66 HB3 LEU 66 -5.313 5.300 -2.328 506 HG LEU 66 HG LEU 66 -3.769 4.938 -4.911 507 HD11 LEU 66 HD11 LEU 66 -3.186 3.147 -3.371 508 HD12 LEU 66 HD12 LEU 66 -4.896 2.854 -3.050 509 HD13 LEU 66 HD13 LEU 66 -4.238 2.550 -4.657 510 HD21 LEU 66 HD21 LEU 66 -6.608 4.158 -4.221 511 HD22 LEU 66 HD22 LEU 66 -6.173 5.634 -5.080 512 HD23 LEU 66 HD23 LEU 66 -5.833 4.059 -5.810 513 H TYR 67 H TYR 67 -3.249 8.455 -1.578 514 HA TYR 67 HA TYR 67 -1.114 9.227 -3.469 515 HB2 TYR 67 HB2 TYR 67 -2.265 10.531 -1.001 516 HB3 TYR 67 HB3 TYR 67 -0.749 11.052 -1.712 517 HD1 TYR 67 HD1 TYR 67 -4.329 10.518 -2.642 518 HD2 TYR 67 HD2 TYR 67 -0.761 12.749 -3.195 519 HE1 TYR 67 HE1 TYR 67 -5.549 12.103 -4.066 520 HE2 TYR 67 HE2 TYR 67 -1.947 14.332 -4.616 521 HH TYR 67 HH TYR 67 -5.333 14.467 -4.779 522 H GLY 68 H GLY 68 1.084 9.251 -2.657 523 HA2 GLY 68 HA3 GLY 68 1.337 9.119 0.169 524 HA3 GLY 68 HA2 GLY 68 1.960 7.672 -0.595 525 H SER 69 H SER 69 2.762 10.757 0.514 526 HA SER 69 HA SER 69 5.404 9.837 -0.419 527 HB2 SER 69 HB2 SER 69 4.737 12.759 -0.485 528 HB3 SER 69 HB3 SER 69 6.187 11.975 -1.113 529 HG SER 69 HG SER 69 4.412 10.729 -2.375 530 H GLN 70 H GLN 70 4.158 12.359 1.857 531 HA GLN 70 HA GLN 70 6.892 12.491 2.846 532 HB2 GLN 70 HB2 GLN 70 4.511 14.187 3.554 533 HB3 GLN 70 HB3 GLN 70 6.166 14.492 4.055 534 HG2 GLN 70 HG2 GLN 70 5.186 14.450 1.209 535 HG3 GLN 70 HG3 GLN 70 5.464 15.897 2.173 536 HE21 GLN 70 HE21 GLN 70 7.020 16.740 0.835 537 HE22 GLN 70 HE22 GLN 70 8.591 16.026 0.635 538 H THR 71 H THR 71 3.780 11.649 4.235 539 HA THR 71 HA THR 71 5.040 11.270 6.872 540 HB THR 71 HB THR 71 2.664 12.354 7.567 541 HG1 THR 71 HG1 THR 71 2.256 14.108 6.179 542 HG21 THR 71 HG21 THR 71 3.906 14.440 7.998 543 HG22 THR 71 HG22 THR 71 5.214 13.857 6.968 544 HG23 THR 71 HG23 THR 71 4.828 13.014 8.467 545 HA PRO 72 HA PRO 72 1.254 8.640 6.986 546 HB2 PRO 72 HB2 PRO 72 1.458 7.541 9.411 547 HB3 PRO 72 HB3 PRO 72 2.618 7.146 8.134 548 HG2 PRO 72 HG2 PRO 72 3.047 8.695 10.593 549 HG3 PRO 72 HG3 PRO 72 4.248 8.008 9.488 550 HD2 PRO 72 HD2 PRO 72 3.154 10.747 9.583 551 HD3 PRO 72 HD3 PRO 72 4.620 10.151 8.768 552 H ASN 73 H ASN 73 -0.564 10.025 7.052 553 HA ASN 73 HA ASN 73 -1.235 11.283 9.653 554 HB2 ASN 73 HB2 ASN 73 -1.323 12.757 7.606 555 HB3 ASN 73 HB3 ASN 73 -2.515 11.663 6.916 556 HD21 ASN 73 HD21 ASN 73 -1.907 14.097 9.315 557 HD22 ASN 73 HD22 ASN 73 -3.565 14.414 9.701 558 H GLU 74 H GLU 74 -3.782 10.680 10.272 559 HA GLU 74 HA GLU 74 -3.933 8.064 8.942 560 HB2 GLU 74 HB2 GLU 74 -5.731 9.050 11.167 561 HB3 GLU 74 HB3 GLU 74 -5.476 7.388 10.644 562 HG2 GLU 74 HG2 GLU 74 -3.193 7.456 11.466 563 HG3 GLU 74 HG3 GLU 74 -3.403 9.138 11.948 564 H GLU 75 H GLU 75 -4.308 9.002 7.187 565 HA GLU 75 HA GLU 75 -7.113 8.654 6.515 566 HB2 GLU 75 HB2 GLU 75 -4.931 10.097 4.998 567 HB3 GLU 75 HB3 GLU 75 -6.547 9.791 4.367 568 HG2 GLU 75 HG2 GLU 75 -5.939 11.504 6.769 569 HG3 GLU 75 HG3 GLU 75 -6.196 12.117 5.138 570 H CYS 76 H CYS 76 -3.755 7.910 6.553 571 HA CYS 76 HA CYS 76 -3.488 6.401 4.239 572 HB2 CYS 76 HB2 CYS 76 -1.383 5.689 5.163 573 HB3 CYS 76 HB3 CYS 76 -1.635 7.388 5.537 574 HG CYS 76 HG CYS 76 -0.461 5.523 7.585 575 H LEU 77 H LEU 77 -5.108 5.604 7.148 576 HA LEU 77 HA LEU 77 -4.183 2.864 7.179 577 HB2 LEU 77 HB2 LEU 77 -5.679 2.744 9.263 578 HB3 LEU 77 HB3 LEU 77 -4.177 3.635 9.336 579 HG LEU 77 HG LEU 77 -5.524 5.747 9.000 580 HD11 LEU 77 HD11 LEU 77 -7.551 4.770 8.064 581 HD12 LEU 77 HD12 LEU 77 -7.838 3.902 9.574 582 HD13 LEU 77 HD13 LEU 77 -7.903 5.664 9.544 583 HD21 LEU 77 HD21 LEU 77 -6.065 4.056 11.433 584 HD22 LEU 77 HD22 LEU 77 -4.666 5.095 11.165 585 HD23 LEU 77 HD23 LEU 77 -6.271 5.805 11.339 586 H PHE 78 H PHE 78 -5.383 1.071 6.911 587 HA PHE 78 HA PHE 78 -8.122 1.443 6.024 588 HB2 PHE 78 HB2 PHE 78 -6.165 -0.207 4.406 589 HB3 PHE 78 HB3 PHE 78 -7.836 0.127 4.022 590 HD1 PHE 78 HD2 PHE 78 -8.369 2.763 3.933 591 HD2 PHE 78 HD1 PHE 78 -4.590 0.950 3.215 592 HE1 PHE 78 HE2 PHE 78 -7.693 4.717 2.604 593 HE2 PHE 78 HE1 PHE 78 -3.904 2.902 1.883 594 HZ PHE 78 HZ PHE 78 -5.456 4.788 1.576 595 H LEU 79 H LEU 79 -9.260 -0.715 5.880 596 HA LEU 79 HA LEU 79 -8.421 -2.357 8.136 597 HB2 LEU 79 HB2 LEU 79 -10.790 -1.546 7.868 598 HB3 LEU 79 HB3 LEU 79 -10.924 -2.565 6.451 599 HG LEU 79 HG LEU 79 -10.221 -3.764 9.115 600 HD11 LEU 79 HD11 LEU 79 -12.222 -2.430 9.493 601 HD12 LEU 79 HD12 LEU 79 -12.993 -3.161 8.086 602 HD13 LEU 79 HD13 LEU 79 -12.611 -4.149 9.497 603 HD21 LEU 79 HD21 LEU 79 -9.998 -5.178 7.138 604 HD22 LEU 79 HD22 LEU 79 -11.337 -5.725 8.148 605 HD23 LEU 79 HD23 LEU 79 -11.660 -4.813 6.675 606 H GLU 80 H GLU 80 -7.775 -4.503 7.905 607 HA GLU 80 HA GLU 80 -6.802 -5.023 5.197 608 HB2 GLU 80 HB2 GLU 80 -5.262 -4.913 7.227 609 HB3 GLU 80 HB3 GLU 80 -5.981 -6.435 7.732 610 HG2 GLU 80 HG2 GLU 80 -5.061 -6.505 4.979 611 HG3 GLU 80 HG3 GLU 80 -3.772 -6.119 6.117 612 H ARG 81 H ARG 81 -7.608 -6.548 4.007 613 HA ARG 81 HA ARG 81 -9.101 -8.737 5.249 614 HB2 ARG 81 HB2 ARG 81 -10.790 -7.350 4.271 615 HB3 ARG 81 HB3 ARG 81 -9.830 -7.097 2.818 616 HG2 ARG 81 HG2 ARG 81 -10.064 -9.536 2.335 617 HG3 ARG 81 HG3 ARG 81 -11.191 -9.633 3.686 618 HD2 ARG 81 HD2 ARG 81 -12.760 -8.253 2.615 619 HD3 ARG 81 HD3 ARG 81 -11.580 -7.697 1.426 620 HE ARG 81 HE ARG 81 -11.632 -10.296 0.880 621 HH11 ARG 81 HH12 ARG 81 -14.309 -8.109 1.496 622 HH12 ARG 81 HH11 ARG 81 -15.397 -8.966 0.449 623 HH21 ARG 81 HH22 ARG 81 -13.044 -11.401 -0.478 624 HH22 ARG 81 HH21 ARG 81 -14.682 -10.835 -0.683 625 H LEU 82 H LEU 82 -7.758 -10.371 4.972 626 HA LEU 82 HA LEU 82 -6.183 -10.527 2.546 627 HB2 LEU 82 HB2 LEU 82 -4.933 -12.313 3.672 628 HB3 LEU 82 HB3 LEU 82 -4.932 -10.816 4.579 629 HG LEU 82 HG LEU 82 -6.970 -12.020 5.824 630 HD11 LEU 82 HD11 LEU 82 -6.498 -14.397 6.121 631 HD12 LEU 82 HD12 LEU 82 -6.902 -14.031 4.444 632 HD13 LEU 82 HD13 LEU 82 -5.221 -14.303 4.909 633 HD21 LEU 82 HD21 LEU 82 -4.046 -12.533 6.352 634 HD22 LEU 82 HD22 LEU 82 -4.978 -11.135 6.889 635 HD23 LEU 82 HD23 LEU 82 -5.352 -12.739 7.519 636 H GLU 83 H GLU 83 -6.674 -11.784 0.947 637 HA GLU 83 HA GLU 83 -8.857 -13.667 1.185 638 HB2 GLU 83 HB2 GLU 83 -7.112 -12.773 -1.113 639 HB3 GLU 83 HB3 GLU 83 -8.283 -14.074 -1.271 640 HG2 GLU 83 HG2 GLU 83 -8.907 -11.232 -0.500 641 HG3 GLU 83 HG3 GLU 83 -9.172 -11.957 -2.086 642 H GLU 84 H GLU 84 -8.559 -15.946 0.636 643 HA GLU 84 HA GLU 84 -6.132 -16.786 2.008 644 HB2 GLU 84 HB2 GLU 84 -8.608 -18.374 1.305 645 HB3 GLU 84 HB3 GLU 84 -7.291 -18.920 2.338 646 HG2 GLU 84 HG2 GLU 84 -7.780 -16.985 3.842 647 HG3 GLU 84 HG3 GLU 84 -9.210 -16.666 2.865 648 H ASN 85 H ASN 85 -6.532 -16.063 -0.956 649 HA ASN 85 HA ASN 85 -5.260 -18.421 -2.112 650 HB2 ASN 85 HB2 ASN 85 -7.072 -17.016 -3.318 651 HB3 ASN 85 HB3 ASN 85 -5.803 -15.822 -3.551 652 HD21 ASN 85 HD21 ASN 85 -4.157 -16.243 -5.019 653 HD22 ASN 85 HD22 ASN 85 -4.231 -17.550 -6.147 654 H HIS 86 H HIS 86 -4.020 -17.071 -0.041 655 HA HIS 86 HA HIS 86 -2.000 -16.308 0.657 656 HB2 HIS 86 HB2 HIS 86 -1.193 -17.145 -2.124 657 HB3 HIS 86 HB3 HIS 86 -0.049 -16.617 -0.898 658 HD1 HIS 86 HD1 HIS 86 0.260 -19.390 -2.032 659 HD2 HIS 86 HD2 HIS 86 -2.038 -18.545 1.334 660 HE1 HIS 86 HE1 HIS 86 0.090 -21.557 -0.759 661 HE2 HIS 86 HE2 HIS 86 -1.159 -20.979 1.353 662 H TYR 87 H TYR 87 -3.716 -14.244 -0.178 663 HA TYR 87 HA TYR 87 -1.688 -12.233 -0.770 664 HB2 TYR 87 HB2 TYR 87 -4.212 -12.574 -2.396 665 HB3 TYR 87 HB3 TYR 87 -3.312 -11.063 -2.347 666 HD1 TYR 87 HD1 TYR 87 -0.832 -11.155 -3.053 667 HD2 TYR 87 HD2 TYR 87 -3.633 -14.234 -3.926 668 HE1 TYR 87 HE1 TYR 87 0.618 -11.949 -4.871 669 HE2 TYR 87 HE2 TYR 87 -2.189 -15.038 -5.746 670 HH TYR 87 HH TYR 87 -0.431 -14.091 -7.245 671 H ASN 88 H ASN 88 -2.181 -10.152 0.023 672 HA ASN 88 HA ASN 88 -4.509 -10.060 1.825 673 HB2 ASN 88 HB2 ASN 88 -3.189 -8.133 2.867 674 HB3 ASN 88 HB3 ASN 88 -2.640 -9.767 3.202 675 HD21 ASN 88 HD21 ASN 88 -1.960 -6.754 1.653 676 HD22 ASN 88 HD22 ASN 88 -0.324 -7.103 1.233 677 H THR 89 H THR 89 -5.822 -8.348 1.831 678 HA THR 89 HA THR 89 -5.533 -6.414 -0.367 679 HB THR 89 HB THR 89 -8.125 -7.612 0.662 680 HG1 THR 89 HG1 THR 89 -6.743 -8.262 -1.755 681 HG21 THR 89 HG21 THR 89 -8.392 -5.445 -0.439 682 HG22 THR 89 HG22 THR 89 -9.019 -6.725 -1.483 683 HG23 THR 89 HG23 THR 89 -7.439 -6.004 -1.815 684 H TYR 90 H TYR 90 -6.872 -4.377 0.104 685 HA TYR 90 HA TYR 90 -7.154 -3.926 3.001 686 HB2 TYR 90 HB2 TYR 90 -6.097 -1.953 0.960 687 HB3 TYR 90 HB3 TYR 90 -6.468 -1.563 2.632 688 HD1 TYR 90 HD1 TYR 90 -5.317 -4.061 3.914 689 HD2 TYR 90 HD2 TYR 90 -3.800 -1.464 0.904 690 HE1 TYR 90 HE1 TYR 90 -3.021 -4.657 4.562 691 HE2 TYR 90 HE2 TYR 90 -1.502 -2.060 1.542 692 HH TYR 90 HH TYR 90 -0.310 -2.925 3.526 693 H ILE 91 H ILE 91 -8.835 -2.557 3.634 694 HA ILE 91 HA ILE 91 -10.729 -1.767 1.525 695 HB ILE 91 HB ILE 91 -11.273 -3.533 3.582 696 HG12 ILE 91 HG12 ILE 91 -13.668 -3.095 3.009 697 HG13 ILE 91 HG13 ILE 91 -13.132 -1.688 2.091 698 HG21 ILE 91 HG21 ILE 91 -11.151 -1.771 5.270 699 HG22 ILE 91 HG22 ILE 91 -12.382 -0.853 4.403 700 HG23 ILE 91 HG23 ILE 91 -12.788 -2.410 5.124 701 HD11 ILE 91 HD11 ILE 91 -13.529 -3.573 0.628 702 HD12 ILE 91 HD12 ILE 91 -11.816 -3.153 0.639 703 HD13 ILE 91 HD13 ILE 91 -12.386 -4.553 1.547 704 H SER 92 H SER 92 -11.706 0.311 1.852 705 HA SER 92 HA SER 92 -9.711 2.083 2.942 706 HB2 SER 92 HB2 SER 92 -10.650 2.446 0.676 707 HB3 SER 92 HB3 SER 92 -12.220 2.760 1.417 708 HG SER 92 HG SER 92 -11.503 4.735 1.452 709 H LYS 93 H LYS 93 -9.780 2.460 4.955 710 HA LYS 93 HA LYS 93 -12.158 2.336 6.541 711 HB2 LYS 93 HB2 LYS 93 -9.311 2.439 6.952 712 HB3 LYS 93 HB3 LYS 93 -10.100 3.641 7.970 713 HG2 LYS 93 HG2 LYS 93 -11.647 1.719 8.664 714 HG3 LYS 93 HG3 LYS 93 -10.406 0.672 7.969 715 HD2 LYS 93 HD2 LYS 93 -8.728 1.822 9.422 716 HD3 LYS 93 HD3 LYS 93 -10.060 2.680 10.197 717 HE2 LYS 93 HE2 LYS 93 -9.540 0.844 11.598 718 HE3 LYS 93 HE3 LYS 93 -11.031 0.417 10.756 719 HZ1 LYS 93 HZ1 LYS 93 -9.474 -1.422 10.805 720 HZ2 LYS 93 HZ2 LYS 93 -8.294 -0.477 10.021 721 HZ3 LYS 93 HZ3 LYS 93 -9.724 -0.899 9.211 722 H LYS 94 H LYS 94 -10.726 4.591 4.586 723 HA LYS 94 HA LYS 94 -11.348 7.036 5.730 724 HB2 LYS 94 HB2 LYS 94 -10.370 6.267 3.317 725 HB3 LYS 94 HB3 LYS 94 -11.989 6.728 2.846 726 HG2 LYS 94 HG2 LYS 94 -9.891 8.449 4.131 727 HG3 LYS 94 HG3 LYS 94 -10.568 8.593 2.505 728 HD2 LYS 94 HD2 LYS 94 -12.196 8.929 5.022 729 HD3 LYS 94 HD3 LYS 94 -11.406 10.268 4.191 730 HE2 LYS 94 HE2 LYS 94 -12.679 9.690 2.148 731 HE3 LYS 94 HE3 LYS 94 -13.519 8.438 3.060 732 HZ1 LYS 94 HZ1 LYS 94 -14.440 10.102 4.503 733 HZ2 LYS 94 HZ2 LYS 94 -14.785 10.521 2.895 734 HZ3 LYS 94 HZ3 LYS 94 -13.555 11.329 3.739 735 H HIS 95 H HIS 95 -13.473 5.854 3.107 736 HA HIS 95 HA HIS 95 -15.575 6.151 5.118 737 HB2 HIS 95 HB2 HIS 95 -17.307 6.332 3.432 738 HB3 HIS 95 HB3 HIS 95 -16.114 7.600 3.292 739 HD1 HIS 95 HD1 HIS 95 -15.954 4.173 1.661 740 HD2 HIS 95 HD2 HIS 95 -16.370 8.181 0.678 741 HE1 HIS 95 HE1 HIS 95 -16.080 4.241 -0.845 742 HE2 HIS 95 HE2 HIS 95 -16.584 6.648 -1.390 743 H ALA 96 H ALA 96 -14.413 4.144 5.799 744 HA ALA 96 HA ALA 96 -14.519 1.691 4.632 745 HB1 ALA 96 HB1 ALA 96 -15.103 2.244 7.539 746 HB2 ALA 96 HB2 ALA 96 -14.546 0.715 6.860 747 HB3 ALA 96 HB3 ALA 96 -13.499 2.134 6.812 748 H GLU 97 H GLU 97 -17.170 3.378 6.147 749 HA GLU 97 HA GLU 97 -18.987 1.291 6.461 750 HB2 GLU 97 HB2 GLU 97 -20.727 3.068 6.397 751 HB3 GLU 97 HB3 GLU 97 -19.381 3.438 7.468 752 HG2 GLU 97 HG2 GLU 97 -18.418 4.900 5.784 753 HG3 GLU 97 HG3 GLU 97 -19.732 4.509 4.675 754 H LYS 98 H LYS 98 -17.982 2.877 3.516 755 HA LYS 98 HA LYS 98 -20.424 2.019 2.144 756 HB2 LYS 98 HB2 LYS 98 -18.086 3.656 1.164 757 HB3 LYS 98 HB3 LYS 98 -19.504 3.264 0.201 758 HG2 LYS 98 HG2 LYS 98 -19.490 4.876 2.746 759 HG3 LYS 98 HG3 LYS 98 -19.630 5.519 1.110 760 HD2 LYS 98 HD2 LYS 98 -21.586 3.643 2.440 761 HD3 LYS 98 HD3 LYS 98 -21.811 5.379 2.223 762 HE2 LYS 98 HE2 LYS 98 -21.680 5.053 -0.225 763 HE3 LYS 98 HE3 LYS 98 -21.554 3.314 0.039 764 HZ1 LYS 98 HZ1 LYS 98 -23.854 5.043 0.780 765 HZ2 LYS 98 HZ2 LYS 98 -23.731 3.397 1.143 766 HZ3 LYS 98 HZ3 LYS 98 -23.817 3.901 -0.474 767 H ASN 99 H ASN 99 -17.384 0.726 2.765 768 HA ASN 99 HA ASN 99 -16.759 -1.420 2.369 769 HB2 ASN 99 HB2 ASN 99 -19.245 -1.840 2.076 770 HB3 ASN 99 HB3 ASN 99 -18.974 -1.699 0.342 771 HD21 ASN 99 HD21 ASN 99 -19.544 -3.815 -0.075 772 HD22 ASN 99 HD22 ASN 99 -18.567 -5.163 0.394 773 H TRP 100 H TRP 100 -15.987 0.980 0.619 774 HA TRP 100 HA TRP 100 -15.364 -0.125 -1.929 775 HB2 TRP 100 HB2 TRP 100 -14.643 2.341 -0.425 776 HB3 TRP 100 HB3 TRP 100 -13.672 1.889 -1.817 777 HD1 TRP 100 HD1 TRP 100 -17.432 1.240 -2.108 778 HE1 TRP 100 HE1 TRP 100 -18.404 2.975 -3.763 779 HE3 TRP 100 HE3 TRP 100 -13.365 4.183 -2.583 780 HZ2 TRP 100 HZ2 TRP 100 -17.493 5.343 -5.101 781 HZ3 TRP 100 HZ3 TRP 100 -13.444 6.161 -4.047 782 HH2 TRP 100 HH2 TRP 100 -15.448 6.741 -5.265 783 H PHE 101 H PHE 101 -13.240 -0.569 -2.729 784 HA PHE 101 HA PHE 101 -11.664 -1.997 -0.708 785 HB2 PHE 101 HB2 PHE 101 -11.700 -2.254 -3.727 786 HB3 PHE 101 HB3 PHE 101 -10.689 -3.203 -2.647 787 HD1 PHE 101 HD1 PHE 101 -14.216 -2.490 -3.545 788 HD2 PHE 101 HD2 PHE 101 -11.484 -5.171 -1.685 789 HE1 PHE 101 HE1 PHE 101 -15.991 -4.185 -3.388 790 HE2 PHE 101 HE2 PHE 101 -13.256 -6.869 -1.521 791 HZ PHE 101 HZ PHE 101 -15.512 -6.378 -2.380 792 H VAL 102 H VAL 102 -9.444 -1.608 -0.474 793 HA VAL 102 HA VAL 102 -8.402 0.619 -2.085 794 HB VAL 102 HB VAL 102 -7.259 -0.665 0.406 795 HG11 VAL 102 HG11 VAL 102 -6.207 1.660 -1.208 796 HG12 VAL 102 HG12 VAL 102 -5.554 1.090 0.328 797 HG13 VAL 102 HG13 VAL 102 -5.472 0.060 -1.102 798 HG21 VAL 102 HG21 VAL 102 -7.734 1.478 1.452 799 HG22 VAL 102 HG22 VAL 102 -8.416 2.076 -0.061 800 HG23 VAL 102 HG23 VAL 102 -9.205 0.756 0.801 801 H GLY 103 H GLY 103 -7.499 -0.010 -3.885 802 HA2 GLY 103 HA3 GLY 103 -5.525 -2.179 -3.729 803 HA3 GLY 103 HA2 GLY 103 -6.658 -2.140 -5.063 804 H LEU 104 H LEU 104 -3.787 -1.953 -5.048 805 HA LEU 104 HA LEU 104 -3.624 0.546 -6.540 806 HB2 LEU 104 HB2 LEU 104 -1.174 0.641 -5.609 807 HB3 LEU 104 HB3 LEU 104 -2.514 1.373 -4.752 808 HG LEU 104 HG LEU 104 -2.630 -0.646 -3.302 809 HD11 LEU 104 HD11 LEU 104 -1.609 -2.274 -4.782 810 HD12 LEU 104 HD12 LEU 104 -0.083 -1.392 -4.730 811 HD13 LEU 104 HD13 LEU 104 -0.704 -2.168 -3.273 812 HD21 LEU 104 HD21 LEU 104 -0.593 -0.096 -2.031 813 HD22 LEU 104 HD22 LEU 104 -0.016 0.841 -3.413 814 HD23 LEU 104 HD23 LEU 104 -1.481 1.335 -2.558 815 H LYS 105 H LYS 105 -2.319 0.504 -8.381 816 HA LYS 105 HA LYS 105 -1.058 -2.095 -8.912 817 HB2 LYS 105 HB2 LYS 105 -1.729 0.312 -10.527 818 HB3 LYS 105 HB3 LYS 105 -0.333 -0.622 -11.027 819 HG2 LYS 105 HG2 LYS 105 -2.969 -1.957 -10.593 820 HG3 LYS 105 HG3 LYS 105 -2.629 -1.090 -12.094 821 HD2 LYS 105 HD2 LYS 105 -0.390 -2.550 -11.917 822 HD3 LYS 105 HD3 LYS 105 -1.499 -3.622 -11.058 823 HE2 LYS 105 HE2 LYS 105 -1.925 -2.495 -13.824 824 HE3 LYS 105 HE3 LYS 105 -1.395 -4.134 -13.455 825 HZ1 LYS 105 HZ1 LYS 105 -3.978 -2.987 -12.547 826 HZ2 LYS 105 HZ2 LYS 105 -3.474 -4.605 -12.431 827 HZ3 LYS 105 HZ3 LYS 105 -3.795 -3.920 -13.950 828 H LYS 106 H LYS 106 0.687 -2.178 -7.514 829 HA LYS 106 HA LYS 106 2.594 -0.063 -7.588 830 HB2 LYS 106 HB2 LYS 106 2.889 -1.407 -5.718 831 HB3 LYS 106 HB3 LYS 106 2.680 -2.911 -6.618 832 HG2 LYS 106 HG2 LYS 106 4.979 -1.562 -7.587 833 HG3 LYS 106 HG3 LYS 106 5.046 -1.585 -5.830 834 HD2 LYS 106 HD2 LYS 106 6.167 -3.536 -6.569 835 HD3 LYS 106 HD3 LYS 106 4.603 -4.069 -5.958 836 HE2 LYS 106 HE2 LYS 106 3.751 -4.219 -8.234 837 HE3 LYS 106 HE3 LYS 106 5.286 -3.634 -8.872 838 HZ1 LYS 106 HZ1 LYS 106 6.320 -5.627 -7.781 839 HZ2 LYS 106 HZ2 LYS 106 5.310 -5.956 -9.091 840 HZ3 LYS 106 HZ3 LYS 106 4.751 -6.219 -7.515 841 H ASN 107 H ASN 107 1.630 -2.660 -9.592 842 HA ASN 107 HA ASN 107 4.041 -2.875 -11.084 843 HB2 ASN 107 HB2 ASN 107 1.181 -3.471 -11.890 844 HB3 ASN 107 HB3 ASN 107 2.615 -4.017 -12.754 845 HD21 ASN 107 HD21 ASN 107 0.386 -5.416 -11.532 846 HD22 ASN 107 HD22 ASN 107 1.081 -6.550 -10.424 847 H GLY 108 H GLY 108 1.486 -0.615 -10.896 848 HA2 GLY 108 HA3 GLY 108 2.716 0.883 -13.113 849 HA3 GLY 108 HA2 GLY 108 0.975 0.894 -12.861 850 H SER 109 H SER 109 0.205 1.582 -10.932 851 HA SER 109 HA SER 109 1.520 3.755 -9.575 852 HB2 SER 109 HB2 SER 109 -0.361 5.302 -10.375 853 HB3 SER 109 HB3 SER 109 0.866 4.917 -11.582 854 HG SER 109 HG SER 109 -0.613 3.213 -12.289 855 H CYS 110 H CYS 110 -0.116 4.652 -7.950 856 HA CYS 110 HA CYS 110 -1.462 2.440 -6.771 857 HB2 CYS 110 HB2 CYS 110 -0.656 5.127 -6.088 858 HB3 CYS 110 HB3 CYS 110 -2.278 4.788 -5.471 859 HG CYS 110 HG CYS 110 0.695 3.678 -4.452 860 H LYS 111 H LYS 111 -3.859 2.310 -6.416 861 HA LYS 111 HA LYS 111 -4.729 2.933 -9.142 862 HB2 LYS 111 HB2 LYS 111 -3.969 0.493 -8.378 863 HB3 LYS 111 HB3 LYS 111 -5.645 0.424 -7.847 864 HG2 LYS 111 HG2 LYS 111 -5.529 -0.467 -10.055 865 HG3 LYS 111 HG3 LYS 111 -6.331 1.105 -10.141 866 HD2 LYS 111 HD2 LYS 111 -4.068 2.084 -10.701 867 HD3 LYS 111 HD3 LYS 111 -3.494 0.428 -10.891 868 HE2 LYS 111 HE2 LYS 111 -4.058 1.171 -13.056 869 HE3 LYS 111 HE3 LYS 111 -5.375 0.112 -12.554 870 HZ1 LYS 111 HZ1 LYS 111 -5.389 3.081 -12.492 871 HZ2 LYS 111 HZ2 LYS 111 -6.649 2.093 -11.934 872 HZ3 LYS 111 HZ3 LYS 111 -6.244 2.096 -13.580 873 H ARG 112 H ARG 112 -6.831 3.235 -9.497 874 HA ARG 112 HA ARG 112 -7.783 4.708 -7.240 875 HB2 ARG 112 HB2 ARG 112 -8.941 5.013 -9.974 876 HB3 ARG 112 HB3 ARG 112 -8.523 6.253 -8.793 877 HG2 ARG 112 HG2 ARG 112 -6.175 4.820 -9.717 878 HG3 ARG 112 HG3 ARG 112 -7.073 5.553 -11.053 879 HD2 ARG 112 HD2 ARG 112 -6.385 7.101 -8.580 880 HD3 ARG 112 HD3 ARG 112 -5.246 6.941 -9.917 881 HE ARG 112 HE ARG 112 -7.906 8.222 -10.102 882 HH11 ARG 112 HH12 ARG 112 -4.617 7.782 -11.224 883 HH12 ARG 112 HH11 ARG 112 -4.670 9.104 -12.346 884 HH21 ARG 112 HH22 ARG 112 -7.992 9.970 -11.573 885 HH22 ARG 112 HH21 ARG 112 -6.604 10.355 -12.549 886 H GLY 113 H GLY 113 -10.194 5.050 -7.178 887 HA2 GLY 113 HA3 GLY 113 -11.185 2.602 -6.210 888 HA3 GLY 113 HA2 GLY 113 -12.069 4.122 -6.291 889 HA PRO 114 HA PRO 114 -14.122 2.798 -10.270 890 HB2 PRO 114 HB2 PRO 114 -11.615 3.140 -11.870 891 HB3 PRO 114 HB3 PRO 114 -13.288 3.513 -12.308 892 HG2 PRO 114 HG2 PRO 114 -11.647 5.449 -11.544 893 HG3 PRO 114 HG3 PRO 114 -13.337 5.437 -11.010 894 HD2 PRO 114 HD2 PRO 114 -10.865 4.812 -9.487 895 HD3 PRO 114 HD3 PRO 114 -12.404 5.493 -8.920 896 H ARG 115 H ARG 115 -10.880 1.455 -9.536 897 HA ARG 115 HA ARG 115 -11.833 -1.071 -10.705 898 HB2 ARG 115 HB2 ARG 115 -9.013 -0.001 -10.615 899 HB3 ARG 115 HB3 ARG 115 -9.433 -1.639 -11.095 900 HG2 ARG 115 HG2 ARG 115 -10.282 0.899 -12.471 901 HG3 ARG 115 HG3 ARG 115 -9.079 -0.257 -13.043 902 HD2 ARG 115 HD2 ARG 115 -10.815 -1.982 -13.192 903 HD3 ARG 115 HD3 ARG 115 -12.015 -0.821 -12.624 904 HE ARG 115 HE ARG 115 -10.765 0.273 -14.864 905 HH11 ARG 115 HH12 ARG 115 -12.876 -2.412 -14.074 906 HH12 ARG 115 HH11 ARG 115 -13.592 -2.476 -15.660 907 HH21 ARG 115 HH22 ARG 115 -11.709 0.195 -16.939 908 HH22 ARG 115 HH21 ARG 115 -12.925 -1.001 -17.286 909 H THR 116 H THR 116 -11.342 0.427 -7.858 910 HA THR 116 HA THR 116 -10.107 -1.765 -6.473 911 HB THR 116 HB THR 116 -10.657 -0.534 -4.435 912 HG1 THR 116 HG1 THR 116 -11.635 1.468 -4.552 913 HG21 THR 116 HG21 THR 116 -9.311 1.123 -6.561 914 HG22 THR 116 HG22 THR 116 -8.543 -0.124 -5.577 915 HG23 THR 116 HG23 THR 116 -9.140 1.353 -4.821 916 H HIS 117 H HIS 117 -11.193 -3.490 -6.587 917 HA HIS 117 HA HIS 117 -13.576 -4.325 -5.562 918 HB2 HIS 117 HB2 HIS 117 -14.360 -2.365 -7.185 919 HB3 HIS 117 HB3 HIS 117 -14.033 -3.535 -8.451 920 HD1 HIS 117 HD1 HIS 117 -16.081 -4.652 -9.201 921 HD2 HIS 117 HD2 HIS 117 -16.255 -3.678 -5.158 922 HE1 HIS 117 HE1 HIS 117 -18.374 -5.346 -8.429 923 HE2 HIS 117 HE2 HIS 117 -18.529 -4.553 -6.042 924 H TYR 118 H TYR 118 -14.211 -6.434 -7.249 925 HA TYR 118 HA TYR 118 -11.550 -7.257 -8.096 926 HB2 TYR 118 HB2 TYR 118 -13.306 -8.848 -7.120 927 HB3 TYR 118 HB3 TYR 118 -14.155 -8.701 -8.655 928 HD1 TYR 118 HD2 TYR 118 -13.124 -9.583 -10.724 929 HD2 TYR 118 HD1 TYR 118 -11.364 -10.231 -6.904 930 HE1 TYR 118 HE2 TYR 118 -11.747 -11.385 -11.669 931 HE2 TYR 118 HE1 TYR 118 -9.978 -12.030 -7.843 932 HH TYR 118 HH TYR 118 -9.497 -12.470 -11.100 933 H GLY 119 H GLY 119 -11.377 -5.428 -9.369 934 HA2 GLY 119 HA3 GLY 119 -12.421 -5.738 -12.093 935 HA3 GLY 119 HA2 GLY 119 -11.755 -4.246 -11.429 936 H GLN 120 H GLN 120 -9.690 -5.494 -10.026 937 HA GLN 120 HA GLN 120 -7.862 -6.280 -12.176 938 HB2 GLN 120 HB2 GLN 120 -7.839 -3.762 -10.553 939 HB3 GLN 120 HB3 GLN 120 -6.278 -4.534 -10.900 940 HG2 GLN 120 HG2 GLN 120 -6.882 -4.494 -13.316 941 HG3 GLN 120 HG3 GLN 120 -8.323 -3.571 -12.888 942 HE21 GLN 120 HE21 GLN 120 -7.657 -1.825 -14.124 943 HE22 GLN 120 HE22 GLN 120 -6.366 -0.783 -13.622 944 H LYS 121 H LYS 121 -5.968 -7.368 -11.446 945 HA LYS 121 HA LYS 121 -6.346 -8.692 -8.879 946 HB2 LYS 121 HB2 LYS 121 -4.139 -9.164 -10.901 947 HB3 LYS 121 HB3 LYS 121 -4.599 -10.218 -9.572 948 HG2 LYS 121 HG2 LYS 121 -6.183 -9.624 -12.061 949 HG3 LYS 121 HG3 LYS 121 -5.448 -11.158 -11.593 950 HD2 LYS 121 HD2 LYS 121 -7.628 -9.782 -10.028 951 HD3 LYS 121 HD3 LYS 121 -7.926 -11.025 -11.242 952 HE2 LYS 121 HE2 LYS 121 -6.241 -11.386 -8.765 953 HE3 LYS 121 HE3 LYS 121 -7.918 -11.905 -8.932 954 HZ1 LYS 121 HZ1 LYS 121 -5.563 -12.909 -10.427 955 HZ2 LYS 121 HZ2 LYS 121 -7.161 -13.278 -10.853 956 HZ3 LYS 121 HZ3 LYS 121 -6.548 -13.773 -9.347 957 H ALA 122 H ALA 122 -5.079 -5.895 -9.761 958 HA ALA 122 HA ALA 122 -2.717 -5.918 -8.111 959 HB1 ALA 122 HB1 ALA 122 -2.771 -4.477 -10.042 960 HB2 ALA 122 HB2 ALA 122 -4.205 -3.652 -9.425 961 HB3 ALA 122 HB3 ALA 122 -2.666 -3.504 -8.576 962 H ILE 123 H ILE 123 -5.942 -5.987 -7.514 963 HA ILE 123 HA ILE 123 -5.907 -4.416 -5.084 964 HB ILE 123 HB ILE 123 -7.938 -6.533 -5.819 965 HG12 ILE 123 HG12 ILE 123 -7.687 -5.010 -7.741 966 HG13 ILE 123 HG13 ILE 123 -9.253 -4.819 -6.961 967 HG21 ILE 123 HG21 ILE 123 -8.063 -5.642 -3.548 968 HG22 ILE 123 HG22 ILE 123 -8.161 -4.002 -4.190 969 HG23 ILE 123 HG23 ILE 123 -9.464 -5.150 -4.500 970 HD11 ILE 123 HD11 ILE 123 -8.316 -2.680 -7.603 971 HD12 ILE 123 HD12 ILE 123 -8.449 -2.803 -5.850 972 HD13 ILE 123 HD13 ILE 123 -6.880 -2.998 -6.631 973 H LEU 124 H LEU 124 -4.536 -7.208 -6.097 974 HA LEU 124 HA LEU 124 -4.484 -8.367 -3.393 975 HB2 LEU 124 HB2 LEU 124 -3.834 -9.597 -6.078 976 HB3 LEU 124 HB3 LEU 124 -3.482 -10.377 -4.550 977 HG LEU 124 HG LEU 124 -5.982 -10.238 -4.060 978 HD11 LEU 124 HD11 LEU 124 -7.468 -10.080 -5.980 979 HD12 LEU 124 HD12 LEU 124 -6.567 -8.581 -5.756 980 HD13 LEU 124 HD13 LEU 124 -6.097 -9.712 -7.025 981 HD21 LEU 124 HD21 LEU 124 -4.856 -12.310 -4.648 982 HD22 LEU 124 HD22 LEU 124 -6.463 -12.241 -5.372 983 HD23 LEU 124 HD23 LEU 124 -5.036 -11.935 -6.362 984 H PHE 125 H PHE 125 -2.793 -7.763 -2.236 985 HA PHE 125 HA PHE 125 -0.229 -7.384 -3.648 986 HB2 PHE 125 HB2 PHE 125 -0.139 -5.762 -1.351 987 HB3 PHE 125 HB3 PHE 125 -0.155 -5.246 -3.033 988 HD1 PHE 125 HD2 PHE 125 -2.237 -4.540 -4.089 989 HD2 PHE 125 HD1 PHE 125 -2.078 -5.600 0.025 990 HE1 PHE 125 HE2 PHE 125 -4.406 -3.446 -3.725 991 HE2 PHE 125 HE1 PHE 125 -4.251 -4.513 0.395 992 HZ PHE 125 HZ PHE 125 -5.411 -3.422 -1.486 993 H LEU 126 H LEU 126 1.649 -7.524 -2.274 994 HA LEU 126 HA LEU 126 1.362 -9.174 0.118 995 HB2 LEU 126 HB2 LEU 126 3.234 -9.681 -2.202 996 HB3 LEU 126 HB3 LEU 126 3.417 -10.430 -0.628 997 HG LEU 126 HG LEU 126 1.037 -10.789 -2.453 998 HD11 LEU 126 HD11 LEU 126 3.311 -12.662 -1.802 999 HD12 LEU 126 HD12 LEU 126 1.902 -13.044 -2.790 1000 HD13 LEU 126 HD13 LEU 126 3.063 -11.835 -3.339 1001 HD21 LEU 126 HD21 LEU 126 0.464 -10.972 -0.085 1002 HD22 LEU 126 HD22 LEU 126 0.390 -12.545 -0.881 1003 HD23 LEU 126 HD23 LEU 126 1.765 -12.140 0.146 1004 HA PRO 127 HA PRO 127 4.463 -6.174 1.266 1005 HB2 PRO 127 HB2 PRO 127 4.044 -6.444 3.929 1006 HB3 PRO 127 HB3 PRO 127 2.883 -5.653 2.860 1007 HG2 PRO 127 HG2 PRO 127 2.627 -8.186 4.268 1008 HG3 PRO 127 HG3 PRO 127 1.392 -7.280 3.379 1009 HD2 PRO 127 HD2 PRO 127 3.054 -9.549 2.491 1010 HD3 PRO 127 HD3 PRO 127 1.528 -8.936 1.815 1011 H LEU 128 H LEU 128 6.514 -6.886 0.864 1012 HA LEU 128 HA LEU 128 7.627 -8.862 2.740 1013 HB2 LEU 128 HB2 LEU 128 9.334 -9.347 1.007 1014 HB3 LEU 128 HB3 LEU 128 7.704 -9.766 0.526 1015 HG LEU 128 HG LEU 128 7.887 -7.295 -0.561 1016 HD11 LEU 128 HD11 LEU 128 10.088 -7.093 -1.633 1017 HD12 LEU 128 HD12 LEU 128 10.186 -6.945 0.122 1018 HD13 LEU 128 HD13 LEU 128 10.672 -8.447 -0.666 1019 HD21 LEU 128 HD21 LEU 128 8.319 -8.428 -2.680 1020 HD22 LEU 128 HD22 LEU 128 8.849 -9.867 -1.809 1021 HD23 LEU 128 HD23 LEU 128 7.172 -9.333 -1.694 1022 HA PRO 129 HA PRO 129 9.889 -5.343 4.111 1023 HB2 PRO 129 HB2 PRO 129 11.018 -6.451 6.263 1024 HB3 PRO 129 HB3 PRO 129 9.273 -6.194 6.166 1025 HG2 PRO 129 HG2 PRO 129 10.841 -8.708 5.824 1026 HG3 PRO 129 HG3 PRO 129 9.256 -8.465 6.579 1027 HD2 PRO 129 HD2 PRO 129 9.712 -9.389 3.981 1028 HD3 PRO 129 HD3 PRO 129 8.175 -8.767 4.609 1029 H VAL 130 H VAL 130 12.101 -4.634 4.549 1030 HA VAL 130 HA VAL 130 13.745 -5.453 2.409 1031 HB VAL 130 HB VAL 130 13.945 -3.224 2.901 1032 HG11 VAL 130 HG11 VAL 130 14.427 -3.918 5.794 1033 HG12 VAL 130 HG12 VAL 130 14.438 -2.288 5.119 1034 HG13 VAL 130 HG13 VAL 130 12.950 -3.234 5.114 1035 HG21 VAL 130 HG21 VAL 130 16.371 -4.484 4.159 1036 HG22 VAL 130 HG22 VAL 130 16.137 -4.124 2.449 1037 HG23 VAL 130 HG23 VAL 130 16.263 -2.808 3.618 1038 H SER 131 H SER 131 15.576 -6.506 2.264 1039 HA SER 131 HA SER 131 15.887 -8.685 4.118 1040 HB2 SER 131 HB2 SER 131 17.531 -8.108 1.650 1041 HB3 SER 131 HB3 SER 131 17.247 -9.669 2.419 1042 HG SER 131 HG SER 131 14.936 -9.228 1.911 1043 H SER 132 H SER 132 17.929 -9.352 5.040 1044 HA SER 132 HA SER 132 19.711 -7.189 5.776 1045 HB2 SER 132 HB2 SER 132 19.947 -10.139 6.440 1046 HB3 SER 132 HB3 SER 132 20.717 -8.793 7.278 1047 HG SER 132 HG SER 132 18.442 -9.909 7.883 1048 H ASP 133 H ASP 133 20.497 -6.762 3.670 1049 HA ASP 133 HA ASP 133 22.208 -8.790 2.440 1050 HB2 ASP 133 HB2 ASP 133 20.622 -7.696 0.947 1051 HB3 ASP 133 HB3 ASP 133 21.216 -6.113 1.432 Start of MODEL 12 1 H1 TYR 1 H1 TYR 1 18.182 -7.731 7.799 2 H2 TYR 1 H2 TYR 1 17.306 -6.735 6.747 3 H3 TYR 1 H3 TYR 1 16.643 -8.205 7.269 4 HA TYR 1 HA TYR 1 16.591 -7.393 9.539 5 HB2 TYR 1 HB2 TYR 1 18.492 -5.717 9.007 6 HB3 TYR 1 HB3 TYR 1 17.209 -4.698 8.344 7 HD1 TYR 1 HD1 TYR 1 15.553 -3.668 9.820 8 HD2 TYR 1 HD2 TYR 1 18.695 -6.074 11.389 9 HE1 TYR 1 HE1 TYR 1 15.090 -2.797 12.074 10 HE2 TYR 1 HE2 TYR 1 18.240 -5.208 13.642 11 HH TYR 1 HH TYR 1 15.433 -3.552 14.443 12 H LYS 2 H LYS 2 14.370 -7.816 9.319 13 HA LYS 2 HA LYS 2 12.892 -6.028 7.570 14 HB2 LYS 2 HB2 LYS 2 10.921 -7.371 8.069 15 HB3 LYS 2 HB3 LYS 2 12.250 -8.386 7.545 16 HG2 LYS 2 HG2 LYS 2 11.605 -7.991 10.449 17 HG3 LYS 2 HG3 LYS 2 10.807 -9.216 9.464 18 HD2 LYS 2 HD2 LYS 2 13.095 -10.080 8.878 19 HD3 LYS 2 HD3 LYS 2 13.741 -8.983 10.100 20 HE2 LYS 2 HE2 LYS 2 13.468 -11.188 11.045 21 HE3 LYS 2 HE3 LYS 2 12.322 -10.074 11.792 22 HZ1 LYS 2 HZ1 LYS 2 11.350 -12.246 11.198 23 HZ2 LYS 2 HZ2 LYS 2 11.653 -11.922 9.564 24 HZ3 LYS 2 HZ3 LYS 2 10.571 -10.948 10.434 25 H LYS 3 H LYS 3 11.654 -4.445 8.163 26 HA LYS 3 HA LYS 3 10.599 -4.042 10.760 27 HB2 LYS 3 HB2 LYS 3 12.988 -3.332 11.087 28 HB3 LYS 3 HB3 LYS 3 12.754 -2.116 9.843 29 HG2 LYS 3 HG2 LYS 3 11.075 -1.014 11.232 30 HG3 LYS 3 HG3 LYS 3 11.312 -2.241 12.484 31 HD2 LYS 3 HD2 LYS 3 13.710 -1.593 12.584 32 HD3 LYS 3 HD3 LYS 3 13.372 -0.294 11.442 33 HE2 LYS 3 HE2 LYS 3 11.822 0.713 13.034 34 HE3 LYS 3 HE3 LYS 3 12.127 -0.603 14.169 35 HZ1 LYS 3 HZ1 LYS 3 14.490 0.072 14.176 36 HZ2 LYS 3 HZ2 LYS 3 13.460 1.269 14.786 37 HZ3 LYS 3 HZ3 LYS 3 14.091 1.414 13.218 38 HA PRO 4 HA PRO 4 8.910 -1.263 7.348 39 HB2 PRO 4 HB2 PRO 4 10.636 -0.502 5.308 40 HB3 PRO 4 HB3 PRO 4 10.292 0.452 6.751 41 HG2 PRO 4 HG2 PRO 4 12.760 -0.764 6.033 42 HG3 PRO 4 HG3 PRO 4 12.377 0.090 7.536 43 HD2 PRO 4 HD2 PRO 4 12.422 -2.826 6.974 44 HD3 PRO 4 HD3 PRO 4 12.721 -1.959 8.495 45 H LYS 5 H LYS 5 7.650 -2.146 5.831 46 HA LYS 5 HA LYS 5 8.638 -4.456 4.342 47 HB2 LYS 5 HB2 LYS 5 5.835 -3.354 4.682 48 HB3 LYS 5 HB3 LYS 5 6.234 -4.777 3.734 49 HG2 LYS 5 HG2 LYS 5 7.094 -5.855 5.794 50 HG3 LYS 5 HG3 LYS 5 6.547 -4.450 6.713 51 HD2 LYS 5 HD2 LYS 5 4.256 -4.853 6.033 52 HD3 LYS 5 HD3 LYS 5 4.766 -6.187 5.000 53 HE2 LYS 5 HE2 LYS 5 3.880 -7.145 6.982 54 HE3 LYS 5 HE3 LYS 5 5.630 -7.327 7.062 55 HZ1 LYS 5 HZ1 LYS 5 5.770 -5.534 8.606 56 HZ2 LYS 5 HZ2 LYS 5 4.571 -6.595 9.165 57 HZ3 LYS 5 HZ3 LYS 5 4.131 -5.146 8.410 58 H LEU 6 H LEU 6 8.365 -4.615 2.096 59 HA LEU 6 HA LEU 6 8.302 -2.059 0.667 60 HB2 LEU 6 HB2 LEU 6 10.313 -3.273 0.267 61 HB3 LEU 6 HB3 LEU 6 9.457 -4.779 0.060 62 HG LEU 6 HG LEU 6 10.511 -3.745 -1.998 63 HD11 LEU 6 HD11 LEU 6 8.899 -5.546 -2.138 64 HD12 LEU 6 HD12 LEU 6 7.571 -4.387 -2.074 65 HD13 LEU 6 HD13 LEU 6 8.667 -4.397 -3.456 66 HD21 LEU 6 HD21 LEU 6 8.132 -1.909 -1.843 67 HD22 LEU 6 HD22 LEU 6 9.811 -1.433 -1.589 68 HD23 LEU 6 HD23 LEU 6 9.292 -2.025 -3.166 69 H LEU 7 H LEU 7 6.719 -1.634 -0.782 70 HA LEU 7 HA LEU 7 4.461 -3.482 -0.811 71 HB2 LEU 7 HB2 LEU 7 3.907 -1.256 -0.153 72 HB3 LEU 7 HB3 LEU 7 4.768 -0.565 -1.520 73 HG LEU 7 HG LEU 7 2.473 -2.344 -2.200 74 HD11 LEU 7 HD11 LEU 7 1.581 -1.125 -0.281 75 HD12 LEU 7 HD12 LEU 7 2.121 0.400 -0.984 76 HD13 LEU 7 HD13 LEU 7 0.862 -0.540 -1.782 77 HD21 LEU 7 HD21 LEU 7 3.370 0.369 -3.187 78 HD22 LEU 7 HD22 LEU 7 3.809 -1.177 -3.910 79 HD23 LEU 7 HD23 LEU 7 2.126 -0.649 -3.914 80 H TYR 8 H TYR 8 4.647 -4.982 -2.492 81 HA TYR 8 HA TYR 8 4.296 -3.545 -5.018 82 HB2 TYR 8 HB2 TYR 8 5.120 -5.482 -6.204 83 HB3 TYR 8 HB3 TYR 8 6.368 -4.765 -5.215 84 HD1 TYR 8 HD2 TYR 8 6.776 -6.016 -2.915 85 HD2 TYR 8 HD1 TYR 8 4.772 -7.714 -6.258 86 HE1 TYR 8 HE2 TYR 8 7.265 -8.272 -2.064 87 HE2 TYR 8 HE1 TYR 8 5.254 -9.965 -5.419 88 HH TYR 8 HH TYR 8 6.726 -11.107 -3.975 89 H CYS 9 H CYS 9 2.008 -3.498 -5.099 90 HA CYS 9 HA CYS 9 0.913 -6.238 -5.028 91 HB2 CYS 9 HB2 CYS 9 -0.688 -3.791 -4.398 92 HB3 CYS 9 HB3 CYS 9 -0.980 -5.463 -3.918 93 HG CYS 9 HG CYS 9 -0.277 -3.967 -1.643 94 H SER 10 H SER 10 1.621 -5.707 -7.463 95 HA SER 10 HA SER 10 -1.006 -6.605 -8.300 96 HB2 SER 10 HB2 SER 10 1.145 -5.611 -10.221 97 HB3 SER 10 HB3 SER 10 -0.494 -6.120 -10.631 98 HG SER 10 HG SER 10 -0.791 -4.208 -8.883 99 H ASN 11 H ASN 11 -0.547 -8.981 -9.186 100 HA ASN 11 HA ASN 11 2.085 -9.719 -8.204 101 HB2 ASN 11 HB2 ASN 11 0.110 -11.291 -8.078 102 HB3 ASN 11 HB3 ASN 11 0.229 -11.478 -9.825 103 HD21 ASN 11 HD21 ASN 11 0.649 -13.685 -9.590 104 HD22 ASN 11 HD22 ASN 11 2.186 -14.269 -9.061 105 H GLY 12 H GLY 12 3.571 -8.750 -9.302 106 HA2 GLY 12 HA3 GLY 12 4.206 -9.596 -11.991 107 HA3 GLY 12 HA2 GLY 12 3.885 -7.872 -11.820 108 H GLY 13 H GLY 13 5.696 -6.744 -11.693 109 HA2 GLY 13 HA3 GLY 13 7.215 -7.058 -9.285 110 HA3 GLY 13 HA2 GLY 13 8.175 -7.412 -10.712 111 H HIS 14 H HIS 14 6.205 -4.943 -9.188 112 HA HIS 14 HA HIS 14 8.189 -2.959 -9.939 113 HB2 HIS 14 HB2 HIS 14 5.246 -2.773 -10.355 114 HB3 HIS 14 HB3 HIS 14 6.058 -1.339 -9.733 115 HD1 HIS 14 HD1 HIS 14 6.191 -3.678 -12.736 116 HD2 HIS 14 HD2 HIS 14 7.347 0.154 -11.604 117 HE1 HIS 14 HE1 HIS 14 7.046 -2.576 -14.828 118 HE2 HIS 14 HE2 HIS 14 7.662 -0.234 -14.138 119 H PHE 15 H PHE 15 8.021 -1.045 -8.259 120 HA PHE 15 HA PHE 15 7.119 -2.042 -5.661 121 HB2 PHE 15 HB2 PHE 15 9.903 -0.921 -6.085 122 HB3 PHE 15 HB3 PHE 15 9.246 -1.610 -4.607 123 HD1 PHE 15 HD2 PHE 15 8.383 -4.126 -4.925 124 HD2 PHE 15 HD1 PHE 15 11.350 -2.208 -7.292 125 HE1 PHE 15 HE2 PHE 15 9.299 -6.322 -5.547 126 HE2 PHE 15 HE1 PHE 15 12.267 -4.399 -7.926 127 HZ PHE 15 HZ PHE 15 11.244 -6.461 -7.051 128 H LEU 16 H LEU 16 6.399 -0.310 -4.351 129 HA LEU 16 HA LEU 16 6.049 2.126 -5.740 130 HB2 LEU 16 HB2 LEU 16 4.264 2.305 -4.431 131 HB3 LEU 16 HB3 LEU 16 4.725 0.804 -3.654 132 HG LEU 16 HG LEU 16 6.223 2.353 -2.163 133 HD11 LEU 16 HD11 LEU 16 5.855 4.410 -3.409 134 HD12 LEU 16 HD12 LEU 16 4.128 4.312 -3.069 135 HD13 LEU 16 HD13 LEU 16 5.273 4.551 -1.750 136 HD21 LEU 16 HD21 LEU 16 3.232 2.236 -1.866 137 HD22 LEU 16 HD22 LEU 16 4.384 1.013 -1.330 138 HD23 LEU 16 HD23 LEU 16 4.379 2.608 -0.578 139 H ARG 17 H ARG 17 6.723 3.944 -5.364 140 HA ARG 17 HA ARG 17 8.970 4.439 -3.550 141 HB2 ARG 17 HB2 ARG 17 8.766 4.724 -6.520 142 HB3 ARG 17 HB3 ARG 17 9.710 5.918 -5.633 143 HG2 ARG 17 HG2 ARG 17 11.239 4.275 -4.893 144 HG3 ARG 17 HG3 ARG 17 10.182 2.959 -5.418 145 HD2 ARG 17 HD2 ARG 17 12.252 3.776 -6.873 146 HD3 ARG 17 HD3 ARG 17 10.764 3.183 -7.609 147 HE ARG 17 HE ARG 17 10.108 5.490 -7.970 148 HH11 ARG 17 HH12 ARG 17 13.465 4.963 -7.104 149 HH12 ARG 17 HH11 ARG 17 14.015 6.448 -7.811 150 HH21 ARG 17 HH22 ARG 17 10.823 7.433 -8.908 151 HH22 ARG 17 HH21 ARG 17 12.506 7.866 -8.839 152 H ILE 18 H ILE 18 8.975 6.608 -2.720 153 HA ILE 18 HA ILE 18 6.591 8.114 -3.404 154 HB ILE 18 HB ILE 18 7.181 9.604 -1.583 155 HG12 ILE 18 HG12 ILE 18 9.094 8.375 -0.062 156 HG13 ILE 18 HG13 ILE 18 9.733 8.144 -1.686 157 HG21 ILE 18 HG21 ILE 18 5.814 7.656 -1.137 158 HG22 ILE 18 HG22 ILE 18 7.258 6.692 -0.825 159 HG23 ILE 18 HG23 ILE 18 6.835 8.022 0.253 160 HD11 ILE 18 HD11 ILE 18 8.981 10.783 -0.449 161 HD12 ILE 18 HD12 ILE 18 10.618 10.159 -0.655 162 HD13 ILE 18 HD13 ILE 18 9.638 10.549 -2.069 163 H LEU 19 H LEU 19 6.547 9.841 -4.567 164 HA LEU 19 HA LEU 19 9.057 11.220 -5.237 165 HB2 LEU 19 HB2 LEU 19 6.390 11.202 -6.675 166 HB3 LEU 19 HB3 LEU 19 7.781 12.160 -7.154 167 HG LEU 19 HG LEU 19 7.646 9.142 -7.129 168 HD11 LEU 19 HD11 LEU 19 7.712 11.092 -9.424 169 HD12 LEU 19 HD12 LEU 19 7.729 9.333 -9.550 170 HD13 LEU 19 HD13 LEU 19 6.310 10.158 -8.904 171 HD21 LEU 19 HD21 LEU 19 9.836 10.997 -8.057 172 HD22 LEU 19 HD22 LEU 19 9.884 9.980 -6.618 173 HD23 LEU 19 HD23 LEU 19 9.825 9.240 -8.217 174 HA PRO 20 HA PRO 20 7.665 14.576 -2.797 175 HB2 PRO 20 HB2 PRO 20 8.440 16.741 -4.242 176 HB3 PRO 20 HB3 PRO 20 9.558 15.752 -3.300 177 HG2 PRO 20 HG2 PRO 20 9.063 15.828 -6.228 178 HG3 PRO 20 HG3 PRO 20 10.565 15.500 -5.350 179 HD2 PRO 20 HD2 PRO 20 9.011 13.574 -6.533 180 HD3 PRO 20 HD3 PRO 20 10.111 13.273 -5.175 181 H ASP 21 H ASP 21 6.312 13.985 -5.703 182 HA ASP 21 HA ASP 21 4.457 16.186 -5.832 183 HB2 ASP 21 HB2 ASP 21 5.097 14.952 -7.868 184 HB3 ASP 21 HB3 ASP 21 4.391 13.484 -7.199 185 H GLY 22 H GLY 22 4.699 13.117 -4.298 186 HA2 GLY 22 HA3 GLY 22 3.396 12.558 -2.388 187 HA3 GLY 22 HA2 GLY 22 2.095 13.555 -3.021 188 H THR 23 H THR 23 3.918 11.099 -4.796 189 HA THR 23 HA THR 23 1.402 9.703 -5.298 190 HB THR 23 HB THR 23 3.849 9.115 -6.819 191 HG1 THR 23 HG1 THR 23 3.159 11.097 -8.161 192 HG21 THR 23 HG21 THR 23 0.986 9.633 -7.607 193 HG22 THR 23 HG22 THR 23 1.733 8.053 -7.376 194 HG23 THR 23 HG23 THR 23 2.259 9.092 -8.699 195 H VAL 24 H VAL 24 1.205 7.595 -4.668 196 HA VAL 24 HA VAL 24 3.648 6.148 -3.885 197 HB VAL 24 HB VAL 24 2.053 5.857 -2.169 198 HG11 VAL 24 HG11 VAL 24 -0.319 5.342 -2.614 199 HG12 VAL 24 HG12 VAL 24 0.190 6.898 -3.272 200 HG13 VAL 24 HG13 VAL 24 0.012 5.509 -4.340 201 HG21 VAL 24 HG21 VAL 24 1.242 3.546 -2.303 202 HG22 VAL 24 HG22 VAL 24 1.591 3.527 -4.031 203 HG23 VAL 24 HG23 VAL 24 2.908 3.679 -2.868 204 H ASP 25 H ASP 25 4.531 5.477 -5.747 205 HA ASP 25 HA ASP 25 2.837 3.849 -7.497 206 HB2 ASP 25 HB2 ASP 25 3.634 4.874 -9.517 207 HB3 ASP 25 HB3 ASP 25 3.061 6.160 -8.466 208 H GLY 26 H GLY 26 3.747 2.201 -8.702 209 HA2 GLY 26 HA3 GLY 26 6.322 1.467 -7.541 210 HA3 GLY 26 HA2 GLY 26 5.293 0.415 -8.470 211 H THR 27 H THR 27 8.030 1.332 -8.406 212 HA THR 27 HA THR 27 8.600 1.222 -11.238 213 HB THR 27 HB THR 27 9.754 3.244 -9.296 214 HG1 THR 27 HG1 THR 27 7.920 4.079 -10.224 215 HG21 THR 27 HG21 THR 27 11.252 3.932 -11.099 216 HG22 THR 27 HG22 THR 27 10.628 2.629 -12.112 217 HG23 THR 27 HG23 THR 27 11.519 2.248 -10.636 218 H ARG 28 H ARG 28 10.686 -0.134 -11.441 219 HA ARG 28 HA ARG 28 11.021 -1.362 -8.807 220 HB2 ARG 28 HB2 ARG 28 12.269 -2.092 -11.460 221 HB3 ARG 28 HB3 ARG 28 12.588 -2.926 -9.950 222 HG2 ARG 28 HG2 ARG 28 10.205 -3.503 -9.810 223 HG3 ARG 28 HG3 ARG 28 9.970 -2.765 -11.398 224 HD2 ARG 28 HD2 ARG 28 11.870 -5.033 -10.801 225 HD3 ARG 28 HD3 ARG 28 10.268 -5.219 -11.515 226 HE ARG 28 HE ARG 28 12.207 -3.496 -12.878 227 HH11 ARG 28 HH12 ARG 28 10.442 -6.515 -12.766 228 HH12 ARG 28 HH11 ARG 28 10.736 -6.897 -14.435 229 HH21 ARG 28 HH22 ARG 28 12.603 -3.987 -15.045 230 HH22 ARG 28 HH21 ARG 28 11.972 -5.452 -15.739 231 H ASP 29 H ASP 29 12.076 -0.013 -7.600 232 HA ASP 29 HA ASP 29 14.957 -0.294 -7.943 233 HB2 ASP 29 HB2 ASP 29 13.551 2.264 -7.132 234 HB3 ASP 29 HB3 ASP 29 15.221 1.936 -6.698 235 H ARG 30 H ARG 30 15.236 -1.819 -6.326 236 HA ARG 30 HA ARG 30 14.364 -0.872 -3.683 237 HB2 ARG 30 HB2 ARG 30 14.465 -3.266 -2.931 238 HB3 ARG 30 HB3 ARG 30 13.162 -2.860 -4.037 239 HG2 ARG 30 HG2 ARG 30 13.922 -4.906 -4.829 240 HG3 ARG 30 HG3 ARG 30 14.770 -3.756 -5.866 241 HD2 ARG 30 HD2 ARG 30 16.754 -3.940 -4.464 242 HD3 ARG 30 HD3 ARG 30 15.907 -5.052 -3.392 243 HE ARG 30 HE ARG 30 16.437 -5.695 -6.225 244 HH11 ARG 30 HH12 ARG 30 16.424 -6.530 -2.826 245 HH12 ARG 30 HH11 ARG 30 17.065 -8.123 -3.074 246 HH21 ARG 30 HH22 ARG 30 17.272 -7.805 -6.569 247 HH22 ARG 30 HH21 ARG 30 17.525 -8.858 -5.205 248 H SER 31 H SER 31 16.795 -0.920 -5.631 249 HA SER 31 HA SER 31 18.810 -1.218 -3.543 250 HB2 SER 31 HB2 SER 31 19.124 -0.498 -6.474 251 HB3 SER 31 HB3 SER 31 20.434 -0.830 -5.342 252 HG SER 31 HG SER 31 18.697 -2.583 -6.633 253 H ASP 32 H ASP 32 16.545 0.829 -3.903 254 HA ASP 32 HA ASP 32 18.179 3.248 -3.776 255 HB2 ASP 32 HB2 ASP 32 16.710 3.187 -5.764 256 HB3 ASP 32 HB3 ASP 32 15.320 2.872 -4.738 257 H GLN 33 H GLN 33 16.549 4.928 -2.616 258 HA GLN 33 HA GLN 33 16.097 3.686 0.008 259 HB2 GLN 33 HB2 GLN 33 17.179 6.253 -0.972 260 HB3 GLN 33 HB3 GLN 33 16.490 6.201 0.652 261 HG2 GLN 33 HG2 GLN 33 18.114 4.679 1.386 262 HG3 GLN 33 HG3 GLN 33 18.580 4.253 -0.261 263 HE21 GLN 33 HE21 GLN 33 18.565 7.050 -1.116 264 HE22 GLN 33 HE22 GLN 33 20.010 7.752 -0.474 265 H HIS 34 H HIS 34 13.950 3.813 -2.014 266 HA HIS 34 HA HIS 34 12.246 5.860 -0.745 267 HB2 HIS 34 HB2 HIS 34 12.441 5.062 -3.632 268 HB3 HIS 34 HB3 HIS 34 10.995 5.838 -3.002 269 HD1 HIS 34 HD1 HIS 34 11.000 8.279 -3.372 270 HD2 HIS 34 HD2 HIS 34 14.854 6.784 -2.904 271 HE1 HIS 34 HE1 HIS 34 12.528 10.249 -3.647 272 HE2 HIS 34 HE2 HIS 34 14.842 9.270 -3.614 273 H ILE 35 H ILE 35 12.570 2.536 -1.198 274 HA ILE 35 HA ILE 35 9.744 1.982 -1.473 275 HB ILE 35 HB ILE 35 10.476 -0.385 -1.386 276 HG12 ILE 35 HG12 ILE 35 13.282 0.715 -1.440 277 HG13 ILE 35 HG13 ILE 35 12.505 0.223 0.059 278 HG21 ILE 35 HG21 ILE 35 10.255 0.751 -3.503 279 HG22 ILE 35 HG22 ILE 35 11.875 1.430 -3.342 280 HG23 ILE 35 HG23 ILE 35 11.664 -0.309 -3.549 281 HD11 ILE 35 HD11 ILE 35 13.076 -1.517 -2.317 282 HD12 ILE 35 HD12 ILE 35 13.903 -1.538 -0.760 283 HD13 ILE 35 HD13 ILE 35 12.214 -2.029 -0.866 284 H GLN 36 H GLN 36 11.451 2.777 1.321 285 HA GLN 36 HA GLN 36 10.587 0.385 2.762 286 HB2 GLN 36 HB2 GLN 36 12.028 1.068 4.573 287 HB3 GLN 36 HB3 GLN 36 12.909 1.134 3.057 288 HG2 GLN 36 HG2 GLN 36 11.646 3.581 4.260 289 HG3 GLN 36 HG3 GLN 36 13.265 3.032 4.719 290 HE21 GLN 36 HE21 GLN 36 11.294 4.424 2.242 291 HE22 GLN 36 HE22 GLN 36 12.594 4.917 1.209 292 H LEU 37 H LEU 37 8.500 0.498 3.231 293 HA LEU 37 HA LEU 37 7.640 2.785 4.872 294 HB2 LEU 37 HB2 LEU 37 5.332 2.200 4.211 295 HB3 LEU 37 HB3 LEU 37 6.337 2.710 2.872 296 HG LEU 37 HG LEU 37 6.671 0.079 2.605 297 HD11 LEU 37 HD11 LEU 37 5.330 -0.529 4.536 298 HD12 LEU 37 HD12 LEU 37 3.942 0.328 3.863 299 HD13 LEU 37 HD13 LEU 37 4.577 -1.102 3.048 300 HD21 LEU 37 HD21 LEU 37 5.856 1.574 0.882 301 HD22 LEU 37 HD22 LEU 37 4.853 0.125 0.958 302 HD23 LEU 37 HD23 LEU 37 4.271 1.636 1.655 303 H GLN 38 H GLN 38 6.426 2.337 6.746 304 HA GLN 38 HA GLN 38 7.101 -0.296 7.840 305 HB2 GLN 38 HB2 GLN 38 7.722 2.062 8.858 306 HB3 GLN 38 HB3 GLN 38 6.069 2.012 9.458 307 HG2 GLN 38 HG2 GLN 38 8.233 0.010 10.053 308 HG3 GLN 38 HG3 GLN 38 7.649 1.268 11.138 309 HE21 GLN 38 HE21 GLN 38 7.105 -1.868 9.851 310 HE22 GLN 38 HE22 GLN 38 5.702 -2.249 10.795 311 H LEU 39 H LEU 39 5.498 -1.723 7.599 312 HA LEU 39 HA LEU 39 2.735 -0.720 7.546 313 HB2 LEU 39 HB2 LEU 39 4.157 -2.215 5.664 314 HB3 LEU 39 HB3 LEU 39 3.099 -3.376 6.448 315 HG LEU 39 HG LEU 39 2.231 -0.825 5.097 316 HD11 LEU 39 HD11 LEU 39 1.944 -3.708 4.289 317 HD12 LEU 39 HD12 LEU 39 1.205 -2.333 3.467 318 HD13 LEU 39 HD13 LEU 39 2.961 -2.490 3.516 319 HD21 LEU 39 HD21 LEU 39 0.769 -1.310 6.949 320 HD22 LEU 39 HD22 LEU 39 -0.050 -1.686 5.432 321 HD23 LEU 39 HD23 LEU 39 0.606 -2.987 6.427 322 H SER 40 H SER 40 2.141 -0.963 9.658 323 HA SER 40 HA SER 40 2.338 -3.682 10.775 324 HB2 SER 40 HB2 SER 40 2.109 -1.040 12.225 325 HB3 SER 40 HB3 SER 40 2.085 -2.619 13.006 326 HG SER 40 HG SER 40 4.206 -1.172 12.026 327 H ALA 41 H ALA 41 0.506 -4.257 12.281 328 HA ALA 41 HA ALA 41 -2.038 -3.013 11.430 329 HB1 ALA 41 HB1 ALA 41 -1.925 -5.369 10.816 330 HB2 ALA 41 HB2 ALA 41 -1.541 -5.809 12.481 331 HB3 ALA 41 HB3 ALA 41 -3.120 -5.128 12.091 332 H GLU 42 H GLU 42 -2.510 -1.523 12.946 333 HA GLU 42 HA GLU 42 -1.237 -1.903 15.548 334 HB2 GLU 42 HB2 GLU 42 -2.135 0.606 14.132 335 HB3 GLU 42 HB3 GLU 42 -1.421 0.573 15.739 336 HG2 GLU 42 HG2 GLU 42 0.573 -0.566 14.707 337 HG3 GLU 42 HG3 GLU 42 -0.134 -0.208 13.131 338 H SER 43 H SER 43 -4.398 -0.952 14.185 339 HA SER 43 HA SER 43 -5.448 -1.358 16.907 340 HB2 SER 43 HB2 SER 43 -6.811 0.126 14.656 341 HB3 SER 43 HB3 SER 43 -7.282 0.084 16.355 342 HG SER 43 HG SER 43 -4.759 0.893 16.237 343 H VAL 44 H VAL 44 -7.810 -2.231 16.812 344 HA VAL 44 HA VAL 44 -7.648 -4.754 15.518 345 HB VAL 44 HB VAL 44 -10.104 -3.422 16.696 346 HG11 VAL 44 HG11 VAL 44 -10.656 -5.294 15.224 347 HG12 VAL 44 HG12 VAL 44 -9.534 -6.329 16.108 348 HG13 VAL 44 HG13 VAL 44 -10.976 -5.704 16.909 349 HG21 VAL 44 HG21 VAL 44 -8.121 -5.307 17.967 350 HG22 VAL 44 HG22 VAL 44 -8.315 -3.595 18.342 351 HG23 VAL 44 HG23 VAL 44 -9.613 -4.731 18.711 352 H GLY 45 H GLY 45 -7.811 -5.011 13.393 353 HA2 GLY 45 HA3 GLY 45 -9.247 -5.249 11.520 354 HA3 GLY 45 HA2 GLY 45 -10.167 -3.862 12.085 355 H GLU 46 H GLU 46 -7.585 -2.338 12.554 356 HA GLU 46 HA GLU 46 -7.314 -1.597 9.753 357 HB2 GLU 46 HB2 GLU 46 -6.272 0.551 10.905 358 HB3 GLU 46 HB3 GLU 46 -7.991 0.378 10.592 359 HG2 GLU 46 HG2 GLU 46 -7.101 -0.697 13.157 360 HG3 GLU 46 HG3 GLU 46 -6.896 1.045 12.969 361 H VAL 47 H VAL 47 -5.500 -1.177 8.775 362 HA VAL 47 HA VAL 47 -3.002 -1.912 10.141 363 HB VAL 47 HB VAL 47 -2.097 -2.523 7.909 364 HG11 VAL 47 HG11 VAL 47 -2.819 -4.244 9.461 365 HG12 VAL 47 HG12 VAL 47 -4.470 -4.129 8.852 366 HG13 VAL 47 HG13 VAL 47 -3.182 -4.724 7.803 367 HG21 VAL 47 HG21 VAL 47 -4.986 -2.371 7.043 368 HG22 VAL 47 HG22 VAL 47 -3.677 -1.320 6.499 369 HG23 VAL 47 HG23 VAL 47 -3.660 -3.035 6.088 370 H TYR 48 H TYR 48 -1.181 -0.627 9.655 371 HA TYR 48 HA TYR 48 -1.983 1.988 8.557 372 HB2 TYR 48 HB2 TYR 48 -0.515 1.269 11.031 373 HB3 TYR 48 HB3 TYR 48 0.068 2.674 10.149 374 HD1 TYR 48 HD2 TYR 48 -2.757 1.272 12.039 375 HD2 TYR 48 HD1 TYR 48 -1.201 4.702 10.065 376 HE1 TYR 48 HE2 TYR 48 -4.479 2.661 13.110 377 HE2 TYR 48 HE1 TYR 48 -2.911 6.109 11.129 378 HH TYR 48 HH TYR 48 -4.911 4.908 13.703 379 H ILE 49 H ILE 49 -0.989 2.538 6.844 380 HA ILE 49 HA ILE 49 1.618 1.410 6.188 381 HB ILE 49 HB ILE 49 -0.286 3.026 4.463 382 HG12 ILE 49 HG12 ILE 49 0.261 0.043 4.601 383 HG13 ILE 49 HG13 ILE 49 -1.247 0.855 5.008 384 HG21 ILE 49 HG21 ILE 49 1.166 2.228 2.607 385 HG22 ILE 49 HG22 ILE 49 2.024 3.265 3.747 386 HG23 ILE 49 HG23 ILE 49 2.257 1.518 3.798 387 HD11 ILE 49 HD11 ILE 49 -0.008 0.703 2.269 388 HD12 ILE 49 HD12 ILE 49 -1.382 -0.240 2.849 389 HD13 ILE 49 HD13 ILE 49 -1.523 1.509 2.676 390 H LYS 50 H LYS 50 3.142 2.555 7.128 391 HA LYS 50 HA LYS 50 2.892 5.484 7.118 392 HB2 LYS 50 HB2 LYS 50 3.824 5.610 9.307 393 HB3 LYS 50 HB3 LYS 50 2.559 4.391 9.382 394 HG2 LYS 50 HG2 LYS 50 4.221 2.634 9.268 395 HG3 LYS 50 HG3 LYS 50 5.502 3.831 9.110 396 HD2 LYS 50 HD2 LYS 50 5.600 3.279 11.354 397 HD3 LYS 50 HD3 LYS 50 4.608 4.735 11.364 398 HE2 LYS 50 HE2 LYS 50 3.371 2.004 11.243 399 HE3 LYS 50 HE3 LYS 50 3.857 2.717 12.779 400 HZ1 LYS 50 HZ1 LYS 50 1.554 3.170 12.387 401 HZ2 LYS 50 HZ2 LYS 50 1.884 3.828 10.861 402 HZ3 LYS 50 HZ3 LYS 50 2.417 4.628 12.255 403 H SER 51 H SER 51 4.858 6.644 6.893 404 HA SER 51 HA SER 51 6.886 5.325 5.374 405 HB2 SER 51 HB2 SER 51 6.973 8.098 6.572 406 HB3 SER 51 HB3 SER 51 7.817 7.515 5.143 407 HG SER 51 HG SER 51 5.035 7.372 5.102 408 H THR 52 H THR 52 8.754 4.541 6.113 409 HA THR 52 HA THR 52 9.580 4.940 8.816 410 HB THR 52 HB THR 52 11.343 4.098 6.501 411 HG1 THR 52 HG1 THR 52 9.740 2.356 8.082 412 HG21 THR 52 HG21 THR 52 11.335 3.391 9.433 413 HG22 THR 52 HG22 THR 52 12.463 4.484 8.632 414 HG23 THR 52 HG23 THR 52 12.464 2.767 8.232 415 H GLU 53 H GLU 53 12.015 5.602 6.443 416 HA GLU 53 HA GLU 53 11.853 8.432 7.164 417 HB2 GLU 53 HB2 GLU 53 13.920 6.786 5.744 418 HB3 GLU 53 HB3 GLU 53 13.949 8.542 5.649 419 HG2 GLU 53 HG2 GLU 53 13.989 6.971 8.213 420 HG3 GLU 53 HG3 GLU 53 15.420 7.610 7.402 421 H THR 54 H THR 54 11.898 6.437 4.245 422 HA THR 54 HA THR 54 10.729 8.661 2.730 423 HB THR 54 HB THR 54 11.913 6.604 1.091 424 HG1 THR 54 HG1 THR 54 14.014 6.814 1.802 425 HG21 THR 54 HG21 THR 54 12.538 9.539 1.465 426 HG22 THR 54 HG22 THR 54 11.357 8.881 0.333 427 HG23 THR 54 HG23 THR 54 13.072 8.529 0.122 428 H GLY 55 H GLY 55 8.983 6.608 4.163 429 HA2 GLY 55 HA3 GLY 55 8.842 4.558 2.109 430 HA3 GLY 55 HA2 GLY 55 8.228 4.418 3.733 431 H GLN 56 H GLN 56 6.325 6.699 3.615 432 HA GLN 56 HA GLN 56 5.507 7.724 1.384 433 HB2 GLN 56 HB2 GLN 56 3.972 6.503 0.093 434 HB3 GLN 56 HB3 GLN 56 5.335 5.433 0.366 435 HG2 GLN 56 HG2 GLN 56 3.533 4.038 0.648 436 HG3 GLN 56 HG3 GLN 56 3.898 4.514 2.311 437 HE21 GLN 56 HE21 GLN 56 2.529 6.623 -0.047 438 HE22 GLN 56 HE22 GLN 56 1.004 6.821 0.726 439 H TYR 57 H TYR 57 3.614 8.969 1.463 440 HA TYR 57 HA TYR 57 2.196 8.815 4.032 441 HB2 TYR 57 HB2 TYR 57 3.115 10.983 3.853 442 HB3 TYR 57 HB3 TYR 57 2.682 11.125 2.162 443 HD1 TYR 57 HD1 TYR 57 0.561 10.146 5.079 444 HD2 TYR 57 HD2 TYR 57 1.332 13.007 2.025 445 HE1 TYR 57 HE1 TYR 57 -1.505 11.332 5.673 446 HE2 TYR 57 HE2 TYR 57 -0.729 14.207 2.621 447 HH TYR 57 HH TYR 57 -2.425 13.649 5.469 448 H LEU 58 H LEU 58 0.758 7.140 3.299 449 HA LEU 58 HA LEU 58 -0.625 7.683 0.869 450 HB2 LEU 58 HB2 LEU 58 -0.324 5.404 2.381 451 HB3 LEU 58 HB3 LEU 58 -2.035 5.784 2.537 452 HG LEU 58 HG LEU 58 -0.695 5.797 -0.137 453 HD11 LEU 58 HD11 LEU 58 -1.940 3.409 1.236 454 HD12 LEU 58 HD12 LEU 58 -1.438 3.474 -0.453 455 HD13 LEU 58 HD13 LEU 58 -0.235 3.604 0.829 456 HD21 LEU 58 HD21 LEU 58 -3.543 5.297 0.719 457 HD22 LEU 58 HD22 LEU 58 -2.909 6.818 0.092 458 HD23 LEU 58 HD23 LEU 58 -2.949 5.388 -0.939 459 H ALA 59 H ALA 59 -1.837 9.138 0.633 460 HA ALA 59 HA ALA 59 -3.806 9.911 2.636 461 HB1 ALA 59 HB1 ALA 59 -2.271 11.689 1.856 462 HB2 ALA 59 HB2 ALA 59 -2.824 11.420 0.204 463 HB3 ALA 59 HB3 ALA 59 -3.950 12.022 1.422 464 H MET 60 H MET 60 -5.698 8.997 2.301 465 HA MET 60 HA MET 60 -6.485 7.950 -0.226 466 HB2 MET 60 HB2 MET 60 -8.570 7.458 0.957 467 HB3 MET 60 HB3 MET 60 -7.217 7.169 2.058 468 HG2 MET 60 HG2 MET 60 -7.583 9.505 2.930 469 HG3 MET 60 HG3 MET 60 -9.088 9.522 2.019 470 HE1 MET 60 HE1 MET 60 -10.330 10.147 4.314 471 HE2 MET 60 HE2 MET 60 -10.176 9.186 5.785 472 HE3 MET 60 HE3 MET 60 -8.782 10.067 5.157 473 H ASP 61 H ASP 61 -7.657 8.891 -1.869 474 HA ASP 61 HA ASP 61 -8.538 11.676 -1.459 475 HB2 ASP 61 HB2 ASP 61 -6.932 11.213 -3.332 476 HB3 ASP 61 HB3 ASP 61 -8.169 10.191 -4.055 477 H THR 62 H THR 62 -10.325 10.876 -0.329 478 HA THR 62 HA THR 62 -12.410 10.417 0.069 479 HB THR 62 HB THR 62 -14.076 10.410 -1.573 480 HG1 THR 62 HG1 THR 62 -12.083 10.290 -3.599 481 HG21 THR 62 HG21 THR 62 -13.677 12.504 -2.783 482 HG22 THR 62 HG22 THR 62 -11.967 12.388 -2.370 483 HG23 THR 62 HG23 THR 62 -13.171 12.591 -1.097 484 H ASP 63 H ASP 63 -11.684 8.478 -2.780 485 HA ASP 63 HA ASP 63 -10.573 6.306 -1.481 486 HB2 ASP 63 HB2 ASP 63 -13.109 6.408 -0.702 487 HB3 ASP 63 HB3 ASP 63 -13.334 5.465 -2.171 488 H GLY 64 H GLY 64 -10.839 7.907 -4.059 489 HA2 GLY 64 HA3 GLY 64 -11.510 5.783 -5.987 490 HA3 GLY 64 HA2 GLY 64 -11.554 7.505 -6.326 491 H LEU 65 H LEU 65 -8.937 7.675 -4.824 492 HA LEU 65 HA LEU 65 -7.037 6.234 -6.415 493 HB2 LEU 65 HB2 LEU 65 -7.532 7.965 -8.011 494 HB3 LEU 65 HB3 LEU 65 -7.375 9.216 -6.792 495 HG LEU 65 HG LEU 65 -4.990 7.520 -7.385 496 HD11 LEU 65 HD11 LEU 65 -4.391 8.980 -9.258 497 HD12 LEU 65 HD12 LEU 65 -5.856 8.055 -9.593 498 HD13 LEU 65 HD13 LEU 65 -5.970 9.758 -9.150 499 HD21 LEU 65 HD21 LEU 65 -4.902 9.218 -5.621 500 HD22 LEU 65 HD22 LEU 65 -3.823 9.624 -6.956 501 HD23 LEU 65 HD23 LEU 65 -5.369 10.456 -6.787 502 H LEU 66 H LEU 66 -5.333 5.836 -5.142 503 HA LEU 66 HA LEU 66 -5.232 7.378 -2.656 504 HB2 LEU 66 HB2 LEU 66 -4.009 4.700 -3.163 505 HB3 LEU 66 HB3 LEU 66 -4.426 5.433 -1.629 506 HG LEU 66 HG LEU 66 -6.054 3.912 -1.831 507 HD11 LEU 66 HD11 LEU 66 -8.090 4.897 -2.032 508 HD12 LEU 66 HD12 LEU 66 -7.026 6.292 -1.845 509 HD13 LEU 66 HD13 LEU 66 -7.594 5.819 -3.456 510 HD21 LEU 66 HD21 LEU 66 -5.981 4.259 -4.785 511 HD22 LEU 66 HD22 LEU 66 -5.625 2.821 -3.841 512 HD23 LEU 66 HD23 LEU 66 -7.293 3.381 -3.998 513 H TYR 67 H TYR 67 -3.599 8.709 -2.356 514 HA TYR 67 HA TYR 67 -1.119 8.173 -3.905 515 HB2 TYR 67 HB2 TYR 67 -0.873 10.583 -4.342 516 HB3 TYR 67 HB3 TYR 67 -2.353 9.940 -5.041 517 HD1 TYR 67 HD1 TYR 67 -4.544 10.472 -3.989 518 HD2 TYR 67 HD2 TYR 67 -0.931 12.304 -2.685 519 HE1 TYR 67 HE1 TYR 67 -5.847 12.209 -2.837 520 HE2 TYR 67 HE2 TYR 67 -2.225 14.050 -1.536 521 HH TYR 67 HH TYR 67 -4.456 15.073 -1.640 522 H GLY 68 H GLY 68 0.899 8.992 -2.924 523 HA2 GLY 68 HA3 GLY 68 0.726 9.955 -0.231 524 HA3 GLY 68 HA2 GLY 68 1.050 8.241 -0.301 525 H SER 69 H SER 69 2.600 10.856 0.511 526 HA SER 69 HA SER 69 5.055 9.556 -0.378 527 HB2 SER 69 HB2 SER 69 4.635 11.301 -2.031 528 HB3 SER 69 HB3 SER 69 4.664 12.505 -0.742 529 HG SER 69 HG SER 69 6.679 11.939 -2.085 530 H GLN 70 H GLN 70 3.987 12.232 1.780 531 HA GLN 70 HA GLN 70 6.757 12.432 2.643 532 HB2 GLN 70 HB2 GLN 70 5.899 14.462 3.897 533 HB3 GLN 70 HB3 GLN 70 5.864 14.512 2.140 534 HG2 GLN 70 HG2 GLN 70 3.481 13.983 2.176 535 HG3 GLN 70 HG3 GLN 70 3.521 13.917 3.938 536 HE21 GLN 70 HE21 GLN 70 3.646 15.972 1.135 537 HE22 GLN 70 HE22 GLN 70 3.382 17.467 1.979 538 H THR 71 H THR 71 3.726 11.648 4.194 539 HA THR 71 HA THR 71 5.079 11.413 6.806 540 HB THR 71 HB THR 71 2.718 12.290 7.609 541 HG1 THR 71 HG1 THR 71 1.643 13.448 6.139 542 HG21 THR 71 HG21 THR 71 4.841 14.120 6.489 543 HG22 THR 71 HG22 THR 71 4.855 13.386 8.093 544 HG23 THR 71 HG23 THR 71 3.616 14.571 7.676 545 HA PRO 72 HA PRO 72 1.567 8.429 7.093 546 HB2 PRO 72 HB2 PRO 72 1.963 7.401 9.514 547 HB3 PRO 72 HB3 PRO 72 3.121 7.110 8.208 548 HG2 PRO 72 HG2 PRO 72 3.458 8.740 10.630 549 HG3 PRO 72 HG3 PRO 72 4.690 8.156 9.500 550 HD2 PRO 72 HD2 PRO 72 3.326 10.775 9.577 551 HD3 PRO 72 HD3 PRO 72 4.819 10.309 8.724 552 H ASN 73 H ASN 73 -0.385 9.651 7.236 553 HA ASN 73 HA ASN 73 -1.075 10.829 9.852 554 HB2 ASN 73 HB2 ASN 73 -2.178 11.247 7.067 555 HB3 ASN 73 HB3 ASN 73 -3.098 11.708 8.498 556 HD21 ASN 73 HD21 ASN 73 -2.443 13.464 9.708 557 HD22 ASN 73 HD22 ASN 73 -1.226 14.572 9.172 558 H GLU 74 H GLU 74 -3.731 10.217 10.296 559 HA GLU 74 HA GLU 74 -3.900 7.729 8.750 560 HB2 GLU 74 HB2 GLU 74 -6.020 7.281 9.947 561 HB3 GLU 74 HB3 GLU 74 -4.664 7.450 11.049 562 HG2 GLU 74 HG2 GLU 74 -6.470 9.762 10.462 563 HG3 GLU 74 HG3 GLU 74 -6.909 8.537 11.649 564 H GLU 75 H GLU 75 -3.929 8.582 6.968 565 HA GLU 75 HA GLU 75 -6.610 9.112 5.940 566 HB2 GLU 75 HB2 GLU 75 -3.914 9.826 4.747 567 HB3 GLU 75 HB3 GLU 75 -5.443 9.963 3.891 568 HG2 GLU 75 HG2 GLU 75 -4.786 11.472 6.405 569 HG3 GLU 75 HG3 GLU 75 -4.542 12.106 4.777 570 H CYS 76 H CYS 76 -3.549 7.496 6.124 571 HA CYS 76 HA CYS 76 -3.994 5.835 3.833 572 HB2 CYS 76 HB2 CYS 76 -1.846 4.782 4.581 573 HB3 CYS 76 HB3 CYS 76 -1.756 6.530 4.385 574 HG CYS 76 HG CYS 76 -0.282 5.470 6.647 575 H LEU 77 H LEU 77 -5.396 5.600 6.813 576 HA LEU 77 HA LEU 77 -4.667 2.959 7.532 577 HB2 LEU 77 HB2 LEU 77 -6.193 3.088 9.333 578 HB3 LEU 77 HB3 LEU 77 -5.403 4.642 9.207 579 HG LEU 77 HG LEU 77 -7.581 5.314 7.887 580 HD11 LEU 77 HD11 LEU 77 -9.569 4.178 8.742 581 HD12 LEU 77 HD12 LEU 77 -8.551 3.066 7.827 582 HD13 LEU 77 HD13 LEU 77 -8.548 3.017 9.589 583 HD21 LEU 77 HD21 LEU 77 -7.494 4.922 10.870 584 HD22 LEU 77 HD22 LEU 77 -6.832 6.294 9.982 585 HD23 LEU 77 HD23 LEU 77 -8.574 6.018 10.008 586 H PHE 78 H PHE 78 -5.411 1.145 6.867 587 HA PHE 78 HA PHE 78 -7.845 1.147 5.290 588 HB2 PHE 78 HB2 PHE 78 -5.321 -0.449 4.773 589 HB3 PHE 78 HB3 PHE 78 -6.784 -0.493 3.811 590 HD1 PHE 78 HD2 PHE 78 -7.400 2.444 3.742 591 HD2 PHE 78 HD1 PHE 78 -3.757 0.315 3.213 592 HE1 PHE 78 HE2 PHE 78 -6.542 4.264 2.322 593 HE2 PHE 78 HE1 PHE 78 -2.895 2.129 1.796 594 HZ PHE 78 HZ PHE 78 -4.280 4.180 1.440 595 H LEU 79 H LEU 79 -8.829 -1.028 5.163 596 HA LEU 79 HA LEU 79 -8.742 -2.354 7.761 597 HB2 LEU 79 HB2 LEU 79 -10.841 -1.520 6.311 598 HB3 LEU 79 HB3 LEU 79 -10.681 -3.130 5.647 599 HG LEU 79 HG LEU 79 -10.976 -2.606 8.601 600 HD11 LEU 79 HD11 LEU 79 -13.109 -3.248 6.570 601 HD12 LEU 79 HD12 LEU 79 -13.333 -3.192 8.318 602 HD13 LEU 79 HD13 LEU 79 -12.921 -1.722 7.434 603 HD21 LEU 79 HD21 LEU 79 -11.409 -5.084 6.936 604 HD22 LEU 79 HD22 LEU 79 -10.026 -4.780 7.988 605 HD23 LEU 79 HD23 LEU 79 -11.641 -4.947 8.679 606 H GLU 80 H GLU 80 -8.235 -4.535 7.981 607 HA GLU 80 HA GLU 80 -6.504 -5.432 5.804 608 HB2 GLU 80 HB2 GLU 80 -5.638 -7.040 7.552 609 HB3 GLU 80 HB3 GLU 80 -5.387 -5.335 7.895 610 HG2 GLU 80 HG2 GLU 80 -6.382 -5.578 9.847 611 HG3 GLU 80 HG3 GLU 80 -7.867 -6.079 9.038 612 H ARG 81 H ARG 81 -6.847 -7.127 4.570 613 HA ARG 81 HA ARG 81 -8.895 -9.098 5.344 614 HB2 ARG 81 HB2 ARG 81 -9.871 -7.642 3.657 615 HB3 ARG 81 HB3 ARG 81 -8.467 -7.841 2.623 616 HG2 ARG 81 HG2 ARG 81 -10.188 -9.174 1.710 617 HG3 ARG 81 HG3 ARG 81 -9.044 -10.279 2.471 618 HD2 ARG 81 HD2 ARG 81 -11.438 -9.299 3.979 619 HD3 ARG 81 HD3 ARG 81 -11.597 -10.618 2.822 620 HE ARG 81 HE ARG 81 -9.939 -11.838 4.185 621 HH11 ARG 81 HH12 ARG 81 -11.675 -9.159 5.613 622 HH12 ARG 81 HH11 ARG 81 -11.545 -9.758 7.236 623 HH21 ARG 81 HH22 ARG 81 -9.767 -12.650 6.336 624 HH22 ARG 81 HH21 ARG 81 -10.453 -11.738 7.649 625 H LEU 82 H LEU 82 -8.179 -11.152 5.239 626 HA LEU 82 HA LEU 82 -5.616 -11.636 3.925 627 HB2 LEU 82 HB2 LEU 82 -7.218 -13.310 5.853 628 HB3 LEU 82 HB3 LEU 82 -5.729 -13.846 5.096 629 HG LEU 82 HG LEU 82 -5.990 -11.466 6.933 630 HD11 LEU 82 HD11 LEU 82 -4.771 -12.823 8.538 631 HD12 LEU 82 HD12 LEU 82 -6.283 -13.608 8.084 632 HD13 LEU 82 HD13 LEU 82 -4.757 -14.175 7.407 633 HD21 LEU 82 HD21 LEU 82 -3.561 -12.746 5.682 634 HD22 LEU 82 HD22 LEU 82 -4.226 -11.163 5.282 635 HD23 LEU 82 HD23 LEU 82 -3.538 -11.453 6.880 636 H GLU 83 H GLU 83 -5.472 -12.605 2.056 637 HA GLU 83 HA GLU 83 -7.813 -13.878 0.856 638 HB2 GLU 83 HB2 GLU 83 -5.903 -12.232 -0.185 639 HB3 GLU 83 HB3 GLU 83 -5.233 -13.798 -0.603 640 HG2 GLU 83 HG2 GLU 83 -8.041 -12.984 -1.289 641 HG3 GLU 83 HG3 GLU 83 -6.665 -12.687 -2.346 642 H GLU 84 H GLU 84 -7.416 -16.036 -0.249 643 HA GLU 84 HA GLU 84 -6.262 -17.716 1.842 644 HB2 GLU 84 HB2 GLU 84 -7.597 -19.507 0.889 645 HB3 GLU 84 HB3 GLU 84 -8.595 -18.081 1.134 646 HG2 GLU 84 HG2 GLU 84 -8.169 -17.547 -1.307 647 HG3 GLU 84 HG3 GLU 84 -7.527 -19.182 -1.442 648 H ASN 85 H ASN 85 -5.471 -16.634 -1.270 649 HA ASN 85 HA ASN 85 -3.645 -18.861 -1.719 650 HB2 ASN 85 HB2 ASN 85 -4.198 -16.404 -3.403 651 HB3 ASN 85 HB3 ASN 85 -3.084 -17.692 -3.847 652 HD21 ASN 85 HD21 ASN 85 -6.396 -16.742 -3.523 653 HD22 ASN 85 HD22 ASN 85 -7.075 -18.117 -4.338 654 H HIS 86 H HIS 86 -3.366 -17.260 0.535 655 HA HIS 86 HA HIS 86 -1.941 -16.021 1.777 656 HB2 HIS 86 HB2 HIS 86 -0.090 -17.493 -0.058 657 HB3 HIS 86 HB3 HIS 86 0.551 -16.346 1.117 658 HD1 HIS 86 HD1 HIS 86 0.414 -16.985 3.606 659 HD2 HIS 86 HD2 HIS 86 -1.178 -19.836 1.034 660 HE1 HIS 86 HE1 HIS 86 0.067 -19.046 5.009 661 HE2 HIS 86 HE2 HIS 86 -1.105 -20.674 3.476 662 H TYR 87 H TYR 87 -3.191 -14.533 -0.231 663 HA TYR 87 HA TYR 87 -1.144 -12.481 -0.740 664 HB2 TYR 87 HB2 TYR 87 -3.911 -12.840 -1.919 665 HB3 TYR 87 HB3 TYR 87 -2.914 -11.418 -2.186 666 HD1 TYR 87 HD1 TYR 87 -0.544 -11.880 -3.214 667 HD2 TYR 87 HD2 TYR 87 -3.809 -14.598 -3.417 668 HE1 TYR 87 HE1 TYR 87 0.487 -12.963 -5.170 669 HE2 TYR 87 HE2 TYR 87 -2.788 -15.693 -5.366 670 HH TYR 87 HH TYR 87 -1.211 -15.216 -7.129 671 H ASN 88 H ASN 88 -1.614 -10.308 -0.061 672 HA ASN 88 HA ASN 88 -3.540 -10.198 2.164 673 HB2 ASN 88 HB2 ASN 88 -1.062 -9.408 2.358 674 HB3 ASN 88 HB3 ASN 88 -1.615 -8.012 1.443 675 HD21 ASN 88 HD21 ASN 88 -3.597 -9.707 3.769 676 HD22 ASN 88 HD22 ASN 88 -3.650 -8.426 4.925 677 H THR 89 H THR 89 -5.138 -8.637 2.202 678 HA THR 89 HA THR 89 -5.535 -7.142 -0.296 679 HB THR 89 HB THR 89 -7.840 -8.228 1.299 680 HG1 THR 89 HG1 THR 89 -6.153 -9.555 -0.489 681 HG21 THR 89 HG21 THR 89 -7.534 -7.354 -1.576 682 HG22 THR 89 HG22 THR 89 -8.332 -6.448 -0.290 683 HG23 THR 89 HG23 THR 89 -9.019 -7.972 -0.850 684 H TYR 90 H TYR 90 -6.561 -5.124 -0.038 685 HA TYR 90 HA TYR 90 -6.713 -4.215 2.744 686 HB2 TYR 90 HB2 TYR 90 -5.512 -2.748 0.398 687 HB3 TYR 90 HB3 TYR 90 -5.952 -1.952 1.906 688 HD1 TYR 90 HD1 TYR 90 -5.101 -3.706 3.986 689 HD2 TYR 90 HD2 TYR 90 -3.207 -2.915 0.260 690 HE1 TYR 90 HE1 TYR 90 -2.935 -4.340 4.960 691 HE2 TYR 90 HE2 TYR 90 -1.036 -3.550 1.222 692 HH TYR 90 HH TYR 90 -0.742 -5.207 4.127 693 H ILE 91 H ILE 91 -8.528 -3.386 3.325 694 HA ILE 91 HA ILE 91 -10.512 -2.631 1.309 695 HB ILE 91 HB ILE 91 -11.067 -2.667 4.233 696 HG12 ILE 91 HG12 ILE 91 -10.721 -5.140 2.547 697 HG13 ILE 91 HG13 ILE 91 -9.840 -4.676 4.001 698 HG21 ILE 91 HG21 ILE 91 -12.821 -1.976 2.699 699 HG22 ILE 91 HG22 ILE 91 -12.673 -3.496 1.816 700 HG23 ILE 91 HG23 ILE 91 -13.262 -3.495 3.479 701 HD11 ILE 91 HD11 ILE 91 -11.860 -4.956 5.329 702 HD12 ILE 91 HD12 ILE 91 -12.757 -5.404 3.879 703 HD13 ILE 91 HD13 ILE 91 -11.453 -6.439 4.462 704 H SER 92 H SER 92 -11.567 -0.616 1.592 705 HA SER 92 HA SER 92 -9.740 1.378 2.636 706 HB2 SER 92 HB2 SER 92 -11.312 2.937 1.408 707 HB3 SER 92 HB3 SER 92 -10.457 1.779 0.389 708 HG SER 92 HG SER 92 -12.863 2.114 0.161 709 H LYS 93 H LYS 93 -10.093 1.403 4.849 710 HA LYS 93 HA LYS 93 -12.727 1.105 5.872 711 HB2 LYS 93 HB2 LYS 93 -10.368 0.784 7.039 712 HB3 LYS 93 HB3 LYS 93 -10.632 2.459 7.512 713 HG2 LYS 93 HG2 LYS 93 -12.949 1.622 8.291 714 HG3 LYS 93 HG3 LYS 93 -12.201 0.022 8.227 715 HD2 LYS 93 HD2 LYS 93 -10.495 0.723 9.800 716 HD3 LYS 93 HD3 LYS 93 -11.145 2.365 9.811 717 HE2 LYS 93 HE2 LYS 93 -13.278 1.476 10.686 718 HE3 LYS 93 HE3 LYS 93 -12.555 -0.130 10.750 719 HZ1 LYS 93 HZ1 LYS 93 -11.683 2.256 12.287 720 HZ2 LYS 93 HZ2 LYS 93 -10.891 0.754 12.300 721 HZ3 LYS 93 HZ3 LYS 93 -12.470 0.885 12.905 722 H LYS 94 H LYS 94 -11.244 3.649 4.339 723 HA LYS 94 HA LYS 94 -12.475 5.868 5.549 724 HB2 LYS 94 HB2 LYS 94 -12.344 6.843 3.145 725 HB3 LYS 94 HB3 LYS 94 -10.841 6.505 3.979 726 HG2 LYS 94 HG2 LYS 94 -11.625 4.187 2.528 727 HG3 LYS 94 HG3 LYS 94 -11.699 5.593 1.461 728 HD2 LYS 94 HD2 LYS 94 -9.505 4.675 1.295 729 HD3 LYS 94 HD3 LYS 94 -9.385 6.177 2.208 730 HE2 LYS 94 HE2 LYS 94 -9.700 3.590 3.664 731 HE3 LYS 94 HE3 LYS 94 -8.129 4.020 2.999 732 HZ1 LYS 94 HZ1 LYS 94 -8.231 6.096 4.278 733 HZ2 LYS 94 HZ2 LYS 94 -8.276 4.727 5.272 734 HZ3 LYS 94 HZ3 LYS 94 -9.695 5.601 4.972 735 H HIS 95 H HIS 95 -13.476 4.695 2.347 736 HA HIS 95 HA HIS 95 -16.207 4.808 3.261 737 HB2 HIS 95 HB2 HIS 95 -15.085 4.375 0.495 738 HB3 HIS 95 HB3 HIS 95 -16.809 4.385 0.871 739 HD1 HIS 95 HD1 HIS 95 -16.408 6.754 3.010 740 HD2 HIS 95 HD2 HIS 95 -15.327 6.757 -1.004 741 HE1 HIS 95 HE1 HIS 95 -16.134 9.157 2.389 742 HE2 HIS 95 HE2 HIS 95 -15.740 9.153 -0.101 743 H ALA 96 H ALA 96 -14.882 2.818 4.559 744 HA ALA 96 HA ALA 96 -15.280 0.252 3.479 745 HB1 ALA 96 HB1 ALA 96 -15.592 1.158 6.345 746 HB2 ALA 96 HB2 ALA 96 -15.456 -0.520 5.814 747 HB3 ALA 96 HB3 ALA 96 -14.104 0.591 5.585 748 H GLU 97 H GLU 97 -17.398 2.628 4.685 749 HA GLU 97 HA GLU 97 -19.748 1.300 5.239 750 HB2 GLU 97 HB2 GLU 97 -20.803 3.478 4.731 751 HB3 GLU 97 HB3 GLU 97 -19.345 3.663 5.701 752 HG2 GLU 97 HG2 GLU 97 -18.223 3.936 3.329 753 HG3 GLU 97 HG3 GLU 97 -19.854 4.416 2.872 754 H LYS 98 H LYS 98 -18.372 2.198 2.112 755 HA LYS 98 HA LYS 98 -20.828 1.364 0.749 756 HB2 LYS 98 HB2 LYS 98 -19.771 3.508 0.104 757 HB3 LYS 98 HB3 LYS 98 -18.316 2.642 -0.361 758 HG2 LYS 98 HG2 LYS 98 -19.522 1.501 -2.126 759 HG3 LYS 98 HG3 LYS 98 -21.024 2.280 -1.630 760 HD2 LYS 98 HD2 LYS 98 -18.569 3.771 -2.543 761 HD3 LYS 98 HD3 LYS 98 -19.909 3.332 -3.604 762 HE2 LYS 98 HE2 LYS 98 -20.120 5.058 -1.138 763 HE3 LYS 98 HE3 LYS 98 -20.072 5.649 -2.797 764 HZ1 LYS 98 HZ1 LYS 98 -22.334 5.566 -2.043 765 HZ2 LYS 98 HZ2 LYS 98 -22.181 3.938 -1.592 766 HZ3 LYS 98 HZ3 LYS 98 -22.117 4.373 -3.230 767 H ASN 99 H ASN 99 -18.046 -0.010 1.850 768 HA ASN 99 HA ASN 99 -17.278 -2.133 1.674 769 HB2 ASN 99 HB2 ASN 99 -19.353 -2.427 -0.504 770 HB3 ASN 99 HB3 ASN 99 -18.294 -3.731 0.018 771 HD21 ASN 99 HD21 ASN 99 -18.593 -4.656 2.032 772 HD22 ASN 99 HD22 ASN 99 -20.041 -4.421 2.953 773 H TRP 100 H TRP 100 -16.400 0.262 0.052 774 HA TRP 100 HA TRP 100 -15.275 -0.757 -2.350 775 HB2 TRP 100 HB2 TRP 100 -15.197 1.757 -0.806 776 HB3 TRP 100 HB3 TRP 100 -13.779 1.429 -1.793 777 HD1 TRP 100 HD1 TRP 100 -17.038 0.217 -3.293 778 HE1 TRP 100 HE1 TRP 100 -17.683 1.774 -5.250 779 HE3 TRP 100 HE3 TRP 100 -13.656 3.904 -2.485 780 HZ2 TRP 100 HZ2 TRP 100 -16.827 4.289 -6.303 781 HZ3 TRP 100 HZ3 TRP 100 -13.602 5.852 -3.983 782 HH2 TRP 100 HH2 TRP 100 -15.146 6.053 -5.841 783 H PHE 101 H PHE 101 -12.891 -0.635 -2.714 784 HA PHE 101 HA PHE 101 -11.404 -1.693 -0.398 785 HB2 PHE 101 HB2 PHE 101 -10.918 -2.322 -3.323 786 HB3 PHE 101 HB3 PHE 101 -10.012 -2.963 -1.964 787 HD1 PHE 101 HD1 PHE 101 -13.374 -2.951 -3.538 788 HD2 PHE 101 HD2 PHE 101 -10.662 -4.936 -0.932 789 HE1 PHE 101 HE1 PHE 101 -14.918 -4.865 -3.390 790 HE2 PHE 101 HE2 PHE 101 -12.194 -6.848 -0.784 791 HZ PHE 101 HZ PHE 101 -14.248 -6.886 -2.221 792 H VAL 102 H VAL 102 -9.284 -0.794 -0.093 793 HA VAL 102 HA VAL 102 -8.586 1.366 -1.923 794 HB VAL 102 HB VAL 102 -7.373 0.418 0.657 795 HG11 VAL 102 HG11 VAL 102 -5.496 0.627 -0.933 796 HG12 VAL 102 HG12 VAL 102 -6.023 2.264 -1.321 797 HG13 VAL 102 HG13 VAL 102 -5.453 1.882 0.305 798 HG21 VAL 102 HG21 VAL 102 -8.198 3.111 -0.419 799 HG22 VAL 102 HG22 VAL 102 -9.112 2.116 0.714 800 HG23 VAL 102 HG23 VAL 102 -7.561 2.803 1.197 801 H GLY 103 H GLY 103 -7.592 0.904 -3.739 802 HA2 GLY 103 HA3 GLY 103 -5.913 -1.517 -3.797 803 HA3 GLY 103 HA2 GLY 103 -6.950 -1.066 -5.132 804 H LEU 104 H LEU 104 -4.159 -1.540 -5.056 805 HA LEU 104 HA LEU 104 -3.158 1.128 -5.761 806 HB2 LEU 104 HB2 LEU 104 -1.806 0.940 -3.996 807 HB3 LEU 104 HB3 LEU 104 -2.287 -0.724 -3.723 808 HG LEU 104 HG LEU 104 -0.658 -1.026 -5.844 809 HD11 LEU 104 HD11 LEU 104 1.347 0.306 -5.489 810 HD12 LEU 104 HD12 LEU 104 -0.031 1.337 -5.874 811 HD13 LEU 104 HD13 LEU 104 0.535 1.207 -4.208 812 HD21 LEU 104 HD21 LEU 104 0.095 -0.979 -2.941 813 HD22 LEU 104 HD22 LEU 104 -0.663 -2.314 -3.809 814 HD23 LEU 104 HD23 LEU 104 0.975 -1.812 -4.223 815 H LYS 105 H LYS 105 -2.557 1.150 -7.913 816 HA LYS 105 HA LYS 105 -1.553 -1.441 -8.892 817 HB2 LYS 105 HB2 LYS 105 -3.049 0.337 -10.195 818 HB3 LYS 105 HB3 LYS 105 -1.474 1.012 -10.578 819 HG2 LYS 105 HG2 LYS 105 -2.199 -0.453 -12.348 820 HG3 LYS 105 HG3 LYS 105 -0.799 -1.151 -11.528 821 HD2 LYS 105 HD2 LYS 105 -2.174 -2.688 -10.329 822 HD3 LYS 105 HD3 LYS 105 -3.646 -1.884 -10.873 823 HE2 LYS 105 HE2 LYS 105 -3.264 -3.961 -12.094 824 HE3 LYS 105 HE3 LYS 105 -3.185 -2.567 -13.168 825 HZ1 LYS 105 HZ1 LYS 105 -1.429 -4.267 -13.523 826 HZ2 LYS 105 HZ2 LYS 105 -0.792 -3.873 -12.005 827 HZ3 LYS 105 HZ3 LYS 105 -0.835 -2.704 -13.234 828 H LYS 106 H LYS 106 0.335 -1.781 -7.901 829 HA LYS 106 HA LYS 106 2.268 0.279 -7.704 830 HB2 LYS 106 HB2 LYS 106 3.433 -1.094 -6.382 831 HB3 LYS 106 HB3 LYS 106 2.009 -2.130 -6.449 832 HG2 LYS 106 HG2 LYS 106 4.421 -2.387 -8.245 833 HG3 LYS 106 HG3 LYS 106 4.131 -3.342 -6.794 834 HD2 LYS 106 HD2 LYS 106 2.114 -4.276 -7.800 835 HD3 LYS 106 HD3 LYS 106 2.364 -3.288 -9.240 836 HE2 LYS 106 HE2 LYS 106 3.166 -5.466 -9.758 837 HE3 LYS 106 HE3 LYS 106 4.580 -4.443 -9.522 838 HZ1 LYS 106 HZ1 LYS 106 3.458 -6.362 -7.542 839 HZ2 LYS 106 HZ2 LYS 106 4.781 -5.341 -7.264 840 HZ3 LYS 106 HZ3 LYS 106 4.884 -6.559 -8.432 841 H ASN 107 H ASN 107 1.364 -1.826 -10.262 842 HA ASN 107 HA ASN 107 3.930 -1.716 -11.540 843 HB2 ASN 107 HB2 ASN 107 1.973 -3.383 -11.976 844 HB3 ASN 107 HB3 ASN 107 1.319 -2.113 -13.000 845 HD21 ASN 107 HD21 ASN 107 2.108 -4.720 -13.828 846 HD22 ASN 107 HD22 ASN 107 3.411 -4.534 -14.954 847 H GLY 108 H GLY 108 1.402 0.403 -10.946 848 HA2 GLY 108 HA3 GLY 108 2.511 2.343 -12.881 849 HA3 GLY 108 HA2 GLY 108 0.792 2.282 -12.508 850 H SER 109 H SER 109 0.110 2.686 -10.540 851 HA SER 109 HA SER 109 1.529 4.000 -8.459 852 HB2 SER 109 HB2 SER 109 0.412 6.216 -8.751 853 HB3 SER 109 HB3 SER 109 1.517 5.869 -10.081 854 HG SER 109 HG SER 109 -0.423 6.627 -10.924 855 H CYS 110 H CYS 110 -0.263 4.660 -6.743 856 HA CYS 110 HA CYS 110 -2.195 2.478 -6.952 857 HB2 CYS 110 HB2 CYS 110 -0.914 2.640 -4.915 858 HB3 CYS 110 HB3 CYS 110 -1.357 4.329 -4.716 859 HG CYS 110 HG CYS 110 -4.016 2.317 -4.776 860 H LYS 111 H LYS 111 -3.939 3.097 -8.133 861 HA LYS 111 HA LYS 111 -5.535 5.278 -7.046 862 HB2 LYS 111 HB2 LYS 111 -6.270 5.124 -9.723 863 HB3 LYS 111 HB3 LYS 111 -5.385 6.431 -8.964 864 HG2 LYS 111 HG2 LYS 111 -4.272 5.734 -11.000 865 HG3 LYS 111 HG3 LYS 111 -3.265 5.373 -9.603 866 HD2 LYS 111 HD2 LYS 111 -3.458 3.091 -9.872 867 HD3 LYS 111 HD3 LYS 111 -5.047 3.216 -10.643 868 HE2 LYS 111 HE2 LYS 111 -3.076 2.521 -12.109 869 HE3 LYS 111 HE3 LYS 111 -4.117 3.806 -12.716 870 HZ1 LYS 111 HZ1 LYS 111 -2.526 5.415 -12.275 871 HZ2 LYS 111 HZ2 LYS 111 -1.602 4.126 -12.869 872 HZ3 LYS 111 HZ3 LYS 111 -1.655 4.434 -11.203 873 H ARG 112 H ARG 112 -7.204 3.888 -6.070 874 HA ARG 112 HA ARG 112 -8.545 2.439 -8.202 875 HB2 ARG 112 HB2 ARG 112 -7.614 1.055 -5.721 876 HB3 ARG 112 HB3 ARG 112 -8.879 0.410 -6.755 877 HG2 ARG 112 HG2 ARG 112 -6.180 1.137 -7.820 878 HG3 ARG 112 HG3 ARG 112 -6.497 -0.439 -7.082 879 HD2 ARG 112 HD2 ARG 112 -6.758 -0.727 -9.427 880 HD3 ARG 112 HD3 ARG 112 -8.375 -0.730 -8.731 881 HE ARG 112 HE ARG 112 -8.477 1.666 -9.486 882 HH11 ARG 112 HH12 ARG 112 -6.411 -0.648 -11.113 883 HH12 ARG 112 HH11 ARG 112 -6.399 0.234 -12.611 884 HH21 ARG 112 HH22 ARG 112 -8.452 2.816 -11.466 885 HH22 ARG 112 HH21 ARG 112 -7.554 2.177 -12.812 886 H GLY 113 H GLY 113 -10.221 4.142 -7.876 887 HA2 GLY 113 HA3 GLY 113 -11.945 3.397 -5.620 888 HA3 GLY 113 HA2 GLY 113 -12.175 4.786 -6.682 889 HA PRO 114 HA PRO 114 -15.045 2.632 -9.182 890 HB2 PRO 114 HB2 PRO 114 -14.099 2.966 -11.743 891 HB3 PRO 114 HB3 PRO 114 -14.987 4.192 -10.833 892 HG2 PRO 114 HG2 PRO 114 -12.041 3.902 -11.250 893 HG3 PRO 114 HG3 PRO 114 -13.038 5.369 -11.260 894 HD2 PRO 114 HD2 PRO 114 -11.532 4.697 -9.141 895 HD3 PRO 114 HD3 PRO 114 -13.112 5.485 -8.949 896 H ARG 115 H ARG 115 -11.827 1.463 -9.020 897 HA ARG 115 HA ARG 115 -12.655 -0.904 -10.556 898 HB2 ARG 115 HB2 ARG 115 -10.013 0.460 -10.360 899 HB3 ARG 115 HB3 ARG 115 -10.047 -1.278 -10.593 900 HG2 ARG 115 HG2 ARG 115 -9.815 -0.237 -12.719 901 HG3 ARG 115 HG3 ARG 115 -11.433 -0.926 -12.624 902 HD2 ARG 115 HD2 ARG 115 -12.426 1.193 -12.344 903 HD3 ARG 115 HD3 ARG 115 -10.878 1.960 -11.991 904 HE ARG 115 HE ARG 115 -10.452 1.109 -14.472 905 HH11 ARG 115 HH12 ARG 115 -13.297 2.686 -13.168 906 HH12 ARG 115 HH11 ARG 115 -13.652 3.542 -14.635 907 HH21 ARG 115 HH22 ARG 115 -10.901 2.243 -16.389 908 HH22 ARG 115 HH21 ARG 115 -12.277 3.308 -16.457 909 H THR 116 H THR 116 -11.871 0.218 -7.399 910 HA THR 116 HA THR 116 -10.737 -2.203 -6.481 911 HB THR 116 HB THR 116 -11.749 -1.255 -4.216 912 HG1 THR 116 HG1 THR 116 -11.540 1.130 -4.533 913 HG21 THR 116 HG21 THR 116 -9.609 -0.065 -4.018 914 HG22 THR 116 HG22 THR 116 -9.386 -0.195 -5.764 915 HG23 THR 116 HG23 THR 116 -9.415 -1.649 -4.766 916 H HIS 117 H HIS 117 -11.474 -3.965 -6.336 917 HA HIS 117 HA HIS 117 -13.350 -5.392 -5.292 918 HB2 HIS 117 HB2 HIS 117 -15.255 -5.619 -6.877 919 HB3 HIS 117 HB3 HIS 117 -15.234 -4.022 -6.154 920 HD1 HIS 117 HD1 HIS 117 -15.109 -2.042 -7.709 921 HD2 HIS 117 HD2 HIS 117 -14.572 -5.676 -9.660 922 HE1 HIS 117 HE1 HIS 117 -15.237 -1.519 -10.169 923 HE2 HIS 117 HE2 HIS 117 -15.015 -3.748 -11.330 924 H TYR 118 H TYR 118 -13.771 -7.414 -7.268 925 HA TYR 118 HA TYR 118 -11.020 -7.415 -8.239 926 HB2 TYR 118 HB2 TYR 118 -12.365 -9.510 -7.421 927 HB3 TYR 118 HB3 TYR 118 -13.047 -9.493 -9.046 928 HD1 TYR 118 HD1 TYR 118 -9.705 -9.342 -7.367 929 HD2 TYR 118 HD2 TYR 118 -11.989 -10.730 -10.676 930 HE1 TYR 118 HE1 TYR 118 -7.745 -10.569 -8.200 931 HE2 TYR 118 HE2 TYR 118 -10.034 -11.960 -11.519 932 HH TYR 118 HH TYR 118 -7.224 -12.452 -9.627 933 H GLY 119 H GLY 119 -11.301 -5.548 -9.322 934 HA2 GLY 119 HA3 GLY 119 -12.405 -5.770 -12.034 935 HA3 GLY 119 HA2 GLY 119 -12.037 -4.246 -11.204 936 H GLN 120 H GLN 120 -9.680 -5.357 -10.018 937 HA GLN 120 HA GLN 120 -7.820 -5.305 -12.289 938 HB2 GLN 120 HB2 GLN 120 -8.436 -2.960 -11.298 939 HB3 GLN 120 HB3 GLN 120 -7.503 -3.488 -9.904 940 HG2 GLN 120 HG2 GLN 120 -6.110 -2.152 -11.301 941 HG3 GLN 120 HG3 GLN 120 -5.547 -3.821 -11.359 942 HE21 GLN 120 HE21 GLN 120 -8.375 -2.705 -13.087 943 HE22 GLN 120 HE22 GLN 120 -7.695 -2.844 -14.673 944 H LYS 121 H LYS 121 -5.768 -6.179 -11.743 945 HA LYS 121 HA LYS 121 -5.694 -7.827 -9.381 946 HB2 LYS 121 HB2 LYS 121 -3.689 -7.337 -11.587 947 HB3 LYS 121 HB3 LYS 121 -3.369 -8.395 -10.221 948 HG2 LYS 121 HG2 LYS 121 -5.299 -9.776 -10.865 949 HG3 LYS 121 HG3 LYS 121 -5.546 -8.739 -12.271 950 HD2 LYS 121 HD2 LYS 121 -3.328 -9.313 -13.101 951 HD3 LYS 121 HD3 LYS 121 -3.045 -10.319 -11.681 952 HE2 LYS 121 HE2 LYS 121 -4.896 -11.772 -12.339 953 HE3 LYS 121 HE3 LYS 121 -5.194 -10.759 -13.751 954 HZ1 LYS 121 HZ1 LYS 121 -2.690 -12.266 -13.210 955 HZ2 LYS 121 HZ2 LYS 121 -3.000 -11.311 -14.578 956 HZ3 LYS 121 HZ3 LYS 121 -3.895 -12.726 -14.314 957 H ALA 122 H ALA 122 -5.568 -4.754 -9.481 958 HA ALA 122 HA ALA 122 -3.192 -4.098 -8.019 959 HB1 ALA 122 HB1 ALA 122 -5.812 -2.614 -8.240 960 HB2 ALA 122 HB2 ALA 122 -4.288 -1.953 -7.646 961 HB3 ALA 122 HB3 ALA 122 -4.446 -2.433 -9.338 962 H ILE 123 H ILE 123 -5.926 -5.813 -7.373 963 HA ILE 123 HA ILE 123 -6.208 -5.066 -4.580 964 HB ILE 123 HB ILE 123 -7.695 -7.215 -6.105 965 HG12 ILE 123 HG12 ILE 123 -7.933 -5.083 -7.280 966 HG13 ILE 123 HG13 ILE 123 -9.447 -5.539 -6.508 967 HG21 ILE 123 HG21 ILE 123 -8.430 -5.647 -3.623 968 HG22 ILE 123 HG22 ILE 123 -9.446 -6.846 -4.423 969 HG23 ILE 123 HG23 ILE 123 -7.929 -7.339 -3.671 970 HD11 ILE 123 HD11 ILE 123 -9.009 -3.162 -6.268 971 HD12 ILE 123 HD12 ILE 123 -8.996 -3.964 -4.697 972 HD13 ILE 123 HD13 ILE 123 -7.476 -3.514 -5.470 973 H LEU 124 H LEU 124 -4.139 -7.006 -6.286 974 HA LEU 124 HA LEU 124 -3.996 -9.022 -4.138 975 HB2 LEU 124 HB2 LEU 124 -1.999 -9.395 -6.186 976 HB3 LEU 124 HB3 LEU 124 -3.233 -10.499 -5.625 977 HG LEU 124 HG LEU 124 -3.716 -8.374 -7.711 978 HD11 LEU 124 HD11 LEU 124 -3.132 -11.311 -8.075 979 HD12 LEU 124 HD12 LEU 124 -3.541 -10.163 -9.348 980 HD13 LEU 124 HD13 LEU 124 -2.028 -9.990 -8.457 981 HD21 LEU 124 HD21 LEU 124 -5.734 -9.130 -6.556 982 HD22 LEU 124 HD22 LEU 124 -5.705 -9.705 -8.223 983 HD23 LEU 124 HD23 LEU 124 -5.314 -10.808 -6.903 984 H PHE 125 H PHE 125 -2.904 -8.169 -2.478 985 HA PHE 125 HA PHE 125 -0.683 -6.367 -3.031 986 HB2 PHE 125 HB2 PHE 125 -2.173 -6.920 -0.455 987 HB3 PHE 125 HB3 PHE 125 -0.952 -5.683 -0.690 988 HD1 PHE 125 HD1 PHE 125 -4.403 -6.669 -1.411 989 HD2 PHE 125 HD2 PHE 125 -1.455 -3.639 -1.859 990 HE1 PHE 125 HE1 PHE 125 -6.147 -5.077 -2.105 991 HE2 PHE 125 HE2 PHE 125 -3.191 -2.043 -2.544 992 HZ PHE 125 HZ PHE 125 -5.561 -2.773 -2.650 993 H LEU 126 H LEU 126 1.436 -6.970 -2.722 994 HA LEU 126 HA LEU 126 1.856 -9.105 -0.722 995 HB2 LEU 126 HB2 LEU 126 2.277 -9.443 -3.404 996 HB3 LEU 126 HB3 LEU 126 3.858 -8.913 -2.869 997 HG LEU 126 HG LEU 126 3.761 -11.334 -2.906 998 HD11 LEU 126 HD11 LEU 126 4.426 -11.830 -0.615 999 HD12 LEU 126 HD12 LEU 126 5.128 -10.310 -1.170 1000 HD13 LEU 126 HD13 LEU 126 3.742 -10.295 -0.078 1001 HD21 LEU 126 HD21 LEU 126 1.372 -11.640 -2.648 1002 HD22 LEU 126 HD22 LEU 126 2.242 -12.567 -1.426 1003 HD23 LEU 126 HD23 LEU 126 1.454 -11.051 -0.987 1004 HA PRO 127 HA PRO 127 4.711 -5.928 0.635 1005 HB2 PRO 127 HB2 PRO 127 4.143 -6.248 3.253 1006 HB3 PRO 127 HB3 PRO 127 3.038 -5.427 2.147 1007 HG2 PRO 127 HG2 PRO 127 2.725 -8.010 3.472 1008 HG3 PRO 127 HG3 PRO 127 1.519 -7.058 2.594 1009 HD2 PRO 127 HD2 PRO 127 3.161 -9.314 1.653 1010 HD3 PRO 127 HD3 PRO 127 1.681 -8.625 0.947 1011 H LEU 128 H LEU 128 6.797 -6.670 0.363 1012 HA LEU 128 HA LEU 128 7.713 -8.772 2.217 1013 HB2 LEU 128 HB2 LEU 128 8.788 -7.919 -0.462 1014 HB3 LEU 128 HB3 LEU 128 9.716 -8.904 0.651 1015 HG LEU 128 HG LEU 128 7.151 -9.636 -0.747 1016 HD11 LEU 128 HD11 LEU 128 8.532 -11.470 -1.622 1017 HD12 LEU 128 HD12 LEU 128 9.170 -9.887 -2.066 1018 HD13 LEU 128 HD13 LEU 128 9.928 -10.811 -0.771 1019 HD21 LEU 128 HD21 LEU 128 7.023 -10.406 1.565 1020 HD22 LEU 128 HD22 LEU 128 7.253 -11.762 0.461 1021 HD23 LEU 128 HD23 LEU 128 8.610 -11.158 1.412 1022 HA PRO 129 HA PRO 129 9.847 -5.332 4.065 1023 HB2 PRO 129 HB2 PRO 129 10.601 -6.544 6.321 1024 HB3 PRO 129 HB3 PRO 129 8.897 -6.193 5.998 1025 HG2 PRO 129 HG2 PRO 129 10.382 -8.777 5.720 1026 HG3 PRO 129 HG3 PRO 129 8.763 -8.483 6.376 1027 HD2 PRO 129 HD2 PRO 129 9.287 -9.363 3.809 1028 HD3 PRO 129 HD3 PRO 129 7.797 -8.541 4.309 1029 H VAL 130 H VAL 130 12.115 -4.952 5.007 1030 HA VAL 130 HA VAL 130 13.991 -5.692 3.071 1031 HB VAL 130 HB VAL 130 14.820 -4.933 5.847 1032 HG11 VAL 130 HG11 VAL 130 16.596 -5.451 4.295 1033 HG12 VAL 130 HG12 VAL 130 15.943 -4.301 3.128 1034 HG13 VAL 130 HG13 VAL 130 16.597 -3.727 4.662 1035 HG21 VAL 130 HG21 VAL 130 14.513 -2.572 5.261 1036 HG22 VAL 130 HG22 VAL 130 13.759 -3.054 3.740 1037 HG23 VAL 130 HG23 VAL 130 12.979 -3.443 5.273 1038 H SER 131 H SER 131 15.665 -7.156 3.067 1039 HA SER 131 HA SER 131 14.826 -9.650 4.235 1040 HB2 SER 131 HB2 SER 131 15.528 -9.419 1.835 1041 HB3 SER 131 HB3 SER 131 17.173 -9.133 2.398 1042 HG SER 131 HG SER 131 15.650 -11.475 2.407 1043 H SER 132 H SER 132 15.691 -10.613 5.950 1044 HA SER 132 HA SER 132 18.079 -9.483 7.163 1045 HB2 SER 132 HB2 SER 132 16.238 -11.685 8.141 1046 HB3 SER 132 HB3 SER 132 17.515 -10.905 9.078 1047 HG SER 132 HG SER 132 15.952 -9.605 9.640 1048 H ASP 133 H ASP 133 19.530 -10.125 5.600 1049 HA ASP 133 HA ASP 133 20.148 -12.996 5.510 1050 HB2 ASP 133 HB2 ASP 133 19.015 -12.193 3.425 1051 HB3 ASP 133 HB3 ASP 133 20.329 -11.046 3.199 Start of MODEL 13 1 H1 TYR 1 H1 TYR 1 16.787 -8.192 9.959 2 H2 TYR 1 H2 TYR 1 16.585 -9.672 9.161 3 H3 TYR 1 H3 TYR 1 15.352 -9.076 10.167 4 HA TYR 1 HA TYR 1 16.269 -7.924 7.595 5 HB2 TYR 1 HB2 TYR 1 13.560 -9.015 8.408 6 HB3 TYR 1 HB3 TYR 1 14.021 -8.435 6.814 7 HD1 TYR 1 HD2 TYR 1 16.096 -9.712 5.754 8 HD2 TYR 1 HD1 TYR 1 13.561 -11.279 8.789 9 HE1 TYR 1 HE2 TYR 1 16.760 -11.995 5.124 10 HE2 TYR 1 HE1 TYR 1 14.215 -13.564 8.166 11 HH TYR 1 HH TYR 1 16.865 -14.237 6.187 12 H LYS 2 H LYS 2 14.516 -6.259 6.900 13 HA LYS 2 HA LYS 2 14.184 -4.391 9.124 14 HB2 LYS 2 HB2 LYS 2 14.115 -4.083 6.132 15 HB3 LYS 2 HB3 LYS 2 13.521 -2.822 7.201 16 HG2 LYS 2 HG2 LYS 2 16.303 -3.937 7.381 17 HG3 LYS 2 HG3 LYS 2 15.879 -2.551 6.376 18 HD2 LYS 2 HD2 LYS 2 15.021 -1.397 8.379 19 HD3 LYS 2 HD3 LYS 2 15.525 -2.771 9.364 20 HE2 LYS 2 HE2 LYS 2 17.835 -2.397 8.779 21 HE3 LYS 2 HE3 LYS 2 17.380 -1.108 7.665 22 HZ1 LYS 2 HZ1 LYS 2 16.876 -1.045 10.592 23 HZ2 LYS 2 HZ2 LYS 2 16.628 0.222 9.490 24 HZ3 LYS 2 HZ3 LYS 2 18.199 -0.305 9.835 25 H LYS 3 H LYS 3 12.258 -3.484 9.628 26 HA LYS 3 HA LYS 3 9.973 -5.175 9.364 27 HB2 LYS 3 HB2 LYS 3 10.506 -2.550 10.672 28 HB3 LYS 3 HB3 LYS 3 8.906 -3.274 10.695 29 HG2 LYS 3 HG2 LYS 3 11.182 -4.949 11.598 30 HG3 LYS 3 HG3 LYS 3 10.658 -3.638 12.655 31 HD2 LYS 3 HD2 LYS 3 9.515 -5.682 13.259 32 HD3 LYS 3 HD3 LYS 3 8.363 -4.534 12.583 33 HE2 LYS 3 HE2 LYS 3 7.825 -6.631 11.650 34 HE3 LYS 3 HE3 LYS 3 8.650 -5.731 10.381 35 HZ1 LYS 3 HZ1 LYS 3 10.699 -6.939 10.949 36 HZ2 LYS 3 HZ2 LYS 3 9.450 -7.979 10.455 37 HZ3 LYS 3 HZ3 LYS 3 9.835 -7.846 12.095 38 HA PRO 4 HA PRO 4 8.329 -1.137 6.903 39 HB2 PRO 4 HB2 PRO 4 10.468 -0.608 5.107 40 HB3 PRO 4 HB3 PRO 4 9.817 0.468 6.344 41 HG2 PRO 4 HG2 PRO 4 12.199 -1.297 6.446 42 HG3 PRO 4 HG3 PRO 4 11.903 0.247 7.265 43 HD2 PRO 4 HD2 PRO 4 11.834 -2.075 8.594 44 HD3 PRO 4 HD3 PRO 4 10.707 -0.756 8.984 45 H LYS 5 H LYS 5 7.155 -1.838 5.269 46 HA LYS 5 HA LYS 5 7.969 -4.334 3.988 47 HB2 LYS 5 HB2 LYS 5 5.252 -3.004 3.980 48 HB3 LYS 5 HB3 LYS 5 5.625 -4.649 3.492 49 HG2 LYS 5 HG2 LYS 5 5.956 -3.614 6.298 50 HG3 LYS 5 HG3 LYS 5 4.515 -4.444 5.711 51 HD2 LYS 5 HD2 LYS 5 5.849 -6.423 5.209 52 HD3 LYS 5 HD3 LYS 5 7.307 -5.588 5.752 53 HE2 LYS 5 HE2 LYS 5 6.451 -7.082 7.482 54 HE3 LYS 5 HE3 LYS 5 6.375 -5.398 7.997 55 HZ1 LYS 5 HZ1 LYS 5 4.011 -5.386 7.429 56 HZ2 LYS 5 HZ2 LYS 5 4.360 -6.568 8.587 57 HZ3 LYS 5 HZ3 LYS 5 4.100 -7.017 6.973 58 H LEU 6 H LEU 6 7.738 -4.592 1.763 59 HA LEU 6 HA LEU 6 8.020 -2.143 0.215 60 HB2 LEU 6 HB2 LEU 6 9.793 -3.510 -0.299 61 HB3 LEU 6 HB3 LEU 6 8.865 -4.979 -0.088 62 HG LEU 6 HG LEU 6 8.182 -3.262 -2.419 63 HD11 LEU 6 HD11 LEU 6 10.621 -5.017 -2.273 64 HD12 LEU 6 HD12 LEU 6 9.965 -4.271 -3.729 65 HD13 LEU 6 HD13 LEU 6 10.616 -3.261 -2.439 66 HD21 LEU 6 HD21 LEU 6 7.847 -5.439 -3.466 67 HD22 LEU 6 HD22 LEU 6 8.463 -6.241 -2.022 68 HD23 LEU 6 HD23 LEU 6 6.953 -5.332 -1.950 69 H LEU 7 H LEU 7 6.817 -1.771 -1.635 70 HA LEU 7 HA LEU 7 4.124 -2.886 -1.498 71 HB2 LEU 7 HB2 LEU 7 4.731 -0.391 -1.513 72 HB3 LEU 7 HB3 LEU 7 5.121 -0.609 -3.203 73 HG LEU 7 HG LEU 7 2.913 0.385 -2.825 74 HD11 LEU 7 HD11 LEU 7 1.651 -0.889 -4.382 75 HD12 LEU 7 HD12 LEU 7 3.338 -0.812 -4.879 76 HD13 LEU 7 HD13 LEU 7 2.708 -2.288 -4.137 77 HD21 LEU 7 HD21 LEU 7 2.218 -2.273 -1.601 78 HD22 LEU 7 HD22 LEU 7 2.315 -0.727 -0.755 79 HD23 LEU 7 HD23 LEU 7 1.072 -0.987 -1.978 80 H TYR 8 H TYR 8 4.626 -4.937 -2.516 81 HA TYR 8 HA TYR 8 4.676 -4.559 -5.461 82 HB2 TYR 8 HB2 TYR 8 6.536 -5.890 -4.563 83 HB3 TYR 8 HB3 TYR 8 5.414 -6.932 -3.713 84 HD1 TYR 8 HD1 TYR 8 3.883 -8.415 -5.108 85 HD2 TYR 8 HD2 TYR 8 7.250 -6.395 -6.743 86 HE1 TYR 8 HE1 TYR 8 3.855 -9.936 -7.039 87 HE2 TYR 8 HE2 TYR 8 7.237 -7.912 -8.671 88 HH TYR 8 HH TYR 8 4.661 -9.933 -9.412 89 H CYS 9 H CYS 9 2.284 -4.156 -5.564 90 HA CYS 9 HA CYS 9 0.981 -6.812 -5.527 91 HB2 CYS 9 HB2 CYS 9 -1.185 -5.557 -5.181 92 HB3 CYS 9 HB3 CYS 9 -0.085 -5.587 -3.805 93 HG CYS 9 HG CYS 9 -1.279 -3.012 -5.500 94 H SER 10 H SER 10 1.944 -6.659 -7.713 95 HA SER 10 HA SER 10 -0.423 -6.586 -9.347 96 HB2 SER 10 HB2 SER 10 1.428 -4.695 -9.934 97 HB3 SER 10 HB3 SER 10 2.144 -6.062 -10.784 98 HG SER 10 HG SER 10 0.531 -6.065 -12.191 99 H ASN 11 H ASN 11 -0.332 -8.767 -10.689 100 HA ASN 11 HA ASN 11 2.082 -10.216 -9.930 101 HB2 ASN 11 HB2 ASN 11 -0.098 -11.404 -10.482 102 HB3 ASN 11 HB3 ASN 11 0.177 -10.964 -12.167 103 HD21 ASN 11 HD21 ASN 11 0.274 -13.177 -12.697 104 HD22 ASN 11 HD22 ASN 11 1.684 -14.117 -12.359 105 H GLY 12 H GLY 12 3.818 -9.144 -10.591 106 HA2 GLY 12 HA3 GLY 12 4.406 -8.840 -13.397 107 HA3 GLY 12 HA2 GLY 12 4.164 -7.305 -12.573 108 H GLY 13 H GLY 13 6.176 -6.467 -12.463 109 HA2 GLY 13 HA3 GLY 13 7.375 -7.237 -10.007 110 HA3 GLY 13 HA2 GLY 13 8.455 -7.573 -11.351 111 H HIS 14 H HIS 14 6.575 -5.006 -9.812 112 HA HIS 14 HA HIS 14 8.784 -3.172 -10.307 113 HB2 HIS 14 HB2 HIS 14 5.945 -2.777 -11.039 114 HB3 HIS 14 HB3 HIS 14 6.665 -1.449 -10.135 115 HD1 HIS 14 HD1 HIS 14 5.810 -1.045 -13.076 116 HD2 HIS 14 HD2 HIS 14 9.647 -2.135 -11.880 117 HE1 HIS 14 HE1 HIS 14 7.335 -0.306 -14.927 118 HE2 HIS 14 HE2 HIS 14 9.654 -0.965 -14.191 119 H PHE 15 H PHE 15 8.739 -1.412 -8.586 120 HA PHE 15 HA PHE 15 7.311 -2.287 -6.183 121 HB2 PHE 15 HB2 PHE 15 10.168 -1.297 -6.179 122 HB3 PHE 15 HB3 PHE 15 9.266 -1.966 -4.821 123 HD1 PHE 15 HD2 PHE 15 8.407 -4.411 -5.147 124 HD2 PHE 15 HD1 PHE 15 11.588 -2.682 -7.370 125 HE1 PHE 15 HE2 PHE 15 9.252 -6.659 -5.668 126 HE2 PHE 15 HE1 PHE 15 12.444 -4.927 -7.895 127 HZ PHE 15 HZ PHE 15 11.251 -6.915 -7.104 128 H LEU 16 H LEU 16 6.280 -0.662 -5.143 129 HA LEU 16 HA LEU 16 6.181 1.780 -6.670 130 HB2 LEU 16 HB2 LEU 16 4.196 0.499 -6.331 131 HB3 LEU 16 HB3 LEU 16 4.461 0.433 -4.607 132 HG LEU 16 HG LEU 16 4.108 3.152 -5.627 133 HD11 LEU 16 HD11 LEU 16 1.696 2.882 -5.971 134 HD12 LEU 16 HD12 LEU 16 2.606 1.946 -7.157 135 HD13 LEU 16 HD13 LEU 16 1.857 1.136 -5.780 136 HD21 LEU 16 HD21 LEU 16 4.185 2.562 -3.271 137 HD22 LEU 16 HD22 LEU 16 2.598 3.203 -3.696 138 HD23 LEU 16 HD23 LEU 16 2.818 1.467 -3.486 139 H ARG 17 H ARG 17 6.773 3.749 -5.959 140 HA ARG 17 HA ARG 17 8.173 3.880 -3.352 141 HB2 ARG 17 HB2 ARG 17 10.229 4.223 -4.255 142 HB3 ARG 17 HB3 ARG 17 9.566 3.258 -5.563 143 HG2 ARG 17 HG2 ARG 17 9.569 6.266 -5.545 144 HG3 ARG 17 HG3 ARG 17 10.840 5.281 -6.268 145 HD2 ARG 17 HD2 ARG 17 9.131 4.229 -7.716 146 HD3 ARG 17 HD3 ARG 17 7.930 5.329 -7.041 147 HE ARG 17 HE ARG 17 10.228 6.120 -8.707 148 HH11 ARG 17 HH12 ARG 17 7.126 6.810 -7.263 149 HH12 ARG 17 HH11 ARG 17 6.787 8.153 -8.304 150 HH21 ARG 17 HH22 ARG 17 9.824 7.925 -10.056 151 HH22 ARG 17 HH21 ARG 17 8.335 8.803 -9.886 152 H ILE 18 H ILE 18 8.619 6.174 -2.723 153 HA ILE 18 HA ILE 18 6.340 7.728 -3.636 154 HB ILE 18 HB ILE 18 6.722 9.170 -1.739 155 HG12 ILE 18 HG12 ILE 18 8.552 7.952 -0.095 156 HG13 ILE 18 HG13 ILE 18 9.318 7.814 -1.673 157 HG21 ILE 18 HG21 ILE 18 5.361 7.204 -1.400 158 HG22 ILE 18 HG22 ILE 18 6.794 6.254 -1.005 159 HG23 ILE 18 HG23 ILE 18 6.281 7.561 0.062 160 HD11 ILE 18 HD11 ILE 18 10.044 9.818 -0.521 161 HD12 ILE 18 HD12 ILE 18 9.127 10.234 -1.970 162 HD13 ILE 18 HD13 ILE 18 8.372 10.364 -0.381 163 H LEU 19 H LEU 19 6.386 9.636 -4.498 164 HA LEU 19 HA LEU 19 8.969 10.938 -5.070 165 HB2 LEU 19 HB2 LEU 19 7.700 10.016 -7.059 166 HB3 LEU 19 HB3 LEU 19 6.395 11.111 -6.658 167 HG LEU 19 HG LEU 19 8.004 13.016 -6.992 168 HD11 LEU 19 HD11 LEU 19 10.028 12.573 -8.279 169 HD12 LEU 19 HD12 LEU 19 10.080 11.772 -6.710 170 HD13 LEU 19 HD13 LEU 19 9.728 10.839 -8.165 171 HD21 LEU 19 HD21 LEU 19 6.367 12.385 -8.683 172 HD22 LEU 19 HD22 LEU 19 7.871 12.923 -9.429 173 HD23 LEU 19 HD23 LEU 19 7.494 11.202 -9.346 174 HA PRO 20 HA PRO 20 7.260 14.031 -2.392 175 HB2 PRO 20 HB2 PRO 20 8.986 16.000 -3.710 176 HB3 PRO 20 HB3 PRO 20 9.051 15.399 -2.049 177 HG2 PRO 20 HG2 PRO 20 10.931 14.746 -3.837 178 HG3 PRO 20 HG3 PRO 20 10.362 13.576 -2.629 179 HD2 PRO 20 HD2 PRO 20 9.588 13.833 -5.522 180 HD3 PRO 20 HD3 PRO 20 10.008 12.371 -4.599 181 H ASP 21 H ASP 21 6.637 13.891 -5.531 182 HA ASP 21 HA ASP 21 5.259 16.394 -5.911 183 HB2 ASP 21 HB2 ASP 21 6.102 15.120 -7.838 184 HB3 ASP 21 HB3 ASP 21 5.074 13.760 -7.399 185 H GLY 22 H GLY 22 4.678 13.346 -4.464 186 HA2 GLY 22 HA3 GLY 22 2.799 13.132 -2.915 187 HA3 GLY 22 HA2 GLY 22 1.819 13.996 -4.096 188 H THR 23 H THR 23 4.140 11.509 -4.918 189 HA THR 23 HA THR 23 1.960 9.917 -6.042 190 HB THR 23 HB THR 23 4.652 9.542 -7.090 191 HG1 THR 23 HG1 THR 23 3.367 11.921 -7.974 192 HG21 THR 23 HG21 THR 23 2.676 8.543 -8.097 193 HG22 THR 23 HG22 THR 23 3.444 9.646 -9.239 194 HG23 THR 23 HG23 THR 23 1.985 10.140 -8.381 195 H VAL 24 H VAL 24 1.989 7.781 -5.504 196 HA VAL 24 HA VAL 24 4.651 6.705 -5.014 197 HB VAL 24 HB VAL 24 3.145 6.922 -2.927 198 HG11 VAL 24 HG11 VAL 24 1.106 6.045 -3.718 199 HG12 VAL 24 HG12 VAL 24 1.890 4.558 -4.258 200 HG13 VAL 24 HG13 VAL 24 1.742 4.901 -2.532 201 HG21 VAL 24 HG21 VAL 24 4.505 4.332 -3.618 202 HG22 VAL 24 HG22 VAL 24 5.254 5.773 -2.929 203 HG23 VAL 24 HG23 VAL 24 4.076 4.857 -1.989 204 H ASP 25 H ASP 25 5.051 5.722 -6.806 205 HA ASP 25 HA ASP 25 3.138 3.806 -7.904 206 HB2 ASP 25 HB2 ASP 25 3.690 4.477 -10.212 207 HB3 ASP 25 HB3 ASP 25 2.935 5.788 -9.317 208 H GLY 26 H GLY 26 4.100 2.200 -9.370 209 HA2 GLY 26 HA3 GLY 26 6.432 1.170 -8.095 210 HA3 GLY 26 HA2 GLY 26 5.587 0.432 -9.430 211 H THR 27 H THR 27 8.301 0.896 -8.687 212 HA THR 27 HA THR 27 9.443 1.698 -11.218 213 HB THR 27 HB THR 27 10.061 2.942 -8.548 214 HG1 THR 27 HG1 THR 27 8.588 3.930 -10.137 215 HG21 THR 27 HG21 THR 27 12.102 3.888 -9.476 216 HG22 THR 27 HG22 THR 27 11.856 2.985 -10.971 217 HG23 THR 27 HG23 THR 27 12.175 2.124 -9.463 218 H ARG 28 H ARG 28 11.494 0.534 -11.586 219 HA ARG 28 HA ARG 28 11.633 -1.623 -9.660 220 HB2 ARG 28 HB2 ARG 28 13.500 -2.513 -11.082 221 HB3 ARG 28 HB3 ARG 28 11.956 -2.368 -11.899 222 HG2 ARG 28 HG2 ARG 28 13.417 -1.609 -13.500 223 HG3 ARG 28 HG3 ARG 28 12.918 -0.099 -12.740 224 HD2 ARG 28 HD2 ARG 28 15.353 -0.226 -13.144 225 HD3 ARG 28 HD3 ARG 28 14.943 -0.023 -11.442 226 HE ARG 28 HE ARG 28 15.390 -2.751 -12.352 227 HH11 ARG 28 HH12 ARG 28 16.722 0.096 -10.789 228 HH12 ARG 28 HH11 ARG 28 18.008 -0.781 -10.021 229 HH21 ARG 28 HH22 ARG 28 17.060 -3.901 -11.336 230 HH22 ARG 28 HH21 ARG 28 18.201 -3.069 -10.319 231 H ASP 29 H ASP 29 12.537 -1.364 -7.945 232 HA ASP 29 HA ASP 29 14.952 0.205 -7.588 233 HB2 ASP 29 HB2 ASP 29 12.808 1.514 -7.043 234 HB3 ASP 29 HB3 ASP 29 12.609 0.405 -5.692 235 H ARG 30 H ARG 30 15.722 -0.174 -5.270 236 HA ARG 30 HA ARG 30 16.401 -2.976 -5.378 237 HB2 ARG 30 HB2 ARG 30 17.299 -0.448 -4.165 238 HB3 ARG 30 HB3 ARG 30 17.857 -1.942 -3.396 239 HG2 ARG 30 HG2 ARG 30 19.510 -1.125 -4.998 240 HG3 ARG 30 HG3 ARG 30 18.867 -2.691 -5.487 241 HD2 ARG 30 HD2 ARG 30 17.334 -1.520 -7.041 242 HD3 ARG 30 HD3 ARG 30 18.099 0.005 -6.597 243 HE ARG 30 HE ARG 30 19.529 -2.222 -7.913 244 HH11 ARG 30 HH12 ARG 30 18.919 1.192 -7.432 245 HH12 ARG 30 HH11 ARG 30 20.071 1.693 -8.633 246 HH21 ARG 30 HH22 ARG 30 21.050 -1.566 -9.487 247 HH22 ARG 30 HH21 ARG 30 21.287 0.130 -9.799 248 H SER 31 H SER 31 13.711 -2.151 -4.045 249 HA SER 31 HA SER 31 12.665 -1.985 -2.011 250 HB2 SER 31 HB2 SER 31 13.353 -4.452 -1.976 251 HB3 SER 31 HB3 SER 31 14.753 -3.961 -1.023 252 HG SER 31 HG SER 31 12.372 -4.540 -0.129 253 H ASP 32 H ASP 32 14.262 -0.024 -2.645 254 HA ASP 32 HA ASP 32 16.536 0.270 -0.890 255 HB2 ASP 32 HB2 ASP 32 16.344 0.662 -3.514 256 HB3 ASP 32 HB3 ASP 32 15.751 2.237 -3.011 257 H GLN 33 H GLN 33 16.769 2.876 -0.737 258 HA GLN 33 HA GLN 33 15.088 3.656 1.376 259 HB2 GLN 33 HB2 GLN 33 17.126 4.949 -0.365 260 HB3 GLN 33 HB3 GLN 33 16.314 5.875 0.902 261 HG2 GLN 33 HG2 GLN 33 17.185 4.438 2.595 262 HG3 GLN 33 HG3 GLN 33 17.797 3.303 1.395 263 HE21 GLN 33 HE21 GLN 33 18.072 6.740 0.951 264 HE22 GLN 33 HE22 GLN 33 19.780 6.833 1.211 265 H HIS 34 H HIS 34 13.713 3.208 -1.321 266 HA HIS 34 HA HIS 34 12.106 5.647 -1.173 267 HB2 HIS 34 HB2 HIS 34 12.375 4.033 -3.708 268 HB3 HIS 34 HB3 HIS 34 11.765 5.671 -3.513 269 HD1 HIS 34 HD1 HIS 34 14.775 3.756 -4.294 270 HD2 HIS 34 HD2 HIS 34 13.868 7.624 -3.043 271 HE1 HIS 34 HE1 HIS 34 16.858 5.116 -4.710 272 HE2 HIS 34 HE2 HIS 34 16.305 7.444 -3.901 273 H ILE 35 H ILE 35 12.399 2.183 -1.215 274 HA ILE 35 HA ILE 35 9.588 1.782 -1.867 275 HB ILE 35 HB ILE 35 11.993 0.292 -2.086 276 HG12 ILE 35 HG12 ILE 35 10.612 -1.093 -3.572 277 HG13 ILE 35 HG13 ILE 35 9.165 -0.306 -2.946 278 HG21 ILE 35 HG21 ILE 35 9.848 -1.226 -0.618 279 HG22 ILE 35 HG22 ILE 35 11.270 -1.935 -1.384 280 HG23 ILE 35 HG23 ILE 35 11.459 -0.839 -0.014 281 HD11 ILE 35 HD11 ILE 35 11.405 1.013 -4.455 282 HD12 ILE 35 HD12 ILE 35 9.791 0.652 -5.067 283 HD13 ILE 35 HD13 ILE 35 10.001 1.842 -3.781 284 H GLN 36 H GLN 36 10.900 2.684 0.999 285 HA GLN 36 HA GLN 36 10.041 0.357 2.546 286 HB2 GLN 36 HB2 GLN 36 11.229 1.615 4.398 287 HB3 GLN 36 HB3 GLN 36 12.223 1.084 3.045 288 HG2 GLN 36 HG2 GLN 36 11.975 3.358 2.060 289 HG3 GLN 36 HG3 GLN 36 11.162 3.864 3.550 290 HE21 GLN 36 HE21 GLN 36 14.126 2.705 2.131 291 HE22 GLN 36 HE22 GLN 36 15.182 3.239 3.407 292 H LEU 37 H LEU 37 7.818 0.534 2.728 293 HA LEU 37 HA LEU 37 6.948 2.740 4.468 294 HB2 LEU 37 HB2 LEU 37 4.599 1.743 3.807 295 HB3 LEU 37 HB3 LEU 37 5.405 2.974 2.866 296 HG LEU 37 HG LEU 37 5.805 0.098 2.129 297 HD11 LEU 37 HD11 LEU 37 3.387 1.749 1.400 298 HD12 LEU 37 HD12 LEU 37 3.813 0.182 0.711 299 HD13 LEU 37 HD13 LEU 37 3.392 0.309 2.419 300 HD21 LEU 37 HD21 LEU 37 5.948 1.045 -0.120 301 HD22 LEU 37 HD22 LEU 37 5.579 2.645 0.522 302 HD23 LEU 37 HD23 LEU 37 7.082 1.840 0.972 303 H GLN 38 H GLN 38 6.029 2.274 6.389 304 HA GLN 38 HA GLN 38 6.701 -0.433 7.258 305 HB2 GLN 38 HB2 GLN 38 7.487 1.806 8.369 306 HB3 GLN 38 HB3 GLN 38 5.878 1.794 9.096 307 HG2 GLN 38 HG2 GLN 38 6.328 -0.385 10.090 308 HG3 GLN 38 HG3 GLN 38 7.927 -0.391 9.346 309 HE21 GLN 38 HE21 GLN 38 7.182 -0.526 12.157 310 HE22 GLN 38 HE22 GLN 38 7.975 0.808 12.920 311 H LEU 39 H LEU 39 5.105 -1.836 7.107 312 HA LEU 39 HA LEU 39 2.341 -0.853 7.342 313 HB2 LEU 39 HB2 LEU 39 3.673 -2.870 5.594 314 HB3 LEU 39 HB3 LEU 39 2.004 -3.151 6.047 315 HG LEU 39 HG LEU 39 2.938 -0.603 4.747 316 HD11 LEU 39 HD11 LEU 39 3.395 -2.487 3.261 317 HD12 LEU 39 HD12 LEU 39 1.740 -3.059 3.470 318 HD13 LEU 39 HD13 LEU 39 2.047 -1.518 2.667 319 HD21 LEU 39 HD21 LEU 39 0.218 -1.865 5.063 320 HD22 LEU 39 HD22 LEU 39 0.838 -0.514 6.015 321 HD23 LEU 39 HD23 LEU 39 0.572 -0.324 4.281 322 H SER 40 H SER 40 1.917 -1.263 9.482 323 HA SER 40 HA SER 40 2.216 -4.054 10.353 324 HB2 SER 40 HB2 SER 40 1.915 -1.571 12.044 325 HB3 SER 40 HB3 SER 40 2.144 -3.215 12.646 326 HG SER 40 HG SER 40 4.117 -2.076 12.587 327 H ALA 41 H ALA 41 0.486 -4.956 11.627 328 HA ALA 41 HA ALA 41 -2.107 -3.579 11.346 329 HB1 ALA 41 HB1 ALA 41 -1.538 -6.536 11.641 330 HB2 ALA 41 HB2 ALA 41 -3.146 -5.809 11.575 331 HB3 ALA 41 HB3 ALA 41 -2.079 -5.724 10.173 332 H GLU 42 H GLU 42 -2.670 -2.630 13.245 333 HA GLU 42 HA GLU 42 -0.962 -3.468 15.503 334 HB2 GLU 42 HB2 GLU 42 -0.560 -1.185 14.530 335 HB3 GLU 42 HB3 GLU 42 -2.183 -0.740 15.032 336 HG2 GLU 42 HG2 GLU 42 -0.386 0.025 16.556 337 HG3 GLU 42 HG3 GLU 42 -1.618 -0.964 17.334 338 H SER 43 H SER 43 -4.147 -2.212 14.666 339 HA SER 43 HA SER 43 -5.136 -3.311 17.196 340 HB2 SER 43 HB2 SER 43 -6.591 -1.492 15.262 341 HB3 SER 43 HB3 SER 43 -7.086 -1.925 16.894 342 HG SER 43 HG SER 43 -4.709 -0.952 17.192 343 H VAL 44 H VAL 44 -7.361 -4.390 16.921 344 HA VAL 44 HA VAL 44 -6.976 -6.566 15.177 345 HB VAL 44 HB VAL 44 -9.544 -5.677 16.507 346 HG11 VAL 44 HG11 VAL 44 -9.975 -7.225 14.684 347 HG12 VAL 44 HG12 VAL 44 -8.773 -8.345 15.326 348 HG13 VAL 44 HG13 VAL 44 -10.246 -8.013 16.238 349 HG21 VAL 44 HG21 VAL 44 -7.776 -6.050 18.125 350 HG22 VAL 44 HG22 VAL 44 -8.968 -7.346 18.219 351 HG23 VAL 44 HG23 VAL 44 -7.425 -7.625 17.412 352 H GLY 45 H GLY 45 -7.041 -6.450 13.040 353 HA2 GLY 45 HA3 GLY 45 -8.223 -6.437 11.024 354 HA3 GLY 45 HA2 GLY 45 -9.453 -5.432 11.775 355 H GLU 46 H GLU 46 -7.037 -3.752 12.794 356 HA GLU 46 HA GLU 46 -7.191 -1.941 10.540 357 HB2 GLU 46 HB2 GLU 46 -5.672 -1.375 13.068 358 HB3 GLU 46 HB3 GLU 46 -6.505 -0.255 12.008 359 HG2 GLU 46 HG2 GLU 46 -7.945 -2.312 13.586 360 HG3 GLU 46 HG3 GLU 46 -7.542 -0.738 14.262 361 H VAL 47 H VAL 47 -5.650 -1.587 9.132 362 HA VAL 47 HA VAL 47 -2.894 -2.302 9.855 363 HB VAL 47 HB VAL 47 -2.381 -2.175 7.412 364 HG11 VAL 47 HG11 VAL 47 -2.577 -4.292 8.576 365 HG12 VAL 47 HG12 VAL 47 -4.322 -4.298 8.317 366 HG13 VAL 47 HG13 VAL 47 -3.226 -4.428 6.942 367 HG21 VAL 47 HG21 VAL 47 -4.332 -0.928 6.675 368 HG22 VAL 47 HG22 VAL 47 -4.243 -2.477 5.838 369 HG23 VAL 47 HG23 VAL 47 -5.389 -2.252 7.162 370 H TYR 48 H TYR 48 -1.278 -0.848 9.532 371 HA TYR 48 HA TYR 48 -2.199 1.932 9.171 372 HB2 TYR 48 HB2 TYR 48 -1.764 1.420 11.546 373 HB3 TYR 48 HB3 TYR 48 -0.138 0.890 11.137 374 HD1 TYR 48 HD1 TYR 48 -2.199 3.901 10.323 375 HD2 TYR 48 HD2 TYR 48 1.460 2.380 11.868 376 HE1 TYR 48 HE1 TYR 48 -1.384 6.197 10.635 377 HE2 TYR 48 HE2 TYR 48 2.285 4.674 12.188 378 HH TYR 48 HH TYR 48 1.874 6.917 11.299 379 H ILE 49 H ILE 49 -1.152 3.007 7.657 380 HA ILE 49 HA ILE 49 1.246 1.777 6.494 381 HB ILE 49 HB ILE 49 -0.656 3.693 5.135 382 HG12 ILE 49 HG12 ILE 49 -0.560 0.669 5.113 383 HG13 ILE 49 HG13 ILE 49 -1.893 1.684 5.645 384 HG21 ILE 49 HG21 ILE 49 1.593 3.657 4.199 385 HG22 ILE 49 HG22 ILE 49 1.527 1.899 4.065 386 HG23 ILE 49 HG23 ILE 49 0.452 2.899 3.086 387 HD11 ILE 49 HD11 ILE 49 -0.891 1.435 2.821 388 HD12 ILE 49 HD12 ILE 49 -2.336 0.671 3.484 389 HD13 ILE 49 HD13 ILE 49 -2.245 2.428 3.357 390 H LYS 50 H LYS 50 2.936 2.752 7.357 391 HA LYS 50 HA LYS 50 2.870 5.694 7.508 392 HB2 LYS 50 HB2 LYS 50 4.270 5.590 9.519 393 HB3 LYS 50 HB3 LYS 50 2.728 4.783 9.757 394 HG2 LYS 50 HG2 LYS 50 3.776 2.625 9.532 395 HG3 LYS 50 HG3 LYS 50 5.320 3.384 9.147 396 HD2 LYS 50 HD2 LYS 50 3.951 4.067 11.712 397 HD3 LYS 50 HD3 LYS 50 4.816 2.538 11.577 398 HE2 LYS 50 HE2 LYS 50 6.279 4.205 12.522 399 HE3 LYS 50 HE3 LYS 50 6.847 3.774 10.913 400 HZ1 LYS 50 HZ1 LYS 50 5.219 6.190 11.516 401 HZ2 LYS 50 HZ2 LYS 50 5.974 5.807 10.047 402 HZ3 LYS 50 HZ3 LYS 50 6.911 6.181 11.402 403 H SER 51 H SER 51 4.817 6.799 7.199 404 HA SER 51 HA SER 51 6.668 5.580 5.407 405 HB2 SER 51 HB2 SER 51 6.885 8.207 6.907 406 HB3 SER 51 HB3 SER 51 7.752 7.761 5.444 407 HG SER 51 HG SER 51 5.840 9.163 5.221 408 H THR 52 H THR 52 8.482 4.552 5.930 409 HA THR 52 HA THR 52 9.628 4.765 8.548 410 HB THR 52 HB THR 52 11.009 3.843 6.012 411 HG1 THR 52 HG1 THR 52 9.515 2.211 7.807 412 HG21 THR 52 HG21 THR 52 12.272 2.419 7.554 413 HG22 THR 52 HG22 THR 52 11.367 3.088 8.911 414 HG23 THR 52 HG23 THR 52 12.441 4.124 7.974 415 H GLU 53 H GLU 53 11.846 5.308 5.945 416 HA GLU 53 HA GLU 53 12.014 8.120 6.746 417 HB2 GLU 53 HB2 GLU 53 13.785 6.266 5.274 418 HB3 GLU 53 HB3 GLU 53 13.800 7.930 4.712 419 HG2 GLU 53 HG2 GLU 53 15.559 7.565 6.319 420 HG3 GLU 53 HG3 GLU 53 14.364 8.687 6.964 421 H THR 54 H THR 54 11.418 6.188 3.864 422 HA THR 54 HA THR 54 10.253 8.515 2.525 423 HB THR 54 HB THR 54 10.681 6.995 0.442 424 HG1 THR 54 HG1 THR 54 12.898 6.000 1.097 425 HG21 THR 54 HG21 THR 54 12.883 8.466 1.896 426 HG22 THR 54 HG22 THR 54 11.692 9.190 0.815 427 HG23 THR 54 HG23 THR 54 12.882 8.053 0.182 428 H GLY 55 H GLY 55 8.503 6.734 4.254 429 HA2 GLY 55 HA3 GLY 55 7.916 4.596 2.392 430 HA3 GLY 55 HA2 GLY 55 7.456 4.634 4.071 431 H GLN 56 H GLN 56 5.922 7.267 3.712 432 HA GLN 56 HA GLN 56 4.656 7.682 1.362 433 HB2 GLN 56 HB2 GLN 56 3.543 5.237 2.497 434 HB3 GLN 56 HB3 GLN 56 2.324 6.451 2.130 435 HG2 GLN 56 HG2 GLN 56 3.583 6.607 -0.147 436 HG3 GLN 56 HG3 GLN 56 4.164 5.000 0.301 437 HE21 GLN 56 HE21 GLN 56 1.374 6.958 -0.267 438 HE22 GLN 56 HE22 GLN 56 0.286 5.664 -0.665 439 H TYR 57 H TYR 57 3.309 9.378 1.409 440 HA TYR 57 HA TYR 57 1.874 9.901 3.915 441 HB2 TYR 57 HB2 TYR 57 2.964 11.933 2.937 442 HB3 TYR 57 HB3 TYR 57 1.980 11.737 1.499 443 HD1 TYR 57 HD1 TYR 57 1.763 12.362 5.146 444 HD2 TYR 57 HD2 TYR 57 -0.194 12.645 1.384 445 HE1 TYR 57 HE1 TYR 57 -0.017 13.697 6.181 446 HE2 TYR 57 HE2 TYR 57 -1.984 13.982 2.411 447 HH TYR 57 HH TYR 57 -2.967 14.208 4.806 448 H LEU 58 H LEU 58 0.728 7.926 3.474 449 HA LEU 58 HA LEU 58 -0.823 7.894 1.085 450 HB2 LEU 58 HB2 LEU 58 0.047 5.909 2.668 451 HB3 LEU 58 HB3 LEU 58 -1.602 6.071 3.265 452 HG LEU 58 HG LEU 58 -0.976 5.864 0.351 453 HD11 LEU 58 HD11 LEU 58 -1.514 3.469 0.492 454 HD12 LEU 58 HD12 LEU 58 -0.060 3.875 1.402 455 HD13 LEU 58 HD13 LEU 58 -1.581 3.599 2.249 456 HD21 LEU 58 HD21 LEU 58 -3.479 5.306 1.938 457 HD22 LEU 58 HD22 LEU 58 -3.184 6.705 0.907 458 HD23 LEU 58 HD23 LEU 58 -3.303 5.095 0.197 459 H ALA 59 H ALA 59 -2.292 9.170 0.811 460 HA ALA 59 HA ALA 59 -4.097 9.933 2.985 461 HB1 ALA 59 HB1 ALA 59 -2.448 11.644 2.053 462 HB2 ALA 59 HB2 ALA 59 -3.384 11.578 0.563 463 HB3 ALA 59 HB3 ALA 59 -4.156 12.119 2.057 464 H MET 60 H MET 60 -6.043 8.884 2.647 465 HA MET 60 HA MET 60 -6.844 8.326 -0.070 466 HB2 MET 60 HB2 MET 60 -8.453 6.957 0.815 467 HB3 MET 60 HB3 MET 60 -7.373 7.028 2.198 468 HG2 MET 60 HG2 MET 60 -9.821 8.748 1.859 469 HG3 MET 60 HG3 MET 60 -9.770 7.238 2.765 470 HE1 MET 60 HE1 MET 60 -10.764 8.542 4.876 471 HE2 MET 60 HE2 MET 60 -10.031 9.995 5.556 472 HE3 MET 60 HE3 MET 60 -10.773 10.049 3.957 473 H ASP 61 H ASP 61 -7.860 9.682 -1.368 474 HA ASP 61 HA ASP 61 -8.951 12.142 -0.194 475 HB2 ASP 61 HB2 ASP 61 -7.213 12.250 -2.049 476 HB3 ASP 61 HB3 ASP 61 -8.461 11.594 -3.104 477 H THR 62 H THR 62 -10.913 11.600 0.420 478 HA THR 62 HA THR 62 -12.977 10.832 0.537 479 HB THR 62 HB THR 62 -14.452 11.372 -1.270 480 HG1 THR 62 HG1 THR 62 -13.041 12.616 -3.051 481 HG21 THR 62 HG21 THR 62 -13.768 13.137 0.222 482 HG22 THR 62 HG22 THR 62 -13.995 13.777 -1.405 483 HG23 THR 62 HG23 THR 62 -12.368 13.474 -0.794 484 H ASP 63 H ASP 63 -10.732 9.106 -0.820 485 HA ASP 63 HA ASP 63 -10.552 6.837 -0.717 486 HB2 ASP 63 HB2 ASP 63 -13.010 7.215 0.452 487 HB3 ASP 63 HB3 ASP 63 -13.396 6.172 -0.912 488 H GLY 64 H GLY 64 -11.527 8.746 -2.998 489 HA2 GLY 64 HA3 GLY 64 -12.390 6.764 -4.951 490 HA3 GLY 64 HA2 GLY 64 -12.330 8.509 -5.195 491 H LEU 65 H LEU 65 -9.715 8.914 -4.221 492 HA LEU 65 HA LEU 65 -8.038 6.991 -5.651 493 HB2 LEU 65 HB2 LEU 65 -6.939 9.706 -5.520 494 HB3 LEU 65 HB3 LEU 65 -6.701 8.436 -6.732 495 HG LEU 65 HG LEU 65 -9.103 10.310 -6.536 496 HD11 LEU 65 HD11 LEU 65 -8.175 11.354 -8.544 497 HD12 LEU 65 HD12 LEU 65 -7.081 11.494 -7.167 498 HD13 LEU 65 HD13 LEU 65 -6.760 10.306 -8.431 499 HD21 LEU 65 HD21 LEU 65 -9.683 8.172 -7.561 500 HD22 LEU 65 HD22 LEU 65 -9.696 9.480 -8.744 501 HD23 LEU 65 HD23 LEU 65 -8.344 8.351 -8.693 502 H LEU 66 H LEU 66 -5.697 7.379 -4.928 503 HA LEU 66 HA LEU 66 -5.624 7.974 -2.082 504 HB2 LEU 66 HB2 LEU 66 -4.236 5.713 -1.996 505 HB3 LEU 66 HB3 LEU 66 -5.974 5.749 -1.773 506 HG LEU 66 HG LEU 66 -4.763 5.222 -4.485 507 HD11 LEU 66 HD11 LEU 66 -3.797 3.599 -2.959 508 HD12 LEU 66 HD12 LEU 66 -5.402 3.198 -2.347 509 HD13 LEU 66 HD13 LEU 66 -4.979 2.834 -4.021 510 HD21 LEU 66 HD21 LEU 66 -7.352 4.141 -3.399 511 HD22 LEU 66 HD22 LEU 66 -7.266 5.759 -4.099 512 HD23 LEU 66 HD23 LEU 66 -6.852 4.350 -5.099 513 H TYR 67 H TYR 67 -3.681 8.678 -1.347 514 HA TYR 67 HA TYR 67 -1.725 9.398 -3.447 515 HB2 TYR 67 HB2 TYR 67 -2.668 10.738 -0.926 516 HB3 TYR 67 HB3 TYR 67 -1.105 11.142 -1.612 517 HD1 TYR 67 HD1 TYR 67 -4.717 11.298 -2.066 518 HD2 TYR 67 HD2 TYR 67 -0.941 12.479 -3.605 519 HE1 TYR 67 HE1 TYR 67 -5.835 12.870 -3.559 520 HE2 TYR 67 HE2 TYR 67 -2.043 14.075 -5.109 521 HH TYR 67 HH TYR 67 -4.301 14.341 -6.176 522 H GLY 68 H GLY 68 0.570 9.494 -2.775 523 HA2 GLY 68 HA3 GLY 68 1.046 9.193 0.013 524 HA3 GLY 68 HA2 GLY 68 1.626 7.810 -0.886 525 H SER 69 H SER 69 2.527 10.808 0.385 526 HA SER 69 HA SER 69 5.060 9.851 -0.712 527 HB2 SER 69 HB2 SER 69 4.439 11.695 -2.153 528 HB3 SER 69 HB3 SER 69 4.335 12.760 -0.752 529 HG SER 69 HG SER 69 6.482 12.084 -2.207 530 H GLN 70 H GLN 70 4.015 12.330 1.681 531 HA GLN 70 HA GLN 70 6.742 12.158 2.698 532 HB2 GLN 70 HB2 GLN 70 5.720 14.337 2.151 533 HB3 GLN 70 HB3 GLN 70 4.587 14.108 3.473 534 HG2 GLN 70 HG2 GLN 70 6.361 15.570 4.167 535 HG3 GLN 70 HG3 GLN 70 6.469 14.049 5.053 536 HE21 GLN 70 HE21 GLN 70 8.188 12.661 4.655 537 HE22 GLN 70 HE22 GLN 70 9.605 13.170 3.797 538 H THR 71 H THR 71 3.512 11.644 4.052 539 HA THR 71 HA THR 71 4.730 11.190 6.716 540 HB THR 71 HB THR 71 2.365 13.034 6.312 541 HG1 THR 71 HG1 THR 71 5.151 13.626 6.427 542 HG21 THR 71 HG21 THR 71 4.290 12.723 8.623 543 HG22 THR 71 HG22 THR 71 2.626 12.141 8.584 544 HG23 THR 71 HG23 THR 71 2.956 13.873 8.538 545 HA PRO 72 HA PRO 72 0.916 8.729 6.875 546 HB2 PRO 72 HB2 PRO 72 1.311 7.375 9.151 547 HB3 PRO 72 HB3 PRO 72 2.323 7.101 7.726 548 HG2 PRO 72 HG2 PRO 72 3.019 8.394 10.274 549 HG3 PRO 72 HG3 PRO 72 4.087 7.745 9.021 550 HD2 PRO 72 HD2 PRO 72 3.230 10.506 9.460 551 HD3 PRO 72 HD3 PRO 72 4.500 9.887 8.379 552 H ASN 73 H ASN 73 -0.824 10.009 7.180 553 HA ASN 73 HA ASN 73 -1.372 11.234 9.808 554 HB2 ASN 73 HB2 ASN 73 -1.521 12.585 7.612 555 HB3 ASN 73 HB3 ASN 73 -2.914 11.587 7.214 556 HD21 ASN 73 HD21 ASN 73 -4.864 12.084 8.088 557 HD22 ASN 73 HD22 ASN 73 -5.127 13.388 9.189 558 H GLU 74 H GLU 74 -4.104 10.841 10.229 559 HA GLU 74 HA GLU 74 -4.350 8.163 9.036 560 HB2 GLU 74 HB2 GLU 74 -6.266 9.561 10.928 561 HB3 GLU 74 HB3 GLU 74 -6.368 7.889 10.392 562 HG2 GLU 74 HG2 GLU 74 -4.310 7.365 11.565 563 HG3 GLU 74 HG3 GLU 74 -4.153 9.049 12.064 564 H GLU 75 H GLU 75 -4.419 8.823 7.164 565 HA GLU 75 HA GLU 75 -7.113 9.175 6.160 566 HB2 GLU 75 HB2 GLU 75 -4.506 10.014 4.866 567 HB3 GLU 75 HB3 GLU 75 -6.065 10.009 4.046 568 HG2 GLU 75 HG2 GLU 75 -6.894 11.684 5.634 569 HG3 GLU 75 HG3 GLU 75 -5.319 11.694 6.426 570 H CYS 76 H CYS 76 -3.943 7.740 6.334 571 HA CYS 76 HA CYS 76 -4.414 5.862 4.217 572 HB2 CYS 76 HB2 CYS 76 -2.219 4.925 4.937 573 HB3 CYS 76 HB3 CYS 76 -2.169 6.656 4.618 574 HG CYS 76 HG CYS 76 -0.578 5.783 6.882 575 H LEU 77 H LEU 77 -5.943 5.894 6.996 576 HA LEU 77 HA LEU 77 -5.196 3.384 8.145 577 HB2 LEU 77 HB2 LEU 77 -7.018 5.575 8.836 578 HB3 LEU 77 HB3 LEU 77 -7.613 3.985 9.274 579 HG LEU 77 HG LEU 77 -6.378 5.118 11.107 580 HD11 LEU 77 HD11 LEU 77 -5.088 2.603 10.053 581 HD12 LEU 77 HD12 LEU 77 -4.984 3.201 11.709 582 HD13 LEU 77 HD13 LEU 77 -6.538 2.686 11.053 583 HD21 LEU 77 HD21 LEU 77 -4.735 6.310 9.762 584 HD22 LEU 77 HD22 LEU 77 -3.943 5.288 10.960 585 HD23 LEU 77 HD23 LEU 77 -4.009 4.779 9.273 586 H PHE 78 H PHE 78 -5.863 1.500 7.577 587 HA PHE 78 HA PHE 78 -8.245 1.292 5.941 588 HB2 PHE 78 HB2 PHE 78 -5.511 0.146 5.369 589 HB3 PHE 78 HB3 PHE 78 -6.966 -0.302 4.503 590 HD1 PHE 78 HD2 PHE 78 -8.309 2.287 4.181 591 HD2 PHE 78 HD1 PHE 78 -4.201 1.261 3.823 592 HE1 PHE 78 HE2 PHE 78 -7.973 4.198 2.671 593 HE2 PHE 78 HE1 PHE 78 -3.852 3.170 2.313 594 HZ PHE 78 HZ PHE 78 -5.740 4.642 1.734 595 H LEU 79 H LEU 79 -8.981 -0.948 5.724 596 HA LEU 79 HA LEU 79 -8.668 -2.446 8.209 597 HB2 LEU 79 HB2 LEU 79 -10.945 -1.688 7.485 598 HB3 LEU 79 HB3 LEU 79 -10.785 -2.705 6.068 599 HG LEU 79 HG LEU 79 -10.555 -4.676 7.626 600 HD11 LEU 79 HD11 LEU 79 -11.480 -2.656 9.662 601 HD12 LEU 79 HD12 LEU 79 -11.385 -4.401 9.905 602 HD13 LEU 79 HD13 LEU 79 -9.913 -3.467 9.634 603 HD21 LEU 79 HD21 LEU 79 -12.631 -4.194 6.448 604 HD22 LEU 79 HD22 LEU 79 -12.958 -4.817 8.065 605 HD23 LEU 79 HD23 LEU 79 -13.120 -3.093 7.736 606 H GLU 80 H GLU 80 -8.012 -4.533 8.213 607 HA GLU 80 HA GLU 80 -6.555 -5.335 5.809 608 HB2 GLU 80 HB2 GLU 80 -5.232 -5.273 7.800 609 HB3 GLU 80 HB3 GLU 80 -6.423 -6.199 8.697 610 HG2 GLU 80 HG2 GLU 80 -4.567 -7.612 8.233 611 HG3 GLU 80 HG3 GLU 80 -5.924 -8.151 7.253 612 H ARG 81 H ARG 81 -6.982 -7.043 4.647 613 HA ARG 81 HA ARG 81 -9.028 -8.940 5.553 614 HB2 ARG 81 HB2 ARG 81 -10.148 -7.576 3.935 615 HB3 ARG 81 HB3 ARG 81 -8.775 -7.639 2.838 616 HG2 ARG 81 HG2 ARG 81 -9.185 -9.913 2.316 617 HG3 ARG 81 HG3 ARG 81 -10.362 -10.066 3.621 618 HD2 ARG 81 HD2 ARG 81 -10.699 -8.216 1.271 619 HD3 ARG 81 HD3 ARG 81 -11.337 -9.859 1.321 620 HE ARG 81 HE ARG 81 -12.117 -7.794 3.286 621 HH11 ARG 81 HH12 ARG 81 -12.916 -10.362 1.038 622 HH12 ARG 81 HH11 ARG 81 -14.599 -10.386 1.478 623 HH21 ARG 81 HH22 ARG 81 -14.319 -7.802 3.839 624 HH22 ARG 81 HH21 ARG 81 -15.405 -8.911 3.055 625 H LEU 82 H LEU 82 -8.064 -10.809 5.793 626 HA LEU 82 HA LEU 82 -5.480 -11.179 4.531 627 HB2 LEU 82 HB2 LEU 82 -6.824 -12.552 6.844 628 HB3 LEU 82 HB3 LEU 82 -5.305 -13.102 6.164 629 HG LEU 82 HG LEU 82 -5.765 -10.374 7.376 630 HD11 LEU 82 HD11 LEU 82 -4.320 -12.784 8.471 631 HD12 LEU 82 HD12 LEU 82 -4.385 -11.188 9.218 632 HD13 LEU 82 HD13 LEU 82 -5.857 -12.145 9.054 633 HD21 LEU 82 HD21 LEU 82 -4.052 -10.375 5.638 634 HD22 LEU 82 HD22 LEU 82 -3.331 -10.170 7.235 635 HD23 LEU 82 HD23 LEU 82 -3.246 -11.734 6.421 636 H GLU 83 H GLU 83 -5.356 -12.240 2.746 637 HA GLU 83 HA GLU 83 -7.067 -14.495 2.131 638 HB2 GLU 83 HB2 GLU 83 -6.332 -13.102 0.288 639 HB3 GLU 83 HB3 GLU 83 -4.659 -13.222 0.797 640 HG2 GLU 83 HG2 GLU 83 -5.090 -14.533 -1.188 641 HG3 GLU 83 HG3 GLU 83 -4.610 -15.556 0.163 642 H GLU 84 H GLU 84 -5.870 -16.697 1.768 643 HA GLU 84 HA GLU 84 -4.582 -17.004 4.360 644 HB2 GLU 84 HB2 GLU 84 -5.021 -19.494 3.872 645 HB3 GLU 84 HB3 GLU 84 -6.391 -18.448 4.203 646 HG2 GLU 84 HG2 GLU 84 -6.622 -18.228 1.676 647 HG3 GLU 84 HG3 GLU 84 -5.503 -19.586 1.575 648 H ASN 85 H ASN 85 -2.546 -16.477 4.156 649 HA ASN 85 HA ASN 85 -0.359 -16.573 3.657 650 HB2 ASN 85 HB2 ASN 85 -1.204 -19.430 3.604 651 HB3 ASN 85 HB3 ASN 85 0.437 -19.035 3.100 652 HD21 ASN 85 HD21 ASN 85 -1.816 -19.082 5.756 653 HD22 ASN 85 HD22 ASN 85 -0.641 -18.836 7.007 654 H HIS 86 H HIS 86 -2.237 -16.164 1.505 655 HA HIS 86 HA HIS 86 -0.501 -16.788 -0.728 656 HB2 HIS 86 HB2 HIS 86 -3.423 -16.035 -0.769 657 HB3 HIS 86 HB3 HIS 86 -2.443 -16.320 -2.200 658 HD1 HIS 86 HD1 HIS 86 -5.018 -17.951 -0.750 659 HD2 HIS 86 HD2 HIS 86 -1.088 -19.158 -1.432 660 HE1 HIS 86 HE1 HIS 86 -5.068 -20.469 -0.767 661 HE2 HIS 86 HE2 HIS 86 -2.675 -21.179 -1.142 662 H TYR 87 H TYR 87 -2.557 -14.199 0.553 663 HA TYR 87 HA TYR 87 -0.803 -12.139 -0.449 664 HB2 TYR 87 HB2 TYR 87 -3.492 -12.609 -1.749 665 HB3 TYR 87 HB3 TYR 87 -2.637 -11.077 -1.847 666 HD1 TYR 87 HD1 TYR 87 -0.311 -11.082 -2.924 667 HD2 TYR 87 HD2 TYR 87 -3.035 -14.335 -3.267 668 HE1 TYR 87 HE1 TYR 87 0.921 -11.900 -4.889 669 HE2 TYR 87 HE2 TYR 87 -1.809 -15.161 -5.233 670 HH TYR 87 HH TYR 87 -0.305 -14.331 -6.958 671 H ASN 88 H ASN 88 -1.602 -9.962 0.054 672 HA ASN 88 HA ASN 88 -3.465 -9.937 2.340 673 HB2 ASN 88 HB2 ASN 88 -1.166 -8.194 1.517 674 HB3 ASN 88 HB3 ASN 88 -2.439 -7.536 2.533 675 HD21 ASN 88 HD21 ASN 88 -2.655 -8.255 4.645 676 HD22 ASN 88 HD22 ASN 88 -1.422 -9.188 5.423 677 H THR 89 H THR 89 -5.246 -8.607 2.327 678 HA THR 89 HA THR 89 -5.702 -7.047 -0.136 679 HB THR 89 HB THR 89 -7.925 -8.350 1.439 680 HG1 THR 89 HG1 THR 89 -6.081 -9.590 -0.062 681 HG21 THR 89 HG21 THR 89 -8.549 -6.533 -0.074 682 HG22 THR 89 HG22 THR 89 -9.144 -8.076 -0.688 683 HG23 THR 89 HG23 THR 89 -7.710 -7.334 -1.403 684 H TYR 90 H TYR 90 -7.046 -5.103 0.250 685 HA TYR 90 HA TYR 90 -7.113 -4.326 3.069 686 HB2 TYR 90 HB2 TYR 90 -5.757 -2.744 0.883 687 HB3 TYR 90 HB3 TYR 90 -6.101 -2.120 2.493 688 HD1 TYR 90 HD1 TYR 90 -5.020 -3.285 4.483 689 HD2 TYR 90 HD2 TYR 90 -3.814 -3.991 0.466 690 HE1 TYR 90 HE1 TYR 90 -2.884 -4.197 5.290 691 HE2 TYR 90 HE2 TYR 90 -1.676 -4.906 1.262 692 HH TYR 90 HH TYR 90 -0.241 -4.823 3.190 693 H ILE 91 H ILE 91 -8.713 -3.013 3.654 694 HA ILE 91 HA ILE 91 -10.688 -2.131 1.643 695 HB ILE 91 HB ILE 91 -11.000 -1.864 4.598 696 HG12 ILE 91 HG12 ILE 91 -10.272 -4.139 4.226 697 HG13 ILE 91 HG13 ILE 91 -11.948 -4.093 4.757 698 HG21 ILE 91 HG21 ILE 91 -12.656 -0.828 3.147 699 HG22 ILE 91 HG22 ILE 91 -12.950 -2.376 2.356 700 HG23 ILE 91 HG23 ILE 91 -13.376 -2.159 4.053 701 HD11 ILE 91 HD11 ILE 91 -11.647 -5.756 3.017 702 HD12 ILE 91 HD12 ILE 91 -12.674 -4.443 2.440 703 HD13 ILE 91 HD13 ILE 91 -10.988 -4.530 1.933 704 H SER 92 H SER 92 -11.062 -0.031 1.342 705 HA SER 92 HA SER 92 -9.333 1.848 2.700 706 HB2 SER 92 HB2 SER 92 -10.576 3.486 1.172 707 HB3 SER 92 HB3 SER 92 -9.573 2.285 0.359 708 HG SER 92 HG SER 92 -12.265 2.677 0.257 709 H LYS 93 H LYS 93 -9.976 1.983 4.716 710 HA LYS 93 HA LYS 93 -12.534 1.165 5.516 711 HB2 LYS 93 HB2 LYS 93 -10.224 1.188 6.736 712 HB3 LYS 93 HB3 LYS 93 -10.713 2.793 7.255 713 HG2 LYS 93 HG2 LYS 93 -12.879 1.569 8.031 714 HG3 LYS 93 HG3 LYS 93 -11.841 0.137 7.977 715 HD2 LYS 93 HD2 LYS 93 -11.352 2.660 9.560 716 HD3 LYS 93 HD3 LYS 93 -11.806 1.081 10.203 717 HE2 LYS 93 HE2 LYS 93 -9.707 0.137 9.443 718 HE3 LYS 93 HE3 LYS 93 -9.259 1.672 8.697 719 HZ1 LYS 93 HZ1 LYS 93 -9.318 2.684 10.923 720 HZ2 LYS 93 HZ2 LYS 93 -8.175 1.439 10.809 721 HZ3 LYS 93 HZ3 LYS 93 -9.642 1.160 11.599 722 H LYS 94 H LYS 94 -11.477 4.168 4.383 723 HA LYS 94 HA LYS 94 -13.300 5.898 5.617 724 HB2 LYS 94 HB2 LYS 94 -11.593 6.766 4.066 725 HB3 LYS 94 HB3 LYS 94 -12.333 5.875 2.743 726 HG2 LYS 94 HG2 LYS 94 -12.942 8.169 2.554 727 HG3 LYS 94 HG3 LYS 94 -14.374 7.257 3.033 728 HD2 LYS 94 HD2 LYS 94 -14.127 7.987 5.319 729 HD3 LYS 94 HD3 LYS 94 -12.598 8.781 4.936 730 HE2 LYS 94 HE2 LYS 94 -13.843 10.225 3.325 731 HE3 LYS 94 HE3 LYS 94 -15.339 9.515 3.926 732 HZ1 LYS 94 HZ1 LYS 94 -13.378 10.947 5.635 733 HZ2 LYS 94 HZ2 LYS 94 -14.930 10.420 6.080 734 HZ3 LYS 94 HZ3 LYS 94 -14.749 11.668 4.949 735 H HIS 95 H HIS 95 -13.709 4.485 2.360 736 HA HIS 95 HA HIS 95 -16.517 4.193 3.039 737 HB2 HIS 95 HB2 HIS 95 -15.199 4.219 0.343 738 HB3 HIS 95 HB3 HIS 95 -16.909 3.852 0.585 739 HD1 HIS 95 HD1 HIS 95 -14.613 6.598 0.123 740 HD2 HIS 95 HD2 HIS 95 -18.338 6.083 1.879 741 HE1 HIS 95 HE1 HIS 95 -15.511 8.906 0.477 742 HE2 HIS 95 HE2 HIS 95 -17.791 8.588 1.501 743 H ALA 96 H ALA 96 -14.698 2.292 4.115 744 HA ALA 96 HA ALA 96 -14.815 -0.217 3.084 745 HB1 ALA 96 HB1 ALA 96 -15.613 0.529 5.898 746 HB2 ALA 96 HB2 ALA 96 -15.070 -1.059 5.356 747 HB3 ALA 96 HB3 ALA 96 -13.960 0.310 5.322 748 H GLU 97 H GLU 97 -17.517 1.610 4.443 749 HA GLU 97 HA GLU 97 -19.464 -0.374 4.506 750 HB2 GLU 97 HB2 GLU 97 -21.104 1.476 4.364 751 HB3 GLU 97 HB3 GLU 97 -19.832 1.772 5.541 752 HG2 GLU 97 HG2 GLU 97 -18.811 3.388 4.219 753 HG3 GLU 97 HG3 GLU 97 -19.622 2.838 2.756 754 H LYS 98 H LYS 98 -18.301 1.508 1.763 755 HA LYS 98 HA LYS 98 -20.545 0.635 0.123 756 HB2 LYS 98 HB2 LYS 98 -18.179 2.402 -0.495 757 HB3 LYS 98 HB3 LYS 98 -19.435 1.999 -1.660 758 HG2 LYS 98 HG2 LYS 98 -21.095 2.978 -0.064 759 HG3 LYS 98 HG3 LYS 98 -19.728 3.552 0.892 760 HD2 LYS 98 HD2 LYS 98 -18.926 4.851 -1.006 761 HD3 LYS 98 HD3 LYS 98 -20.253 4.241 -2.000 762 HE2 LYS 98 HE2 LYS 98 -21.849 5.253 -0.409 763 HE3 LYS 98 HE3 LYS 98 -20.485 5.926 0.483 764 HZ1 LYS 98 HZ1 LYS 98 -19.883 7.228 -1.444 765 HZ2 LYS 98 HZ2 LYS 98 -21.506 7.527 -1.045 766 HZ3 LYS 98 HZ3 LYS 98 -21.129 6.528 -2.359 767 H ASN 99 H ASN 99 -17.733 -0.726 1.073 768 HA ASN 99 HA ASN 99 -16.931 -2.792 0.526 769 HB2 ASN 99 HB2 ASN 99 -18.748 -2.544 -1.871 770 HB3 ASN 99 HB3 ASN 99 -17.644 -3.894 -1.661 771 HD21 ASN 99 HD21 ASN 99 -19.263 -2.375 1.031 772 HD22 ASN 99 HD22 ASN 99 -20.320 -3.697 1.387 773 H TRP 100 H TRP 100 -16.002 -0.039 -0.404 774 HA TRP 100 HA TRP 100 -14.432 -0.581 -2.731 775 HB2 TRP 100 HB2 TRP 100 -14.302 1.612 -0.655 776 HB3 TRP 100 HB3 TRP 100 -13.282 1.554 -2.084 777 HD1 TRP 100 HD1 TRP 100 -16.742 0.474 -2.955 778 HE1 TRP 100 HE1 TRP 100 -18.000 2.411 -4.115 779 HE3 TRP 100 HE3 TRP 100 -13.505 4.241 -1.898 780 HZ2 TRP 100 HZ2 TRP 100 -17.627 5.198 -4.523 781 HZ3 TRP 100 HZ3 TRP 100 -13.992 6.519 -2.707 782 HH2 TRP 100 HH2 TRP 100 -16.014 6.988 -3.983 783 H PHE 101 H PHE 101 -12.463 -1.545 -2.808 784 HA PHE 101 HA PHE 101 -11.079 -1.983 -0.250 785 HB2 PHE 101 HB2 PHE 101 -10.478 -3.180 -2.967 786 HB3 PHE 101 HB3 PHE 101 -9.760 -3.647 -1.433 787 HD1 PHE 101 HD1 PHE 101 -12.971 -3.565 -3.279 788 HD2 PHE 101 HD2 PHE 101 -10.705 -5.364 -0.159 789 HE1 PHE 101 HE1 PHE 101 -14.676 -5.318 -3.062 790 HE2 PHE 101 HE2 PHE 101 -12.415 -7.123 0.067 791 HZ PHE 101 HZ PHE 101 -14.397 -7.102 -1.401 792 H VAL 102 H VAL 102 -8.915 -1.160 -0.027 793 HA VAL 102 HA VAL 102 -8.345 0.962 -1.945 794 HB VAL 102 HB VAL 102 -8.160 1.606 0.379 795 HG11 VAL 102 HG11 VAL 102 -6.053 -0.533 0.633 796 HG12 VAL 102 HG12 VAL 102 -6.469 0.658 1.866 797 HG13 VAL 102 HG13 VAL 102 -7.655 -0.550 1.372 798 HG21 VAL 102 HG21 VAL 102 -6.667 2.691 -1.189 799 HG22 VAL 102 HG22 VAL 102 -5.883 2.513 0.381 800 HG23 VAL 102 HG23 VAL 102 -5.458 1.430 -0.945 801 H GLY 103 H GLY 103 -7.153 0.531 -3.657 802 HA2 GLY 103 HA3 GLY 103 -4.916 -1.344 -3.349 803 HA3 GLY 103 HA2 GLY 103 -6.045 -1.574 -4.663 804 H LEU 104 H LEU 104 -3.255 -1.116 -4.726 805 HA LEU 104 HA LEU 104 -3.336 1.110 -6.612 806 HB2 LEU 104 HB2 LEU 104 -0.820 1.451 -5.902 807 HB3 LEU 104 HB3 LEU 104 -2.126 2.294 -5.099 808 HG LEU 104 HG LEU 104 -2.044 0.618 -3.281 809 HD11 LEU 104 HD11 LEU 104 0.344 -0.408 -4.780 810 HD12 LEU 104 HD12 LEU 104 -0.066 -0.827 -3.115 811 HD13 LEU 104 HD13 LEU 104 -1.152 -1.281 -4.427 812 HD21 LEU 104 HD21 LEU 104 -0.850 2.727 -3.080 813 HD22 LEU 104 HD22 LEU 104 0.043 1.426 -2.294 814 HD23 LEU 104 HD23 LEU 104 0.556 2.015 -3.876 815 H LYS 105 H LYS 105 -2.135 0.731 -8.535 816 HA LYS 105 HA LYS 105 -1.218 -2.076 -8.599 817 HB2 LYS 105 HB2 LYS 105 -2.754 -1.126 -10.409 818 HB3 LYS 105 HB3 LYS 105 -1.348 -0.237 -10.980 819 HG2 LYS 105 HG2 LYS 105 -0.446 -2.848 -10.721 820 HG3 LYS 105 HG3 LYS 105 -2.075 -3.003 -11.385 821 HD2 LYS 105 HD2 LYS 105 -1.492 -1.414 -13.155 822 HD3 LYS 105 HD3 LYS 105 0.135 -1.280 -12.481 823 HE2 LYS 105 HE2 LYS 105 0.085 -2.795 -14.402 824 HE3 LYS 105 HE3 LYS 105 0.534 -3.636 -12.920 825 HZ1 LYS 105 HZ1 LYS 105 -2.030 -3.760 -14.395 826 HZ2 LYS 105 HZ2 LYS 105 -1.904 -4.273 -12.785 827 HZ3 LYS 105 HZ3 LYS 105 -0.986 -5.030 -13.986 828 H LYS 106 H LYS 106 0.745 -2.281 -7.849 829 HA LYS 106 HA LYS 106 2.606 -0.183 -7.895 830 HB2 LYS 106 HB2 LYS 106 3.674 -1.419 -6.390 831 HB3 LYS 106 HB3 LYS 106 2.400 -2.616 -6.575 832 HG2 LYS 106 HG2 LYS 106 4.790 -2.633 -8.373 833 HG3 LYS 106 HG3 LYS 106 4.864 -3.343 -6.762 834 HD2 LYS 106 HD2 LYS 106 3.179 -4.930 -7.291 835 HD3 LYS 106 HD3 LYS 106 2.770 -4.094 -8.790 836 HE2 LYS 106 HE2 LYS 106 4.751 -4.764 -9.837 837 HE3 LYS 106 HE3 LYS 106 5.511 -5.211 -8.310 838 HZ1 LYS 106 HZ1 LYS 106 3.987 -7.069 -8.134 839 HZ2 LYS 106 HZ2 LYS 106 4.848 -7.150 -9.584 840 HZ3 LYS 106 HZ3 LYS 106 3.237 -6.632 -9.585 841 H ASN 107 H ASN 107 1.965 -2.689 -10.252 842 HA ASN 107 HA ASN 107 4.582 -2.461 -11.398 843 HB2 ASN 107 HB2 ASN 107 3.389 -4.500 -11.807 844 HB3 ASN 107 HB3 ASN 107 2.006 -3.630 -12.458 845 HD21 ASN 107 HD21 ASN 107 5.327 -4.583 -13.068 846 HD22 ASN 107 HD22 ASN 107 5.250 -4.419 -14.783 847 H GLY 108 H GLY 108 1.813 -0.565 -11.352 848 HA2 GLY 108 HA3 GLY 108 2.871 1.105 -13.540 849 HA3 GLY 108 HA2 GLY 108 1.162 1.010 -13.143 850 H SER 109 H SER 109 0.568 1.629 -10.975 851 HA SER 109 HA SER 109 1.937 3.752 -9.703 852 HB2 SER 109 HB2 SER 109 1.363 4.803 -11.931 853 HB3 SER 109 HB3 SER 109 -0.338 4.530 -11.561 854 HG SER 109 HG SER 109 1.304 6.514 -10.729 855 H CYS 110 H CYS 110 0.248 4.898 -8.246 856 HA CYS 110 HA CYS 110 -1.225 2.854 -6.936 857 HB2 CYS 110 HB2 CYS 110 -0.026 4.604 -5.729 858 HB3 CYS 110 HB3 CYS 110 -1.029 5.843 -6.473 859 HG CYS 110 HG CYS 110 -2.608 5.946 -4.469 860 H LYS 111 H LYS 111 -3.603 2.952 -6.510 861 HA LYS 111 HA LYS 111 -4.741 3.539 -9.131 862 HB2 LYS 111 HB2 LYS 111 -4.083 0.969 -8.085 863 HB3 LYS 111 HB3 LYS 111 -5.836 1.100 -8.159 864 HG2 LYS 111 HG2 LYS 111 -4.910 0.151 -10.210 865 HG3 LYS 111 HG3 LYS 111 -5.722 1.690 -10.511 866 HD2 LYS 111 HD2 LYS 111 -3.514 2.816 -10.448 867 HD3 LYS 111 HD3 LYS 111 -2.744 1.240 -10.261 868 HE2 LYS 111 HE2 LYS 111 -2.595 1.794 -12.557 869 HE3 LYS 111 HE3 LYS 111 -3.852 0.568 -12.421 870 HZ1 LYS 111 HZ1 LYS 111 -5.523 2.303 -12.547 871 HZ2 LYS 111 HZ2 LYS 111 -4.498 2.372 -13.898 872 HZ3 LYS 111 HZ3 LYS 111 -4.320 3.494 -12.637 873 H ARG 112 H ARG 112 -7.051 3.521 -9.081 874 HA ARG 112 HA ARG 112 -7.787 5.046 -6.772 875 HB2 ARG 112 HB2 ARG 112 -9.032 5.028 -9.518 876 HB3 ARG 112 HB3 ARG 112 -9.191 6.273 -8.279 877 HG2 ARG 112 HG2 ARG 112 -6.936 6.945 -8.528 878 HG3 ARG 112 HG3 ARG 112 -6.546 5.527 -9.510 879 HD2 ARG 112 HD2 ARG 112 -7.860 6.361 -11.331 880 HD3 ARG 112 HD3 ARG 112 -8.504 7.670 -10.339 881 HE ARG 112 HE ARG 112 -5.609 7.576 -10.738 882 HH11 ARG 112 HH12 ARG 112 -8.696 9.003 -11.596 883 HH12 ARG 112 HH11 ARG 112 -7.983 10.463 -12.218 884 HH21 ARG 112 HH22 ARG 112 -4.683 9.492 -11.596 885 HH22 ARG 112 HH21 ARG 112 -5.717 10.722 -12.256 886 H GLY 113 H GLY 113 -10.177 5.143 -6.339 887 HA2 GLY 113 HA3 GLY 113 -10.745 2.610 -5.216 888 HA3 GLY 113 HA2 GLY 113 -11.725 4.063 -5.078 889 HA PRO 114 HA PRO 114 -14.667 2.630 -8.175 890 HB2 PRO 114 HB2 PRO 114 -13.975 3.385 -10.739 891 HB3 PRO 114 HB3 PRO 114 -14.843 4.401 -9.585 892 HG2 PRO 114 HG2 PRO 114 -11.930 4.356 -10.253 893 HG3 PRO 114 HG3 PRO 114 -12.997 5.749 -9.990 894 HD2 PRO 114 HD2 PRO 114 -11.318 4.936 -8.087 895 HD3 PRO 114 HD3 PRO 114 -12.953 5.498 -7.676 896 H ARG 115 H ARG 115 -11.395 1.682 -8.652 897 HA ARG 115 HA ARG 115 -12.241 -0.536 -10.369 898 HB2 ARG 115 HB2 ARG 115 -10.440 1.357 -11.060 899 HB3 ARG 115 HB3 ARG 115 -9.374 0.218 -10.249 900 HG2 ARG 115 HG2 ARG 115 -9.442 -0.210 -12.631 901 HG3 ARG 115 HG3 ARG 115 -10.148 -1.560 -11.736 902 HD2 ARG 115 HD2 ARG 115 -12.392 -0.596 -12.158 903 HD3 ARG 115 HD3 ARG 115 -11.635 0.640 -13.162 904 HE ARG 115 HE ARG 115 -10.739 -1.494 -14.395 905 HH11 ARG 115 HH12 ARG 115 -13.944 -0.845 -13.142 906 HH12 ARG 115 HH11 ARG 115 -14.737 -1.947 -14.229 907 HH21 ARG 115 HH22 ARG 115 -11.784 -2.910 -15.865 908 HH22 ARG 115 HH21 ARG 115 -13.516 -3.089 -15.802 909 H THR 116 H THR 116 -11.189 0.392 -7.342 910 HA THR 116 HA THR 116 -9.631 -1.991 -6.837 911 HB THR 116 HB THR 116 -9.347 -0.947 -4.563 912 HG1 THR 116 HG1 THR 116 -10.518 0.739 -4.151 913 HG21 THR 116 HG21 THR 116 -7.658 -0.788 -6.324 914 HG22 THR 116 HG22 THR 116 -7.729 0.699 -5.379 915 HG23 THR 116 HG23 THR 116 -8.472 0.635 -6.977 916 H HIS 117 H HIS 117 -10.396 -3.692 -6.124 917 HA HIS 117 HA HIS 117 -12.203 -4.781 -4.627 918 HB2 HIS 117 HB2 HIS 117 -14.418 -4.764 -5.734 919 HB3 HIS 117 HB3 HIS 117 -13.996 -3.142 -5.216 920 HD1 HIS 117 HD1 HIS 117 -14.329 -1.370 -6.903 921 HD2 HIS 117 HD2 HIS 117 -13.992 -5.130 -8.646 922 HE1 HIS 117 HE1 HIS 117 -14.822 -1.038 -9.347 923 HE2 HIS 117 HE2 HIS 117 -14.855 -3.363 -10.321 924 H TYR 118 H TYR 118 -13.383 -6.746 -6.412 925 HA TYR 118 HA TYR 118 -10.888 -7.353 -7.795 926 HB2 TYR 118 HB2 TYR 118 -12.552 -9.046 -6.670 927 HB3 TYR 118 HB3 TYR 118 -13.450 -8.899 -8.174 928 HD1 TYR 118 HD2 TYR 118 -12.548 -9.812 -10.256 929 HD2 TYR 118 HD1 TYR 118 -10.420 -10.176 -6.589 930 HE1 TYR 118 HE2 TYR 118 -11.117 -11.541 -11.263 931 HE2 TYR 118 HE1 TYR 118 -8.986 -11.906 -7.586 932 HH TYR 118 HH TYR 118 -9.119 -13.561 -9.454 933 H GLY 119 H GLY 119 -11.068 -5.366 -8.875 934 HA2 GLY 119 HA3 GLY 119 -12.406 -5.582 -11.478 935 HA3 GLY 119 HA2 GLY 119 -11.836 -4.063 -10.757 936 H GLN 120 H GLN 120 -9.505 -4.865 -9.727 937 HA GLN 120 HA GLN 120 -7.812 -5.467 -12.040 938 HB2 GLN 120 HB2 GLN 120 -7.912 -3.000 -10.342 939 HB3 GLN 120 HB3 GLN 120 -6.337 -3.563 -10.910 940 HG2 GLN 120 HG2 GLN 120 -8.709 -2.872 -12.633 941 HG3 GLN 120 HG3 GLN 120 -7.269 -1.883 -12.394 942 HE21 GLN 120 HE21 GLN 120 -8.584 -4.713 -13.900 943 HE22 GLN 120 HE22 GLN 120 -7.254 -5.018 -14.965 944 H LYS 121 H LYS 121 -5.524 -5.804 -11.340 945 HA LYS 121 HA LYS 121 -5.529 -7.567 -9.017 946 HB2 LYS 121 HB2 LYS 121 -3.314 -7.235 -11.052 947 HB3 LYS 121 HB3 LYS 121 -3.564 -8.573 -9.937 948 HG2 LYS 121 HG2 LYS 121 -5.387 -7.873 -12.233 949 HG3 LYS 121 HG3 LYS 121 -4.181 -9.162 -12.235 950 HD2 LYS 121 HD2 LYS 121 -5.353 -10.401 -10.607 951 HD3 LYS 121 HD3 LYS 121 -6.369 -9.026 -10.177 952 HE2 LYS 121 HE2 LYS 121 -7.583 -10.707 -11.500 953 HE3 LYS 121 HE3 LYS 121 -7.497 -9.148 -12.317 954 HZ1 LYS 121 HZ1 LYS 121 -5.868 -9.953 -13.793 955 HZ2 LYS 121 HZ2 LYS 121 -7.061 -11.159 -13.729 956 HZ3 LYS 121 HZ3 LYS 121 -5.604 -11.360 -12.880 957 H ALA 122 H ALA 122 -5.084 -4.483 -9.552 958 HA ALA 122 HA ALA 122 -2.735 -3.777 -8.156 959 HB1 ALA 122 HB1 ALA 122 -5.356 -2.302 -8.443 960 HB2 ALA 122 HB2 ALA 122 -3.829 -1.595 -7.916 961 HB3 ALA 122 HB3 ALA 122 -3.993 -2.213 -9.560 962 H ILE 123 H ILE 123 -5.722 -5.082 -7.242 963 HA ILE 123 HA ILE 123 -5.594 -4.186 -4.483 964 HB ILE 123 HB ILE 123 -7.731 -4.343 -5.830 965 HG12 ILE 123 HG12 ILE 123 -7.392 -5.672 -3.151 966 HG13 ILE 123 HG13 ILE 123 -8.013 -4.064 -3.510 967 HG21 ILE 123 HG21 ILE 123 -7.364 -7.290 -5.376 968 HG22 ILE 123 HG22 ILE 123 -8.842 -6.507 -5.946 969 HG23 ILE 123 HG23 ILE 123 -7.375 -6.452 -6.929 970 HD11 ILE 123 HD11 ILE 123 -9.405 -6.665 -4.101 971 HD12 ILE 123 HD12 ILE 123 -9.784 -5.553 -2.784 972 HD13 ILE 123 HD13 ILE 123 -10.029 -5.054 -4.457 973 H LEU 124 H LEU 124 -3.921 -6.404 -6.129 974 HA LEU 124 HA LEU 124 -4.225 -8.552 -4.138 975 HB2 LEU 124 HB2 LEU 124 -4.442 -9.014 -6.640 976 HB3 LEU 124 HB3 LEU 124 -2.725 -8.679 -6.752 977 HG LEU 124 HG LEU 124 -2.310 -10.547 -5.148 978 HD11 LEU 124 HD11 LEU 124 -4.109 -12.149 -4.744 979 HD12 LEU 124 HD12 LEU 124 -4.488 -10.568 -4.061 980 HD13 LEU 124 HD13 LEU 124 -5.247 -11.081 -5.567 981 HD21 LEU 124 HD21 LEU 124 -3.798 -11.264 -7.673 982 HD22 LEU 124 HD22 LEU 124 -2.081 -10.878 -7.552 983 HD23 LEU 124 HD23 LEU 124 -2.716 -12.329 -6.775 984 H PHE 125 H PHE 125 -2.987 -7.622 -2.478 985 HA PHE 125 HA PHE 125 -0.411 -6.464 -3.133 986 HB2 PHE 125 HB2 PHE 125 -2.002 -6.628 -0.566 987 HB3 PHE 125 HB3 PHE 125 -0.436 -5.854 -0.692 988 HD1 PHE 125 HD1 PHE 125 -3.836 -5.755 -2.178 989 HD2 PHE 125 HD2 PHE 125 -0.336 -3.585 -1.112 990 HE1 PHE 125 HE1 PHE 125 -4.940 -3.660 -2.835 991 HE2 PHE 125 HE2 PHE 125 -1.438 -1.485 -1.757 992 HZ PHE 125 HZ PHE 125 -3.746 -1.484 -2.485 993 H LEU 126 H LEU 126 1.498 -7.105 -2.450 994 HA LEU 126 HA LEU 126 1.721 -9.329 -0.561 995 HB2 LEU 126 HB2 LEU 126 2.101 -10.184 -2.868 996 HB3 LEU 126 HB3 LEU 126 3.371 -8.995 -3.077 997 HG LEU 126 HG LEU 126 4.644 -10.079 -1.243 998 HD11 LEU 126 HD11 LEU 126 3.965 -12.305 -0.487 999 HD12 LEU 126 HD12 LEU 126 2.781 -11.077 -0.037 1000 HD13 LEU 126 HD13 LEU 126 2.461 -12.151 -1.397 1001 HD21 LEU 126 HD21 LEU 126 5.313 -12.046 -2.535 1002 HD22 LEU 126 HD22 LEU 126 3.864 -11.889 -3.525 1003 HD23 LEU 126 HD23 LEU 126 5.102 -10.634 -3.571 1004 HA PRO 127 HA PRO 127 4.438 -6.080 0.847 1005 HB2 PRO 127 HB2 PRO 127 4.002 -6.529 3.483 1006 HB3 PRO 127 HB3 PRO 127 2.794 -5.772 2.441 1007 HG2 PRO 127 HG2 PRO 127 2.749 -8.414 3.683 1008 HG3 PRO 127 HG3 PRO 127 1.435 -7.533 2.889 1009 HD2 PRO 127 HD2 PRO 127 3.184 -9.629 1.808 1010 HD3 PRO 127 HD3 PRO 127 1.652 -9.000 1.164 1011 H LEU 128 H LEU 128 6.520 -6.580 0.482 1012 HA LEU 128 HA LEU 128 7.743 -8.779 2.005 1013 HB2 LEU 128 HB2 LEU 128 8.821 -7.288 -0.396 1014 HB3 LEU 128 HB3 LEU 128 9.560 -8.680 0.371 1015 HG LEU 128 HG LEU 128 6.903 -8.694 -1.065 1016 HD11 LEU 128 HD11 LEU 128 8.769 -8.376 -2.597 1017 HD12 LEU 128 HD12 LEU 128 9.591 -9.772 -1.901 1018 HD13 LEU 128 HD13 LEU 128 8.074 -9.987 -2.774 1019 HD21 LEU 128 HD21 LEU 128 8.527 -10.951 0.103 1020 HD22 LEU 128 HD22 LEU 128 7.001 -10.335 0.736 1021 HD23 LEU 128 HD23 LEU 128 7.048 -11.124 -0.841 1022 HA PRO 129 HA PRO 129 9.349 -5.347 4.320 1023 HB2 PRO 129 HB2 PRO 129 10.434 -6.699 6.362 1024 HB3 PRO 129 HB3 PRO 129 8.679 -6.609 6.134 1025 HG2 PRO 129 HG2 PRO 129 10.566 -8.839 5.477 1026 HG3 PRO 129 HG3 PRO 129 8.940 -8.917 6.178 1027 HD2 PRO 129 HD2 PRO 129 9.533 -9.337 3.508 1028 HD3 PRO 129 HD3 PRO 129 7.937 -8.872 4.130 1029 H VAL 130 H VAL 130 11.415 -4.396 4.866 1030 HA VAL 130 HA VAL 130 12.942 -4.647 2.513 1031 HB VAL 130 HB VAL 130 13.882 -3.247 4.995 1032 HG11 VAL 130 HG11 VAL 130 14.505 -2.780 2.091 1033 HG12 VAL 130 HG12 VAL 130 15.076 -1.792 3.436 1034 HG13 VAL 130 HG13 VAL 130 15.590 -3.473 3.297 1035 HG21 VAL 130 HG21 VAL 130 12.097 -2.205 2.804 1036 HG22 VAL 130 HG22 VAL 130 11.626 -2.505 4.476 1037 HG23 VAL 130 HG23 VAL 130 12.793 -1.236 4.103 1038 H SER 131 H SER 131 14.947 -5.319 2.079 1039 HA SER 131 HA SER 131 15.699 -7.699 3.523 1040 HB2 SER 131 HB2 SER 131 16.834 -6.536 0.967 1041 HB3 SER 131 HB3 SER 131 17.121 -8.162 1.591 1042 HG SER 131 HG SER 131 14.651 -8.233 1.518 1043 H SER 132 H SER 132 17.271 -7.809 4.941 1044 HA SER 132 HA SER 132 19.441 -5.836 4.842 1045 HB2 SER 132 HB2 SER 132 17.785 -5.362 6.693 1046 HB3 SER 132 HB3 SER 132 18.205 -6.926 7.386 1047 HG SER 132 HG SER 132 20.229 -6.209 7.833 1048 H ASP 133 H ASP 133 21.315 -6.847 4.531 1049 HA ASP 133 HA ASP 133 21.534 -9.651 5.411 1050 HB2 ASP 133 HB2 ASP 133 21.536 -9.263 2.919 1051 HB3 ASP 133 HB3 ASP 133 23.035 -8.361 3.123 Start of MODEL 14 1 H1 TYR 1 H1 TYR 1 15.495 -11.409 8.660 2 H2 TYR 1 H2 TYR 1 16.187 -10.367 9.803 3 H3 TYR 1 H3 TYR 1 17.149 -11.038 8.579 4 HA TYR 1 HA TYR 1 16.653 -8.737 8.098 5 HB2 TYR 1 HB2 TYR 1 15.126 -10.634 6.292 6 HB3 TYR 1 HB3 TYR 1 15.682 -9.021 5.853 7 HD1 TYR 1 HD2 TYR 1 18.331 -8.699 6.237 8 HD2 TYR 1 HD1 TYR 1 16.377 -12.418 5.584 9 HE1 TYR 1 HE2 TYR 1 20.447 -9.663 5.440 10 HE2 TYR 1 HE1 TYR 1 18.487 -13.393 4.786 11 HH TYR 1 HH TYR 1 21.524 -11.713 5.060 12 H LYS 2 H LYS 2 15.357 -7.323 9.153 13 HA LYS 2 HA LYS 2 12.590 -7.371 8.217 14 HB2 LYS 2 HB2 LYS 2 11.702 -6.679 10.374 15 HB3 LYS 2 HB3 LYS 2 12.525 -8.223 10.537 16 HG2 LYS 2 HG2 LYS 2 14.412 -7.183 11.579 17 HG3 LYS 2 HG3 LYS 2 13.768 -5.574 11.249 18 HD2 LYS 2 HD2 LYS 2 13.355 -6.110 13.555 19 HD3 LYS 2 HD3 LYS 2 11.817 -6.123 12.692 20 HE2 LYS 2 HE2 LYS 2 11.942 -8.567 12.531 21 HE3 LYS 2 HE3 LYS 2 13.466 -8.541 13.417 22 HZ1 LYS 2 HZ1 LYS 2 12.224 -7.459 15.271 23 HZ2 LYS 2 HZ2 LYS 2 11.752 -9.055 14.947 24 HZ3 LYS 2 HZ3 LYS 2 10.783 -7.763 14.427 25 H LYS 3 H LYS 3 11.856 -5.458 7.610 26 HA LYS 3 HA LYS 3 12.912 -2.952 8.490 27 HB2 LYS 3 HB2 LYS 3 13.421 -3.876 5.649 28 HB3 LYS 3 HB3 LYS 3 13.430 -2.186 6.120 29 HG2 LYS 3 HG2 LYS 3 15.287 -2.667 7.672 30 HG3 LYS 3 HG3 LYS 3 15.304 -4.331 7.088 31 HD2 LYS 3 HD2 LYS 3 16.994 -3.206 5.885 32 HD3 LYS 3 HD3 LYS 3 15.639 -3.377 4.770 33 HE2 LYS 3 HE2 LYS 3 16.542 -1.156 4.565 34 HE3 LYS 3 HE3 LYS 3 14.953 -1.060 5.325 35 HZ1 LYS 3 HZ1 LYS 3 15.942 -0.712 7.440 36 HZ2 LYS 3 HZ2 LYS 3 16.721 0.346 6.363 37 HZ3 LYS 3 HZ3 LYS 3 17.491 -1.077 6.860 38 HA PRO 4 HA PRO 4 8.990 -1.255 7.073 39 HB2 PRO 4 HB2 PRO 4 10.130 0.223 4.884 40 HB3 PRO 4 HB3 PRO 4 9.488 0.833 6.407 41 HG2 PRO 4 HG2 PRO 4 12.271 0.336 5.621 42 HG3 PRO 4 HG3 PRO 4 11.633 1.356 6.920 43 HD2 PRO 4 HD2 PRO 4 12.929 -0.975 7.387 44 HD3 PRO 4 HD3 PRO 4 11.635 -0.367 8.442 45 H LYS 5 H LYS 5 7.546 -2.013 5.752 46 HA LYS 5 HA LYS 5 8.273 -4.124 3.951 47 HB2 LYS 5 HB2 LYS 5 6.499 -4.605 5.417 48 HB3 LYS 5 HB3 LYS 5 5.701 -3.076 5.097 49 HG2 LYS 5 HG2 LYS 5 5.942 -4.797 2.745 50 HG3 LYS 5 HG3 LYS 5 4.980 -5.483 4.057 51 HD2 LYS 5 HD2 LYS 5 3.689 -3.349 4.136 52 HD3 LYS 5 HD3 LYS 5 4.576 -2.815 2.707 53 HE2 LYS 5 HE2 LYS 5 3.676 -4.636 1.413 54 HE3 LYS 5 HE3 LYS 5 2.906 -5.322 2.844 55 HZ1 LYS 5 HZ1 LYS 5 1.320 -4.117 1.491 56 HZ2 LYS 5 HZ2 LYS 5 2.241 -2.703 1.612 57 HZ3 LYS 5 HZ3 LYS 5 1.508 -3.357 2.990 58 H LEU 6 H LEU 6 7.716 -4.340 1.829 59 HA LEU 6 HA LEU 6 7.488 -1.859 0.278 60 HB2 LEU 6 HB2 LEU 6 9.321 -3.652 -0.021 61 HB3 LEU 6 HB3 LEU 6 8.070 -4.652 -0.713 62 HG LEU 6 HG LEU 6 8.955 -1.997 -1.871 63 HD11 LEU 6 HD11 LEU 6 9.628 -4.808 -2.698 64 HD12 LEU 6 HD12 LEU 6 10.153 -3.328 -3.502 65 HD13 LEU 6 HD13 LEU 6 10.728 -3.699 -1.874 66 HD21 LEU 6 HD21 LEU 6 7.261 -4.217 -3.040 67 HD22 LEU 6 HD22 LEU 6 6.685 -2.621 -2.566 68 HD23 LEU 6 HD23 LEU 6 7.816 -2.786 -3.912 69 H LEU 7 H LEU 7 5.813 -1.555 -1.197 70 HA LEU 7 HA LEU 7 3.567 -3.428 -0.999 71 HB2 LEU 7 HB2 LEU 7 2.930 -1.128 -0.801 72 HB3 LEU 7 HB3 LEU 7 3.821 -0.695 -2.249 73 HG LEU 7 HG LEU 7 1.802 -2.701 -2.852 74 HD11 LEU 7 HD11 LEU 7 0.855 -0.102 -1.634 75 HD12 LEU 7 HD12 LEU 7 -0.157 -1.282 -2.469 76 HD13 LEU 7 HD13 LEU 7 0.621 -1.709 -0.946 77 HD21 LEU 7 HD21 LEU 7 1.192 -1.075 -4.544 78 HD22 LEU 7 HD22 LEU 7 2.206 0.138 -3.767 79 HD23 LEU 7 HD23 LEU 7 2.939 -1.295 -4.487 80 H TYR 8 H TYR 8 4.367 -5.175 -2.188 81 HA TYR 8 HA TYR 8 4.697 -4.683 -5.067 82 HB2 TYR 8 HB2 TYR 8 6.314 -6.110 -3.764 83 HB3 TYR 8 HB3 TYR 8 5.004 -7.236 -3.452 84 HD1 TYR 8 HD1 TYR 8 4.121 -8.643 -5.278 85 HD2 TYR 8 HD2 TYR 8 7.437 -6.044 -5.878 86 HE1 TYR 8 HE1 TYR 8 4.688 -9.853 -7.339 87 HE2 TYR 8 HE2 TYR 8 8.011 -7.246 -7.946 88 HH TYR 8 HH TYR 8 7.646 -9.480 -8.957 89 H CYS 9 H CYS 9 2.468 -4.260 -5.673 90 HA CYS 9 HA CYS 9 0.897 -6.763 -5.793 91 HB2 CYS 9 HB2 CYS 9 -0.269 -5.292 -4.275 92 HB3 CYS 9 HB3 CYS 9 -0.184 -3.967 -5.432 93 HG CYS 9 HG CYS 9 -1.971 -6.851 -5.857 94 H SER 10 H SER 10 1.438 -7.344 -7.814 95 HA SER 10 HA SER 10 0.940 -5.506 -9.987 96 HB2 SER 10 HB2 SER 10 3.518 -6.840 -9.379 97 HB3 SER 10 HB3 SER 10 3.063 -6.597 -11.066 98 HG SER 10 HG SER 10 3.148 -4.470 -10.812 99 H ASN 11 H ASN 11 -0.035 -6.452 -11.861 100 HA ASN 11 HA ASN 11 0.992 -9.096 -12.507 101 HB2 ASN 11 HB2 ASN 11 -0.946 -7.991 -13.779 102 HB3 ASN 11 HB3 ASN 11 0.232 -6.849 -14.420 103 HD21 ASN 11 HD21 ASN 11 -0.923 -10.110 -14.473 104 HD22 ASN 11 HD22 ASN 11 -0.044 -10.623 -15.874 105 H GLY 12 H GLY 12 3.161 -9.071 -14.044 106 HA2 GLY 12 HA3 GLY 12 4.722 -8.337 -11.841 107 HA3 GLY 12 HA2 GLY 12 5.374 -8.873 -13.377 108 H GLY 13 H GLY 13 5.590 -6.516 -11.161 109 HA2 GLY 13 HA3 GLY 13 5.848 -4.293 -12.995 110 HA3 GLY 13 HA2 GLY 13 4.740 -4.212 -11.635 111 H HIS 14 H HIS 14 5.702 -2.661 -10.607 112 HA HIS 14 HA HIS 14 8.582 -2.608 -10.115 113 HB2 HIS 14 HB2 HIS 14 6.719 -0.301 -10.764 114 HB3 HIS 14 HB3 HIS 14 8.427 -0.154 -10.386 115 HD1 HIS 14 HD1 HIS 14 6.105 -0.570 -13.178 116 HD2 HIS 14 HD2 HIS 14 10.138 -1.243 -12.436 117 HE1 HIS 14 HE1 HIS 14 7.179 -0.781 -15.440 118 HE2 HIS 14 HE2 HIS 14 9.609 -1.268 -14.978 119 H PHE 15 H PHE 15 8.988 -1.085 -8.160 120 HA PHE 15 HA PHE 15 7.154 -1.999 -6.107 121 HB2 PHE 15 HB2 PHE 15 9.868 -0.720 -5.728 122 HB3 PHE 15 HB3 PHE 15 8.967 -1.697 -4.574 123 HD1 PHE 15 HD2 PHE 15 8.356 -4.135 -5.565 124 HD2 PHE 15 HD1 PHE 15 11.653 -1.720 -6.736 125 HE1 PHE 15 HE2 PHE 15 9.541 -6.142 -6.345 126 HE2 PHE 15 HE1 PHE 15 12.841 -3.723 -7.532 127 HZ PHE 15 HZ PHE 15 11.786 -5.939 -7.332 128 H LEU 16 H LEU 16 6.132 -0.557 -4.695 129 HA LEU 16 HA LEU 16 5.680 2.024 -5.893 130 HB2 LEU 16 HB2 LEU 16 4.043 0.309 -4.701 131 HB3 LEU 16 HB3 LEU 16 4.517 1.198 -3.268 132 HG LEU 16 HG LEU 16 3.803 3.293 -4.646 133 HD11 LEU 16 HD11 LEU 16 2.301 1.091 -6.051 134 HD12 LEU 16 HD12 LEU 16 1.975 2.817 -6.208 135 HD13 LEU 16 HD13 LEU 16 3.511 2.156 -6.767 136 HD21 LEU 16 HD21 LEU 16 2.702 2.514 -2.609 137 HD22 LEU 16 HD22 LEU 16 1.522 3.062 -3.801 138 HD23 LEU 16 HD23 LEU 16 1.783 1.336 -3.549 139 H ARG 17 H ARG 17 6.686 3.783 -5.372 140 HA ARG 17 HA ARG 17 8.197 3.942 -2.841 141 HB2 ARG 17 HB2 ARG 17 10.205 4.174 -3.882 142 HB3 ARG 17 HB3 ARG 17 9.413 3.221 -5.127 143 HG2 ARG 17 HG2 ARG 17 8.913 5.256 -6.374 144 HG3 ARG 17 HG3 ARG 17 9.709 6.217 -5.121 145 HD2 ARG 17 HD2 ARG 17 11.748 4.719 -5.545 146 HD3 ARG 17 HD3 ARG 17 10.924 4.234 -7.024 147 HE ARG 17 HE ARG 17 10.903 6.940 -7.152 148 HH11 ARG 17 HH12 ARG 17 13.436 4.565 -6.648 149 HH12 ARG 17 HH11 ARG 17 14.682 5.550 -7.356 150 HH21 ARG 17 HH22 ARG 17 12.539 8.246 -8.086 151 HH22 ARG 17 HH21 ARG 17 14.167 7.637 -8.178 152 H ILE 18 H ILE 18 8.608 6.236 -2.226 153 HA ILE 18 HA ILE 18 6.395 7.803 -3.241 154 HB ILE 18 HB ILE 18 6.555 9.149 -1.359 155 HG12 ILE 18 HG12 ILE 18 9.259 8.064 -0.607 156 HG13 ILE 18 HG13 ILE 18 9.091 9.462 -1.663 157 HG21 ILE 18 HG21 ILE 18 5.812 6.917 -0.787 158 HG22 ILE 18 HG22 ILE 18 7.479 6.415 -0.503 159 HG23 ILE 18 HG23 ILE 18 6.729 7.609 0.553 160 HD11 ILE 18 HD11 ILE 18 8.056 9.243 1.154 161 HD12 ILE 18 HD12 ILE 18 9.492 10.127 0.634 162 HD13 ILE 18 HD13 ILE 18 7.895 10.646 0.097 163 H LEU 19 H LEU 19 6.544 9.528 -4.401 164 HA LEU 19 HA LEU 19 9.173 10.778 -4.812 165 HB2 LEU 19 HB2 LEU 19 6.722 10.739 -6.589 166 HB3 LEU 19 HB3 LEU 19 8.093 11.792 -6.862 167 HG LEU 19 HG LEU 19 9.518 9.702 -7.060 168 HD11 LEU 19 HD11 LEU 19 8.015 8.121 -5.993 169 HD12 LEU 19 HD12 LEU 19 6.817 8.379 -7.260 170 HD13 LEU 19 HD13 LEU 19 8.366 7.630 -7.649 171 HD21 LEU 19 HD21 LEU 19 7.311 10.143 -9.067 172 HD22 LEU 19 HD22 LEU 19 8.846 11.008 -8.991 173 HD23 LEU 19 HD23 LEU 19 8.824 9.288 -9.373 174 HA PRO 20 HA PRO 20 7.463 13.658 -2.027 175 HB2 PRO 20 HB2 PRO 20 9.521 15.533 -2.916 176 HB3 PRO 20 HB3 PRO 20 9.341 14.747 -1.343 177 HG2 PRO 20 HG2 PRO 20 11.323 14.067 -2.997 178 HG3 PRO 20 HG3 PRO 20 10.477 12.836 -2.037 179 HD2 PRO 20 HD2 PRO 20 10.079 13.580 -4.921 180 HD3 PRO 20 HD3 PRO 20 10.227 11.964 -4.190 181 H ASP 21 H ASP 21 6.881 13.928 -5.054 182 HA ASP 21 HA ASP 21 5.885 16.671 -5.092 183 HB2 ASP 21 HB2 ASP 21 6.773 15.891 -7.191 184 HB3 ASP 21 HB3 ASP 21 5.799 14.428 -7.123 185 H GLY 22 H GLY 22 4.918 13.478 -4.306 186 HA2 GLY 22 HA3 GLY 22 2.904 13.417 -2.852 187 HA3 GLY 22 HA2 GLY 22 2.108 14.370 -4.093 188 H THR 23 H THR 23 4.251 11.591 -4.628 189 HA THR 23 HA THR 23 1.954 10.085 -5.639 190 HB THR 23 HB THR 23 4.579 9.461 -6.722 191 HG1 THR 23 HG1 THR 23 3.438 11.845 -7.772 192 HG21 THR 23 HG21 THR 23 3.315 9.471 -8.842 193 HG22 THR 23 HG22 THR 23 1.919 10.134 -7.991 194 HG23 THR 23 HG23 THR 23 2.509 8.520 -7.596 195 H VAL 24 H VAL 24 1.886 7.933 -4.910 196 HA VAL 24 HA VAL 24 4.568 6.855 -4.379 197 HB VAL 24 HB VAL 24 3.140 6.908 -2.315 198 HG11 VAL 24 HG11 VAL 24 1.541 4.906 -3.864 199 HG12 VAL 24 HG12 VAL 24 1.405 5.147 -2.117 200 HG13 VAL 24 HG13 VAL 24 0.988 6.454 -3.227 201 HG21 VAL 24 HG21 VAL 24 5.028 5.415 -2.480 202 HG22 VAL 24 HG22 VAL 24 3.706 4.613 -1.633 203 HG23 VAL 24 HG23 VAL 24 4.043 4.215 -3.316 204 H ASP 25 H ASP 25 5.098 5.894 -6.128 205 HA ASP 25 HA ASP 25 3.213 4.122 -7.493 206 HB2 ASP 25 HB2 ASP 25 3.846 4.967 -9.679 207 HB3 ASP 25 HB3 ASP 25 3.238 6.289 -8.694 208 H GLY 26 H GLY 26 4.126 2.495 -8.851 209 HA2 GLY 26 HA3 GLY 26 6.564 1.526 -7.736 210 HA3 GLY 26 HA2 GLY 26 5.592 0.744 -8.966 211 H THR 27 H THR 27 8.408 1.500 -8.450 212 HA THR 27 HA THR 27 9.199 1.865 -11.209 213 HB THR 27 HB THR 27 10.217 3.469 -8.848 214 HG1 THR 27 HG1 THR 27 8.423 4.361 -10.035 215 HG21 THR 27 HG21 THR 27 12.103 2.603 -10.108 216 HG22 THR 27 HG22 THR 27 11.958 4.351 -10.315 217 HG23 THR 27 HG23 THR 27 11.426 3.263 -11.599 218 H ARG 28 H ARG 28 11.240 0.401 -11.452 219 HA ARG 28 HA ARG 28 11.214 -1.180 -8.998 220 HB2 ARG 28 HB2 ARG 28 12.136 -1.672 -11.757 221 HB3 ARG 28 HB3 ARG 28 13.067 -2.451 -10.484 222 HG2 ARG 28 HG2 ARG 28 10.944 -3.423 -9.633 223 HG3 ARG 28 HG3 ARG 28 10.129 -2.745 -11.046 224 HD2 ARG 28 HD2 ARG 28 11.632 -4.017 -12.505 225 HD3 ARG 28 HD3 ARG 28 12.412 -4.712 -11.087 226 HE ARG 28 HE ARG 28 9.536 -5.128 -11.506 227 HH11 ARG 28 HH12 ARG 28 12.777 -6.388 -11.174 228 HH12 ARG 28 HH11 ARG 28 12.280 -8.053 -11.243 229 HH21 ARG 28 HH22 ARG 28 8.871 -7.317 -11.582 230 HH22 ARG 28 HH21 ARG 28 10.053 -8.583 -11.480 231 H ASP 29 H ASP 29 12.156 -0.203 -7.542 232 HA ASP 29 HA ASP 29 15.057 -0.111 -7.555 233 HB2 ASP 29 HB2 ASP 29 14.645 2.191 -7.952 234 HB3 ASP 29 HB3 ASP 29 13.233 2.202 -6.902 235 H ARG 30 H ARG 30 15.445 -1.632 -5.925 236 HA ARG 30 HA ARG 30 14.174 -0.889 -3.389 237 HB2 ARG 30 HB2 ARG 30 13.904 -3.100 -2.631 238 HB3 ARG 30 HB3 ARG 30 13.251 -3.079 -4.257 239 HG2 ARG 30 HG2 ARG 30 16.046 -4.005 -3.709 240 HG3 ARG 30 HG3 ARG 30 14.661 -5.081 -3.539 241 HD2 ARG 30 HD2 ARG 30 14.075 -4.306 -5.939 242 HD3 ARG 30 HD3 ARG 30 15.758 -3.779 -6.001 243 HE ARG 30 HE ARG 30 15.000 -6.561 -5.355 244 HH11 ARG 30 HH12 ARG 30 16.901 -4.254 -7.208 245 HH12 ARG 30 HH11 ARG 30 17.895 -5.474 -7.929 246 HH21 ARG 30 HH22 ARG 30 16.303 -8.156 -6.316 247 HH22 ARG 30 HH21 ARG 30 17.552 -7.691 -7.435 248 H SER 31 H SER 31 16.630 -0.320 -4.878 249 HA SER 31 HA SER 31 18.658 -1.340 -3.032 250 HB2 SER 31 HB2 SER 31 19.084 0.167 -5.617 251 HB3 SER 31 HB3 SER 31 20.259 -0.800 -4.723 252 HG SER 31 HG SER 31 19.469 -2.576 -5.572 253 H ASP 32 H ASP 32 16.631 1.260 -3.486 254 HA ASP 32 HA ASP 32 18.481 3.009 -2.008 255 HB2 ASP 32 HB2 ASP 32 17.577 3.700 -4.391 256 HB3 ASP 32 HB3 ASP 32 16.121 4.106 -3.489 257 H GLN 33 H GLN 33 16.715 4.796 -1.041 258 HA GLN 33 HA GLN 33 15.379 3.057 0.906 259 HB2 GLN 33 HB2 GLN 33 15.730 4.838 2.499 260 HB3 GLN 33 HB3 GLN 33 17.236 4.469 1.663 261 HG2 GLN 33 HG2 GLN 33 17.021 6.421 0.286 262 HG3 GLN 33 HG3 GLN 33 15.423 6.762 0.945 263 HE21 GLN 33 HE21 GLN 33 18.834 6.896 1.485 264 HE22 GLN 33 HE22 GLN 33 18.780 7.868 2.913 265 H HIS 34 H HIS 34 13.924 3.659 -1.477 266 HA HIS 34 HA HIS 34 12.172 5.887 -0.730 267 HB2 HIS 34 HB2 HIS 34 12.426 4.406 -3.356 268 HB3 HIS 34 HB3 HIS 34 11.383 5.791 -3.061 269 HD1 HIS 34 HD1 HIS 34 14.497 5.006 -4.539 270 HD2 HIS 34 HD2 HIS 34 13.134 8.102 -2.108 271 HE1 HIS 34 HE1 HIS 34 16.078 6.929 -4.919 272 HE2 HIS 34 HE2 HIS 34 15.352 8.706 -3.282 273 H ILE 35 H ILE 35 12.237 2.448 -0.970 274 HA ILE 35 HA ILE 35 9.382 2.302 -1.577 275 HB ILE 35 HB ILE 35 9.802 -0.139 -1.888 276 HG12 ILE 35 HG12 ILE 35 12.359 -0.602 -2.288 277 HG13 ILE 35 HG13 ILE 35 12.587 0.703 -1.133 278 HG21 ILE 35 HG21 ILE 35 9.864 1.531 -3.716 279 HG22 ILE 35 HG22 ILE 35 11.613 1.651 -3.498 280 HG23 ILE 35 HG23 ILE 35 10.889 0.127 -4.016 281 HD11 ILE 35 HD11 ILE 35 11.291 -0.549 0.519 282 HD12 ILE 35 HD12 ILE 35 11.090 -1.859 -0.643 283 HD13 ILE 35 HD13 ILE 35 12.698 -1.451 -0.044 284 H GLN 36 H GLN 36 10.444 3.020 1.201 285 HA GLN 36 HA GLN 36 9.878 0.496 2.601 286 HB2 GLN 36 HB2 GLN 36 11.258 1.576 4.431 287 HB3 GLN 36 HB3 GLN 36 12.106 1.112 2.961 288 HG2 GLN 36 HG2 GLN 36 12.011 3.422 2.175 289 HG3 GLN 36 HG3 GLN 36 11.164 3.893 3.657 290 HE21 GLN 36 HE21 GLN 36 14.137 2.656 2.316 291 HE22 GLN 36 HE22 GLN 36 15.162 3.133 3.642 292 H LEU 37 H LEU 37 7.752 0.629 3.033 293 HA LEU 37 HA LEU 37 6.942 2.770 4.878 294 HB2 LEU 37 HB2 LEU 37 4.595 1.630 4.275 295 HB3 LEU 37 HB3 LEU 37 5.271 2.992 3.412 296 HG LEU 37 HG LEU 37 5.844 0.208 2.449 297 HD11 LEU 37 HD11 LEU 37 3.426 0.270 2.765 298 HD12 LEU 37 HD12 LEU 37 3.337 1.769 1.843 299 HD13 LEU 37 HD13 LEU 37 3.844 0.274 1.053 300 HD21 LEU 37 HD21 LEU 37 5.924 1.313 0.276 301 HD22 LEU 37 HD22 LEU 37 5.468 2.843 1.026 302 HD23 LEU 37 HD23 LEU 37 7.017 2.094 1.419 303 H GLN 38 H GLN 38 6.323 2.211 6.879 304 HA GLN 38 HA GLN 38 7.048 -0.524 7.543 305 HB2 GLN 38 HB2 GLN 38 7.250 0.241 9.836 306 HB3 GLN 38 HB3 GLN 38 8.105 1.345 8.756 307 HG2 GLN 38 HG2 GLN 38 6.500 3.018 9.007 308 HG3 GLN 38 HG3 GLN 38 5.326 1.911 9.721 309 HE21 GLN 38 HE21 GLN 38 5.535 1.316 11.866 310 HE22 GLN 38 HE22 GLN 38 6.572 2.158 12.969 311 H LEU 39 H LEU 39 5.529 -1.977 7.509 312 HA LEU 39 HA LEU 39 2.756 -1.137 7.712 313 HB2 LEU 39 HB2 LEU 39 3.546 -2.637 5.864 314 HB3 LEU 39 HB3 LEU 39 3.892 -3.863 7.070 315 HG LEU 39 HG LEU 39 1.499 -3.915 7.694 316 HD11 LEU 39 HD11 LEU 39 1.134 -2.080 5.332 317 HD12 LEU 39 HD12 LEU 39 -0.147 -2.812 6.297 318 HD13 LEU 39 HD13 LEU 39 0.937 -1.623 7.024 319 HD21 LEU 39 HD21 LEU 39 2.393 -5.506 6.075 320 HD22 LEU 39 HD22 LEU 39 0.723 -5.078 5.700 321 HD23 LEU 39 HD23 LEU 39 2.044 -4.375 4.767 322 H SER 40 H SER 40 2.160 -0.912 9.771 323 HA SER 40 HA SER 40 2.771 -3.107 11.630 324 HB2 SER 40 HB2 SER 40 1.833 -0.295 12.257 325 HB3 SER 40 HB3 SER 40 2.375 -1.511 13.415 326 HG SER 40 HG SER 40 4.432 -1.454 12.273 327 H ALA 41 H ALA 41 1.051 -3.602 13.213 328 HA ALA 41 HA ALA 41 -1.653 -3.100 12.163 329 HB1 ALA 41 HB1 ALA 41 -0.718 -5.331 13.983 330 HB2 ALA 41 HB2 ALA 41 -2.387 -5.025 13.517 331 HB3 ALA 41 HB3 ALA 41 -1.198 -5.490 12.295 332 H GLU 42 H GLU 42 -2.350 -1.360 13.160 333 HA GLU 42 HA GLU 42 -0.921 -0.505 15.546 334 HB2 GLU 42 HB2 GLU 42 -0.930 0.777 13.406 335 HB3 GLU 42 HB3 GLU 42 -2.655 1.044 13.615 336 HG2 GLU 42 HG2 GLU 42 -1.554 3.015 14.331 337 HG3 GLU 42 HG3 GLU 42 -2.138 2.182 15.775 338 H SER 43 H SER 43 -4.264 -0.537 14.278 339 HA SER 43 HA SER 43 -5.093 -0.795 17.096 340 HB2 SER 43 HB2 SER 43 -6.889 0.175 14.889 341 HB3 SER 43 HB3 SER 43 -7.166 0.266 16.623 342 HG SER 43 HG SER 43 -5.934 2.044 15.033 343 H VAL 44 H VAL 44 -6.964 -2.305 17.403 344 HA VAL 44 HA VAL 44 -6.269 -4.726 16.152 345 HB VAL 44 HB VAL 44 -7.333 -4.691 18.343 346 HG11 VAL 44 HG11 VAL 44 -9.743 -4.331 18.580 347 HG12 VAL 44 HG12 VAL 44 -8.903 -2.878 18.043 348 HG13 VAL 44 HG13 VAL 44 -9.828 -3.840 16.889 349 HG21 VAL 44 HG21 VAL 44 -8.938 -6.195 16.288 350 HG22 VAL 44 HG22 VAL 44 -7.421 -6.720 17.019 351 HG23 VAL 44 HG23 VAL 44 -8.867 -6.558 18.014 352 H GLY 45 H GLY 45 -6.567 -5.297 14.160 353 HA2 GLY 45 HA3 GLY 45 -8.071 -6.098 12.483 354 HA3 GLY 45 HA2 GLY 45 -9.201 -4.833 12.941 355 H GLU 46 H GLU 46 -7.201 -2.715 12.996 356 HA GLU 46 HA GLU 46 -7.065 -2.343 10.123 357 HB2 GLU 46 HB2 GLU 46 -6.683 0.021 10.607 358 HB3 GLU 46 HB3 GLU 46 -8.175 -0.575 11.300 359 HG2 GLU 46 HG2 GLU 46 -7.125 -0.714 13.471 360 HG3 GLU 46 HG3 GLU 46 -5.597 -0.167 12.784 361 H VAL 47 H VAL 47 -5.316 -1.953 8.962 362 HA VAL 47 HA VAL 47 -2.738 -2.264 10.328 363 HB VAL 47 HB VAL 47 -1.818 -2.832 8.058 364 HG11 VAL 47 HG11 VAL 47 -2.582 -5.164 8.144 365 HG12 VAL 47 HG12 VAL 47 -2.198 -4.534 9.745 366 HG13 VAL 47 HG13 VAL 47 -3.879 -4.690 9.240 367 HG21 VAL 47 HG21 VAL 47 -3.623 -1.956 6.680 368 HG22 VAL 47 HG22 VAL 47 -3.401 -3.678 6.373 369 HG23 VAL 47 HG23 VAL 47 -4.746 -3.126 7.373 370 H TYR 48 H TYR 48 -1.073 -0.875 9.806 371 HA TYR 48 HA TYR 48 -2.091 1.668 8.717 372 HB2 TYR 48 HB2 TYR 48 -1.590 1.339 11.293 373 HB3 TYR 48 HB3 TYR 48 0.078 1.560 10.786 374 HD1 TYR 48 HD2 TYR 48 -3.241 3.163 10.956 375 HD2 TYR 48 HD1 TYR 48 0.916 3.741 10.244 376 HE1 TYR 48 HE2 TYR 48 -3.566 5.596 11.077 377 HE2 TYR 48 HE1 TYR 48 0.600 6.179 10.366 378 HH TYR 48 HH TYR 48 -1.142 7.837 10.135 379 H ILE 49 H ILE 49 -1.059 2.317 7.007 380 HA ILE 49 HA ILE 49 1.603 1.287 6.420 381 HB ILE 49 HB ILE 49 -0.382 2.774 4.695 382 HG12 ILE 49 HG12 ILE 49 0.727 -0.040 4.695 383 HG13 ILE 49 HG13 ILE 49 -0.945 0.454 4.928 384 HG21 ILE 49 HG21 ILE 49 2.426 1.897 4.012 385 HG22 ILE 49 HG22 ILE 49 1.245 2.532 2.867 386 HG23 ILE 49 HG23 ILE 49 1.857 3.560 4.162 387 HD11 ILE 49 HD11 ILE 49 -0.641 -0.501 2.737 388 HD12 ILE 49 HD12 ILE 49 -1.024 1.214 2.600 389 HD13 ILE 49 HD13 ILE 49 0.636 0.661 2.378 390 H LYS 50 H LYS 50 3.163 2.390 7.203 391 HA LYS 50 HA LYS 50 2.746 5.264 7.705 392 HB2 LYS 50 HB2 LYS 50 2.716 3.561 9.644 393 HB3 LYS 50 HB3 LYS 50 4.440 3.397 9.364 394 HG2 LYS 50 HG2 LYS 50 4.839 5.655 9.975 395 HG3 LYS 50 HG3 LYS 50 3.109 6.019 9.983 396 HD2 LYS 50 HD2 LYS 50 2.833 4.348 11.812 397 HD3 LYS 50 HD3 LYS 50 4.588 4.176 11.858 398 HE2 LYS 50 HE2 LYS 50 4.855 6.471 12.500 399 HE3 LYS 50 HE3 LYS 50 3.134 6.783 12.267 400 HZ1 LYS 50 HZ1 LYS 50 4.345 5.011 14.330 401 HZ2 LYS 50 HZ2 LYS 50 2.678 5.193 14.066 402 HZ3 LYS 50 HZ3 LYS 50 3.595 6.512 14.591 403 H SER 51 H SER 51 4.512 6.627 7.466 404 HA SER 51 HA SER 51 6.539 5.810 5.633 405 HB2 SER 51 HB2 SER 51 5.381 8.061 5.626 406 HB3 SER 51 HB3 SER 51 6.178 8.413 7.157 407 HG SER 51 HG SER 51 7.445 9.292 5.593 408 H THR 52 H THR 52 8.371 4.942 6.198 409 HA THR 52 HA THR 52 9.346 5.127 8.891 410 HB THR 52 HB THR 52 11.000 4.283 6.516 411 HG1 THR 52 HG1 THR 52 9.422 2.909 6.104 412 HG21 THR 52 HG21 THR 52 10.811 3.304 9.363 413 HG22 THR 52 HG22 THR 52 12.066 4.359 8.716 414 HG23 THR 52 HG23 THR 52 11.927 2.697 8.140 415 H GLU 53 H GLU 53 11.726 5.672 6.461 416 HA GLU 53 HA GLU 53 11.910 8.470 7.326 417 HB2 GLU 53 HB2 GLU 53 13.974 7.020 7.121 418 HB3 GLU 53 HB3 GLU 53 13.713 7.017 5.382 419 HG2 GLU 53 HG2 GLU 53 15.377 8.656 5.955 420 HG3 GLU 53 HG3 GLU 53 13.924 9.464 5.365 421 H THR 54 H THR 54 11.578 6.530 4.445 422 HA THR 54 HA THR 54 10.532 8.807 2.917 423 HB THR 54 HB THR 54 11.585 6.331 1.626 424 HG1 THR 54 HG1 THR 54 13.585 6.795 2.174 425 HG21 THR 54 HG21 THR 54 11.678 9.258 0.874 426 HG22 THR 54 HG22 THR 54 10.550 8.066 0.229 427 HG23 THR 54 HG23 THR 54 12.274 7.920 -0.109 428 H GLY 55 H GLY 55 8.678 7.106 4.634 429 HA2 GLY 55 HA3 GLY 55 8.225 4.848 2.841 430 HA3 GLY 55 HA2 GLY 55 7.785 4.907 4.523 431 H GLN 56 H GLN 56 6.163 7.475 4.125 432 HA GLN 56 HA GLN 56 4.815 7.783 1.817 433 HB2 GLN 56 HB2 GLN 56 3.889 5.301 2.963 434 HB3 GLN 56 HB3 GLN 56 2.568 6.456 2.812 435 HG2 GLN 56 HG2 GLN 56 4.405 5.514 0.627 436 HG3 GLN 56 HG3 GLN 56 2.689 5.140 0.817 437 HE21 GLN 56 HE21 GLN 56 1.175 6.698 0.323 438 HE22 GLN 56 HE22 GLN 56 1.572 8.151 -0.516 439 H TYR 57 H TYR 57 3.610 9.528 1.900 440 HA TYR 57 HA TYR 57 2.087 10.072 4.351 441 HB2 TYR 57 HB2 TYR 57 2.943 12.141 3.875 442 HB3 TYR 57 HB3 TYR 57 3.110 11.833 2.175 443 HD1 TYR 57 HD1 TYR 57 0.610 12.660 4.802 444 HD2 TYR 57 HD2 TYR 57 1.579 12.863 0.662 445 HE1 TYR 57 HE1 TYR 57 -1.329 14.122 4.426 446 HE2 TYR 57 HE2 TYR 57 -0.353 14.332 0.278 447 HH TYR 57 HH TYR 57 -2.552 14.812 1.370 448 H LEU 58 H LEU 58 1.067 8.008 3.674 449 HA LEU 58 HA LEU 58 -0.186 8.014 1.124 450 HB2 LEU 58 HB2 LEU 58 0.574 6.030 2.881 451 HB3 LEU 58 HB3 LEU 58 -1.182 5.963 2.930 452 HG LEU 58 HG LEU 58 0.378 5.987 0.360 453 HD11 LEU 58 HD11 LEU 58 0.037 3.558 0.264 454 HD12 LEU 58 HD12 LEU 58 1.037 4.014 1.644 455 HD13 LEU 58 HD13 LEU 58 -0.659 3.588 1.885 456 HD21 LEU 58 HD21 LEU 58 -2.461 5.182 1.012 457 HD22 LEU 58 HD22 LEU 58 -1.953 6.644 0.166 458 HD23 LEU 58 HD23 LEU 58 -1.698 5.065 -0.575 459 H ALA 59 H ALA 59 -2.041 8.555 0.553 460 HA ALA 59 HA ALA 59 -4.022 9.362 2.522 461 HB1 ALA 59 HB1 ALA 59 -2.942 11.200 0.378 462 HB2 ALA 59 HB2 ALA 59 -4.147 11.596 1.606 463 HB3 ALA 59 HB3 ALA 59 -2.473 11.275 2.075 464 H MET 60 H MET 60 -5.659 8.085 1.852 465 HA MET 60 HA MET 60 -6.158 7.758 -0.984 466 HB2 MET 60 HB2 MET 60 -7.640 6.906 1.509 467 HB3 MET 60 HB3 MET 60 -8.278 6.620 -0.110 468 HG2 MET 60 HG2 MET 60 -6.089 5.425 -0.584 469 HG3 MET 60 HG3 MET 60 -5.812 5.483 1.157 470 HE1 MET 60 HE1 MET 60 -9.377 3.312 -0.806 471 HE2 MET 60 HE2 MET 60 -9.244 5.068 -0.726 472 HE3 MET 60 HE3 MET 60 -8.117 4.144 -1.717 473 H ASP 61 H ASP 61 -7.431 9.060 -2.196 474 HA ASP 61 HA ASP 61 -8.594 11.319 -0.720 475 HB2 ASP 61 HB2 ASP 61 -6.670 11.663 -2.490 476 HB3 ASP 61 HB3 ASP 61 -8.012 11.482 -3.616 477 H THR 62 H THR 62 -10.588 11.350 -0.687 478 HA THR 62 HA THR 62 -12.780 10.971 -1.016 479 HB THR 62 HB THR 62 -11.999 10.162 -3.821 480 HG1 THR 62 HG1 THR 62 -11.473 12.411 -3.053 481 HG21 THR 62 HG21 THR 62 -14.628 11.060 -2.654 482 HG22 THR 62 HG22 THR 62 -14.220 9.415 -3.138 483 HG23 THR 62 HG23 THR 62 -14.334 10.689 -4.354 484 H ASP 63 H ASP 63 -11.149 8.657 -3.074 485 HA ASP 63 HA ASP 63 -10.461 6.652 -1.409 486 HB2 ASP 63 HB2 ASP 63 -13.080 6.857 -1.079 487 HB3 ASP 63 HB3 ASP 63 -13.094 5.735 -2.431 488 H GLY 64 H GLY 64 -10.564 7.930 -4.311 489 HA2 GLY 64 HA3 GLY 64 -10.806 5.446 -5.855 490 HA3 GLY 64 HA2 GLY 64 -11.072 7.059 -6.496 491 H LEU 65 H LEU 65 -8.803 8.353 -5.551 492 HA LEU 65 HA LEU 65 -6.677 6.775 -6.838 493 HB2 LEU 65 HB2 LEU 65 -6.814 9.784 -6.927 494 HB3 LEU 65 HB3 LEU 65 -5.668 8.736 -7.737 495 HG LEU 65 HG LEU 65 -7.072 9.465 -9.425 496 HD11 LEU 65 HD11 LEU 65 -8.329 7.513 -10.184 497 HD12 LEU 65 HD12 LEU 65 -6.732 7.083 -9.573 498 HD13 LEU 65 HD13 LEU 65 -8.165 6.793 -8.584 499 HD21 LEU 65 HD21 LEU 65 -9.443 8.892 -7.664 500 HD22 LEU 65 HD22 LEU 65 -8.808 10.482 -8.080 501 HD23 LEU 65 HD23 LEU 65 -9.519 9.461 -9.332 502 H LEU 66 H LEU 66 -4.728 6.676 -5.816 503 HA LEU 66 HA LEU 66 -4.822 7.804 -3.081 504 HB2 LEU 66 HB2 LEU 66 -3.235 5.372 -3.687 505 HB3 LEU 66 HB3 LEU 66 -4.146 5.791 -2.242 506 HG LEU 66 HG LEU 66 -5.453 5.083 -4.849 507 HD11 LEU 66 HD11 LEU 66 -4.639 3.304 -2.586 508 HD12 LEU 66 HD12 LEU 66 -5.938 2.886 -3.708 509 HD13 LEU 66 HD13 LEU 66 -4.298 3.130 -4.316 510 HD21 LEU 66 HD21 LEU 66 -6.527 5.136 -2.042 511 HD22 LEU 66 HD22 LEU 66 -6.828 6.349 -3.289 512 HD23 LEU 66 HD23 LEU 66 -7.424 4.702 -3.500 513 H TYR 67 H TYR 67 -3.368 9.297 -2.678 514 HA TYR 67 HA TYR 67 -0.720 9.006 -3.971 515 HB2 TYR 67 HB2 TYR 67 -0.603 11.323 -4.486 516 HB3 TYR 67 HB3 TYR 67 -2.188 10.791 -5.037 517 HD1 TYR 67 HD1 TYR 67 -4.176 11.210 -3.429 518 HD2 TYR 67 HD2 TYR 67 -0.413 13.165 -3.076 519 HE1 TYR 67 HE1 TYR 67 -5.225 12.977 -2.081 520 HE2 TYR 67 HE2 TYR 67 -1.454 14.935 -1.728 521 HH TYR 67 HH TYR 67 -4.502 14.657 -0.358 522 H GLY 68 H GLY 68 1.057 9.634 -2.701 523 HA2 GLY 68 HA3 GLY 68 0.681 11.137 -0.299 524 HA3 GLY 68 HA2 GLY 68 0.988 9.436 0.043 525 H SER 69 H SER 69 2.706 11.636 0.779 526 HA SER 69 HA SER 69 4.987 10.132 -0.204 527 HB2 SER 69 HB2 SER 69 5.074 13.128 -0.282 528 HB3 SER 69 HB3 SER 69 6.387 12.039 -0.729 529 HG SER 69 HG SER 69 4.418 11.198 -2.144 530 H GLN 70 H GLN 70 4.529 12.907 2.093 531 HA GLN 70 HA GLN 70 7.045 12.048 3.277 532 HB2 GLN 70 HB2 GLN 70 6.826 14.096 4.675 533 HB3 GLN 70 HB3 GLN 70 6.825 14.381 2.940 534 HG2 GLN 70 HG2 GLN 70 4.421 14.662 2.961 535 HG3 GLN 70 HG3 GLN 70 4.370 14.272 4.679 536 HE21 GLN 70 HE21 GLN 70 3.439 16.210 5.217 537 HE22 GLN 70 HE22 GLN 70 4.293 17.714 5.189 538 H THR 71 H THR 71 3.745 12.311 4.489 539 HA THR 71 HA THR 71 4.563 11.011 7.012 540 HB THR 71 HB THR 71 2.905 13.545 6.895 541 HG1 THR 71 HG1 THR 71 5.609 13.104 6.974 542 HG21 THR 71 HG21 THR 71 3.184 13.575 9.329 543 HG22 THR 71 HG22 THR 71 4.060 12.046 9.252 544 HG23 THR 71 HG23 THR 71 2.355 12.108 8.806 545 HA PRO 72 HA PRO 72 0.610 9.204 6.086 546 HB2 PRO 72 HB2 PRO 72 0.786 7.066 7.679 547 HB3 PRO 72 HB3 PRO 72 1.923 7.315 6.348 548 HG2 PRO 72 HG2 PRO 72 2.377 7.528 9.252 549 HG3 PRO 72 HG3 PRO 72 3.553 7.306 7.947 550 HD2 PRO 72 HD2 PRO 72 2.764 9.768 9.295 551 HD3 PRO 72 HD3 PRO 72 4.086 9.507 8.136 552 H ASN 73 H ASN 73 -1.248 10.158 6.712 553 HA ASN 73 HA ASN 73 -1.751 10.683 9.585 554 HB2 ASN 73 HB2 ASN 73 -1.839 12.583 7.802 555 HB3 ASN 73 HB3 ASN 73 -3.297 11.793 7.217 556 HD21 ASN 73 HD21 ASN 73 -2.914 14.443 8.368 557 HD22 ASN 73 HD22 ASN 73 -3.972 14.534 9.733 558 H GLU 74 H GLU 74 -4.511 10.289 9.849 559 HA GLU 74 HA GLU 74 -4.542 7.788 8.311 560 HB2 GLU 74 HB2 GLU 74 -6.501 7.213 9.831 561 HB3 GLU 74 HB3 GLU 74 -4.918 7.305 10.586 562 HG2 GLU 74 HG2 GLU 74 -5.488 9.629 11.306 563 HG3 GLU 74 HG3 GLU 74 -7.123 9.344 10.711 564 H GLU 75 H GLU 75 -4.922 8.945 6.523 565 HA GLU 75 HA GLU 75 -7.609 8.031 5.923 566 HB2 GLU 75 HB2 GLU 75 -5.704 9.773 4.366 567 HB3 GLU 75 HB3 GLU 75 -7.220 9.143 3.711 568 HG2 GLU 75 HG2 GLU 75 -8.356 10.382 5.639 569 HG3 GLU 75 HG3 GLU 75 -6.820 11.218 5.846 570 H CYS 76 H CYS 76 -4.218 7.786 6.113 571 HA CYS 76 HA CYS 76 -3.619 6.073 3.999 572 HB2 CYS 76 HB2 CYS 76 -1.528 5.754 5.003 573 HB3 CYS 76 HB3 CYS 76 -2.012 7.379 5.468 574 HG CYS 76 HG CYS 76 -0.741 5.371 7.422 575 H LEU 77 H LEU 77 -5.353 5.451 6.897 576 HA LEU 77 HA LEU 77 -4.253 2.851 7.347 577 HB2 LEU 77 HB2 LEU 77 -6.186 2.724 9.072 578 HB3 LEU 77 HB3 LEU 77 -4.774 3.703 9.384 579 HG LEU 77 HG LEU 77 -6.026 5.730 8.837 580 HD11 LEU 77 HD11 LEU 77 -7.576 4.814 7.179 581 HD12 LEU 77 HD12 LEU 77 -8.402 3.916 8.453 582 HD13 LEU 77 HD13 LEU 77 -8.427 5.680 8.458 583 HD21 LEU 77 HD21 LEU 77 -7.576 5.673 10.743 584 HD22 LEU 77 HD22 LEU 77 -7.413 3.917 10.802 585 HD23 LEU 77 HD23 LEU 77 -6.016 4.942 11.125 586 H PHE 78 H PHE 78 -5.086 0.933 6.970 587 HA PHE 78 HA PHE 78 -7.532 0.896 5.394 588 HB2 PHE 78 HB2 PHE 78 -5.079 -0.842 5.028 589 HB3 PHE 78 HB3 PHE 78 -6.517 -0.852 4.031 590 HD1 PHE 78 HD2 PHE 78 -6.950 2.097 3.758 591 HD2 PHE 78 HD1 PHE 78 -3.415 -0.261 3.486 592 HE1 PHE 78 HE2 PHE 78 -5.931 3.795 2.303 593 HE2 PHE 78 HE1 PHE 78 -2.395 1.439 2.026 594 HZ PHE 78 HZ PHE 78 -3.655 3.470 1.433 595 H LEU 79 H LEU 79 -8.749 -1.106 5.558 596 HA LEU 79 HA LEU 79 -8.353 -2.471 8.114 597 HB2 LEU 79 HB2 LEU 79 -10.619 -1.653 7.502 598 HB3 LEU 79 HB3 LEU 79 -10.611 -2.734 6.123 599 HG LEU 79 HG LEU 79 -10.421 -4.657 7.719 600 HD11 LEU 79 HD11 LEU 79 -9.490 -3.461 9.619 601 HD12 LEU 79 HD12 LEU 79 -10.973 -2.518 9.768 602 HD13 LEU 79 HD13 LEU 79 -11.002 -4.256 10.063 603 HD21 LEU 79 HD21 LEU 79 -12.771 -4.603 8.371 604 HD22 LEU 79 HD22 LEU 79 -12.829 -2.870 8.044 605 HD23 LEU 79 HD23 LEU 79 -12.556 -4.009 6.724 606 H GLU 80 H GLU 80 -7.875 -4.650 8.243 607 HA GLU 80 HA GLU 80 -6.449 -5.525 5.841 608 HB2 GLU 80 HB2 GLU 80 -5.233 -5.191 7.998 609 HB3 GLU 80 HB3 GLU 80 -6.159 -6.519 8.680 610 HG2 GLU 80 HG2 GLU 80 -4.729 -7.123 6.179 611 HG3 GLU 80 HG3 GLU 80 -3.716 -6.769 7.576 612 H ARG 81 H ARG 81 -7.017 -7.185 4.692 613 HA ARG 81 HA ARG 81 -8.778 -9.246 5.827 614 HB2 ARG 81 HB2 ARG 81 -10.086 -7.728 4.359 615 HB3 ARG 81 HB3 ARG 81 -8.964 -8.053 3.046 616 HG2 ARG 81 HG2 ARG 81 -11.004 -9.335 2.779 617 HG3 ARG 81 HG3 ARG 81 -9.625 -10.403 3.054 618 HD2 ARG 81 HD2 ARG 81 -11.599 -11.105 4.331 619 HD3 ARG 81 HD3 ARG 81 -10.255 -10.663 5.382 620 HE ARG 81 HE ARG 81 -12.088 -8.499 4.893 621 HH11 ARG 81 HH12 ARG 81 -11.435 -11.302 6.888 622 HH12 ARG 81 HH11 ARG 81 -12.376 -10.722 8.233 623 HH21 ARG 81 HH22 ARG 81 -13.314 -7.733 6.630 624 HH22 ARG 81 HH21 ARG 81 -13.453 -8.673 8.088 625 H LEU 82 H LEU 82 -8.043 -11.298 5.433 626 HA LEU 82 HA LEU 82 -5.502 -11.411 4.014 627 HB2 LEU 82 HB2 LEU 82 -6.799 -13.256 5.994 628 HB3 LEU 82 HB3 LEU 82 -5.380 -13.724 5.074 629 HG LEU 82 HG LEU 82 -5.556 -11.391 6.986 630 HD11 LEU 82 HD11 LEU 82 -5.518 -13.531 8.127 631 HD12 LEU 82 HD12 LEU 82 -4.113 -14.028 7.184 632 HD13 LEU 82 HD13 LEU 82 -3.979 -12.693 8.329 633 HD21 LEU 82 HD21 LEU 82 -4.065 -10.921 5.107 634 HD22 LEU 82 HD22 LEU 82 -3.159 -11.147 6.602 635 HD23 LEU 82 HD23 LEU 82 -3.212 -12.436 5.400 636 H GLU 83 H GLU 83 -5.264 -12.230 2.107 637 HA GLU 83 HA GLU 83 -7.326 -13.951 0.951 638 HB2 GLU 83 HB2 GLU 83 -5.816 -11.932 -0.141 639 HB3 GLU 83 HB3 GLU 83 -4.883 -13.346 -0.601 640 HG2 GLU 83 HG2 GLU 83 -7.810 -12.974 -1.177 641 HG3 GLU 83 HG3 GLU 83 -6.511 -12.605 -2.307 642 H GLU 84 H GLU 84 -6.815 -16.132 0.357 643 HA GLU 84 HA GLU 84 -4.820 -17.101 2.256 644 HB2 GLU 84 HB2 GLU 84 -7.071 -18.592 0.905 645 HB3 GLU 84 HB3 GLU 84 -5.993 -19.257 2.128 646 HG2 GLU 84 HG2 GLU 84 -6.807 -17.240 3.555 647 HG3 GLU 84 HG3 GLU 84 -8.151 -17.218 2.414 648 H ASN 85 H ASN 85 -4.732 -16.375 -0.889 649 HA ASN 85 HA ASN 85 -2.918 -18.576 -1.534 650 HB2 ASN 85 HB2 ASN 85 -4.541 -17.514 -3.251 651 HB3 ASN 85 HB3 ASN 85 -3.420 -16.157 -3.272 652 HD21 ASN 85 HD21 ASN 85 -1.355 -16.445 -4.157 653 HD22 ASN 85 HD22 ASN 85 -0.974 -17.790 -5.174 654 H HIS 86 H HIS 86 -2.311 -17.116 0.657 655 HA HIS 86 HA HIS 86 -0.741 -15.898 1.742 656 HB2 HIS 86 HB2 HIS 86 0.845 -16.828 -0.639 657 HB3 HIS 86 HB3 HIS 86 1.571 -15.900 0.669 658 HD1 HIS 86 HD1 HIS 86 1.637 -17.065 3.042 659 HD2 HIS 86 HD2 HIS 86 0.449 -19.500 -0.118 660 HE1 HIS 86 HE1 HIS 86 1.805 -19.422 3.900 661 HE2 HIS 86 HE2 HIS 86 1.246 -20.879 1.924 662 H TYR 87 H TYR 87 -2.517 -14.335 0.271 663 HA TYR 87 HA TYR 87 -0.780 -12.064 -0.439 664 HB2 TYR 87 HB2 TYR 87 -3.379 -12.937 -1.695 665 HB3 TYR 87 HB3 TYR 87 -2.785 -11.290 -1.846 666 HD1 TYR 87 HD1 TYR 87 0.015 -11.519 -2.364 667 HD2 TYR 87 HD2 TYR 87 -3.137 -14.045 -3.699 668 HE1 TYR 87 HE1 TYR 87 1.387 -12.207 -4.284 669 HE2 TYR 87 HE2 TYR 87 -1.773 -14.740 -5.622 670 HH TYR 87 HH TYR 87 0.147 -13.787 -6.960 671 H ASN 88 H ASN 88 -1.662 -9.955 0.063 672 HA ASN 88 HA ASN 88 -3.590 -10.062 2.294 673 HB2 ASN 88 HB2 ASN 88 -1.868 -7.702 1.549 674 HB3 ASN 88 HB3 ASN 88 -2.801 -7.922 3.014 675 HD21 ASN 88 HD21 ASN 88 -1.891 -10.740 3.267 676 HD22 ASN 88 HD22 ASN 88 -0.271 -10.629 3.858 677 H THR 89 H THR 89 -5.295 -8.623 2.321 678 HA THR 89 HA THR 89 -5.790 -7.139 -0.164 679 HB THR 89 HB THR 89 -8.016 -8.267 1.520 680 HG1 THR 89 HG1 THR 89 -6.320 -9.639 -0.097 681 HG21 THR 89 HG21 THR 89 -7.852 -7.363 -1.358 682 HG22 THR 89 HG22 THR 89 -8.592 -6.472 -0.026 683 HG23 THR 89 HG23 THR 89 -9.297 -7.996 -0.566 684 H TYR 90 H TYR 90 -6.764 -5.112 0.178 685 HA TYR 90 HA TYR 90 -6.837 -4.259 2.985 686 HB2 TYR 90 HB2 TYR 90 -5.712 -2.673 0.666 687 HB3 TYR 90 HB3 TYR 90 -5.926 -2.058 2.298 688 HD1 TYR 90 HD1 TYR 90 -4.882 -4.056 4.031 689 HD2 TYR 90 HD2 TYR 90 -3.457 -2.910 0.190 690 HE1 TYR 90 HE1 TYR 90 -2.638 -4.856 4.634 691 HE2 TYR 90 HE2 TYR 90 -1.205 -3.711 0.782 692 HH TYR 90 HH TYR 90 0.133 -4.138 2.798 693 H ILE 91 H ILE 91 -8.677 -3.304 3.557 694 HA ILE 91 HA ILE 91 -10.409 -2.299 1.409 695 HB ILE 91 HB ILE 91 -11.061 -3.786 3.699 696 HG12 ILE 91 HG12 ILE 91 -12.833 -2.076 1.953 697 HG13 ILE 91 HG13 ILE 91 -12.262 -3.693 1.545 698 HG21 ILE 91 HG21 ILE 91 -12.565 -2.332 4.971 699 HG22 ILE 91 HG22 ILE 91 -10.898 -1.766 5.077 700 HG23 ILE 91 HG23 ILE 91 -12.043 -0.945 4.015 701 HD11 ILE 91 HD11 ILE 91 -14.076 -2.984 3.842 702 HD12 ILE 91 HD12 ILE 91 -14.560 -3.740 2.323 703 HD13 ILE 91 HD13 ILE 91 -13.505 -4.605 3.439 704 H SER 92 H SER 92 -11.221 -0.165 1.599 705 HA SER 92 HA SER 92 -9.134 1.532 2.665 706 HB2 SER 92 HB2 SER 92 -10.472 3.301 1.379 707 HB3 SER 92 HB3 SER 92 -9.675 2.051 0.422 708 HG SER 92 HG SER 92 -11.930 2.541 -0.110 709 H LYS 93 H LYS 93 -9.375 2.109 4.674 710 HA LYS 93 HA LYS 93 -11.836 1.721 6.020 711 HB2 LYS 93 HB2 LYS 93 -9.211 1.796 6.732 712 HB3 LYS 93 HB3 LYS 93 -9.762 3.353 7.335 713 HG2 LYS 93 HG2 LYS 93 -11.539 2.188 8.589 714 HG3 LYS 93 HG3 LYS 93 -10.860 0.644 8.044 715 HD2 LYS 93 HD2 LYS 93 -8.771 1.126 9.149 716 HD3 LYS 93 HD3 LYS 93 -9.340 2.731 9.607 717 HE2 LYS 93 HE2 LYS 93 -10.565 0.131 10.514 718 HE3 LYS 93 HE3 LYS 93 -9.440 1.101 11.460 719 HZ1 LYS 93 HZ1 LYS 93 -12.205 1.777 10.650 720 HZ2 LYS 93 HZ2 LYS 93 -11.116 2.961 11.180 721 HZ3 LYS 93 HZ3 LYS 93 -11.555 1.690 12.214 722 H LYS 94 H LYS 94 -10.651 4.217 4.166 723 HA LYS 94 HA LYS 94 -11.985 6.473 5.179 724 HB2 LYS 94 HB2 LYS 94 -10.418 6.651 3.267 725 HB3 LYS 94 HB3 LYS 94 -11.489 5.654 2.293 726 HG2 LYS 94 HG2 LYS 94 -11.941 7.772 1.533 727 HG3 LYS 94 HG3 LYS 94 -13.209 7.549 2.740 728 HD2 LYS 94 HD2 LYS 94 -12.029 8.863 4.337 729 HD3 LYS 94 HD3 LYS 94 -10.576 8.884 3.337 730 HE2 LYS 94 HE2 LYS 94 -11.795 10.161 1.626 731 HE3 LYS 94 HE3 LYS 94 -13.219 10.171 2.666 732 HZ1 LYS 94 HZ1 LYS 94 -11.934 11.383 4.328 733 HZ2 LYS 94 HZ2 LYS 94 -12.000 12.232 2.866 734 HZ3 LYS 94 HZ3 LYS 94 -10.585 11.403 3.298 735 H HIS 95 H HIS 95 -13.095 4.637 2.339 736 HA HIS 95 HA HIS 95 -15.800 4.730 3.398 737 HB2 HIS 95 HB2 HIS 95 -14.724 3.950 0.703 738 HB3 HIS 95 HB3 HIS 95 -16.401 3.673 1.155 739 HD1 HIS 95 HD1 HIS 95 -13.949 6.430 0.491 740 HD2 HIS 95 HD2 HIS 95 -18.033 5.886 1.031 741 HE1 HIS 95 HE1 HIS 95 -15.011 8.626 -0.115 742 HE2 HIS 95 HE2 HIS 95 -17.472 8.321 0.351 743 H ALA 96 H ALA 96 -14.209 3.101 4.917 744 HA ALA 96 HA ALA 96 -14.028 0.431 4.205 745 HB1 ALA 96 HB1 ALA 96 -14.636 1.522 6.951 746 HB2 ALA 96 HB2 ALA 96 -14.017 -0.090 6.594 747 HB3 ALA 96 HB3 ALA 96 -13.032 1.330 6.240 748 H GLU 97 H GLU 97 -16.723 2.026 5.851 749 HA GLU 97 HA GLU 97 -18.334 -0.274 6.088 750 HB2 GLU 97 HB2 GLU 97 -18.523 1.823 7.440 751 HB3 GLU 97 HB3 GLU 97 -19.215 2.616 6.034 752 HG2 GLU 97 HG2 GLU 97 -21.113 1.140 6.079 753 HG3 GLU 97 HG3 GLU 97 -20.398 0.209 7.395 754 H LYS 98 H LYS 98 -17.704 1.814 3.420 755 HA LYS 98 HA LYS 98 -20.187 1.060 2.079 756 HB2 LYS 98 HB2 LYS 98 -18.070 3.105 1.530 757 HB3 LYS 98 HB3 LYS 98 -19.122 2.572 0.225 758 HG2 LYS 98 HG2 LYS 98 -20.022 4.576 1.189 759 HG3 LYS 98 HG3 LYS 98 -21.082 3.225 1.585 760 HD2 LYS 98 HD2 LYS 98 -19.735 3.105 3.784 761 HD3 LYS 98 HD3 LYS 98 -19.198 4.733 3.366 762 HE2 LYS 98 HE2 LYS 98 -22.067 3.848 3.650 763 HE3 LYS 98 HE3 LYS 98 -21.153 4.759 4.850 764 HZ1 LYS 98 HZ1 LYS 98 -21.657 5.727 2.091 765 HZ2 LYS 98 HZ2 LYS 98 -21.018 6.609 3.388 766 HZ3 LYS 98 HZ3 LYS 98 -22.639 6.112 3.413 767 H ASN 99 H ASN 99 -17.145 -0.174 2.454 768 HA ASN 99 HA ASN 99 -16.459 -2.225 1.756 769 HB2 ASN 99 HB2 ASN 99 -18.899 -2.671 1.260 770 HB3 ASN 99 HB3 ASN 99 -18.583 -2.166 -0.393 771 HD21 ASN 99 HD21 ASN 99 -17.655 -3.582 -1.792 772 HD22 ASN 99 HD22 ASN 99 -17.219 -5.203 -1.378 773 H TRP 100 H TRP 100 -15.778 0.526 0.476 774 HA TRP 100 HA TRP 100 -14.834 -0.127 -2.099 775 HB2 TRP 100 HB2 TRP 100 -14.361 2.065 -0.131 776 HB3 TRP 100 HB3 TRP 100 -13.285 1.900 -1.514 777 HD1 TRP 100 HD1 TRP 100 -17.166 1.668 -1.342 778 HE1 TRP 100 HE1 TRP 100 -18.106 3.334 -3.084 779 HE3 TRP 100 HE3 TRP 100 -12.799 3.525 -2.977 780 HZ2 TRP 100 HZ2 TRP 100 -17.033 5.231 -4.949 781 HZ3 TRP 100 HZ3 TRP 100 -12.766 5.266 -4.740 782 HH2 TRP 100 HH2 TRP 100 -14.843 6.106 -5.694 783 H PHE 101 H PHE 101 -12.605 -0.289 -2.682 784 HA PHE 101 HA PHE 101 -11.129 -1.854 -0.666 785 HB2 PHE 101 HB2 PHE 101 -11.308 -2.236 -3.655 786 HB3 PHE 101 HB3 PHE 101 -10.081 -3.016 -2.666 787 HD1 PHE 101 HD1 PHE 101 -13.722 -2.751 -3.239 788 HD2 PHE 101 HD2 PHE 101 -10.560 -4.981 -1.467 789 HE1 PHE 101 HE1 PHE 101 -15.291 -4.579 -2.747 790 HE2 PHE 101 HE2 PHE 101 -12.125 -6.814 -0.979 791 HZ PHE 101 HZ PHE 101 -14.464 -6.659 -1.707 792 H VAL 102 H VAL 102 -8.867 -1.582 -0.551 793 HA VAL 102 HA VAL 102 -7.872 0.872 -1.758 794 HB VAL 102 HB VAL 102 -6.369 -1.181 -0.116 795 HG11 VAL 102 HG11 VAL 102 -5.677 1.659 -0.864 796 HG12 VAL 102 HG12 VAL 102 -4.740 0.629 0.218 797 HG13 VAL 102 HG13 VAL 102 -4.907 0.198 -1.484 798 HG21 VAL 102 HG21 VAL 102 -8.200 -0.221 1.162 799 HG22 VAL 102 HG22 VAL 102 -6.644 0.356 1.757 800 HG23 VAL 102 HG23 VAL 102 -7.645 1.404 0.753 801 H GLY 103 H GLY 103 -7.139 0.814 -3.767 802 HA2 GLY 103 HA3 GLY 103 -5.869 -1.662 -4.685 803 HA3 GLY 103 HA2 GLY 103 -7.141 -0.929 -5.639 804 H LEU 104 H LEU 104 -4.565 -1.491 -6.439 805 HA LEU 104 HA LEU 104 -3.572 1.220 -6.935 806 HB2 LEU 104 HB2 LEU 104 -1.280 0.182 -6.917 807 HB3 LEU 104 HB3 LEU 104 -2.070 0.351 -5.362 808 HG LEU 104 HG LEU 104 -2.755 -2.094 -5.614 809 HD11 LEU 104 HD11 LEU 104 -0.591 -1.988 -7.706 810 HD12 LEU 104 HD12 LEU 104 -1.323 -3.452 -7.045 811 HD13 LEU 104 HD13 LEU 104 -2.298 -2.331 -7.996 812 HD21 LEU 104 HD21 LEU 104 -0.601 -2.850 -4.788 813 HD22 LEU 104 HD22 LEU 104 0.149 -1.365 -5.378 814 HD23 LEU 104 HD23 LEU 104 -1.051 -1.295 -4.088 815 H LYS 105 H LYS 105 -2.202 1.356 -8.926 816 HA LYS 105 HA LYS 105 -1.717 -1.414 -9.854 817 HB2 LYS 105 HB2 LYS 105 -3.029 0.071 -11.540 818 HB3 LYS 105 HB3 LYS 105 -1.514 0.939 -11.737 819 HG2 LYS 105 HG2 LYS 105 -1.294 -1.975 -12.009 820 HG3 LYS 105 HG3 LYS 105 -2.294 -1.188 -13.231 821 HD2 LYS 105 HD2 LYS 105 0.461 -0.202 -12.539 822 HD3 LYS 105 HD3 LYS 105 0.189 -1.459 -13.746 823 HE2 LYS 105 HE2 LYS 105 -1.119 1.256 -13.828 824 HE3 LYS 105 HE3 LYS 105 0.390 0.875 -14.656 825 HZ1 LYS 105 HZ1 LYS 105 -0.750 -0.777 -15.969 826 HZ2 LYS 105 HZ2 LYS 105 -1.566 0.701 -16.110 827 HZ3 LYS 105 HZ3 LYS 105 -2.198 -0.520 -15.126 828 H LYS 106 H LYS 106 0.120 -1.689 -8.651 829 HA LYS 106 HA LYS 106 1.872 0.474 -8.145 830 HB2 LYS 106 HB2 LYS 106 3.125 -0.915 -6.796 831 HB3 LYS 106 HB3 LYS 106 1.553 -1.713 -6.752 832 HG2 LYS 106 HG2 LYS 106 2.266 -3.497 -8.000 833 HG3 LYS 106 HG3 LYS 106 3.517 -2.562 -8.822 834 HD2 LYS 106 HD2 LYS 106 4.724 -2.452 -6.617 835 HD3 LYS 106 HD3 LYS 106 3.553 -3.616 -6.002 836 HE2 LYS 106 HE2 LYS 106 5.223 -4.147 -8.462 837 HE3 LYS 106 HE3 LYS 106 5.778 -4.541 -6.831 838 HZ1 LYS 106 HZ1 LYS 106 3.815 -5.943 -6.580 839 HZ2 LYS 106 HZ2 LYS 106 4.771 -6.434 -7.884 840 HZ3 LYS 106 HZ3 LYS 106 3.342 -5.572 -8.161 841 H ASN 107 H ASN 107 1.714 -1.910 -10.651 842 HA ASN 107 HA ASN 107 4.381 -1.583 -11.527 843 HB2 ASN 107 HB2 ASN 107 2.878 -3.428 -12.251 844 HB3 ASN 107 HB3 ASN 107 1.919 -2.255 -13.155 845 HD21 ASN 107 HD21 ASN 107 2.277 -3.161 -15.137 846 HD22 ASN 107 HD22 ASN 107 3.818 -3.146 -15.925 847 H GLY 108 H GLY 108 1.730 0.476 -11.500 848 HA2 GLY 108 HA3 GLY 108 3.227 2.444 -13.113 849 HA3 GLY 108 HA2 GLY 108 1.470 2.448 -12.996 850 H SER 109 H SER 109 0.536 2.746 -10.976 851 HA SER 109 HA SER 109 1.912 3.973 -8.772 852 HB2 SER 109 HB2 SER 109 1.750 5.881 -10.386 853 HB3 SER 109 HB3 SER 109 0.004 5.648 -10.447 854 HG SER 109 HG SER 109 1.597 6.529 -8.290 855 H CYS 110 H CYS 110 0.278 4.270 -6.930 856 HA CYS 110 HA CYS 110 -1.727 2.156 -7.323 857 HB2 CYS 110 HB2 CYS 110 -0.245 1.897 -5.447 858 HB3 CYS 110 HB3 CYS 110 -0.526 3.545 -4.915 859 HG CYS 110 HG CYS 110 -3.435 2.502 -4.672 860 H LYS 111 H LYS 111 -3.512 3.099 -8.246 861 HA LYS 111 HA LYS 111 -5.048 4.916 -6.616 862 HB2 LYS 111 HB2 LYS 111 -5.735 5.681 -9.197 863 HB3 LYS 111 HB3 LYS 111 -4.837 6.629 -8.026 864 HG2 LYS 111 HG2 LYS 111 -3.680 6.630 -10.140 865 HG3 LYS 111 HG3 LYS 111 -2.730 5.748 -8.949 866 HD2 LYS 111 HD2 LYS 111 -3.205 3.666 -9.931 867 HD3 LYS 111 HD3 LYS 111 -4.579 4.319 -10.842 868 HE2 LYS 111 HE2 LYS 111 -1.654 4.886 -11.299 869 HE3 LYS 111 HE3 LYS 111 -2.724 3.943 -12.333 870 HZ1 LYS 111 HZ1 LYS 111 -4.064 6.022 -12.601 871 HZ2 LYS 111 HZ2 LYS 111 -2.523 6.066 -13.304 872 HZ3 LYS 111 HZ3 LYS 111 -2.801 6.865 -11.838 873 H ARG 112 H ARG 112 -6.859 3.475 -6.155 874 HA ARG 112 HA ARG 112 -8.165 2.694 -8.639 875 HB2 ARG 112 HB2 ARG 112 -7.557 0.723 -6.471 876 HB3 ARG 112 HB3 ARG 112 -8.745 0.436 -7.738 877 HG2 ARG 112 HG2 ARG 112 -5.890 1.161 -8.300 878 HG3 ARG 112 HG3 ARG 112 -6.447 -0.518 -8.121 879 HD2 ARG 112 HD2 ARG 112 -8.126 -0.040 -9.938 880 HD3 ARG 112 HD3 ARG 112 -7.303 1.499 -10.192 881 HE ARG 112 HE ARG 112 -5.451 -0.638 -10.276 882 HH11 ARG 112 HH12 ARG 112 -7.906 0.995 -12.162 883 HH12 ARG 112 HH11 ARG 112 -7.332 0.387 -13.685 884 HH21 ARG 112 HH22 ARG 112 -4.666 -1.407 -12.289 885 HH22 ARG 112 HH21 ARG 112 -5.480 -0.963 -13.758 886 H GLY 113 H GLY 113 -9.816 4.360 -8.105 887 HA2 GLY 113 HA3 GLY 113 -11.700 3.430 -6.098 888 HA3 GLY 113 HA2 GLY 113 -11.934 4.780 -7.208 889 HA PRO 114 HA PRO 114 -14.581 2.562 -9.834 890 HB2 PRO 114 HB2 PRO 114 -12.831 2.644 -12.208 891 HB3 PRO 114 HB3 PRO 114 -14.421 3.369 -11.953 892 HG2 PRO 114 HG2 PRO 114 -12.211 4.870 -12.027 893 HG3 PRO 114 HG3 PRO 114 -13.545 5.245 -10.919 894 HD2 PRO 114 HD2 PRO 114 -10.935 3.883 -10.353 895 HD3 PRO 114 HD3 PRO 114 -11.792 5.112 -9.400 896 H ARG 115 H ARG 115 -11.539 1.066 -9.371 897 HA ARG 115 HA ARG 115 -12.585 -1.364 -10.604 898 HB2 ARG 115 HB2 ARG 115 -9.757 -0.350 -10.533 899 HB3 ARG 115 HB3 ARG 115 -10.115 -2.050 -10.786 900 HG2 ARG 115 HG2 ARG 115 -9.841 -1.172 -12.928 901 HG3 ARG 115 HG3 ARG 115 -11.587 -1.291 -12.719 902 HD2 ARG 115 HD2 ARG 115 -11.508 1.145 -11.992 903 HD3 ARG 115 HD3 ARG 115 -9.855 1.163 -12.604 904 HE ARG 115 HE ARG 115 -11.804 0.190 -14.494 905 HH11 ARG 115 HH12 ARG 115 -10.140 3.011 -13.244 906 HH12 ARG 115 HH11 ARG 115 -10.475 3.985 -14.645 907 HH21 ARG 115 HH22 ARG 115 -12.225 1.443 -16.324 908 HH22 ARG 115 HH21 ARG 115 -11.656 3.084 -16.421 909 H THR 116 H THR 116 -11.780 0.076 -7.632 910 HA THR 116 HA THR 116 -10.774 -2.299 -6.424 911 HB THR 116 HB THR 116 -11.469 -1.027 -4.277 912 HG1 THR 116 HG1 THR 116 -11.190 1.350 -5.065 913 HG21 THR 116 HG21 THR 116 -9.333 0.172 -4.437 914 HG22 THR 116 HG22 THR 116 -9.310 -0.111 -6.178 915 HG23 THR 116 HG23 THR 116 -9.205 -1.472 -5.060 916 H HIS 117 H HIS 117 -11.767 -3.932 -6.320 917 HA HIS 117 HA HIS 117 -13.774 -4.975 -4.994 918 HB2 HIS 117 HB2 HIS 117 -15.749 -5.047 -6.521 919 HB3 HIS 117 HB3 HIS 117 -15.458 -3.416 -5.942 920 HD1 HIS 117 HD1 HIS 117 -15.171 -1.612 -7.679 921 HD2 HIS 117 HD2 HIS 117 -15.053 -5.448 -9.301 922 HE1 HIS 117 HE1 HIS 117 -15.253 -1.305 -10.174 923 HE2 HIS 117 HE2 HIS 117 -15.227 -3.632 -11.138 924 H TYR 118 H TYR 118 -14.561 -7.087 -6.728 925 HA TYR 118 HA TYR 118 -11.884 -7.607 -7.764 926 HB2 TYR 118 HB2 TYR 118 -13.744 -9.298 -6.705 927 HB3 TYR 118 HB3 TYR 118 -14.031 -9.535 -8.427 928 HD1 TYR 118 HD1 TYR 118 -11.312 -9.512 -5.891 929 HD2 TYR 118 HD2 TYR 118 -12.656 -11.002 -9.640 930 HE1 TYR 118 HE1 TYR 118 -9.372 -11.018 -5.977 931 HE2 TYR 118 HE2 TYR 118 -10.720 -12.517 -9.735 932 HH TYR 118 HH TYR 118 -8.691 -13.093 -7.039 933 H GLY 119 H GLY 119 -11.950 -5.872 -9.079 934 HA2 GLY 119 HA3 GLY 119 -13.205 -6.273 -11.705 935 HA3 GLY 119 HA2 GLY 119 -12.563 -4.734 -11.097 936 H GLN 120 H GLN 120 -10.323 -5.882 -9.865 937 HA GLN 120 HA GLN 120 -8.619 -6.615 -12.131 938 HB2 GLN 120 HB2 GLN 120 -8.511 -4.075 -10.511 939 HB3 GLN 120 HB3 GLN 120 -7.036 -4.746 -11.210 940 HG2 GLN 120 HG2 GLN 120 -9.508 -4.070 -12.792 941 HG3 GLN 120 HG3 GLN 120 -8.137 -2.981 -12.577 942 HE21 GLN 120 HE21 GLN 120 -6.255 -3.367 -13.679 943 HE22 GLN 120 HE22 GLN 120 -6.121 -4.538 -14.941 944 H LYS 121 H LYS 121 -6.672 -7.605 -11.512 945 HA LYS 121 HA LYS 121 -6.644 -8.703 -8.823 946 HB2 LYS 121 HB2 LYS 121 -4.584 -9.135 -10.990 947 HB3 LYS 121 HB3 LYS 121 -4.908 -10.156 -9.596 948 HG2 LYS 121 HG2 LYS 121 -7.137 -10.669 -10.538 949 HG3 LYS 121 HG3 LYS 121 -6.705 -9.737 -11.973 950 HD2 LYS 121 HD2 LYS 121 -6.311 -12.030 -12.469 951 HD3 LYS 121 HD3 LYS 121 -4.738 -11.259 -12.255 952 HE2 LYS 121 HE2 LYS 121 -4.610 -12.127 -9.979 953 HE3 LYS 121 HE3 LYS 121 -6.201 -12.867 -10.164 954 HZ1 LYS 121 HZ1 LYS 121 -5.068 -14.007 -12.190 955 HZ2 LYS 121 HZ2 LYS 121 -4.832 -14.617 -10.629 956 HZ3 LYS 121 HZ3 LYS 121 -3.632 -13.657 -11.352 957 H ALA 122 H ALA 122 -5.919 -5.851 -9.798 958 HA ALA 122 HA ALA 122 -3.303 -5.505 -8.621 959 HB1 ALA 122 HB1 ALA 122 -3.654 -3.137 -9.111 960 HB2 ALA 122 HB2 ALA 122 -3.981 -4.136 -10.526 961 HB3 ALA 122 HB3 ALA 122 -5.318 -3.476 -9.585 962 H ILE 123 H ILE 123 -6.296 -6.080 -7.462 963 HA ILE 123 HA ILE 123 -5.925 -4.564 -5.001 964 HB ILE 123 HB ILE 123 -8.158 -6.391 -5.941 965 HG12 ILE 123 HG12 ILE 123 -9.494 -4.236 -5.597 966 HG13 ILE 123 HG13 ILE 123 -7.943 -3.418 -5.471 967 HG21 ILE 123 HG21 ILE 123 -9.391 -5.824 -3.914 968 HG22 ILE 123 HG22 ILE 123 -7.908 -6.698 -3.536 969 HG23 ILE 123 HG23 ILE 123 -7.987 -4.953 -3.298 970 HD11 ILE 123 HD11 ILE 123 -7.386 -4.141 -7.737 971 HD12 ILE 123 HD12 ILE 123 -8.946 -4.953 -7.857 972 HD13 ILE 123 HD13 ILE 123 -8.875 -3.198 -7.693 973 H LEU 124 H LEU 124 -4.511 -7.211 -6.290 974 HA LEU 124 HA LEU 124 -4.665 -8.821 -3.829 975 HB2 LEU 124 HB2 LEU 124 -3.593 -9.528 -6.564 976 HB3 LEU 124 HB3 LEU 124 -3.603 -10.604 -5.179 977 HG LEU 124 HG LEU 124 -6.064 -9.459 -6.505 978 HD11 LEU 124 HD11 LEU 124 -4.899 -12.239 -6.596 979 HD12 LEU 124 HD12 LEU 124 -6.447 -11.745 -7.282 980 HD13 LEU 124 HD13 LEU 124 -4.946 -11.085 -7.928 981 HD21 LEU 124 HD21 LEU 124 -5.773 -11.505 -4.307 982 HD22 LEU 124 HD22 LEU 124 -6.380 -9.859 -4.120 983 HD23 LEU 124 HD23 LEU 124 -7.283 -11.029 -5.083 984 H PHE 125 H PHE 125 -3.208 -8.179 -2.377 985 HA PHE 125 HA PHE 125 -0.768 -6.894 -3.328 986 HB2 PHE 125 HB2 PHE 125 -2.082 -6.958 -0.607 987 HB3 PHE 125 HB3 PHE 125 -0.605 -6.093 -0.984 988 HD1 PHE 125 HD1 PHE 125 -4.228 -6.216 -1.510 989 HD2 PHE 125 HD2 PHE 125 -0.648 -4.013 -2.135 990 HE1 PHE 125 HE1 PHE 125 -5.557 -4.248 -2.133 991 HE2 PHE 125 HE2 PHE 125 -1.973 -2.036 -2.762 992 HZ PHE 125 HZ PHE 125 -4.430 -2.153 -2.760 993 H LEU 126 H LEU 126 1.236 -7.392 -2.592 994 HA LEU 126 HA LEU 126 1.566 -9.806 -0.956 995 HB2 LEU 126 HB2 LEU 126 2.042 -10.255 -3.373 996 HB3 LEU 126 HB3 LEU 126 3.276 -9.012 -3.326 997 HG LEU 126 HG LEU 126 4.475 -10.362 -1.592 998 HD11 LEU 126 HD11 LEU 126 2.435 -12.447 -2.344 999 HD12 LEU 126 HD12 LEU 126 3.870 -12.722 -1.359 1000 HD13 LEU 126 HD13 LEU 126 2.588 -11.659 -0.775 1001 HD21 LEU 126 HD21 LEU 126 5.348 -12.004 -3.185 1002 HD22 LEU 126 HD22 LEU 126 3.979 -11.688 -4.252 1003 HD23 LEU 126 HD23 LEU 126 5.154 -10.414 -3.924 1004 HA PRO 127 HA PRO 127 4.124 -6.774 1.061 1005 HB2 PRO 127 HB2 PRO 127 4.049 -7.895 3.481 1006 HB3 PRO 127 HB3 PRO 127 2.576 -7.269 2.733 1007 HG2 PRO 127 HG2 PRO 127 3.426 -10.073 3.155 1008 HG3 PRO 127 HG3 PRO 127 1.793 -9.410 2.980 1009 HD2 PRO 127 HD2 PRO 127 3.457 -10.647 0.961 1010 HD3 PRO 127 HD3 PRO 127 1.790 -10.054 0.803 1011 H LEU 128 H LEU 128 6.238 -6.715 0.581 1012 HA LEU 128 HA LEU 128 7.926 -8.941 1.520 1013 HB2 LEU 128 HB2 LEU 128 8.438 -7.019 -0.758 1014 HB3 LEU 128 HB3 LEU 128 9.534 -8.279 -0.227 1015 HG LEU 128 HG LEU 128 6.789 -8.748 -1.393 1016 HD11 LEU 128 HD11 LEU 128 7.994 -9.573 -3.352 1017 HD12 LEU 128 HD12 LEU 128 8.352 -7.873 -3.049 1018 HD13 LEU 128 HD13 LEU 128 9.526 -9.114 -2.609 1019 HD21 LEU 128 HD21 LEU 128 8.990 -10.681 -0.672 1020 HD22 LEU 128 HD22 LEU 128 7.460 -10.488 0.184 1021 HD23 LEU 128 HD23 LEU 128 7.473 -11.091 -1.474 1022 HA PRO 129 HA PRO 129 9.628 -5.546 3.939 1023 HB2 PRO 129 HB2 PRO 129 10.678 -7.064 5.906 1024 HB3 PRO 129 HB3 PRO 129 8.956 -6.663 5.840 1025 HG2 PRO 129 HG2 PRO 129 10.338 -9.213 5.196 1026 HG3 PRO 129 HG3 PRO 129 8.706 -8.943 5.828 1027 HD2 PRO 129 HD2 PRO 129 9.401 -9.506 3.156 1028 HD3 PRO 129 HD3 PRO 129 7.822 -8.951 3.743 1029 H VAL 130 H VAL 130 11.725 -4.778 4.095 1030 HA VAL 130 HA VAL 130 13.450 -5.871 2.082 1031 HB VAL 130 HB VAL 130 14.126 -3.555 3.879 1032 HG11 VAL 130 HG11 VAL 130 15.907 -4.336 2.430 1033 HG12 VAL 130 HG12 VAL 130 14.852 -4.195 1.024 1034 HG13 VAL 130 HG13 VAL 130 15.343 -2.750 1.908 1035 HG21 VAL 130 HG21 VAL 130 13.017 -2.064 2.285 1036 HG22 VAL 130 HG22 VAL 130 12.412 -3.466 1.402 1037 HG23 VAL 130 HG23 VAL 130 11.872 -3.165 3.053 1038 H SER 131 H SER 131 15.612 -6.443 2.372 1039 HA SER 131 HA SER 131 16.118 -7.964 4.736 1040 HB2 SER 131 HB2 SER 131 18.017 -7.285 2.469 1041 HB3 SER 131 HB3 SER 131 18.155 -8.630 3.605 1042 HG SER 131 HG SER 131 15.820 -8.991 2.628 1043 H SER 132 H SER 132 17.439 -7.458 6.437 1044 HA SER 132 HA SER 132 18.000 -4.619 6.674 1045 HB2 SER 132 HB2 SER 132 18.357 -5.321 9.139 1046 HB3 SER 132 HB3 SER 132 16.718 -5.366 8.487 1047 HG SER 132 HG SER 132 18.366 -7.425 9.322 1048 H ASP 133 H ASP 133 19.866 -4.170 5.796 1049 HA ASP 133 HA ASP 133 22.248 -5.538 6.849 1050 HB2 ASP 133 HB2 ASP 133 21.902 -6.068 4.457 1051 HB3 ASP 133 HB3 ASP 133 21.910 -4.345 4.085 Start of MODEL 15 1 H1 TYR 1 H1 TYR 1 16.801 -9.060 7.122 2 H2 TYR 1 H2 TYR 1 15.385 -8.410 6.448 3 H3 TYR 1 H3 TYR 1 15.371 -9.020 8.026 4 HA TYR 1 HA TYR 1 16.783 -7.316 8.793 5 HB2 TYR 1 HB2 TYR 1 18.141 -7.115 6.734 6 HB3 TYR 1 HB3 TYR 1 16.790 -6.332 5.927 7 HD1 TYR 1 HD1 TYR 1 18.827 -5.902 9.047 8 HD2 TYR 1 HD2 TYR 1 16.872 -4.045 5.755 9 HE1 TYR 1 HE1 TYR 1 19.658 -3.708 9.794 10 HE2 TYR 1 HE2 TYR 1 17.693 -1.852 6.494 11 HH TYR 1 HH TYR 1 18.475 -0.769 8.504 12 H LYS 2 H LYS 2 14.243 -7.757 9.241 13 HA LYS 2 HA LYS 2 12.494 -6.063 7.717 14 HB2 LYS 2 HB2 LYS 2 11.920 -7.685 10.199 15 HB3 LYS 2 HB3 LYS 2 10.722 -6.975 9.127 16 HG2 LYS 2 HG2 LYS 2 11.470 -8.425 7.312 17 HG3 LYS 2 HG3 LYS 2 12.685 -9.137 8.378 18 HD2 LYS 2 HD2 LYS 2 10.923 -9.959 9.854 19 HD3 LYS 2 HD3 LYS 2 9.700 -9.212 8.825 20 HE2 LYS 2 HE2 LYS 2 9.838 -11.575 8.332 21 HE3 LYS 2 HE3 LYS 2 10.433 -10.646 6.957 22 HZ1 LYS 2 HZ1 LYS 2 12.128 -11.968 9.004 23 HZ2 LYS 2 HZ2 LYS 2 12.690 -11.092 7.667 24 HZ3 LYS 2 HZ3 LYS 2 11.848 -12.543 7.434 25 H LYS 3 H LYS 3 11.861 -4.142 8.143 26 HA LYS 3 HA LYS 3 10.976 -3.358 10.689 27 HB2 LYS 3 HB2 LYS 3 13.301 -2.670 11.051 28 HB3 LYS 3 HB3 LYS 3 13.297 -1.780 9.537 29 HG2 LYS 3 HG2 LYS 3 13.075 -0.276 11.421 30 HG3 LYS 3 HG3 LYS 3 11.610 -0.255 10.438 31 HD2 LYS 3 HD2 LYS 3 10.550 -1.809 12.032 32 HD3 LYS 3 HD3 LYS 3 12.008 -1.754 13.027 33 HE2 LYS 3 HE2 LYS 3 11.698 0.695 13.259 34 HE3 LYS 3 HE3 LYS 3 10.186 0.557 12.362 35 HZ1 LYS 3 HZ1 LYS 3 9.301 -0.854 14.091 36 HZ2 LYS 3 HZ2 LYS 3 9.849 0.599 14.772 37 HZ3 LYS 3 HZ3 LYS 3 10.775 -0.814 14.931 38 HA PRO 4 HA PRO 4 9.408 -0.747 7.057 39 HB2 PRO 4 HB2 PRO 4 11.190 -0.958 4.805 40 HB3 PRO 4 HB3 PRO 4 10.761 0.491 5.716 41 HG2 PRO 4 HG2 PRO 4 13.259 -0.620 5.711 42 HG3 PRO 4 HG3 PRO 4 12.615 0.342 7.055 43 HD2 PRO 4 HD2 PRO 4 12.763 -2.640 6.757 44 HD3 PRO 4 HD3 PRO 4 13.128 -1.631 8.177 45 H LYS 5 H LYS 5 7.914 -1.553 5.774 46 HA LYS 5 HA LYS 5 8.211 -4.239 4.645 47 HB2 LYS 5 HB2 LYS 5 5.742 -2.496 4.921 48 HB3 LYS 5 HB3 LYS 5 5.773 -4.188 4.444 49 HG2 LYS 5 HG2 LYS 5 6.916 -3.405 7.082 50 HG3 LYS 5 HG3 LYS 5 5.164 -3.499 6.890 51 HD2 LYS 5 HD2 LYS 5 6.969 -5.749 6.053 52 HD3 LYS 5 HD3 LYS 5 6.389 -5.590 7.714 53 HE2 LYS 5 HE2 LYS 5 4.592 -5.680 5.294 54 HE3 LYS 5 HE3 LYS 5 5.004 -7.090 6.269 55 HZ1 LYS 5 HZ1 LYS 5 2.850 -6.016 6.854 56 HZ2 LYS 5 HZ2 LYS 5 3.711 -4.653 7.375 57 HZ3 LYS 5 HZ3 LYS 5 3.934 -6.138 8.154 58 H LEU 6 H LEU 6 7.539 -4.594 2.444 59 HA LEU 6 HA LEU 6 7.864 -2.235 0.708 60 HB2 LEU 6 HB2 LEU 6 9.550 -3.803 0.203 61 HB3 LEU 6 HB3 LEU 6 8.453 -5.164 0.351 62 HG LEU 6 HG LEU 6 7.273 -3.961 -1.698 63 HD11 LEU 6 HD11 LEU 6 8.911 -3.000 -3.214 64 HD12 LEU 6 HD12 LEU 6 8.761 -2.058 -1.730 65 HD13 LEU 6 HD13 LEU 6 10.149 -3.124 -1.962 66 HD21 LEU 6 HD21 LEU 6 8.584 -5.422 -3.192 67 HD22 LEU 6 HD22 LEU 6 9.706 -5.727 -1.865 68 HD23 LEU 6 HD23 LEU 6 8.019 -6.238 -1.732 69 H LEU 7 H LEU 7 6.439 -1.895 -0.976 70 HA LEU 7 HA LEU 7 3.900 -3.345 -0.866 71 HB2 LEU 7 HB2 LEU 7 3.948 -0.846 -0.876 72 HB3 LEU 7 HB3 LEU 7 4.656 -0.905 -2.477 73 HG LEU 7 HG LEU 7 2.201 -0.411 -2.397 74 HD11 LEU 7 HD11 LEU 7 1.581 -1.841 -4.255 75 HD12 LEU 7 HD12 LEU 7 3.178 -1.122 -4.448 76 HD13 LEU 7 HD13 LEU 7 3.025 -2.814 -3.967 77 HD21 LEU 7 HD21 LEU 7 0.664 -2.296 -2.058 78 HD22 LEU 7 HD22 LEU 7 2.031 -3.303 -1.578 79 HD23 LEU 7 HD23 LEU 7 1.573 -1.911 -0.595 80 H TYR 8 H TYR 8 4.080 -5.195 -1.937 81 HA TYR 8 HA TYR 8 4.933 -5.030 -4.771 82 HB2 TYR 8 HB2 TYR 8 6.264 -6.405 -3.050 83 HB3 TYR 8 HB3 TYR 8 4.883 -7.482 -2.999 84 HD1 TYR 8 HD2 TYR 8 7.190 -5.950 -5.498 85 HD2 TYR 8 HD1 TYR 8 4.961 -9.378 -4.319 86 HE1 TYR 8 HE2 TYR 8 8.091 -7.186 -7.423 87 HE2 TYR 8 HE1 TYR 8 5.847 -10.623 -6.249 88 HH TYR 8 HH TYR 8 6.800 -9.949 -8.602 89 H CYS 9 H CYS 9 2.813 -4.561 -5.584 90 HA CYS 9 HA CYS 9 0.863 -6.771 -5.400 91 HB2 CYS 9 HB2 CYS 9 -0.058 -4.663 -4.561 92 HB3 CYS 9 HB3 CYS 9 0.384 -3.856 -6.063 93 HG CYS 9 HG CYS 9 -1.712 -6.527 -6.146 94 H SER 10 H SER 10 0.964 -7.987 -7.305 95 HA SER 10 HA SER 10 2.783 -6.704 -9.142 96 HB2 SER 10 HB2 SER 10 3.158 -9.330 -7.748 97 HB3 SER 10 HB3 SER 10 4.220 -8.691 -9.008 98 HG SER 10 HG SER 10 4.209 -8.124 -6.410 99 H ASN 11 H ASN 11 1.779 -6.771 -11.205 100 HA ASN 11 HA ASN 11 2.247 -9.406 -12.286 101 HB2 ASN 11 HB2 ASN 11 2.522 -8.348 -14.405 102 HB3 ASN 11 HB3 ASN 11 1.314 -7.345 -13.615 103 HD21 ASN 11 HD21 ASN 11 3.122 -6.688 -15.780 104 HD22 ASN 11 HD22 ASN 11 4.063 -5.342 -15.239 105 H GLY 12 H GLY 12 4.669 -9.650 -13.287 106 HA2 GLY 12 HA3 GLY 12 5.902 -9.990 -10.784 107 HA3 GLY 12 HA2 GLY 12 6.611 -10.400 -12.328 108 H GLY 13 H GLY 13 6.110 -7.676 -10.059 109 HA2 GLY 13 HA3 GLY 13 8.058 -6.954 -8.886 110 HA3 GLY 13 HA2 GLY 13 9.031 -7.333 -10.286 111 H HIS 14 H HIS 14 6.614 -5.065 -9.096 112 HA HIS 14 HA HIS 14 8.473 -2.944 -9.849 113 HB2 HIS 14 HB2 HIS 14 5.533 -3.031 -10.328 114 HB3 HIS 14 HB3 HIS 14 6.178 -1.524 -9.691 115 HD1 HIS 14 HD1 HIS 14 6.506 -3.802 -12.713 116 HD2 HIS 14 HD2 HIS 14 7.420 0.082 -11.526 117 HE1 HIS 14 HE1 HIS 14 7.212 -2.597 -14.806 118 HE2 HIS 14 HE2 HIS 14 7.798 -0.257 -14.060 119 H PHE 15 H PHE 15 8.096 -1.042 -8.177 120 HA PHE 15 HA PHE 15 7.119 -2.112 -5.636 121 HB2 PHE 15 HB2 PHE 15 9.722 -0.590 -5.897 122 HB3 PHE 15 HB3 PHE 15 9.065 -1.330 -4.443 123 HD1 PHE 15 HD2 PHE 15 8.623 -3.940 -4.682 124 HD2 PHE 15 HD1 PHE 15 11.396 -1.704 -7.004 125 HE1 PHE 15 HE2 PHE 15 9.879 -5.998 -5.160 126 HE2 PHE 15 HE1 PHE 15 12.655 -3.758 -7.490 127 HZ PHE 15 HZ PHE 15 11.911 -5.903 -6.562 128 H LEU 16 H LEU 16 5.972 -0.603 -4.455 129 HA LEU 16 HA LEU 16 5.435 1.866 -5.773 130 HB2 LEU 16 HB2 LEU 16 3.500 1.158 -4.875 131 HB3 LEU 16 HB3 LEU 16 4.301 0.204 -3.653 132 HG LEU 16 HG LEU 16 3.986 3.183 -3.367 133 HD11 LEU 16 HD11 LEU 16 2.091 1.017 -2.467 134 HD12 LEU 16 HD12 LEU 16 1.972 2.730 -2.067 135 HD13 LEU 16 HD13 LEU 16 1.774 2.198 -3.737 136 HD21 LEU 16 HD21 LEU 16 4.323 0.942 -1.372 137 HD22 LEU 16 HD22 LEU 16 5.574 2.084 -1.864 138 HD23 LEU 16 HD23 LEU 16 4.157 2.655 -0.984 139 H ARG 17 H ARG 17 6.083 3.829 -5.301 140 HA ARG 17 HA ARG 17 8.219 4.134 -3.302 141 HB2 ARG 17 HB2 ARG 17 8.909 3.450 -5.687 142 HB3 ARG 17 HB3 ARG 17 8.363 5.045 -6.172 143 HG2 ARG 17 HG2 ARG 17 10.014 6.079 -4.744 144 HG3 ARG 17 HG3 ARG 17 10.539 4.491 -4.174 145 HD2 ARG 17 HD2 ARG 17 12.028 5.319 -5.920 146 HD3 ARG 17 HD3 ARG 17 11.160 3.875 -6.456 147 HE ARG 17 HE ARG 17 9.573 5.775 -7.415 148 HH11 ARG 17 HH12 ARG 17 13.068 5.493 -7.523 149 HH12 ARG 17 HH11 ARG 17 13.221 6.370 -9.015 150 HH21 ARG 17 HH22 ARG 17 9.770 6.902 -9.366 151 HH22 ARG 17 HH21 ARG 17 11.338 7.176 -10.065 152 H ILE 18 H ILE 18 8.473 6.393 -2.595 153 HA ILE 18 HA ILE 18 6.196 8.029 -3.380 154 HB ILE 18 HB ILE 18 6.830 9.534 -1.586 155 HG12 ILE 18 HG12 ILE 18 8.646 8.268 0.009 156 HG13 ILE 18 HG13 ILE 18 9.288 7.925 -1.594 157 HG21 ILE 18 HG21 ILE 18 6.690 6.650 -0.741 158 HG22 ILE 18 HG22 ILE 18 6.382 8.032 0.311 159 HG23 ILE 18 HG23 ILE 18 5.327 7.721 -1.068 160 HD11 ILE 18 HD11 ILE 18 10.280 9.930 -0.641 161 HD12 ILE 18 HD12 ILE 18 9.342 10.310 -2.086 162 HD13 ILE 18 HD13 ILE 18 8.681 10.658 -0.489 163 H LEU 19 H LEU 19 6.312 9.920 -4.343 164 HA LEU 19 HA LEU 19 8.940 10.971 -5.164 165 HB2 LEU 19 HB2 LEU 19 6.331 11.014 -6.706 166 HB3 LEU 19 HB3 LEU 19 7.801 11.827 -7.203 167 HG LEU 19 HG LEU 19 7.472 8.839 -6.930 168 HD11 LEU 19 HD11 LEU 19 6.195 9.747 -8.798 169 HD12 LEU 19 HD12 LEU 19 7.632 10.585 -9.382 170 HD13 LEU 19 HD13 LEU 19 7.584 8.822 -9.368 171 HD21 LEU 19 HD21 LEU 19 9.766 10.488 -7.990 172 HD22 LEU 19 HD22 LEU 19 9.756 9.572 -6.483 173 HD23 LEU 19 HD23 LEU 19 9.657 8.728 -8.028 174 HA PRO 20 HA PRO 20 7.684 14.630 -3.094 175 HB2 PRO 20 HB2 PRO 20 8.792 16.348 -5.175 176 HB3 PRO 20 HB3 PRO 20 9.392 16.064 -3.538 177 HG2 PRO 20 HG2 PRO 20 10.705 15.165 -5.710 178 HG3 PRO 20 HG3 PRO 20 10.676 14.254 -4.187 179 HD2 PRO 20 HD2 PRO 20 9.044 13.837 -6.673 180 HD3 PRO 20 HD3 PRO 20 9.871 12.634 -5.655 181 H ASP 21 H ASP 21 6.295 13.786 -5.859 182 HA ASP 21 HA ASP 21 4.700 16.155 -6.371 183 HB2 ASP 21 HB2 ASP 21 4.516 13.329 -7.448 184 HB3 ASP 21 HB3 ASP 21 3.510 14.669 -7.982 185 H GLY 22 H GLY 22 4.702 13.546 -4.245 186 HA2 GLY 22 HA3 GLY 22 3.166 13.290 -2.462 187 HA3 GLY 22 HA2 GLY 22 1.954 14.128 -3.423 188 H THR 23 H THR 23 3.931 11.504 -4.642 189 HA THR 23 HA THR 23 1.460 10.055 -5.238 190 HB THR 23 HB THR 23 3.962 9.479 -6.684 191 HG1 THR 23 HG1 THR 23 2.958 11.509 -8.026 192 HG21 THR 23 HG21 THR 23 1.109 9.961 -7.555 193 HG22 THR 23 HG22 THR 23 1.854 8.393 -7.254 194 HG23 THR 23 HG23 THR 23 2.412 9.389 -8.597 195 H VAL 24 H VAL 24 1.409 7.820 -4.804 196 HA VAL 24 HA VAL 24 4.068 6.653 -4.422 197 HB VAL 24 HB VAL 24 2.542 6.887 -2.319 198 HG11 VAL 24 HG11 VAL 24 1.457 4.401 -3.586 199 HG12 VAL 24 HG12 VAL 24 1.270 4.805 -1.875 200 HG13 VAL 24 HG13 VAL 24 0.564 5.846 -3.113 201 HG21 VAL 24 HG21 VAL 24 4.730 5.885 -2.342 202 HG22 VAL 24 HG22 VAL 24 3.627 4.917 -1.359 203 HG23 VAL 24 HG23 VAL 24 4.062 4.384 -2.983 204 H ASP 25 H ASP 25 4.444 5.642 -6.182 205 HA ASP 25 HA ASP 25 2.506 3.744 -7.310 206 HB2 ASP 25 HB2 ASP 25 3.146 4.465 -9.596 207 HB3 ASP 25 HB3 ASP 25 2.415 5.787 -8.690 208 H GLY 26 H GLY 26 3.497 2.110 -8.812 209 HA2 GLY 26 HA3 GLY 26 6.050 1.397 -7.603 210 HA3 GLY 26 HA2 GLY 26 5.116 0.373 -8.658 211 H THR 27 H THR 27 7.843 1.334 -8.376 212 HA THR 27 HA THR 27 8.533 1.451 -11.192 213 HB THR 27 HB THR 27 9.501 3.380 -9.071 214 HG1 THR 27 HG1 THR 27 7.581 3.675 -10.691 215 HG21 THR 27 HG21 THR 27 11.128 4.207 -10.695 216 HG22 THR 27 HG22 THR 27 10.652 2.934 -11.821 217 HG23 THR 27 HG23 THR 27 11.421 2.514 -10.290 218 H ARG 28 H ARG 28 10.653 0.206 -11.461 219 HA ARG 28 HA ARG 28 10.927 -1.324 -8.977 220 HB2 ARG 28 HB2 ARG 28 10.784 -2.536 -11.124 221 HB3 ARG 28 HB3 ARG 28 12.274 -1.766 -11.637 222 HG2 ARG 28 HG2 ARG 28 13.392 -2.830 -9.667 223 HG3 ARG 28 HG3 ARG 28 11.908 -3.749 -9.412 224 HD2 ARG 28 HD2 ARG 28 13.665 -3.799 -11.862 225 HD3 ARG 28 HD3 ARG 28 13.504 -5.075 -10.658 226 HE ARG 28 HE ARG 28 11.164 -4.229 -12.232 227 HH11 ARG 28 HH12 ARG 28 13.456 -6.707 -11.275 228 HH12 ARG 28 HH11 ARG 28 12.617 -7.972 -12.114 229 HH21 ARG 28 HH22 ARG 28 10.046 -5.902 -13.299 230 HH22 ARG 28 HH21 ARG 28 10.673 -7.524 -13.258 231 H ASP 29 H ASP 29 11.978 -0.147 -7.675 232 HA ASP 29 HA ASP 29 14.863 -0.384 -7.933 233 HB2 ASP 29 HB2 ASP 29 13.453 2.146 -7.064 234 HB3 ASP 29 HB3 ASP 29 15.088 1.773 -6.538 235 H ARG 30 H ARG 30 15.248 -1.901 -6.287 236 HA ARG 30 HA ARG 30 14.123 -1.032 -3.714 237 HB2 ARG 30 HB2 ARG 30 13.537 -3.108 -2.989 238 HB3 ARG 30 HB3 ARG 30 13.187 -3.264 -4.699 239 HG2 ARG 30 HG2 ARG 30 15.751 -4.205 -3.448 240 HG3 ARG 30 HG3 ARG 30 14.322 -5.222 -3.629 241 HD2 ARG 30 HD2 ARG 30 14.413 -4.692 -6.096 242 HD3 ARG 30 HD3 ARG 30 16.000 -3.977 -5.793 243 HE ARG 30 HE ARG 30 15.537 -6.733 -4.916 244 HH11 ARG 30 HH12 ARG 30 17.032 -4.533 -7.206 245 HH12 ARG 30 HH11 ARG 30 18.150 -5.727 -7.799 246 HH21 ARG 30 HH22 ARG 30 16.994 -8.280 -5.691 247 HH22 ARG 30 HH21 ARG 30 18.110 -7.867 -6.954 248 H SER 31 H SER 31 16.695 -1.149 -5.497 249 HA SER 31 HA SER 31 18.555 -1.547 -3.291 250 HB2 SER 31 HB2 SER 31 20.230 -0.979 -5.201 251 HB3 SER 31 HB3 SER 31 19.423 -2.547 -5.230 252 HG SER 31 HG SER 31 19.445 -0.788 -7.145 253 H ASP 32 H ASP 32 16.477 0.705 -3.881 254 HA ASP 32 HA ASP 32 18.354 2.920 -3.455 255 HB2 ASP 32 HB2 ASP 32 17.108 3.131 -5.577 256 HB3 ASP 32 HB3 ASP 32 15.590 2.907 -4.726 257 H GLN 33 H GLN 33 16.868 4.720 -2.259 258 HA GLN 33 HA GLN 33 15.746 3.296 0.041 259 HB2 GLN 33 HB2 GLN 33 17.577 5.567 -0.247 260 HB3 GLN 33 HB3 GLN 33 16.470 5.619 1.128 261 HG2 GLN 33 HG2 GLN 33 17.298 3.377 1.789 262 HG3 GLN 33 HG3 GLN 33 18.449 3.444 0.459 263 HE21 GLN 33 HE21 GLN 33 17.590 6.225 2.377 264 HE22 GLN 33 HE22 GLN 33 19.111 6.383 3.189 265 H HIS 34 H HIS 34 13.802 3.677 -1.754 266 HA HIS 34 HA HIS 34 12.335 5.899 -0.527 267 HB2 HIS 34 HB2 HIS 34 12.656 5.369 -3.460 268 HB3 HIS 34 HB3 HIS 34 11.221 6.187 -2.850 269 HD1 HIS 34 HD1 HIS 34 14.841 6.689 -3.535 270 HD2 HIS 34 HD2 HIS 34 11.699 8.760 -1.751 271 HE1 HIS 34 HE1 HIS 34 15.636 9.069 -3.289 272 HE2 HIS 34 HE2 HIS 34 13.807 10.235 -2.002 273 H ILE 35 H ILE 35 12.349 2.636 -1.492 274 HA ILE 35 HA ILE 35 9.447 2.490 -1.609 275 HB ILE 35 HB ILE 35 9.635 0.255 -2.376 276 HG12 ILE 35 HG12 ILE 35 11.480 -0.507 -0.898 277 HG13 ILE 35 HG13 ILE 35 11.705 -0.991 -2.571 278 HG21 ILE 35 HG21 ILE 35 11.736 1.964 -3.685 279 HG22 ILE 35 HG22 ILE 35 10.953 0.558 -4.408 280 HG23 ILE 35 HG23 ILE 35 10.003 1.991 -4.016 281 HD11 ILE 35 HD11 ILE 35 13.254 0.995 -2.792 282 HD12 ILE 35 HD12 ILE 35 13.172 1.129 -1.035 283 HD13 ILE 35 HD13 ILE 35 13.814 -0.335 -1.778 284 H GLN 36 H GLN 36 11.023 2.910 1.034 285 HA GLN 36 HA GLN 36 10.176 0.398 2.309 286 HB2 GLN 36 HB2 GLN 36 11.715 0.889 4.133 287 HB3 GLN 36 HB3 GLN 36 12.547 0.836 2.590 288 HG2 GLN 36 HG2 GLN 36 11.656 3.512 3.454 289 HG3 GLN 36 HG3 GLN 36 12.900 2.744 4.459 290 HE21 GLN 36 HE21 GLN 36 13.876 1.242 2.061 291 HE22 GLN 36 HE22 GLN 36 14.819 2.389 1.180 292 H LEU 37 H LEU 37 8.144 0.640 2.961 293 HA LEU 37 HA LEU 37 7.567 2.960 4.657 294 HB2 LEU 37 HB2 LEU 37 5.133 2.180 4.350 295 HB3 LEU 37 HB3 LEU 37 5.918 3.076 3.076 296 HG LEU 37 HG LEU 37 6.378 0.781 1.997 297 HD11 LEU 37 HD11 LEU 37 4.807 -0.983 2.568 298 HD12 LEU 37 HD12 LEU 37 5.826 -0.586 3.954 299 HD13 LEU 37 HD13 LEU 37 4.164 0.000 3.886 300 HD21 LEU 37 HD21 LEU 37 4.182 0.772 0.948 301 HD22 LEU 37 HD22 LEU 37 3.556 1.797 2.239 302 HD23 LEU 37 HD23 LEU 37 4.785 2.419 1.139 303 H GLN 38 H GLN 38 6.648 2.644 6.629 304 HA GLN 38 HA GLN 38 7.165 -0.039 7.659 305 HB2 GLN 38 HB2 GLN 38 8.261 1.157 9.194 306 HB3 GLN 38 HB3 GLN 38 7.564 2.670 8.638 307 HG2 GLN 38 HG2 GLN 38 7.002 2.464 10.916 308 HG3 GLN 38 HG3 GLN 38 5.530 2.048 10.041 309 HE21 GLN 38 HE21 GLN 38 6.451 1.371 12.750 310 HE22 GLN 38 HE22 GLN 38 6.392 -0.355 12.844 311 H LEU 39 H LEU 39 5.467 -1.295 7.544 312 HA LEU 39 HA LEU 39 2.791 -0.067 7.729 313 HB2 LEU 39 HB2 LEU 39 3.882 -1.174 5.498 314 HB3 LEU 39 HB3 LEU 39 3.085 -2.569 6.196 315 HG LEU 39 HG LEU 39 1.808 0.018 5.331 316 HD11 LEU 39 HD11 LEU 39 1.502 -2.828 4.397 317 HD12 LEU 39 HD12 LEU 39 0.546 -1.457 3.830 318 HD13 LEU 39 HD13 LEU 39 2.283 -1.507 3.527 319 HD21 LEU 39 HD21 LEU 39 0.554 -2.310 6.778 320 HD22 LEU 39 HD22 LEU 39 0.758 -0.668 7.395 321 HD23 LEU 39 HD23 LEU 39 -0.325 -0.971 6.037 322 H SER 40 H SER 40 2.141 -0.603 9.717 323 HA SER 40 HA SER 40 2.448 -3.408 10.551 324 HB2 SER 40 HB2 SER 40 3.575 -1.722 12.002 325 HB3 SER 40 HB3 SER 40 2.012 -0.965 12.293 326 HG SER 40 HG SER 40 2.644 -2.444 13.949 327 H ALA 41 H ALA 41 0.649 -4.436 11.544 328 HA ALA 41 HA ALA 41 -1.934 -3.030 11.223 329 HB1 ALA 41 HB1 ALA 41 -1.374 -6.005 11.290 330 HB2 ALA 41 HB2 ALA 41 -2.975 -5.271 11.201 331 HB3 ALA 41 HB3 ALA 41 -1.837 -5.066 9.870 332 H GLU 42 H GLU 42 -2.238 -2.090 13.212 333 HA GLU 42 HA GLU 42 -1.246 -3.688 15.453 334 HB2 GLU 42 HB2 GLU 42 -0.537 -1.625 16.566 335 HB3 GLU 42 HB3 GLU 42 0.295 -1.923 15.050 336 HG2 GLU 42 HG2 GLU 42 -1.149 -0.275 13.950 337 HG3 GLU 42 HG3 GLU 42 -1.945 0.038 15.495 338 H SER 43 H SER 43 -4.004 -2.224 14.252 339 HA SER 43 HA SER 43 -5.224 -2.611 16.907 340 HB2 SER 43 HB2 SER 43 -6.382 -1.077 14.564 341 HB3 SER 43 HB3 SER 43 -7.075 -1.217 16.181 342 HG SER 43 HG SER 43 -4.647 -0.338 16.545 343 H VAL 44 H VAL 44 -7.710 -3.365 16.358 344 HA VAL 44 HA VAL 44 -7.318 -5.950 15.269 345 HB VAL 44 HB VAL 44 -8.977 -5.690 16.981 346 HG11 VAL 44 HG11 VAL 44 -9.612 -3.378 16.607 347 HG12 VAL 44 HG12 VAL 44 -10.420 -3.823 15.103 348 HG13 VAL 44 HG13 VAL 44 -11.043 -4.406 16.646 349 HG21 VAL 44 HG21 VAL 44 -10.314 -6.295 14.349 350 HG22 VAL 44 HG22 VAL 44 -9.418 -7.435 15.353 351 HG23 VAL 44 HG23 VAL 44 -10.928 -6.740 15.941 352 H GLY 45 H GLY 45 -6.942 -6.274 13.186 353 HA2 GLY 45 HA3 GLY 45 -7.717 -6.719 11.054 354 HA3 GLY 45 HA2 GLY 45 -9.088 -5.669 11.358 355 H GLU 46 H GLU 46 -6.843 -3.595 12.250 356 HA GLU 46 HA GLU 46 -6.763 -2.624 9.538 357 HB2 GLU 46 HB2 GLU 46 -6.736 -0.356 10.497 358 HB3 GLU 46 HB3 GLU 46 -8.193 -1.272 10.820 359 HG2 GLU 46 HG2 GLU 46 -7.257 -1.824 13.049 360 HG3 GLU 46 HG3 GLU 46 -5.921 -0.727 12.700 361 H VAL 47 H VAL 47 -5.155 -1.527 8.632 362 HA VAL 47 HA VAL 47 -2.528 -1.824 9.922 363 HB VAL 47 HB VAL 47 -1.514 -1.922 7.710 364 HG11 VAL 47 HG11 VAL 47 -2.249 -4.181 7.089 365 HG12 VAL 47 HG12 VAL 47 -2.029 -4.002 8.830 366 HG13 VAL 47 HG13 VAL 47 -3.653 -3.998 8.140 367 HG21 VAL 47 HG21 VAL 47 -4.352 -1.946 6.689 368 HG22 VAL 47 HG22 VAL 47 -3.131 -0.706 6.403 369 HG23 VAL 47 HG23 VAL 47 -2.929 -2.319 5.715 370 H TYR 48 H TYR 48 -1.096 -0.171 9.801 371 HA TYR 48 HA TYR 48 -2.154 2.360 8.733 372 HB2 TYR 48 HB2 TYR 48 -2.174 2.239 11.246 373 HB3 TYR 48 HB3 TYR 48 -0.422 2.080 11.198 374 HD1 TYR 48 HD1 TYR 48 -2.900 4.313 9.499 375 HD2 TYR 48 HD2 TYR 48 0.633 4.022 11.848 376 HE1 TYR 48 HE1 TYR 48 -2.693 6.760 9.482 377 HE2 TYR 48 HE2 TYR 48 0.851 6.472 11.837 378 HH TYR 48 HH TYR 48 0.116 8.383 10.422 379 H ILE 49 H ILE 49 -0.883 3.343 7.317 380 HA ILE 49 HA ILE 49 1.697 2.098 6.771 381 HB ILE 49 HB ILE 49 0.073 3.979 5.046 382 HG12 ILE 49 HG12 ILE 49 0.513 0.985 4.951 383 HG13 ILE 49 HG13 ILE 49 -1.009 1.827 5.224 384 HG21 ILE 49 HG21 ILE 49 2.455 4.220 4.618 385 HG22 ILE 49 HG22 ILE 49 2.624 2.471 4.449 386 HG23 ILE 49 HG23 ILE 49 1.679 3.384 3.273 387 HD11 ILE 49 HD11 ILE 49 0.590 1.850 2.676 388 HD12 ILE 49 HD12 ILE 49 -0.884 0.931 2.976 389 HD13 ILE 49 HD13 ILE 49 -0.936 2.694 2.944 390 H LYS 50 H LYS 50 3.448 2.993 7.397 391 HA LYS 50 HA LYS 50 3.502 5.886 7.933 392 HB2 LYS 50 HB2 LYS 50 4.960 3.717 9.459 393 HB3 LYS 50 HB3 LYS 50 4.998 5.439 9.809 394 HG2 LYS 50 HG2 LYS 50 2.641 5.400 10.375 395 HG3 LYS 50 HG3 LYS 50 2.555 3.688 9.958 396 HD2 LYS 50 HD2 LYS 50 2.734 3.830 12.326 397 HD3 LYS 50 HD3 LYS 50 4.290 3.264 11.714 398 HE2 LYS 50 HE2 LYS 50 4.715 4.901 13.398 399 HE3 LYS 50 HE3 LYS 50 5.106 5.622 11.838 400 HZ1 LYS 50 HZ1 LYS 50 3.866 7.118 13.322 401 HZ2 LYS 50 HZ2 LYS 50 2.551 6.049 13.302 402 HZ3 LYS 50 HZ3 LYS 50 3.036 6.822 11.875 403 H SER 51 H SER 51 5.498 6.931 7.505 404 HA SER 51 HA SER 51 7.172 5.661 5.557 405 HB2 SER 51 HB2 SER 51 7.553 8.294 7.012 406 HB3 SER 51 HB3 SER 51 8.372 7.782 5.538 407 HG SER 51 HG SER 51 5.562 8.068 5.731 408 H THR 52 H THR 52 9.038 4.640 5.958 409 HA THR 52 HA THR 52 10.243 4.741 8.551 410 HB THR 52 HB THR 52 11.533 3.889 5.937 411 HG1 THR 52 HG1 THR 52 9.986 2.336 7.773 412 HG21 THR 52 HG21 THR 52 12.044 3.102 8.805 413 HG22 THR 52 HG22 THR 52 13.060 4.158 7.823 414 HG23 THR 52 HG23 THR 52 12.882 2.456 7.397 415 H GLU 53 H GLU 53 12.326 5.379 5.858 416 HA GLU 53 HA GLU 53 12.545 8.162 6.748 417 HB2 GLU 53 HB2 GLU 53 14.097 6.602 4.673 418 HB3 GLU 53 HB3 GLU 53 14.356 8.309 5.006 419 HG2 GLU 53 HG2 GLU 53 14.978 7.778 7.298 420 HG3 GLU 53 HG3 GLU 53 14.696 6.068 6.983 421 H THR 54 H THR 54 11.850 6.357 3.789 422 HA THR 54 HA THR 54 10.512 8.710 2.649 423 HB THR 54 HB THR 54 10.972 7.600 0.447 424 HG1 THR 54 HG1 THR 54 13.100 6.207 1.247 425 HG21 THR 54 HG21 THR 54 13.321 8.404 2.168 426 HG22 THR 54 HG22 THR 54 12.296 9.492 1.233 427 HG23 THR 54 HG23 THR 54 13.325 8.324 0.408 428 H GLY 55 H GLY 55 9.000 6.613 4.322 429 HA2 GLY 55 HA3 GLY 55 8.428 4.669 2.243 430 HA3 GLY 55 HA2 GLY 55 8.067 4.482 3.941 431 H GLN 56 H GLN 56 6.519 7.096 3.954 432 HA GLN 56 HA GLN 56 4.835 7.596 1.876 433 HB2 GLN 56 HB2 GLN 56 4.156 5.237 1.876 434 HB3 GLN 56 HB3 GLN 56 3.634 5.378 3.543 435 HG2 GLN 56 HG2 GLN 56 1.629 5.636 2.615 436 HG3 GLN 56 HG3 GLN 56 2.150 7.308 2.421 437 HE21 GLN 56 HE21 GLN 56 2.212 8.137 0.398 438 HE22 GLN 56 HE22 GLN 56 2.052 7.206 -1.043 439 H TYR 57 H TYR 57 3.952 9.458 2.470 440 HA TYR 57 HA TYR 57 2.660 9.622 5.091 441 HB2 TYR 57 HB2 TYR 57 3.600 11.784 3.192 442 HB3 TYR 57 HB3 TYR 57 2.642 12.091 4.630 443 HD1 TYR 57 HD1 TYR 57 3.615 11.616 6.883 444 HD2 TYR 57 HD2 TYR 57 5.945 11.414 3.330 445 HE1 TYR 57 HE1 TYR 57 5.669 11.725 8.231 446 HE2 TYR 57 HE2 TYR 57 8.005 11.519 4.669 447 HH TYR 57 HH TYR 57 8.091 11.014 7.965 448 H LEU 58 H LEU 58 1.117 8.201 4.126 449 HA LEU 58 HA LEU 58 -0.153 8.910 1.672 450 HB2 LEU 58 HB2 LEU 58 0.233 6.586 3.004 451 HB3 LEU 58 HB3 LEU 58 -1.453 6.893 3.371 452 HG LEU 58 HG LEU 58 -0.367 6.890 0.573 453 HD11 LEU 58 HD11 LEU 58 -1.298 4.609 0.389 454 HD12 LEU 58 HD12 LEU 58 0.027 4.695 1.550 455 HD13 LEU 58 HD13 LEU 58 -1.641 4.624 2.119 456 HD21 LEU 58 HD21 LEU 58 -2.486 8.031 0.831 457 HD22 LEU 58 HD22 LEU 58 -2.731 6.502 -0.014 458 HD23 LEU 58 HD23 LEU 58 -3.160 6.647 1.692 459 H ALA 59 H ALA 59 -1.997 9.739 1.229 460 HA ALA 59 HA ALA 59 -4.078 10.000 3.256 461 HB1 ALA 59 HB1 ALA 59 -3.057 12.207 1.457 462 HB2 ALA 59 HB2 ALA 59 -4.580 12.283 2.353 463 HB3 ALA 59 HB3 ALA 59 -3.048 12.176 3.221 464 H MET 60 H MET 60 -5.827 8.855 2.389 465 HA MET 60 HA MET 60 -6.039 8.590 -0.472 466 HB2 MET 60 HB2 MET 60 -7.814 7.747 1.806 467 HB3 MET 60 HB3 MET 60 -8.331 7.589 0.134 468 HG2 MET 60 HG2 MET 60 -6.097 6.325 -0.173 469 HG3 MET 60 HG3 MET 60 -6.153 6.162 1.582 470 HE1 MET 60 HE1 MET 60 -9.259 5.938 2.167 471 HE2 MET 60 HE2 MET 60 -9.452 4.185 2.155 472 HE3 MET 60 HE3 MET 60 -8.026 4.911 2.897 473 H ASP 61 H ASP 61 -7.638 9.446 -1.815 474 HA ASP 61 HA ASP 61 -8.589 12.043 -0.820 475 HB2 ASP 61 HB2 ASP 61 -6.821 12.062 -2.644 476 HB3 ASP 61 HB3 ASP 61 -8.045 11.336 -3.682 477 H THR 62 H THR 62 -10.535 11.697 -0.296 478 HA THR 62 HA THR 62 -12.726 11.294 -0.302 479 HB THR 62 HB THR 62 -12.355 10.485 -3.187 480 HG1 THR 62 HG1 THR 62 -12.316 12.566 -3.554 481 HG21 THR 62 HG21 THR 62 -14.838 11.100 -1.590 482 HG22 THR 62 HG22 THR 62 -14.350 9.511 -2.178 483 HG23 THR 62 HG23 THR 62 -14.798 10.775 -3.324 484 H ASP 63 H ASP 63 -11.476 8.956 -2.572 485 HA ASP 63 HA ASP 63 -10.636 6.942 -0.912 486 HB2 ASP 63 HB2 ASP 63 -13.169 7.243 -0.301 487 HB3 ASP 63 HB3 ASP 63 -13.424 6.208 -1.700 488 H GLY 64 H GLY 64 -10.700 8.176 -3.756 489 HA2 GLY 64 HA3 GLY 64 -11.353 5.753 -5.309 490 HA3 GLY 64 HA2 GLY 64 -11.393 7.391 -5.940 491 H LEU 65 H LEU 65 -8.830 7.902 -4.492 492 HA LEU 65 HA LEU 65 -6.858 6.195 -5.636 493 HB2 LEU 65 HB2 LEU 65 -7.461 7.454 -7.638 494 HB3 LEU 65 HB3 LEU 65 -7.219 8.970 -6.794 495 HG LEU 65 HG LEU 65 -4.917 7.078 -7.050 496 HD11 LEU 65 HD11 LEU 65 -5.858 8.938 -9.232 497 HD12 LEU 65 HD12 LEU 65 -4.369 7.993 -9.235 498 HD13 LEU 65 HD13 LEU 65 -5.933 7.176 -9.286 499 HD21 LEU 65 HD21 LEU 65 -3.645 9.157 -7.147 500 HD22 LEU 65 HD22 LEU 65 -5.142 10.089 -7.126 501 HD23 LEU 65 HD23 LEU 65 -4.680 9.126 -5.720 502 H LEU 66 H LEU 66 -4.950 6.437 -4.552 503 HA LEU 66 HA LEU 66 -5.010 8.463 -2.448 504 HB2 LEU 66 HB2 LEU 66 -3.408 6.578 -1.386 505 HB3 LEU 66 HB3 LEU 66 -5.116 6.746 -1.058 506 HG LEU 66 HG LEU 66 -4.350 4.447 -1.475 507 HD11 LEU 66 HD11 LEU 66 -6.668 4.971 -1.689 508 HD12 LEU 66 HD12 LEU 66 -6.425 5.529 -3.344 509 HD13 LEU 66 HD13 LEU 66 -6.214 3.824 -2.949 510 HD21 LEU 66 HD21 LEU 66 -3.503 5.601 -4.046 511 HD22 LEU 66 HD22 LEU 66 -2.798 4.299 -3.101 512 HD23 LEU 66 HD23 LEU 66 -4.223 3.991 -4.099 513 H TYR 67 H TYR 67 -3.293 9.494 -1.876 514 HA TYR 67 HA TYR 67 -0.868 9.174 -3.463 515 HB2 TYR 67 HB2 TYR 67 -0.750 11.635 -3.666 516 HB3 TYR 67 HB3 TYR 67 -2.221 11.022 -4.413 517 HD1 TYR 67 HD1 TYR 67 -4.406 11.292 -3.220 518 HD2 TYR 67 HD2 TYR 67 -0.839 13.162 -1.844 519 HE1 TYR 67 HE1 TYR 67 -5.747 12.816 -1.834 520 HE2 TYR 67 HE2 TYR 67 -2.171 14.692 -0.455 521 HH TYR 67 HH TYR 67 -5.345 14.179 0.319 522 H GLY 68 H GLY 68 1.053 9.834 -2.211 523 HA2 GLY 68 HA3 GLY 68 0.498 11.079 0.320 524 HA3 GLY 68 HA2 GLY 68 1.050 9.423 0.470 525 H SER 69 H SER 69 1.931 12.523 0.453 526 HA SER 69 HA SER 69 4.634 11.652 0.849 527 HB2 SER 69 HB2 SER 69 4.121 13.784 -1.226 528 HB3 SER 69 HB3 SER 69 5.710 13.319 -0.607 529 HG SER 69 HG SER 69 4.555 11.096 -1.376 530 H GLN 70 H GLN 70 2.469 14.355 0.600 531 HA GLN 70 HA GLN 70 4.120 16.049 2.234 532 HB2 GLN 70 HB2 GLN 70 3.043 17.018 0.342 533 HB3 GLN 70 HB3 GLN 70 1.472 16.422 0.853 534 HG2 GLN 70 HG2 GLN 70 1.464 17.952 2.723 535 HG3 GLN 70 HG3 GLN 70 3.084 18.510 2.298 536 HE21 GLN 70 HE21 GLN 70 -0.285 18.509 1.379 537 HE22 GLN 70 HE22 GLN 70 -0.174 19.816 0.249 538 H THR 71 H THR 71 0.971 14.473 2.593 539 HA THR 71 HA THR 71 0.992 15.248 5.428 540 HB THR 71 HB THR 71 -1.545 15.234 3.804 541 HG1 THR 71 HG1 THR 71 -1.004 17.104 2.985 542 HG21 THR 71 HG21 THR 71 -2.334 16.698 5.614 543 HG22 THR 71 HG22 THR 71 -0.762 16.560 6.403 544 HG23 THR 71 HG23 THR 71 -1.789 15.136 6.230 545 HA PRO 72 HA PRO 72 -0.824 11.122 5.742 546 HB2 PRO 72 HB2 PRO 72 0.325 10.425 8.040 547 HB3 PRO 72 HB3 PRO 72 1.280 10.549 6.556 548 HG2 PRO 72 HG2 PRO 72 1.316 12.285 8.931 549 HG3 PRO 72 HG3 PRO 72 2.509 12.153 7.630 550 HD2 PRO 72 HD2 PRO 72 0.314 14.083 7.942 551 HD3 PRO 72 HD3 PRO 72 1.710 14.140 6.839 552 H ASN 73 H ASN 73 -2.984 11.539 6.169 553 HA ASN 73 HA ASN 73 -3.794 12.513 8.844 554 HB2 ASN 73 HB2 ASN 73 -5.456 11.919 6.362 555 HB3 ASN 73 HB3 ASN 73 -6.071 12.596 7.864 556 HD21 ASN 73 HD21 ASN 73 -6.055 13.591 5.071 557 HD22 ASN 73 HD22 ASN 73 -5.333 15.166 5.175 558 H GLU 74 H GLU 74 -5.823 10.888 9.734 559 HA GLU 74 HA GLU 74 -4.951 8.369 8.502 560 HB2 GLU 74 HB2 GLU 74 -6.857 8.920 10.795 561 HB3 GLU 74 HB3 GLU 74 -6.684 7.333 10.066 562 HG2 GLU 74 HG2 GLU 74 -5.401 7.449 12.093 563 HG3 GLU 74 HG3 GLU 74 -4.314 7.309 10.712 564 H GLU 75 H GLU 75 -5.527 9.095 6.710 565 HA GLU 75 HA GLU 75 -8.011 7.815 5.887 566 HB2 GLU 75 HB2 GLU 75 -6.269 9.779 4.397 567 HB3 GLU 75 HB3 GLU 75 -7.780 9.083 3.803 568 HG2 GLU 75 HG2 GLU 75 -9.046 10.307 5.439 569 HG3 GLU 75 HG3 GLU 75 -7.569 10.886 6.208 570 H CYS 76 H CYS 76 -4.643 8.146 6.245 571 HA CYS 76 HA CYS 76 -3.575 6.663 4.199 572 HB2 CYS 76 HB2 CYS 76 -2.239 7.987 5.736 573 HB3 CYS 76 HB3 CYS 76 -2.681 6.932 7.074 574 HG CYS 76 HG CYS 76 -0.125 6.209 6.621 575 H LEU 77 H LEU 77 -5.466 5.591 6.885 576 HA LEU 77 HA LEU 77 -4.182 3.018 7.051 577 HB2 LEU 77 HB2 LEU 77 -6.080 2.675 8.819 578 HB3 LEU 77 HB3 LEU 77 -4.652 3.613 9.188 579 HG LEU 77 HG LEU 77 -5.950 5.693 8.753 580 HD11 LEU 77 HD11 LEU 77 -8.299 3.811 8.567 581 HD12 LEU 77 HD12 LEU 77 -8.393 5.569 8.678 582 HD13 LEU 77 HD13 LEU 77 -7.657 4.811 7.265 583 HD21 LEU 77 HD21 LEU 77 -7.199 5.605 10.837 584 HD22 LEU 77 HD22 LEU 77 -7.119 3.842 10.829 585 HD23 LEU 77 HD23 LEU 77 -5.644 4.791 11.006 586 H PHE 78 H PHE 78 -5.100 1.080 6.678 587 HA PHE 78 HA PHE 78 -7.573 1.094 5.146 588 HB2 PHE 78 HB2 PHE 78 -5.067 -0.496 4.537 589 HB3 PHE 78 HB3 PHE 78 -6.557 -0.512 3.614 590 HD1 PHE 78 HD2 PHE 78 -7.348 1.936 2.851 591 HD2 PHE 78 HD1 PHE 78 -3.356 0.769 3.728 592 HE1 PHE 78 HE2 PHE 78 -6.506 3.776 1.450 593 HE2 PHE 78 HE1 PHE 78 -2.511 2.601 2.331 594 HZ PHE 78 HZ PHE 78 -4.109 4.191 1.277 595 H LEU 79 H LEU 79 -8.618 -1.071 5.108 596 HA LEU 79 HA LEU 79 -8.150 -2.528 7.602 597 HB2 LEU 79 HB2 LEU 79 -10.465 -1.828 6.984 598 HB3 LEU 79 HB3 LEU 79 -10.363 -2.859 5.570 599 HG LEU 79 HG LEU 79 -10.053 -4.816 7.122 600 HD11 LEU 79 HD11 LEU 79 -10.837 -2.780 9.204 601 HD12 LEU 79 HD12 LEU 79 -10.733 -4.523 9.453 602 HD13 LEU 79 HD13 LEU 79 -9.279 -3.598 9.079 603 HD21 LEU 79 HD21 LEU 79 -12.424 -4.948 7.715 604 HD22 LEU 79 HD22 LEU 79 -12.600 -3.221 7.399 605 HD23 LEU 79 HD23 LEU 79 -12.201 -4.323 6.081 606 H GLU 80 H GLU 80 -7.277 -4.509 7.642 607 HA GLU 80 HA GLU 80 -6.198 -5.460 5.080 608 HB2 GLU 80 HB2 GLU 80 -4.529 -4.921 6.744 609 HB3 GLU 80 HB3 GLU 80 -5.317 -5.959 7.924 610 HG2 GLU 80 HG2 GLU 80 -4.789 -7.913 6.594 611 HG3 GLU 80 HG3 GLU 80 -4.051 -6.893 5.361 612 H ARG 81 H ARG 81 -7.175 -7.130 4.157 613 HA ARG 81 HA ARG 81 -7.943 -9.376 5.867 614 HB2 ARG 81 HB2 ARG 81 -9.970 -8.072 4.974 615 HB3 ARG 81 HB3 ARG 81 -9.491 -8.648 3.381 616 HG2 ARG 81 HG2 ARG 81 -9.571 -10.988 4.394 617 HG3 ARG 81 HG3 ARG 81 -10.441 -10.242 5.734 618 HD2 ARG 81 HD2 ARG 81 -12.080 -11.077 4.241 619 HD3 ARG 81 HD3 ARG 81 -12.052 -9.326 4.031 620 HE ARG 81 HE ARG 81 -10.839 -9.660 1.968 621 HH11 ARG 81 HH12 ARG 81 -12.350 -12.487 3.371 622 HH12 ARG 81 HH11 ARG 81 -12.306 -13.408 1.895 623 HH21 ARG 81 HH22 ARG 81 -10.764 -10.865 0.018 624 HH22 ARG 81 HH21 ARG 81 -11.403 -12.482 -0.017 625 H LEU 82 H LEU 82 -6.389 -10.789 5.355 626 HA LEU 82 HA LEU 82 -5.396 -10.845 2.603 627 HB2 LEU 82 HB2 LEU 82 -3.508 -12.197 3.621 628 HB3 LEU 82 HB3 LEU 82 -3.594 -10.510 4.085 629 HG LEU 82 HG LEU 82 -4.926 -12.462 5.884 630 HD11 LEU 82 HD11 LEU 82 -2.805 -12.990 6.992 631 HD12 LEU 82 HD12 LEU 82 -2.844 -13.613 5.343 632 HD13 LEU 82 HD13 LEU 82 -1.929 -12.152 5.711 633 HD21 LEU 82 HD21 LEU 82 -3.999 -10.952 7.588 634 HD22 LEU 82 HD22 LEU 82 -3.211 -10.019 6.319 635 HD23 LEU 82 HD23 LEU 82 -4.972 -10.090 6.399 636 H GLU 83 H GLU 83 -6.490 -12.307 1.383 637 HA GLU 83 HA GLU 83 -7.059 -14.876 2.720 638 HB2 GLU 83 HB2 GLU 83 -9.112 -13.686 2.104 639 HB3 GLU 83 HB3 GLU 83 -8.559 -13.573 0.440 640 HG2 GLU 83 HG2 GLU 83 -10.159 -15.317 0.556 641 HG3 GLU 83 HG3 GLU 83 -8.575 -16.060 0.342 642 H GLU 84 H GLU 84 -5.031 -15.698 2.119 643 HA GLU 84 HA GLU 84 -5.657 -17.422 -0.102 644 HB2 GLU 84 HB2 GLU 84 -3.722 -15.615 -0.693 645 HB3 GLU 84 HB3 GLU 84 -2.748 -16.802 0.161 646 HG2 GLU 84 HG2 GLU 84 -4.446 -17.321 -2.276 647 HG3 GLU 84 HG3 GLU 84 -2.691 -17.179 -2.239 648 H ASN 85 H ASN 85 -2.901 -18.663 0.571 649 HA ASN 85 HA ASN 85 -3.408 -19.204 3.382 650 HB2 ASN 85 HB2 ASN 85 -1.408 -20.354 1.434 651 HB3 ASN 85 HB3 ASN 85 -1.369 -20.709 3.162 652 HD21 ASN 85 HD21 ASN 85 -3.123 -21.123 0.187 653 HD22 ASN 85 HD22 ASN 85 -4.174 -22.384 0.751 654 H HIS 86 H HIS 86 -2.777 -16.686 2.196 655 HA HIS 86 HA HIS 86 -1.783 -15.235 4.084 656 HB2 HIS 86 HB2 HIS 86 0.553 -15.026 4.252 657 HB3 HIS 86 HB3 HIS 86 0.220 -16.749 4.257 658 HD1 HIS 86 HD1 HIS 86 2.021 -14.094 2.420 659 HD2 HIS 86 HD2 HIS 86 1.100 -18.120 1.908 660 HE1 HIS 86 HE1 HIS 86 3.549 -14.914 0.604 661 HE2 HIS 86 HE2 HIS 86 3.146 -17.396 0.489 662 H TYR 87 H TYR 87 -2.439 -15.208 0.808 663 HA TYR 87 HA TYR 87 -0.895 -12.806 0.309 664 HB2 TYR 87 HB2 TYR 87 -1.434 -12.858 -1.882 665 HB3 TYR 87 HB3 TYR 87 -1.794 -14.536 -1.525 666 HD1 TYR 87 HD1 TYR 87 -3.655 -11.249 -1.423 667 HD2 TYR 87 HD2 TYR 87 -3.654 -15.335 -2.603 668 HE1 TYR 87 HE1 TYR 87 -5.857 -10.943 -2.472 669 HE2 TYR 87 HE2 TYR 87 -5.861 -15.042 -3.637 670 HH TYR 87 HH TYR 87 -7.294 -11.924 -4.083 671 H ASN 88 H ASN 88 -1.676 -10.706 0.086 672 HA ASN 88 HA ASN 88 -3.704 -10.325 2.178 673 HB2 ASN 88 HB2 ASN 88 -1.167 -9.488 2.177 674 HB3 ASN 88 HB3 ASN 88 -1.895 -8.132 1.320 675 HD21 ASN 88 HD21 ASN 88 -0.677 -8.291 3.976 676 HD22 ASN 88 HD22 ASN 88 -1.875 -7.698 5.076 677 H THR 89 H THR 89 -5.340 -8.952 1.973 678 HA THR 89 HA THR 89 -5.622 -7.468 -0.541 679 HB THR 89 HB THR 89 -7.923 -8.688 0.998 680 HG1 THR 89 HG1 THR 89 -6.164 -9.859 -0.723 681 HG21 THR 89 HG21 THR 89 -7.688 -7.487 -1.768 682 HG22 THR 89 HG22 THR 89 -8.531 -6.782 -0.384 683 HG23 THR 89 HG23 THR 89 -9.139 -8.263 -1.128 684 H TYR 90 H TYR 90 -6.965 -5.480 -0.214 685 HA TYR 90 HA TYR 90 -7.061 -4.667 2.594 686 HB2 TYR 90 HB2 TYR 90 -5.504 -3.285 0.426 687 HB3 TYR 90 HB3 TYR 90 -6.067 -2.412 1.850 688 HD1 TYR 90 HD1 TYR 90 -5.350 -3.362 4.153 689 HD2 TYR 90 HD2 TYR 90 -3.501 -4.446 0.481 690 HE1 TYR 90 HE1 TYR 90 -3.356 -4.119 5.385 691 HE2 TYR 90 HE2 TYR 90 -1.510 -5.205 1.700 692 HH TYR 90 HH TYR 90 -0.397 -4.816 3.832 693 H ILE 91 H ILE 91 -8.501 -3.091 3.120 694 HA ILE 91 HA ILE 91 -10.400 -2.284 1.015 695 HB ILE 91 HB ILE 91 -10.882 -3.531 3.514 696 HG12 ILE 91 HG12 ILE 91 -13.245 -3.346 2.808 697 HG13 ILE 91 HG13 ILE 91 -12.756 -2.203 1.559 698 HG21 ILE 91 HG21 ILE 91 -11.925 -0.702 3.470 699 HG22 ILE 91 HG22 ILE 91 -12.446 -1.964 4.588 700 HG23 ILE 91 HG23 ILE 91 -10.780 -1.382 4.628 701 HD11 ILE 91 HD11 ILE 91 -11.436 -3.928 0.479 702 HD12 ILE 91 HD12 ILE 91 -11.863 -5.071 1.752 703 HD13 ILE 91 HD13 ILE 91 -13.110 -4.450 0.671 704 H SER 92 H SER 92 -11.223 -0.111 1.106 705 HA SER 92 HA SER 92 -9.211 1.758 2.057 706 HB2 SER 92 HB2 SER 92 -10.817 3.393 0.860 707 HB3 SER 92 HB3 SER 92 -9.932 2.237 -0.137 708 HG SER 92 HG SER 92 -12.474 2.589 -0.151 709 H LYS 93 H LYS 93 -9.375 2.072 4.193 710 HA LYS 93 HA LYS 93 -11.840 1.647 5.551 711 HB2 LYS 93 HB2 LYS 93 -9.306 1.371 6.306 712 HB3 LYS 93 HB3 LYS 93 -9.547 3.012 6.888 713 HG2 LYS 93 HG2 LYS 93 -11.698 1.956 7.960 714 HG3 LYS 93 HG3 LYS 93 -10.753 0.466 7.812 715 HD2 LYS 93 HD2 LYS 93 -8.929 1.484 9.072 716 HD3 LYS 93 HD3 LYS 93 -9.838 2.991 9.200 717 HE2 LYS 93 HE2 LYS 93 -11.641 1.678 10.362 718 HE3 LYS 93 HE3 LYS 93 -10.520 0.319 10.412 719 HZ1 LYS 93 HZ1 LYS 93 -10.042 2.986 11.635 720 HZ2 LYS 93 HZ2 LYS 93 -8.988 1.657 11.711 721 HZ3 LYS 93 HZ3 LYS 93 -10.501 1.584 12.471 722 H LYS 94 H LYS 94 -10.595 4.345 3.966 723 HA LYS 94 HA LYS 94 -11.753 6.406 5.526 724 HB2 LYS 94 HB2 LYS 94 -10.160 7.060 3.839 725 HB3 LYS 94 HB3 LYS 94 -11.091 6.297 2.563 726 HG2 LYS 94 HG2 LYS 94 -11.634 8.460 2.206 727 HG3 LYS 94 HG3 LYS 94 -12.931 7.994 3.308 728 HD2 LYS 94 HD2 LYS 94 -11.745 8.985 5.175 729 HD3 LYS 94 HD3 LYS 94 -10.379 9.381 4.126 730 HE2 LYS 94 HE2 LYS 94 -11.942 10.753 2.742 731 HE3 LYS 94 HE3 LYS 94 -13.186 10.468 3.956 732 HZ1 LYS 94 HZ1 LYS 94 -12.180 12.567 4.370 733 HZ2 LYS 94 HZ2 LYS 94 -10.618 11.910 4.329 734 HZ3 LYS 94 HZ3 LYS 94 -11.673 11.512 5.599 735 H HIS 95 H HIS 95 -12.927 5.281 2.344 736 HA HIS 95 HA HIS 95 -15.610 5.427 3.476 737 HB2 HIS 95 HB2 HIS 95 -14.665 5.261 0.636 738 HB3 HIS 95 HB3 HIS 95 -16.345 4.935 1.064 739 HD1 HIS 95 HD1 HIS 95 -13.776 7.677 1.156 740 HD2 HIS 95 HD2 HIS 95 -17.881 7.172 1.539 741 HE1 HIS 95 HE1 HIS 95 -14.725 9.983 1.304 742 HE2 HIS 95 HE2 HIS 95 -17.226 9.671 1.313 743 H ALA 96 H ALA 96 -14.149 3.397 4.564 744 HA ALA 96 HA ALA 96 -14.590 0.873 3.445 745 HB1 ALA 96 HB1 ALA 96 -14.772 1.633 6.364 746 HB2 ALA 96 HB2 ALA 96 -14.534 0.005 5.729 747 HB3 ALA 96 HB3 ALA 96 -13.288 1.232 5.498 748 H GLU 97 H GLU 97 -16.714 3.119 4.956 749 HA GLU 97 HA GLU 97 -18.944 1.531 5.488 750 HB2 GLU 97 HB2 GLU 97 -18.474 3.900 6.231 751 HB3 GLU 97 HB3 GLU 97 -18.967 4.422 4.627 752 HG2 GLU 97 HG2 GLU 97 -20.769 4.680 6.215 753 HG3 GLU 97 HG3 GLU 97 -21.181 3.478 4.992 754 H LYS 98 H LYS 98 -17.696 2.710 2.447 755 HA LYS 98 HA LYS 98 -20.288 2.344 1.137 756 HB2 LYS 98 HB2 LYS 98 -18.769 4.322 0.663 757 HB3 LYS 98 HB3 LYS 98 -17.680 3.194 -0.131 758 HG2 LYS 98 HG2 LYS 98 -19.593 2.572 -1.639 759 HG3 LYS 98 HG3 LYS 98 -20.483 3.922 -0.935 760 HD2 LYS 98 HD2 LYS 98 -17.840 4.106 -2.378 761 HD3 LYS 98 HD3 LYS 98 -19.411 4.559 -3.039 762 HE2 LYS 98 HE2 LYS 98 -18.117 5.813 -0.621 763 HE3 LYS 98 HE3 LYS 98 -18.088 6.493 -2.246 764 HZ1 LYS 98 HZ1 LYS 98 -20.513 6.600 -2.186 765 HZ2 LYS 98 HZ2 LYS 98 -19.813 7.512 -0.936 766 HZ3 LYS 98 HZ3 LYS 98 -20.513 6.003 -0.598 767 H ASN 99 H ASN 99 -17.679 0.454 1.959 768 HA ASN 99 HA ASN 99 -17.335 -1.764 1.582 769 HB2 ASN 99 HB2 ASN 99 -19.815 -1.838 1.004 770 HB3 ASN 99 HB3 ASN 99 -19.339 -1.688 -0.680 771 HD21 ASN 99 HD21 ASN 99 -18.484 -3.445 -1.735 772 HD22 ASN 99 HD22 ASN 99 -18.431 -5.030 -1.048 773 H TRP 100 H TRP 100 -16.142 0.594 0.050 774 HA TRP 100 HA TRP 100 -15.347 -0.502 -2.462 775 HB2 TRP 100 HB2 TRP 100 -14.647 1.912 -0.868 776 HB3 TRP 100 HB3 TRP 100 -13.528 1.400 -2.126 777 HD1 TRP 100 HD1 TRP 100 -16.953 0.620 -3.277 778 HE1 TRP 100 HE1 TRP 100 -17.783 2.439 -4.913 779 HE3 TRP 100 HE3 TRP 100 -13.416 4.163 -2.383 780 HZ2 TRP 100 HZ2 TRP 100 -17.010 5.051 -5.708 781 HZ3 TRP 100 HZ3 TRP 100 -13.513 6.290 -3.610 782 HH2 TRP 100 HH2 TRP 100 -15.266 6.732 -5.231 783 H PHE 101 H PHE 101 -13.384 -1.356 -3.053 784 HA PHE 101 HA PHE 101 -11.862 -2.586 -0.872 785 HB2 PHE 101 HB2 PHE 101 -11.702 -3.096 -3.857 786 HB3 PHE 101 HB3 PHE 101 -10.882 -4.013 -2.607 787 HD1 PHE 101 HD1 PHE 101 -14.357 -3.028 -3.566 788 HD2 PHE 101 HD2 PHE 101 -11.766 -6.035 -2.034 789 HE1 PHE 101 HE1 PHE 101 -16.219 -4.633 -3.579 790 HE2 PHE 101 HE2 PHE 101 -13.629 -7.639 -2.033 791 HZ PHE 101 HZ PHE 101 -15.852 -6.941 -2.821 792 H VAL 102 H VAL 102 -9.607 -2.148 -0.691 793 HA VAL 102 HA VAL 102 -8.780 0.058 -2.434 794 HB VAL 102 HB VAL 102 -8.695 -0.034 0.311 795 HG11 VAL 102 HG11 VAL 102 -6.848 -1.578 0.404 796 HG12 VAL 102 HG12 VAL 102 -5.889 -0.533 -0.642 797 HG13 VAL 102 HG13 VAL 102 -6.347 0.013 0.971 798 HG21 VAL 102 HG21 VAL 102 -8.697 1.974 -0.986 799 HG22 VAL 102 HG22 VAL 102 -7.329 2.011 0.127 800 HG23 VAL 102 HG23 VAL 102 -7.068 1.645 -1.579 801 H GLY 103 H GLY 103 -7.651 -0.549 -4.081 802 HA2 GLY 103 HA3 GLY 103 -5.498 -2.508 -3.702 803 HA3 GLY 103 HA2 GLY 103 -6.566 -2.667 -5.070 804 H LEU 104 H LEU 104 -3.679 -2.049 -4.634 805 HA LEU 104 HA LEU 104 -3.665 0.545 -6.002 806 HB2 LEU 104 HB2 LEU 104 -1.261 0.714 -5.143 807 HB3 LEU 104 HB3 LEU 104 -2.582 1.064 -4.057 808 HG LEU 104 HG LEU 104 -2.280 -1.115 -2.972 809 HD11 LEU 104 HD11 LEU 104 0.075 -1.423 -4.828 810 HD12 LEU 104 HD12 LEU 104 -0.318 -2.475 -3.468 811 HD13 LEU 104 HD13 LEU 104 -1.398 -2.390 -4.858 812 HD21 LEU 104 HD21 LEU 104 -0.122 -0.604 -1.932 813 HD22 LEU 104 HD22 LEU 104 0.225 0.535 -3.237 814 HD23 LEU 104 HD23 LEU 104 -1.118 0.839 -2.129 815 H LYS 105 H LYS 105 -2.526 0.781 -7.890 816 HA LYS 105 HA LYS 105 -1.564 -1.811 -8.891 817 HB2 LYS 105 HB2 LYS 105 -3.246 -0.308 -10.120 818 HB3 LYS 105 HB3 LYS 105 -1.888 0.755 -10.433 819 HG2 LYS 105 HG2 LYS 105 -1.157 -1.854 -11.256 820 HG3 LYS 105 HG3 LYS 105 -2.759 -1.491 -11.905 821 HD2 LYS 105 HD2 LYS 105 -1.509 0.849 -12.354 822 HD3 LYS 105 HD3 LYS 105 -0.148 -0.266 -12.481 823 HE2 LYS 105 HE2 LYS 105 -2.739 -0.507 -14.018 824 HE3 LYS 105 HE3 LYS 105 -1.257 0.198 -14.654 825 HZ1 LYS 105 HZ1 LYS 105 -1.532 -2.092 -15.353 826 HZ2 LYS 105 HZ2 LYS 105 -1.576 -2.612 -13.742 827 HZ3 LYS 105 HZ3 LYS 105 -0.156 -1.927 -14.378 828 H LYS 106 H LYS 106 0.385 -2.055 -7.989 829 HA LYS 106 HA LYS 106 2.200 0.151 -7.863 830 HB2 LYS 106 HB2 LYS 106 3.741 -1.299 -6.774 831 HB3 LYS 106 HB3 LYS 106 2.147 -1.670 -6.140 832 HG2 LYS 106 HG2 LYS 106 3.005 -3.758 -6.432 833 HG3 LYS 106 HG3 LYS 106 2.172 -3.529 -7.969 834 HD2 LYS 106 HD2 LYS 106 4.370 -2.717 -8.888 835 HD3 LYS 106 HD3 LYS 106 5.109 -3.278 -7.392 836 HE2 LYS 106 HE2 LYS 106 5.413 -4.964 -9.049 837 HE3 LYS 106 HE3 LYS 106 4.226 -5.567 -7.901 838 HZ1 LYS 106 HZ1 LYS 106 3.657 -5.972 -10.258 839 HZ2 LYS 106 HZ2 LYS 106 3.536 -4.302 -10.494 840 HZ3 LYS 106 HZ3 LYS 106 2.476 -5.082 -9.424 841 H ASN 107 H ASN 107 1.546 -2.482 -10.029 842 HA ASN 107 HA ASN 107 4.029 -2.186 -11.386 843 HB2 ASN 107 HB2 ASN 107 2.834 -3.375 -13.275 844 HB3 ASN 107 HB3 ASN 107 2.868 -4.224 -11.730 845 HD21 ASN 107 HD21 ASN 107 1.059 -4.405 -14.084 846 HD22 ASN 107 HD22 ASN 107 -0.531 -4.237 -13.412 847 H GLY 108 H GLY 108 1.292 -0.223 -11.153 848 HA2 GLY 108 HA3 GLY 108 2.462 1.491 -13.261 849 HA3 GLY 108 HA2 GLY 108 0.732 1.458 -12.939 850 H SER 109 H SER 109 0.019 2.037 -10.935 851 HA SER 109 HA SER 109 1.404 3.878 -9.273 852 HB2 SER 109 HB2 SER 109 -0.076 5.812 -9.929 853 HB3 SER 109 HB3 SER 109 1.079 5.368 -11.184 854 HG SER 109 HG SER 109 -0.990 5.671 -12.070 855 H CYS 110 H CYS 110 -0.025 4.319 -7.419 856 HA CYS 110 HA CYS 110 -1.925 2.157 -7.234 857 HB2 CYS 110 HB2 CYS 110 -0.873 4.115 -5.233 858 HB3 CYS 110 HB3 CYS 110 -1.798 2.669 -4.839 859 HG CYS 110 HG CYS 110 1.442 3.038 -5.445 860 H LYS 111 H LYS 111 -3.962 2.533 -7.854 861 HA LYS 111 HA LYS 111 -5.289 4.961 -6.923 862 HB2 LYS 111 HB2 LYS 111 -6.679 4.992 -8.954 863 HB3 LYS 111 HB3 LYS 111 -4.983 5.214 -9.336 864 HG2 LYS 111 HG2 LYS 111 -6.397 2.568 -9.602 865 HG3 LYS 111 HG3 LYS 111 -6.293 3.749 -10.904 866 HD2 LYS 111 HD2 LYS 111 -3.760 3.628 -10.583 867 HD3 LYS 111 HD3 LYS 111 -4.064 2.191 -9.604 868 HE2 LYS 111 HE2 LYS 111 -4.722 2.618 -12.512 869 HE3 LYS 111 HE3 LYS 111 -3.579 1.467 -11.822 870 HZ1 LYS 111 HZ1 LYS 111 -6.531 1.386 -11.790 871 HZ2 LYS 111 HZ2 LYS 111 -5.631 0.520 -10.645 872 HZ3 LYS 111 HZ3 LYS 111 -5.441 0.186 -12.293 873 H ARG 112 H ARG 112 -6.805 4.278 -5.378 874 HA ARG 112 HA ARG 112 -8.173 1.787 -6.107 875 HB2 ARG 112 HB2 ARG 112 -7.749 1.971 -3.242 876 HB3 ARG 112 HB3 ARG 112 -7.408 0.642 -4.341 877 HG2 ARG 112 HG2 ARG 112 -5.244 1.600 -4.909 878 HG3 ARG 112 HG3 ARG 112 -5.605 3.029 -3.926 879 HD2 ARG 112 HD2 ARG 112 -5.869 1.378 -1.973 880 HD3 ARG 112 HD3 ARG 112 -5.050 0.220 -3.018 881 HE ARG 112 HE ARG 112 -3.438 2.417 -3.055 882 HH11 ARG 112 HH12 ARG 112 -4.680 0.304 -0.570 883 HH12 ARG 112 HH11 ARG 112 -3.419 0.667 0.561 884 HH21 ARG 112 HH22 ARG 112 -1.759 2.908 -1.570 885 HH22 ARG 112 HH21 ARG 112 -1.753 2.157 -0.009 886 H GLY 113 H GLY 113 -9.856 3.670 -6.616 887 HA2 GLY 113 HA3 GLY 113 -11.660 3.329 -4.313 888 HA3 GLY 113 HA2 GLY 113 -11.833 4.612 -5.505 889 HA PRO 114 HA PRO 114 -14.789 2.068 -7.411 890 HB2 PRO 114 HB2 PRO 114 -14.795 3.621 -9.799 891 HB3 PRO 114 HB3 PRO 114 -15.832 3.807 -8.386 892 HG2 PRO 114 HG2 PRO 114 -13.912 5.631 -9.214 893 HG3 PRO 114 HG3 PRO 114 -14.616 5.549 -7.591 894 HD2 PRO 114 HD2 PRO 114 -11.999 4.501 -8.579 895 HD3 PRO 114 HD3 PRO 114 -12.405 5.237 -7.013 896 H ARG 115 H ARG 115 -11.681 1.772 -8.384 897 HA ARG 115 HA ARG 115 -12.412 0.032 -10.628 898 HB2 ARG 115 HB2 ARG 115 -9.684 1.152 -9.925 899 HB3 ARG 115 HB3 ARG 115 -10.077 0.183 -11.339 900 HG2 ARG 115 HG2 ARG 115 -11.146 2.936 -10.749 901 HG3 ARG 115 HG3 ARG 115 -9.850 2.550 -11.884 902 HD2 ARG 115 HD2 ARG 115 -12.677 1.518 -12.071 903 HD3 ARG 115 HD3 ARG 115 -12.047 2.895 -12.971 904 HE ARG 115 HE ARG 115 -10.840 0.227 -13.260 905 HH11 ARG 115 HH12 ARG 115 -12.478 3.003 -14.632 906 HH12 ARG 115 HH11 ARG 115 -12.200 2.505 -16.279 907 HH21 ARG 115 HH22 ARG 115 -10.498 -0.446 -15.408 908 HH22 ARG 115 HH21 ARG 115 -11.082 0.543 -16.713 909 H THR 116 H THR 116 -11.689 0.226 -7.405 910 HA THR 116 HA THR 116 -10.334 -2.343 -7.383 911 HB THR 116 HB THR 116 -9.886 -1.612 -4.938 912 HG1 THR 116 HG1 THR 116 -10.793 0.283 -4.558 913 HG21 THR 116 HG21 THR 116 -7.917 -0.330 -5.793 914 HG22 THR 116 HG22 THR 116 -8.658 -0.364 -7.392 915 HG23 THR 116 HG23 THR 116 -8.179 -1.870 -6.609 916 H HIS 117 H HIS 117 -11.058 -4.006 -6.445 917 HA HIS 117 HA HIS 117 -13.080 -5.143 -5.377 918 HB2 HIS 117 HB2 HIS 117 -15.145 -4.887 -6.711 919 HB3 HIS 117 HB3 HIS 117 -14.718 -3.330 -6.025 920 HD1 HIS 117 HD1 HIS 117 -14.624 -1.409 -7.610 921 HD2 HIS 117 HD2 HIS 117 -14.551 -5.079 -9.569 922 HE1 HIS 117 HE1 HIS 117 -14.815 -0.883 -10.065 923 HE2 HIS 117 HE2 HIS 117 -14.680 -3.109 -11.236 924 H TYR 118 H TYR 118 -14.000 -6.885 -7.582 925 HA TYR 118 HA TYR 118 -11.310 -7.175 -8.689 926 HB2 TYR 118 HB2 TYR 118 -12.707 -9.207 -8.083 927 HB3 TYR 118 HB3 TYR 118 -13.729 -8.827 -9.468 928 HD1 TYR 118 HD1 TYR 118 -10.306 -9.828 -8.458 929 HD2 TYR 118 HD2 TYR 118 -13.044 -9.352 -11.678 930 HE1 TYR 118 HE1 TYR 118 -8.790 -11.089 -9.925 931 HE2 TYR 118 HE2 TYR 118 -11.535 -10.608 -13.156 932 HH TYR 118 HH TYR 118 -8.898 -12.420 -11.984 933 H GLY 119 H GLY 119 -11.445 -5.096 -9.499 934 HA2 GLY 119 HA3 GLY 119 -12.440 -5.004 -12.255 935 HA3 GLY 119 HA2 GLY 119 -11.993 -3.584 -11.295 936 H GLN 120 H GLN 120 -9.796 -4.699 -10.089 937 HA GLN 120 HA GLN 120 -7.801 -4.756 -12.243 938 HB2 GLN 120 HB2 GLN 120 -8.086 -2.936 -9.854 939 HB3 GLN 120 HB3 GLN 120 -6.487 -3.278 -10.517 940 HG2 GLN 120 HG2 GLN 120 -8.738 -2.218 -12.200 941 HG3 GLN 120 HG3 GLN 120 -7.680 -1.160 -11.271 942 HE21 GLN 120 HE21 GLN 120 -7.946 -3.263 -14.003 943 HE22 GLN 120 HE22 GLN 120 -6.432 -2.851 -14.734 944 H LYS 121 H LYS 121 -5.913 -5.931 -11.744 945 HA LYS 121 HA LYS 121 -6.073 -7.805 -9.548 946 HB2 LYS 121 HB2 LYS 121 -3.693 -7.328 -11.358 947 HB3 LYS 121 HB3 LYS 121 -4.053 -8.766 -10.416 948 HG2 LYS 121 HG2 LYS 121 -5.796 -7.812 -12.669 949 HG3 LYS 121 HG3 LYS 121 -4.464 -8.947 -12.885 950 HD2 LYS 121 HD2 LYS 121 -6.763 -9.406 -10.983 951 HD3 LYS 121 HD3 LYS 121 -6.735 -9.998 -12.646 952 HE2 LYS 121 HE2 LYS 121 -4.647 -11.222 -12.132 953 HE3 LYS 121 HE3 LYS 121 -4.773 -10.686 -10.459 954 HZ1 LYS 121 HZ1 LYS 121 -5.630 -12.902 -10.659 955 HZ2 LYS 121 HZ2 LYS 121 -6.681 -12.448 -11.904 956 HZ3 LYS 121 HZ3 LYS 121 -6.926 -11.861 -10.336 957 H ALA 122 H ALA 122 -5.513 -4.714 -9.566 958 HA ALA 122 HA ALA 122 -3.200 -4.320 -7.994 959 HB1 ALA 122 HB1 ALA 122 -5.736 -2.693 -8.197 960 HB2 ALA 122 HB2 ALA 122 -4.212 -2.139 -7.503 961 HB3 ALA 122 HB3 ALA 122 -4.311 -2.523 -9.222 962 H ILE 123 H ILE 123 -6.050 -5.893 -7.372 963 HA ILE 123 HA ILE 123 -6.186 -5.337 -4.527 964 HB ILE 123 HB ILE 123 -7.726 -7.371 -6.165 965 HG12 ILE 123 HG12 ILE 123 -7.978 -5.043 -7.021 966 HG13 ILE 123 HG13 ILE 123 -9.477 -5.733 -6.409 967 HG21 ILE 123 HG21 ILE 123 -8.409 -6.071 -3.524 968 HG22 ILE 123 HG22 ILE 123 -9.382 -7.263 -4.384 969 HG23 ILE 123 HG23 ILE 123 -7.812 -7.721 -3.722 970 HD11 ILE 123 HD11 ILE 123 -9.215 -4.482 -4.337 971 HD12 ILE 123 HD12 ILE 123 -7.705 -3.799 -4.940 972 HD13 ILE 123 HD13 ILE 123 -9.227 -3.414 -5.740 973 H LEU 124 H LEU 124 -4.236 -7.193 -6.476 974 HA LEU 124 HA LEU 124 -4.001 -9.414 -4.559 975 HB2 LEU 124 HB2 LEU 124 -2.673 -8.994 -7.233 976 HB3 LEU 124 HB3 LEU 124 -2.453 -10.403 -6.214 977 HG LEU 124 HG LEU 124 -4.992 -9.553 -7.599 978 HD11 LEU 124 HD11 LEU 124 -3.338 -10.603 -9.038 979 HD12 LEU 124 HD12 LEU 124 -3.204 -11.958 -7.915 980 HD13 LEU 124 HD13 LEU 124 -4.716 -11.674 -8.779 981 HD21 LEU 124 HD21 LEU 124 -5.985 -11.588 -6.673 982 HD22 LEU 124 HD22 LEU 124 -4.520 -11.879 -5.735 983 HD23 LEU 124 HD23 LEU 124 -5.517 -10.463 -5.397 984 H PHE 125 H PHE 125 -2.966 -8.547 -2.801 985 HA PHE 125 HA PHE 125 -0.512 -7.025 -3.252 986 HB2 PHE 125 HB2 PHE 125 -2.040 -7.412 -0.686 987 HB3 PHE 125 HB3 PHE 125 -0.683 -6.338 -0.954 988 HD1 PHE 125 HD1 PHE 125 -4.211 -6.930 -1.795 989 HD2 PHE 125 HD2 PHE 125 -0.976 -4.172 -1.793 990 HE1 PHE 125 HE1 PHE 125 -5.755 -5.124 -2.416 991 HE2 PHE 125 HE2 PHE 125 -2.519 -2.359 -2.403 992 HZ PHE 125 HZ PHE 125 -4.921 -2.796 -2.555 993 H LEU 126 H LEU 126 1.373 -7.499 -2.303 994 HA LEU 126 HA LEU 126 1.575 -9.814 -0.548 995 HB2 LEU 126 HB2 LEU 126 3.395 -9.204 -2.889 996 HB3 LEU 126 HB3 LEU 126 3.792 -10.340 -1.615 997 HG LEU 126 HG LEU 126 1.452 -10.613 -3.506 998 HD11 LEU 126 HD11 LEU 126 3.591 -10.888 -4.648 999 HD12 LEU 126 HD12 LEU 126 4.089 -12.074 -3.442 1000 HD13 LEU 126 HD13 LEU 126 2.733 -12.422 -4.515 1001 HD21 LEU 126 HD21 LEU 126 2.576 -12.503 -1.443 1002 HD22 LEU 126 HD22 LEU 126 1.041 -11.640 -1.337 1003 HD23 LEU 126 HD23 LEU 126 1.276 -12.869 -2.579 1004 HA PRO 127 HA PRO 127 3.831 -6.457 1.344 1005 HB2 PRO 127 HB2 PRO 127 3.186 -7.150 3.890 1006 HB3 PRO 127 HB3 PRO 127 2.038 -6.373 2.798 1007 HG2 PRO 127 HG2 PRO 127 2.014 -9.091 3.834 1008 HG3 PRO 127 HG3 PRO 127 0.754 -8.235 2.935 1009 HD2 PRO 127 HD2 PRO 127 2.774 -10.140 1.962 1010 HD3 PRO 127 HD3 PRO 127 1.270 -9.598 1.183 1011 H LEU 128 H LEU 128 5.968 -6.817 1.113 1012 HA LEU 128 HA LEU 128 7.162 -9.008 2.686 1013 HB2 LEU 128 HB2 LEU 128 8.101 -7.871 0.046 1014 HB3 LEU 128 HB3 LEU 128 8.917 -9.127 0.957 1015 HG LEU 128 HG LEU 128 6.164 -9.376 -0.260 1016 HD11 LEU 128 HD11 LEU 128 8.804 -10.550 -1.128 1017 HD12 LEU 128 HD12 LEU 128 7.230 -10.896 -1.845 1018 HD13 LEU 128 HD13 LEU 128 7.913 -9.273 -1.956 1019 HD21 LEU 128 HD21 LEU 128 7.920 -11.422 1.095 1020 HD22 LEU 128 HD22 LEU 128 6.440 -10.727 1.755 1021 HD23 LEU 128 HD23 LEU 128 6.371 -11.742 0.314 1022 HA PRO 129 HA PRO 129 9.355 -5.522 4.411 1023 HB2 PRO 129 HB2 PRO 129 10.356 -6.798 6.562 1024 HB3 PRO 129 HB3 PRO 129 8.656 -6.318 6.457 1025 HG2 PRO 129 HG2 PRO 129 9.893 -9.002 6.168 1026 HG3 PRO 129 HG3 PRO 129 8.290 -8.562 6.774 1027 HD2 PRO 129 HD2 PRO 129 8.916 -9.531 4.201 1028 HD3 PRO 129 HD3 PRO 129 7.371 -8.833 4.721 1029 H VAL 130 H VAL 130 11.628 -5.026 4.930 1030 HA VAL 130 HA VAL 130 13.247 -5.784 2.782 1031 HB VAL 130 HB VAL 130 14.338 -4.670 5.347 1032 HG11 VAL 130 HG11 VAL 130 16.009 -5.307 3.719 1033 HG12 VAL 130 HG12 VAL 130 15.197 -4.343 2.486 1034 HG13 VAL 130 HG13 VAL 130 15.939 -3.550 3.875 1035 HG21 VAL 130 HG21 VAL 130 12.362 -3.372 4.730 1036 HG22 VAL 130 HG22 VAL 130 13.837 -2.433 4.491 1037 HG23 VAL 130 HG23 VAL 130 13.014 -3.152 3.105 1038 H SER 131 H SER 131 15.002 -7.041 2.563 1039 HA SER 131 HA SER 131 15.049 -9.384 4.314 1040 HB2 SER 131 HB2 SER 131 16.319 -8.978 1.592 1041 HB3 SER 131 HB3 SER 131 16.108 -10.511 2.440 1042 HG SER 131 HG SER 131 14.404 -10.447 1.093 1043 H SER 132 H SER 132 17.163 -10.352 4.854 1044 HA SER 132 HA SER 132 19.043 -8.275 5.632 1045 HB2 SER 132 HB2 SER 132 19.110 -11.241 6.249 1046 HB3 SER 132 HB3 SER 132 20.044 -9.977 7.046 1047 HG SER 132 HG SER 132 18.050 -10.747 8.127 1048 H ASP 133 H ASP 133 20.084 -7.730 3.761 1049 HA ASP 133 HA ASP 133 21.718 -9.850 2.528 1050 HB2 ASP 133 HB2 ASP 133 20.036 -8.963 0.960 1051 HB3 ASP 133 HB3 ASP 133 20.664 -7.337 1.211 Start of MODEL 16 1 H1 TYR 1 H1 TYR 1 15.404 -7.941 6.370 2 H2 TYR 1 H2 TYR 1 15.230 -8.750 7.849 3 H3 TYR 1 H3 TYR 1 16.728 -8.742 7.065 4 HA TYR 1 HA TYR 1 16.669 -7.227 8.929 5 HB2 TYR 1 HB2 TYR 1 18.121 -6.767 6.958 6 HB3 TYR 1 HB3 TYR 1 16.812 -5.848 6.227 7 HD1 TYR 1 HD1 TYR 1 18.886 -5.917 9.340 8 HD2 TYR 1 HD2 TYR 1 16.794 -3.545 6.497 9 HE1 TYR 1 HE1 TYR 1 19.702 -3.877 10.445 10 HE2 TYR 1 HE2 TYR 1 17.604 -1.502 7.592 11 HH TYR 1 HH TYR 1 20.102 -1.498 9.871 12 H LYS 2 H LYS 2 13.996 -7.779 8.876 13 HA LYS 2 HA LYS 2 12.464 -5.848 7.469 14 HB2 LYS 2 HB2 LYS 2 11.504 -7.694 9.655 15 HB3 LYS 2 HB3 LYS 2 10.534 -6.937 8.403 16 HG2 LYS 2 HG2 LYS 2 11.825 -8.258 6.716 17 HG3 LYS 2 HG3 LYS 2 12.571 -9.122 8.064 18 HD2 LYS 2 HD2 LYS 2 10.220 -9.653 8.843 19 HD3 LYS 2 HD3 LYS 2 9.666 -9.044 7.282 20 HE2 LYS 2 HE2 LYS 2 9.845 -11.402 7.083 21 HE3 LYS 2 HE3 LYS 2 11.204 -10.704 6.202 22 HZ1 LYS 2 HZ1 LYS 2 12.691 -11.339 7.855 23 HZ2 LYS 2 HZ2 LYS 2 11.654 -12.672 7.737 24 HZ3 LYS 2 HZ3 LYS 2 11.479 -11.567 9.015 25 H LYS 3 H LYS 3 11.652 -4.028 8.053 26 HA LYS 3 HA LYS 3 10.618 -3.558 10.636 27 HB2 LYS 3 HB2 LYS 3 13.010 -2.841 10.962 28 HB3 LYS 3 HB3 LYS 3 12.771 -1.642 9.701 29 HG2 LYS 3 HG2 LYS 3 12.566 -0.529 11.778 30 HG3 LYS 3 HG3 LYS 3 10.943 -0.664 11.102 31 HD2 LYS 3 HD2 LYS 3 10.444 -2.525 12.556 32 HD3 LYS 3 HD3 LYS 3 12.104 -2.547 13.151 33 HE2 LYS 3 HE2 LYS 3 10.743 -1.463 14.789 34 HE3 LYS 3 HE3 LYS 3 11.761 -0.243 14.024 35 HZ1 LYS 3 HZ1 LYS 3 9.778 0.207 12.543 36 HZ2 LYS 3 HZ2 LYS 3 9.634 0.693 14.159 37 HZ3 LYS 3 HZ3 LYS 3 8.865 -0.721 13.631 38 HA PRO 4 HA PRO 4 8.954 -0.759 7.236 39 HB2 PRO 4 HB2 PRO 4 10.712 -0.205 5.117 40 HB3 PRO 4 HB3 PRO 4 10.294 0.888 6.436 41 HG2 PRO 4 HG2 PRO 4 12.814 -0.253 5.943 42 HG3 PRO 4 HG3 PRO 4 12.312 0.601 7.411 43 HD2 PRO 4 HD2 PRO 4 12.482 -2.321 6.879 44 HD3 PRO 4 HD3 PRO 4 12.738 -1.427 8.392 45 H LYS 5 H LYS 5 7.634 -1.613 5.736 46 HA LYS 5 HA LYS 5 8.492 -4.079 4.424 47 HB2 LYS 5 HB2 LYS 5 6.270 -4.709 4.275 48 HB3 LYS 5 HB3 LYS 5 6.274 -3.781 5.767 49 HG2 LYS 5 HG2 LYS 5 5.290 -1.896 4.691 50 HG3 LYS 5 HG3 LYS 5 5.496 -2.628 3.098 51 HD2 LYS 5 HD2 LYS 5 3.982 -4.476 3.844 52 HD3 LYS 5 HD3 LYS 5 3.676 -3.551 5.315 53 HE2 LYS 5 HE2 LYS 5 1.891 -3.140 3.772 54 HE3 LYS 5 HE3 LYS 5 2.866 -1.678 3.900 55 HZ1 LYS 5 HZ1 LYS 5 2.290 -2.152 1.612 56 HZ2 LYS 5 HZ2 LYS 5 3.016 -3.675 1.708 57 HZ3 LYS 5 HZ3 LYS 5 3.964 -2.279 1.828 58 H LEU 6 H LEU 6 7.679 -4.457 2.262 59 HA LEU 6 HA LEU 6 8.093 -2.151 0.490 60 HB2 LEU 6 HB2 LEU 6 9.658 -3.874 -0.023 61 HB3 LEU 6 HB3 LEU 6 8.436 -5.127 0.107 62 HG LEU 6 HG LEU 6 7.335 -3.891 -1.910 63 HD11 LEU 6 HD11 LEU 6 10.182 -2.963 -2.127 64 HD12 LEU 6 HD12 LEU 6 8.974 -2.861 -3.408 65 HD13 LEU 6 HD13 LEU 6 8.750 -1.958 -1.910 66 HD21 LEU 6 HD21 LEU 6 8.179 -6.161 -2.020 67 HD22 LEU 6 HD22 LEU 6 8.589 -5.268 -3.489 68 HD23 LEU 6 HD23 LEU 6 9.822 -5.558 -2.253 69 H LEU 7 H LEU 7 6.666 -1.815 -1.253 70 HA LEU 7 HA LEU 7 4.067 -3.119 -0.975 71 HB2 LEU 7 HB2 LEU 7 4.126 -0.668 -1.346 72 HB3 LEU 7 HB3 LEU 7 4.903 -0.939 -2.895 73 HG LEU 7 HG LEU 7 2.343 -0.505 -2.843 74 HD11 LEU 7 HD11 LEU 7 3.477 -1.135 -4.881 75 HD12 LEU 7 HD12 LEU 7 3.439 -2.833 -4.400 76 HD13 LEU 7 HD13 LEU 7 1.935 -1.978 -4.745 77 HD21 LEU 7 HD21 LEU 7 0.993 -2.530 -2.544 78 HD22 LEU 7 HD22 LEU 7 2.437 -3.416 -2.053 79 HD23 LEU 7 HD23 LEU 7 1.836 -2.086 -1.062 80 H TYR 8 H TYR 8 4.195 -5.063 -1.698 81 HA TYR 8 HA TYR 8 4.878 -5.473 -4.509 82 HB2 TYR 8 HB2 TYR 8 5.522 -7.145 -2.681 83 HB3 TYR 8 HB3 TYR 8 3.810 -7.536 -2.574 84 HD1 TYR 8 HD1 TYR 8 2.658 -8.517 -4.594 85 HD2 TYR 8 HD2 TYR 8 6.880 -8.046 -4.382 86 HE1 TYR 8 HE1 TYR 8 2.924 -10.135 -6.425 87 HE2 TYR 8 HE2 TYR 8 7.157 -9.660 -6.216 88 HH TYR 8 HH TYR 8 5.811 -11.602 -7.172 89 H CYS 9 H CYS 9 3.407 -5.208 -5.911 90 HA CYS 9 HA CYS 9 0.584 -5.784 -5.438 91 HB2 CYS 9 HB2 CYS 9 0.770 -3.390 -5.766 92 HB3 CYS 9 HB3 CYS 9 1.752 -3.625 -7.205 93 HG CYS 9 HG CYS 9 -1.492 -3.340 -6.967 94 H SER 10 H SER 10 -0.440 -6.502 -7.739 95 HA SER 10 HA SER 10 1.082 -8.919 -7.912 96 HB2 SER 10 HB2 SER 10 -0.819 -9.568 -9.516 97 HB3 SER 10 HB3 SER 10 -1.292 -9.190 -7.858 98 HG SER 10 HG SER 10 -2.548 -7.745 -8.695 99 H ASN 11 H ASN 11 1.582 -9.840 -10.284 100 HA ASN 11 HA ASN 11 3.754 -7.978 -10.054 101 HB2 ASN 11 HB2 ASN 11 3.991 -10.437 -9.700 102 HB3 ASN 11 HB3 ASN 11 3.856 -10.638 -11.446 103 HD21 ASN 11 HD21 ASN 11 5.965 -11.465 -11.572 104 HD22 ASN 11 HD22 ASN 11 7.348 -10.430 -11.437 105 H GLY 12 H GLY 12 3.800 -6.333 -11.288 106 HA2 GLY 12 HA3 GLY 12 4.559 -6.954 -14.079 107 HA3 GLY 12 HA2 GLY 12 3.826 -5.416 -13.619 108 H GLY 13 H GLY 13 6.064 -7.170 -11.661 109 HA2 GLY 13 HA3 GLY 13 7.762 -6.299 -10.349 110 HA3 GLY 13 HA2 GLY 13 8.540 -6.342 -11.916 111 H HIS 14 H HIS 14 6.612 -4.288 -9.823 112 HA HIS 14 HA HIS 14 8.497 -2.157 -10.260 113 HB2 HIS 14 HB2 HIS 14 5.506 -1.966 -10.540 114 HB3 HIS 14 HB3 HIS 14 6.419 -0.587 -9.937 115 HD1 HIS 14 HD1 HIS 14 5.822 -2.598 -13.059 116 HD2 HIS 14 HD2 HIS 14 7.995 0.732 -11.840 117 HE1 HIS 14 HE1 HIS 14 6.641 -1.514 -15.168 118 HE2 HIS 14 HE2 HIS 14 7.918 0.525 -14.418 119 H PHE 15 H PHE 15 8.333 -0.661 -8.296 120 HA PHE 15 HA PHE 15 7.154 -2.014 -5.989 121 HB2 PHE 15 HB2 PHE 15 9.853 -0.629 -6.021 122 HB3 PHE 15 HB3 PHE 15 9.080 -1.343 -4.612 123 HD1 PHE 15 HD2 PHE 15 8.309 -3.918 -5.150 124 HD2 PHE 15 HD1 PHE 15 11.582 -1.829 -6.877 125 HE1 PHE 15 HE2 PHE 15 9.417 -6.060 -5.638 126 HE2 PHE 15 HE1 PHE 15 12.697 -3.961 -7.366 127 HZ PHE 15 HZ PHE 15 11.615 -6.085 -6.743 128 H LEU 16 H LEU 16 6.054 -0.597 -4.638 129 HA LEU 16 HA LEU 16 5.497 1.954 -5.840 130 HB2 LEU 16 HB2 LEU 16 4.008 0.203 -4.476 131 HB3 LEU 16 HB3 LEU 16 4.480 1.229 -3.139 132 HG LEU 16 HG LEU 16 3.544 3.175 -4.441 133 HD11 LEU 16 HD11 LEU 16 3.587 2.126 -6.646 134 HD12 LEU 16 HD12 LEU 16 2.385 0.952 -6.112 135 HD13 LEU 16 HD13 LEU 16 1.962 2.661 -6.219 136 HD21 LEU 16 HD21 LEU 16 1.230 2.636 -3.853 137 HD22 LEU 16 HD22 LEU 16 1.675 0.940 -3.666 138 HD23 LEU 16 HD23 LEU 16 2.354 2.155 -2.582 139 H ARG 17 H ARG 17 6.574 3.711 -5.471 140 HA ARG 17 HA ARG 17 8.176 3.990 -3.006 141 HB2 ARG 17 HB2 ARG 17 10.085 4.644 -4.273 142 HB3 ARG 17 HB3 ARG 17 9.472 3.197 -5.069 143 HG2 ARG 17 HG2 ARG 17 8.503 4.443 -6.809 144 HG3 ARG 17 HG3 ARG 17 8.755 5.960 -5.954 145 HD2 ARG 17 HD2 ARG 17 11.242 5.462 -6.128 146 HD3 ARG 17 HD3 ARG 17 10.794 4.207 -7.291 147 HE ARG 17 HE ARG 17 9.508 6.594 -8.007 148 HH11 ARG 17 HH12 ARG 17 12.753 5.201 -8.028 149 HH12 ARG 17 HH11 ARG 17 13.308 6.285 -9.267 150 HH21 ARG 17 HH22 ARG 17 10.243 7.940 -9.629 151 HH22 ARG 17 HH21 ARG 17 11.879 7.822 -10.196 152 H ILE 18 H ILE 18 8.619 6.297 -2.487 153 HA ILE 18 HA ILE 18 6.376 7.885 -3.398 154 HB ILE 18 HB ILE 18 6.897 9.425 -1.639 155 HG12 ILE 18 HG12 ILE 18 9.220 7.725 -0.774 156 HG13 ILE 18 HG13 ILE 18 9.438 9.041 -1.922 157 HG21 ILE 18 HG21 ILE 18 5.594 7.494 -1.017 158 HG22 ILE 18 HG22 ILE 18 7.062 6.566 -0.707 159 HG23 ILE 18 HG23 ILE 18 6.656 7.943 0.318 160 HD11 ILE 18 HD11 ILE 18 8.347 9.300 0.870 161 HD12 ILE 18 HD12 ILE 18 9.968 9.746 0.336 162 HD13 ILE 18 HD13 ILE 18 8.566 10.619 -0.280 163 H LEU 19 H LEU 19 6.479 9.565 -4.631 164 HA LEU 19 HA LEU 19 9.088 10.655 -5.434 165 HB2 LEU 19 HB2 LEU 19 7.373 9.668 -7.126 166 HB3 LEU 19 HB3 LEU 19 6.445 11.117 -6.817 167 HG LEU 19 HG LEU 19 9.293 11.336 -7.733 168 HD11 LEU 19 HD11 LEU 19 6.877 10.906 -9.488 169 HD12 LEU 19 HD12 LEU 19 8.475 11.397 -10.050 170 HD13 LEU 19 HD13 LEU 19 8.249 9.812 -9.309 171 HD21 LEU 19 HD21 LEU 19 8.489 13.423 -8.690 172 HD22 LEU 19 HD22 LEU 19 6.851 13.056 -8.148 173 HD23 LEU 19 HD23 LEU 19 8.126 13.349 -6.965 174 HA PRO 20 HA PRO 20 8.112 13.982 -2.760 175 HB2 PRO 20 HB2 PRO 20 9.679 15.771 -4.486 176 HB3 PRO 20 HB3 PRO 20 9.996 15.266 -2.822 177 HG2 PRO 20 HG2 PRO 20 11.497 14.363 -4.833 178 HG3 PRO 20 HG3 PRO 20 11.039 13.297 -3.488 179 HD2 PRO 20 HD2 PRO 20 9.838 13.498 -6.235 180 HD3 PRO 20 HD3 PRO 20 10.279 12.047 -5.306 181 H ASP 21 H ASP 21 6.796 13.895 -5.716 182 HA ASP 21 HA ASP 21 5.582 16.551 -5.598 183 HB2 ASP 21 HB2 ASP 21 5.335 14.284 -7.571 184 HB3 ASP 21 HB3 ASP 21 4.239 15.659 -7.598 185 H GLY 22 H GLY 22 5.086 13.419 -4.419 186 HA2 GLY 22 HA3 GLY 22 3.400 13.099 -2.715 187 HA3 GLY 22 HA2 GLY 22 2.337 14.151 -3.639 188 H THR 23 H THR 23 4.281 11.297 -4.524 189 HA THR 23 HA THR 23 1.843 9.931 -5.369 190 HB THR 23 HB THR 23 4.352 9.357 -6.769 191 HG1 THR 23 HG1 THR 23 3.016 11.614 -7.784 192 HG21 THR 23 HG21 THR 23 2.246 8.302 -7.373 193 HG22 THR 23 HG22 THR 23 2.828 9.295 -8.712 194 HG23 THR 23 HG23 THR 23 1.522 9.878 -7.680 195 H VAL 24 H VAL 24 1.860 7.710 -4.803 196 HA VAL 24 HA VAL 24 4.583 6.655 -4.479 197 HB VAL 24 HB VAL 24 3.259 6.602 -2.342 198 HG11 VAL 24 HG11 VAL 24 1.620 4.738 -2.159 199 HG12 VAL 24 HG12 VAL 24 1.089 6.103 -3.146 200 HG13 VAL 24 HG13 VAL 24 1.665 4.627 -3.923 201 HG21 VAL 24 HG21 VAL 24 5.189 5.185 -2.679 202 HG22 VAL 24 HG22 VAL 24 3.946 4.314 -1.780 203 HG23 VAL 24 HG23 VAL 24 4.190 3.980 -3.495 204 H ASP 25 H ASP 25 5.055 5.702 -6.232 205 HA ASP 25 HA ASP 25 3.084 4.021 -7.591 206 HB2 ASP 25 HB2 ASP 25 3.901 4.856 -9.781 207 HB3 ASP 25 HB3 ASP 25 3.157 6.128 -8.822 208 H GLY 26 H GLY 26 3.841 2.319 -8.869 209 HA2 GLY 26 HA3 GLY 26 6.230 1.132 -7.878 210 HA3 GLY 26 HA2 GLY 26 5.300 0.590 -9.249 211 H THR 27 H THR 27 8.127 1.397 -8.402 212 HA THR 27 HA THR 27 9.045 1.803 -11.113 213 HB THR 27 HB THR 27 9.884 3.480 -8.733 214 HG1 THR 27 HG1 THR 27 8.115 4.307 -9.933 215 HG21 THR 27 HG21 THR 27 11.854 2.689 -9.902 216 HG22 THR 27 HG22 THR 27 11.624 4.419 -10.178 217 HG23 THR 27 HG23 THR 27 11.196 3.257 -11.436 218 H ARG 28 H ARG 28 11.157 0.548 -11.312 219 HA ARG 28 HA ARG 28 11.183 -1.200 -8.963 220 HB2 ARG 28 HB2 ARG 28 11.373 -1.931 -11.457 221 HB3 ARG 28 HB3 ARG 28 13.052 -1.452 -11.292 222 HG2 ARG 28 HG2 ARG 28 13.368 -3.062 -9.511 223 HG3 ARG 28 HG3 ARG 28 11.666 -3.526 -9.613 224 HD2 ARG 28 HD2 ARG 28 12.046 -4.174 -11.980 225 HD3 ARG 28 HD3 ARG 28 13.760 -3.836 -11.757 226 HE ARG 28 HE ARG 28 12.359 -5.879 -10.154 227 HH11 ARG 28 HH12 ARG 28 15.034 -4.855 -12.180 228 HH12 ARG 28 HH11 ARG 28 15.847 -6.388 -12.097 229 HH21 ARG 28 HH22 ARG 28 13.441 -7.901 -10.046 230 HH22 ARG 28 HH21 ARG 28 14.942 -8.113 -10.895 231 H ASP 29 H ASP 29 12.075 -0.224 -7.432 232 HA ASP 29 HA ASP 29 14.987 -0.017 -7.443 233 HB2 ASP 29 HB2 ASP 29 13.124 2.057 -6.245 234 HB3 ASP 29 HB3 ASP 29 14.813 1.904 -5.790 235 H ARG 30 H ARG 30 15.418 -1.744 -6.045 236 HA ARG 30 HA ARG 30 14.224 -1.286 -3.411 237 HB2 ARG 30 HB2 ARG 30 13.845 -3.491 -2.918 238 HB3 ARG 30 HB3 ARG 30 13.367 -3.405 -4.602 239 HG2 ARG 30 HG2 ARG 30 16.021 -4.449 -3.630 240 HG3 ARG 30 HG3 ARG 30 14.630 -5.447 -4.054 241 HD2 ARG 30 HD2 ARG 30 14.750 -4.227 -6.332 242 HD3 ARG 30 HD3 ARG 30 16.384 -3.790 -5.830 243 HE ARG 30 HE ARG 30 15.449 -6.583 -6.040 244 HH11 ARG 30 HH12 ARG 30 17.945 -4.146 -6.470 245 HH12 ARG 30 HH11 ARG 30 19.067 -5.258 -7.191 246 HH21 ARG 30 HH22 ARG 30 16.936 -8.026 -7.008 247 HH22 ARG 30 HH21 ARG 30 18.502 -7.439 -7.496 248 H SER 31 H SER 31 16.734 -0.858 -5.113 249 HA SER 31 HA SER 31 18.684 -1.601 -3.060 250 HB2 SER 31 HB2 SER 31 19.236 -0.485 -5.815 251 HB3 SER 31 HB3 SER 31 20.358 -1.326 -4.743 252 HG SER 31 HG SER 31 19.783 -3.012 -5.866 253 H ASP 32 H ASP 32 16.576 0.776 -3.639 254 HA ASP 32 HA ASP 32 18.460 2.909 -2.959 255 HB2 ASP 32 HB2 ASP 32 17.262 2.973 -5.268 256 HB3 ASP 32 HB3 ASP 32 15.815 3.354 -4.342 257 H GLN 33 H GLN 33 16.783 4.776 -2.178 258 HA GLN 33 HA GLN 33 15.692 3.610 0.280 259 HB2 GLN 33 HB2 GLN 33 17.067 6.108 -0.496 260 HB3 GLN 33 HB3 GLN 33 16.033 6.137 0.934 261 HG2 GLN 33 HG2 GLN 33 17.381 4.365 1.925 262 HG3 GLN 33 HG3 GLN 33 18.379 4.300 0.472 263 HE21 GLN 33 HE21 GLN 33 19.142 4.866 3.222 264 HE22 GLN 33 HE22 GLN 33 19.876 6.436 3.208 265 H HIS 34 H HIS 34 13.779 3.358 -1.577 266 HA HIS 34 HA HIS 34 12.087 5.731 -1.144 267 HB2 HIS 34 HB2 HIS 34 12.427 4.158 -3.696 268 HB3 HIS 34 HB3 HIS 34 11.076 5.249 -3.420 269 HD1 HIS 34 HD1 HIS 34 13.944 5.294 -5.290 270 HD2 HIS 34 HD2 HIS 34 12.493 7.904 -2.396 271 HE1 HIS 34 HE1 HIS 34 15.049 7.502 -5.757 272 HE2 HIS 34 HE2 HIS 34 14.274 9.026 -3.903 273 H ILE 35 H ILE 35 12.206 2.235 -1.527 274 HA ILE 35 HA ILE 35 9.332 2.036 -1.337 275 HB ILE 35 HB ILE 35 9.548 -0.259 -1.848 276 HG12 ILE 35 HG12 ILE 35 11.444 -0.790 -0.308 277 HG13 ILE 35 HG13 ILE 35 11.621 -1.504 -1.903 278 HG21 ILE 35 HG21 ILE 35 10.763 -0.185 -3.938 279 HG22 ILE 35 HG22 ILE 35 9.913 1.337 -3.672 280 HG23 ILE 35 HG23 ILE 35 11.656 1.239 -3.396 281 HD11 ILE 35 HD11 ILE 35 13.089 0.865 -0.781 282 HD12 ILE 35 HD12 ILE 35 13.744 -0.714 -1.205 283 HD13 ILE 35 HD13 ILE 35 13.171 0.371 -2.473 284 H GLN 36 H GLN 36 10.888 2.904 1.178 285 HA GLN 36 HA GLN 36 10.340 0.487 2.793 286 HB2 GLN 36 HB2 GLN 36 11.768 1.543 4.546 287 HB3 GLN 36 HB3 GLN 36 12.613 1.133 3.061 288 HG2 GLN 36 HG2 GLN 36 11.556 3.874 3.089 289 HG3 GLN 36 HG3 GLN 36 12.728 3.532 4.376 290 HE21 GLN 36 HE21 GLN 36 12.869 1.789 1.387 291 HE22 GLN 36 HE22 GLN 36 14.321 2.521 0.800 292 H LEU 37 H LEU 37 8.264 0.608 3.399 293 HA LEU 37 HA LEU 37 7.471 3.038 4.844 294 HB2 LEU 37 HB2 LEU 37 5.106 1.979 4.557 295 HB3 LEU 37 HB3 LEU 37 5.833 2.935 3.289 296 HG LEU 37 HG LEU 37 6.089 -0.059 3.250 297 HD11 LEU 37 HD11 LEU 37 4.034 -0.185 1.943 298 HD12 LEU 37 HD12 LEU 37 3.708 0.425 3.566 299 HD13 LEU 37 HD13 LEU 37 3.754 1.538 2.198 300 HD21 LEU 37 HD21 LEU 37 5.944 2.038 1.078 301 HD22 LEU 37 HD22 LEU 37 7.415 1.257 1.660 302 HD23 LEU 37 HD23 LEU 37 6.182 0.307 0.831 303 H GLN 38 H GLN 38 6.605 2.897 6.826 304 HA GLN 38 HA GLN 38 7.410 0.512 8.266 305 HB2 GLN 38 HB2 GLN 38 8.111 2.733 9.047 306 HB3 GLN 38 HB3 GLN 38 6.431 3.201 9.237 307 HG2 GLN 38 HG2 GLN 38 7.574 2.593 11.358 308 HG3 GLN 38 HG3 GLN 38 6.111 1.671 11.024 309 HE21 GLN 38 HE21 GLN 38 6.239 -0.507 10.733 310 HE22 GLN 38 HE22 GLN 38 7.698 -1.422 10.928 311 H LEU 39 H LEU 39 5.981 -1.033 8.385 312 HA LEU 39 HA LEU 39 3.162 -0.422 8.112 313 HB2 LEU 39 HB2 LEU 39 4.217 -2.290 6.809 314 HB3 LEU 39 HB3 LEU 39 4.517 -3.111 8.337 315 HG LEU 39 HG LEU 39 2.077 -3.141 8.783 316 HD11 LEU 39 HD11 LEU 39 0.514 -2.610 7.034 317 HD12 LEU 39 HD12 LEU 39 1.510 -1.193 7.384 318 HD13 LEU 39 HD13 LEU 39 1.829 -2.168 5.946 319 HD21 LEU 39 HD21 LEU 39 3.136 -5.097 7.839 320 HD22 LEU 39 HD22 LEU 39 1.533 -4.882 7.135 321 HD23 LEU 39 HD23 LEU 39 2.969 -4.433 6.214 322 H SER 40 H SER 40 1.965 -0.063 9.837 323 HA SER 40 HA SER 40 2.623 -1.334 12.371 324 HB2 SER 40 HB2 SER 40 0.307 0.486 11.667 325 HB3 SER 40 HB3 SER 40 0.766 -0.034 13.290 326 HG SER 40 HG SER 40 2.931 0.965 12.554 327 H ALA 41 H ALA 41 0.412 -2.270 13.468 328 HA ALA 41 HA ALA 41 0.017 -4.463 11.567 329 HB1 ALA 41 HB1 ALA 41 1.682 -4.954 13.297 330 HB2 ALA 41 HB2 ALA 41 0.447 -4.703 14.533 331 HB3 ALA 41 HB3 ALA 41 0.286 -6.031 13.386 332 H GLU 42 H GLU 42 -1.794 -5.504 11.401 333 HA GLU 42 HA GLU 42 -4.182 -4.341 12.177 334 HB2 GLU 42 HB2 GLU 42 -5.237 -6.247 11.055 335 HB3 GLU 42 HB3 GLU 42 -3.965 -5.552 10.067 336 HG2 GLU 42 HG2 GLU 42 -3.496 -7.956 11.793 337 HG3 GLU 42 HG3 GLU 42 -4.164 -8.093 10.170 338 H SER 43 H SER 43 -4.315 -4.226 14.188 339 HA SER 43 HA SER 43 -4.337 -6.477 15.986 340 HB2 SER 43 HB2 SER 43 -3.743 -4.256 16.850 341 HB3 SER 43 HB3 SER 43 -5.312 -3.628 16.349 342 HG SER 43 HG SER 43 -5.973 -4.220 18.235 343 H VAL 44 H VAL 44 -7.126 -4.377 16.236 344 HA VAL 44 HA VAL 44 -8.774 -6.453 15.068 345 HB VAL 44 HB VAL 44 -9.530 -3.598 15.758 346 HG11 VAL 44 HG11 VAL 44 -11.842 -4.453 15.716 347 HG12 VAL 44 HG12 VAL 44 -11.053 -4.570 14.143 348 HG13 VAL 44 HG13 VAL 44 -11.240 -6.009 15.143 349 HG21 VAL 44 HG21 VAL 44 -10.535 -4.564 17.781 350 HG22 VAL 44 HG22 VAL 44 -9.886 -6.144 17.343 351 HG23 VAL 44 HG23 VAL 44 -8.791 -4.817 17.730 352 H GLY 45 H GLY 45 -8.240 -6.759 12.978 353 HA2 GLY 45 HA3 GLY 45 -7.997 -6.450 10.746 354 HA3 GLY 45 HA2 GLY 45 -9.498 -5.583 10.960 355 H GLU 46 H GLU 46 -6.375 -4.334 12.191 356 HA GLU 46 HA GLU 46 -6.791 -2.290 10.184 357 HB2 GLU 46 HB2 GLU 46 -6.044 -0.642 11.924 358 HB3 GLU 46 HB3 GLU 46 -7.604 -1.394 12.220 359 HG2 GLU 46 HG2 GLU 46 -6.656 -2.863 13.840 360 HG3 GLU 46 HG3 GLU 46 -5.021 -2.356 13.425 361 H VAL 47 H VAL 47 -5.164 -1.965 8.845 362 HA VAL 47 HA VAL 47 -2.450 -2.340 9.930 363 HB VAL 47 HB VAL 47 -1.696 -2.483 7.550 364 HG11 VAL 47 HG11 VAL 47 -1.837 -4.449 8.961 365 HG12 VAL 47 HG12 VAL 47 -3.547 -4.636 8.572 366 HG13 VAL 47 HG13 VAL 47 -2.328 -4.854 7.316 367 HG21 VAL 47 HG21 VAL 47 -3.342 -3.135 5.857 368 HG22 VAL 47 HG22 VAL 47 -4.642 -2.895 7.026 369 HG23 VAL 47 HG23 VAL 47 -3.674 -1.522 6.486 370 H TYR 48 H TYR 48 -0.941 -0.783 9.628 371 HA TYR 48 HA TYR 48 -2.066 1.818 8.765 372 HB2 TYR 48 HB2 TYR 48 -1.786 1.380 11.304 373 HB3 TYR 48 HB3 TYR 48 -0.067 1.569 10.993 374 HD1 TYR 48 HD1 TYR 48 0.848 3.737 10.338 375 HD2 TYR 48 HD2 TYR 48 -3.278 3.283 11.256 376 HE1 TYR 48 HE1 TYR 48 0.623 6.180 10.509 377 HE2 TYR 48 HE2 TYR 48 -3.514 5.722 11.438 378 HH TYR 48 HH TYR 48 -1.185 7.872 10.291 379 H ILE 49 H ILE 49 -0.751 3.163 7.604 380 HA ILE 49 HA ILE 49 1.790 1.975 6.720 381 HB ILE 49 HB ILE 49 -0.024 3.833 5.172 382 HG12 ILE 49 HG12 ILE 49 -0.968 1.563 5.399 383 HG13 ILE 49 HG13 ILE 49 -0.488 1.900 3.739 384 HG21 ILE 49 HG21 ILE 49 2.300 4.181 4.596 385 HG22 ILE 49 HG22 ILE 49 2.537 2.447 4.380 386 HG23 ILE 49 HG23 ILE 49 1.485 3.336 3.279 387 HD11 ILE 49 HD11 ILE 49 0.088 -0.369 4.443 388 HD12 ILE 49 HD12 ILE 49 1.518 0.577 4.029 389 HD13 ILE 49 HD13 ILE 49 1.109 0.293 5.721 390 H LYS 50 H LYS 50 3.440 2.971 7.538 391 HA LYS 50 HA LYS 50 3.304 5.888 7.939 392 HB2 LYS 50 HB2 LYS 50 4.884 3.839 9.513 393 HB3 LYS 50 HB3 LYS 50 4.991 5.578 9.737 394 HG2 LYS 50 HG2 LYS 50 2.526 5.536 10.271 395 HG3 LYS 50 HG3 LYS 50 2.664 3.776 10.323 396 HD2 LYS 50 HD2 LYS 50 2.881 4.660 12.558 397 HD3 LYS 50 HD3 LYS 50 4.436 4.010 12.036 398 HE2 LYS 50 HE2 LYS 50 5.118 6.315 11.398 399 HE3 LYS 50 HE3 LYS 50 3.606 6.907 12.086 400 HZ1 LYS 50 HZ1 LYS 50 4.310 5.953 14.232 401 HZ2 LYS 50 HZ2 LYS 50 5.354 7.163 13.675 402 HZ3 LYS 50 HZ3 LYS 50 5.801 5.533 13.544 403 H SER 51 H SER 51 5.191 7.103 7.517 404 HA SER 51 HA SER 51 7.003 6.028 5.566 405 HB2 SER 51 HB2 SER 51 7.131 8.648 7.093 406 HB3 SER 51 HB3 SER 51 7.991 8.255 5.606 407 HG SER 51 HG SER 51 5.192 8.104 5.632 408 H THR 52 H THR 52 8.834 5.016 6.016 409 HA THR 52 HA THR 52 9.994 5.133 8.632 410 HB THR 52 HB THR 52 11.441 4.233 6.142 411 HG1 THR 52 HG1 THR 52 9.798 2.897 5.875 412 HG21 THR 52 HG21 THR 52 12.459 2.639 7.692 413 HG22 THR 52 HG22 THR 52 11.455 3.264 8.999 414 HG23 THR 52 HG23 THR 52 12.677 4.295 8.256 415 H GLU 53 H GLU 53 12.216 5.619 6.019 416 HA GLU 53 HA GLU 53 12.517 8.403 6.838 417 HB2 GLU 53 HB2 GLU 53 14.441 6.712 6.263 418 HB3 GLU 53 HB3 GLU 53 14.065 7.140 4.600 419 HG2 GLU 53 HG2 GLU 53 15.900 8.474 5.470 420 HG3 GLU 53 HG3 GLU 53 14.501 9.480 5.086 421 H THR 54 H THR 54 11.849 6.488 3.966 422 HA THR 54 HA THR 54 10.602 8.782 2.638 423 HB THR 54 HB THR 54 10.986 7.355 0.548 424 HG1 THR 54 HG1 THR 54 13.094 6.101 1.128 425 HG21 THR 54 HG21 THR 54 13.315 8.534 2.073 426 HG22 THR 54 HG22 THR 54 12.214 9.409 1.007 427 HG23 THR 54 HG23 THR 54 13.300 8.187 0.344 428 H GLY 55 H GLY 55 8.939 7.035 4.480 429 HA2 GLY 55 HA3 GLY 55 8.392 4.785 2.730 430 HA3 GLY 55 HA2 GLY 55 8.001 4.872 4.424 431 H GLN 56 H GLN 56 6.363 7.430 4.014 432 HA GLN 56 HA GLN 56 5.052 7.764 1.715 433 HB2 GLN 56 HB2 GLN 56 4.003 5.291 2.849 434 HB3 GLN 56 HB3 GLN 56 2.762 6.464 2.421 435 HG2 GLN 56 HG2 GLN 56 4.165 6.639 0.208 436 HG3 GLN 56 HG3 GLN 56 4.685 5.022 0.688 437 HE21 GLN 56 HE21 GLN 56 1.981 7.033 -0.102 438 HE22 GLN 56 HE22 GLN 56 0.895 5.756 -0.535 439 H TYR 57 H TYR 57 3.689 9.418 1.734 440 HA TYR 57 HA TYR 57 2.168 9.947 4.178 441 HB2 TYR 57 HB2 TYR 57 3.151 11.997 3.261 442 HB3 TYR 57 HB3 TYR 57 2.441 11.690 1.700 443 HD1 TYR 57 HD1 TYR 57 1.451 12.339 5.234 444 HD2 TYR 57 HD2 TYR 57 0.433 12.688 1.120 445 HE1 TYR 57 HE1 TYR 57 -0.496 13.708 5.837 446 HE2 TYR 57 HE2 TYR 57 -1.522 14.054 1.715 447 HH TYR 57 HH TYR 57 -3.019 14.349 3.739 448 H LEU 58 H LEU 58 1.208 7.811 3.676 449 HA LEU 58 HA LEU 58 -0.180 7.621 1.208 450 HB2 LEU 58 HB2 LEU 58 0.714 5.747 2.939 451 HB3 LEU 58 HB3 LEU 58 -0.995 5.774 3.355 452 HG LEU 58 HG LEU 58 0.089 5.427 0.579 453 HD11 LEU 58 HD11 LEU 58 -0.603 3.072 0.792 454 HD12 LEU 58 HD12 LEU 58 0.662 3.497 1.944 455 HD13 LEU 58 HD13 LEU 58 -1.011 3.355 2.485 456 HD21 LEU 58 HD21 LEU 58 -2.706 5.159 1.675 457 HD22 LEU 58 HD22 LEU 58 -2.115 6.379 0.547 458 HD23 LEU 58 HD23 LEU 58 -2.212 4.690 0.048 459 H ALA 59 H ALA 59 -1.949 8.334 0.729 460 HA ALA 59 HA ALA 59 -3.858 9.206 2.736 461 HB1 ALA 59 HB1 ALA 59 -2.576 10.984 0.652 462 HB2 ALA 59 HB2 ALA 59 -3.922 11.450 1.699 463 HB3 ALA 59 HB3 ALA 59 -2.339 11.088 2.395 464 H MET 60 H MET 60 -5.463 7.881 2.038 465 HA MET 60 HA MET 60 -6.130 7.773 -0.770 466 HB2 MET 60 HB2 MET 60 -7.494 6.841 1.758 467 HB3 MET 60 HB3 MET 60 -8.220 6.625 0.162 468 HG2 MET 60 HG2 MET 60 -6.120 5.368 -0.465 469 HG3 MET 60 HG3 MET 60 -5.700 5.408 1.248 470 HE1 MET 60 HE1 MET 60 -7.493 4.507 3.153 471 HE2 MET 60 HE2 MET 60 -8.828 5.316 2.334 472 HE3 MET 60 HE3 MET 60 -8.947 3.602 2.726 473 H ASP 61 H ASP 61 -7.162 9.388 -1.801 474 HA ASP 61 HA ASP 61 -9.004 11.029 -0.183 475 HB2 ASP 61 HB2 ASP 61 -7.415 12.535 -0.929 476 HB3 ASP 61 HB3 ASP 61 -7.313 11.819 -2.536 477 H THR 62 H THR 62 -10.981 11.158 -0.705 478 HA THR 62 HA THR 62 -12.989 10.678 -1.629 479 HB THR 62 HB THR 62 -11.459 10.143 -4.174 480 HG1 THR 62 HG1 THR 62 -10.987 12.244 -3.585 481 HG21 THR 62 HG21 THR 62 -14.330 10.904 -3.669 482 HG22 THR 62 HG22 THR 62 -13.756 9.329 -4.215 483 HG23 THR 62 HG23 THR 62 -13.588 10.741 -5.261 484 H ASP 63 H ASP 63 -10.317 8.608 -1.986 485 HA ASP 63 HA ASP 63 -10.004 6.564 -1.032 486 HB2 ASP 63 HB2 ASP 63 -12.320 6.890 0.017 487 HB3 ASP 63 HB3 ASP 63 -12.938 5.991 -1.361 488 H GLY 64 H GLY 64 -10.400 7.709 -3.718 489 HA2 GLY 64 HA3 GLY 64 -10.853 5.260 -5.303 490 HA3 GLY 64 HA2 GLY 64 -11.129 6.893 -5.893 491 H LEU 65 H LEU 65 -8.795 8.146 -5.112 492 HA LEU 65 HA LEU 65 -6.759 6.493 -6.437 493 HB2 LEU 65 HB2 LEU 65 -7.247 9.453 -6.732 494 HB3 LEU 65 HB3 LEU 65 -5.732 8.691 -7.158 495 HG LEU 65 HG LEU 65 -6.917 7.279 -8.811 496 HD11 LEU 65 HD11 LEU 65 -9.171 7.949 -9.540 497 HD12 LEU 65 HD12 LEU 65 -9.152 7.261 -7.916 498 HD13 LEU 65 HD13 LEU 65 -9.287 9.008 -8.133 499 HD21 LEU 65 HD21 LEU 65 -5.780 9.322 -9.478 500 HD22 LEU 65 HD22 LEU 65 -7.218 9.044 -10.461 501 HD23 LEU 65 HD23 LEU 65 -7.249 10.249 -9.173 502 H LEU 66 H LEU 66 -4.901 6.173 -5.416 503 HA LEU 66 HA LEU 66 -4.707 7.433 -2.747 504 HB2 LEU 66 HB2 LEU 66 -2.990 5.129 -3.336 505 HB3 LEU 66 HB3 LEU 66 -4.019 5.444 -1.949 506 HG LEU 66 HG LEU 66 -5.182 4.655 -4.587 507 HD11 LEU 66 HD11 LEU 66 -3.736 2.875 -4.284 508 HD12 LEU 66 HD12 LEU 66 -3.932 2.893 -2.521 509 HD13 LEU 66 HD13 LEU 66 -5.243 2.319 -3.552 510 HD21 LEU 66 HD21 LEU 66 -7.030 3.853 -3.259 511 HD22 LEU 66 HD22 LEU 66 -6.167 4.255 -1.770 512 HD23 LEU 66 HD23 LEU 66 -6.690 5.538 -2.862 513 H TYR 67 H TYR 67 -3.218 8.947 -2.446 514 HA TYR 67 HA TYR 67 -0.677 8.672 -3.937 515 HB2 TYR 67 HB2 TYR 67 -0.493 11.141 -3.947 516 HB3 TYR 67 HB3 TYR 67 -1.936 10.602 -4.800 517 HD1 TYR 67 HD1 TYR 67 -4.185 10.798 -3.636 518 HD2 TYR 67 HD2 TYR 67 -0.645 12.586 -2.078 519 HE1 TYR 67 HE1 TYR 67 -5.553 12.264 -2.218 520 HE2 TYR 67 HE2 TYR 67 -2.011 14.056 -0.657 521 HH TYR 67 HH TYR 67 -5.347 13.557 -0.157 522 H GLY 68 H GLY 68 1.240 9.143 -2.742 523 HA2 GLY 68 HA3 GLY 68 1.026 9.977 -0.009 524 HA3 GLY 68 HA2 GLY 68 1.275 8.251 -0.155 525 H SER 69 H SER 69 2.871 10.886 0.604 526 HA SER 69 HA SER 69 5.328 9.523 -0.123 527 HB2 SER 69 HB2 SER 69 5.048 12.460 -0.656 528 HB3 SER 69 HB3 SER 69 6.461 11.461 -1.001 529 HG SER 69 HG SER 69 4.697 10.187 -2.258 530 H GLN 70 H GLN 70 4.327 12.449 1.737 531 HA GLN 70 HA GLN 70 6.962 12.446 2.939 532 HB2 GLN 70 HB2 GLN 70 4.639 14.329 3.220 533 HB3 GLN 70 HB3 GLN 70 6.196 14.569 3.998 534 HG2 GLN 70 HG2 GLN 70 7.293 14.787 1.896 535 HG3 GLN 70 HG3 GLN 70 5.837 14.307 1.025 536 HE21 GLN 70 HE21 GLN 70 7.470 16.750 0.889 537 HE22 GLN 70 HE22 GLN 70 6.367 18.063 1.171 538 H THR 71 H THR 71 3.696 11.976 4.228 539 HA THR 71 HA THR 71 4.840 11.558 6.929 540 HB THR 71 HB THR 71 2.457 13.358 6.447 541 HG1 THR 71 HG1 THR 71 5.164 13.856 6.219 542 HG21 THR 71 HG21 THR 71 2.898 14.142 8.718 543 HG22 THR 71 HG22 THR 71 4.272 13.045 8.843 544 HG23 THR 71 HG23 THR 71 2.638 12.397 8.707 545 HA PRO 72 HA PRO 72 1.146 8.967 6.798 546 HB2 PRO 72 HB2 PRO 72 1.513 7.418 8.917 547 HB3 PRO 72 HB3 PRO 72 2.613 7.349 7.531 548 HG2 PRO 72 HG2 PRO 72 3.105 8.437 10.233 549 HG3 PRO 72 HG3 PRO 72 4.272 7.927 9.004 550 HD2 PRO 72 HD2 PRO 72 3.308 10.616 9.601 551 HD3 PRO 72 HD3 PRO 72 4.625 10.120 8.513 552 H ASN 73 H ASN 73 -0.612 10.268 7.180 553 HA ASN 73 HA ASN 73 -1.468 10.745 9.953 554 HB2 ASN 73 HB2 ASN 73 -2.743 11.580 7.321 555 HB3 ASN 73 HB3 ASN 73 -3.357 11.980 8.919 556 HD21 ASN 73 HD21 ASN 73 -2.720 13.807 6.875 557 HD22 ASN 73 HD22 ASN 73 -1.432 14.813 7.445 558 H GLU 74 H GLU 74 -4.135 10.003 10.020 559 HA GLU 74 HA GLU 74 -3.889 7.568 8.402 560 HB2 GLU 74 HB2 GLU 74 -5.970 6.847 9.751 561 HB3 GLU 74 HB3 GLU 74 -4.412 6.851 10.563 562 HG2 GLU 74 HG2 GLU 74 -5.013 9.148 11.426 563 HG3 GLU 74 HG3 GLU 74 -6.643 8.846 10.826 564 H GLU 75 H GLU 75 -4.243 8.605 6.608 565 HA GLU 75 HA GLU 75 -7.012 8.119 5.863 566 HB2 GLU 75 HB2 GLU 75 -4.741 9.453 4.384 567 HB3 GLU 75 HB3 GLU 75 -6.349 9.163 3.709 568 HG2 GLU 75 HG2 GLU 75 -6.712 11.284 4.357 569 HG3 GLU 75 HG3 GLU 75 -6.990 10.522 5.919 570 H CYS 76 H CYS 76 -3.674 7.342 6.041 571 HA CYS 76 HA CYS 76 -3.548 5.412 3.960 572 HB2 CYS 76 HB2 CYS 76 -1.422 4.806 4.939 573 HB3 CYS 76 HB3 CYS 76 -1.590 6.558 5.014 574 HG CYS 76 HG CYS 76 -0.329 5.724 7.341 575 H LEU 77 H LEU 77 -5.398 5.304 6.671 576 HA LEU 77 HA LEU 77 -4.641 2.708 7.650 577 HB2 LEU 77 HB2 LEU 77 -5.977 4.938 8.714 578 HB3 LEU 77 HB3 LEU 77 -7.192 3.681 8.605 579 HG LEU 77 HG LEU 77 -4.558 3.440 10.064 580 HD11 LEU 77 HD11 LEU 77 -5.921 3.476 12.083 581 HD12 LEU 77 HD12 LEU 77 -6.117 4.966 11.159 582 HD13 LEU 77 HD13 LEU 77 -7.371 3.726 11.110 583 HD21 LEU 77 HD21 LEU 77 -6.901 1.543 9.951 584 HD22 LEU 77 HD22 LEU 77 -5.355 1.309 9.133 585 HD23 LEU 77 HD23 LEU 77 -5.426 1.333 10.895 586 H PHE 78 H PHE 78 -5.382 0.893 6.829 587 HA PHE 78 HA PHE 78 -8.050 0.948 5.636 588 HB2 PHE 78 HB2 PHE 78 -6.140 -1.032 4.504 589 HB3 PHE 78 HB3 PHE 78 -7.454 -0.177 3.735 590 HD1 PHE 78 HD2 PHE 78 -7.032 2.456 3.485 591 HD2 PHE 78 HD1 PHE 78 -4.014 -0.515 3.848 592 HE1 PHE 78 HE2 PHE 78 -5.405 3.979 2.430 593 HE2 PHE 78 HE1 PHE 78 -2.390 0.996 2.807 594 HZ PHE 78 HZ PHE 78 -3.182 3.282 1.986 595 H LEU 79 H LEU 79 -9.049 -1.236 5.629 596 HA LEU 79 HA LEU 79 -8.328 -2.622 8.097 597 HB2 LEU 79 HB2 LEU 79 -10.684 -1.829 7.753 598 HB3 LEU 79 HB3 LEU 79 -10.817 -2.939 6.409 599 HG LEU 79 HG LEU 79 -10.132 -3.978 9.139 600 HD11 LEU 79 HD11 LEU 79 -12.111 -2.573 9.435 601 HD12 LEU 79 HD12 LEU 79 -12.910 -3.414 8.106 602 HD13 LEU 79 HD13 LEU 79 -12.509 -4.283 9.588 603 HD21 LEU 79 HD21 LEU 79 -9.955 -5.515 7.257 604 HD22 LEU 79 HD22 LEU 79 -11.301 -5.968 8.303 605 HD23 LEU 79 HD23 LEU 79 -11.609 -5.139 6.777 606 H GLU 80 H GLU 80 -7.787 -4.763 8.096 607 HA GLU 80 HA GLU 80 -6.498 -5.468 5.570 608 HB2 GLU 80 HB2 GLU 80 -5.011 -5.245 7.444 609 HB3 GLU 80 HB3 GLU 80 -5.993 -6.324 8.421 610 HG2 GLU 80 HG2 GLU 80 -4.020 -7.474 7.722 611 HG3 GLU 80 HG3 GLU 80 -5.411 -8.178 6.905 612 H ARG 81 H ARG 81 -6.902 -7.187 4.455 613 HA ARG 81 HA ARG 81 -8.656 -9.271 5.544 614 HB2 ARG 81 HB2 ARG 81 -10.020 -7.989 4.021 615 HB3 ARG 81 HB3 ARG 81 -8.753 -8.016 2.796 616 HG2 ARG 81 HG2 ARG 81 -8.983 -10.490 2.712 617 HG3 ARG 81 HG3 ARG 81 -10.367 -10.349 3.795 618 HD2 ARG 81 HD2 ARG 81 -11.539 -8.999 2.160 619 HD3 ARG 81 HD3 ARG 81 -10.135 -9.044 1.090 620 HE ARG 81 HE ARG 81 -10.489 -11.445 0.856 621 HH11 ARG 81 HH12 ARG 81 -13.114 -9.577 2.251 622 HH12 ARG 81 HH11 ARG 81 -14.344 -10.722 1.783 623 HH21 ARG 81 HH22 ARG 81 -12.072 -12.948 0.279 624 HH22 ARG 81 HH21 ARG 81 -13.740 -12.655 0.663 625 H LEU 82 H LEU 82 -7.605 -11.106 5.571 626 HA LEU 82 HA LEU 82 -5.297 -11.426 3.837 627 HB2 LEU 82 HB2 LEU 82 -4.795 -13.398 5.346 628 HB3 LEU 82 HB3 LEU 82 -4.689 -11.805 6.064 629 HG LEU 82 HG LEU 82 -7.227 -12.425 6.727 630 HD11 LEU 82 HD11 LEU 82 -5.746 -15.049 6.758 631 HD12 LEU 82 HD12 LEU 82 -7.329 -14.738 7.471 632 HD13 LEU 82 HD13 LEU 82 -7.117 -14.649 5.722 633 HD21 LEU 82 HD21 LEU 82 -5.506 -11.626 8.236 634 HD22 LEU 82 HD22 LEU 82 -6.338 -13.017 8.930 635 HD23 LEU 82 HD23 LEU 82 -4.733 -13.212 8.224 636 H GLU 83 H GLU 83 -5.515 -12.448 2.028 637 HA GLU 83 HA GLU 83 -7.593 -14.441 1.623 638 HB2 GLU 83 HB2 GLU 83 -5.388 -13.417 -0.193 639 HB3 GLU 83 HB3 GLU 83 -6.617 -14.578 -0.674 640 HG2 GLU 83 HG2 GLU 83 -7.326 -11.849 0.343 641 HG3 GLU 83 HG3 GLU 83 -6.948 -12.148 -1.352 642 H GLU 84 H GLU 84 -7.035 -16.666 1.055 643 HA GLU 84 HA GLU 84 -4.828 -17.442 2.792 644 HB2 GLU 84 HB2 GLU 84 -7.160 -19.022 1.716 645 HB3 GLU 84 HB3 GLU 84 -5.898 -19.696 2.745 646 HG2 GLU 84 HG2 GLU 84 -6.473 -18.064 4.489 647 HG3 GLU 84 HG3 GLU 84 -7.772 -17.453 3.468 648 H ASN 85 H ASN 85 -5.190 -16.970 -0.440 649 HA ASN 85 HA ASN 85 -3.281 -19.062 -1.141 650 HB2 ASN 85 HB2 ASN 85 -4.765 -17.016 -2.776 651 HB3 ASN 85 HB3 ASN 85 -3.390 -17.892 -3.445 652 HD21 ASN 85 HD21 ASN 85 -6.666 -18.097 -2.353 653 HD22 ASN 85 HD22 ASN 85 -6.987 -19.690 -2.960 654 H HIS 86 H HIS 86 -2.552 -17.247 0.780 655 HA HIS 86 HA HIS 86 -0.936 -15.833 1.470 656 HB2 HIS 86 HB2 HIS 86 0.421 -17.090 -0.905 657 HB3 HIS 86 HB3 HIS 86 1.251 -15.962 0.162 658 HD1 HIS 86 HD1 HIS 86 0.817 -19.452 -0.291 659 HD2 HIS 86 HD2 HIS 86 0.934 -16.945 3.030 660 HE1 HIS 86 HE1 HIS 86 1.309 -20.944 1.674 661 HE2 HIS 86 HE2 HIS 86 1.137 -19.443 3.689 662 H TYR 87 H TYR 87 -2.900 -14.499 0.198 663 HA TYR 87 HA TYR 87 -1.403 -12.299 -1.061 664 HB2 TYR 87 HB2 TYR 87 -4.224 -13.218 -1.658 665 HB3 TYR 87 HB3 TYR 87 -3.566 -11.681 -2.201 666 HD1 TYR 87 HD1 TYR 87 -1.164 -11.996 -3.433 667 HD2 TYR 87 HD2 TYR 87 -4.260 -14.904 -3.214 668 HE1 TYR 87 HE1 TYR 87 -0.260 -13.101 -5.435 669 HE2 TYR 87 HE2 TYR 87 -3.372 -16.013 -5.219 670 HH TYR 87 HH TYR 87 -1.989 -15.418 -7.193 671 H ASN 88 H ASN 88 -1.828 -10.252 -0.280 672 HA ASN 88 HA ASN 88 -3.606 -10.129 2.056 673 HB2 ASN 88 HB2 ASN 88 -1.031 -8.798 1.391 674 HB3 ASN 88 HB3 ASN 88 -2.212 -7.869 2.310 675 HD21 ASN 88 HD21 ASN 88 -2.803 -8.560 4.373 676 HD22 ASN 88 HD22 ASN 88 -1.840 -9.703 5.258 677 H THR 89 H THR 89 -5.129 -8.567 2.211 678 HA THR 89 HA THR 89 -5.622 -7.019 -0.246 679 HB THR 89 HB THR 89 -7.855 -8.166 1.417 680 HG1 THR 89 HG1 THR 89 -6.327 -9.828 0.571 681 HG21 THR 89 HG21 THR 89 -7.584 -7.300 -1.474 682 HG22 THR 89 HG22 THR 89 -8.437 -6.434 -0.193 683 HG23 THR 89 HG23 THR 89 -9.049 -7.988 -0.762 684 H TYR 90 H TYR 90 -6.757 -5.036 0.079 685 HA TYR 90 HA TYR 90 -6.856 -4.164 2.886 686 HB2 TYR 90 HB2 TYR 90 -5.934 -2.555 0.495 687 HB3 TYR 90 HB3 TYR 90 -6.227 -1.879 2.090 688 HD1 TYR 90 HD1 TYR 90 -4.918 -3.258 4.025 689 HD2 TYR 90 HD2 TYR 90 -3.736 -2.966 -0.046 690 HE1 TYR 90 HE1 TYR 90 -2.602 -3.776 4.669 691 HE2 TYR 90 HE2 TYR 90 -1.418 -3.485 0.585 692 HH TYR 90 HH TYR 90 0.033 -3.429 2.466 693 H ILE 91 H ILE 91 -8.812 -3.468 3.506 694 HA ILE 91 HA ILE 91 -10.660 -2.501 1.416 695 HB ILE 91 HB ILE 91 -11.274 -4.328 3.333 696 HG12 ILE 91 HG12 ILE 91 -13.653 -3.614 2.986 697 HG13 ILE 91 HG13 ILE 91 -13.041 -2.174 2.173 698 HG21 ILE 91 HG21 ILE 91 -12.584 -3.244 5.079 699 HG22 ILE 91 HG22 ILE 91 -10.885 -2.783 5.178 700 HG23 ILE 91 HG23 ILE 91 -12.065 -1.665 4.493 701 HD11 ILE 91 HD11 ILE 91 -11.978 -3.586 0.489 702 HD12 ILE 91 HD12 ILE 91 -12.603 -5.022 1.301 703 HD13 ILE 91 HD13 ILE 91 -13.718 -3.865 0.573 704 H SER 92 H SER 92 -11.572 -0.477 1.740 705 HA SER 92 HA SER 92 -9.532 1.204 2.851 706 HB2 SER 92 HB2 SER 92 -10.958 3.015 1.786 707 HB3 SER 92 HB3 SER 92 -10.309 1.807 0.675 708 HG SER 92 HG SER 92 -12.626 2.402 0.508 709 H LYS 93 H LYS 93 -9.674 2.157 4.724 710 HA LYS 93 HA LYS 93 -11.928 1.459 6.391 711 HB2 LYS 93 HB2 LYS 93 -9.261 1.625 6.851 712 HB3 LYS 93 HB3 LYS 93 -9.775 3.210 7.438 713 HG2 LYS 93 HG2 LYS 93 -11.398 2.083 8.920 714 HG3 LYS 93 HG3 LYS 93 -10.766 0.522 8.371 715 HD2 LYS 93 HD2 LYS 93 -8.536 1.159 9.198 716 HD3 LYS 93 HD3 LYS 93 -9.201 2.679 9.797 717 HE2 LYS 93 HE2 LYS 93 -10.179 -0.034 10.661 718 HE3 LYS 93 HE3 LYS 93 -8.933 0.872 11.517 719 HZ1 LYS 93 HZ1 LYS 93 -10.497 2.630 11.939 720 HZ2 LYS 93 HZ2 LYS 93 -11.159 1.163 12.470 721 HZ3 LYS 93 HZ3 LYS 93 -11.697 1.852 11.020 722 H LYS 94 H LYS 94 -11.030 3.688 4.277 723 HA LYS 94 HA LYS 94 -12.565 5.926 5.080 724 HB2 LYS 94 HB2 LYS 94 -11.273 4.923 2.588 725 HB3 LYS 94 HB3 LYS 94 -12.520 6.120 2.412 726 HG2 LYS 94 HG2 LYS 94 -9.925 6.397 3.881 727 HG3 LYS 94 HG3 LYS 94 -10.424 7.224 2.390 728 HD2 LYS 94 HD2 LYS 94 -12.192 8.378 3.646 729 HD3 LYS 94 HD3 LYS 94 -11.692 7.555 5.122 730 HE2 LYS 94 HE2 LYS 94 -10.780 9.769 5.138 731 HE3 LYS 94 HE3 LYS 94 -9.462 8.624 4.898 732 HZ1 LYS 94 HZ1 LYS 94 -9.397 9.159 2.589 733 HZ2 LYS 94 HZ2 LYS 94 -9.362 10.616 3.453 734 HZ3 LYS 94 HZ3 LYS 94 -10.794 10.110 2.703 735 H HIS 95 H HIS 95 -13.334 4.116 2.113 736 HA HIS 95 HA HIS 95 -16.084 4.078 3.041 737 HB2 HIS 95 HB2 HIS 95 -15.004 3.685 0.266 738 HB3 HIS 95 HB3 HIS 95 -16.711 3.583 0.681 739 HD1 HIS 95 HD1 HIS 95 -14.102 5.911 -0.242 740 HD2 HIS 95 HD2 HIS 95 -17.792 6.125 1.641 741 HE1 HIS 95 HE1 HIS 95 -14.747 8.333 -0.309 742 HE2 HIS 95 HE2 HIS 95 -17.024 8.438 0.758 743 H ALA 96 H ALA 96 -14.341 2.021 4.066 744 HA ALA 96 HA ALA 96 -14.866 -0.504 3.204 745 HB1 ALA 96 HB1 ALA 96 -13.642 -0.005 5.268 746 HB2 ALA 96 HB2 ALA 96 -15.158 0.429 6.059 747 HB3 ALA 96 HB3 ALA 96 -14.883 -1.231 5.529 748 H GLU 97 H GLU 97 -17.140 1.618 4.895 749 HA GLU 97 HA GLU 97 -19.179 -0.312 5.193 750 HB2 GLU 97 HB2 GLU 97 -20.653 1.820 5.431 751 HB3 GLU 97 HB3 GLU 97 -19.446 1.451 6.651 752 HG2 GLU 97 HG2 GLU 97 -19.416 3.800 6.158 753 HG3 GLU 97 HG3 GLU 97 -17.918 3.065 5.603 754 H LYS 98 H LYS 98 -18.238 1.677 2.535 755 HA LYS 98 HA LYS 98 -20.770 1.246 1.164 756 HB2 LYS 98 HB2 LYS 98 -19.396 3.441 1.217 757 HB3 LYS 98 HB3 LYS 98 -18.365 2.648 0.037 758 HG2 LYS 98 HG2 LYS 98 -20.013 2.626 -1.580 759 HG3 LYS 98 HG3 LYS 98 -21.312 2.790 -0.396 760 HD2 LYS 98 HD2 LYS 98 -19.359 4.904 -1.290 761 HD3 LYS 98 HD3 LYS 98 -21.104 4.873 -1.546 762 HE2 LYS 98 HE2 LYS 98 -19.613 5.276 1.041 763 HE3 LYS 98 HE3 LYS 98 -20.683 6.410 0.220 764 HZ1 LYS 98 HZ1 LYS 98 -22.225 5.640 1.613 765 HZ2 LYS 98 HZ2 LYS 98 -21.316 4.275 2.036 766 HZ3 LYS 98 HZ3 LYS 98 -22.275 4.252 0.632 767 H ASN 99 H ASN 99 -18.005 -0.393 1.695 768 HA ASN 99 HA ASN 99 -17.401 -2.457 0.987 769 HB2 ASN 99 HB2 ASN 99 -19.435 -2.056 -1.211 770 HB3 ASN 99 HB3 ASN 99 -18.470 -3.515 -1.022 771 HD21 ASN 99 HD21 ASN 99 -18.580 -3.287 1.929 772 HD22 ASN 99 HD22 ASN 99 -20.169 -3.811 2.373 773 H TRP 100 H TRP 100 -16.394 0.241 0.036 774 HA TRP 100 HA TRP 100 -15.199 -0.316 -2.499 775 HB2 TRP 100 HB2 TRP 100 -15.326 1.900 -0.601 776 HB3 TRP 100 HB3 TRP 100 -13.765 1.745 -1.394 777 HD1 TRP 100 HD1 TRP 100 -16.885 0.859 -3.443 778 HE1 TRP 100 HE1 TRP 100 -17.176 2.672 -5.264 779 HE3 TRP 100 HE3 TRP 100 -13.405 4.132 -1.814 780 HZ2 TRP 100 HZ2 TRP 100 -16.024 5.214 -5.907 781 HZ3 TRP 100 HZ3 TRP 100 -13.024 6.223 -3.053 782 HH2 TRP 100 HH2 TRP 100 -14.286 6.767 -5.034 783 H PHE 101 H PHE 101 -12.951 -0.475 -2.866 784 HA PHE 101 HA PHE 101 -11.554 -1.965 -0.742 785 HB2 PHE 101 HB2 PHE 101 -11.369 -2.298 -3.749 786 HB3 PHE 101 HB3 PHE 101 -10.386 -3.163 -2.580 787 HD1 PHE 101 HD1 PHE 101 -13.914 -2.634 -3.624 788 HD2 PHE 101 HD2 PHE 101 -11.084 -5.207 -1.765 789 HE1 PHE 101 HE1 PHE 101 -15.587 -4.431 -3.577 790 HE2 PHE 101 HE2 PHE 101 -12.758 -7.009 -1.703 791 HZ PHE 101 HZ PHE 101 -15.012 -6.623 -2.621 792 H VAL 102 H VAL 102 -9.308 -1.540 -0.490 793 HA VAL 102 HA VAL 102 -8.376 0.933 -1.713 794 HB VAL 102 HB VAL 102 -6.857 -1.012 0.047 795 HG11 VAL 102 HG11 VAL 102 -5.288 0.852 0.367 796 HG12 VAL 102 HG12 VAL 102 -5.380 0.347 -1.320 797 HG13 VAL 102 HG13 VAL 102 -6.207 1.812 -0.792 798 HG21 VAL 102 HG21 VAL 102 -8.756 -0.040 1.220 799 HG22 VAL 102 HG22 VAL 102 -7.226 0.574 1.850 800 HG23 VAL 102 HG23 VAL 102 -8.204 1.576 0.778 801 H GLY 103 H GLY 103 -7.546 0.876 -3.690 802 HA2 GLY 103 HA3 GLY 103 -6.210 -1.617 -4.498 803 HA3 GLY 103 HA2 GLY 103 -7.300 -0.784 -5.574 804 H LEU 104 H LEU 104 -4.458 -1.516 -5.505 805 HA LEU 104 HA LEU 104 -3.372 1.113 -6.152 806 HB2 LEU 104 HB2 LEU 104 -2.044 1.037 -4.391 807 HB3 LEU 104 HB3 LEU 104 -2.757 -0.484 -3.911 808 HG LEU 104 HG LEU 104 -1.031 -1.647 -5.303 809 HD11 LEU 104 HD11 LEU 104 0.981 -0.390 -5.893 810 HD12 LEU 104 HD12 LEU 104 -0.421 0.198 -6.789 811 HD13 LEU 104 HD13 LEU 104 0.190 1.110 -5.408 812 HD21 LEU 104 HD21 LEU 104 -0.193 0.159 -3.066 813 HD22 LEU 104 HD22 LEU 104 -0.835 -1.480 -2.933 814 HD23 LEU 104 HD23 LEU 104 0.750 -1.205 -3.662 815 H LYS 105 H LYS 105 -2.663 1.101 -8.222 816 HA LYS 105 HA LYS 105 -1.801 -1.523 -9.266 817 HB2 LYS 105 HB2 LYS 105 -3.459 0.234 -10.384 818 HB3 LYS 105 HB3 LYS 105 -1.961 0.978 -10.908 819 HG2 LYS 105 HG2 LYS 105 -2.600 -1.897 -11.465 820 HG3 LYS 105 HG3 LYS 105 -3.119 -0.586 -12.523 821 HD2 LYS 105 HD2 LYS 105 -0.710 0.113 -12.659 822 HD3 LYS 105 HD3 LYS 105 -0.306 -1.393 -11.829 823 HE2 LYS 105 HE2 LYS 105 -0.071 -1.743 -14.188 824 HE3 LYS 105 HE3 LYS 105 -1.488 -2.631 -13.628 825 HZ1 LYS 105 HZ1 LYS 105 -2.883 -0.811 -14.435 826 HZ2 LYS 105 HZ2 LYS 105 -1.962 -1.489 -15.683 827 HZ3 LYS 105 HZ3 LYS 105 -1.510 0.002 -15.006 828 H LYS 106 H LYS 106 0.235 -1.775 -8.448 829 HA LYS 106 HA LYS 106 2.089 0.342 -8.159 830 HB2 LYS 106 HB2 LYS 106 3.655 -1.207 -7.395 831 HB3 LYS 106 HB3 LYS 106 2.125 -1.975 -6.976 832 HG2 LYS 106 HG2 LYS 106 2.270 -3.482 -8.806 833 HG3 LYS 106 HG3 LYS 106 3.609 -2.588 -9.523 834 HD2 LYS 106 HD2 LYS 106 5.026 -3.210 -7.622 835 HD3 LYS 106 HD3 LYS 106 3.681 -4.121 -6.927 836 HE2 LYS 106 HE2 LYS 106 3.655 -5.613 -8.815 837 HE3 LYS 106 HE3 LYS 106 4.883 -4.666 -9.641 838 HZ1 LYS 106 HZ1 LYS 106 5.209 -6.270 -7.165 839 HZ2 LYS 106 HZ2 LYS 106 6.397 -5.212 -7.744 840 HZ3 LYS 106 HZ3 LYS 106 5.932 -6.558 -8.667 841 H ASN 107 H ASN 107 1.263 -1.740 -10.780 842 HA ASN 107 HA ASN 107 3.794 -1.562 -12.064 843 HB2 ASN 107 HB2 ASN 107 1.900 -3.290 -12.435 844 HB3 ASN 107 HB3 ASN 107 1.147 -2.045 -13.442 845 HD21 ASN 107 HD21 ASN 107 1.327 -3.028 -15.393 846 HD22 ASN 107 HD22 ASN 107 2.840 -3.372 -16.159 847 H GLY 108 H GLY 108 1.220 0.528 -11.535 848 HA2 GLY 108 HA3 GLY 108 2.567 2.558 -13.207 849 HA3 GLY 108 HA2 GLY 108 0.836 2.606 -12.884 850 H SER 109 H SER 109 0.137 2.823 -10.818 851 HA SER 109 HA SER 109 1.676 3.767 -8.612 852 HB2 SER 109 HB2 SER 109 1.716 5.813 -10.040 853 HB3 SER 109 HB3 SER 109 -0.043 5.764 -10.140 854 HG SER 109 HG SER 109 1.533 6.145 -7.806 855 H CYS 110 H CYS 110 -0.106 4.395 -6.792 856 HA CYS 110 HA CYS 110 -2.105 2.312 -7.214 857 HB2 CYS 110 HB2 CYS 110 -2.505 2.687 -4.762 858 HB3 CYS 110 HB3 CYS 110 -0.876 2.179 -5.183 859 HG CYS 110 HG CYS 110 -1.596 5.482 -4.765 860 H LYS 111 H LYS 111 -3.837 3.085 -8.313 861 HA LYS 111 HA LYS 111 -5.428 5.097 -6.965 862 HB2 LYS 111 HB2 LYS 111 -6.169 6.000 -9.171 863 HB3 LYS 111 HB3 LYS 111 -4.500 6.371 -8.773 864 HG2 LYS 111 HG2 LYS 111 -5.236 4.051 -10.544 865 HG3 LYS 111 HG3 LYS 111 -5.017 5.679 -11.182 866 HD2 LYS 111 HD2 LYS 111 -2.918 4.104 -9.649 867 HD3 LYS 111 HD3 LYS 111 -2.994 4.262 -11.408 868 HE2 LYS 111 HE2 LYS 111 -2.746 6.586 -9.495 869 HE3 LYS 111 HE3 LYS 111 -1.395 5.834 -10.342 870 HZ1 LYS 111 HZ1 LYS 111 -3.727 7.103 -11.678 871 HZ2 LYS 111 HZ2 LYS 111 -2.344 6.476 -12.434 872 HZ3 LYS 111 HZ3 LYS 111 -2.222 7.850 -11.445 873 H ARG 112 H ARG 112 -7.087 3.577 -6.258 874 HA ARG 112 HA ARG 112 -8.524 2.617 -8.595 875 HB2 ARG 112 HB2 ARG 112 -7.806 0.733 -6.364 876 HB3 ARG 112 HB3 ARG 112 -8.856 0.357 -7.729 877 HG2 ARG 112 HG2 ARG 112 -7.008 0.765 -9.268 878 HG3 ARG 112 HG3 ARG 112 -5.956 1.167 -7.892 879 HD2 ARG 112 HD2 ARG 112 -5.741 -1.178 -8.867 880 HD3 ARG 112 HD3 ARG 112 -5.998 -1.079 -7.125 881 HE ARG 112 HE ARG 112 -7.972 -2.180 -7.393 882 HH11 ARG 112 HH12 ARG 112 -6.984 -0.900 -10.491 883 HH12 ARG 112 HH11 ARG 112 -8.237 -1.714 -11.372 884 HH21 ARG 112 HH22 ARG 112 -9.626 -3.252 -8.540 885 HH22 ARG 112 HH21 ARG 112 -9.747 -3.050 -10.257 886 H GLY 113 H GLY 113 -10.025 4.412 -7.858 887 HA2 GLY 113 HA3 GLY 113 -11.862 3.456 -5.838 888 HA3 GLY 113 HA2 GLY 113 -12.090 4.851 -6.884 889 HA PRO 114 HA PRO 114 -15.039 2.923 -9.386 890 HB2 PRO 114 HB2 PRO 114 -13.337 3.114 -11.812 891 HB3 PRO 114 HB3 PRO 114 -14.961 3.745 -11.518 892 HG2 PRO 114 HG2 PRO 114 -12.868 5.381 -11.537 893 HG3 PRO 114 HG3 PRO 114 -14.173 5.596 -10.354 894 HD2 PRO 114 HD2 PRO 114 -11.457 4.394 -9.985 895 HD3 PRO 114 HD3 PRO 114 -12.375 5.462 -8.901 896 H ARG 115 H ARG 115 -11.827 1.465 -9.670 897 HA ARG 115 HA ARG 115 -13.006 -0.858 -10.939 898 HB2 ARG 115 HB2 ARG 115 -10.178 0.125 -10.669 899 HB3 ARG 115 HB3 ARG 115 -10.536 -1.520 -11.164 900 HG2 ARG 115 HG2 ARG 115 -10.098 -0.179 -13.105 901 HG3 ARG 115 HG3 ARG 115 -11.800 -0.636 -13.093 902 HD2 ARG 115 HD2 ARG 115 -12.493 1.524 -12.527 903 HD3 ARG 115 HD3 ARG 115 -10.887 1.996 -11.979 904 HE ARG 115 HE ARG 115 -10.318 1.682 -14.488 905 HH11 ARG 115 HH12 ARG 115 -13.430 2.848 -13.332 906 HH12 ARG 115 HH11 ARG 115 -13.616 3.979 -14.636 907 HH21 ARG 115 HH22 ARG 115 -10.604 3.130 -16.197 908 HH22 ARG 115 HH21 ARG 115 -12.027 4.126 -16.264 909 H THR 116 H THR 116 -11.927 0.219 -7.807 910 HA THR 116 HA THR 116 -11.092 -2.305 -6.855 911 HB THR 116 HB THR 116 -11.809 -1.266 -4.568 912 HG1 THR 116 HG1 THR 116 -11.428 1.152 -4.989 913 HG21 THR 116 HG21 THR 116 -9.539 -1.725 -5.315 914 HG22 THR 116 HG22 THR 116 -9.623 -0.161 -4.505 915 HG23 THR 116 HG23 THR 116 -9.537 -0.238 -6.265 916 H HIS 117 H HIS 117 -12.105 -3.935 -6.812 917 HA HIS 117 HA HIS 117 -14.347 -4.983 -5.825 918 HB2 HIS 117 HB2 HIS 117 -14.955 -3.513 -8.423 919 HB3 HIS 117 HB3 HIS 117 -15.778 -5.017 -8.041 920 HD1 HIS 117 HD1 HIS 117 -16.726 -4.740 -5.274 921 HD2 HIS 117 HD2 HIS 117 -16.635 -1.490 -7.867 922 HE1 HIS 117 HE1 HIS 117 -18.360 -3.072 -4.332 923 HE2 HIS 117 HE2 HIS 117 -18.151 -1.040 -5.817 924 H TYR 118 H TYR 118 -14.785 -7.056 -7.659 925 HA TYR 118 HA TYR 118 -12.043 -7.392 -8.547 926 HB2 TYR 118 HB2 TYR 118 -12.791 -9.625 -9.427 927 HB3 TYR 118 HB3 TYR 118 -12.986 -9.412 -7.698 928 HD1 TYR 118 HD1 TYR 118 -15.406 -8.656 -6.934 929 HD2 TYR 118 HD2 TYR 118 -14.513 -10.513 -10.657 930 HE1 TYR 118 HE1 TYR 118 -17.735 -9.421 -7.107 931 HE2 TYR 118 HE2 TYR 118 -16.842 -11.276 -10.841 932 HH TYR 118 HH TYR 118 -18.732 -11.767 -9.354 933 H GLY 119 H GLY 119 -12.096 -5.590 -9.699 934 HA2 GLY 119 HA3 GLY 119 -13.071 -5.825 -12.453 935 HA3 GLY 119 HA2 GLY 119 -12.475 -4.334 -11.684 936 H GLN 120 H GLN 120 -10.329 -5.381 -10.363 937 HA GLN 120 HA GLN 120 -8.475 -6.270 -12.447 938 HB2 GLN 120 HB2 GLN 120 -8.588 -3.536 -11.260 939 HB3 GLN 120 HB3 GLN 120 -6.985 -4.299 -11.317 940 HG2 GLN 120 HG2 GLN 120 -7.108 -3.086 -13.294 941 HG3 GLN 120 HG3 GLN 120 -7.484 -4.735 -13.792 942 HE21 GLN 120 HE21 GLN 120 -8.582 -4.059 -15.615 943 HE22 GLN 120 HE22 GLN 120 -10.145 -3.320 -15.525 944 H LYS 121 H LYS 121 -6.712 -7.359 -11.641 945 HA LYS 121 HA LYS 121 -6.942 -8.199 -8.879 946 HB2 LYS 121 HB2 LYS 121 -4.995 -9.102 -11.012 947 HB3 LYS 121 HB3 LYS 121 -5.212 -9.850 -9.436 948 HG2 LYS 121 HG2 LYS 121 -7.705 -10.062 -10.207 949 HG3 LYS 121 HG3 LYS 121 -7.003 -9.902 -11.816 950 HD2 LYS 121 HD2 LYS 121 -6.250 -11.967 -9.751 951 HD3 LYS 121 HD3 LYS 121 -7.247 -12.248 -11.176 952 HE2 LYS 121 HE2 LYS 121 -5.347 -11.644 -12.608 953 HE3 LYS 121 HE3 LYS 121 -4.356 -11.388 -11.172 954 HZ1 LYS 121 HZ1 LYS 121 -3.964 -13.564 -12.132 955 HZ2 LYS 121 HZ2 LYS 121 -5.606 -13.958 -11.982 956 HZ3 LYS 121 HZ3 LYS 121 -4.662 -13.717 -10.595 957 H ALA 122 H ALA 122 -5.691 -5.553 -10.082 958 HA ALA 122 HA ALA 122 -3.188 -5.405 -8.726 959 HB1 ALA 122 HB1 ALA 122 -3.393 -2.982 -9.068 960 HB2 ALA 122 HB2 ALA 122 -3.716 -3.891 -10.546 961 HB3 ALA 122 HB3 ALA 122 -5.054 -3.210 -9.620 962 H ILE 123 H ILE 123 -6.210 -5.856 -7.577 963 HA ILE 123 HA ILE 123 -5.805 -4.426 -5.070 964 HB ILE 123 HB ILE 123 -7.953 -6.433 -5.807 965 HG12 ILE 123 HG12 ILE 123 -7.969 -3.411 -5.934 966 HG13 ILE 123 HG13 ILE 123 -8.007 -4.514 -7.307 967 HG21 ILE 123 HG21 ILE 123 -9.198 -5.484 -3.937 968 HG22 ILE 123 HG22 ILE 123 -7.646 -6.107 -3.381 969 HG23 ILE 123 HG23 ILE 123 -7.872 -4.372 -3.599 970 HD11 ILE 123 HD11 ILE 123 -10.200 -3.586 -6.828 971 HD12 ILE 123 HD12 ILE 123 -10.176 -5.336 -6.603 972 HD13 ILE 123 HD13 ILE 123 -10.136 -4.267 -5.202 973 H LEU 124 H LEU 124 -4.556 -7.094 -6.499 974 HA LEU 124 HA LEU 124 -4.306 -8.605 -4.003 975 HB2 LEU 124 HB2 LEU 124 -3.378 -9.254 -6.805 976 HB3 LEU 124 HB3 LEU 124 -3.122 -10.285 -5.410 977 HG LEU 124 HG LEU 124 -5.799 -9.538 -6.591 978 HD11 LEU 124 HD11 LEU 124 -4.524 -11.103 -7.968 979 HD12 LEU 124 HD12 LEU 124 -4.307 -12.158 -6.573 980 HD13 LEU 124 HD13 LEU 124 -5.921 -11.884 -7.228 981 HD21 LEU 124 HD21 LEU 124 -5.955 -9.802 -4.181 982 HD22 LEU 124 HD22 LEU 124 -6.711 -11.169 -5.000 983 HD23 LEU 124 HD23 LEU 124 -5.112 -11.349 -4.277 984 H PHE 125 H PHE 125 -2.849 -7.726 -2.691 985 HA PHE 125 HA PHE 125 -0.182 -7.178 -3.818 986 HB2 PHE 125 HB2 PHE 125 -0.589 -5.722 -1.373 987 HB3 PHE 125 HB3 PHE 125 -0.120 -5.129 -2.949 988 HD1 PHE 125 HD1 PHE 125 -3.053 -6.013 -0.887 989 HD2 PHE 125 HD2 PHE 125 -1.577 -3.835 -4.229 990 HE1 PHE 125 HE1 PHE 125 -5.223 -4.891 -1.112 991 HE2 PHE 125 HE2 PHE 125 -3.750 -2.702 -4.453 992 HZ PHE 125 HZ PHE 125 -5.522 -3.127 -2.862 993 H LEU 126 H LEU 126 1.592 -7.434 -2.310 994 HA LEU 126 HA LEU 126 1.022 -9.137 -0.001 995 HB2 LEU 126 HB2 LEU 126 3.248 -9.441 -2.027 996 HB3 LEU 126 HB3 LEU 126 3.293 -10.191 -0.446 997 HG LEU 126 HG LEU 126 1.091 -11.335 -1.124 998 HD11 LEU 126 HD11 LEU 126 0.757 -11.660 -3.508 999 HD12 LEU 126 HD12 LEU 126 0.602 -9.957 -3.076 1000 HD13 LEU 126 HD13 LEU 126 2.073 -10.538 -3.859 1001 HD21 LEU 126 HD21 LEU 126 3.180 -12.526 -0.886 1002 HD22 LEU 126 HD22 LEU 126 2.312 -13.111 -2.305 1003 HD23 LEU 126 HD23 LEU 126 3.685 -12.020 -2.498 1004 HA PRO 127 HA PRO 127 3.753 -6.068 1.729 1005 HB2 PRO 127 HB2 PRO 127 3.243 -6.680 4.321 1006 HB3 PRO 127 HB3 PRO 127 2.043 -5.902 3.286 1007 HG2 PRO 127 HG2 PRO 127 2.049 -8.611 4.372 1008 HG3 PRO 127 HG3 PRO 127 0.728 -7.724 3.595 1009 HD2 PRO 127 HD2 PRO 127 2.569 -9.700 2.444 1010 HD3 PRO 127 HD3 PRO 127 1.038 -9.076 1.791 1011 H LEU 128 H LEU 128 5.874 -6.483 1.429 1012 HA LEU 128 HA LEU 128 7.089 -8.686 2.967 1013 HB2 LEU 128 HB2 LEU 128 7.853 -7.771 0.188 1014 HB3 LEU 128 HB3 LEU 128 8.642 -9.041 1.101 1015 HG LEU 128 HG LEU 128 5.791 -9.126 0.108 1016 HD11 LEU 128 HD11 LEU 128 6.614 -10.806 -1.469 1017 HD12 LEU 128 HD12 LEU 128 7.388 -9.241 -1.721 1018 HD13 LEU 128 HD13 LEU 128 8.261 -10.533 -0.896 1019 HD21 LEU 128 HD21 LEU 128 7.484 -11.223 1.465 1020 HD22 LEU 128 HD22 LEU 128 6.078 -10.407 2.151 1021 HD23 LEU 128 HD23 LEU 128 5.884 -11.490 0.771 1022 HA PRO 129 HA PRO 129 9.378 -5.038 4.201 1023 HB2 PRO 129 HB2 PRO 129 10.330 -6.440 6.503 1024 HB3 PRO 129 HB3 PRO 129 9.036 -5.244 6.418 1025 HG2 PRO 129 HG2 PRO 129 8.681 -7.928 7.013 1026 HG3 PRO 129 HG3 PRO 129 7.414 -6.828 6.446 1027 HD2 PRO 129 HD2 PRO 129 8.999 -8.847 4.915 1028 HD3 PRO 129 HD3 PRO 129 7.292 -8.380 4.742 1029 H VAL 130 H VAL 130 11.676 -4.586 4.765 1030 HA VAL 130 HA VAL 130 13.250 -5.644 2.729 1031 HB VAL 130 HB VAL 130 13.872 -3.533 3.378 1032 HG11 VAL 130 HG11 VAL 130 14.103 -4.493 6.222 1033 HG12 VAL 130 HG12 VAL 130 14.451 -2.857 5.664 1034 HG13 VAL 130 HG13 VAL 130 12.810 -3.493 5.561 1035 HG21 VAL 130 HG21 VAL 130 15.953 -5.300 4.643 1036 HG22 VAL 130 HG22 VAL 130 15.847 -4.872 2.934 1037 HG23 VAL 130 HG23 VAL 130 16.189 -3.627 4.135 1038 H SER 131 H SER 131 14.862 -7.028 2.569 1039 HA SER 131 HA SER 131 14.608 -9.299 4.361 1040 HB2 SER 131 HB2 SER 131 16.066 -9.058 1.720 1041 HB3 SER 131 HB3 SER 131 15.656 -10.555 2.562 1042 HG SER 131 HG SER 131 13.389 -9.727 2.381 1043 H SER 132 H SER 132 16.410 -10.486 5.170 1044 HA SER 132 HA SER 132 18.739 -8.858 5.798 1045 HB2 SER 132 HB2 SER 132 17.968 -11.653 6.691 1046 HB3 SER 132 HB3 SER 132 19.342 -10.732 7.301 1047 HG SER 132 HG SER 132 18.037 -9.785 8.625 1048 H ASP 133 H ASP 133 20.463 -8.889 4.546 1049 HA ASP 133 HA ASP 133 21.029 -11.300 2.952 1050 HB2 ASP 133 HB2 ASP 133 21.796 -8.415 2.594 1051 HB3 ASP 133 HB3 ASP 133 22.715 -9.696 1.813 Start of MODEL 17 1 H1 TYR 1 H1 TYR 1 17.853 -6.665 5.843 2 H2 TYR 1 H2 TYR 1 16.470 -5.697 5.950 3 H3 TYR 1 H3 TYR 1 16.882 -6.719 7.231 4 HA TYR 1 HA TYR 1 18.839 -5.473 7.698 5 HB2 TYR 1 HB2 TYR 1 17.929 -3.679 5.430 6 HB3 TYR 1 HB3 TYR 1 19.271 -3.345 6.515 7 HD1 TYR 1 HD1 TYR 1 21.068 -5.348 6.596 8 HD2 TYR 1 HD2 TYR 1 18.434 -4.512 3.360 9 HE1 TYR 1 HE1 TYR 1 22.609 -6.488 5.052 10 HE2 TYR 1 HE2 TYR 1 19.962 -5.654 1.810 11 HH TYR 1 HH TYR 1 22.623 -7.554 2.906 12 H LYS 2 H LYS 2 16.197 -3.502 6.392 13 HA LYS 2 HA LYS 2 15.653 -2.527 9.103 14 HB2 LYS 2 HB2 LYS 2 15.082 -1.384 6.371 15 HB3 LYS 2 HB3 LYS 2 14.309 -0.762 7.821 16 HG2 LYS 2 HG2 LYS 2 16.507 -0.206 8.750 17 HG3 LYS 2 HG3 LYS 2 17.274 -0.821 7.283 18 HD2 LYS 2 HD2 LYS 2 16.310 0.888 5.953 19 HD3 LYS 2 HD3 LYS 2 15.209 1.370 7.244 20 HE2 LYS 2 HE2 LYS 2 17.009 2.977 7.030 21 HE3 LYS 2 HE3 LYS 2 17.121 2.137 8.574 22 HZ1 LYS 2 HZ1 LYS 2 19.271 2.410 7.446 23 HZ2 LYS 2 HZ2 LYS 2 18.720 1.438 6.169 24 HZ3 LYS 2 HZ3 LYS 2 18.886 0.786 7.724 25 H LYS 3 H LYS 3 13.452 -2.308 9.759 26 HA LYS 3 HA LYS 3 11.905 -4.613 9.068 27 HB2 LYS 3 HB2 LYS 3 11.303 -2.328 10.937 28 HB3 LYS 3 HB3 LYS 3 10.318 -3.775 10.762 29 HG2 LYS 3 HG2 LYS 3 12.180 -5.149 11.522 30 HG3 LYS 3 HG3 LYS 3 13.190 -3.711 11.671 31 HD2 LYS 3 HD2 LYS 3 12.331 -4.347 13.841 32 HD3 LYS 3 HD3 LYS 3 11.622 -2.812 13.342 33 HE2 LYS 3 HE2 LYS 3 9.920 -4.214 14.322 34 HE3 LYS 3 HE3 LYS 3 9.606 -4.015 12.599 35 HZ1 LYS 3 HZ1 LYS 3 9.295 -6.308 13.361 36 HZ2 LYS 3 HZ2 LYS 3 10.927 -6.380 13.823 37 HZ3 LYS 3 HZ3 LYS 3 10.512 -6.191 12.189 38 HA PRO 4 HA PRO 4 9.032 -0.764 7.315 39 HB2 PRO 4 HB2 PRO 4 11.122 -0.005 5.435 40 HB3 PRO 4 HB3 PRO 4 10.122 1.018 6.467 41 HG2 PRO 4 HG2 PRO 4 12.838 0.044 6.908 42 HG3 PRO 4 HG3 PRO 4 11.957 1.332 7.747 43 HD2 PRO 4 HD2 PRO 4 12.586 -1.024 8.923 44 HD3 PRO 4 HD3 PRO 4 11.119 -0.111 9.336 45 H LYS 5 H LYS 5 7.791 -1.630 5.824 46 HA LYS 5 HA LYS 5 8.807 -3.913 4.346 47 HB2 LYS 5 HB2 LYS 5 5.974 -2.917 4.664 48 HB3 LYS 5 HB3 LYS 5 6.451 -4.410 3.875 49 HG2 LYS 5 HG2 LYS 5 7.431 -5.135 6.083 50 HG3 LYS 5 HG3 LYS 5 6.632 -3.732 6.801 51 HD2 LYS 5 HD2 LYS 5 4.498 -4.626 5.695 52 HD3 LYS 5 HD3 LYS 5 5.391 -6.127 5.472 53 HE2 LYS 5 HE2 LYS 5 4.953 -4.767 8.125 54 HE3 LYS 5 HE3 LYS 5 3.966 -6.086 7.507 55 HZ1 LYS 5 HZ1 LYS 5 5.620 -6.892 9.048 56 HZ2 LYS 5 HZ2 LYS 5 6.873 -6.222 8.120 57 HZ3 LYS 5 HZ3 LYS 5 5.939 -7.496 7.494 58 H LEU 6 H LEU 6 7.914 -4.249 2.217 59 HA LEU 6 HA LEU 6 8.292 -1.951 0.461 60 HB2 LEU 6 HB2 LEU 6 9.691 -3.681 -0.200 61 HB3 LEU 6 HB3 LEU 6 8.544 -4.924 0.263 62 HG LEU 6 HG LEU 6 7.139 -4.176 -1.708 63 HD11 LEU 6 HD11 LEU 6 8.112 -2.896 -3.407 64 HD12 LEU 6 HD12 LEU 6 8.365 -2.005 -1.911 65 HD13 LEU 6 HD13 LEU 6 9.700 -2.911 -2.628 66 HD21 LEU 6 HD21 LEU 6 9.861 -5.345 -2.254 67 HD22 LEU 6 HD22 LEU 6 8.435 -6.235 -1.716 68 HD23 LEU 6 HD23 LEU 6 8.446 -5.468 -3.305 69 H LEU 7 H LEU 7 6.781 -1.574 -1.309 70 HA LEU 7 HA LEU 7 4.051 -2.228 -0.596 71 HB2 LEU 7 HB2 LEU 7 4.452 0.001 -1.515 72 HB3 LEU 7 HB3 LEU 7 5.108 -0.706 -2.982 73 HG LEU 7 HG LEU 7 2.697 -1.866 -3.083 74 HD11 LEU 7 HD11 LEU 7 0.969 -0.337 -2.276 75 HD12 LEU 7 HD12 LEU 7 1.950 -0.967 -0.954 76 HD13 LEU 7 HD13 LEU 7 2.207 0.677 -1.537 77 HD21 LEU 7 HD21 LEU 7 1.919 -0.089 -4.540 78 HD22 LEU 7 HD22 LEU 7 3.157 0.998 -3.909 79 HD23 LEU 7 HD23 LEU 7 3.624 -0.433 -4.829 80 H TYR 8 H TYR 8 2.881 -3.441 -1.439 81 HA TYR 8 HA TYR 8 4.003 -5.788 -2.446 82 HB2 TYR 8 HB2 TYR 8 1.394 -6.314 -1.916 83 HB3 TYR 8 HB3 TYR 8 2.653 -6.248 -0.690 84 HD1 TYR 8 HD1 TYR 8 0.223 -4.004 -2.421 85 HD2 TYR 8 HD2 TYR 8 2.329 -4.902 1.151 86 HE1 TYR 8 HE1 TYR 8 -1.017 -2.227 -1.254 87 HE2 TYR 8 HE2 TYR 8 1.102 -3.124 2.335 88 HH TYR 8 HH TYR 8 -0.145 -1.143 1.896 89 H CYS 9 H CYS 9 4.186 -6.069 -4.501 90 HA CYS 9 HA CYS 9 2.326 -5.019 -6.428 91 HB2 CYS 9 HB2 CYS 9 3.905 -5.941 -8.075 92 HB3 CYS 9 HB3 CYS 9 4.710 -4.922 -6.888 93 HG CYS 9 HG CYS 9 4.702 -8.116 -5.979 94 H SER 10 H SER 10 0.816 -6.134 -7.557 95 HA SER 10 HA SER 10 0.470 -8.986 -7.223 96 HB2 SER 10 HB2 SER 10 -0.766 -7.869 -9.611 97 HB3 SER 10 HB3 SER 10 -1.550 -8.523 -8.170 98 HG SER 10 HG SER 10 -1.569 -6.564 -7.243 99 H ASN 11 H ASN 11 0.833 -10.460 -9.363 100 HA ASN 11 HA ASN 11 3.660 -9.910 -9.200 101 HB2 ASN 11 HB2 ASN 11 2.724 -12.155 -8.724 102 HB3 ASN 11 HB3 ASN 11 2.320 -12.316 -10.431 103 HD21 ASN 11 HD21 ASN 11 3.670 -14.153 -10.533 104 HD22 ASN 11 HD22 ASN 11 5.394 -13.990 -10.609 105 H GLY 12 H GLY 12 4.271 -8.460 -10.456 106 HA2 GLY 12 HA3 GLY 12 4.989 -9.325 -13.131 107 HA3 GLY 12 HA2 GLY 12 4.270 -7.712 -12.977 108 H GLY 13 H GLY 13 5.077 -6.677 -10.839 109 HA2 GLY 13 HA3 GLY 13 6.845 -6.803 -9.143 110 HA3 GLY 13 HA2 GLY 13 7.967 -7.089 -10.459 111 H HIS 14 H HIS 14 5.683 -4.695 -9.199 112 HA HIS 14 HA HIS 14 7.770 -2.724 -9.565 113 HB2 HIS 14 HB2 HIS 14 4.937 -2.553 -10.426 114 HB3 HIS 14 HB3 HIS 14 5.582 -1.139 -9.598 115 HD1 HIS 14 HD1 HIS 14 5.175 -0.016 -12.043 116 HD2 HIS 14 HD2 HIS 14 8.279 -2.750 -11.714 117 HE1 HIS 14 HE1 HIS 14 6.595 0.329 -14.088 118 HE2 HIS 14 HE2 HIS 14 8.343 -1.486 -13.965 119 H PHE 15 H PHE 15 7.487 -1.001 -7.884 120 HA PHE 15 HA PHE 15 6.514 -2.128 -5.367 121 HB2 PHE 15 HB2 PHE 15 9.408 -1.336 -5.902 122 HB3 PHE 15 HB3 PHE 15 8.755 -1.894 -4.370 123 HD1 PHE 15 HD2 PHE 15 7.205 -4.220 -5.080 124 HD2 PHE 15 HD1 PHE 15 10.933 -2.898 -6.642 125 HE1 PHE 15 HE2 PHE 15 7.762 -6.534 -5.691 126 HE2 PHE 15 HE1 PHE 15 11.495 -5.213 -7.263 127 HZ PHE 15 HZ PHE 15 9.957 -7.029 -6.759 128 H LEU 16 H LEU 16 6.079 -0.399 -3.915 129 HA LEU 16 HA LEU 16 5.833 2.116 -5.160 130 HB2 LEU 16 HB2 LEU 16 4.177 2.079 -3.647 131 HB3 LEU 16 HB3 LEU 16 5.047 1.001 -2.576 132 HG LEU 16 HG LEU 16 6.420 3.063 -1.900 133 HD11 LEU 16 HD11 LEU 16 5.275 5.208 -2.124 134 HD12 LEU 16 HD12 LEU 16 5.750 4.546 -3.688 135 HD13 LEU 16 HD13 LEU 16 4.069 4.449 -3.163 136 HD21 LEU 16 HD21 LEU 16 4.822 1.980 -0.429 137 HD22 LEU 16 HD22 LEU 16 4.730 3.733 -0.255 138 HD23 LEU 16 HD23 LEU 16 3.500 2.873 -1.180 139 H ARG 17 H ARG 17 7.030 3.521 -5.387 140 HA ARG 17 HA ARG 17 9.167 4.222 -3.476 141 HB2 ARG 17 HB2 ARG 17 8.942 4.362 -6.467 142 HB3 ARG 17 HB3 ARG 17 10.085 5.388 -5.608 143 HG2 ARG 17 HG2 ARG 17 11.365 3.540 -4.931 144 HG3 ARG 17 HG3 ARG 17 10.074 2.401 -5.330 145 HD2 ARG 17 HD2 ARG 17 11.877 2.367 -6.997 146 HD3 ARG 17 HD3 ARG 17 10.340 2.878 -7.690 147 HE ARG 17 HE ARG 17 12.713 4.546 -7.243 148 HH11 ARG 17 HH12 ARG 17 9.370 4.337 -8.312 149 HH12 ARG 17 HH11 ARG 17 9.460 5.750 -9.313 150 HH21 ARG 17 HH22 ARG 17 12.832 6.409 -8.603 151 HH22 ARG 17 HH21 ARG 17 11.419 6.910 -9.496 152 H ILE 18 H ILE 18 9.094 6.420 -2.795 153 HA ILE 18 HA ILE 18 6.748 7.841 -3.751 154 HB ILE 18 HB ILE 18 7.024 9.365 -1.934 155 HG12 ILE 18 HG12 ILE 18 9.406 7.851 -0.928 156 HG13 ILE 18 HG13 ILE 18 9.600 9.196 -2.048 157 HG21 ILE 18 HG21 ILE 18 5.848 7.308 -1.453 158 HG22 ILE 18 HG22 ILE 18 7.366 6.524 -1.017 159 HG23 ILE 18 HG23 ILE 18 6.743 7.845 -0.030 160 HD11 ILE 18 HD11 ILE 18 8.501 10.679 -0.462 161 HD12 ILE 18 HD12 ILE 18 8.283 9.331 0.654 162 HD13 ILE 18 HD13 ILE 18 9.907 9.895 0.258 163 H LEU 19 H LEU 19 6.822 9.455 -5.068 164 HA LEU 19 HA LEU 19 9.299 11.000 -5.368 165 HB2 LEU 19 HB2 LEU 19 6.751 11.043 -7.009 166 HB3 LEU 19 HB3 LEU 19 8.174 12.017 -7.322 167 HG LEU 19 HG LEU 19 8.049 9.004 -7.488 168 HD11 LEU 19 HD11 LEU 19 8.269 9.354 -9.897 169 HD12 LEU 19 HD12 LEU 19 6.794 10.090 -9.271 170 HD13 LEU 19 HD13 LEU 19 8.189 11.099 -9.652 171 HD21 LEU 19 HD21 LEU 19 10.254 9.800 -6.822 172 HD22 LEU 19 HD22 LEU 19 10.281 9.194 -8.478 173 HD23 LEU 19 HD23 LEU 19 10.267 10.932 -8.175 174 HA PRO 20 HA PRO 20 7.467 13.926 -2.651 175 HB2 PRO 20 HB2 PRO 20 8.956 16.084 -3.941 176 HB3 PRO 20 HB3 PRO 20 9.181 15.385 -2.335 177 HG2 PRO 20 HG2 PRO 20 10.967 15.023 -4.328 178 HG3 PRO 20 HG3 PRO 20 10.654 13.784 -3.097 179 HD2 PRO 20 HD2 PRO 20 9.635 13.960 -5.911 180 HD3 PRO 20 HD3 PRO 20 10.237 12.546 -5.017 181 H ASP 21 H ASP 21 6.889 13.906 -5.871 182 HA ASP 21 HA ASP 21 5.284 16.252 -6.145 183 HB2 ASP 21 HB2 ASP 21 5.368 13.669 -7.727 184 HB3 ASP 21 HB3 ASP 21 4.412 15.077 -8.179 185 H GLY 22 H GLY 22 4.935 13.191 -4.676 186 HA2 GLY 22 HA3 GLY 22 3.195 12.937 -3.030 187 HA3 GLY 22 HA2 GLY 22 2.121 13.842 -4.087 188 H THR 23 H THR 23 4.238 11.045 -4.788 189 HA THR 23 HA THR 23 1.846 9.673 -5.775 190 HB THR 23 HB THR 23 4.552 8.936 -6.656 191 HG1 THR 23 HG1 THR 23 3.144 11.225 -7.663 192 HG21 THR 23 HG21 THR 23 1.902 9.208 -8.054 193 HG22 THR 23 HG22 THR 23 2.619 7.712 -7.458 194 HG23 THR 23 HG23 THR 23 3.379 8.585 -8.790 195 H VAL 24 H VAL 24 1.380 7.796 -4.827 196 HA VAL 24 HA VAL 24 3.503 6.101 -3.701 197 HB VAL 24 HB VAL 24 0.688 5.161 -4.006 198 HG11 VAL 24 HG11 VAL 24 1.062 4.191 -1.799 199 HG12 VAL 24 HG12 VAL 24 2.300 3.708 -2.959 200 HG13 VAL 24 HG13 VAL 24 2.657 4.940 -1.747 201 HG21 VAL 24 HG21 VAL 24 1.452 7.256 -1.997 202 HG22 VAL 24 HG22 VAL 24 0.299 7.425 -3.319 203 HG23 VAL 24 HG23 VAL 24 -0.051 6.331 -1.978 204 H ASP 25 H ASP 25 4.631 5.246 -5.532 205 HA ASP 25 HA ASP 25 2.906 3.816 -7.428 206 HB2 ASP 25 HB2 ASP 25 3.902 4.717 -9.363 207 HB3 ASP 25 HB3 ASP 25 3.654 6.104 -8.312 208 H GLY 26 H GLY 26 3.635 2.066 -8.579 209 HA2 GLY 26 HA3 GLY 26 5.962 0.810 -7.308 210 HA3 GLY 26 HA2 GLY 26 4.875 0.083 -8.449 211 H THR 27 H THR 27 7.824 0.741 -8.057 212 HA THR 27 HA THR 27 8.456 0.477 -10.861 213 HB THR 27 HB THR 27 9.715 2.488 -8.977 214 HG1 THR 27 HG1 THR 27 7.850 3.124 -10.287 215 HG21 THR 27 HG21 THR 27 10.721 1.590 -11.672 216 HG22 THR 27 HG22 THR 27 11.470 1.252 -10.109 217 HG23 THR 27 HG23 THR 27 11.386 2.911 -10.708 218 H ARG 28 H ARG 28 10.353 -1.107 -10.985 219 HA ARG 28 HA ARG 28 10.548 -2.216 -8.284 220 HB2 ARG 28 HB2 ARG 28 11.783 -4.105 -9.313 221 HB3 ARG 28 HB3 ARG 28 10.195 -3.871 -10.020 222 HG2 ARG 28 HG2 ARG 28 11.164 -2.863 -11.979 223 HG3 ARG 28 HG3 ARG 28 12.774 -2.932 -11.255 224 HD2 ARG 28 HD2 ARG 28 12.635 -5.376 -11.192 225 HD3 ARG 28 HD3 ARG 28 11.029 -5.304 -11.916 226 HE ARG 28 HE ARG 28 12.591 -3.968 -13.692 227 HH11 ARG 28 HH12 ARG 28 12.862 -7.115 -12.168 228 HH12 ARG 28 HH11 ARG 28 13.585 -7.866 -13.561 229 HH21 ARG 28 HH22 ARG 28 13.586 -4.945 -15.498 230 HH22 ARG 28 HH21 ARG 28 14.021 -6.627 -15.444 231 H ASP 29 H ASP 29 11.776 -1.118 -7.122 232 HA ASP 29 HA ASP 29 14.629 -1.197 -7.674 233 HB2 ASP 29 HB2 ASP 29 14.196 1.056 -8.284 234 HB3 ASP 29 HB3 ASP 29 13.077 1.283 -6.942 235 H ARG 30 H ARG 30 15.364 -2.441 -5.993 236 HA ARG 30 HA ARG 30 14.656 -1.356 -3.365 237 HB2 ARG 30 HB2 ARG 30 14.615 -3.414 -2.325 238 HB3 ARG 30 HB3 ARG 30 13.858 -3.778 -3.863 239 HG2 ARG 30 HG2 ARG 30 16.782 -4.255 -3.361 240 HG3 ARG 30 HG3 ARG 30 15.541 -5.456 -3.005 241 HD2 ARG 30 HD2 ARG 30 15.881 -4.193 -5.715 242 HD3 ARG 30 HD3 ARG 30 16.702 -5.678 -5.236 243 HE ARG 30 HE ARG 30 13.828 -5.710 -4.885 244 HH11 ARG 30 HH12 ARG 30 16.545 -6.485 -6.967 245 HH12 ARG 30 HH11 ARG 30 15.633 -7.604 -7.942 246 HH21 ARG 30 HH22 ARG 30 12.642 -7.194 -6.155 247 HH22 ARG 30 HH21 ARG 30 13.415 -8.003 -7.482 248 H SER 31 H SER 31 16.682 -0.831 -5.448 249 HA SER 31 HA SER 31 19.184 -1.584 -4.174 250 HB2 SER 31 HB2 SER 31 18.736 0.127 -6.632 251 HB3 SER 31 HB3 SER 31 20.244 -0.637 -6.128 252 HG SER 31 HG SER 31 18.567 -1.646 -7.767 253 H ASP 32 H ASP 32 16.926 1.024 -4.279 254 HA ASP 32 HA ASP 32 18.875 2.699 -2.827 255 HB2 ASP 32 HB2 ASP 32 17.866 3.492 -5.139 256 HB3 ASP 32 HB3 ASP 32 16.449 3.858 -4.162 257 H GLN 33 H GLN 33 17.280 4.443 -1.624 258 HA GLN 33 HA GLN 33 15.627 2.693 0.046 259 HB2 GLN 33 HB2 GLN 33 16.057 4.296 1.872 260 HB3 GLN 33 HB3 GLN 33 17.507 3.532 1.236 261 HG2 GLN 33 HG2 GLN 33 18.122 5.516 0.060 262 HG3 GLN 33 HG3 GLN 33 16.588 6.289 0.466 263 HE21 GLN 33 HE21 GLN 33 16.232 6.988 2.569 264 HE22 GLN 33 HE22 GLN 33 17.522 7.215 3.701 265 H HIS 34 H HIS 34 14.111 3.245 -1.878 266 HA HIS 34 HA HIS 34 12.567 5.640 -1.128 267 HB2 HIS 34 HB2 HIS 34 12.857 4.188 -3.741 268 HB3 HIS 34 HB3 HIS 34 11.436 5.170 -3.427 269 HD1 HIS 34 HD1 HIS 34 11.639 7.619 -3.894 270 HD2 HIS 34 HD2 HIS 34 15.344 5.734 -3.701 271 HE1 HIS 34 HE1 HIS 34 13.307 9.320 -4.682 272 HE2 HIS 34 HE2 HIS 34 15.547 8.193 -4.483 273 H ILE 35 H ILE 35 12.524 2.194 -1.278 274 HA ILE 35 HA ILE 35 9.624 2.071 -1.385 275 HB ILE 35 HB ILE 35 9.796 -0.246 -1.786 276 HG12 ILE 35 HG12 ILE 35 11.557 -0.773 -0.084 277 HG13 ILE 35 HG13 ILE 35 11.816 -1.566 -1.629 278 HG21 ILE 35 HG21 ILE 35 12.070 1.114 -3.221 279 HG22 ILE 35 HG22 ILE 35 11.185 -0.311 -3.768 280 HG23 ILE 35 HG23 ILE 35 10.360 1.243 -3.643 281 HD11 ILE 35 HD11 ILE 35 13.461 0.247 -2.168 282 HD12 ILE 35 HD12 ILE 35 13.303 0.786 -0.496 283 HD13 ILE 35 HD13 ILE 35 13.921 -0.829 -0.849 284 H GLN 36 H GLN 36 11.064 2.952 1.216 285 HA GLN 36 HA GLN 36 10.344 0.611 2.840 286 HB2 GLN 36 HB2 GLN 36 11.778 1.403 4.563 287 HB3 GLN 36 HB3 GLN 36 12.657 1.527 3.050 288 HG2 GLN 36 HG2 GLN 36 11.470 4.027 3.335 289 HG3 GLN 36 HG3 GLN 36 11.951 3.566 4.972 290 HE21 GLN 36 HE21 GLN 36 13.654 2.389 2.180 291 HE22 GLN 36 HE22 GLN 36 15.103 3.295 2.446 292 H LEU 37 H LEU 37 8.217 0.751 3.166 293 HA LEU 37 HA LEU 37 7.334 3.088 4.705 294 HB2 LEU 37 HB2 LEU 37 5.044 2.542 4.052 295 HB3 LEU 37 HB3 LEU 37 6.051 2.939 2.677 296 HG LEU 37 HG LEU 37 5.657 0.059 3.376 297 HD11 LEU 37 HD11 LEU 37 3.404 1.014 3.401 298 HD12 LEU 37 HD12 LEU 37 3.698 1.759 1.831 299 HD13 LEU 37 HD13 LEU 37 3.648 0.002 1.977 300 HD21 LEU 37 HD21 LEU 37 7.252 0.690 1.632 301 HD22 LEU 37 HD22 LEU 37 5.884 -0.194 0.956 302 HD23 LEU 37 HD23 LEU 37 5.979 1.558 0.776 303 H GLN 38 H GLN 38 6.203 2.718 6.587 304 HA GLN 38 HA GLN 38 6.882 0.179 7.814 305 HB2 GLN 38 HB2 GLN 38 7.468 2.339 8.882 306 HB3 GLN 38 HB3 GLN 38 5.753 2.732 8.971 307 HG2 GLN 38 HG2 GLN 38 6.658 1.946 11.093 308 HG3 GLN 38 HG3 GLN 38 5.348 0.930 10.495 309 HE21 GLN 38 HE21 GLN 38 5.945 -0.862 11.650 310 HE22 GLN 38 HE22 GLN 38 7.375 -1.771 11.308 311 H LEU 39 H LEU 39 5.428 -1.364 7.507 312 HA LEU 39 HA LEU 39 2.576 -0.674 7.485 313 HB2 LEU 39 HB2 LEU 39 4.198 -2.787 6.131 314 HB3 LEU 39 HB3 LEU 39 2.498 -3.068 6.437 315 HG LEU 39 HG LEU 39 3.530 -0.698 4.890 316 HD11 LEU 39 HD11 LEU 39 4.128 -2.749 3.722 317 HD12 LEU 39 HD12 LEU 39 2.474 -3.339 3.881 318 HD13 LEU 39 HD13 LEU 39 2.812 -1.921 2.888 319 HD21 LEU 39 HD21 LEU 39 0.784 -1.922 5.131 320 HD22 LEU 39 HD22 LEU 39 1.319 -0.444 5.932 321 HD23 LEU 39 HD23 LEU 39 1.216 -0.507 4.172 322 H SER 40 H SER 40 2.107 -0.812 9.612 323 HA SER 40 HA SER 40 2.530 -3.420 10.894 324 HB2 SER 40 HB2 SER 40 1.870 -0.769 12.206 325 HB3 SER 40 HB3 SER 40 2.266 -2.282 13.026 326 HG SER 40 HG SER 40 4.300 -1.850 12.773 327 H ALA 41 H ALA 41 0.735 -4.060 12.349 328 HA ALA 41 HA ALA 41 -1.881 -3.063 11.433 329 HB1 ALA 41 HB1 ALA 41 -1.172 -5.652 12.832 330 HB2 ALA 41 HB2 ALA 41 -2.807 -5.137 12.417 331 HB3 ALA 41 HB3 ALA 41 -1.640 -5.478 11.140 332 H GLU 42 H GLU 42 -2.390 -1.431 12.743 333 HA GLU 42 HA GLU 42 -0.914 -1.280 15.265 334 HB2 GLU 42 HB2 GLU 42 -0.834 0.496 13.360 335 HB3 GLU 42 HB3 GLU 42 -2.383 1.017 13.996 336 HG2 GLU 42 HG2 GLU 42 -0.689 2.402 14.929 337 HG3 GLU 42 HG3 GLU 42 -1.310 1.361 16.206 338 H SER 43 H SER 43 -4.123 -0.728 13.898 339 HA SER 43 HA SER 43 -5.234 -1.291 16.549 340 HB2 SER 43 HB2 SER 43 -6.591 -0.033 14.149 341 HB3 SER 43 HB3 SER 43 -7.210 -0.124 15.795 342 HG SER 43 HG SER 43 -4.969 1.047 16.111 343 H VAL 44 H VAL 44 -6.720 -3.040 16.670 344 HA VAL 44 HA VAL 44 -5.982 -5.159 14.993 345 HB VAL 44 HB VAL 44 -8.443 -4.989 16.734 346 HG11 VAL 44 HG11 VAL 44 -8.311 -7.438 16.754 347 HG12 VAL 44 HG12 VAL 44 -8.573 -6.805 15.127 348 HG13 VAL 44 HG13 VAL 44 -6.971 -7.364 15.609 349 HG21 VAL 44 HG21 VAL 44 -6.407 -4.551 18.004 350 HG22 VAL 44 HG22 VAL 44 -7.073 -6.130 18.422 351 HG23 VAL 44 HG23 VAL 44 -5.674 -6.017 17.354 352 H GLY 45 H GLY 45 -6.470 -5.499 13.002 353 HA2 GLY 45 HA3 GLY 45 -8.069 -6.033 11.289 354 HA3 GLY 45 HA2 GLY 45 -9.174 -4.873 12.018 355 H GLU 46 H GLU 46 -7.240 -2.803 12.393 356 HA GLU 46 HA GLU 46 -7.079 -1.789 9.695 357 HB2 GLU 46 HB2 GLU 46 -5.721 -0.236 11.767 358 HB3 GLU 46 HB3 GLU 46 -6.900 0.274 10.573 359 HG2 GLU 46 HG2 GLU 46 -7.539 -1.191 13.097 360 HG3 GLU 46 HG3 GLU 46 -7.645 0.555 12.895 361 H VAL 47 H VAL 47 -5.374 -1.521 8.486 362 HA VAL 47 HA VAL 47 -2.738 -2.126 9.619 363 HB VAL 47 HB VAL 47 -1.917 -2.294 7.278 364 HG11 VAL 47 HG11 VAL 47 -2.821 -4.545 6.884 365 HG12 VAL 47 HG12 VAL 47 -2.401 -4.284 8.578 366 HG13 VAL 47 HG13 VAL 47 -4.089 -4.231 8.071 367 HG21 VAL 47 HG21 VAL 47 -4.858 -2.246 6.601 368 HG22 VAL 47 HG22 VAL 47 -3.654 -1.043 6.140 369 HG23 VAL 47 HG23 VAL 47 -3.564 -2.677 5.482 370 H TYR 48 H TYR 48 -1.083 -0.663 9.303 371 HA TYR 48 HA TYR 48 -2.110 2.043 8.731 372 HB2 TYR 48 HB2 TYR 48 -1.690 1.415 11.189 373 HB3 TYR 48 HB3 TYR 48 0.017 1.385 10.777 374 HD1 TYR 48 HD1 TYR 48 -1.796 3.884 8.958 375 HD2 TYR 48 HD2 TYR 48 0.099 3.081 12.682 376 HE1 TYR 48 HE1 TYR 48 -1.673 6.298 9.411 377 HE2 TYR 48 HE2 TYR 48 0.227 5.493 13.143 378 HH TYR 48 HH TYR 48 -1.492 7.801 11.353 379 H ILE 49 H ILE 49 -1.082 3.014 7.168 380 HA ILE 49 HA ILE 49 1.441 1.884 6.218 381 HB ILE 49 HB ILE 49 -0.527 3.721 4.825 382 HG12 ILE 49 HG12 ILE 49 -0.677 1.790 3.207 383 HG13 ILE 49 HG13 ILE 49 0.259 0.834 4.347 384 HG21 ILE 49 HG21 ILE 49 0.926 3.507 2.855 385 HG22 ILE 49 HG22 ILE 49 1.745 4.307 4.197 386 HG23 ILE 49 HG23 ILE 49 2.099 2.618 3.828 387 HD11 ILE 49 HD11 ILE 49 -1.513 1.064 6.000 388 HD12 ILE 49 HD12 ILE 49 -2.445 2.045 4.869 389 HD13 ILE 49 HD13 ILE 49 -2.116 0.351 4.502 390 H LYS 50 H LYS 50 3.034 2.805 7.257 391 HA LYS 50 HA LYS 50 2.933 5.706 7.679 392 HB2 LYS 50 HB2 LYS 50 4.580 3.635 9.146 393 HB3 LYS 50 HB3 LYS 50 4.555 5.359 9.486 394 HG2 LYS 50 HG2 LYS 50 2.102 5.118 9.975 395 HG3 LYS 50 HG3 LYS 50 2.340 3.372 9.881 396 HD2 LYS 50 HD2 LYS 50 2.532 3.827 12.159 397 HD3 LYS 50 HD3 LYS 50 4.207 3.742 11.613 398 HE2 LYS 50 HE2 LYS 50 2.681 6.327 11.831 399 HE3 LYS 50 HE3 LYS 50 3.617 5.660 13.164 400 HZ1 LYS 50 HZ1 LYS 50 4.788 6.248 10.502 401 HZ2 LYS 50 HZ2 LYS 50 5.611 5.908 11.939 402 HZ3 LYS 50 HZ3 LYS 50 4.770 7.366 11.768 403 H SER 51 H SER 51 4.671 6.957 7.119 404 HA SER 51 HA SER 51 6.674 5.914 5.387 405 HB2 SER 51 HB2 SER 51 7.516 8.275 5.601 406 HB3 SER 51 HB3 SER 51 5.817 8.193 5.131 407 HG SER 51 HG SER 51 6.902 9.341 7.297 408 H THR 52 H THR 52 8.452 4.903 6.106 409 HA THR 52 HA THR 52 9.433 5.339 8.757 410 HB THR 52 HB THR 52 10.944 4.241 6.366 411 HG1 THR 52 HG1 THR 52 9.313 2.879 8.280 412 HG21 THR 52 HG21 THR 52 11.289 3.803 9.334 413 HG22 THR 52 HG22 THR 52 12.329 4.792 8.312 414 HG23 THR 52 HG23 THR 52 12.248 3.048 8.061 415 H GLU 53 H GLU 53 11.801 5.717 6.279 416 HA GLU 53 HA GLU 53 11.960 8.559 6.942 417 HB2 GLU 53 HB2 GLU 53 14.035 7.164 6.808 418 HB3 GLU 53 HB3 GLU 53 13.735 6.960 5.087 419 HG2 GLU 53 HG2 GLU 53 15.379 8.680 5.437 420 HG3 GLU 53 HG3 GLU 53 13.901 9.386 4.782 421 H THR 54 H THR 54 11.519 6.454 4.159 422 HA THR 54 HA THR 54 10.588 8.732 2.552 423 HB THR 54 HB THR 54 12.674 7.637 1.788 424 HG1 THR 54 HG1 THR 54 10.351 7.520 0.165 425 HG21 THR 54 HG21 THR 54 12.169 5.372 2.530 426 HG22 THR 54 HG22 THR 54 12.557 5.406 0.810 427 HG23 THR 54 HG23 THR 54 10.880 5.261 1.333 428 H GLY 55 H GLY 55 8.694 6.977 4.279 429 HA2 GLY 55 HA3 GLY 55 8.099 4.871 2.357 430 HA3 GLY 55 HA2 GLY 55 7.621 4.879 4.033 431 H GLN 56 H GLN 56 6.278 7.589 3.695 432 HA GLN 56 HA GLN 56 4.902 8.138 1.467 433 HB2 GLN 56 HB2 GLN 56 3.862 5.637 2.409 434 HB3 GLN 56 HB3 GLN 56 2.593 6.856 2.446 435 HG2 GLN 56 HG2 GLN 56 4.329 6.316 0.053 436 HG3 GLN 56 HG3 GLN 56 2.739 5.592 0.313 437 HE21 GLN 56 HE21 GLN 56 3.789 7.546 -1.722 438 HE22 GLN 56 HE22 GLN 56 2.662 8.867 -1.632 439 H TYR 57 H TYR 57 3.549 9.872 1.619 440 HA TYR 57 HA TYR 57 2.462 10.546 4.284 441 HB2 TYR 57 HB2 TYR 57 3.567 12.392 2.780 442 HB3 TYR 57 HB3 TYR 57 2.095 12.251 1.828 443 HD1 TYR 57 HD1 TYR 57 -0.151 12.437 3.266 444 HD2 TYR 57 HD2 TYR 57 3.612 14.077 4.378 445 HE1 TYR 57 HE1 TYR 57 -1.289 14.060 4.722 446 HE2 TYR 57 HE2 TYR 57 2.485 15.702 5.831 447 HH TYR 57 HH TYR 57 0.278 16.776 6.028 448 H LEU 58 H LEU 58 1.215 8.460 3.776 449 HA LEU 58 HA LEU 58 -0.319 8.649 1.386 450 HB2 LEU 58 HB2 LEU 58 0.591 6.522 2.923 451 HB3 LEU 58 HB3 LEU 58 -1.167 6.436 3.007 452 HG LEU 58 HG LEU 58 0.292 6.793 0.402 453 HD11 LEU 58 HD11 LEU 58 0.028 4.378 0.036 454 HD12 LEU 58 HD12 LEU 58 1.082 4.709 1.411 455 HD13 LEU 58 HD13 LEU 58 -0.583 4.195 1.681 456 HD21 LEU 58 HD21 LEU 58 -2.472 5.800 1.092 457 HD22 LEU 58 HD22 LEU 58 -2.064 7.376 0.414 458 HD23 LEU 58 HD23 LEU 58 -1.794 5.912 -0.532 459 H ALA 59 H ALA 59 -2.013 9.488 1.073 460 HA ALA 59 HA ALA 59 -3.995 9.895 3.185 461 HB1 ALA 59 HB1 ALA 59 -2.645 11.927 3.028 462 HB2 ALA 59 HB2 ALA 59 -2.931 11.998 1.290 463 HB3 ALA 59 HB3 ALA 59 -4.274 12.221 2.413 464 H MET 60 H MET 60 -5.718 8.832 2.464 465 HA MET 60 HA MET 60 -6.204 8.523 -0.369 466 HB2 MET 60 HB2 MET 60 -6.527 6.763 1.461 467 HB3 MET 60 HB3 MET 60 -7.952 7.672 1.938 468 HG2 MET 60 HG2 MET 60 -9.006 7.269 -0.147 469 HG3 MET 60 HG3 MET 60 -7.535 6.557 -0.812 470 HE1 MET 60 HE1 MET 60 -10.271 5.074 -1.037 471 HE2 MET 60 HE2 MET 60 -8.730 4.426 -1.600 472 HE3 MET 60 HE3 MET 60 -9.789 3.438 -0.592 473 H ASP 61 H ASP 61 -7.794 9.642 -1.528 474 HA ASP 61 HA ASP 61 -8.904 11.881 -0.015 475 HB2 ASP 61 HB2 ASP 61 -8.672 13.265 -1.848 476 HB3 ASP 61 HB3 ASP 61 -7.190 12.342 -1.874 477 H THR 62 H THR 62 -10.892 11.698 0.382 478 HA THR 62 HA THR 62 -12.972 11.087 0.508 479 HB THR 62 HB THR 62 -14.344 10.890 -1.393 480 HG1 THR 62 HG1 THR 62 -11.994 10.762 -2.991 481 HG21 THR 62 HG21 THR 62 -13.830 12.962 -2.615 482 HG22 THR 62 HG22 THR 62 -12.228 12.959 -1.878 483 HG23 THR 62 HG23 THR 62 -13.663 13.136 -0.868 484 H ASP 63 H ASP 63 -11.607 9.049 -2.013 485 HA ASP 63 HA ASP 63 -10.798 6.867 -0.618 486 HB2 ASP 63 HB2 ASP 63 -13.266 7.076 0.098 487 HB3 ASP 63 HB3 ASP 63 -13.612 6.228 -1.403 488 H GLY 64 H GLY 64 -11.004 8.374 -3.305 489 HA2 GLY 64 HA3 GLY 64 -11.492 6.106 -5.115 490 HA3 GLY 64 HA2 GLY 64 -11.513 7.801 -5.582 491 H LEU 65 H LEU 65 -9.100 8.474 -4.223 492 HA LEU 65 HA LEU 65 -7.033 6.827 -5.474 493 HB2 LEU 65 HB2 LEU 65 -6.898 9.825 -5.690 494 HB3 LEU 65 HB3 LEU 65 -5.930 8.621 -6.529 495 HG LEU 65 HG LEU 65 -8.867 9.063 -7.065 496 HD11 LEU 65 HD11 LEU 65 -6.470 10.145 -8.537 497 HD12 LEU 65 HD12 LEU 65 -8.148 10.278 -9.061 498 HD13 LEU 65 HD13 LEU 65 -7.619 11.086 -7.586 499 HD21 LEU 65 HD21 LEU 65 -8.058 6.866 -7.717 500 HD22 LEU 65 HD22 LEU 65 -8.378 7.854 -9.142 501 HD23 LEU 65 HD23 LEU 65 -6.718 7.605 -8.597 502 H LEU 66 H LEU 66 -4.881 7.333 -4.545 503 HA LEU 66 HA LEU 66 -4.992 8.808 -2.023 504 HB2 LEU 66 HB2 LEU 66 -3.441 6.597 -1.410 505 HB3 LEU 66 HB3 LEU 66 -5.080 6.921 -0.859 506 HG LEU 66 HG LEU 66 -5.694 5.849 -3.189 507 HD11 LEU 66 HD11 LEU 66 -4.224 4.089 -3.859 508 HD12 LEU 66 HD12 LEU 66 -3.338 5.613 -3.852 509 HD13 LEU 66 HD13 LEU 66 -3.114 4.463 -2.534 510 HD21 LEU 66 HD21 LEU 66 -4.880 4.122 -0.867 511 HD22 LEU 66 HD22 LEU 66 -6.365 5.075 -0.933 512 HD23 LEU 66 HD23 LEU 66 -6.101 3.780 -2.101 513 H TYR 67 H TYR 67 -3.355 10.150 -1.837 514 HA TYR 67 HA TYR 67 -0.914 9.599 -3.363 515 HB2 TYR 67 HB2 TYR 67 -0.850 11.935 -4.057 516 HB3 TYR 67 HB3 TYR 67 -2.392 11.226 -4.528 517 HD1 TYR 67 HD1 TYR 67 -4.420 11.677 -3.023 518 HD2 TYR 67 HD2 TYR 67 -0.802 13.910 -2.783 519 HE1 TYR 67 HE1 TYR 67 -5.621 13.497 -1.885 520 HE2 TYR 67 HE2 TYR 67 -1.996 15.731 -1.641 521 HH TYR 67 HH TYR 67 -4.433 16.570 -1.569 522 H GLY 68 H GLY 68 0.986 10.262 -2.370 523 HA2 GLY 68 HA3 GLY 68 1.018 11.966 -0.082 524 HA3 GLY 68 HA2 GLY 68 1.214 10.275 0.371 525 H SER 69 H SER 69 3.296 12.104 0.863 526 HA SER 69 HA SER 69 5.148 10.317 -0.453 527 HB2 SER 69 HB2 SER 69 5.867 13.235 -0.221 528 HB3 SER 69 HB3 SER 69 6.763 11.971 -1.060 529 HG SER 69 HG SER 69 4.473 11.863 -2.175 530 H GLN 70 H GLN 70 5.121 12.935 2.030 531 HA GLN 70 HA GLN 70 7.523 11.745 3.154 532 HB2 GLN 70 HB2 GLN 70 6.167 14.361 3.464 533 HB3 GLN 70 HB3 GLN 70 7.293 13.838 4.710 534 HG2 GLN 70 HG2 GLN 70 7.946 14.020 1.779 535 HG3 GLN 70 HG3 GLN 70 8.328 15.255 2.979 536 HE21 GLN 70 HE21 GLN 70 10.113 13.671 1.276 537 HE22 GLN 70 HE22 GLN 70 11.180 12.843 2.358 538 H THR 71 H THR 71 4.229 12.214 4.372 539 HA THR 71 HA THR 71 5.110 11.095 6.967 540 HB THR 71 HB THR 71 3.589 13.686 6.617 541 HG1 THR 71 HG1 THR 71 6.179 13.152 6.687 542 HG21 THR 71 HG21 THR 71 2.760 12.478 8.579 543 HG22 THR 71 HG22 THR 71 3.693 13.896 9.057 544 HG23 THR 71 HG23 THR 71 4.411 12.288 9.167 545 HA PRO 72 HA PRO 72 1.129 9.240 6.395 546 HB2 PRO 72 HB2 PRO 72 1.342 7.288 8.183 547 HB3 PRO 72 HB3 PRO 72 2.482 7.406 6.836 548 HG2 PRO 72 HG2 PRO 72 2.916 7.969 9.707 549 HG3 PRO 72 HG3 PRO 72 4.095 7.543 8.458 550 HD2 PRO 72 HD2 PRO 72 3.390 10.175 9.456 551 HD3 PRO 72 HD3 PRO 72 4.661 9.734 8.294 552 H ASN 73 H ASN 73 -0.588 10.406 6.930 553 HA ASN 73 HA ASN 73 -1.273 10.944 9.745 554 HB2 ASN 73 HB2 ASN 73 -2.399 11.933 7.101 555 HB3 ASN 73 HB3 ASN 73 -3.163 12.276 8.647 556 HD21 ASN 73 HD21 ASN 73 0.291 12.146 8.474 557 HD22 ASN 73 HD22 ASN 73 0.565 13.849 8.599 558 H GLU 74 H GLU 74 -3.968 10.464 10.011 559 HA GLU 74 HA GLU 74 -4.074 7.983 8.440 560 HB2 GLU 74 HB2 GLU 74 -6.065 7.409 9.882 561 HB3 GLU 74 HB3 GLU 74 -4.527 7.494 10.725 562 HG2 GLU 74 HG2 GLU 74 -5.103 9.720 11.550 563 HG3 GLU 74 HG3 GLU 74 -6.650 9.625 10.709 564 H GLU 75 H GLU 75 -4.390 8.909 6.675 565 HA GLU 75 HA GLU 75 -7.225 8.800 6.013 566 HB2 GLU 75 HB2 GLU 75 -4.852 9.963 4.553 567 HB3 GLU 75 HB3 GLU 75 -6.406 9.675 3.773 568 HG2 GLU 75 HG2 GLU 75 -6.177 11.415 6.199 569 HG3 GLU 75 HG3 GLU 75 -5.877 12.045 4.579 570 H CYS 76 H CYS 76 -3.986 7.635 6.082 571 HA CYS 76 HA CYS 76 -4.186 5.846 3.862 572 HB2 CYS 76 HB2 CYS 76 -1.977 5.104 4.539 573 HB3 CYS 76 HB3 CYS 76 -2.065 6.860 4.642 574 HG CYS 76 HG CYS 76 -0.522 5.751 6.750 575 H LEU 77 H LEU 77 -5.758 5.622 6.716 576 HA LEU 77 HA LEU 77 -4.966 3.075 7.691 577 HB2 LEU 77 HB2 LEU 77 -7.378 4.802 8.184 578 HB3 LEU 77 HB3 LEU 77 -7.248 3.196 8.870 579 HG LEU 77 HG LEU 77 -5.392 5.514 9.408 580 HD11 LEU 77 HD11 LEU 77 -6.326 5.399 11.665 581 HD12 LEU 77 HD12 LEU 77 -7.578 5.731 10.467 582 HD13 LEU 77 HD13 LEU 77 -7.417 4.112 11.150 583 HD21 LEU 77 HD21 LEU 77 -4.368 4.031 11.072 584 HD22 LEU 77 HD22 LEU 77 -5.383 2.705 10.507 585 HD23 LEU 77 HD23 LEU 77 -4.174 3.407 9.434 586 H PHE 78 H PHE 78 -5.445 1.155 6.877 587 HA PHE 78 HA PHE 78 -7.817 0.973 5.198 588 HB2 PHE 78 HB2 PHE 78 -5.134 -0.354 4.769 589 HB3 PHE 78 HB3 PHE 78 -6.571 -0.676 3.825 590 HD1 PHE 78 HD2 PHE 78 -7.631 2.082 3.495 591 HD2 PHE 78 HD1 PHE 78 -3.667 0.564 3.229 592 HE1 PHE 78 HE2 PHE 78 -7.028 3.937 2.000 593 HE2 PHE 78 HE1 PHE 78 -3.055 2.420 1.734 594 HZ PHE 78 HZ PHE 78 -4.738 4.110 1.119 595 H LEU 79 H LEU 79 -8.689 -1.262 5.048 596 HA LEU 79 HA LEU 79 -8.362 -2.698 7.588 597 HB2 LEU 79 HB2 LEU 79 -10.648 -2.096 6.988 598 HB3 LEU 79 HB3 LEU 79 -10.482 -2.903 5.444 599 HG LEU 79 HG LEU 79 -10.188 -4.501 7.967 600 HD11 LEU 79 HD11 LEU 79 -12.243 -3.217 8.268 601 HD12 LEU 79 HD12 LEU 79 -12.803 -3.727 6.675 602 HD13 LEU 79 HD13 LEU 79 -12.597 -4.917 7.960 603 HD21 LEU 79 HD21 LEU 79 -11.291 -5.122 5.225 604 HD22 LEU 79 HD22 LEU 79 -9.691 -5.565 5.819 605 HD23 LEU 79 HD23 LEU 79 -11.131 -6.266 6.558 606 H GLU 80 H GLU 80 -7.558 -4.714 7.679 607 HA GLU 80 HA GLU 80 -6.295 -5.677 5.206 608 HB2 GLU 80 HB2 GLU 80 -4.899 -5.399 7.220 609 HB3 GLU 80 HB3 GLU 80 -5.890 -6.589 8.058 610 HG2 GLU 80 HG2 GLU 80 -5.250 -8.191 6.187 611 HG3 GLU 80 HG3 GLU 80 -4.021 -7.006 5.753 612 H ARG 81 H ARG 81 -6.983 -7.385 4.114 613 HA ARG 81 HA ARG 81 -8.672 -9.387 5.438 614 HB2 ARG 81 HB2 ARG 81 -10.179 -8.001 4.147 615 HB3 ARG 81 HB3 ARG 81 -9.121 -8.069 2.748 616 HG2 ARG 81 HG2 ARG 81 -11.120 -9.477 2.520 617 HG3 ARG 81 HG3 ARG 81 -9.620 -10.394 2.416 618 HD2 ARG 81 HD2 ARG 81 -11.395 -11.499 3.767 619 HD3 ARG 81 HD3 ARG 81 -9.892 -11.221 4.644 620 HE ARG 81 HE ARG 81 -10.961 -9.617 5.959 621 HH11 ARG 81 HH12 ARG 81 -13.127 -10.947 3.538 622 HH12 ARG 81 HH11 ARG 81 -14.560 -10.357 4.322 623 HH21 ARG 81 HH22 ARG 81 -12.839 -8.859 7.002 624 HH22 ARG 81 HH21 ARG 81 -14.403 -9.186 6.308 625 H LEU 82 H LEU 82 -7.978 -11.451 5.016 626 HA LEU 82 HA LEU 82 -5.563 -11.568 3.367 627 HB2 LEU 82 HB2 LEU 82 -6.495 -13.280 5.655 628 HB3 LEU 82 HB3 LEU 82 -5.129 -13.707 4.643 629 HG LEU 82 HG LEU 82 -5.354 -11.240 6.371 630 HD11 LEU 82 HD11 LEU 82 -4.973 -13.284 7.642 631 HD12 LEU 82 HD12 LEU 82 -3.609 -13.687 6.598 632 HD13 LEU 82 HD13 LEU 82 -3.534 -12.264 7.639 633 HD21 LEU 82 HD21 LEU 82 -4.119 -10.764 4.327 634 HD22 LEU 82 HD22 LEU 82 -3.029 -10.821 5.713 635 HD23 LEU 82 HD23 LEU 82 -3.106 -12.182 4.594 636 H GLU 83 H GLU 83 -5.504 -12.618 1.558 637 HA GLU 83 HA GLU 83 -7.682 -14.394 0.791 638 HB2 GLU 83 HB2 GLU 83 -6.251 -12.546 -0.621 639 HB3 GLU 83 HB3 GLU 83 -5.367 -14.011 -1.016 640 HG2 GLU 83 HG2 GLU 83 -8.304 -13.522 -1.453 641 HG3 GLU 83 HG3 GLU 83 -7.046 -13.558 -2.688 642 H GLU 84 H GLU 84 -7.267 -16.612 0.216 643 HA GLU 84 HA GLU 84 -5.164 -17.620 1.973 644 HB2 GLU 84 HB2 GLU 84 -7.633 -18.926 0.847 645 HB3 GLU 84 HB3 GLU 84 -6.434 -19.779 1.813 646 HG2 GLU 84 HG2 GLU 84 -6.817 -18.189 3.649 647 HG3 GLU 84 HG3 GLU 84 -8.071 -17.410 2.688 648 H ASN 85 H ASN 85 -5.436 -17.023 -1.250 649 HA ASN 85 HA ASN 85 -3.814 -19.327 -2.011 650 HB2 ASN 85 HB2 ASN 85 -5.609 -18.448 -3.544 651 HB3 ASN 85 HB3 ASN 85 -4.644 -16.990 -3.746 652 HD21 ASN 85 HD21 ASN 85 -4.346 -17.278 -5.921 653 HD22 ASN 85 HD22 ASN 85 -3.341 -18.526 -6.577 654 H HIS 86 H HIS 86 -2.766 -17.684 -0.075 655 HA HIS 86 HA HIS 86 -0.800 -16.744 0.572 656 HB2 HIS 86 HB2 HIS 86 0.063 -17.514 -2.220 657 HB3 HIS 86 HB3 HIS 86 1.150 -16.848 -1.009 658 HD1 HIS 86 HD1 HIS 86 2.144 -18.445 0.646 659 HD2 HIS 86 HD2 HIS 86 -0.967 -20.126 -1.546 660 HE1 HIS 86 HE1 HIS 86 2.156 -20.896 1.212 661 HE2 HIS 86 HE2 HIS 86 0.402 -21.918 -0.281 662 H TYR 87 H TYR 87 -2.801 -14.993 -0.275 663 HA TYR 87 HA TYR 87 -1.138 -12.752 -1.167 664 HB2 TYR 87 HB2 TYR 87 -3.858 -13.457 -2.279 665 HB3 TYR 87 HB3 TYR 87 -3.106 -11.881 -2.484 666 HD1 TYR 87 HD1 TYR 87 -0.609 -12.019 -3.454 667 HD2 TYR 87 HD2 TYR 87 -3.620 -14.977 -3.993 668 HE1 TYR 87 HE1 TYR 87 0.554 -12.829 -5.464 669 HE2 TYR 87 HE2 TYR 87 -2.464 -15.794 -6.003 670 HH TYR 87 HH TYR 87 0.721 -14.810 -6.832 671 H ASN 88 H ASN 88 -1.974 -10.666 -0.557 672 HA ASN 88 HA ASN 88 -3.956 -10.764 1.622 673 HB2 ASN 88 HB2 ASN 88 -2.692 -8.573 2.299 674 HB3 ASN 88 HB3 ASN 88 -2.067 -10.140 2.797 675 HD21 ASN 88 HD21 ASN 88 -0.311 -11.013 1.637 676 HD22 ASN 88 HD22 ASN 88 0.776 -9.988 0.777 677 H THR 89 H THR 89 -5.393 -9.115 1.749 678 HA THR 89 HA THR 89 -5.623 -7.410 -0.627 679 HB THR 89 HB THR 89 -8.021 -8.590 0.783 680 HG1 THR 89 HG1 THR 89 -6.310 -9.779 -1.143 681 HG21 THR 89 HG21 THR 89 -7.499 -7.585 -2.028 682 HG22 THR 89 HG22 THR 89 -8.379 -6.721 -0.764 683 HG23 THR 89 HG23 THR 89 -9.042 -8.209 -1.443 684 H TYR 90 H TYR 90 -7.011 -5.454 -0.150 685 HA TYR 90 HA TYR 90 -7.234 -4.860 2.697 686 HB2 TYR 90 HB2 TYR 90 -5.690 -3.145 0.739 687 HB3 TYR 90 HB3 TYR 90 -6.192 -2.603 2.335 688 HD1 TYR 90 HD1 TYR 90 -5.452 -4.228 4.306 689 HD2 TYR 90 HD2 TYR 90 -3.550 -3.995 0.511 690 HE1 TYR 90 HE1 TYR 90 -3.409 -5.185 5.278 691 HE2 TYR 90 HE2 TYR 90 -1.501 -4.954 1.474 692 HH TYR 90 HH TYR 90 -1.403 -6.488 4.435 693 H ILE 91 H ILE 91 -8.841 -3.497 3.236 694 HA ILE 91 HA ILE 91 -10.560 -2.517 1.059 695 HB ILE 91 HB ILE 91 -11.230 -4.005 3.362 696 HG12 ILE 91 HG12 ILE 91 -12.995 -2.433 1.494 697 HG13 ILE 91 HG13 ILE 91 -12.307 -4.016 1.134 698 HG21 ILE 91 HG21 ILE 91 -12.336 -1.200 3.532 699 HG22 ILE 91 HG22 ILE 91 -12.863 -2.578 4.500 700 HG23 ILE 91 HG23 ILE 91 -11.226 -1.947 4.682 701 HD11 ILE 91 HD11 ILE 91 -14.633 -4.195 1.807 702 HD12 ILE 91 HD12 ILE 91 -13.579 -4.981 2.985 703 HD13 ILE 91 HD13 ILE 91 -14.264 -3.396 3.336 704 H SER 92 H SER 92 -11.536 -0.392 1.356 705 HA SER 92 HA SER 92 -9.515 1.413 2.381 706 HB2 SER 92 HB2 SER 92 -10.995 3.130 1.218 707 HB3 SER 92 HB3 SER 92 -10.214 1.940 0.180 708 HG SER 92 HG SER 92 -12.618 2.457 0.004 709 H LYS 93 H LYS 93 -9.677 1.744 4.424 710 HA LYS 93 HA LYS 93 -12.083 1.374 5.887 711 HB2 LYS 93 HB2 LYS 93 -9.486 1.087 6.433 712 HB3 LYS 93 HB3 LYS 93 -9.705 2.702 7.083 713 HG2 LYS 93 HG2 LYS 93 -9.903 0.836 8.718 714 HG3 LYS 93 HG3 LYS 93 -11.281 1.951 8.657 715 HD2 LYS 93 HD2 LYS 93 -12.617 0.375 7.529 716 HD3 LYS 93 HD3 LYS 93 -11.227 -0.627 7.114 717 HE2 LYS 93 HE2 LYS 93 -12.155 -0.161 9.946 718 HE3 LYS 93 HE3 LYS 93 -12.683 -1.527 8.961 719 HZ1 LYS 93 HZ1 LYS 93 -10.901 -2.298 10.237 720 HZ2 LYS 93 HZ2 LYS 93 -9.979 -0.901 9.970 721 HZ3 LYS 93 HZ3 LYS 93 -10.224 -2.009 8.711 722 H LYS 94 H LYS 94 -10.981 3.961 4.127 723 HA LYS 94 HA LYS 94 -11.962 6.116 5.720 724 HB2 LYS 94 HB2 LYS 94 -10.320 6.426 3.832 725 HB3 LYS 94 HB3 LYS 94 -11.609 6.072 2.696 726 HG2 LYS 94 HG2 LYS 94 -11.291 8.437 2.815 727 HG3 LYS 94 HG3 LYS 94 -12.854 8.014 3.533 728 HD2 LYS 94 HD2 LYS 94 -11.840 8.108 5.781 729 HD3 LYS 94 HD3 LYS 94 -10.312 8.603 5.054 730 HE2 LYS 94 HE2 LYS 94 -12.843 10.147 4.600 731 HE3 LYS 94 HE3 LYS 94 -11.841 10.419 6.024 732 HZ1 LYS 94 HZ1 LYS 94 -11.323 11.953 4.223 733 HZ2 LYS 94 HZ2 LYS 94 -10.904 10.657 3.217 734 HZ3 LYS 94 HZ3 LYS 94 -9.992 10.976 4.608 735 H HIS 95 H HIS 95 -13.233 4.878 2.621 736 HA HIS 95 HA HIS 95 -15.929 5.074 3.728 737 HB2 HIS 95 HB2 HIS 95 -14.871 4.518 0.979 738 HB3 HIS 95 HB3 HIS 95 -16.541 4.136 1.388 739 HD1 HIS 95 HD1 HIS 95 -14.191 7.103 1.370 740 HD2 HIS 95 HD2 HIS 95 -18.249 6.240 1.166 741 HE1 HIS 95 HE1 HIS 95 -15.325 9.297 1.000 742 HE2 HIS 95 HE2 HIS 95 -17.793 8.781 0.950 743 H ALA 96 H ALA 96 -14.477 3.293 5.145 744 HA ALA 96 HA ALA 96 -14.273 0.680 4.395 745 HB1 ALA 96 HB1 ALA 96 -15.255 1.652 7.072 746 HB2 ALA 96 HB2 ALA 96 -14.531 0.079 6.736 747 HB3 ALA 96 HB3 ALA 96 -13.568 1.547 6.570 748 H GLU 97 H GLU 97 -17.195 2.215 5.707 749 HA GLU 97 HA GLU 97 -18.624 -0.267 5.723 750 HB2 GLU 97 HB2 GLU 97 -18.893 1.815 7.263 751 HB3 GLU 97 HB3 GLU 97 -19.940 2.413 5.982 752 HG2 GLU 97 HG2 GLU 97 -21.195 1.306 7.761 753 HG3 GLU 97 HG3 GLU 97 -21.379 0.485 6.211 754 H LYS 98 H LYS 98 -17.887 1.895 3.264 755 HA LYS 98 HA LYS 98 -20.377 1.384 1.814 756 HB2 LYS 98 HB2 LYS 98 -18.011 3.162 1.246 757 HB3 LYS 98 HB3 LYS 98 -19.214 2.808 0.017 758 HG2 LYS 98 HG2 LYS 98 -19.733 4.914 1.021 759 HG3 LYS 98 HG3 LYS 98 -20.954 3.742 1.518 760 HD2 LYS 98 HD2 LYS 98 -19.833 3.470 3.666 761 HD3 LYS 98 HD3 LYS 98 -18.578 4.603 3.164 762 HE2 LYS 98 HE2 LYS 98 -20.237 6.384 2.998 763 HE3 LYS 98 HE3 LYS 98 -21.509 5.253 3.461 764 HZ1 LYS 98 HZ1 LYS 98 -20.570 5.015 5.609 765 HZ2 LYS 98 HZ2 LYS 98 -20.650 6.683 5.301 766 HZ3 LYS 98 HZ3 LYS 98 -19.168 5.866 5.175 767 H ASN 99 H ASN 99 -17.392 -0.052 2.274 768 HA ASN 99 HA ASN 99 -16.877 -2.176 1.652 769 HB2 ASN 99 HB2 ASN 99 -19.354 -2.427 1.180 770 HB3 ASN 99 HB3 ASN 99 -18.984 -2.067 -0.501 771 HD21 ASN 99 HD21 ASN 99 -16.940 -3.923 1.672 772 HD22 ASN 99 HD22 ASN 99 -17.108 -5.426 0.837 773 H TRP 100 H TRP 100 -15.939 0.419 0.219 774 HA TRP 100 HA TRP 100 -15.086 -0.571 -2.329 775 HB2 TRP 100 HB2 TRP 100 -14.154 1.773 -0.670 776 HB3 TRP 100 HB3 TRP 100 -13.554 1.413 -2.280 777 HD1 TRP 100 HD1 TRP 100 -17.288 0.920 -2.013 778 HE1 TRP 100 HE1 TRP 100 -18.486 2.926 -3.114 779 HE3 TRP 100 HE3 TRP 100 -13.298 3.965 -2.579 780 HZ2 TRP 100 HZ2 TRP 100 -17.770 5.520 -4.097 781 HZ3 TRP 100 HZ3 TRP 100 -13.581 6.187 -3.601 782 HH2 TRP 100 HH2 TRP 100 -15.760 6.957 -4.334 783 H PHE 101 H PHE 101 -12.980 -1.260 -2.889 784 HA PHE 101 HA PHE 101 -11.411 -2.293 -0.612 785 HB2 PHE 101 HB2 PHE 101 -11.337 -3.127 -3.527 786 HB3 PHE 101 HB3 PHE 101 -10.364 -3.825 -2.243 787 HD1 PHE 101 HD1 PHE 101 -13.978 -3.199 -2.992 788 HD2 PHE 101 HD2 PHE 101 -11.032 -5.847 -1.439 789 HE1 PHE 101 HE1 PHE 101 -15.700 -4.926 -2.682 790 HE2 PHE 101 HE2 PHE 101 -12.750 -7.576 -1.120 791 HZ PHE 101 HZ PHE 101 -15.083 -7.121 -1.758 792 H VAL 102 H VAL 102 -9.153 -1.768 -0.522 793 HA VAL 102 HA VAL 102 -8.361 0.277 -2.456 794 HB VAL 102 HB VAL 102 -6.273 0.398 -0.928 795 HG11 VAL 102 HG11 VAL 102 -7.865 2.189 -1.168 796 HG12 VAL 102 HG12 VAL 102 -8.960 1.396 -0.035 797 HG13 VAL 102 HG13 VAL 102 -7.407 2.012 0.526 798 HG21 VAL 102 HG21 VAL 102 -6.733 -1.572 0.410 799 HG22 VAL 102 HG22 VAL 102 -6.708 -0.122 1.412 800 HG23 VAL 102 HG23 VAL 102 -8.247 -0.854 0.962 801 H GLY 103 H GLY 103 -7.380 -0.396 -4.191 802 HA2 GLY 103 HA3 GLY 103 -5.282 -2.437 -3.900 803 HA3 GLY 103 HA2 GLY 103 -6.407 -2.504 -5.241 804 H LEU 104 H LEU 104 -3.628 -2.336 -5.447 805 HA LEU 104 HA LEU 104 -3.034 0.497 -5.946 806 HB2 LEU 104 HB2 LEU 104 -1.040 -1.688 -6.318 807 HB3 LEU 104 HB3 LEU 104 -0.783 -0.035 -5.810 808 HG LEU 104 HG LEU 104 -2.164 -1.942 -3.975 809 HD11 LEU 104 HD11 LEU 104 0.809 -1.679 -4.402 810 HD12 LEU 104 HD12 LEU 104 0.028 -2.578 -3.101 811 HD13 LEU 104 HD13 LEU 104 -0.172 -3.097 -4.773 812 HD21 LEU 104 HD21 LEU 104 -2.086 0.417 -3.389 813 HD22 LEU 104 HD22 LEU 104 -1.060 -0.522 -2.305 814 HD23 LEU 104 HD23 LEU 104 -0.335 0.427 -3.605 815 H LYS 105 H LYS 105 -2.540 1.176 -8.165 816 HA LYS 105 HA LYS 105 -1.757 -1.249 -9.685 817 HB2 LYS 105 HB2 LYS 105 -3.365 0.598 -10.669 818 HB3 LYS 105 HB3 LYS 105 -1.869 1.481 -10.922 819 HG2 LYS 105 HG2 LYS 105 -1.647 -1.218 -11.906 820 HG3 LYS 105 HG3 LYS 105 -3.036 -0.393 -12.615 821 HD2 LYS 105 HD2 LYS 105 -1.485 1.522 -13.139 822 HD3 LYS 105 HD3 LYS 105 -0.151 0.468 -12.661 823 HE2 LYS 105 HE2 LYS 105 -0.801 -1.143 -14.372 824 HE3 LYS 105 HE3 LYS 105 -2.159 -0.120 -14.838 825 HZ1 LYS 105 HZ1 LYS 105 -0.425 1.643 -15.306 826 HZ2 LYS 105 HZ2 LYS 105 -0.484 0.334 -16.375 827 HZ3 LYS 105 HZ3 LYS 105 0.729 0.406 -15.199 828 H LYS 106 H LYS 106 0.123 -1.635 -8.625 829 HA LYS 106 HA LYS 106 1.986 0.467 -8.213 830 HB2 LYS 106 HB2 LYS 106 3.484 -1.144 -7.320 831 HB3 LYS 106 HB3 LYS 106 1.865 -1.645 -6.817 832 HG2 LYS 106 HG2 LYS 106 3.367 -2.817 -9.158 833 HG3 LYS 106 HG3 LYS 106 3.254 -3.543 -7.555 834 HD2 LYS 106 HD2 LYS 106 0.976 -4.003 -7.794 835 HD3 LYS 106 HD3 LYS 106 0.786 -2.853 -9.117 836 HE2 LYS 106 HE2 LYS 106 2.187 -4.308 -10.535 837 HE3 LYS 106 HE3 LYS 106 2.274 -5.479 -9.219 838 HZ1 LYS 106 HZ1 LYS 106 -0.182 -4.608 -10.656 839 HZ2 LYS 106 HZ2 LYS 106 -0.172 -5.656 -9.321 840 HZ3 LYS 106 HZ3 LYS 106 0.572 -6.122 -10.768 841 H ASN 107 H ASN 107 1.158 -1.532 -10.867 842 HA ASN 107 HA ASN 107 3.765 -1.516 -12.018 843 HB2 ASN 107 HB2 ASN 107 2.091 -3.182 -12.679 844 HB3 ASN 107 HB3 ASN 107 1.036 -1.909 -13.288 845 HD21 ASN 107 HD21 ASN 107 3.921 -3.762 -13.876 846 HD22 ASN 107 HD22 ASN 107 4.108 -3.302 -15.536 847 H GLY 108 H GLY 108 1.259 0.717 -11.583 848 HA2 GLY 108 HA3 GLY 108 2.855 2.719 -13.052 849 HA3 GLY 108 HA2 GLY 108 1.106 2.854 -12.869 850 H SER 109 H SER 109 0.237 3.133 -10.928 851 HA SER 109 HA SER 109 1.717 3.876 -8.576 852 HB2 SER 109 HB2 SER 109 0.538 6.155 -8.532 853 HB3 SER 109 HB3 SER 109 1.884 6.005 -9.660 854 HG SER 109 HG SER 109 -0.121 6.997 -10.480 855 H CYS 110 H CYS 110 0.075 4.214 -6.718 856 HA CYS 110 HA CYS 110 -2.060 2.360 -7.345 857 HB2 CYS 110 HB2 CYS 110 -2.282 2.028 -4.963 858 HB3 CYS 110 HB3 CYS 110 -0.612 1.832 -5.456 859 HG CYS 110 HG CYS 110 -1.257 4.937 -4.505 860 H LYS 111 H LYS 111 -3.981 3.027 -7.813 861 HA LYS 111 HA LYS 111 -5.086 5.400 -6.488 862 HB2 LYS 111 HB2 LYS 111 -6.451 4.780 -8.968 863 HB3 LYS 111 HB3 LYS 111 -5.747 6.302 -8.450 864 HG2 LYS 111 HG2 LYS 111 -4.663 5.825 -10.448 865 HG3 LYS 111 HG3 LYS 111 -3.512 5.318 -9.213 866 HD2 LYS 111 HD2 LYS 111 -3.444 3.531 -10.678 867 HD3 LYS 111 HD3 LYS 111 -4.639 2.984 -9.506 868 HE2 LYS 111 HE2 LYS 111 -5.296 4.309 -12.136 869 HE3 LYS 111 HE3 LYS 111 -5.283 2.569 -11.873 870 HZ1 LYS 111 HZ1 LYS 111 -7.499 3.207 -11.670 871 HZ2 LYS 111 HZ2 LYS 111 -7.138 4.585 -10.750 872 HZ3 LYS 111 HZ3 LYS 111 -6.983 3.045 -10.062 873 H ARG 112 H ARG 112 -6.704 4.587 -5.054 874 HA ARG 112 HA ARG 112 -8.043 2.193 -6.120 875 HB2 ARG 112 HB2 ARG 112 -7.678 2.096 -3.245 876 HB3 ARG 112 HB3 ARG 112 -7.268 0.903 -4.468 877 HG2 ARG 112 HG2 ARG 112 -5.131 2.053 -4.920 878 HG3 ARG 112 HG3 ARG 112 -5.571 3.283 -3.711 879 HD2 ARG 112 HD2 ARG 112 -5.771 1.374 -2.042 880 HD3 ARG 112 HD3 ARG 112 -4.973 0.370 -3.250 881 HE ARG 112 HE ARG 112 -3.354 2.566 -2.949 882 HH11 ARG 112 HH12 ARG 112 -4.570 0.012 -0.887 883 HH12 ARG 112 HH11 ARG 112 -3.258 0.113 0.240 884 HH21 ARG 112 HH22 ARG 112 -1.616 2.714 -1.464 885 HH22 ARG 112 HH21 ARG 112 -1.573 1.661 -0.088 886 H GLY 113 H GLY 113 -9.809 4.047 -6.471 887 HA2 GLY 113 HA3 GLY 113 -11.613 3.440 -4.233 888 HA3 GLY 113 HA2 GLY 113 -11.864 4.734 -5.392 889 HA PRO 114 HA PRO 114 -14.727 2.301 -7.347 890 HB2 PRO 114 HB2 PRO 114 -14.954 3.465 -9.734 891 HB3 PRO 114 HB3 PRO 114 -15.270 4.343 -8.233 892 HG2 PRO 114 HG2 PRO 114 -12.864 4.408 -9.998 893 HG3 PRO 114 HG3 PRO 114 -13.664 5.737 -9.141 894 HD2 PRO 114 HD2 PRO 114 -11.387 4.411 -8.270 895 HD3 PRO 114 HD3 PRO 114 -12.470 5.366 -7.241 896 H ARG 115 H ARG 115 -11.624 1.523 -8.403 897 HA ARG 115 HA ARG 115 -12.834 -0.566 -10.048 898 HB2 ARG 115 HB2 ARG 115 -10.409 -0.605 -11.121 899 HB3 ARG 115 HB3 ARG 115 -11.681 0.418 -11.762 900 HG2 ARG 115 HG2 ARG 115 -9.867 1.551 -9.698 901 HG3 ARG 115 HG3 ARG 115 -9.258 1.333 -11.341 902 HD2 ARG 115 HD2 ARG 115 -11.675 2.927 -10.491 903 HD3 ARG 115 HD3 ARG 115 -10.154 3.562 -11.115 904 HE ARG 115 HE ARG 115 -11.433 1.743 -12.934 905 HH11 ARG 115 HH12 ARG 115 -11.350 5.080 -11.836 906 HH12 ARG 115 HH11 ARG 115 -12.039 5.699 -13.303 907 HH21 ARG 115 HH22 ARG 115 -12.327 2.586 -14.869 908 HH22 ARG 115 HH21 ARG 115 -12.603 4.297 -15.009 909 H THR 116 H THR 116 -11.585 0.172 -7.222 910 HA THR 116 HA THR 116 -9.899 -2.187 -7.049 911 HB THR 116 HB THR 116 -9.348 -1.156 -4.769 912 HG1 THR 116 HG1 THR 116 -10.600 0.522 -4.376 913 HG21 THR 116 HG21 THR 116 -7.848 -1.163 -6.704 914 HG22 THR 116 HG22 THR 116 -7.735 0.363 -5.824 915 HG23 THR 116 HG23 THR 116 -8.649 0.278 -7.330 916 H HIS 117 H HIS 117 -10.670 -3.888 -6.443 917 HA HIS 117 HA HIS 117 -12.340 -5.047 -4.820 918 HB2 HIS 117 HB2 HIS 117 -14.643 -4.892 -5.726 919 HB3 HIS 117 HB3 HIS 117 -14.136 -3.322 -5.133 920 HD1 HIS 117 HD1 HIS 117 -14.469 -1.409 -6.678 921 HD2 HIS 117 HD2 HIS 117 -14.572 -5.064 -8.664 922 HE1 HIS 117 HE1 HIS 117 -15.157 -0.885 -9.038 923 HE2 HIS 117 HE2 HIS 117 -15.406 -3.127 -10.165 924 H TYR 118 H TYR 118 -13.685 -6.851 -6.671 925 HA TYR 118 HA TYR 118 -11.313 -7.276 -8.317 926 HB2 TYR 118 HB2 TYR 118 -13.808 -8.868 -7.813 927 HB3 TYR 118 HB3 TYR 118 -12.783 -9.257 -9.192 928 HD1 TYR 118 HD1 TYR 118 -12.888 -9.027 -5.506 929 HD2 TYR 118 HD2 TYR 118 -10.731 -10.435 -8.890 930 HE1 TYR 118 HE1 TYR 118 -11.450 -10.364 -4.026 931 HE2 TYR 118 HE2 TYR 118 -9.286 -11.774 -7.419 932 HH TYR 118 HH TYR 118 -8.569 -11.881 -5.140 933 H GLY 119 H GLY 119 -11.686 -5.216 -9.196 934 HA2 GLY 119 HA3 GLY 119 -13.043 -5.446 -11.776 935 HA3 GLY 119 HA2 GLY 119 -12.433 -3.936 -11.071 936 H GLN 120 H GLN 120 -10.138 -5.194 -10.015 937 HA GLN 120 HA GLN 120 -8.433 -5.488 -12.378 938 HB2 GLN 120 HB2 GLN 120 -8.395 -3.448 -10.157 939 HB3 GLN 120 HB3 GLN 120 -6.847 -4.002 -10.818 940 HG2 GLN 120 HG2 GLN 120 -9.080 -2.870 -12.489 941 HG3 GLN 120 HG3 GLN 120 -7.780 -1.898 -11.800 942 HE21 GLN 120 HE21 GLN 120 -5.716 -2.059 -12.650 943 HE22 GLN 120 HE22 GLN 120 -5.393 -2.840 -14.157 944 H LYS 121 H LYS 121 -6.635 -6.878 -12.036 945 HA LYS 121 HA LYS 121 -6.798 -8.563 -9.643 946 HB2 LYS 121 HB2 LYS 121 -6.348 -9.278 -12.178 947 HB3 LYS 121 HB3 LYS 121 -4.682 -8.929 -11.728 948 HG2 LYS 121 HG2 LYS 121 -4.742 -10.577 -9.988 949 HG3 LYS 121 HG3 LYS 121 -6.466 -10.851 -10.250 950 HD2 LYS 121 HD2 LYS 121 -5.925 -11.570 -12.576 951 HD3 LYS 121 HD3 LYS 121 -4.215 -11.456 -12.161 952 HE2 LYS 121 HE2 LYS 121 -6.215 -13.202 -10.734 953 HE3 LYS 121 HE3 LYS 121 -5.139 -13.758 -12.013 954 HZ1 LYS 121 HZ1 LYS 121 -4.400 -12.789 -9.313 955 HZ2 LYS 121 HZ2 LYS 121 -3.267 -12.972 -10.559 956 HZ3 LYS 121 HZ3 LYS 121 -4.124 -14.318 -9.987 957 H ALA 122 H ALA 122 -5.506 -5.737 -10.334 958 HA ALA 122 HA ALA 122 -2.962 -5.997 -9.035 959 HB1 ALA 122 HB1 ALA 122 -3.329 -4.292 -10.730 960 HB2 ALA 122 HB2 ALA 122 -4.592 -3.560 -9.740 961 HB3 ALA 122 HB3 ALA 122 -2.918 -3.550 -9.183 962 H ILE 123 H ILE 123 -5.990 -6.332 -7.948 963 HA ILE 123 HA ILE 123 -5.706 -4.930 -5.418 964 HB ILE 123 HB ILE 123 -7.843 -6.940 -6.135 965 HG12 ILE 123 HG12 ILE 123 -7.839 -5.312 -7.918 966 HG13 ILE 123 HG13 ILE 123 -9.219 -5.006 -6.870 967 HG21 ILE 123 HG21 ILE 123 -7.826 -4.593 -4.237 968 HG22 ILE 123 HG22 ILE 123 -9.197 -5.658 -4.543 969 HG23 ILE 123 HG23 ILE 123 -7.737 -6.296 -3.787 970 HD11 ILE 123 HD11 ILE 123 -6.626 -3.489 -6.859 971 HD12 ILE 123 HD12 ILE 123 -8.149 -2.949 -7.567 972 HD13 ILE 123 HD13 ILE 123 -8.018 -3.172 -5.823 973 H LEU 124 H LEU 124 -4.555 -7.766 -6.742 974 HA LEU 124 HA LEU 124 -4.332 -9.062 -4.122 975 HB2 LEU 124 HB2 LEU 124 -3.443 -9.886 -6.884 976 HB3 LEU 124 HB3 LEU 124 -2.959 -10.760 -5.446 977 HG LEU 124 HG LEU 124 -4.779 -11.946 -6.395 978 HD11 LEU 124 HD11 LEU 124 -5.819 -10.307 -4.091 979 HD12 LEU 124 HD12 LEU 124 -6.471 -11.850 -4.643 980 HD13 LEU 124 HD13 LEU 124 -4.843 -11.771 -3.970 981 HD21 LEU 124 HD21 LEU 124 -6.318 -9.354 -6.429 982 HD22 LEU 124 HD22 LEU 124 -5.667 -10.193 -7.837 983 HD23 LEU 124 HD23 LEU 124 -6.950 -10.936 -6.881 984 H PHE 125 H PHE 125 -2.685 -8.610 -2.775 985 HA PHE 125 HA PHE 125 -0.259 -7.429 -3.996 986 HB2 PHE 125 HB2 PHE 125 -0.868 -6.725 -1.203 987 HB3 PHE 125 HB3 PHE 125 -0.190 -5.750 -2.491 988 HD1 PHE 125 HD2 PHE 125 -1.781 -4.918 -4.308 989 HD2 PHE 125 HD1 PHE 125 -3.076 -6.460 -0.564 990 HE1 PHE 125 HE2 PHE 125 -3.942 -3.788 -4.586 991 HE2 PHE 125 HE1 PHE 125 -5.236 -5.325 -0.837 992 HZ PHE 125 HZ PHE 125 -5.669 -3.985 -2.851 993 H LEU 126 H LEU 126 1.733 -7.623 -2.800 994 HA LEU 126 HA LEU 126 1.798 -9.676 -0.687 995 HB2 LEU 126 HB2 LEU 126 2.341 -10.823 -2.812 996 HB3 LEU 126 HB3 LEU 126 3.640 -9.672 -3.071 997 HG LEU 126 HG LEU 126 4.738 -10.509 -0.996 998 HD11 LEU 126 HD11 LEU 126 2.577 -12.607 -1.103 999 HD12 LEU 126 HD12 LEU 126 3.987 -12.628 -0.044 1000 HD13 LEU 126 HD13 LEU 126 2.767 -11.367 0.138 1001 HD21 LEU 126 HD21 LEU 126 4.177 -12.592 -3.104 1002 HD22 LEU 126 HD22 LEU 126 5.413 -11.335 -3.187 1003 HD23 LEU 126 HD23 LEU 126 5.527 -12.605 -1.969 1004 HA PRO 127 HA PRO 127 4.425 -6.231 0.527 1005 HB2 PRO 127 HB2 PRO 127 3.782 -6.327 3.154 1006 HB3 PRO 127 HB3 PRO 127 2.650 -5.759 1.925 1007 HG2 PRO 127 HG2 PRO 127 2.553 -8.201 3.522 1008 HG3 PRO 127 HG3 PRO 127 1.290 -7.473 2.518 1009 HD2 PRO 127 HD2 PRO 127 3.138 -9.655 1.876 1010 HD3 PRO 127 HD3 PRO 127 1.658 -9.152 1.033 1011 H LEU 128 H LEU 128 6.562 -6.137 1.139 1012 HA LEU 128 HA LEU 128 7.607 -8.453 2.654 1013 HB2 LEU 128 HB2 LEU 128 8.759 -7.375 0.082 1014 HB3 LEU 128 HB3 LEU 128 9.527 -8.583 1.095 1015 HG LEU 128 HG LEU 128 6.876 -8.934 -0.312 1016 HD11 LEU 128 HD11 LEU 128 8.730 -8.836 -1.891 1017 HD12 LEU 128 HD12 LEU 128 9.600 -10.055 -0.961 1018 HD13 LEU 128 HD13 LEU 128 8.089 -10.474 -1.770 1019 HD21 LEU 128 HD21 LEU 128 7.106 -11.281 0.345 1020 HD22 LEU 128 HD22 LEU 128 8.578 -10.890 1.233 1021 HD23 LEU 128 HD23 LEU 128 7.030 -10.225 1.753 1022 HA PRO 129 HA PRO 129 9.810 -5.084 4.610 1023 HB2 PRO 129 HB2 PRO 129 10.796 -6.469 6.688 1024 HB3 PRO 129 HB3 PRO 129 9.078 -6.060 6.587 1025 HG2 PRO 129 HG2 PRO 129 10.448 -8.650 6.015 1026 HG3 PRO 129 HG3 PRO 129 8.886 -8.357 6.798 1027 HD2 PRO 129 HD2 PRO 129 9.227 -9.094 4.147 1028 HD3 PRO 129 HD3 PRO 129 7.780 -8.308 4.807 1029 H VAL 130 H VAL 130 12.075 -4.552 5.015 1030 HA VAL 130 HA VAL 130 13.644 -5.472 2.849 1031 HB VAL 130 HB VAL 130 14.917 -4.140 5.181 1032 HG11 VAL 130 HG11 VAL 130 15.335 -3.928 2.217 1033 HG12 VAL 130 HG12 VAL 130 16.241 -3.036 3.439 1034 HG13 VAL 130 HG13 VAL 130 16.352 -4.795 3.369 1035 HG21 VAL 130 HG21 VAL 130 13.205 -2.744 3.128 1036 HG22 VAL 130 HG22 VAL 130 12.839 -2.906 4.845 1037 HG23 VAL 130 HG23 VAL 130 14.222 -1.943 4.325 1038 H SER 131 H SER 131 15.028 -7.023 2.670 1039 HA SER 131 HA SER 131 15.039 -9.016 4.754 1040 HB2 SER 131 HB2 SER 131 16.283 -9.216 2.006 1041 HB3 SER 131 HB3 SER 131 15.759 -10.536 3.056 1042 HG SER 131 HG SER 131 13.624 -9.156 2.796 1043 H SER 132 H SER 132 16.676 -9.508 6.047 1044 HA SER 132 HA SER 132 19.293 -8.266 5.562 1045 HB2 SER 132 HB2 SER 132 18.021 -7.965 7.771 1046 HB3 SER 132 HB3 SER 132 18.409 -9.655 8.091 1047 HG SER 132 HG SER 132 20.513 -9.177 8.255 1048 H ASP 133 H ASP 133 20.826 -9.506 4.712 1049 HA ASP 133 HA ASP 133 20.623 -12.415 5.003 1050 HB2 ASP 133 HB2 ASP 133 20.826 -11.572 2.695 1051 HB3 ASP 133 HB3 ASP 133 22.342 -10.783 3.116 Start of MODEL 18 1 H1 TYR 1 H1 TYR 1 15.292 -8.760 10.983 2 H2 TYR 1 H2 TYR 1 16.268 -7.414 11.298 3 H3 TYR 1 H3 TYR 1 16.960 -8.836 10.684 4 HA TYR 1 HA TYR 1 16.770 -7.158 8.983 5 HB2 TYR 1 HB2 TYR 1 15.483 -8.454 7.297 6 HB3 TYR 1 HB3 TYR 1 16.633 -9.448 8.206 7 HD1 TYR 1 HD1 TYR 1 15.676 -10.823 10.172 8 HD2 TYR 1 HD2 TYR 1 13.241 -9.089 7.143 9 HE1 TYR 1 HE1 TYR 1 13.873 -12.396 10.729 10 HE2 TYR 1 HE2 TYR 1 11.431 -10.658 7.696 11 HH TYR 1 HH TYR 1 11.387 -12.514 10.510 12 H LYS 2 H LYS 2 13.671 -7.890 10.552 13 HA LYS 2 HA LYS 2 12.156 -6.656 8.493 14 HB2 LYS 2 HB2 LYS 2 11.294 -8.451 9.941 15 HB3 LYS 2 HB3 LYS 2 11.357 -7.362 11.317 16 HG2 LYS 2 HG2 LYS 2 9.648 -5.970 10.368 17 HG3 LYS 2 HG3 LYS 2 9.664 -6.905 8.868 18 HD2 LYS 2 HD2 LYS 2 7.780 -7.550 10.283 19 HD3 LYS 2 HD3 LYS 2 8.918 -8.886 10.095 20 HE2 LYS 2 HE2 LYS 2 9.945 -8.133 12.286 21 HE3 LYS 2 HE3 LYS 2 8.537 -7.089 12.477 22 HZ1 LYS 2 HZ1 LYS 2 7.140 -9.104 12.262 23 HZ2 LYS 2 HZ2 LYS 2 8.142 -9.115 13.629 24 HZ3 LYS 2 HZ3 LYS 2 8.551 -10.050 12.274 25 H LYS 3 H LYS 3 11.315 -4.748 8.314 26 HA LYS 3 HA LYS 3 11.243 -2.737 10.316 27 HB2 LYS 3 HB2 LYS 3 12.856 -1.211 9.163 28 HB3 LYS 3 HB3 LYS 3 13.631 -2.630 9.848 29 HG2 LYS 3 HG2 LYS 3 13.709 -3.659 7.630 30 HG3 LYS 3 HG3 LYS 3 12.932 -2.229 6.944 31 HD2 LYS 3 HD2 LYS 3 15.571 -2.218 8.412 32 HD3 LYS 3 HD3 LYS 3 15.396 -2.235 6.655 33 HE2 LYS 3 HE2 LYS 3 14.317 -0.098 6.677 34 HE3 LYS 3 HE3 LYS 3 14.228 -0.103 8.437 35 HZ1 LYS 3 HZ1 LYS 3 16.568 0.137 8.592 36 HZ2 LYS 3 HZ2 LYS 3 16.027 1.297 7.478 37 HZ3 LYS 3 HZ3 LYS 3 16.786 -0.115 6.931 38 HA PRO 4 HA PRO 4 8.724 -0.441 6.997 39 HB2 PRO 4 HB2 PRO 4 11.010 0.211 5.291 40 HB3 PRO 4 HB3 PRO 4 9.826 1.287 6.031 41 HG2 PRO 4 HG2 PRO 4 12.496 0.569 6.956 42 HG3 PRO 4 HG3 PRO 4 11.433 1.869 7.519 43 HD2 PRO 4 HD2 PRO 4 12.024 -0.292 9.039 44 HD3 PRO 4 HD3 PRO 4 10.450 0.531 9.131 45 H LYS 5 H LYS 5 7.674 -1.597 5.586 46 HA LYS 5 HA LYS 5 8.957 -3.863 4.269 47 HB2 LYS 5 HB2 LYS 5 6.042 -3.137 4.644 48 HB3 LYS 5 HB3 LYS 5 6.607 -4.569 3.798 49 HG2 LYS 5 HG2 LYS 5 7.611 -5.407 5.845 50 HG3 LYS 5 HG3 LYS 5 7.106 -3.949 6.703 51 HD2 LYS 5 HD2 LYS 5 4.773 -4.495 6.318 52 HD3 LYS 5 HD3 LYS 5 5.235 -5.904 5.362 53 HE2 LYS 5 HE2 LYS 5 6.222 -6.946 7.305 54 HE3 LYS 5 HE3 LYS 5 5.914 -5.508 8.275 55 HZ1 LYS 5 HZ1 LYS 5 3.764 -7.123 7.001 56 HZ2 LYS 5 HZ2 LYS 5 3.580 -5.878 8.137 57 HZ3 LYS 5 HZ3 LYS 5 4.287 -7.346 8.595 58 H LEU 6 H LEU 6 8.230 -4.367 2.087 59 HA LEU 6 HA LEU 6 8.112 -2.005 0.357 60 HB2 LEU 6 HB2 LEU 6 9.891 -3.447 -0.276 61 HB3 LEU 6 HB3 LEU 6 8.901 -4.882 -0.076 62 HG LEU 6 HG LEU 6 7.501 -3.650 -2.008 63 HD11 LEU 6 HD11 LEU 6 10.349 -2.829 -2.498 64 HD12 LEU 6 HD12 LEU 6 9.024 -2.714 -3.656 65 HD13 LEU 6 HD13 LEU 6 8.981 -1.762 -2.173 66 HD21 LEU 6 HD21 LEU 6 8.681 -5.101 -3.625 67 HD22 LEU 6 HD22 LEU 6 9.883 -5.450 -2.380 68 HD23 LEU 6 HD23 LEU 6 8.199 -5.931 -2.144 69 H LEU 7 H LEU 7 6.470 -1.793 -1.193 70 HA LEU 7 HA LEU 7 4.210 -3.618 -0.890 71 HB2 LEU 7 HB2 LEU 7 3.591 -1.291 -1.019 72 HB3 LEU 7 HB3 LEU 7 4.475 -1.105 -2.531 73 HG LEU 7 HG LEU 7 2.801 -3.171 -3.131 74 HD11 LEU 7 HD11 LEU 7 1.299 -1.327 -1.296 75 HD12 LEU 7 HD12 LEU 7 0.559 -2.513 -2.371 76 HD13 LEU 7 HD13 LEU 7 1.611 -3.046 -1.060 77 HD21 LEU 7 HD21 LEU 7 3.233 -1.284 -4.579 78 HD22 LEU 7 HD22 LEU 7 1.495 -1.521 -4.409 79 HD23 LEU 7 HD23 LEU 7 2.300 -0.223 -3.524 80 H TYR 8 H TYR 8 4.620 -5.457 -1.911 81 HA TYR 8 HA TYR 8 5.253 -5.343 -4.769 82 HB2 TYR 8 HB2 TYR 8 6.156 -7.077 -2.935 83 HB3 TYR 8 HB3 TYR 8 4.681 -7.922 -3.387 84 HD1 TYR 8 HD1 TYR 8 4.376 -8.639 -5.803 85 HD2 TYR 8 HD2 TYR 8 8.055 -7.091 -4.331 86 HE1 TYR 8 HE1 TYR 8 5.554 -9.628 -7.717 87 HE2 TYR 8 HE2 TYR 8 9.240 -8.069 -6.244 88 HH TYR 8 HH TYR 8 8.969 -9.837 -7.871 89 H CYS 9 H CYS 9 3.490 -4.673 -5.739 90 HA CYS 9 HA CYS 9 0.855 -5.726 -5.284 91 HB2 CYS 9 HB2 CYS 9 1.030 -3.399 -5.925 92 HB3 CYS 9 HB3 CYS 9 1.900 -3.831 -7.390 93 HG CYS 9 HG CYS 9 -1.286 -3.395 -7.008 94 H SER 10 H SER 10 -0.362 -6.650 -7.267 95 HA SER 10 HA SER 10 0.913 -9.184 -7.312 96 HB2 SER 10 HB2 SER 10 -1.551 -8.870 -7.024 97 HB3 SER 10 HB3 SER 10 -1.645 -8.305 -8.692 98 HG SER 10 HG SER 10 -1.365 -10.866 -7.694 99 H ASN 11 H ASN 11 0.751 -10.402 -9.828 100 HA ASN 11 HA ASN 11 3.391 -9.473 -9.485 101 HB2 ASN 11 HB2 ASN 11 2.630 -11.862 -9.669 102 HB3 ASN 11 HB3 ASN 11 2.485 -11.609 -11.404 103 HD21 ASN 11 HD21 ASN 11 4.171 -13.455 -9.974 104 HD22 ASN 11 HD22 ASN 11 5.804 -13.084 -10.413 105 H GLY 12 H GLY 12 3.922 -7.740 -10.315 106 HA2 GLY 12 HA3 GLY 12 4.872 -8.004 -13.066 107 HA3 GLY 12 HA2 GLY 12 4.218 -6.446 -12.535 108 H GLY 13 H GLY 13 6.530 -5.681 -12.901 109 HA2 GLY 13 HA3 GLY 13 8.018 -6.185 -10.413 110 HA3 GLY 13 HA2 GLY 13 8.859 -6.210 -11.956 111 H HIS 14 H HIS 14 6.892 -4.204 -9.880 112 HA HIS 14 HA HIS 14 8.736 -2.033 -10.319 113 HB2 HIS 14 HB2 HIS 14 5.744 -1.934 -10.510 114 HB3 HIS 14 HB3 HIS 14 6.625 -0.533 -9.906 115 HD1 HIS 14 HD1 HIS 14 6.004 -2.506 -13.040 116 HD2 HIS 14 HD2 HIS 14 8.145 0.840 -11.815 117 HE1 HIS 14 HE1 HIS 14 6.730 -1.351 -15.150 118 HE2 HIS 14 HE2 HIS 14 7.839 0.777 -14.378 119 H PHE 15 H PHE 15 8.469 -0.486 -8.365 120 HA PHE 15 HA PHE 15 7.707 -1.973 -5.973 121 HB2 PHE 15 HB2 PHE 15 10.273 -0.391 -6.308 122 HB3 PHE 15 HB3 PHE 15 9.721 -1.134 -4.811 123 HD1 PHE 15 HD2 PHE 15 9.150 -3.747 -5.117 124 HD2 PHE 15 HD1 PHE 15 11.884 -1.503 -7.478 125 HE1 PHE 15 HE2 PHE 15 10.321 -5.822 -5.724 126 HE2 PHE 15 HE1 PHE 15 13.060 -3.574 -8.091 127 HZ PHE 15 HZ PHE 15 12.280 -5.738 -7.213 128 H LEU 16 H LEU 16 6.673 -0.692 -4.466 129 HA LEU 16 HA LEU 16 5.701 1.792 -5.398 130 HB2 LEU 16 HB2 LEU 16 4.483 0.078 -4.010 131 HB3 LEU 16 HB3 LEU 16 5.468 0.573 -2.648 132 HG LEU 16 HG LEU 16 4.533 2.908 -3.017 133 HD11 LEU 16 HD11 LEU 16 2.592 1.321 -4.673 134 HD12 LEU 16 HD12 LEU 16 2.400 3.006 -4.185 135 HD13 LEU 16 HD13 LEU 16 3.716 2.545 -5.264 136 HD21 LEU 16 HD21 LEU 16 2.486 2.408 -1.787 137 HD22 LEU 16 HD22 LEU 16 2.648 0.699 -2.199 138 HD23 LEU 16 HD23 LEU 16 3.846 1.475 -1.163 139 H ARG 17 H ARG 17 6.665 3.619 -5.266 140 HA ARG 17 HA ARG 17 8.583 4.179 -3.083 141 HB2 ARG 17 HB2 ARG 17 10.266 4.558 -4.568 142 HB3 ARG 17 HB3 ARG 17 9.286 3.641 -5.707 143 HG2 ARG 17 HG2 ARG 17 8.187 6.018 -6.099 144 HG3 ARG 17 HG3 ARG 17 9.763 6.557 -5.524 145 HD2 ARG 17 HD2 ARG 17 9.465 4.541 -7.725 146 HD3 ARG 17 HD3 ARG 17 9.448 6.272 -8.039 147 HE ARG 17 HE ARG 17 11.733 4.639 -7.359 148 HH11 ARG 17 HH12 ARG 17 10.423 7.876 -7.446 149 HH12 ARG 17 HH11 ARG 17 11.963 8.647 -7.669 150 HH21 ARG 17 HH22 ARG 17 13.772 5.621 -7.710 151 HH22 ARG 17 HH21 ARG 17 13.882 7.360 -7.810 152 H ILE 18 H ILE 18 8.661 6.508 -2.522 153 HA ILE 18 HA ILE 18 6.285 7.881 -3.442 154 HB ILE 18 HB ILE 18 6.759 9.578 -1.833 155 HG12 ILE 18 HG12 ILE 18 9.292 8.124 -1.077 156 HG13 ILE 18 HG13 ILE 18 9.267 9.516 -2.156 157 HG21 ILE 18 HG21 ILE 18 5.663 7.582 -1.018 158 HG22 ILE 18 HG22 ILE 18 7.226 6.840 -0.678 159 HG23 ILE 18 HG23 ILE 18 6.707 8.257 0.235 160 HD11 ILE 18 HD11 ILE 18 8.300 10.874 -0.368 161 HD12 ILE 18 HD12 ILE 18 8.350 9.478 0.709 162 HD13 ILE 18 HD13 ILE 18 9.851 10.174 0.098 163 H LEU 19 H LEU 19 6.224 9.444 -4.795 164 HA LEU 19 HA LEU 19 8.713 10.502 -5.938 165 HB2 LEU 19 HB2 LEU 19 6.851 9.383 -7.350 166 HB3 LEU 19 HB3 LEU 19 5.915 10.827 -7.025 167 HG LEU 19 HG LEU 19 7.723 12.168 -8.115 168 HD11 LEU 19 HD11 LEU 19 9.566 10.606 -7.828 169 HD12 LEU 19 HD12 LEU 19 8.765 9.443 -8.884 170 HD13 LEU 19 HD13 LEU 19 9.331 10.983 -9.534 171 HD21 LEU 19 HD21 LEU 19 7.086 11.552 -10.387 172 HD22 LEU 19 HD22 LEU 19 6.446 10.017 -9.800 173 HD23 LEU 19 HD23 LEU 19 5.692 11.533 -9.308 174 HA PRO 20 HA PRO 20 7.926 14.166 -3.645 175 HB2 PRO 20 HB2 PRO 20 9.247 15.731 -5.733 176 HB3 PRO 20 HB3 PRO 20 9.788 15.403 -4.083 177 HG2 PRO 20 HG2 PRO 20 11.020 14.316 -6.204 178 HG3 PRO 20 HG3 PRO 20 10.822 13.415 -4.687 179 HD2 PRO 20 HD2 PRO 20 9.212 13.242 -7.215 180 HD3 PRO 20 HD3 PRO 20 9.848 11.930 -6.197 181 H ASP 21 H ASP 21 6.382 13.555 -6.394 182 HA ASP 21 HA ASP 21 5.093 16.171 -6.660 183 HB2 ASP 21 HB2 ASP 21 4.858 13.646 -8.309 184 HB3 ASP 21 HB3 ASP 21 3.861 15.072 -8.569 185 H GLY 22 H GLY 22 4.794 13.431 -4.843 186 HA2 GLY 22 HA3 GLY 22 3.080 13.145 -3.231 187 HA3 GLY 22 HA2 GLY 22 1.982 14.035 -4.279 188 H THR 23 H THR 23 4.064 11.240 -4.966 189 HA THR 23 HA THR 23 1.681 9.711 -5.707 190 HB THR 23 HB THR 23 4.289 9.104 -6.935 191 HG1 THR 23 HG1 THR 23 4.093 10.802 -8.459 192 HG21 THR 23 HG21 THR 23 1.472 9.300 -7.999 193 HG22 THR 23 HG22 THR 23 2.307 7.832 -7.498 194 HG23 THR 23 HG23 THR 23 2.863 8.723 -8.916 195 H VAL 24 H VAL 24 1.685 7.591 -4.934 196 HA VAL 24 HA VAL 24 4.374 6.539 -4.432 197 HB VAL 24 HB VAL 24 2.753 6.737 -2.392 198 HG11 VAL 24 HG11 VAL 24 1.480 4.642 -2.010 199 HG12 VAL 24 HG12 VAL 24 0.821 5.674 -3.282 200 HG13 VAL 24 HG13 VAL 24 1.752 4.238 -3.709 201 HG21 VAL 24 HG21 VAL 24 3.813 4.778 -1.383 202 HG22 VAL 24 HG22 VAL 24 4.313 4.233 -2.985 203 HG23 VAL 24 HG23 VAL 24 4.952 5.739 -2.327 204 H ASP 25 H ASP 25 4.865 5.442 -6.136 205 HA ASP 25 HA ASP 25 2.931 3.586 -7.308 206 HB2 ASP 25 HB2 ASP 25 3.582 4.259 -9.581 207 HB3 ASP 25 HB3 ASP 25 2.945 5.647 -8.702 208 H GLY 26 H GLY 26 3.879 2.051 -8.894 209 HA2 GLY 26 HA3 GLY 26 6.382 1.097 -7.726 210 HA3 GLY 26 HA2 GLY 26 5.493 0.358 -9.022 211 H THR 27 H THR 27 8.236 1.564 -8.323 212 HA THR 27 HA THR 27 9.028 1.813 -11.096 213 HB THR 27 HB THR 27 9.708 3.810 -8.923 214 HG1 THR 27 HG1 THR 27 7.824 4.258 -10.221 215 HG21 THR 27 HG21 THR 27 11.328 4.788 -10.455 216 HG22 THR 27 HG22 THR 27 11.012 3.503 -11.621 217 HG23 THR 27 HG23 THR 27 11.747 3.119 -10.063 218 H ARG 28 H ARG 28 11.257 0.782 -11.284 219 HA ARG 28 HA ARG 28 11.542 -0.757 -8.808 220 HB2 ARG 28 HB2 ARG 28 13.283 -1.066 -11.249 221 HB3 ARG 28 HB3 ARG 28 12.924 -2.250 -10.001 222 HG2 ARG 28 HG2 ARG 28 10.660 -2.464 -10.800 223 HG3 ARG 28 HG3 ARG 28 10.941 -1.205 -12.003 224 HD2 ARG 28 HD2 ARG 28 11.089 -3.388 -13.038 225 HD3 ARG 28 HD3 ARG 28 12.672 -2.610 -13.041 226 HE ARG 28 HE ARG 28 13.016 -4.041 -10.921 227 HH11 ARG 28 HH12 ARG 28 11.146 -4.996 -13.718 228 HH12 ARG 28 HH11 ARG 28 11.487 -6.689 -13.537 229 HH21 ARG 28 HH22 ARG 28 13.447 -6.246 -10.642 230 HH22 ARG 28 HH21 ARG 28 12.776 -7.410 -11.753 231 H ASP 29 H ASP 29 12.438 0.524 -7.380 232 HA ASP 29 HA ASP 29 15.343 0.591 -7.598 233 HB2 ASP 29 HB2 ASP 29 13.698 2.884 -6.487 234 HB3 ASP 29 HB3 ASP 29 15.440 2.728 -6.313 235 H ARG 30 H ARG 30 15.785 -0.985 -6.052 236 HA ARG 30 HA ARG 30 14.698 -0.318 -3.393 237 HB2 ARG 30 HB2 ARG 30 13.788 -2.439 -4.284 238 HB3 ARG 30 HB3 ARG 30 15.416 -3.097 -4.376 239 HG2 ARG 30 HG2 ARG 30 14.385 -2.100 -1.758 240 HG3 ARG 30 HG3 ARG 30 13.810 -3.649 -2.373 241 HD2 ARG 30 HD2 ARG 30 16.677 -2.870 -1.846 242 HD3 ARG 30 HD3 ARG 30 15.698 -3.980 -0.889 243 HE ARG 30 HE ARG 30 15.660 -5.439 -2.891 244 HH11 ARG 30 HH12 ARG 30 18.163 -3.023 -2.546 245 HH12 ARG 30 HH11 ARG 30 19.296 -3.850 -3.575 246 HH21 ARG 30 HH22 ARG 30 17.156 -6.578 -4.201 247 HH22 ARG 30 HH21 ARG 30 18.722 -5.885 -4.519 248 H SER 31 H SER 31 17.224 -0.181 -5.353 249 HA SER 31 HA SER 31 19.325 -0.663 -3.459 250 HB2 SER 31 HB2 SER 31 19.411 0.916 -6.044 251 HB3 SER 31 HB3 SER 31 20.786 0.234 -5.172 252 HG SER 31 HG SER 31 19.846 -1.863 -5.567 253 H ASP 32 H ASP 32 16.934 1.641 -3.736 254 HA ASP 32 HA ASP 32 18.577 3.685 -2.440 255 HB2 ASP 32 HB2 ASP 32 17.559 4.161 -4.794 256 HB3 ASP 32 HB3 ASP 32 16.020 4.235 -3.946 257 H GLN 33 H GLN 33 16.690 5.184 -1.330 258 HA GLN 33 HA GLN 33 15.472 3.267 0.526 259 HB2 GLN 33 HB2 GLN 33 16.758 5.901 0.779 260 HB3 GLN 33 HB3 GLN 33 15.576 5.441 2.006 261 HG2 GLN 33 HG2 GLN 33 16.967 3.288 2.206 262 HG3 GLN 33 HG3 GLN 33 18.207 4.171 1.317 263 HE21 GLN 33 HE21 GLN 33 19.190 5.972 2.293 264 HE22 GLN 33 HE22 GLN 33 19.133 6.209 4.005 265 H HIS 34 H HIS 34 14.009 4.083 -1.842 266 HA HIS 34 HA HIS 34 12.111 6.065 -0.843 267 HB2 HIS 34 HB2 HIS 34 12.521 4.800 -3.537 268 HB3 HIS 34 HB3 HIS 34 11.048 5.684 -3.168 269 HD1 HIS 34 HD1 HIS 34 11.247 8.268 -2.905 270 HD2 HIS 34 HD2 HIS 34 14.794 6.362 -3.934 271 HE1 HIS 34 HE1 HIS 34 12.800 10.091 -3.650 272 HE2 HIS 34 HE2 HIS 34 14.993 8.937 -4.078 273 H ILE 35 H ILE 35 12.308 2.622 -1.209 274 HA ILE 35 HA ILE 35 9.422 2.361 -1.521 275 HB ILE 35 HB ILE 35 9.751 0.083 -2.071 276 HG12 ILE 35 HG12 ILE 35 11.451 -0.464 -0.322 277 HG13 ILE 35 HG13 ILE 35 11.842 -1.123 -1.903 278 HG21 ILE 35 HG21 ILE 35 10.294 1.720 -3.796 279 HG22 ILE 35 HG22 ILE 35 11.988 1.687 -3.296 280 HG23 ILE 35 HG23 ILE 35 11.239 0.242 -3.978 281 HD11 ILE 35 HD11 ILE 35 13.395 0.828 -2.209 282 HD12 ILE 35 HD12 ILE 35 13.117 1.212 -0.511 283 HD13 ILE 35 HD13 ILE 35 13.851 -0.327 -0.958 284 H GLN 36 H GLN 36 10.486 3.192 1.182 285 HA GLN 36 HA GLN 36 10.065 0.660 2.622 286 HB2 GLN 36 HB2 GLN 36 11.558 1.565 4.345 287 HB3 GLN 36 HB3 GLN 36 12.339 1.475 2.774 288 HG2 GLN 36 HG2 GLN 36 11.674 3.935 2.514 289 HG3 GLN 36 HG3 GLN 36 11.390 3.905 4.256 290 HE21 GLN 36 HE21 GLN 36 13.828 2.288 2.285 291 HE22 GLN 36 HE22 GLN 36 15.197 3.008 3.073 292 H LEU 37 H LEU 37 7.917 0.794 3.040 293 HA LEU 37 HA LEU 37 7.144 2.965 4.869 294 HB2 LEU 37 HB2 LEU 37 4.813 2.516 4.227 295 HB3 LEU 37 HB3 LEU 37 5.794 3.074 2.891 296 HG LEU 37 HG LEU 37 6.013 0.486 2.389 297 HD11 LEU 37 HD11 LEU 37 3.946 -0.714 2.881 298 HD12 LEU 37 HD12 LEU 37 4.792 -0.263 4.361 299 HD13 LEU 37 HD13 LEU 37 3.376 0.652 3.840 300 HD21 LEU 37 HD21 LEU 37 4.108 0.692 0.872 301 HD22 LEU 37 HD22 LEU 37 3.562 2.119 1.751 302 HD23 LEU 37 HD23 LEU 37 5.094 2.155 0.878 303 H GLN 38 H GLN 38 6.189 2.388 6.827 304 HA GLN 38 HA GLN 38 6.962 -0.328 7.567 305 HB2 GLN 38 HB2 GLN 38 7.472 2.035 8.764 306 HB3 GLN 38 HB3 GLN 38 5.965 1.623 9.583 307 HG2 GLN 38 HG2 GLN 38 8.506 0.016 9.546 308 HG3 GLN 38 HG3 GLN 38 7.823 0.898 10.907 309 HE21 GLN 38 HE21 GLN 38 7.755 -1.996 9.058 310 HE22 GLN 38 HE22 GLN 38 6.612 -2.846 10.038 311 H LEU 39 H LEU 39 5.426 -1.756 7.223 312 HA LEU 39 HA LEU 39 2.618 -0.987 7.529 313 HB2 LEU 39 HB2 LEU 39 3.340 -1.852 5.323 314 HB3 LEU 39 HB3 LEU 39 3.848 -3.344 6.082 315 HG LEU 39 HG LEU 39 1.563 -3.220 4.818 316 HD11 LEU 39 HD11 LEU 39 2.364 -5.179 6.041 317 HD12 LEU 39 HD12 LEU 39 1.748 -4.493 7.544 318 HD13 LEU 39 HD13 LEU 39 0.630 -4.941 6.255 319 HD21 LEU 39 HD21 LEU 39 -0.327 -2.660 6.246 320 HD22 LEU 39 HD22 LEU 39 0.775 -2.146 7.525 321 HD23 LEU 39 HD23 LEU 39 0.714 -1.257 6.003 322 H SER 40 H SER 40 2.089 -1.302 9.572 323 HA SER 40 HA SER 40 2.734 -3.891 10.814 324 HB2 SER 40 HB2 SER 40 2.300 -2.589 12.986 325 HB3 SER 40 HB3 SER 40 3.777 -2.204 12.106 326 HG SER 40 HG SER 40 2.627 -0.416 11.178 327 H ALA 41 H ALA 41 1.087 -4.885 12.132 328 HA ALA 41 HA ALA 41 -1.644 -3.907 11.572 329 HB1 ALA 41 HB1 ALA 41 -2.396 -6.229 11.849 330 HB2 ALA 41 HB2 ALA 41 -1.207 -6.079 10.558 331 HB3 ALA 41 HB3 ALA 41 -0.729 -6.737 12.127 332 H GLU 42 H GLU 42 -2.242 -2.777 13.362 333 HA GLU 42 HA GLU 42 -0.834 -3.504 15.824 334 HB2 GLU 42 HB2 GLU 42 -0.960 -1.089 14.598 335 HB3 GLU 42 HB3 GLU 42 -2.262 -0.933 15.774 336 HG2 GLU 42 HG2 GLU 42 -0.116 -0.117 16.628 337 HG3 GLU 42 HG3 GLU 42 -0.750 -1.464 17.578 338 H SER 43 H SER 43 -4.075 -2.813 14.600 339 HA SER 43 HA SER 43 -5.047 -3.918 17.152 340 HB2 SER 43 HB2 SER 43 -6.653 -2.235 15.228 341 HB3 SER 43 HB3 SER 43 -7.092 -2.719 16.863 342 HG SER 43 HG SER 43 -5.271 -1.505 17.604 343 H VAL 44 H VAL 44 -7.058 -5.247 16.923 344 HA VAL 44 HA VAL 44 -6.559 -7.379 15.192 345 HB VAL 44 HB VAL 44 -9.214 -6.689 16.472 346 HG11 VAL 44 HG11 VAL 44 -9.394 -8.407 14.780 347 HG12 VAL 44 HG12 VAL 44 -8.075 -9.311 15.528 348 HG13 VAL 44 HG13 VAL 44 -9.599 -9.105 16.387 349 HG21 VAL 44 HG21 VAL 44 -6.926 -8.303 17.592 350 HG22 VAL 44 HG22 VAL 44 -7.440 -6.708 18.145 351 HG23 VAL 44 HG23 VAL 44 -8.510 -8.095 18.340 352 H GLY 45 H GLY 45 -6.675 -7.308 13.061 353 HA2 GLY 45 HA3 GLY 45 -7.956 -7.475 11.106 354 HA3 GLY 45 HA2 GLY 45 -9.219 -6.536 11.884 355 H GLU 46 H GLU 46 -6.975 -4.499 12.673 356 HA GLU 46 HA GLU 46 -7.026 -3.256 10.046 357 HB2 GLU 46 HB2 GLU 46 -6.886 -1.091 11.222 358 HB3 GLU 46 HB3 GLU 46 -8.375 -1.974 11.461 359 HG2 GLU 46 HG2 GLU 46 -7.448 -2.753 13.643 360 HG3 GLU 46 HG3 GLU 46 -6.099 -1.641 13.388 361 H VAL 47 H VAL 47 -5.411 -2.073 9.233 362 HA VAL 47 HA VAL 47 -2.768 -2.717 10.352 363 HB VAL 47 HB VAL 47 -1.907 -2.715 8.016 364 HG11 VAL 47 HG11 VAL 47 -3.959 -4.830 8.664 365 HG12 VAL 47 HG12 VAL 47 -2.657 -4.988 7.486 366 HG13 VAL 47 HG13 VAL 47 -2.278 -4.808 9.199 367 HG21 VAL 47 HG21 VAL 47 -4.841 -2.791 7.329 368 HG22 VAL 47 HG22 VAL 47 -3.697 -1.510 6.929 369 HG23 VAL 47 HG23 VAL 47 -3.529 -3.105 6.194 370 H TYR 48 H TYR 48 -1.199 -1.182 10.167 371 HA TYR 48 HA TYR 48 -2.197 1.479 9.399 372 HB2 TYR 48 HB2 TYR 48 -1.928 1.283 11.828 373 HB3 TYR 48 HB3 TYR 48 -0.271 0.733 11.617 374 HD1 TYR 48 HD1 TYR 48 -2.485 3.662 10.922 375 HD2 TYR 48 HD2 TYR 48 1.461 2.262 11.681 376 HE1 TYR 48 HE1 TYR 48 -1.695 5.989 11.088 377 HE2 TYR 48 HE2 TYR 48 2.259 4.579 11.846 378 HH TYR 48 HH TYR 48 0.284 7.192 12.254 379 H ILE 49 H ILE 49 -1.186 2.319 7.774 380 HA ILE 49 HA ILE 49 1.406 1.201 6.964 381 HB ILE 49 HB ILE 49 -0.582 2.683 5.220 382 HG12 ILE 49 HG12 ILE 49 -0.791 0.358 4.120 383 HG13 ILE 49 HG13 ILE 49 -0.126 -0.272 5.621 384 HG21 ILE 49 HG21 ILE 49 1.957 1.184 4.585 385 HG22 ILE 49 HG22 ILE 49 0.820 1.788 3.378 386 HG23 ILE 49 HG23 ILE 49 1.672 2.919 4.430 387 HD11 ILE 49 HD11 ILE 49 -2.671 1.308 5.336 388 HD12 ILE 49 HD12 ILE 49 -2.541 -0.431 5.596 389 HD13 ILE 49 HD13 ILE 49 -2.006 0.690 6.849 390 H LYS 50 H LYS 50 3.023 2.467 7.489 391 HA LYS 50 HA LYS 50 2.559 5.364 7.456 392 HB2 LYS 50 HB2 LYS 50 4.034 5.581 9.400 393 HB3 LYS 50 HB3 LYS 50 2.628 4.589 9.756 394 HG2 LYS 50 HG2 LYS 50 3.968 2.580 9.555 395 HG3 LYS 50 HG3 LYS 50 5.381 3.548 9.130 396 HD2 LYS 50 HD2 LYS 50 3.873 3.673 11.742 397 HD3 LYS 50 HD3 LYS 50 5.426 2.875 11.484 398 HE2 LYS 50 HE2 LYS 50 6.410 5.036 10.851 399 HE3 LYS 50 HE3 LYS 50 4.858 5.819 11.149 400 HZ1 LYS 50 HZ1 LYS 50 6.299 6.098 13.034 401 HZ2 LYS 50 HZ2 LYS 50 6.541 4.424 13.160 402 HZ3 LYS 50 HZ3 LYS 50 5.007 5.084 13.472 403 H SER 51 H SER 51 4.239 6.668 6.803 404 HA SER 51 HA SER 51 6.379 5.599 5.299 405 HB2 SER 51 HB2 SER 51 5.240 7.839 4.922 406 HB3 SER 51 HB3 SER 51 5.927 8.378 6.449 407 HG SER 51 HG SER 51 7.402 9.045 5.049 408 H THR 52 H THR 52 8.258 4.945 6.108 409 HA THR 52 HA THR 52 8.945 5.533 8.825 410 HB THR 52 HB THR 52 10.747 4.466 6.632 411 HG1 THR 52 HG1 THR 52 9.358 2.878 8.521 412 HG21 THR 52 HG21 THR 52 11.915 5.205 8.646 413 HG22 THR 52 HG22 THR 52 11.956 3.445 8.515 414 HG23 THR 52 HG23 THR 52 10.843 4.222 9.640 415 H GLU 53 H GLU 53 11.445 6.048 6.462 416 HA GLU 53 HA GLU 53 11.297 8.885 7.214 417 HB2 GLU 53 HB2 GLU 53 13.488 7.664 7.392 418 HB3 GLU 53 HB3 GLU 53 13.496 7.555 5.636 419 HG2 GLU 53 HG2 GLU 53 13.739 9.858 5.374 420 HG3 GLU 53 HG3 GLU 53 13.233 10.189 7.030 421 H THR 54 H THR 54 11.547 6.832 4.373 422 HA THR 54 HA THR 54 10.506 9.007 2.695 423 HB THR 54 HB THR 54 12.011 6.639 1.638 424 HG1 THR 54 HG1 THR 54 13.118 9.055 2.708 425 HG21 THR 54 HG21 THR 54 11.767 9.514 0.733 426 HG22 THR 54 HG22 THR 54 10.949 8.129 0.010 427 HG23 THR 54 HG23 THR 54 12.706 8.262 -0.078 428 H GLY 55 H GLY 55 8.633 6.975 4.159 429 HA2 GLY 55 HA3 GLY 55 8.544 4.907 2.080 430 HA3 GLY 55 HA2 GLY 55 7.903 4.754 3.700 431 H GLN 56 H GLN 56 6.136 7.044 3.684 432 HA GLN 56 HA GLN 56 5.338 8.229 1.521 433 HB2 GLN 56 HB2 GLN 56 3.440 7.193 0.454 434 HB3 GLN 56 HB3 GLN 56 4.883 6.213 0.284 435 HG2 GLN 56 HG2 GLN 56 4.067 4.536 1.608 436 HG3 GLN 56 HG3 GLN 56 2.955 5.609 2.464 437 HE21 GLN 56 HE21 GLN 56 1.999 6.881 0.087 438 HE22 GLN 56 HE22 GLN 56 0.961 5.742 -0.707 439 H TYR 57 H TYR 57 3.668 9.553 1.690 440 HA TYR 57 HA TYR 57 2.035 9.440 4.114 441 HB2 TYR 57 HB2 TYR 57 2.988 11.643 3.788 442 HB3 TYR 57 HB3 TYR 57 2.429 11.699 2.125 443 HD1 TYR 57 HD1 TYR 57 0.891 11.076 5.482 444 HD2 TYR 57 HD2 TYR 57 0.656 13.139 1.768 445 HE1 TYR 57 HE1 TYR 57 -1.156 12.202 6.246 446 HE2 TYR 57 HE2 TYR 57 -1.392 14.268 2.523 447 HH TYR 57 HH TYR 57 -2.404 14.324 5.730 448 H LEU 58 H LEU 58 0.954 7.614 3.275 449 HA LEU 58 HA LEU 58 -0.393 7.857 0.769 450 HB2 LEU 58 HB2 LEU 58 -1.541 5.736 1.569 451 HB3 LEU 58 HB3 LEU 58 0.187 5.651 1.235 452 HG LEU 58 HG LEU 58 -0.715 6.264 3.963 453 HD11 LEU 58 HD11 LEU 58 -2.202 4.435 3.248 454 HD12 LEU 58 HD12 LEU 58 -0.816 3.518 2.658 455 HD13 LEU 58 HD13 LEU 58 -1.008 3.811 4.387 456 HD21 LEU 58 HD21 LEU 58 1.461 4.441 2.955 457 HD22 LEU 58 HD22 LEU 58 1.690 6.120 3.427 458 HD23 LEU 58 HD23 LEU 58 1.186 4.934 4.626 459 H ALA 59 H ALA 59 -1.849 9.225 0.656 460 HA ALA 59 HA ALA 59 -3.901 9.424 2.729 461 HB1 ALA 59 HB1 ALA 59 -3.032 11.477 0.688 462 HB2 ALA 59 HB2 ALA 59 -4.227 11.714 1.966 463 HB3 ALA 59 HB3 ALA 59 -2.525 11.458 2.376 464 H MET 60 H MET 60 -5.680 8.332 2.106 465 HA MET 60 HA MET 60 -6.115 7.829 -0.703 466 HB2 MET 60 HB2 MET 60 -7.329 7.050 1.880 467 HB3 MET 60 HB3 MET 60 -8.427 7.060 0.504 468 HG2 MET 60 HG2 MET 60 -7.170 4.892 1.118 469 HG3 MET 60 HG3 MET 60 -7.318 5.359 -0.572 470 HE1 MET 60 HE1 MET 60 -4.920 5.078 2.530 471 HE2 MET 60 HE2 MET 60 -3.449 5.836 1.919 472 HE3 MET 60 HE3 MET 60 -4.888 6.812 2.210 473 H ASP 61 H ASP 61 -7.061 9.153 -2.090 474 HA ASP 61 HA ASP 61 -8.486 11.485 -1.003 475 HB2 ASP 61 HB2 ASP 61 -6.463 11.739 -2.549 476 HB3 ASP 61 HB3 ASP 61 -7.516 11.125 -3.818 477 H THR 62 H THR 62 -10.479 10.761 -0.744 478 HA THR 62 HA THR 62 -12.595 10.118 -1.169 479 HB THR 62 HB THR 62 -11.898 10.334 -4.092 480 HG1 THR 62 HG1 THR 62 -11.861 12.428 -3.844 481 HG21 THR 62 HG21 THR 62 -14.041 9.262 -3.614 482 HG22 THR 62 HG22 THR 62 -14.288 10.853 -4.334 483 HG23 THR 62 HG23 THR 62 -14.500 10.626 -2.597 484 H ASP 63 H ASP 63 -9.872 8.512 -2.383 485 HA ASP 63 HA ASP 63 -9.311 6.324 -2.112 486 HB2 ASP 63 HB2 ASP 63 -11.191 6.165 -0.455 487 HB3 ASP 63 HB3 ASP 63 -12.251 5.725 -1.786 488 H GLY 64 H GLY 64 -10.490 7.958 -4.311 489 HA2 GLY 64 HA3 GLY 64 -11.045 5.874 -6.311 490 HA3 GLY 64 HA2 GLY 64 -11.168 7.612 -6.566 491 H LEU 65 H LEU 65 -8.579 7.927 -5.164 492 HA LEU 65 HA LEU 65 -6.632 6.687 -6.902 493 HB2 LEU 65 HB2 LEU 65 -5.739 8.696 -7.777 494 HB3 LEU 65 HB3 LEU 65 -7.473 8.779 -8.007 495 HG LEU 65 HG LEU 65 -6.237 10.127 -5.642 496 HD11 LEU 65 HD11 LEU 65 -6.072 12.177 -6.987 497 HD12 LEU 65 HD12 LEU 65 -4.968 10.925 -7.555 498 HD13 LEU 65 HD13 LEU 65 -6.463 11.247 -8.434 499 HD21 LEU 65 HD21 LEU 65 -8.183 11.595 -5.922 500 HD22 LEU 65 HD22 LEU 65 -8.689 10.648 -7.323 501 HD23 LEU 65 HD23 LEU 65 -8.661 9.908 -5.723 502 H LEU 66 H LEU 66 -5.006 6.037 -5.599 503 HA LEU 66 HA LEU 66 -4.829 7.322 -2.983 504 HB2 LEU 66 HB2 LEU 66 -3.426 4.827 -3.863 505 HB3 LEU 66 HB3 LEU 66 -3.784 5.355 -2.232 506 HG LEU 66 HG LEU 66 -5.340 3.762 -2.473 507 HD11 LEU 66 HD11 LEU 66 -6.515 5.965 -2.156 508 HD12 LEU 66 HD12 LEU 66 -6.972 5.822 -3.858 509 HD13 LEU 66 HD13 LEU 66 -7.499 4.603 -2.696 510 HD21 LEU 66 HD21 LEU 66 -4.861 2.923 -4.592 511 HD22 LEU 66 HD22 LEU 66 -6.589 3.282 -4.600 512 HD23 LEU 66 HD23 LEU 66 -5.451 4.383 -5.377 513 H TYR 67 H TYR 67 -3.237 8.598 -2.412 514 HA TYR 67 HA TYR 67 -0.772 8.447 -4.009 515 HB2 TYR 67 HB2 TYR 67 -0.510 10.840 -4.033 516 HB3 TYR 67 HB3 TYR 67 -2.085 10.448 -4.701 517 HD1 TYR 67 HD1 TYR 67 -4.139 10.931 -3.379 518 HD2 TYR 67 HD2 TYR 67 -0.279 12.153 -2.068 519 HE1 TYR 67 HE1 TYR 67 -5.175 12.546 -1.840 520 HE2 TYR 67 HE2 TYR 67 -1.305 13.763 -0.523 521 HH TYR 67 HH TYR 67 -4.547 13.714 0.305 522 H GLY 68 H GLY 68 1.165 9.120 -2.820 523 HA2 GLY 68 HA3 GLY 68 0.842 9.566 -0.013 524 HA3 GLY 68 HA2 GLY 68 1.370 7.936 -0.379 525 H SER 69 H SER 69 2.536 10.666 0.795 526 HA SER 69 HA SER 69 5.115 9.821 -0.342 527 HB2 SER 69 HB2 SER 69 4.317 12.703 -0.520 528 HB3 SER 69 HB3 SER 69 5.900 12.056 -0.949 529 HG SER 69 HG SER 69 4.312 10.564 -2.286 530 H GLN 70 H GLN 70 4.117 12.453 1.970 531 HA GLN 70 HA GLN 70 6.873 12.294 2.897 532 HB2 GLN 70 HB2 GLN 70 5.869 14.466 2.428 533 HB3 GLN 70 HB3 GLN 70 4.714 14.213 3.732 534 HG2 GLN 70 HG2 GLN 70 6.556 14.121 5.338 535 HG3 GLN 70 HG3 GLN 70 7.702 14.406 4.029 536 HE21 GLN 70 HE21 GLN 70 5.235 15.793 6.034 537 HE22 GLN 70 HE22 GLN 70 5.549 17.444 5.625 538 H THR 71 H THR 71 3.740 11.687 4.382 539 HA THR 71 HA THR 71 5.074 11.217 6.992 540 HB THR 71 HB THR 71 2.498 12.781 6.778 541 HG1 THR 71 HG1 THR 71 5.165 13.814 6.689 542 HG21 THR 71 HG21 THR 71 3.241 13.749 8.906 543 HG22 THR 71 HG22 THR 71 4.711 12.776 8.837 544 HG23 THR 71 HG23 THR 71 3.141 11.992 9.008 545 HA PRO 72 HA PRO 72 1.195 8.758 7.045 546 HB2 PRO 72 HB2 PRO 72 1.416 7.358 9.303 547 HB3 PRO 72 HB3 PRO 72 2.504 7.077 7.937 548 HG2 PRO 72 HG2 PRO 72 3.097 8.294 10.547 549 HG3 PRO 72 HG3 PRO 72 4.217 7.659 9.332 550 HD2 PRO 72 HD2 PRO 72 3.350 10.430 9.783 551 HD3 PRO 72 HD3 PRO 72 4.707 9.826 8.804 552 H ASN 73 H ASN 73 -0.447 10.343 7.341 553 HA ASN 73 HA ASN 73 -1.314 10.905 10.097 554 HB2 ASN 73 HB2 ASN 73 -2.147 11.973 7.394 555 HB3 ASN 73 HB3 ASN 73 -3.223 12.117 8.781 556 HD21 ASN 73 HD21 ASN 73 -0.282 13.211 7.314 557 HD22 ASN 73 HD22 ASN 73 0.025 14.513 8.410 558 H GLU 74 H GLU 74 -4.042 10.381 10.144 559 HA GLU 74 HA GLU 74 -3.955 7.877 8.606 560 HB2 GLU 74 HB2 GLU 74 -5.977 7.212 9.974 561 HB3 GLU 74 HB3 GLU 74 -4.461 7.334 10.855 562 HG2 GLU 74 HG2 GLU 74 -5.177 9.627 11.571 563 HG3 GLU 74 HG3 GLU 74 -6.753 9.278 10.863 564 H GLU 75 H GLU 75 -4.280 8.695 6.828 565 HA GLU 75 HA GLU 75 -7.110 8.687 6.049 566 HB2 GLU 75 HB2 GLU 75 -4.626 9.619 4.592 567 HB3 GLU 75 HB3 GLU 75 -6.228 9.537 3.860 568 HG2 GLU 75 HG2 GLU 75 -5.555 11.274 6.223 569 HG3 GLU 75 HG3 GLU 75 -5.472 11.820 4.549 570 H CYS 76 H CYS 76 -4.017 7.416 6.320 571 HA CYS 76 HA CYS 76 -3.932 5.613 4.173 572 HB2 CYS 76 HB2 CYS 76 -1.814 5.022 5.198 573 HB3 CYS 76 HB3 CYS 76 -2.022 6.770 5.256 574 HG CYS 76 HG CYS 76 -0.846 5.342 7.606 575 H LEU 77 H LEU 77 -5.697 5.356 7.030 576 HA LEU 77 HA LEU 77 -4.709 2.771 7.887 577 HB2 LEU 77 HB2 LEU 77 -5.916 4.883 9.186 578 HB3 LEU 77 HB3 LEU 77 -7.205 3.699 9.087 579 HG LEU 77 HG LEU 77 -4.492 3.064 10.236 580 HD11 LEU 77 HD11 LEU 77 -5.550 3.303 12.435 581 HD12 LEU 77 HD12 LEU 77 -5.498 4.831 11.558 582 HD13 LEU 77 HD13 LEU 77 -7.006 3.925 11.657 583 HD21 LEU 77 HD21 LEU 77 -7.166 1.680 10.439 584 HD22 LEU 77 HD22 LEU 77 -5.786 1.136 9.484 585 HD23 LEU 77 HD23 LEU 77 -5.678 1.179 11.244 586 H PHE 78 H PHE 78 -5.545 0.825 7.327 587 HA PHE 78 HA PHE 78 -8.241 0.830 6.201 588 HB2 PHE 78 HB2 PHE 78 -6.215 -1.004 4.973 589 HB3 PHE 78 HB3 PHE 78 -7.730 -0.441 4.328 590 HD1 PHE 78 HD2 PHE 78 -7.818 2.191 3.942 591 HD2 PHE 78 HD1 PHE 78 -4.301 -0.201 4.036 592 HE1 PHE 78 HE2 PHE 78 -6.644 3.867 2.581 593 HE2 PHE 78 HE1 PHE 78 -3.121 1.468 2.672 594 HZ PHE 78 HZ PHE 78 -4.294 3.505 1.944 595 H LEU 79 H LEU 79 -9.220 -1.350 6.153 596 HA LEU 79 HA LEU 79 -8.320 -2.993 8.411 597 HB2 LEU 79 HB2 LEU 79 -10.711 -2.246 8.245 598 HB3 LEU 79 HB3 LEU 79 -10.865 -3.197 6.784 599 HG LEU 79 HG LEU 79 -10.014 -4.550 9.317 600 HD11 LEU 79 HD11 LEU 79 -11.962 -3.214 9.942 601 HD12 LEU 79 HD12 LEU 79 -12.859 -3.875 8.576 602 HD13 LEU 79 HD13 LEU 79 -12.354 -4.933 9.895 603 HD21 LEU 79 HD21 LEU 79 -11.684 -5.413 6.954 604 HD22 LEU 79 HD22 LEU 79 -9.983 -5.804 7.215 605 HD23 LEU 79 HD23 LEU 79 -11.212 -6.430 8.314 606 H GLU 80 H GLU 80 -7.585 -5.103 8.110 607 HA GLU 80 HA GLU 80 -6.773 -5.607 5.339 608 HB2 GLU 80 HB2 GLU 80 -4.961 -5.420 6.945 609 HB3 GLU 80 HB3 GLU 80 -5.675 -6.687 7.933 610 HG2 GLU 80 HG2 GLU 80 -5.335 -8.294 6.127 611 HG3 GLU 80 HG3 GLU 80 -4.619 -7.025 5.133 612 H ARG 81 H ARG 81 -7.655 -7.125 4.208 613 HA ARG 81 HA ARG 81 -8.638 -9.562 5.502 614 HB2 ARG 81 HB2 ARG 81 -10.596 -8.224 4.845 615 HB3 ARG 81 HB3 ARG 81 -9.946 -8.040 3.222 616 HG2 ARG 81 HG2 ARG 81 -10.099 -10.519 2.966 617 HG3 ARG 81 HG3 ARG 81 -10.943 -10.566 4.516 618 HD2 ARG 81 HD2 ARG 81 -12.668 -9.075 3.610 619 HD3 ARG 81 HD3 ARG 81 -11.829 -9.053 2.060 620 HE ARG 81 HE ARG 81 -12.734 -11.619 3.158 621 HH11 ARG 81 HH12 ARG 81 -13.035 -9.120 0.716 622 HH12 ARG 81 HH11 ARG 81 -13.991 -10.105 -0.349 623 HH21 ARG 81 HH22 ARG 81 -13.990 -12.898 1.769 624 HH22 ARG 81 HH21 ARG 81 -14.541 -12.245 0.249 625 H LEU 82 H LEU 82 -7.092 -10.979 4.848 626 HA LEU 82 HA LEU 82 -5.831 -10.512 2.254 627 HB2 LEU 82 HB2 LEU 82 -4.161 -12.226 3.128 628 HB3 LEU 82 HB3 LEU 82 -4.188 -10.659 3.911 629 HG LEU 82 HG LEU 82 -5.831 -12.812 5.133 630 HD11 LEU 82 HD11 LEU 82 -3.879 -13.680 6.345 631 HD12 LEU 82 HD12 LEU 82 -3.762 -13.988 4.613 632 HD13 LEU 82 HD13 LEU 82 -2.822 -12.686 5.341 633 HD21 LEU 82 HD21 LEU 82 -4.060 -10.632 6.234 634 HD22 LEU 82 HD22 LEU 82 -5.817 -10.576 6.088 635 HD23 LEU 82 HD23 LEU 82 -5.060 -11.723 7.192 636 H GLU 83 H GLU 83 -6.944 -11.502 0.677 637 HA GLU 83 HA GLU 83 -7.487 -14.351 1.122 638 HB2 GLU 83 HB2 GLU 83 -9.628 -13.187 1.110 639 HB3 GLU 83 HB3 GLU 83 -9.237 -12.446 -0.436 640 HG2 GLU 83 HG2 GLU 83 -10.754 -14.283 -0.769 641 HG3 GLU 83 HG3 GLU 83 -9.187 -14.671 -1.473 642 H GLU 84 H GLU 84 -5.536 -14.899 0.087 643 HA GLU 84 HA GLU 84 -6.458 -15.669 -2.521 644 HB2 GLU 84 HB2 GLU 84 -4.510 -13.752 -2.549 645 HB3 GLU 84 HB3 GLU 84 -3.537 -15.217 -2.508 646 HG2 GLU 84 HG2 GLU 84 -5.612 -14.473 -4.559 647 HG3 GLU 84 HG3 GLU 84 -3.866 -14.545 -4.785 648 H ASN 85 H ASN 85 -6.592 -16.855 -0.071 649 HA ASN 85 HA ASN 85 -5.671 -18.127 1.554 650 HB2 ASN 85 HB2 ASN 85 -5.114 -20.380 0.922 651 HB3 ASN 85 HB3 ASN 85 -6.408 -19.823 -0.127 652 HD21 ASN 85 HD21 ASN 85 -6.035 -19.618 -2.313 653 HD22 ASN 85 HD22 ASN 85 -4.589 -20.188 -3.079 654 H HIS 86 H HIS 86 -3.977 -16.068 0.467 655 HA HIS 86 HA HIS 86 -1.714 -16.465 2.028 656 HB2 HIS 86 HB2 HIS 86 -1.035 -17.980 0.215 657 HB3 HIS 86 HB3 HIS 86 -1.195 -16.666 -0.942 658 HD1 HIS 86 HD1 HIS 86 1.319 -16.956 -1.579 659 HD2 HIS 86 HD2 HIS 86 0.662 -15.878 2.380 660 HE1 HIS 86 HE1 HIS 86 3.553 -16.199 -0.707 661 HE2 HIS 86 HE2 HIS 86 3.101 -15.405 1.645 662 H TYR 87 H TYR 87 -3.168 -14.604 -0.628 663 HA TYR 87 HA TYR 87 -1.271 -12.438 -0.151 664 HB2 TYR 87 HB2 TYR 87 -3.307 -12.877 -2.324 665 HB3 TYR 87 HB3 TYR 87 -2.401 -11.378 -2.156 666 HD1 TYR 87 HD2 TYR 87 -1.993 -15.039 -2.662 667 HD2 TYR 87 HD1 TYR 87 -0.242 -11.184 -3.048 668 HE1 TYR 87 HE2 TYR 87 -0.150 -16.016 -3.960 669 HE2 TYR 87 HE1 TYR 87 1.609 -12.150 -4.347 670 HH TYR 87 HH TYR 87 1.523 -15.351 -5.569 671 H ASN 88 H ASN 88 -1.852 -10.283 0.172 672 HA ASN 88 HA ASN 88 -4.038 -10.101 2.104 673 HB2 ASN 88 HB2 ASN 88 -1.601 -8.386 1.570 674 HB3 ASN 88 HB3 ASN 88 -2.818 -8.012 2.776 675 HD21 ASN 88 HD21 ASN 88 -2.855 -9.144 4.683 676 HD22 ASN 88 HD22 ASN 88 -1.608 -10.243 5.155 677 H THR 89 H THR 89 -5.661 -8.696 1.940 678 HA THR 89 HA THR 89 -5.596 -6.728 -0.240 679 HB THR 89 HB THR 89 -8.101 -8.049 0.826 680 HG1 THR 89 HG1 THR 89 -6.319 -8.843 -1.226 681 HG21 THR 89 HG21 THR 89 -8.426 -5.910 -0.321 682 HG22 THR 89 HG22 THR 89 -9.060 -7.234 -1.301 683 HG23 THR 89 HG23 THR 89 -7.505 -6.501 -1.706 684 H TYR 90 H TYR 90 -6.885 -4.753 0.322 685 HA TYR 90 HA TYR 90 -7.175 -4.423 3.224 686 HB2 TYR 90 HB2 TYR 90 -5.770 -2.521 1.342 687 HB3 TYR 90 HB3 TYR 90 -6.263 -2.091 2.977 688 HD1 TYR 90 HD1 TYR 90 -5.564 -4.333 4.592 689 HD2 TYR 90 HD2 TYR 90 -3.458 -2.717 1.272 690 HE1 TYR 90 HE1 TYR 90 -3.471 -5.254 5.480 691 HE2 TYR 90 HE2 TYR 90 -1.352 -3.639 2.156 692 HH TYR 90 HH TYR 90 -1.318 -5.853 4.842 693 H ILE 91 H ILE 91 -8.765 -3.013 3.913 694 HA ILE 91 HA ILE 91 -10.666 -2.226 1.814 695 HB ILE 91 HB ILE 91 -11.081 -3.777 4.156 696 HG12 ILE 91 HG12 ILE 91 -13.074 -2.504 2.277 697 HG13 ILE 91 HG13 ILE 91 -12.201 -4.003 1.970 698 HG21 ILE 91 HG21 ILE 91 -12.857 -2.536 5.307 699 HG22 ILE 91 HG22 ILE 91 -11.295 -1.731 5.458 700 HG23 ILE 91 HG23 ILE 91 -12.497 -1.117 4.322 701 HD11 ILE 91 HD11 ILE 91 -14.180 -3.533 4.190 702 HD12 ILE 91 HD12 ILE 91 -14.473 -4.438 2.705 703 HD13 ILE 91 HD13 ILE 91 -13.307 -5.035 3.885 704 H SER 92 H SER 92 -11.486 -0.164 1.922 705 HA SER 92 HA SER 92 -9.550 1.657 3.029 706 HB2 SER 92 HB2 SER 92 -10.356 1.809 0.648 707 HB3 SER 92 HB3 SER 92 -11.928 2.294 1.284 708 HG SER 92 HG SER 92 -9.976 3.869 0.730 709 H LYS 93 H LYS 93 -9.902 1.770 5.095 710 HA LYS 93 HA LYS 93 -12.468 2.100 6.256 711 HB2 LYS 93 HB2 LYS 93 -9.652 2.074 7.198 712 HB3 LYS 93 HB3 LYS 93 -10.866 2.795 8.266 713 HG2 LYS 93 HG2 LYS 93 -12.055 0.462 7.510 714 HG3 LYS 93 HG3 LYS 93 -10.354 0.006 7.554 715 HD2 LYS 93 HD2 LYS 93 -11.886 1.311 9.806 716 HD3 LYS 93 HD3 LYS 93 -11.469 -0.399 9.707 717 HE2 LYS 93 HE2 LYS 93 -9.096 0.170 9.770 718 HE3 LYS 93 HE3 LYS 93 -9.501 1.886 9.832 719 HZ1 LYS 93 HZ1 LYS 93 -10.387 -0.078 11.880 720 HZ2 LYS 93 HZ2 LYS 93 -10.484 1.614 11.967 721 HZ3 LYS 93 HZ3 LYS 93 -8.972 0.848 12.030 722 H LYS 94 H LYS 94 -10.626 4.129 4.473 723 HA LYS 94 HA LYS 94 -11.044 6.681 5.492 724 HB2 LYS 94 HB2 LYS 94 -9.833 6.364 3.388 725 HB3 LYS 94 HB3 LYS 94 -11.240 5.626 2.645 726 HG2 LYS 94 HG2 LYS 94 -10.952 7.843 1.775 727 HG3 LYS 94 HG3 LYS 94 -12.402 7.804 2.791 728 HD2 LYS 94 HD2 LYS 94 -11.143 8.778 4.648 729 HD3 LYS 94 HD3 LYS 94 -9.688 8.809 3.651 730 HE2 LYS 94 HE2 LYS 94 -10.736 10.357 2.114 731 HE3 LYS 94 HE3 LYS 94 -12.249 10.270 3.016 732 HZ1 LYS 94 HZ1 LYS 94 -11.192 11.291 4.895 733 HZ2 LYS 94 HZ2 LYS 94 -10.925 12.262 3.529 734 HZ3 LYS 94 HZ3 LYS 94 -9.681 11.274 4.124 735 H HIS 95 H HIS 95 -13.086 5.476 2.901 736 HA HIS 95 HA HIS 95 -15.407 6.086 4.558 737 HB2 HIS 95 HB2 HIS 95 -16.739 5.682 2.420 738 HB3 HIS 95 HB3 HIS 95 -15.748 7.133 2.490 739 HD1 HIS 95 HD1 HIS 95 -15.685 7.231 -0.080 740 HD2 HIS 95 HD2 HIS 95 -13.969 3.813 1.555 741 HE1 HIS 95 HE1 HIS 95 -14.369 6.172 -1.933 742 HE2 HIS 95 HE2 HIS 95 -13.210 4.193 -0.886 743 H ALA 96 H ALA 96 -14.280 4.057 5.650 744 HA ALA 96 HA ALA 96 -14.562 1.484 4.782 745 HB1 ALA 96 HB1 ALA 96 -13.634 2.108 6.968 746 HB2 ALA 96 HB2 ALA 96 -15.262 2.454 7.552 747 HB3 ALA 96 HB3 ALA 96 -14.816 0.807 7.102 748 H GLU 97 H GLU 97 -17.081 3.592 5.987 749 HA GLU 97 HA GLU 97 -19.121 1.705 6.323 750 HB2 GLU 97 HB2 GLU 97 -19.357 4.635 5.621 751 HB3 GLU 97 HB3 GLU 97 -20.629 3.633 6.307 752 HG2 GLU 97 HG2 GLU 97 -19.488 3.419 8.364 753 HG3 GLU 97 HG3 GLU 97 -18.003 4.087 7.691 754 H LYS 98 H LYS 98 -17.809 3.073 3.412 755 HA LYS 98 HA LYS 98 -20.246 2.452 1.916 756 HB2 LYS 98 HB2 LYS 98 -17.682 3.767 1.015 757 HB3 LYS 98 HB3 LYS 98 -19.114 3.552 0.023 758 HG2 LYS 98 HG2 LYS 98 -19.131 5.118 2.589 759 HG3 LYS 98 HG3 LYS 98 -18.766 5.841 1.025 760 HD2 LYS 98 HD2 LYS 98 -21.062 6.246 1.404 761 HD3 LYS 98 HD3 LYS 98 -20.995 4.928 0.236 762 HE2 LYS 98 HE2 LYS 98 -21.406 3.312 2.007 763 HE3 LYS 98 HE3 LYS 98 -21.411 4.606 3.205 764 HZ1 LYS 98 HZ1 LYS 98 -23.357 5.545 2.156 765 HZ2 LYS 98 HZ2 LYS 98 -23.649 3.928 2.573 766 HZ3 LYS 98 HZ3 LYS 98 -23.339 4.343 0.958 767 H ASN 99 H ASN 99 -17.382 0.889 2.769 768 HA ASN 99 HA ASN 99 -16.874 -1.300 2.420 769 HB2 ASN 99 HB2 ASN 99 -19.393 -1.477 1.941 770 HB3 ASN 99 HB3 ASN 99 -18.947 -1.476 0.241 771 HD21 ASN 99 HD21 ASN 99 -18.718 -3.204 3.265 772 HD22 ASN 99 HD22 ASN 99 -18.311 -4.743 2.574 773 H TRP 100 H TRP 100 -15.892 1.061 0.699 774 HA TRP 100 HA TRP 100 -15.177 -0.079 -1.809 775 HB2 TRP 100 HB2 TRP 100 -14.622 2.418 -0.315 776 HB3 TRP 100 HB3 TRP 100 -13.520 1.976 -1.609 777 HD1 TRP 100 HD1 TRP 100 -17.396 1.598 -1.788 778 HE1 TRP 100 HE1 TRP 100 -18.204 3.115 -3.723 779 HE3 TRP 100 HE3 TRP 100 -12.978 3.743 -2.937 780 HZ2 TRP 100 HZ2 TRP 100 -17.038 5.005 -5.531 781 HZ3 TRP 100 HZ3 TRP 100 -12.853 5.398 -4.767 782 HH2 TRP 100 HH2 TRP 100 -14.838 6.022 -6.029 783 H PHE 101 H PHE 101 -12.807 0.013 -2.476 784 HA PHE 101 HA PHE 101 -11.206 -1.389 -0.429 785 HB2 PHE 101 HB2 PHE 101 -11.159 -1.879 -3.418 786 HB3 PHE 101 HB3 PHE 101 -10.221 -2.737 -2.207 787 HD1 PHE 101 HD1 PHE 101 -13.658 -2.154 -3.447 788 HD2 PHE 101 HD2 PHE 101 -11.091 -4.614 -1.111 789 HE1 PHE 101 HE1 PHE 101 -15.459 -3.818 -3.224 790 HE2 PHE 101 HE2 PHE 101 -12.881 -6.282 -0.889 791 HZ PHE 101 HZ PHE 101 -15.031 -5.941 -2.095 792 H VAL 102 H VAL 102 -9.003 -0.807 -0.321 793 HA VAL 102 HA VAL 102 -8.227 1.423 -2.047 794 HB VAL 102 HB VAL 102 -7.718 1.799 0.278 795 HG11 VAL 102 HG11 VAL 102 -6.146 -0.769 0.178 796 HG12 VAL 102 HG12 VAL 102 -6.170 0.364 1.531 797 HG13 VAL 102 HG13 VAL 102 -7.642 -0.489 1.067 798 HG21 VAL 102 HG21 VAL 102 -5.206 1.164 -1.266 799 HG22 VAL 102 HG22 VAL 102 -6.118 2.671 -1.332 800 HG23 VAL 102 HG23 VAL 102 -5.302 2.198 0.158 801 H GLY 103 H GLY 103 -7.242 0.966 -3.903 802 HA2 GLY 103 HA3 GLY 103 -5.532 -1.439 -3.978 803 HA3 GLY 103 HA2 GLY 103 -6.684 -1.135 -5.250 804 H LEU 104 H LEU 104 -3.810 -1.446 -5.252 805 HA LEU 104 HA LEU 104 -3.180 1.132 -6.465 806 HB2 LEU 104 HB2 LEU 104 -0.805 0.718 -5.533 807 HB3 LEU 104 HB3 LEU 104 -2.037 1.468 -4.550 808 HG LEU 104 HG LEU 104 -2.399 -0.728 -3.429 809 HD11 LEU 104 HD11 LEU 104 0.066 -1.517 -4.977 810 HD12 LEU 104 HD12 LEU 104 -0.668 -2.441 -3.666 811 HD13 LEU 104 HD13 LEU 104 -1.546 -2.205 -5.175 812 HD21 LEU 104 HD21 LEU 104 -0.314 -0.563 -2.126 813 HD22 LEU 104 HD22 LEU 104 0.362 0.477 -3.385 814 HD23 LEU 104 HD23 LEU 104 -1.038 1.013 -2.451 815 H LYS 105 H LYS 105 -2.242 1.062 -8.451 816 HA LYS 105 HA LYS 105 -1.293 -1.618 -9.251 817 HB2 LYS 105 HB2 LYS 105 -2.694 0.311 -10.591 818 HB3 LYS 105 HB3 LYS 105 -1.058 0.618 -11.146 819 HG2 LYS 105 HG2 LYS 105 -2.354 -2.086 -11.289 820 HG3 LYS 105 HG3 LYS 105 -2.465 -0.890 -12.579 821 HD2 LYS 105 HD2 LYS 105 0.085 -0.848 -12.519 822 HD3 LYS 105 HD3 LYS 105 -0.036 -2.320 -11.550 823 HE2 LYS 105 HE2 LYS 105 0.253 -2.917 -13.869 824 HE3 LYS 105 HE3 LYS 105 -1.377 -3.352 -13.351 825 HZ1 LYS 105 HZ1 LYS 105 -0.599 -0.972 -14.952 826 HZ2 LYS 105 HZ2 LYS 105 -2.164 -1.257 -14.365 827 HZ3 LYS 105 HZ3 LYS 105 -1.477 -2.318 -15.495 828 H LYS 106 H LYS 106 0.694 -2.005 -8.410 829 HA LYS 106 HA LYS 106 2.610 0.086 -8.089 830 HB2 LYS 106 HB2 LYS 106 4.155 -1.508 -7.323 831 HB3 LYS 106 HB3 LYS 106 2.607 -2.216 -6.859 832 HG2 LYS 106 HG2 LYS 106 2.664 -3.788 -8.609 833 HG3 LYS 106 HG3 LYS 106 3.933 -2.918 -9.463 834 HD2 LYS 106 HD2 LYS 106 5.500 -3.495 -7.649 835 HD3 LYS 106 HD3 LYS 106 4.217 -4.422 -6.867 836 HE2 LYS 106 HE2 LYS 106 4.085 -5.926 -8.734 837 HE3 LYS 106 HE3 LYS 106 5.215 -4.948 -9.675 838 HZ1 LYS 106 HZ1 LYS 106 6.899 -5.442 -7.926 839 HZ2 LYS 106 HZ2 LYS 106 6.384 -6.805 -8.797 840 HZ3 LYS 106 HZ3 LYS 106 5.802 -6.529 -7.230 841 H ASN 107 H ASN 107 1.778 -2.192 -10.572 842 HA ASN 107 HA ASN 107 4.306 -2.024 -11.860 843 HB2 ASN 107 HB2 ASN 107 2.333 -3.835 -11.981 844 HB3 ASN 107 HB3 ASN 107 1.877 -2.853 -13.380 845 HD21 ASN 107 HD21 ASN 107 2.369 -4.431 -14.875 846 HD22 ASN 107 HD22 ASN 107 3.994 -4.913 -15.233 847 H GLY 108 H GLY 108 1.651 -0.026 -11.557 848 HA2 GLY 108 HA3 GLY 108 2.843 1.729 -13.611 849 HA3 GLY 108 HA2 GLY 108 1.114 1.738 -13.272 850 H SER 109 H SER 109 0.398 2.341 -11.367 851 HA SER 109 HA SER 109 1.830 3.857 -9.463 852 HB2 SER 109 HB2 SER 109 0.704 6.035 -10.064 853 HB3 SER 109 HB3 SER 109 1.926 5.533 -11.232 854 HG SER 109 HG SER 109 0.400 5.076 -12.682 855 H CYS 110 H CYS 110 0.101 4.709 -7.854 856 HA CYS 110 HA CYS 110 -1.833 2.521 -7.909 857 HB2 CYS 110 HB2 CYS 110 -0.775 4.238 -5.700 858 HB3 CYS 110 HB3 CYS 110 -1.737 2.776 -5.489 859 HG CYS 110 HG CYS 110 1.507 3.126 -5.840 860 H LYS 111 H LYS 111 -3.702 3.233 -8.798 861 HA LYS 111 HA LYS 111 -5.122 5.293 -7.346 862 HB2 LYS 111 HB2 LYS 111 -6.171 5.946 -9.651 863 HB3 LYS 111 HB3 LYS 111 -4.668 6.691 -9.135 864 HG2 LYS 111 HG2 LYS 111 -4.533 4.221 -10.794 865 HG3 LYS 111 HG3 LYS 111 -4.964 5.747 -11.574 866 HD2 LYS 111 HD2 LYS 111 -2.499 5.318 -9.878 867 HD3 LYS 111 HD3 LYS 111 -2.527 5.234 -11.641 868 HE2 LYS 111 HE2 LYS 111 -3.190 7.545 -11.793 869 HE3 LYS 111 HE3 LYS 111 -3.368 7.651 -10.042 870 HZ1 LYS 111 HZ1 LYS 111 -1.062 7.514 -9.738 871 HZ2 LYS 111 HZ2 LYS 111 -1.258 8.593 -11.035 872 HZ3 LYS 111 HZ3 LYS 111 -0.781 6.992 -11.327 873 H ARG 112 H ARG 112 -6.800 3.954 -6.490 874 HA ARG 112 HA ARG 112 -8.213 2.611 -8.636 875 HB2 ARG 112 HB2 ARG 112 -7.267 1.166 -6.189 876 HB3 ARG 112 HB3 ARG 112 -8.552 0.559 -7.225 877 HG2 ARG 112 HG2 ARG 112 -5.770 1.214 -8.157 878 HG3 ARG 112 HG3 ARG 112 -6.321 -0.414 -7.704 879 HD2 ARG 112 HD2 ARG 112 -8.127 -0.171 -9.437 880 HD3 ARG 112 HD3 ARG 112 -7.330 1.308 -9.963 881 HE ARG 112 HE ARG 112 -6.218 -1.407 -10.182 882 HH11 ARG 112 HH12 ARG 112 -6.164 1.981 -11.024 883 HH12 ARG 112 HH11 ARG 112 -5.144 1.756 -12.411 884 HH21 ARG 112 HH22 ARG 112 -4.903 -1.728 -12.044 885 HH22 ARG 112 HH21 ARG 112 -4.444 -0.350 -13.006 886 H GLY 113 H GLY 113 -9.814 4.363 -8.227 887 HA2 GLY 113 HA3 GLY 113 -11.574 3.517 -6.029 888 HA3 GLY 113 HA2 GLY 113 -11.788 4.951 -7.038 889 HA PRO 114 HA PRO 114 -14.431 2.827 -9.852 890 HB2 PRO 114 HB2 PRO 114 -12.598 3.095 -12.148 891 HB3 PRO 114 HB3 PRO 114 -14.225 3.744 -11.925 892 HG2 PRO 114 HG2 PRO 114 -12.066 5.327 -11.847 893 HG3 PRO 114 HG3 PRO 114 -13.469 5.614 -10.800 894 HD2 PRO 114 HD2 PRO 114 -10.834 4.357 -10.140 895 HD3 PRO 114 HD3 PRO 114 -11.814 5.490 -9.184 896 H ARG 115 H ARG 115 -11.304 1.545 -9.301 897 HA ARG 115 HA ARG 115 -12.165 -0.938 -10.601 898 HB2 ARG 115 HB2 ARG 115 -9.399 0.234 -10.451 899 HB3 ARG 115 HB3 ARG 115 -9.664 -1.478 -10.742 900 HG2 ARG 115 HG2 ARG 115 -9.373 -0.524 -12.862 901 HG3 ARG 115 HG3 ARG 115 -11.110 -0.775 -12.706 902 HD2 ARG 115 HD2 ARG 115 -11.272 1.622 -11.953 903 HD3 ARG 115 HD3 ARG 115 -9.586 1.803 -12.428 904 HE ARG 115 HE ARG 115 -11.436 0.804 -14.450 905 HH11 ARG 115 HH12 ARG 115 -9.568 3.469 -13.168 906 HH12 ARG 115 HH11 ARG 115 -9.754 4.455 -14.588 907 HH21 ARG 115 HH22 ARG 115 -11.680 2.075 -16.320 908 HH22 ARG 115 HH21 ARG 115 -10.947 3.648 -16.394 909 H THR 116 H THR 116 -11.556 0.537 -7.609 910 HA THR 116 HA THR 116 -10.739 -1.924 -6.380 911 HB THR 116 HB THR 116 -11.460 -0.654 -4.260 912 HG1 THR 116 HG1 THR 116 -11.103 1.700 -4.796 913 HG21 THR 116 HG21 THR 116 -9.137 0.176 -5.999 914 HG22 THR 116 HG22 THR 116 -9.184 -1.216 -4.915 915 HG23 THR 116 HG23 THR 116 -9.249 0.417 -4.254 916 H HIS 117 H HIS 117 -11.908 -3.450 -6.485 917 HA HIS 117 HA HIS 117 -14.218 -4.268 -5.416 918 HB2 HIS 117 HB2 HIS 117 -14.708 -2.707 -7.958 919 HB3 HIS 117 HB3 HIS 117 -15.585 -4.214 -7.730 920 HD1 HIS 117 HD1 HIS 117 -16.063 -0.760 -7.294 921 HD2 HIS 117 HD2 HIS 117 -16.859 -4.083 -4.924 922 HE1 HIS 117 HE1 HIS 117 -17.823 -0.022 -5.661 923 HE2 HIS 117 HE2 HIS 117 -18.087 -1.968 -4.084 924 H TYR 118 H TYR 118 -14.863 -6.326 -7.176 925 HA TYR 118 HA TYR 118 -12.158 -7.025 -8.000 926 HB2 TYR 118 HB2 TYR 118 -14.765 -8.533 -8.135 927 HB3 TYR 118 HB3 TYR 118 -13.263 -9.168 -8.806 928 HD1 TYR 118 HD2 TYR 118 -11.335 -9.609 -7.270 929 HD2 TYR 118 HD1 TYR 118 -15.206 -8.632 -5.805 930 HE1 TYR 118 HE2 TYR 118 -10.706 -10.465 -5.053 931 HE2 TYR 118 HE1 TYR 118 -14.587 -9.481 -3.583 932 HH TYR 118 HH TYR 118 -11.357 -10.232 -2.736 933 H GLY 119 H GLY 119 -12.068 -5.217 -9.258 934 HA2 GLY 119 HA3 GLY 119 -12.961 -5.626 -12.018 935 HA3 GLY 119 HA2 GLY 119 -12.347 -4.103 -11.352 936 H GLN 120 H GLN 120 -10.269 -5.114 -9.864 937 HA GLN 120 HA GLN 120 -8.379 -6.088 -11.896 938 HB2 GLN 120 HB2 GLN 120 -8.156 -3.531 -10.291 939 HB3 GLN 120 HB3 GLN 120 -6.784 -4.275 -11.111 940 HG2 GLN 120 HG2 GLN 120 -9.315 -3.305 -12.438 941 HG3 GLN 120 HG3 GLN 120 -7.790 -2.427 -12.385 942 HE21 GLN 120 HE21 GLN 120 -6.150 -4.774 -12.778 943 HE22 GLN 120 HE22 GLN 120 -6.341 -5.242 -14.431 944 H LYS 121 H LYS 121 -6.703 -7.287 -11.086 945 HA LYS 121 HA LYS 121 -6.892 -8.047 -8.295 946 HB2 LYS 121 HB2 LYS 121 -5.351 -9.147 -10.633 947 HB3 LYS 121 HB3 LYS 121 -4.978 -9.642 -8.989 948 HG2 LYS 121 HG2 LYS 121 -6.423 -11.287 -9.808 949 HG3 LYS 121 HG3 LYS 121 -7.432 -10.272 -8.780 950 HD2 LYS 121 HD2 LYS 121 -8.676 -10.721 -10.755 951 HD3 LYS 121 HD3 LYS 121 -8.132 -9.044 -10.861 952 HE2 LYS 121 HE2 LYS 121 -7.784 -10.028 -12.997 953 HE3 LYS 121 HE3 LYS 121 -6.202 -9.856 -12.239 954 HZ1 LYS 121 HZ1 LYS 121 -6.350 -12.217 -11.589 955 HZ2 LYS 121 HZ2 LYS 121 -6.364 -11.996 -13.268 956 HZ3 LYS 121 HZ3 LYS 121 -7.806 -12.346 -12.450 957 H ALA 122 H ALA 122 -5.667 -5.471 -9.580 958 HA ALA 122 HA ALA 122 -3.056 -5.368 -8.408 959 HB1 ALA 122 HB1 ALA 122 -3.212 -2.949 -8.794 960 HB2 ALA 122 HB2 ALA 122 -3.663 -3.865 -10.231 961 HB3 ALA 122 HB3 ALA 122 -4.913 -3.132 -9.226 962 H ILE 123 H ILE 123 -6.104 -5.564 -7.169 963 HA ILE 123 HA ILE 123 -5.561 -4.085 -4.725 964 HB ILE 123 HB ILE 123 -7.879 -5.936 -5.315 965 HG12 ILE 123 HG12 ILE 123 -7.695 -2.950 -5.767 966 HG13 ILE 123 HG13 ILE 123 -7.692 -4.171 -7.035 967 HG21 ILE 123 HG21 ILE 123 -7.592 -5.366 -2.956 968 HG22 ILE 123 HG22 ILE 123 -7.561 -3.650 -3.362 969 HG23 ILE 123 HG23 ILE 123 -9.033 -4.588 -3.610 970 HD11 ILE 123 HD11 ILE 123 -9.873 -3.149 -6.805 971 HD12 ILE 123 HD12 ILE 123 -9.933 -4.859 -6.373 972 HD13 ILE 123 HD13 ILE 123 -9.934 -3.629 -5.109 973 H LEU 124 H LEU 124 -4.571 -6.894 -6.043 974 HA LEU 124 HA LEU 124 -4.415 -8.310 -3.476 975 HB2 LEU 124 HB2 LEU 124 -3.716 -9.203 -6.275 976 HB3 LEU 124 HB3 LEU 124 -3.458 -10.174 -4.838 977 HG LEU 124 HG LEU 124 -6.131 -9.251 -5.901 978 HD11 LEU 124 HD11 LEU 124 -6.502 -11.635 -6.326 979 HD12 LEU 124 HD12 LEU 124 -5.129 -11.013 -7.244 980 HD13 LEU 124 HD13 LEU 124 -4.855 -11.982 -5.796 981 HD21 LEU 124 HD21 LEU 124 -5.483 -10.995 -3.523 982 HD22 LEU 124 HD22 LEU 124 -6.110 -9.348 -3.456 983 HD23 LEU 124 HD23 LEU 124 -7.097 -10.639 -4.141 984 H PHE 125 H PHE 125 -2.773 -7.752 -2.255 985 HA PHE 125 HA PHE 125 -0.147 -7.383 -3.529 986 HB2 PHE 125 HB2 PHE 125 -0.125 -5.708 -1.299 987 HB3 PHE 125 HB3 PHE 125 -0.125 -5.218 -2.990 988 HD1 PHE 125 HD1 PHE 125 -2.330 -5.942 -0.100 989 HD2 PHE 125 HD2 PHE 125 -1.949 -4.079 -3.904 990 HE1 PHE 125 HE1 PHE 125 -4.489 -4.814 0.237 991 HE2 PHE 125 HE2 PHE 125 -4.107 -2.948 -3.572 992 HZ PHE 125 HZ PHE 125 -5.380 -3.317 -1.498 993 H LEU 126 H LEU 126 1.667 -7.657 -2.118 994 HA LEU 126 HA LEU 126 1.100 -8.898 0.460 995 HB2 LEU 126 HB2 LEU 126 2.869 -10.540 0.147 996 HB3 LEU 126 HB3 LEU 126 1.632 -10.732 -1.077 997 HG LEU 126 HG LEU 126 4.131 -9.185 -1.689 998 HD11 LEU 126 HD11 LEU 126 3.780 -12.177 -1.856 999 HD12 LEU 126 HD12 LEU 126 5.132 -11.261 -2.525 1000 HD13 LEU 126 HD13 LEU 126 4.881 -11.315 -0.780 1001 HD21 LEU 126 HD21 LEU 126 2.257 -10.845 -3.375 1002 HD22 LEU 126 HD22 LEU 126 2.263 -9.085 -3.272 1003 HD23 LEU 126 HD23 LEU 126 3.647 -9.933 -3.960 1004 HA PRO 127 HA PRO 127 4.302 -5.980 1.411 1005 HB2 PRO 127 HB2 PRO 127 3.778 -5.999 4.099 1006 HB3 PRO 127 HB3 PRO 127 2.774 -5.165 2.913 1007 HG2 PRO 127 HG2 PRO 127 2.102 -7.468 4.509 1008 HG3 PRO 127 HG3 PRO 127 1.077 -6.593 3.361 1009 HD2 PRO 127 HD2 PRO 127 2.637 -9.083 2.976 1010 HD3 PRO 127 HD3 PRO 127 1.199 -8.503 2.106 1011 H LEU 128 H LEU 128 6.297 -6.755 1.190 1012 HA LEU 128 HA LEU 128 7.289 -8.780 3.058 1013 HB2 LEU 128 HB2 LEU 128 7.722 -9.800 1.083 1014 HB3 LEU 128 HB3 LEU 128 7.564 -8.312 0.172 1015 HG LEU 128 HG LEU 128 9.881 -7.731 1.069 1016 HD11 LEU 128 HD11 LEU 128 9.901 -10.709 1.558 1017 HD12 LEU 128 HD12 LEU 128 11.308 -9.646 1.615 1018 HD13 LEU 128 HD13 LEU 128 10.009 -9.455 2.793 1019 HD21 LEU 128 HD21 LEU 128 9.442 -8.272 -1.253 1020 HD22 LEU 128 HD22 LEU 128 10.965 -8.996 -0.736 1021 HD23 LEU 128 HD23 LEU 128 9.520 -9.997 -0.887 1022 HA PRO 129 HA PRO 129 9.540 -5.279 4.523 1023 HB2 PRO 129 HB2 PRO 129 10.782 -6.407 6.601 1024 HB3 PRO 129 HB3 PRO 129 9.021 -6.224 6.566 1025 HG2 PRO 129 HG2 PRO 129 10.681 -8.651 6.015 1026 HG3 PRO 129 HG3 PRO 129 9.169 -8.512 6.931 1027 HD2 PRO 129 HD2 PRO 129 9.345 -9.342 4.299 1028 HD3 PRO 129 HD3 PRO 129 7.887 -8.663 5.049 1029 H VAL 130 H VAL 130 11.657 -4.441 4.671 1030 HA VAL 130 HA VAL 130 13.445 -5.744 2.777 1031 HB VAL 130 HB VAL 130 13.818 -3.007 3.977 1032 HG11 VAL 130 HG11 VAL 130 15.064 -2.569 1.914 1033 HG12 VAL 130 HG12 VAL 130 15.740 -3.923 2.819 1034 HG13 VAL 130 HG13 VAL 130 14.756 -4.224 1.387 1035 HG21 VAL 130 HG21 VAL 130 12.668 -2.069 2.012 1036 HG22 VAL 130 HG22 VAL 130 12.216 -3.700 1.518 1037 HG23 VAL 130 HG23 VAL 130 11.587 -3.028 3.023 1038 H SER 131 H SER 131 15.669 -6.030 3.297 1039 HA SER 131 HA SER 131 16.027 -6.405 6.186 1040 HB2 SER 131 HB2 SER 131 17.403 -7.895 3.943 1041 HB3 SER 131 HB3 SER 131 17.451 -8.282 5.665 1042 HG SER 131 HG SER 131 14.901 -8.108 4.822 1043 H SER 132 H SER 132 17.410 -5.082 7.109 1044 HA SER 132 HA SER 132 19.667 -4.042 5.546 1045 HB2 SER 132 HB2 SER 132 18.571 -3.084 8.209 1046 HB3 SER 132 HB3 SER 132 19.849 -2.311 7.271 1047 HG SER 132 HG SER 132 18.331 -1.894 5.635 1048 H ASP 133 H ASP 133 20.809 -6.016 5.709 1049 HA ASP 133 HA ASP 133 21.784 -6.651 8.409 1050 HB2 ASP 133 HB2 ASP 133 20.087 -8.301 7.568 1051 HB3 ASP 133 HB3 ASP 133 21.182 -8.674 6.240 Start of MODEL 19 1 H1 TYR 1 H1 TYR 1 13.727 -10.647 10.881 2 H2 TYR 1 H2 TYR 1 12.256 -10.696 10.041 3 H3 TYR 1 H3 TYR 1 12.498 -9.548 11.263 4 HA TYR 1 HA TYR 1 14.272 -8.525 9.961 5 HB2 TYR 1 HB2 TYR 1 13.342 -10.510 7.878 6 HB3 TYR 1 HB3 TYR 1 14.383 -9.130 7.543 7 HD1 TYR 1 HD2 TYR 1 16.637 -9.035 8.758 8 HD2 TYR 1 HD1 TYR 1 14.242 -12.547 8.572 9 HE1 TYR 1 HE2 TYR 1 18.602 -10.400 9.317 10 HE2 TYR 1 HE1 TYR 1 16.203 -13.920 9.135 11 HH TYR 1 HH TYR 1 18.694 -13.733 8.945 12 H LYS 2 H LYS 2 12.303 -7.245 10.763 13 HA LYS 2 HA LYS 2 11.254 -6.019 8.365 14 HB2 LYS 2 HB2 LYS 2 8.971 -6.218 8.775 15 HB3 LYS 2 HB3 LYS 2 9.579 -7.822 9.148 16 HG2 LYS 2 HG2 LYS 2 9.040 -5.707 11.221 17 HG3 LYS 2 HG3 LYS 2 7.878 -6.942 10.740 18 HD2 LYS 2 HD2 LYS 2 9.328 -8.690 11.521 19 HD3 LYS 2 HD3 LYS 2 10.623 -7.534 11.843 20 HE2 LYS 2 HE2 LYS 2 9.334 -6.501 13.591 21 HE3 LYS 2 HE3 LYS 2 7.930 -7.491 13.196 22 HZ1 LYS 2 HZ1 LYS 2 9.151 -9.451 13.858 23 HZ2 LYS 2 HZ2 LYS 2 9.109 -8.337 15.132 24 HZ3 LYS 2 HZ3 LYS 2 10.525 -8.524 14.215 25 H LYS 3 H LYS 3 11.057 -3.923 8.547 26 HA LYS 3 HA LYS 3 10.030 -2.704 10.907 27 HB2 LYS 3 HB2 LYS 3 12.813 -1.996 9.968 28 HB3 LYS 3 HB3 LYS 3 11.810 -0.826 10.808 29 HG2 LYS 3 HG2 LYS 3 12.702 -3.483 11.907 30 HG3 LYS 3 HG3 LYS 3 13.401 -1.911 12.302 31 HD2 LYS 3 HD2 LYS 3 11.309 -1.189 13.282 32 HD3 LYS 3 HD3 LYS 3 10.524 -2.689 12.785 33 HE2 LYS 3 HE2 LYS 3 11.081 -2.830 15.120 34 HE3 LYS 3 HE3 LYS 3 12.101 -3.944 14.213 35 HZ1 LYS 3 HZ1 LYS 3 13.434 -2.810 15.809 36 HZ2 LYS 3 HZ2 LYS 3 12.879 -1.293 15.299 37 HZ3 LYS 3 HZ3 LYS 3 13.864 -2.222 14.277 38 HA PRO 4 HA PRO 4 9.260 -0.381 6.962 39 HB2 PRO 4 HB2 PRO 4 11.132 -0.136 5.036 40 HB3 PRO 4 HB3 PRO 4 11.118 0.900 6.465 41 HG2 PRO 4 HG2 PRO 4 12.992 -1.225 5.734 42 HG3 PRO 4 HG3 PRO 4 13.168 0.058 6.940 43 HD2 PRO 4 HD2 PRO 4 12.389 -2.718 7.321 44 HD3 PRO 4 HD3 PRO 4 12.784 -1.494 8.544 45 H LYS 5 H LYS 5 8.005 -1.260 5.372 46 HA LYS 5 HA LYS 5 8.949 -3.758 4.121 47 HB2 LYS 5 HB2 LYS 5 6.093 -2.870 4.616 48 HB3 LYS 5 HB3 LYS 5 6.569 -4.347 3.789 49 HG2 LYS 5 HG2 LYS 5 7.775 -4.992 5.919 50 HG3 LYS 5 HG3 LYS 5 6.933 -3.646 6.685 51 HD2 LYS 5 HD2 LYS 5 4.784 -4.643 6.120 52 HD3 LYS 5 HD3 LYS 5 5.600 -5.966 5.283 53 HE2 LYS 5 HE2 LYS 5 6.727 -6.524 7.448 54 HE3 LYS 5 HE3 LYS 5 5.697 -5.325 8.226 55 HZ1 LYS 5 HZ1 LYS 5 3.760 -6.585 7.628 56 HZ2 LYS 5 HZ2 LYS 5 4.854 -7.618 8.409 57 HZ3 LYS 5 HZ3 LYS 5 4.690 -7.683 6.726 58 H LEU 6 H LEU 6 8.004 -4.089 1.890 59 HA LEU 6 HA LEU 6 7.660 -1.506 0.541 60 HB2 LEU 6 HB2 LEU 6 8.474 -2.603 -1.535 61 HB3 LEU 6 HB3 LEU 6 9.681 -2.416 -0.287 62 HG LEU 6 HG LEU 6 9.479 -4.833 0.241 63 HD11 LEU 6 HD11 LEU 6 8.322 -6.305 -1.345 64 HD12 LEU 6 HD12 LEU 6 7.189 -5.244 -0.509 65 HD13 LEU 6 HD13 LEU 6 7.663 -4.895 -2.173 66 HD21 LEU 6 HD21 LEU 6 11.112 -3.899 -1.396 67 HD22 LEU 6 HD22 LEU 6 10.674 -5.588 -1.682 68 HD23 LEU 6 HD23 LEU 6 9.964 -4.315 -2.674 69 H LEU 7 H LEU 7 6.145 -1.377 -1.117 70 HA LEU 7 HA LEU 7 4.069 -3.445 -0.939 71 HB2 LEU 7 HB2 LEU 7 3.229 -1.304 -0.305 72 HB3 LEU 7 HB3 LEU 7 3.936 -0.540 -1.717 73 HG LEU 7 HG LEU 7 2.062 -2.656 -2.446 74 HD11 LEU 7 HD11 LEU 7 1.015 -2.002 -0.342 75 HD12 LEU 7 HD12 LEU 7 1.039 -0.312 -0.848 76 HD13 LEU 7 HD13 LEU 7 0.051 -1.481 -1.723 77 HD21 LEU 7 HD21 LEU 7 2.907 -0.989 -4.024 78 HD22 LEU 7 HD22 LEU 7 1.154 -0.887 -3.875 79 HD23 LEU 7 HD23 LEU 7 2.178 0.300 -3.067 80 H TYR 8 H TYR 8 4.624 -4.942 -2.596 81 HA TYR 8 HA TYR 8 4.040 -3.626 -5.156 82 HB2 TYR 8 HB2 TYR 8 4.923 -5.559 -6.281 83 HB3 TYR 8 HB3 TYR 8 6.152 -4.806 -5.294 84 HD1 TYR 8 HD2 TYR 8 6.367 -6.013 -2.871 85 HD2 TYR 8 HD1 TYR 8 4.806 -7.788 -6.405 86 HE1 TYR 8 HE2 TYR 8 6.893 -8.246 -1.982 87 HE2 TYR 8 HE1 TYR 8 5.332 -10.020 -5.532 88 HH TYR 8 HH TYR 8 6.120 -10.593 -2.314 89 H CYS 9 H CYS 9 1.760 -3.633 -5.196 90 HA CYS 9 HA CYS 9 0.742 -6.403 -5.118 91 HB2 CYS 9 HB2 CYS 9 -0.997 -4.016 -4.692 92 HB3 CYS 9 HB3 CYS 9 -1.168 -5.655 -4.061 93 HG CYS 9 HG CYS 9 -0.434 -3.429 -2.188 94 H SER 10 H SER 10 1.578 -5.853 -7.531 95 HA SER 10 HA SER 10 -0.898 -7.049 -8.428 96 HB2 SER 10 HB2 SER 10 -0.336 -5.137 -10.009 97 HB3 SER 10 HB3 SER 10 1.249 -5.866 -10.257 98 HG SER 10 HG SER 10 -1.287 -6.938 -10.949 99 H ASN 11 H ASN 11 -0.070 -9.408 -9.254 100 HA ASN 11 HA ASN 11 2.400 -9.842 -7.791 101 HB2 ASN 11 HB2 ASN 11 0.541 -11.588 -8.020 102 HB3 ASN 11 HB3 ASN 11 1.128 -11.849 -9.661 103 HD21 ASN 11 HD21 ASN 11 1.076 -13.658 -7.356 104 HD22 ASN 11 HD22 ASN 11 2.713 -14.159 -7.107 105 H GLY 12 H GLY 12 4.042 -8.834 -8.637 106 HA2 GLY 12 HA3 GLY 12 5.163 -9.705 -11.157 107 HA3 GLY 12 HA2 GLY 12 4.732 -7.999 -11.099 108 H GLY 13 H GLY 13 6.473 -6.802 -10.775 109 HA2 GLY 13 HA3 GLY 13 7.610 -6.871 -8.161 110 HA3 GLY 13 HA2 GLY 13 8.790 -7.337 -9.376 111 H HIS 14 H HIS 14 6.529 -4.797 -8.489 112 HA HIS 14 HA HIS 14 8.583 -2.814 -9.140 113 HB2 HIS 14 HB2 HIS 14 5.726 -2.820 -9.897 114 HB3 HIS 14 HB3 HIS 14 6.278 -1.328 -9.146 115 HD1 HIS 14 HD1 HIS 14 5.638 -0.494 -11.709 116 HD2 HIS 14 HD2 HIS 14 9.136 -2.661 -11.165 117 HE1 HIS 14 HE1 HIS 14 6.999 -0.102 -13.782 118 HE2 HIS 14 HE2 HIS 14 9.163 -1.334 -13.387 119 H PHE 15 H PHE 15 8.153 -0.783 -7.625 120 HA PHE 15 HA PHE 15 7.335 -1.800 -5.024 121 HB2 PHE 15 HB2 PHE 15 10.005 -0.470 -5.530 122 HB3 PHE 15 HB3 PHE 15 9.400 -1.043 -3.981 123 HD1 PHE 15 HD2 PHE 15 8.479 -3.677 -4.369 124 HD2 PHE 15 HD1 PHE 15 11.750 -1.737 -6.276 125 HE1 PHE 15 HE2 PHE 15 9.528 -5.863 -4.785 126 HE2 PHE 15 HE1 PHE 15 12.804 -3.920 -6.697 127 HZ PHE 15 HZ PHE 15 11.693 -5.986 -5.950 128 H LEU 16 H LEU 16 6.512 -0.291 -3.741 129 HA LEU 16 HA LEU 16 5.609 2.126 -4.801 130 HB2 LEU 16 HB2 LEU 16 4.325 0.674 -3.280 131 HB3 LEU 16 HB3 LEU 16 5.513 0.915 -2.025 132 HG LEU 16 HG LEU 16 3.759 3.122 -3.107 133 HD11 LEU 16 HD11 LEU 16 3.420 1.395 -0.657 134 HD12 LEU 16 HD12 LEU 16 2.441 2.805 -1.065 135 HD13 LEU 16 HD13 LEU 16 2.399 1.373 -2.095 136 HD21 LEU 16 HD21 LEU 16 5.412 2.930 -0.585 137 HD22 LEU 16 HD22 LEU 16 5.807 3.904 -2.001 138 HD23 LEU 16 HD23 LEU 16 4.373 4.279 -1.045 139 H ARG 17 H ARG 17 6.595 3.883 -4.838 140 HA ARG 17 HA ARG 17 8.902 4.442 -3.096 141 HB2 ARG 17 HB2 ARG 17 9.808 3.563 -5.098 142 HB3 ARG 17 HB3 ARG 17 8.610 4.367 -6.091 143 HG2 ARG 17 HG2 ARG 17 9.763 6.538 -5.282 144 HG3 ARG 17 HG3 ARG 17 11.104 5.454 -4.881 145 HD2 ARG 17 HD2 ARG 17 11.425 6.275 -7.126 146 HD3 ARG 17 HD3 ARG 17 11.002 4.557 -7.194 147 HE ARG 17 HE ARG 17 8.603 5.701 -7.477 148 HH11 ARG 17 HH12 ARG 17 11.651 6.301 -9.098 149 HH12 ARG 17 HH11 ARG 17 10.901 6.862 -10.559 150 HH21 ARG 17 HH22 ARG 17 7.613 6.415 -9.386 151 HH22 ARG 17 HH21 ARG 17 8.604 6.951 -10.717 152 H ILE 18 H ILE 18 9.090 6.680 -2.550 153 HA ILE 18 HA ILE 18 6.802 8.252 -3.425 154 HB ILE 18 HB ILE 18 7.185 9.714 -1.635 155 HG12 ILE 18 HG12 ILE 18 9.756 8.302 -0.938 156 HG13 ILE 18 HG13 ILE 18 9.712 9.757 -1.930 157 HG21 ILE 18 HG21 ILE 18 7.151 8.218 0.301 158 HG22 ILE 18 HG22 ILE 18 6.159 7.615 -1.027 159 HG23 ILE 18 HG23 ILE 18 7.746 6.909 -0.721 160 HD11 ILE 18 HD11 ILE 18 8.710 9.524 0.899 161 HD12 ILE 18 HD12 ILE 18 10.227 10.268 0.391 162 HD13 ILE 18 HD13 ILE 18 8.689 10.984 -0.092 163 H LEU 19 H LEU 19 6.902 9.946 -4.656 164 HA LEU 19 HA LEU 19 9.471 11.344 -4.954 165 HB2 LEU 19 HB2 LEU 19 7.153 11.184 -6.898 166 HB3 LEU 19 HB3 LEU 19 8.497 12.295 -7.070 167 HG LEU 19 HG LEU 19 8.624 9.282 -7.202 168 HD11 LEU 19 HD11 LEU 19 9.132 11.412 -9.274 169 HD12 LEU 19 HD12 LEU 19 9.330 9.674 -9.505 170 HD13 LEU 19 HD13 LEU 19 7.728 10.346 -9.202 171 HD21 LEU 19 HD21 LEU 19 11.000 9.561 -7.690 172 HD22 LEU 19 HD22 LEU 19 10.859 11.297 -7.411 173 HD23 LEU 19 HD23 LEU 19 10.607 10.167 -6.081 174 HA PRO 20 HA PRO 20 7.530 14.412 -2.578 175 HB2 PRO 20 HB2 PRO 20 9.011 16.514 -3.950 176 HB3 PRO 20 HB3 PRO 20 9.218 15.908 -2.303 177 HG2 PRO 20 HG2 PRO 20 11.052 15.466 -4.225 178 HG3 PRO 20 HG3 PRO 20 10.710 14.269 -2.962 179 HD2 PRO 20 HD2 PRO 20 9.739 14.352 -5.801 180 HD3 PRO 20 HD3 PRO 20 10.353 12.973 -4.862 181 H ASP 21 H ASP 21 6.831 14.148 -5.701 182 HA ASP 21 HA ASP 21 5.338 16.620 -6.010 183 HB2 ASP 21 HB2 ASP 21 5.515 14.204 -7.827 184 HB3 ASP 21 HB3 ASP 21 4.743 15.736 -8.227 185 H GLY 22 H GLY 22 4.919 13.629 -4.580 186 HA2 GLY 22 HA3 GLY 22 3.050 13.228 -3.181 187 HA3 GLY 22 HA2 GLY 22 2.068 14.221 -4.248 188 H THR 23 H THR 23 4.120 11.331 -4.764 189 HA THR 23 HA THR 23 1.781 10.002 -5.912 190 HB THR 23 HB THR 23 4.514 9.317 -6.789 191 HG1 THR 23 HG1 THR 23 3.064 11.522 -7.919 192 HG21 THR 23 HG21 THR 23 1.864 9.529 -8.203 193 HG22 THR 23 HG22 THR 23 2.588 8.055 -7.566 194 HG23 THR 23 HG23 THR 23 3.352 8.904 -8.909 195 H VAL 24 H VAL 24 1.453 7.975 -5.162 196 HA VAL 24 HA VAL 24 3.720 6.623 -3.844 197 HB VAL 24 HB VAL 24 1.849 6.991 -2.317 198 HG11 VAL 24 HG11 VAL 24 0.256 5.656 -4.470 199 HG12 VAL 24 HG12 VAL 24 -0.344 5.883 -2.820 200 HG13 VAL 24 HG13 VAL 24 0.051 7.282 -3.820 201 HG21 VAL 24 HG21 VAL 24 1.947 4.122 -3.210 202 HG22 VAL 24 HG22 VAL 24 3.050 4.896 -2.070 203 HG23 VAL 24 HG23 VAL 24 1.346 4.705 -1.657 204 H ASP 25 H ASP 25 4.625 5.521 -5.490 205 HA ASP 25 HA ASP 25 2.913 3.801 -7.114 206 HB2 ASP 25 HB2 ASP 25 3.941 4.532 -9.205 207 HB3 ASP 25 HB3 ASP 25 3.214 5.903 -8.378 208 H GLY 26 H GLY 26 3.812 2.088 -8.325 209 HA2 GLY 26 HA3 GLY 26 6.329 1.292 -7.048 210 HA3 GLY 26 HA2 GLY 26 5.284 0.237 -7.956 211 H THR 27 H THR 27 8.072 1.135 -7.888 212 HA THR 27 HA THR 27 8.667 0.871 -10.699 213 HB THR 27 HB THR 27 9.687 3.117 -8.939 214 HG1 THR 27 HG1 THR 27 7.792 3.592 -10.129 215 HG21 THR 27 HG21 THR 27 10.753 2.252 -11.621 216 HG22 THR 27 HG22 THR 27 11.566 2.056 -10.067 217 HG23 THR 27 HG23 THR 27 11.265 3.672 -10.709 218 H ARG 28 H ARG 28 10.785 -0.415 -10.835 219 HA ARG 28 HA ARG 28 11.161 -1.415 -8.111 220 HB2 ARG 28 HB2 ARG 28 12.525 -3.221 -9.053 221 HB3 ARG 28 HB3 ARG 28 10.945 -3.153 -9.810 222 HG2 ARG 28 HG2 ARG 28 11.820 -2.338 -11.822 223 HG3 ARG 28 HG3 ARG 28 13.354 -1.894 -11.072 224 HD2 ARG 28 HD2 ARG 28 13.645 -3.897 -12.394 225 HD3 ARG 28 HD3 ARG 28 13.833 -4.279 -10.686 226 HE ARG 28 HE ARG 28 11.264 -4.767 -12.040 227 HH11 ARG 28 HH12 ARG 28 14.065 -5.975 -10.292 228 HH12 ARG 28 HH11 ARG 28 13.413 -7.584 -10.119 229 HH21 ARG 28 HH22 ARG 28 10.427 -6.877 -11.815 230 HH22 ARG 28 HH21 ARG 28 11.361 -8.095 -11.011 231 H ASP 29 H ASP 29 12.295 -0.105 -7.025 232 HA ASP 29 HA ASP 29 15.162 -0.157 -7.595 233 HB2 ASP 29 HB2 ASP 29 13.547 2.288 -6.890 234 HB3 ASP 29 HB3 ASP 29 15.225 2.158 -6.386 235 H ARG 30 H ARG 30 15.769 -1.522 -5.953 236 HA ARG 30 HA ARG 30 14.950 -0.591 -3.286 237 HB2 ARG 30 HB2 ARG 30 15.079 -2.839 -2.440 238 HB3 ARG 30 HB3 ARG 30 13.990 -2.801 -3.812 239 HG2 ARG 30 HG2 ARG 30 15.139 -4.715 -4.257 240 HG3 ARG 30 HG3 ARG 30 16.127 -3.550 -5.140 241 HD2 ARG 30 HD2 ARG 30 17.625 -3.404 -3.178 242 HD3 ARG 30 HD3 ARG 30 16.665 -4.652 -2.386 243 HE ARG 30 HE ARG 30 17.299 -6.046 -4.427 244 HH11 ARG 30 HH12 ARG 30 19.337 -3.586 -2.995 245 HH12 ARG 30 HH11 ARG 30 20.820 -4.293 -3.559 246 HH21 ARG 30 HH22 ARG 30 19.238 -6.988 -5.176 247 HH22 ARG 30 HH21 ARG 30 20.759 -6.241 -4.791 248 H SER 31 H SER 31 17.226 -0.375 -5.394 249 HA SER 31 HA SER 31 19.547 -0.890 -3.779 250 HB2 SER 31 HB2 SER 31 19.367 0.822 -6.267 251 HB3 SER 31 HB3 SER 31 20.792 0.010 -5.616 252 HG SER 31 HG SER 31 18.825 -0.949 -7.244 253 H ASP 32 H ASP 32 17.125 1.456 -3.837 254 HA ASP 32 HA ASP 32 18.891 3.359 -2.484 255 HB2 ASP 32 HB2 ASP 32 17.848 4.091 -4.734 256 HB3 ASP 32 HB3 ASP 32 16.310 4.088 -3.881 257 H GLN 33 H GLN 33 17.118 4.854 -1.228 258 HA GLN 33 HA GLN 33 15.798 2.917 0.537 259 HB2 GLN 33 HB2 GLN 33 17.303 5.422 0.933 260 HB3 GLN 33 HB3 GLN 33 16.092 4.989 2.141 261 HG2 GLN 33 HG2 GLN 33 17.281 2.780 2.347 262 HG3 GLN 33 HG3 GLN 33 18.546 3.447 1.320 263 HE21 GLN 33 HE21 GLN 33 18.204 6.135 2.515 264 HE22 GLN 33 HE22 GLN 33 18.966 6.048 4.066 265 H HIS 34 H HIS 34 14.334 3.792 -1.698 266 HA HIS 34 HA HIS 34 12.633 5.960 -0.702 267 HB2 HIS 34 HB2 HIS 34 12.942 4.730 -3.437 268 HB3 HIS 34 HB3 HIS 34 11.634 5.835 -3.047 269 HD1 HIS 34 HD1 HIS 34 14.402 6.045 -4.945 270 HD2 HIS 34 HD2 HIS 34 13.274 8.216 -1.575 271 HE1 HIS 34 HE1 HIS 34 15.648 8.222 -5.087 272 HE2 HIS 34 HE2 HIS 34 14.929 9.540 -3.069 273 H ILE 35 H ILE 35 12.592 2.526 -1.091 274 HA ILE 35 HA ILE 35 9.728 2.414 -1.616 275 HB ILE 35 HB ILE 35 10.097 0.006 -1.849 276 HG12 ILE 35 HG12 ILE 35 13.009 0.612 -1.319 277 HG13 ILE 35 HG13 ILE 35 11.923 -0.007 -0.082 278 HG21 ILE 35 HG21 ILE 35 12.178 1.631 -3.312 279 HG22 ILE 35 HG22 ILE 35 11.462 0.110 -3.843 280 HG23 ILE 35 HG23 ILE 35 10.466 1.563 -3.742 281 HD11 ILE 35 HD11 ILE 35 13.253 -1.765 -1.054 282 HD12 ILE 35 HD12 ILE 35 11.543 -1.996 -1.411 283 HD13 ILE 35 HD13 ILE 35 12.627 -1.374 -2.655 284 H GLN 36 H GLN 36 11.231 2.909 1.185 285 HA GLN 36 HA GLN 36 10.302 0.528 2.575 286 HB2 GLN 36 HB2 GLN 36 11.682 1.341 4.431 287 HB3 GLN 36 HB3 GLN 36 12.592 1.243 2.931 288 HG2 GLN 36 HG2 GLN 36 11.755 3.820 2.833 289 HG3 GLN 36 HG3 GLN 36 11.887 3.572 4.573 290 HE21 GLN 36 HE21 GLN 36 13.875 1.861 2.283 291 HE22 GLN 36 HE22 GLN 36 15.363 2.619 2.723 292 H LEU 37 H LEU 37 8.149 0.732 2.863 293 HA LEU 37 HA LEU 37 7.283 2.947 4.580 294 HB2 LEU 37 HB2 LEU 37 5.006 2.544 3.803 295 HB3 LEU 37 HB3 LEU 37 6.067 2.983 2.481 296 HG LEU 37 HG LEU 37 5.590 0.080 2.984 297 HD11 LEU 37 HD11 LEU 37 3.584 0.150 1.583 298 HD12 LEU 37 HD12 LEU 37 3.353 1.042 3.086 299 HD13 LEU 37 HD13 LEU 37 3.648 1.912 1.581 300 HD21 LEU 37 HD21 LEU 37 5.790 -0.008 0.549 301 HD22 LEU 37 HD22 LEU 37 5.927 1.750 0.495 302 HD23 LEU 37 HD23 LEU 37 7.183 0.792 1.277 303 H GLN 38 H GLN 38 6.372 2.405 6.502 304 HA GLN 38 HA GLN 38 7.059 -0.320 7.246 305 HB2 GLN 38 HB2 GLN 38 8.208 1.071 8.635 306 HB3 GLN 38 HB3 GLN 38 6.988 2.327 8.591 307 HG2 GLN 38 HG2 GLN 38 5.652 1.139 10.175 308 HG3 GLN 38 HG3 GLN 38 6.719 -0.265 10.108 309 HE21 GLN 38 HE21 GLN 38 7.276 -0.260 12.249 310 HE22 GLN 38 HE22 GLN 38 8.232 0.993 12.978 311 H LEU 39 H LEU 39 5.501 -1.703 7.120 312 HA LEU 39 HA LEU 39 2.731 -0.793 7.401 313 HB2 LEU 39 HB2 LEU 39 3.550 -1.830 5.247 314 HB3 LEU 39 HB3 LEU 39 3.754 -3.332 6.119 315 HG LEU 39 HG LEU 39 1.639 -3.022 4.683 316 HD11 LEU 39 HD11 LEU 39 1.931 -4.882 6.226 317 HD12 LEU 39 HD12 LEU 39 1.365 -3.876 7.559 318 HD13 LEU 39 HD13 LEU 39 0.266 -4.299 6.246 319 HD21 LEU 39 HD21 LEU 39 1.035 -0.802 5.450 320 HD22 LEU 39 HD22 LEU 39 -0.243 -1.956 5.832 321 HD23 LEU 39 HD23 LEU 39 0.851 -1.403 7.098 322 H SER 40 H SER 40 2.281 -0.960 9.484 323 HA SER 40 HA SER 40 2.674 -3.579 10.763 324 HB2 SER 40 HB2 SER 40 2.142 -0.907 12.087 325 HB3 SER 40 HB3 SER 40 2.532 -2.426 12.900 326 HG SER 40 HG SER 40 4.266 -1.353 10.962 327 H ALA 41 H ALA 41 0.924 -4.378 12.063 328 HA ALA 41 HA ALA 41 -1.709 -3.218 11.432 329 HB1 ALA 41 HB1 ALA 41 -2.665 -5.428 11.921 330 HB2 ALA 41 HB2 ALA 41 -1.491 -5.530 10.608 331 HB3 ALA 41 HB3 ALA 41 -1.047 -6.061 12.228 332 H GLU 42 H GLU 42 -2.126 -1.884 13.111 333 HA GLU 42 HA GLU 42 -0.783 -2.519 15.617 334 HB2 GLU 42 HB2 GLU 42 -0.609 -0.253 14.333 335 HB3 GLU 42 HB3 GLU 42 -2.134 0.088 15.137 336 HG2 GLU 42 HG2 GLU 42 -1.208 0.019 17.246 337 HG3 GLU 42 HG3 GLU 42 0.201 -0.899 16.716 338 H SER 43 H SER 43 -4.013 -1.851 14.329 339 HA SER 43 HA SER 43 -4.972 -2.696 16.970 340 HB2 SER 43 HB2 SER 43 -6.571 -1.163 14.917 341 HB3 SER 43 HB3 SER 43 -7.016 -1.526 16.587 342 HG SER 43 HG SER 43 -4.722 -0.348 16.769 343 H VAL 44 H VAL 44 -7.081 -3.913 16.793 344 HA VAL 44 HA VAL 44 -6.674 -6.209 15.254 345 HB VAL 44 HB VAL 44 -7.973 -6.256 17.293 346 HG11 VAL 44 HG11 VAL 44 -10.241 -5.298 17.413 347 HG12 VAL 44 HG12 VAL 44 -9.015 -4.054 17.169 348 HG13 VAL 44 HG13 VAL 44 -10.014 -4.584 15.816 349 HG21 VAL 44 HG21 VAL 44 -8.398 -7.990 15.659 350 HG22 VAL 44 HG22 VAL 44 -9.884 -7.588 16.518 351 HG23 VAL 44 HG23 VAL 44 -9.621 -6.989 14.879 352 H GLY 45 H GLY 45 -6.770 -6.356 13.126 353 HA2 GLY 45 HA3 GLY 45 -8.055 -6.604 11.181 354 HA3 GLY 45 HA2 GLY 45 -9.234 -5.477 11.830 355 H GLU 46 H GLU 46 -6.838 -3.634 12.519 356 HA GLU 46 HA GLU 46 -6.757 -2.589 9.799 357 HB2 GLU 46 HB2 GLU 46 -6.560 -0.361 10.645 358 HB3 GLU 46 HB3 GLU 46 -7.981 -1.157 11.267 359 HG2 GLU 46 HG2 GLU 46 -6.915 -1.500 13.400 360 HG3 GLU 46 HG3 GLU 46 -5.417 -0.806 12.776 361 H VAL 47 H VAL 47 -5.135 -1.589 8.947 362 HA VAL 47 HA VAL 47 -2.483 -2.138 10.091 363 HB VAL 47 HB VAL 47 -1.616 -2.251 7.775 364 HG11 VAL 47 HG11 VAL 47 -2.442 -4.516 7.282 365 HG12 VAL 47 HG12 VAL 47 -2.071 -4.305 8.994 366 HG13 VAL 47 HG13 VAL 47 -3.747 -4.282 8.445 367 HG21 VAL 47 HG21 VAL 47 -3.185 -2.614 5.921 368 HG22 VAL 47 HG22 VAL 47 -4.535 -2.303 7.013 369 HG23 VAL 47 HG23 VAL 47 -3.386 -1.019 6.646 370 H TYR 48 H TYR 48 -0.939 -0.580 9.837 371 HA TYR 48 HA TYR 48 -1.998 2.052 9.035 372 HB2 TYR 48 HB2 TYR 48 -1.482 1.666 11.519 373 HB3 TYR 48 HB3 TYR 48 0.208 1.566 11.048 374 HD1 TYR 48 HD1 TYR 48 1.294 3.572 9.998 375 HD2 TYR 48 HD2 TYR 48 -2.548 3.767 11.812 376 HE1 TYR 48 HE1 TYR 48 1.490 6.017 10.132 377 HE2 TYR 48 HE2 TYR 48 -2.361 6.216 11.953 378 HH TYR 48 HH TYR 48 -0.544 7.933 12.011 379 H ILE 49 H ILE 49 -1.013 2.887 7.354 380 HA ILE 49 HA ILE 49 1.471 1.639 6.434 381 HB ILE 49 HB ILE 49 -0.535 3.285 4.864 382 HG12 ILE 49 HG12 ILE 49 -0.802 1.095 3.590 383 HG13 ILE 49 HG13 ILE 49 0.053 0.322 4.916 384 HG21 ILE 49 HG21 ILE 49 1.963 1.870 3.950 385 HG22 ILE 49 HG22 ILE 49 0.791 2.666 2.900 386 HG23 ILE 49 HG23 ILE 49 1.730 3.615 4.052 387 HD11 ILE 49 HD11 ILE 49 -2.344 0.046 5.126 388 HD12 ILE 49 HD12 ILE 49 -1.705 1.015 6.454 389 HD13 ILE 49 HD13 ILE 49 -2.559 1.797 5.124 390 H LYS 50 H LYS 50 3.136 2.729 7.193 391 HA LYS 50 HA LYS 50 2.937 5.653 7.194 392 HB2 LYS 50 HB2 LYS 50 4.358 5.617 9.260 393 HB3 LYS 50 HB3 LYS 50 2.728 4.993 9.465 394 HG2 LYS 50 HG2 LYS 50 3.712 2.687 9.185 395 HG3 LYS 50 HG3 LYS 50 5.299 3.448 9.311 396 HD2 LYS 50 HD2 LYS 50 3.116 3.643 11.389 397 HD3 LYS 50 HD3 LYS 50 4.483 2.532 11.462 398 HE2 LYS 50 HE2 LYS 50 6.029 4.406 11.522 399 HE3 LYS 50 HE3 LYS 50 4.688 5.540 11.371 400 HZ1 LYS 50 HZ1 LYS 50 5.529 5.242 13.670 401 HZ2 LYS 50 HZ2 LYS 50 4.994 3.632 13.630 402 HZ3 LYS 50 HZ3 LYS 50 3.874 4.903 13.502 403 H SER 51 H SER 51 4.773 6.800 6.762 404 HA SER 51 HA SER 51 6.798 5.563 5.227 405 HB2 SER 51 HB2 SER 51 5.912 7.895 4.879 406 HB3 SER 51 HB3 SER 51 6.588 8.343 6.440 407 HG SER 51 HG SER 51 8.088 8.937 4.971 408 H THR 52 H THR 52 8.489 4.578 6.043 409 HA THR 52 HA THR 52 9.354 4.947 8.726 410 HB THR 52 HB THR 52 11.042 3.840 6.473 411 HG1 THR 52 HG1 THR 52 9.271 2.260 8.025 412 HG21 THR 52 HG21 THR 52 10.858 3.187 9.414 413 HG22 THR 52 HG22 THR 52 12.138 4.113 8.635 414 HG23 THR 52 HG23 THR 52 11.932 2.404 8.256 415 H GLU 53 H GLU 53 11.853 5.219 6.333 416 HA GLU 53 HA GLU 53 12.266 7.968 7.239 417 HB2 GLU 53 HB2 GLU 53 13.927 6.310 5.331 418 HB3 GLU 53 HB3 GLU 53 14.388 7.854 6.035 419 HG2 GLU 53 HG2 GLU 53 13.932 5.291 7.546 420 HG3 GLU 53 HG3 GLU 53 15.498 5.994 7.143 421 H THR 54 H THR 54 11.939 6.222 4.179 422 HA THR 54 HA THR 54 11.068 8.700 2.854 423 HB THR 54 HB THR 54 12.263 6.418 1.349 424 HG1 THR 54 HG1 THR 54 14.197 6.836 2.123 425 HG21 THR 54 HG21 THR 54 11.283 8.316 0.122 426 HG22 THR 54 HG22 THR 54 13.027 8.213 -0.120 427 HG23 THR 54 HG23 THR 54 12.359 9.417 0.982 428 H GLY 55 H GLY 55 9.041 6.758 4.117 429 HA2 GLY 55 HA3 GLY 55 8.872 4.803 1.959 430 HA3 GLY 55 HA2 GLY 55 8.211 4.618 3.562 431 H GLN 56 H GLN 56 6.445 6.976 3.541 432 HA GLN 56 HA GLN 56 5.661 8.154 1.361 433 HB2 GLN 56 HB2 GLN 56 3.952 7.038 0.119 434 HB3 GLN 56 HB3 GLN 56 5.378 6.016 0.178 435 HG2 GLN 56 HG2 GLN 56 3.695 4.506 0.525 436 HG3 GLN 56 HG3 GLN 56 4.156 4.906 2.186 437 HE21 GLN 56 HE21 GLN 56 2.486 6.980 -0.010 438 HE22 GLN 56 HE22 GLN 56 1.022 7.082 0.890 439 H TYR 57 H TYR 57 3.609 9.267 1.327 440 HA TYR 57 HA TYR 57 2.332 9.295 3.967 441 HB2 TYR 57 HB2 TYR 57 3.142 11.447 3.696 442 HB3 TYR 57 HB3 TYR 57 2.868 11.465 1.974 443 HD1 TYR 57 HD1 TYR 57 0.923 11.393 5.178 444 HD2 TYR 57 HD2 TYR 57 1.154 12.777 1.161 445 HE1 TYR 57 HE1 TYR 57 -1.119 12.722 5.516 446 HE2 TYR 57 HE2 TYR 57 -0.884 14.103 1.490 447 HH TYR 57 HH TYR 57 -2.177 14.798 4.480 448 H LEU 58 H LEU 58 0.986 7.495 3.408 449 HA LEU 58 HA LEU 58 -0.568 7.768 1.038 450 HB2 LEU 58 HB2 LEU 58 -0.096 5.632 2.784 451 HB3 LEU 58 HB3 LEU 58 -1.836 5.896 2.788 452 HG LEU 58 HG LEU 58 -0.245 5.709 0.241 453 HD11 LEU 58 HD11 LEU 58 0.063 3.618 1.473 454 HD12 LEU 58 HD12 LEU 58 -1.680 3.479 1.700 455 HD13 LEU 58 HD13 LEU 58 -0.990 3.369 0.081 456 HD21 LEU 58 HD21 LEU 58 -2.430 6.753 0.060 457 HD22 LEU 58 HD22 LEU 58 -2.435 5.176 -0.729 458 HD23 LEU 58 HD23 LEU 58 -3.183 5.369 0.856 459 H ALA 59 H ALA 59 -2.205 8.645 0.647 460 HA ALA 59 HA ALA 59 -4.010 9.633 2.711 461 HB1 ALA 59 HB1 ALA 59 -2.418 11.430 2.117 462 HB2 ALA 59 HB2 ALA 59 -2.846 11.239 0.419 463 HB3 ALA 59 HB3 ALA 59 -4.055 11.813 1.572 464 H MET 60 H MET 60 -5.727 8.404 2.200 465 HA MET 60 HA MET 60 -6.254 7.708 -0.547 466 HB2 MET 60 HB2 MET 60 -6.773 6.500 1.820 467 HB3 MET 60 HB3 MET 60 -8.317 7.295 1.560 468 HG2 MET 60 HG2 MET 60 -8.391 5.046 0.723 469 HG3 MET 60 HG3 MET 60 -8.499 6.187 -0.619 470 HE1 MET 60 HE1 MET 60 -6.476 2.948 -1.832 471 HE2 MET 60 HE2 MET 60 -7.654 2.958 -0.520 472 HE3 MET 60 HE3 MET 60 -7.988 3.837 -2.012 473 H ASP 61 H ASP 61 -7.342 8.941 -1.911 474 HA ASP 61 HA ASP 61 -8.833 11.213 -0.837 475 HB2 ASP 61 HB2 ASP 61 -7.198 11.840 -2.436 476 HB3 ASP 61 HB3 ASP 61 -7.732 10.619 -3.583 477 H THR 62 H THR 62 -10.676 10.473 -0.277 478 HA THR 62 HA THR 62 -12.647 9.528 -0.139 479 HB THR 62 HB THR 62 -14.131 9.678 -2.011 480 HG1 THR 62 HG1 THR 62 -12.532 10.952 -3.781 481 HG21 THR 62 HG21 THR 62 -12.373 12.090 -1.723 482 HG22 THR 62 HG22 THR 62 -13.735 11.660 -0.689 483 HG23 THR 62 HG23 THR 62 -14.011 12.096 -2.375 484 H ASP 63 H ASP 63 -10.245 8.011 -1.787 485 HA ASP 63 HA ASP 63 -9.682 5.797 -1.635 486 HB2 ASP 63 HB2 ASP 63 -11.537 5.380 -0.035 487 HB3 ASP 63 HB3 ASP 63 -12.634 5.184 -1.395 488 H GLY 64 H GLY 64 -10.881 7.630 -3.742 489 HA2 GLY 64 HA3 GLY 64 -11.409 5.702 -5.882 490 HA3 GLY 64 HA2 GLY 64 -11.545 7.453 -6.001 491 H LEU 65 H LEU 65 -8.951 7.863 -4.744 492 HA LEU 65 HA LEU 65 -7.040 6.556 -6.520 493 HB2 LEU 65 HB2 LEU 65 -7.122 9.572 -6.374 494 HB3 LEU 65 HB3 LEU 65 -5.984 8.584 -7.276 495 HG LEU 65 HG LEU 65 -8.936 8.652 -7.878 496 HD11 LEU 65 HD11 LEU 65 -8.374 10.158 -9.723 497 HD12 LEU 65 HD12 LEU 65 -8.008 10.887 -8.158 498 HD13 LEU 65 HD13 LEU 65 -6.706 10.232 -9.152 499 HD21 LEU 65 HD21 LEU 65 -7.780 6.677 -8.704 500 HD22 LEU 65 HD22 LEU 65 -8.220 7.740 -10.042 501 HD23 LEU 65 HD23 LEU 65 -6.554 7.696 -9.463 502 H LEU 66 H LEU 66 -5.160 6.171 -5.549 503 HA LEU 66 HA LEU 66 -4.802 7.119 -2.800 504 HB2 LEU 66 HB2 LEU 66 -3.152 5.150 -4.391 505 HB3 LEU 66 HB3 LEU 66 -3.074 5.412 -2.668 506 HG LEU 66 HG LEU 66 -5.218 4.345 -2.358 507 HD11 LEU 66 HD11 LEU 66 -6.363 5.035 -4.400 508 HD12 LEU 66 HD12 LEU 66 -5.314 3.972 -5.340 509 HD13 LEU 66 HD13 LEU 66 -6.440 3.288 -4.167 510 HD21 LEU 66 HD21 LEU 66 -4.620 2.110 -2.979 511 HD22 LEU 66 HD22 LEU 66 -3.540 2.714 -4.246 512 HD23 LEU 66 HD23 LEU 66 -3.152 2.987 -2.540 513 H TYR 67 H TYR 67 -3.530 9.051 -2.516 514 HA TYR 67 HA TYR 67 -1.000 8.835 -4.048 515 HB2 TYR 67 HB2 TYR 67 -0.816 11.159 -4.431 516 HB3 TYR 67 HB3 TYR 67 -2.471 10.752 -4.859 517 HD1 TYR 67 HD1 TYR 67 -4.302 11.274 -3.195 518 HD2 TYR 67 HD2 TYR 67 -0.360 12.832 -2.820 519 HE1 TYR 67 HE1 TYR 67 -5.142 13.011 -1.678 520 HE2 TYR 67 HE2 TYR 67 -1.192 14.579 -1.297 521 HH TYR 67 HH TYR 67 -3.423 15.748 -0.862 522 H GLY 68 H GLY 68 0.921 9.366 -2.924 523 HA2 GLY 68 HA3 GLY 68 0.768 10.237 -0.207 524 HA3 GLY 68 HA2 GLY 68 0.987 8.504 -0.324 525 H SER 69 H SER 69 2.691 11.079 0.434 526 HA SER 69 HA SER 69 5.052 9.635 -0.508 527 HB2 SER 69 HB2 SER 69 4.814 12.597 -0.890 528 HB3 SER 69 HB3 SER 69 6.213 11.605 -1.313 529 HG SER 69 HG SER 69 4.396 10.380 -2.548 530 H GLN 70 H GLN 70 4.296 12.451 1.625 531 HA GLN 70 HA GLN 70 7.057 12.278 2.536 532 HB2 GLN 70 HB2 GLN 70 6.118 14.444 1.986 533 HB3 GLN 70 HB3 GLN 70 4.922 14.266 3.262 534 HG2 GLN 70 HG2 GLN 70 6.683 15.723 3.997 535 HG3 GLN 70 HG3 GLN 70 6.732 14.226 4.926 536 HE21 GLN 70 HE21 GLN 70 8.453 12.795 4.627 537 HE22 GLN 70 HE22 GLN 70 9.917 13.277 3.833 538 H THR 71 H THR 71 3.929 11.828 4.096 539 HA THR 71 HA THR 71 5.293 11.328 6.671 540 HB THR 71 HB THR 71 3.203 12.512 7.647 541 HG1 THR 71 HG1 THR 71 2.859 14.352 5.907 542 HG21 THR 71 HG21 THR 71 5.486 13.361 7.868 543 HG22 THR 71 HG22 THR 71 4.346 14.678 7.586 544 HG23 THR 71 HG23 THR 71 5.369 14.099 6.270 545 HA PRO 72 HA PRO 72 1.499 8.741 6.825 546 HB2 PRO 72 HB2 PRO 72 1.707 7.582 9.198 547 HB3 PRO 72 HB3 PRO 72 2.914 7.280 7.936 548 HG2 PRO 72 HG2 PRO 72 3.206 8.803 10.446 549 HG3 PRO 72 HG3 PRO 72 4.465 8.141 9.390 550 HD2 PRO 72 HD2 PRO 72 3.352 10.864 9.461 551 HD3 PRO 72 HD3 PRO 72 4.820 10.276 8.645 552 H ASN 73 H ASN 73 -0.329 10.171 6.934 553 HA ASN 73 HA ASN 73 -1.146 11.144 9.588 554 HB2 ASN 73 HB2 ASN 73 -2.821 12.448 8.455 555 HB3 ASN 73 HB3 ASN 73 -1.320 12.675 7.568 556 HD21 ASN 73 HD21 ASN 73 -3.967 13.117 6.640 557 HD22 ASN 73 HD22 ASN 73 -4.216 12.057 5.294 558 H GLU 74 H GLU 74 -3.826 10.561 9.885 559 HA GLU 74 HA GLU 74 -3.906 7.975 8.491 560 HB2 GLU 74 HB2 GLU 74 -5.982 8.962 10.447 561 HB3 GLU 74 HB3 GLU 74 -5.751 7.322 9.863 562 HG2 GLU 74 HG2 GLU 74 -4.812 7.097 11.902 563 HG3 GLU 74 HG3 GLU 74 -3.388 7.658 11.025 564 H GLU 75 H GLU 75 -4.125 8.883 6.595 565 HA GLU 75 HA GLU 75 -6.978 8.690 5.938 566 HB2 GLU 75 HB2 GLU 75 -4.654 9.847 4.407 567 HB3 GLU 75 HB3 GLU 75 -6.187 9.443 3.638 568 HG2 GLU 75 HG2 GLU 75 -5.921 11.377 5.920 569 HG3 GLU 75 HG3 GLU 75 -5.894 11.857 4.222 570 H CYS 76 H CYS 76 -3.757 7.589 6.037 571 HA CYS 76 HA CYS 76 -3.815 5.719 3.916 572 HB2 CYS 76 HB2 CYS 76 -1.730 4.887 4.936 573 HB3 CYS 76 HB3 CYS 76 -1.742 6.644 4.821 574 HG CYS 76 HG CYS 76 -1.742 7.194 7.395 575 H LEU 77 H LEU 77 -5.563 5.591 6.734 576 HA LEU 77 HA LEU 77 -4.805 3.057 7.763 577 HB2 LEU 77 HB2 LEU 77 -7.091 4.918 8.268 578 HB3 LEU 77 HB3 LEU 77 -7.143 3.284 8.901 579 HG LEU 77 HG LEU 77 -5.045 5.363 9.532 580 HD11 LEU 77 HD11 LEU 77 -6.012 5.271 11.782 581 HD12 LEU 77 HD12 LEU 77 -7.191 5.813 10.587 582 HD13 LEU 77 HD13 LEU 77 -7.251 4.159 11.199 583 HD21 LEU 77 HD21 LEU 77 -4.104 3.105 9.491 584 HD22 LEU 77 HD22 LEU 77 -4.204 3.725 11.139 585 HD23 LEU 77 HD23 LEU 77 -5.386 2.549 10.567 586 H PHE 78 H PHE 78 -5.261 1.166 6.967 587 HA PHE 78 HA PHE 78 -7.674 0.899 5.366 588 HB2 PHE 78 HB2 PHE 78 -5.004 -0.463 4.931 589 HB3 PHE 78 HB3 PHE 78 -6.452 -0.748 3.994 590 HD1 PHE 78 HD2 PHE 78 -7.303 2.212 3.846 591 HD2 PHE 78 HD1 PHE 78 -3.614 0.210 3.150 592 HE1 PHE 78 HE2 PHE 78 -6.626 4.005 2.304 593 HE2 PHE 78 HE1 PHE 78 -2.931 1.998 1.607 594 HZ PHE 78 HZ PHE 78 -4.436 3.899 1.183 595 H LEU 79 H LEU 79 -8.517 -1.383 5.360 596 HA LEU 79 HA LEU 79 -7.894 -2.687 7.923 597 HB2 LEU 79 HB2 LEU 79 -10.252 -1.916 7.525 598 HB3 LEU 79 HB3 LEU 79 -10.351 -3.061 6.206 599 HG LEU 79 HG LEU 79 -9.707 -4.008 8.985 600 HD11 LEU 79 HD11 LEU 79 -11.722 -2.661 9.186 601 HD12 LEU 79 HD12 LEU 79 -12.449 -3.522 7.830 602 HD13 LEU 79 HD13 LEU 79 -12.104 -4.375 9.334 603 HD21 LEU 79 HD21 LEU 79 -9.431 -5.589 7.138 604 HD22 LEU 79 HD22 LEU 79 -10.773 -6.059 8.182 605 HD23 LEU 79 HD23 LEU 79 -11.092 -5.289 6.627 606 H GLU 80 H GLU 80 -7.249 -4.769 7.965 607 HA GLU 80 HA GLU 80 -6.099 -5.678 5.421 608 HB2 GLU 80 HB2 GLU 80 -4.676 -5.354 7.506 609 HB3 GLU 80 HB3 GLU 80 -5.526 -6.728 8.194 610 HG2 GLU 80 HG2 GLU 80 -4.794 -8.004 6.096 611 HG3 GLU 80 HG3 GLU 80 -3.650 -6.686 5.863 612 H ARG 81 H ARG 81 -7.283 -7.133 4.328 613 HA ARG 81 HA ARG 81 -8.092 -9.524 5.822 614 HB2 ARG 81 HB2 ARG 81 -10.099 -8.119 5.153 615 HB3 ARG 81 HB3 ARG 81 -9.639 -8.388 3.477 616 HG2 ARG 81 HG2 ARG 81 -9.930 -10.791 3.774 617 HG3 ARG 81 HG3 ARG 81 -10.378 -10.530 5.462 618 HD2 ARG 81 HD2 ARG 81 -12.247 -9.069 4.626 619 HD3 ARG 81 HD3 ARG 81 -11.860 -9.628 2.999 620 HE ARG 81 HE ARG 81 -12.222 -11.851 4.700 621 HH11 ARG 81 HH12 ARG 81 -14.061 -9.322 3.111 622 HH12 ARG 81 HH11 ARG 81 -15.535 -10.239 3.084 623 HH21 ARG 81 HH22 ARG 81 -14.164 -13.048 4.661 624 HH22 ARG 81 HH21 ARG 81 -15.590 -12.354 3.958 625 H LEU 82 H LEU 82 -6.458 -10.857 5.142 626 HA LEU 82 HA LEU 82 -5.556 -10.602 2.385 627 HB2 LEU 82 HB2 LEU 82 -3.684 -12.041 3.062 628 HB3 LEU 82 HB3 LEU 82 -3.821 -10.616 4.068 629 HG LEU 82 HG LEU 82 -5.261 -12.625 5.409 630 HD11 LEU 82 HD11 LEU 82 -3.601 -14.398 5.659 631 HD12 LEU 82 HD12 LEU 82 -4.172 -14.289 3.995 632 HD13 LEU 82 HD13 LEU 82 -2.593 -13.634 4.431 633 HD21 LEU 82 HD21 LEU 82 -4.007 -10.827 6.454 634 HD22 LEU 82 HD22 LEU 82 -3.464 -12.390 7.064 635 HD23 LEU 82 HD23 LEU 82 -2.493 -11.523 5.873 636 H GLU 83 H GLU 83 -6.787 -11.724 0.956 637 HA GLU 83 HA GLU 83 -7.283 -14.499 1.748 638 HB2 GLU 83 HB2 GLU 83 -9.364 -14.504 0.379 639 HB3 GLU 83 HB3 GLU 83 -9.441 -13.506 1.820 640 HG2 GLU 83 HG2 GLU 83 -9.130 -11.508 0.467 641 HG3 GLU 83 HG3 GLU 83 -9.003 -12.504 -0.984 642 H GLU 84 H GLU 84 -5.427 -15.129 0.719 643 HA GLU 84 HA GLU 84 -6.412 -16.321 -1.714 644 HB2 GLU 84 HB2 GLU 84 -3.690 -15.035 -1.503 645 HB3 GLU 84 HB3 GLU 84 -3.956 -16.422 -2.549 646 HG2 GLU 84 HG2 GLU 84 -5.453 -13.818 -2.735 647 HG3 GLU 84 HG3 GLU 84 -4.064 -14.263 -3.727 648 H ASN 85 H ASN 85 -6.256 -16.763 1.136 649 HA ASN 85 HA ASN 85 -5.213 -17.780 2.851 650 HB2 ASN 85 HB2 ASN 85 -4.902 -19.897 0.726 651 HB3 ASN 85 HB3 ASN 85 -4.523 -20.172 2.424 652 HD21 ASN 85 HD21 ASN 85 -7.013 -19.809 0.075 653 HD22 ASN 85 HD22 ASN 85 -8.346 -20.178 1.118 654 H HIS 86 H HIS 86 -3.629 -16.163 0.999 655 HA HIS 86 HA HIS 86 -1.178 -16.378 2.371 656 HB2 HIS 86 HB2 HIS 86 -0.835 -18.147 0.690 657 HB3 HIS 86 HB3 HIS 86 -1.120 -16.976 -0.589 658 HD1 HIS 86 HD1 HIS 86 1.261 -17.549 -1.518 659 HD2 HIS 86 HD2 HIS 86 1.243 -15.838 2.274 660 HE1 HIS 86 HE1 HIS 86 3.631 -16.826 -1.089 661 HE2 HIS 86 HE2 HIS 86 3.637 -16.001 1.287 662 H TYR 87 H TYR 87 -3.017 -14.857 -0.236 663 HA TYR 87 HA TYR 87 -1.145 -12.607 -0.250 664 HB2 TYR 87 HB2 TYR 87 -3.407 -13.308 -2.121 665 HB3 TYR 87 HB3 TYR 87 -2.440 -11.846 -2.252 666 HD1 TYR 87 HD2 TYR 87 -1.813 -15.533 -1.910 667 HD2 TYR 87 HD1 TYR 87 -0.810 -11.892 -3.865 668 HE1 TYR 87 HE2 TYR 87 -0.206 -16.741 -3.323 669 HE2 TYR 87 HE1 TYR 87 0.797 -13.091 -5.284 670 HH TYR 87 HH TYR 87 0.951 -16.545 -5.380 671 H ASN 88 H ASN 88 -1.845 -10.441 -0.110 672 HA ASN 88 HA ASN 88 -3.838 -10.188 2.018 673 HB2 ASN 88 HB2 ASN 88 -1.648 -8.333 1.057 674 HB3 ASN 88 HB3 ASN 88 -2.736 -7.995 2.391 675 HD21 ASN 88 HD21 ASN 88 -0.058 -9.899 1.293 676 HD22 ASN 88 HD22 ASN 88 0.442 -10.468 2.851 677 H THR 89 H THR 89 -5.556 -8.888 1.905 678 HA THR 89 HA THR 89 -5.852 -7.208 -0.481 679 HB THR 89 HB THR 89 -8.148 -8.542 0.958 680 HG1 THR 89 HG1 THR 89 -6.490 -9.486 -1.137 681 HG21 THR 89 HG21 THR 89 -7.883 -7.315 -1.799 682 HG22 THR 89 HG22 THR 89 -8.704 -6.585 -0.417 683 HG23 THR 89 HG23 THR 89 -9.346 -8.059 -1.146 684 H TYR 90 H TYR 90 -7.151 -5.246 -0.001 685 HA TYR 90 HA TYR 90 -7.307 -4.643 2.848 686 HB2 TYR 90 HB2 TYR 90 -5.665 -3.077 0.857 687 HB3 TYR 90 HB3 TYR 90 -6.175 -2.416 2.409 688 HD1 TYR 90 HD1 TYR 90 -5.286 -3.377 4.515 689 HD2 TYR 90 HD2 TYR 90 -3.894 -4.674 0.714 690 HE1 TYR 90 HE1 TYR 90 -3.307 -4.374 5.585 691 HE2 TYR 90 HE2 TYR 90 -1.917 -5.672 1.773 692 HH TYR 90 HH TYR 90 -0.621 -5.541 3.738 693 H ILE 91 H ILE 91 -9.050 -3.515 3.378 694 HA ILE 91 HA ILE 91 -10.573 -2.270 1.201 695 HB ILE 91 HB ILE 91 -11.691 -4.050 2.550 696 HG12 ILE 91 HG12 ILE 91 -12.828 -1.259 2.815 697 HG13 ILE 91 HG13 ILE 91 -13.051 -2.351 1.452 698 HG21 ILE 91 HG21 ILE 91 -10.625 -3.681 4.675 699 HG22 ILE 91 HG22 ILE 91 -11.387 -2.096 4.809 700 HG23 ILE 91 HG23 ILE 91 -12.377 -3.555 4.847 701 HD11 ILE 91 HD11 ILE 91 -14.074 -2.774 4.248 702 HD12 ILE 91 HD12 ILE 91 -15.025 -2.281 2.846 703 HD13 ILE 91 HD13 ILE 91 -14.291 -3.884 2.893 704 H SER 92 H SER 92 -11.377 -0.110 1.625 705 HA SER 92 HA SER 92 -9.451 1.329 3.254 706 HB2 SER 92 HB2 SER 92 -10.380 3.347 2.230 707 HB3 SER 92 HB3 SER 92 -10.014 2.168 0.971 708 HG SER 92 HG SER 92 -12.018 2.340 0.399 709 H LYS 93 H LYS 93 -9.933 1.525 5.347 710 HA LYS 93 HA LYS 93 -12.677 1.337 6.101 711 HB2 LYS 93 HB2 LYS 93 -11.833 1.734 8.446 712 HB3 LYS 93 HB3 LYS 93 -11.278 0.283 7.618 713 HG2 LYS 93 HG2 LYS 93 -9.114 1.028 7.460 714 HG3 LYS 93 HG3 LYS 93 -9.571 2.738 7.637 715 HD2 LYS 93 HD2 LYS 93 -8.492 1.844 9.669 716 HD3 LYS 93 HD3 LYS 93 -10.156 2.348 9.974 717 HE2 LYS 93 HE2 LYS 93 -10.756 -0.117 9.505 718 HE3 LYS 93 HE3 LYS 93 -9.037 -0.427 9.744 719 HZ1 LYS 93 HZ1 LYS 93 -10.224 -0.770 11.790 720 HZ2 LYS 93 HZ2 LYS 93 -10.899 0.783 11.718 721 HZ3 LYS 93 HZ3 LYS 93 -9.230 0.595 11.962 722 H LYS 94 H LYS 94 -10.965 3.686 4.740 723 HA LYS 94 HA LYS 94 -12.084 6.048 5.768 724 HB2 LYS 94 HB2 LYS 94 -10.345 5.928 3.939 725 HB3 LYS 94 HB3 LYS 94 -11.584 5.334 2.849 726 HG2 LYS 94 HG2 LYS 94 -11.360 7.602 2.341 727 HG3 LYS 94 HG3 LYS 94 -12.831 7.487 3.318 728 HD2 LYS 94 HD2 LYS 94 -11.586 8.182 5.305 729 HD3 LYS 94 HD3 LYS 94 -10.108 8.286 4.348 730 HE2 LYS 94 HE2 LYS 94 -11.150 10.018 2.953 731 HE3 LYS 94 HE3 LYS 94 -12.607 9.926 3.942 732 HZ1 LYS 94 HZ1 LYS 94 -11.251 10.599 5.863 733 HZ2 LYS 94 HZ2 LYS 94 -11.262 11.769 4.641 734 HZ3 LYS 94 HZ3 LYS 94 -9.905 10.778 4.847 735 H HIS 95 H HIS 95 -13.169 4.417 2.798 736 HA HIS 95 HA HIS 95 -15.912 4.737 3.669 737 HB2 HIS 95 HB2 HIS 95 -14.699 3.958 1.036 738 HB3 HIS 95 HB3 HIS 95 -16.419 3.737 1.353 739 HD1 HIS 95 HD1 HIS 95 -13.917 6.264 0.465 740 HD2 HIS 95 HD2 HIS 95 -17.848 6.177 1.787 741 HE1 HIS 95 HE1 HIS 95 -14.763 8.599 0.202 742 HE2 HIS 95 HE2 HIS 95 -17.098 8.568 1.159 743 H ALA 96 H ALA 96 -14.566 2.956 5.269 744 HA ALA 96 HA ALA 96 -14.777 0.259 4.568 745 HB1 ALA 96 HB1 ALA 96 -14.926 -0.219 6.966 746 HB2 ALA 96 HB2 ALA 96 -13.688 0.989 6.626 747 HB3 ALA 96 HB3 ALA 96 -15.246 1.485 7.286 748 H GLU 97 H GLU 97 -17.143 2.479 5.842 749 HA GLU 97 HA GLU 97 -19.205 0.727 6.455 750 HB2 GLU 97 HB2 GLU 97 -18.955 3.224 6.973 751 HB3 GLU 97 HB3 GLU 97 -19.615 3.507 5.368 752 HG2 GLU 97 HG2 GLU 97 -21.342 3.681 7.044 753 HG3 GLU 97 HG3 GLU 97 -21.644 2.296 5.992 754 H LYS 98 H LYS 98 -18.221 2.075 3.357 755 HA LYS 98 HA LYS 98 -20.631 0.999 2.095 756 HB2 LYS 98 HB2 LYS 98 -18.450 2.777 1.001 757 HB3 LYS 98 HB3 LYS 98 -19.829 2.207 0.070 758 HG2 LYS 98 HG2 LYS 98 -19.873 4.021 2.468 759 HG3 LYS 98 HG3 LYS 98 -20.294 4.426 0.801 760 HD2 LYS 98 HD2 LYS 98 -22.154 2.815 0.909 761 HD3 LYS 98 HD3 LYS 98 -21.745 2.481 2.591 762 HE2 LYS 98 HE2 LYS 98 -22.161 4.849 3.130 763 HE3 LYS 98 HE3 LYS 98 -22.641 5.125 1.454 764 HZ1 LYS 98 HZ1 LYS 98 -24.302 3.238 1.895 765 HZ2 LYS 98 HZ2 LYS 98 -24.638 4.771 2.531 766 HZ3 LYS 98 HZ3 LYS 98 -24.019 3.555 3.537 767 H ASN 99 H ASN 99 -17.560 -0.064 2.794 768 HA ASN 99 HA ASN 99 -16.605 -2.076 2.339 769 HB2 ASN 99 HB2 ASN 99 -18.947 -2.920 1.933 770 HB3 ASN 99 HB3 ASN 99 -18.730 -2.540 0.230 771 HD21 ASN 99 HD21 ASN 99 -16.326 -3.887 2.430 772 HD22 ASN 99 HD22 ASN 99 -16.147 -5.397 1.603 773 H TRP 100 H TRP 100 -16.112 0.524 0.814 774 HA TRP 100 HA TRP 100 -15.452 -0.349 -1.835 775 HB2 TRP 100 HB2 TRP 100 -16.190 2.016 -0.977 776 HB3 TRP 100 HB3 TRP 100 -14.475 2.218 -0.654 777 HD1 TRP 100 HD1 TRP 100 -15.369 0.182 -3.711 778 HE1 TRP 100 HE1 TRP 100 -14.844 1.536 -5.838 779 HE3 TRP 100 HE3 TRP 100 -14.411 4.712 -1.571 780 HZ2 TRP 100 HZ2 TRP 100 -14.129 4.184 -6.513 781 HZ3 TRP 100 HZ3 TRP 100 -13.780 6.600 -3.035 782 HH2 TRP 100 HH2 TRP 100 -13.648 6.345 -5.427 783 H PHE 101 H PHE 101 -13.239 -0.320 -2.695 784 HA PHE 101 HA PHE 101 -11.669 -1.794 -0.696 785 HB2 PHE 101 HB2 PHE 101 -11.694 -2.082 -3.707 786 HB3 PHE 101 HB3 PHE 101 -10.729 -3.044 -2.598 787 HD1 PHE 101 HD1 PHE 101 -14.152 -2.329 -3.747 788 HD2 PHE 101 HD2 PHE 101 -11.657 -4.906 -1.457 789 HE1 PHE 101 HE1 PHE 101 -15.973 -3.976 -3.628 790 HE2 PHE 101 HE2 PHE 101 -13.478 -6.558 -1.331 791 HZ PHE 101 HZ PHE 101 -15.637 -6.096 -2.426 792 H VAL 102 H VAL 102 -9.451 -1.538 -0.544 793 HA VAL 102 HA VAL 102 -8.328 0.859 -1.750 794 HB VAL 102 HB VAL 102 -7.105 -1.202 0.103 795 HG11 VAL 102 HG11 VAL 102 -5.933 1.381 -0.926 796 HG12 VAL 102 HG12 VAL 102 -5.227 0.370 0.334 797 HG13 VAL 102 HG13 VAL 102 -5.378 -0.248 -1.311 798 HG21 VAL 102 HG21 VAL 102 -7.184 0.600 1.759 799 HG22 VAL 102 HG22 VAL 102 -8.009 1.626 0.584 800 HG23 VAL 102 HG23 VAL 102 -8.789 0.159 1.175 801 H GLY 103 H GLY 103 -7.549 0.731 -3.740 802 HA2 GLY 103 HA3 GLY 103 -6.082 -1.709 -4.456 803 HA3 GLY 103 HA2 GLY 103 -7.270 -1.059 -5.557 804 H LEU 104 H LEU 104 -4.395 -1.493 -5.676 805 HA LEU 104 HA LEU 104 -3.785 1.190 -6.639 806 HB2 LEU 104 HB2 LEU 104 -1.404 0.749 -5.836 807 HB3 LEU 104 HB3 LEU 104 -2.607 1.290 -4.687 808 HG LEU 104 HG LEU 104 -2.868 -1.197 -4.091 809 HD11 LEU 104 HD11 LEU 104 -0.175 -1.244 -5.447 810 HD12 LEU 104 HD12 LEU 104 -0.860 -2.537 -4.465 811 HD13 LEU 104 HD13 LEU 104 -1.621 -2.092 -5.993 812 HD21 LEU 104 HD21 LEU 104 -1.026 -0.991 -2.508 813 HD22 LEU 104 HD22 LEU 104 -0.347 0.327 -3.471 814 HD23 LEU 104 HD23 LEU 104 -1.906 0.531 -2.668 815 H LYS 105 H LYS 105 -2.282 1.258 -8.414 816 HA LYS 105 HA LYS 105 -1.463 -1.466 -9.186 817 HB2 LYS 105 HB2 LYS 105 -2.896 -0.078 -10.839 818 HB3 LYS 105 HB3 LYS 105 -1.420 0.846 -11.091 819 HG2 LYS 105 HG2 LYS 105 -0.555 -1.741 -11.341 820 HG3 LYS 105 HG3 LYS 105 -2.166 -1.791 -12.064 821 HD2 LYS 105 HD2 LYS 105 -1.527 0.216 -13.405 822 HD3 LYS 105 HD3 LYS 105 0.113 0.024 -12.775 823 HE2 LYS 105 HE2 LYS 105 0.349 -2.102 -13.824 824 HE3 LYS 105 HE3 LYS 105 -1.360 -2.146 -14.254 825 HZ1 LYS 105 HZ1 LYS 105 -1.069 -0.524 -15.884 826 HZ2 LYS 105 HZ2 LYS 105 0.286 -1.532 -16.067 827 HZ3 LYS 105 HZ3 LYS 105 0.441 -0.034 -15.281 828 H LYS 106 H LYS 106 0.314 -1.734 -8.211 829 HA LYS 106 HA LYS 106 2.214 0.361 -7.898 830 HB2 LYS 106 HB2 LYS 106 3.029 -0.863 -6.238 831 HB3 LYS 106 HB3 LYS 106 1.771 -2.056 -6.568 832 HG2 LYS 106 HG2 LYS 106 4.444 -2.094 -7.942 833 HG3 LYS 106 HG3 LYS 106 4.158 -2.887 -6.395 834 HD2 LYS 106 HD2 LYS 106 2.484 -4.320 -7.394 835 HD3 LYS 106 HD3 LYS 106 2.618 -3.460 -8.932 836 HE2 LYS 106 HE2 LYS 106 4.943 -4.168 -9.132 837 HE3 LYS 106 HE3 LYS 106 4.832 -5.007 -7.585 838 HZ1 LYS 106 HZ1 LYS 106 3.240 -5.655 -10.006 839 HZ2 LYS 106 HZ2 LYS 106 3.223 -6.511 -8.540 840 HZ3 LYS 106 HZ3 LYS 106 4.619 -6.492 -9.498 841 H ASN 107 H ASN 107 1.555 -1.959 -10.327 842 HA ASN 107 HA ASN 107 4.194 -2.006 -11.415 843 HB2 ASN 107 HB2 ASN 107 1.453 -2.493 -12.601 844 HB3 ASN 107 HB3 ASN 107 2.901 -2.543 -13.600 845 HD21 ASN 107 HD21 ASN 107 2.768 -4.664 -14.124 846 HD22 ASN 107 HD22 ASN 107 2.942 -5.948 -12.980 847 H GLY 108 H GLY 108 1.745 0.299 -11.111 848 HA2 GLY 108 HA3 GLY 108 3.240 2.137 -12.877 849 HA3 GLY 108 HA2 GLY 108 1.489 2.226 -12.714 850 H SER 109 H SER 109 0.620 2.650 -10.758 851 HA SER 109 HA SER 109 1.962 4.017 -8.669 852 HB2 SER 109 HB2 SER 109 0.557 6.167 -9.266 853 HB3 SER 109 HB3 SER 109 2.125 5.924 -10.039 854 HG SER 109 HG SER 109 1.180 5.684 -11.894 855 H CYS 110 H CYS 110 0.270 4.554 -7.000 856 HA CYS 110 HA CYS 110 -1.660 2.384 -7.269 857 HB2 CYS 110 HB2 CYS 110 -0.769 4.115 -4.981 858 HB3 CYS 110 HB3 CYS 110 -1.760 2.669 -4.813 859 HG CYS 110 HG CYS 110 1.558 2.985 -5.278 860 H LYS 111 H LYS 111 -3.561 3.095 -8.214 861 HA LYS 111 HA LYS 111 -5.088 5.092 -6.832 862 HB2 LYS 111 HB2 LYS 111 -5.748 5.629 -9.469 863 HB3 LYS 111 HB3 LYS 111 -4.860 6.678 -8.381 864 HG2 LYS 111 HG2 LYS 111 -3.694 6.492 -10.489 865 HG3 LYS 111 HG3 LYS 111 -2.745 5.741 -9.210 866 HD2 LYS 111 HD2 LYS 111 -2.827 3.699 -10.179 867 HD3 LYS 111 HD3 LYS 111 -4.531 3.886 -10.622 868 HE2 LYS 111 HE2 LYS 111 -2.907 3.724 -12.547 869 HE3 LYS 111 HE3 LYS 111 -3.997 5.107 -12.576 870 HZ1 LYS 111 HZ1 LYS 111 -1.732 5.736 -13.148 871 HZ2 LYS 111 HZ2 LYS 111 -1.167 5.168 -11.658 872 HZ3 LYS 111 HZ3 LYS 111 -2.217 6.494 -11.716 873 H ARG 112 H ARG 112 -6.796 3.500 -6.263 874 HA ARG 112 HA ARG 112 -8.179 2.721 -8.708 875 HB2 ARG 112 HB2 ARG 112 -7.592 0.686 -6.571 876 HB3 ARG 112 HB3 ARG 112 -8.600 0.424 -7.986 877 HG2 ARG 112 HG2 ARG 112 -5.801 1.364 -8.357 878 HG3 ARG 112 HG3 ARG 112 -6.087 -0.336 -7.932 879 HD2 ARG 112 HD2 ARG 112 -6.003 -0.304 -10.292 880 HD3 ARG 112 HD3 ARG 112 -7.716 -0.404 -9.894 881 HE ARG 112 HE ARG 112 -7.185 2.280 -10.164 882 HH11 ARG 112 HH12 ARG 112 -6.867 -0.534 -12.229 883 HH12 ARG 112 HH11 ARG 112 -7.099 0.359 -13.700 884 HH21 ARG 112 HH22 ARG 112 -7.486 3.459 -12.093 885 HH22 ARG 112 HH21 ARG 112 -7.419 2.633 -13.626 886 H GLY 113 H GLY 113 -9.830 4.360 -8.031 887 HA2 GLY 113 HA3 GLY 113 -11.624 3.210 -6.044 888 HA3 GLY 113 HA2 GLY 113 -11.887 4.692 -6.963 889 HA PRO 114 HA PRO 114 -14.458 2.819 -9.990 890 HB2 PRO 114 HB2 PRO 114 -12.402 2.839 -12.132 891 HB3 PRO 114 HB3 PRO 114 -14.020 3.549 -12.111 892 HG2 PRO 114 HG2 PRO 114 -11.854 5.081 -11.881 893 HG3 PRO 114 HG3 PRO 114 -13.325 5.429 -10.954 894 HD2 PRO 114 HD2 PRO 114 -10.770 4.171 -10.053 895 HD3 PRO 114 HD3 PRO 114 -11.833 5.307 -9.198 896 H ARG 115 H ARG 115 -11.301 1.312 -9.688 897 HA ARG 115 HA ARG 115 -12.349 -1.116 -10.925 898 HB2 ARG 115 HB2 ARG 115 -9.568 -0.072 -10.546 899 HB3 ARG 115 HB3 ARG 115 -9.840 -1.791 -10.773 900 HG2 ARG 115 HG2 ARG 115 -9.270 -0.763 -12.872 901 HG3 ARG 115 HG3 ARG 115 -10.940 -1.321 -12.918 902 HD2 ARG 115 HD2 ARG 115 -11.789 0.857 -12.769 903 HD3 ARG 115 HD3 ARG 115 -10.251 1.513 -12.209 904 HE ARG 115 HE ARG 115 -9.533 0.701 -14.611 905 HH11 ARG 115 HH12 ARG 115 -12.529 2.292 -13.702 906 HH12 ARG 115 HH11 ARG 115 -12.671 3.155 -15.202 907 HH21 ARG 115 HH22 ARG 115 -9.741 1.796 -16.580 908 HH22 ARG 115 HH21 ARG 115 -11.085 2.865 -16.846 909 H THR 116 H THR 116 -11.681 0.205 -7.816 910 HA THR 116 HA THR 116 -10.986 -2.289 -6.637 911 HB THR 116 HB THR 116 -11.696 -1.063 -4.488 912 HG1 THR 116 HG1 THR 116 -11.470 1.275 -4.869 913 HG21 THR 116 HG21 THR 116 -9.408 -0.139 -6.225 914 HG22 THR 116 HG22 THR 116 -9.417 -1.571 -5.195 915 HG23 THR 116 HG23 THR 116 -9.506 0.034 -4.472 916 H HIS 117 H HIS 117 -12.119 -3.852 -6.633 917 HA HIS 117 HA HIS 117 -14.478 -4.675 -5.691 918 HB2 HIS 117 HB2 HIS 117 -15.583 -2.827 -7.042 919 HB3 HIS 117 HB3 HIS 117 -14.872 -3.514 -8.495 920 HD1 HIS 117 HD1 HIS 117 -17.494 -4.268 -5.869 921 HD2 HIS 117 HD2 HIS 117 -16.308 -5.543 -9.649 922 HE1 HIS 117 HE1 HIS 117 -19.284 -5.855 -6.649 923 HE2 HIS 117 HE2 HIS 117 -18.643 -6.449 -9.016 924 H TYR 118 H TYR 118 -15.021 -6.806 -7.407 925 HA TYR 118 HA TYR 118 -12.327 -7.417 -8.293 926 HB2 TYR 118 HB2 TYR 118 -13.928 -9.191 -7.379 927 HB3 TYR 118 HB3 TYR 118 -14.797 -9.059 -8.906 928 HD1 TYR 118 HD2 TYR 118 -11.131 -9.125 -8.139 929 HD2 TYR 118 HD1 TYR 118 -14.405 -10.988 -10.119 930 HE1 TYR 118 HE2 TYR 118 -9.588 -10.743 -9.166 931 HE2 TYR 118 HE1 TYR 118 -12.870 -12.606 -11.148 932 HH TYR 118 HH TYR 118 -9.654 -13.011 -10.130 933 H GLY 119 H GLY 119 -12.253 -5.570 -9.494 934 HA2 GLY 119 HA3 GLY 119 -13.203 -5.868 -12.246 935 HA3 GLY 119 HA2 GLY 119 -12.521 -4.390 -11.541 936 H GLN 120 H GLN 120 -10.478 -5.457 -10.136 937 HA GLN 120 HA GLN 120 -8.660 -6.628 -12.103 938 HB2 GLN 120 HB2 GLN 120 -8.410 -3.888 -10.865 939 HB3 GLN 120 HB3 GLN 120 -6.981 -4.790 -11.386 940 HG2 GLN 120 HG2 GLN 120 -8.086 -4.958 -13.655 941 HG3 GLN 120 HG3 GLN 120 -9.270 -3.794 -13.062 942 HE21 GLN 120 HE21 GLN 120 -5.881 -3.772 -12.190 943 HE22 GLN 120 HE22 GLN 120 -5.476 -2.320 -13.034 944 H LYS 121 H LYS 121 -7.050 -7.830 -11.197 945 HA LYS 121 HA LYS 121 -7.089 -8.110 -8.298 946 HB2 LYS 121 HB2 LYS 121 -7.038 -10.101 -9.885 947 HB3 LYS 121 HB3 LYS 121 -5.375 -9.658 -10.249 948 HG2 LYS 121 HG2 LYS 121 -5.661 -11.464 -8.535 949 HG3 LYS 121 HG3 LYS 121 -4.677 -10.091 -8.026 950 HD2 LYS 121 HD2 LYS 121 -6.070 -10.534 -6.191 951 HD3 LYS 121 HD3 LYS 121 -6.819 -9.156 -6.994 952 HE2 LYS 121 HE2 LYS 121 -8.645 -10.495 -6.610 953 HE3 LYS 121 HE3 LYS 121 -8.191 -10.999 -8.235 954 HZ1 LYS 121 HZ1 LYS 121 -7.570 -12.407 -5.692 955 HZ2 LYS 121 HZ2 LYS 121 -6.954 -12.868 -7.203 956 HZ3 LYS 121 HZ3 LYS 121 -8.625 -12.924 -6.915 957 H ALA 122 H ALA 122 -6.154 -5.712 -9.639 958 HA ALA 122 HA ALA 122 -3.417 -5.444 -8.773 959 HB1 ALA 122 HB1 ALA 122 -4.320 -3.979 -10.526 960 HB2 ALA 122 HB2 ALA 122 -5.506 -3.342 -9.387 961 HB3 ALA 122 HB3 ALA 122 -3.787 -3.041 -9.131 962 H ILE 123 H ILE 123 -6.348 -5.880 -7.371 963 HA ILE 123 HA ILE 123 -5.683 -4.619 -4.839 964 HB ILE 123 HB ILE 123 -7.972 -6.518 -5.398 965 HG12 ILE 123 HG12 ILE 123 -7.929 -3.505 -5.702 966 HG13 ILE 123 HG13 ILE 123 -8.034 -4.664 -7.023 967 HG21 ILE 123 HG21 ILE 123 -7.521 -6.071 -3.040 968 HG22 ILE 123 HG22 ILE 123 -7.601 -4.334 -3.342 969 HG23 ILE 123 HG23 ILE 123 -9.044 -5.332 -3.535 970 HD11 ILE 123 HD11 ILE 123 -10.078 -4.272 -4.851 971 HD12 ILE 123 HD12 ILE 123 -10.199 -3.699 -6.516 972 HD13 ILE 123 HD13 ILE 123 -10.188 -5.432 -6.176 973 H LEU 124 H LEU 124 -4.268 -6.952 -6.360 974 HA LEU 124 HA LEU 124 -4.235 -8.934 -4.195 975 HB2 LEU 124 HB2 LEU 124 -4.228 -9.571 -6.651 976 HB3 LEU 124 HB3 LEU 124 -2.604 -8.917 -6.733 977 HG LEU 124 HG LEU 124 -1.918 -10.572 -4.987 978 HD11 LEU 124 HD11 LEU 124 -3.382 -12.477 -4.569 979 HD12 LEU 124 HD12 LEU 124 -4.114 -10.972 -4.013 980 HD13 LEU 124 HD13 LEU 124 -4.657 -11.713 -5.519 981 HD21 LEU 124 HD21 LEU 124 -1.502 -10.959 -7.368 982 HD22 LEU 124 HD22 LEU 124 -1.842 -12.468 -6.521 983 HD23 LEU 124 HD23 LEU 124 -3.087 -11.719 -7.522 984 H PHE 125 H PHE 125 -3.098 -8.149 -2.484 985 HA PHE 125 HA PHE 125 -0.808 -6.419 -3.020 986 HB2 PHE 125 HB2 PHE 125 -2.373 -6.996 -0.497 987 HB3 PHE 125 HB3 PHE 125 -0.961 -5.959 -0.556 988 HD1 PHE 125 HD1 PHE 125 -4.287 -6.329 -2.208 989 HD2 PHE 125 HD2 PHE 125 -1.283 -3.704 -0.739 990 HE1 PHE 125 HE1 PHE 125 -5.732 -4.401 -2.698 991 HE2 PHE 125 HE2 PHE 125 -2.717 -1.774 -1.235 992 HZ PHE 125 HZ PHE 125 -4.946 -2.120 -2.215 993 H LEU 126 H LEU 126 1.276 -7.041 -2.751 994 HA LEU 126 HA LEU 126 1.721 -9.019 -0.608 995 HB2 LEU 126 HB2 LEU 126 3.164 -8.770 -3.245 996 HB3 LEU 126 HB3 LEU 126 3.823 -9.649 -1.879 997 HG LEU 126 HG LEU 126 1.221 -10.308 -3.266 998 HD11 LEU 126 HD11 LEU 126 3.130 -10.754 -4.702 999 HD12 LEU 126 HD12 LEU 126 3.917 -11.650 -3.403 1000 HD13 LEU 126 HD13 LEU 126 2.426 -12.263 -4.119 1001 HD21 LEU 126 HD21 LEU 126 1.302 -12.357 -1.935 1002 HD22 LEU 126 HD22 LEU 126 2.758 -11.781 -1.126 1003 HD23 LEU 126 HD23 LEU 126 1.230 -10.929 -0.902 1004 HA PRO 127 HA PRO 127 4.388 -5.655 0.662 1005 HB2 PRO 127 HB2 PRO 127 3.655 -5.793 3.268 1006 HB3 PRO 127 HB3 PRO 127 2.637 -5.035 2.040 1007 HG2 PRO 127 HG2 PRO 127 2.175 -7.497 3.520 1008 HG3 PRO 127 HG3 PRO 127 1.067 -6.621 2.453 1009 HD2 PRO 127 HD2 PRO 127 2.790 -8.944 1.862 1010 HD3 PRO 127 HD3 PRO 127 1.356 -8.352 0.993 1011 H LEU 128 H LEU 128 6.469 -6.414 0.578 1012 HA LEU 128 HA LEU 128 7.193 -8.564 2.434 1013 HB2 LEU 128 HB2 LEU 128 8.530 -7.607 -0.088 1014 HB3 LEU 128 HB3 LEU 128 9.314 -8.685 1.050 1015 HG LEU 128 HG LEU 128 6.870 -9.241 -0.622 1016 HD11 LEU 128 HD11 LEU 128 8.995 -9.505 -1.759 1017 HD12 LEU 128 HD12 LEU 128 9.584 -10.540 -0.456 1018 HD13 LEU 128 HD13 LEU 128 8.248 -11.077 -1.475 1019 HD21 LEU 128 HD21 LEU 128 8.054 -10.933 1.580 1020 HD22 LEU 128 HD22 LEU 128 6.479 -10.135 1.610 1021 HD23 LEU 128 HD23 LEU 128 6.787 -11.437 0.460 1022 HA PRO 129 HA PRO 129 9.143 -5.401 4.704 1023 HB2 PRO 129 HB2 PRO 129 9.953 -6.847 6.775 1024 HB3 PRO 129 HB3 PRO 129 8.231 -6.664 6.402 1025 HG2 PRO 129 HG2 PRO 129 10.044 -8.973 5.838 1026 HG3 PRO 129 HG3 PRO 129 8.376 -8.980 6.438 1027 HD2 PRO 129 HD2 PRO 129 9.128 -9.352 3.789 1028 HD3 PRO 129 HD3 PRO 129 7.511 -8.860 4.336 1029 H VAL 130 H VAL 130 11.148 -4.577 5.237 1030 HA VAL 130 HA VAL 130 13.328 -5.767 3.701 1031 HB VAL 130 HB VAL 130 13.397 -3.124 5.140 1032 HG11 VAL 130 HG11 VAL 130 15.116 -2.571 3.491 1033 HG12 VAL 130 HG12 VAL 130 15.550 -3.993 4.440 1034 HG13 VAL 130 HG13 VAL 130 14.952 -4.180 2.791 1035 HG21 VAL 130 HG21 VAL 130 11.476 -3.069 3.648 1036 HG22 VAL 130 HG22 VAL 130 12.771 -2.049 3.019 1037 HG23 VAL 130 HG23 VAL 130 12.479 -3.639 2.315 1038 H SER 131 H SER 131 15.319 -6.189 4.635 1039 HA SER 131 HA SER 131 15.032 -7.291 7.267 1040 HB2 SER 131 HB2 SER 131 17.411 -8.092 6.789 1041 HB3 SER 131 HB3 SER 131 16.155 -8.677 5.697 1042 HG SER 131 HG SER 131 18.159 -7.835 4.707 1043 H SER 132 H SER 132 15.569 -6.261 9.099 1044 HA SER 132 HA SER 132 17.488 -4.073 8.974 1045 HB2 SER 132 HB2 SER 132 15.364 -4.029 10.431 1046 HB3 SER 132 HB3 SER 132 16.177 -5.204 11.461 1047 HG SER 132 HG SER 132 17.680 -2.967 10.834 1048 H ASP 133 H ASP 133 19.103 -5.375 8.217 1049 HA ASP 133 HA ASP 133 20.352 -7.229 10.104 1050 HB2 ASP 133 HB2 ASP 133 19.205 -8.691 8.637 1051 HB3 ASP 133 HB3 ASP 133 19.581 -7.708 7.228 Start of MODEL 20 1 H1 TYR 1 H1 TYR 1 17.414 -6.777 6.920 2 H2 TYR 1 H2 TYR 1 18.424 -6.550 5.582 3 H3 TYR 1 H3 TYR 1 17.008 -5.639 5.734 4 HA TYR 1 HA TYR 1 19.352 -5.510 7.539 5 HB2 TYR 1 HB2 TYR 1 19.677 -4.534 5.249 6 HB3 TYR 1 HB3 TYR 1 18.333 -3.442 5.580 7 HD1 TYR 1 HD2 TYR 1 21.729 -4.408 6.726 8 HD2 TYR 1 HD1 TYR 1 18.681 -1.441 6.784 9 HE1 TYR 1 HE2 TYR 1 23.289 -2.838 7.796 10 HE2 TYR 1 HE1 TYR 1 20.233 0.139 7.856 11 HH TYR 1 HH TYR 1 23.591 -0.452 8.083 12 H LYS 2 H LYS 2 16.573 -3.539 6.506 13 HA LYS 2 HA LYS 2 16.107 -2.858 9.327 14 HB2 LYS 2 HB2 LYS 2 16.285 -1.253 7.009 15 HB3 LYS 2 HB3 LYS 2 14.594 -1.242 7.489 16 HG2 LYS 2 HG2 LYS 2 15.552 0.591 8.576 17 HG3 LYS 2 HG3 LYS 2 15.414 -0.655 9.820 18 HD2 LYS 2 HD2 LYS 2 17.763 -1.225 9.536 19 HD3 LYS 2 HD3 LYS 2 17.910 -0.035 8.241 20 HE2 LYS 2 HE2 LYS 2 18.782 1.013 10.157 21 HE3 LYS 2 HE3 LYS 2 17.170 1.694 9.942 22 HZ1 LYS 2 HZ1 LYS 2 17.965 -0.415 11.872 23 HZ2 LYS 2 HZ2 LYS 2 16.369 0.073 11.605 24 HZ3 LYS 2 HZ3 LYS 2 17.492 1.169 12.235 25 H LYS 3 H LYS 3 13.749 -2.387 9.824 26 HA LYS 3 HA LYS 3 12.222 -4.707 9.129 27 HB2 LYS 3 HB2 LYS 3 11.624 -2.312 10.848 28 HB3 LYS 3 HB3 LYS 3 10.447 -3.580 10.536 29 HG2 LYS 3 HG2 LYS 3 13.161 -4.074 11.742 30 HG3 LYS 3 HG3 LYS 3 11.690 -3.821 12.684 31 HD2 LYS 3 HD2 LYS 3 10.692 -5.796 11.816 32 HD3 LYS 3 HD3 LYS 3 11.950 -5.969 10.589 33 HE2 LYS 3 HE2 LYS 3 12.226 -7.543 12.467 34 HE3 LYS 3 HE3 LYS 3 13.598 -6.450 12.289 35 HZ1 LYS 3 HZ1 LYS 3 12.736 -5.113 14.094 36 HZ2 LYS 3 HZ2 LYS 3 12.932 -6.714 14.606 37 HZ3 LYS 3 HZ3 LYS 3 11.387 -6.124 14.248 38 HA PRO 4 HA PRO 4 9.618 -0.692 7.169 39 HB2 PRO 4 HB2 PRO 4 12.120 -0.511 5.511 40 HB3 PRO 4 HB3 PRO 4 10.899 0.731 5.816 41 HG2 PRO 4 HG2 PRO 4 13.257 0.557 7.190 42 HG3 PRO 4 HG3 PRO 4 11.782 1.269 7.860 43 HD2 PRO 4 HD2 PRO 4 13.143 -1.130 8.686 44 HD3 PRO 4 HD3 PRO 4 11.697 -0.392 9.398 45 H LYS 5 H LYS 5 8.198 -1.942 6.110 46 HA LYS 5 HA LYS 5 9.034 -4.159 4.490 47 HB2 LYS 5 HB2 LYS 5 6.297 -2.998 5.018 48 HB3 LYS 5 HB3 LYS 5 6.593 -4.464 4.095 49 HG2 LYS 5 HG2 LYS 5 6.017 -5.234 6.207 50 HG3 LYS 5 HG3 LYS 5 7.779 -5.320 6.198 51 HD2 LYS 5 HD2 LYS 5 7.824 -3.103 7.340 52 HD3 LYS 5 HD3 LYS 5 6.066 -3.182 7.461 53 HE2 LYS 5 HE2 LYS 5 6.206 -5.175 8.815 54 HE3 LYS 5 HE3 LYS 5 7.956 -5.236 8.600 55 HZ1 LYS 5 HZ1 LYS 5 8.168 -3.185 9.818 56 HZ2 LYS 5 HZ2 LYS 5 7.298 -4.296 10.750 57 HZ3 LYS 5 HZ3 LYS 5 6.488 -3.039 9.959 58 H LEU 6 H LEU 6 8.038 -4.478 2.330 59 HA LEU 6 HA LEU 6 8.148 -1.992 0.736 60 HB2 LEU 6 HB2 LEU 6 10.045 -3.097 0.065 61 HB3 LEU 6 HB3 LEU 6 9.387 -4.678 0.398 62 HG LEU 6 HG LEU 6 8.337 -3.139 -1.932 63 HD11 LEU 6 HD11 LEU 6 10.095 -3.907 -3.335 64 HD12 LEU 6 HD12 LEU 6 10.844 -3.055 -1.980 65 HD13 LEU 6 HD13 LEU 6 10.828 -4.822 -2.020 66 HD21 LEU 6 HD21 LEU 6 7.179 -5.154 -1.534 67 HD22 LEU 6 HD22 LEU 6 8.303 -5.514 -2.842 68 HD23 LEU 6 HD23 LEU 6 8.668 -6.036 -1.197 69 H LEU 7 H LEU 7 6.403 -1.612 -0.564 70 HA LEU 7 HA LEU 7 4.198 -3.511 -0.544 71 HB2 LEU 7 HB2 LEU 7 3.591 -1.237 -0.038 72 HB3 LEU 7 HB3 LEU 7 4.357 -0.654 -1.518 73 HG LEU 7 HG LEU 7 2.434 -2.625 -2.284 74 HD11 LEU 7 HD11 LEU 7 1.260 -0.518 -0.474 75 HD12 LEU 7 HD12 LEU 7 0.386 -1.744 -1.392 76 HD13 LEU 7 HD13 LEU 7 1.436 -2.225 -0.061 77 HD21 LEU 7 HD21 LEU 7 3.243 -0.640 -3.578 78 HD22 LEU 7 HD22 LEU 7 1.495 -0.858 -3.586 79 HD23 LEU 7 HD23 LEU 7 2.224 0.372 -2.555 80 H TYR 8 H TYR 8 4.877 -5.094 -2.124 81 HA TYR 8 HA TYR 8 4.735 -3.945 -4.846 82 HB2 TYR 8 HB2 TYR 8 6.568 -5.220 -5.162 83 HB3 TYR 8 HB3 TYR 8 6.356 -5.981 -3.597 84 HD1 TYR 8 HD1 TYR 8 4.998 -6.203 -7.070 85 HD2 TYR 8 HD2 TYR 8 6.076 -8.254 -3.515 86 HE1 TYR 8 HE1 TYR 8 4.531 -8.345 -8.182 87 HE2 TYR 8 HE2 TYR 8 5.610 -10.405 -4.607 88 HH TYR 8 HH TYR 8 5.176 -10.714 -7.950 89 H CYS 9 H CYS 9 2.418 -3.788 -5.113 90 HA CYS 9 HA CYS 9 1.135 -6.462 -5.134 91 HB2 CYS 9 HB2 CYS 9 -0.435 -3.976 -4.641 92 HB3 CYS 9 HB3 CYS 9 -0.741 -5.617 -4.091 93 HG CYS 9 HG CYS 9 0.594 -3.182 -2.440 94 H SER 10 H SER 10 1.870 -6.236 -7.433 95 HA SER 10 HA SER 10 -0.498 -5.751 -9.022 96 HB2 SER 10 HB2 SER 10 1.066 -3.739 -9.364 97 HB3 SER 10 HB3 SER 10 2.166 -4.873 -10.140 98 HG SER 10 HG SER 10 0.047 -5.410 -11.352 99 H ASN 11 H ASN 11 -0.529 -7.469 -10.886 100 HA ASN 11 HA ASN 11 1.508 -9.451 -10.168 101 HB2 ASN 11 HB2 ASN 11 -0.856 -10.134 -10.808 102 HB3 ASN 11 HB3 ASN 11 -0.483 -9.623 -12.451 103 HD21 ASN 11 HD21 ASN 11 -1.181 -12.258 -11.381 104 HD22 ASN 11 HD22 ASN 11 0.111 -13.309 -11.842 105 H GLY 12 H GLY 12 3.355 -8.405 -10.696 106 HA2 GLY 12 HA3 GLY 12 4.212 -8.535 -13.443 107 HA3 GLY 12 HA2 GLY 12 4.131 -6.893 -12.811 108 H GLY 13 H GLY 13 5.255 -6.361 -11.012 109 HA2 GLY 13 HA3 GLY 13 6.899 -7.309 -9.266 110 HA3 GLY 13 HA2 GLY 13 7.872 -7.642 -10.695 111 H HIS 14 H HIS 14 6.172 -5.094 -9.016 112 HA HIS 14 HA HIS 14 8.298 -3.182 -9.544 113 HB2 HIS 14 HB2 HIS 14 5.380 -2.803 -10.136 114 HB3 HIS 14 HB3 HIS 14 6.365 -1.424 -9.670 115 HD1 HIS 14 HD1 HIS 14 7.086 -4.294 -12.074 116 HD2 HIS 14 HD2 HIS 14 6.932 -0.144 -11.981 117 HE1 HIS 14 HE1 HIS 14 7.822 -3.542 -14.357 118 HE2 HIS 14 HE2 HIS 14 7.608 -1.033 -14.313 119 H PHE 15 H PHE 15 7.869 -1.173 -7.980 120 HA PHE 15 HA PHE 15 6.612 -2.023 -5.512 121 HB2 PHE 15 HB2 PHE 15 8.846 -2.864 -5.174 122 HB3 PHE 15 HB3 PHE 15 9.548 -1.343 -5.717 123 HD1 PHE 15 HD2 PHE 15 6.613 -1.243 -3.600 124 HD2 PHE 15 HD1 PHE 15 10.857 -1.233 -3.633 125 HE1 PHE 15 HE2 PHE 15 6.666 -0.427 -1.291 126 HE2 PHE 15 HE1 PHE 15 10.888 -0.459 -1.317 127 HZ PHE 15 HZ PHE 15 8.786 -0.005 -0.152 128 H LEU 16 H LEU 16 5.804 -0.293 -4.338 129 HA LEU 16 HA LEU 16 5.693 2.180 -5.714 130 HB2 LEU 16 HB2 LEU 16 3.861 2.500 -4.464 131 HB3 LEU 16 HB3 LEU 16 4.147 0.918 -3.763 132 HG LEU 16 HG LEU 16 5.721 2.231 -2.133 133 HD11 LEU 16 HD11 LEU 16 5.559 4.450 -1.942 134 HD12 LEU 16 HD12 LEU 16 5.043 4.360 -3.625 135 HD13 LEU 16 HD13 LEU 16 3.843 4.471 -2.338 136 HD21 LEU 16 HD21 LEU 16 3.889 1.079 -1.237 137 HD22 LEU 16 HD22 LEU 16 3.709 2.736 -0.668 138 HD23 LEU 16 HD23 LEU 16 2.726 2.152 -2.011 139 H ARG 17 H ARG 17 6.522 3.999 -5.255 140 HA ARG 17 HA ARG 17 8.504 4.231 -3.126 141 HB2 ARG 17 HB2 ARG 17 10.265 4.634 -4.490 142 HB3 ARG 17 HB3 ARG 17 9.322 3.702 -5.643 143 HG2 ARG 17 HG2 ARG 17 8.342 6.074 -6.235 144 HG3 ARG 17 HG3 ARG 17 9.878 6.610 -5.548 145 HD2 ARG 17 HD2 ARG 17 11.072 5.112 -7.084 146 HD3 ARG 17 HD3 ARG 17 9.532 4.619 -7.790 147 HE ARG 17 HE ARG 17 10.593 7.372 -7.922 148 HH11 ARG 17 HH12 ARG 17 8.866 4.685 -9.312 149 HH12 ARG 17 HH11 ARG 17 8.556 5.495 -10.811 150 HH21 ARG 17 HH22 ARG 17 10.189 8.446 -9.889 151 HH22 ARG 17 HH21 ARG 17 9.307 7.633 -11.139 152 H ILE 18 H ILE 18 8.873 6.381 -2.429 153 HA ILE 18 HA ILE 18 6.595 8.104 -3.033 154 HB ILE 18 HB ILE 18 7.280 9.415 -1.132 155 HG12 ILE 18 HG12 ILE 18 9.489 7.476 -0.544 156 HG13 ILE 18 HG13 ILE 18 9.786 8.877 -1.567 157 HG21 ILE 18 HG21 ILE 18 6.984 7.718 0.626 158 HG22 ILE 18 HG22 ILE 18 5.868 7.497 -0.723 159 HG23 ILE 18 HG23 ILE 18 7.286 6.458 -0.571 160 HD11 ILE 18 HD11 ILE 18 8.801 8.929 1.274 161 HD12 ILE 18 HD12 ILE 18 10.423 9.336 0.715 162 HD13 ILE 18 HD13 ILE 18 9.053 10.343 0.249 163 H LEU 19 H LEU 19 6.695 10.092 -3.859 164 HA LEU 19 HA LEU 19 9.292 11.165 -4.712 165 HB2 LEU 19 HB2 LEU 19 7.994 12.033 -6.759 166 HB3 LEU 19 HB3 LEU 19 8.501 10.355 -6.741 167 HG LEU 19 HG LEU 19 5.739 11.096 -5.844 168 HD11 LEU 19 HD11 LEU 19 6.586 10.606 -8.697 169 HD12 LEU 19 HD12 LEU 19 4.936 10.826 -8.115 170 HD13 LEU 19 HD13 LEU 19 6.084 12.161 -8.034 171 HD21 LEU 19 HD21 LEU 19 5.289 8.822 -6.778 172 HD22 LEU 19 HD22 LEU 19 7.022 8.649 -7.046 173 HD23 LEU 19 HD23 LEU 19 6.397 8.838 -5.407 174 HA PRO 20 HA PRO 20 7.948 14.970 -2.949 175 HB2 PRO 20 HB2 PRO 20 8.821 16.468 -5.306 176 HB3 PRO 20 HB3 PRO 20 9.458 16.527 -3.657 177 HG2 PRO 20 HG2 PRO 20 10.870 15.428 -5.644 178 HG3 PRO 20 HG3 PRO 20 10.880 14.721 -4.016 179 HD2 PRO 20 HD2 PRO 20 9.335 13.862 -6.443 180 HD3 PRO 20 HD3 PRO 20 10.227 12.868 -5.268 181 H ASP 21 H ASP 21 6.332 13.679 -5.334 182 HA ASP 21 HA ASP 21 4.662 16.007 -5.967 183 HB2 ASP 21 HB2 ASP 21 5.413 14.673 -7.891 184 HB3 ASP 21 HB3 ASP 21 4.678 13.235 -7.189 185 H GLY 22 H GLY 22 4.810 13.242 -3.998 186 HA2 GLY 22 HA3 GLY 22 3.339 12.749 -2.240 187 HA3 GLY 22 HA2 GLY 22 2.133 13.775 -2.992 188 H THR 23 H THR 23 3.845 11.233 -4.722 189 HA THR 23 HA THR 23 1.289 9.841 -5.061 190 HB THR 23 HB THR 23 3.631 9.261 -6.758 191 HG1 THR 23 HG1 THR 23 3.259 11.158 -8.001 192 HG21 THR 23 HG21 THR 23 1.975 9.006 -8.464 193 HG22 THR 23 HG22 THR 23 0.756 9.817 -7.481 194 HG23 THR 23 HG23 THR 23 1.357 8.230 -7.005 195 H VAL 24 H VAL 24 1.141 7.648 -4.840 196 HA VAL 24 HA VAL 24 3.564 6.234 -3.899 197 HB VAL 24 HB VAL 24 2.028 5.797 -2.222 198 HG11 VAL 24 HG11 VAL 24 -0.433 5.563 -2.683 199 HG12 VAL 24 HG12 VAL 24 0.261 7.154 -3.004 200 HG13 VAL 24 HG13 VAL 24 -0.074 6.055 -4.340 201 HG21 VAL 24 HG21 VAL 24 1.089 3.612 -2.446 202 HG22 VAL 24 HG22 VAL 24 1.048 3.752 -4.202 203 HG23 VAL 24 HG23 VAL 24 2.589 3.635 -3.366 204 H ASP 25 H ASP 25 4.483 5.572 -5.779 205 HA ASP 25 HA ASP 25 2.768 3.961 -7.564 206 HB2 ASP 25 HB2 ASP 25 4.063 4.909 -9.528 207 HB3 ASP 25 HB3 ASP 25 2.939 6.015 -8.747 208 H GLY 26 H GLY 26 3.631 2.119 -8.528 209 HA2 GLY 26 HA3 GLY 26 6.232 1.527 -7.326 210 HA3 GLY 26 HA2 GLY 26 5.170 0.332 -7.997 211 H THR 27 H THR 27 7.919 1.164 -8.145 212 HA THR 27 HA THR 27 8.555 0.538 -10.871 213 HB THR 27 HB THR 27 9.508 3.021 -9.447 214 HG1 THR 27 HG1 THR 27 8.851 4.019 -11.385 215 HG21 THR 27 HG21 THR 27 11.189 3.272 -11.215 216 HG22 THR 27 HG22 THR 27 10.737 1.691 -11.857 217 HG23 THR 27 HG23 THR 27 11.458 1.819 -10.253 218 H ARG 28 H ARG 28 10.676 -0.699 -10.836 219 HA ARG 28 HA ARG 28 11.205 -1.234 -7.995 220 HB2 ARG 28 HB2 ARG 28 10.648 -3.192 -9.258 221 HB3 ARG 28 HB3 ARG 28 11.912 -2.849 -10.424 222 HG2 ARG 28 HG2 ARG 28 13.589 -3.148 -8.633 223 HG3 ARG 28 HG3 ARG 28 12.283 -3.605 -7.537 224 HD2 ARG 28 HD2 ARG 28 11.731 -5.501 -8.938 225 HD3 ARG 28 HD3 ARG 28 12.948 -5.018 -10.116 226 HE ARG 28 HE ARG 28 14.397 -5.312 -7.869 227 HH11 ARG 28 HH12 ARG 28 12.062 -7.364 -9.444 228 HH12 ARG 28 HH11 ARG 28 12.801 -8.835 -8.904 229 HH21 ARG 28 HH22 ARG 28 15.377 -7.243 -7.157 230 HH22 ARG 28 HH21 ARG 28 14.685 -8.767 -7.605 231 H ASP 29 H ASP 29 12.568 0.062 -7.291 232 HA ASP 29 HA ASP 29 15.338 -0.176 -8.220 233 HB2 ASP 29 HB2 ASP 29 14.048 2.485 -7.584 234 HB3 ASP 29 HB3 ASP 29 15.733 2.227 -8.032 235 H ARG 30 H ARG 30 16.051 -1.239 -6.341 236 HA ARG 30 HA ARG 30 15.333 -0.044 -3.795 237 HB2 ARG 30 HB2 ARG 30 15.262 -2.302 -3.504 238 HB3 ARG 30 HB3 ARG 30 16.584 -2.620 -4.622 239 HG2 ARG 30 HG2 ARG 30 17.166 -1.252 -2.039 240 HG3 ARG 30 HG3 ARG 30 16.847 -2.986 -2.037 241 HD2 ARG 30 HD2 ARG 30 18.657 -3.383 -3.561 242 HD3 ARG 30 HD3 ARG 30 18.906 -1.652 -3.788 243 HE ARG 30 HE ARG 30 19.803 -1.532 -1.588 244 HH11 ARG 30 HH12 ARG 30 19.098 -4.774 -2.652 245 HH12 ARG 30 HH11 ARG 30 20.133 -5.520 -1.483 246 HH21 ARG 30 HH22 ARG 30 21.169 -2.506 -0.047 247 HH22 ARG 30 HH21 ARG 30 21.312 -4.232 0.000 248 H SER 31 H SER 31 17.534 0.344 -6.169 249 HA SER 31 HA SER 31 19.838 1.010 -4.629 250 HB2 SER 31 HB2 SER 31 20.648 2.009 -6.769 251 HB3 SER 31 HB3 SER 31 20.110 0.340 -6.951 252 HG SER 31 HG SER 31 18.042 1.304 -7.622 253 H ASP 32 H ASP 32 16.818 2.447 -4.942 254 HA ASP 32 HA ASP 32 17.940 5.147 -4.707 255 HB2 ASP 32 HB2 ASP 32 15.994 4.576 -6.290 256 HB3 ASP 32 HB3 ASP 32 15.010 4.434 -4.837 257 H GLN 33 H GLN 33 16.301 6.453 -3.132 258 HA GLN 33 HA GLN 33 16.458 5.009 -0.586 259 HB2 GLN 33 HB2 GLN 33 16.882 7.113 0.475 260 HB3 GLN 33 HB3 GLN 33 17.964 6.916 -0.904 261 HG2 GLN 33 HG2 GLN 33 16.379 8.332 -2.229 262 HG3 GLN 33 HG3 GLN 33 15.530 8.669 -0.722 263 HE21 GLN 33 HE21 GLN 33 16.956 10.467 -2.536 264 HE22 GLN 33 HE22 GLN 33 18.159 11.252 -1.577 265 H HIS 34 H HIS 34 14.123 4.724 -2.213 266 HA HIS 34 HA HIS 34 12.186 6.103 -0.478 267 HB2 HIS 34 HB2 HIS 34 11.956 5.698 -3.460 268 HB3 HIS 34 HB3 HIS 34 10.657 6.290 -2.430 269 HD1 HIS 34 HD1 HIS 34 12.538 7.714 -4.806 270 HD2 HIS 34 HD2 HIS 34 12.286 8.554 -0.743 271 HE1 HIS 34 HE1 HIS 34 13.320 10.091 -4.559 272 HE2 HIS 34 HE2 HIS 34 13.048 10.612 -2.111 273 H ILE 35 H ILE 35 13.312 3.150 -1.584 274 HA ILE 35 HA ILE 35 10.897 1.715 -1.672 275 HB ILE 35 HB ILE 35 12.269 -0.201 -1.969 276 HG12 ILE 35 HG12 ILE 35 13.793 0.201 -0.033 277 HG13 ILE 35 HG13 ILE 35 14.627 -0.310 -1.492 278 HG21 ILE 35 HG21 ILE 35 12.210 1.490 -3.764 279 HG22 ILE 35 HG22 ILE 35 13.747 2.118 -3.168 280 HG23 ILE 35 HG23 ILE 35 13.648 0.470 -3.788 281 HD11 ILE 35 HD11 ILE 35 15.219 2.062 -1.911 282 HD12 ILE 35 HD12 ILE 35 14.502 2.467 -0.351 283 HD13 ILE 35 HD13 ILE 35 15.902 1.398 -0.427 284 H GLN 36 H GLN 36 11.575 3.070 1.130 285 HA GLN 36 HA GLN 36 11.236 0.555 2.620 286 HB2 GLN 36 HB2 GLN 36 12.441 1.487 4.507 287 HB3 GLN 36 HB3 GLN 36 13.435 1.502 3.059 288 HG2 GLN 36 HG2 GLN 36 11.928 3.983 3.495 289 HG3 GLN 36 HG3 GLN 36 13.110 3.604 4.753 290 HE21 GLN 36 HE21 GLN 36 13.504 2.597 1.438 291 HE22 GLN 36 HE22 GLN 36 14.819 3.653 1.067 292 H LEU 37 H LEU 37 9.074 0.509 2.915 293 HA LEU 37 HA LEU 37 7.892 2.758 4.403 294 HB2 LEU 37 HB2 LEU 37 5.841 2.446 3.380 295 HB3 LEU 37 HB3 LEU 37 6.976 2.213 2.066 296 HG LEU 37 HG LEU 37 6.644 -0.349 2.985 297 HD11 LEU 37 HD11 LEU 37 4.856 0.365 4.498 298 HD12 LEU 37 HD12 LEU 37 3.966 1.027 3.129 299 HD13 LEU 37 HD13 LEU 37 4.255 -0.710 3.237 300 HD21 LEU 37 HD21 LEU 37 5.163 1.140 0.825 301 HD22 LEU 37 HD22 LEU 37 6.689 0.271 0.668 302 HD23 LEU 37 HD23 LEU 37 5.199 -0.615 0.983 303 H GLN 38 H GLN 38 6.357 2.165 6.101 304 HA GLN 38 HA GLN 38 6.964 -0.501 7.143 305 HB2 GLN 38 HB2 GLN 38 7.114 0.364 9.287 306 HB3 GLN 38 HB3 GLN 38 7.780 1.677 8.310 307 HG2 GLN 38 HG2 GLN 38 5.561 2.782 8.406 308 HG3 GLN 38 HG3 GLN 38 5.025 1.524 9.519 309 HE21 GLN 38 HE21 GLN 38 7.082 4.289 9.084 310 HE22 GLN 38 HE22 GLN 38 7.453 4.531 10.755 311 H LEU 39 H LEU 39 5.332 -1.845 6.800 312 HA LEU 39 HA LEU 39 2.579 -0.812 7.056 313 HB2 LEU 39 HB2 LEU 39 3.805 -2.114 4.918 314 HB3 LEU 39 HB3 LEU 39 2.787 -3.335 5.662 315 HG LEU 39 HG LEU 39 1.888 -0.655 4.603 316 HD11 LEU 39 HD11 LEU 39 0.674 -1.942 2.970 317 HD12 LEU 39 HD12 LEU 39 2.379 -2.390 2.913 318 HD13 LEU 39 HD13 LEU 39 1.213 -3.451 3.705 319 HD21 LEU 39 HD21 LEU 39 0.569 -1.089 6.529 320 HD22 LEU 39 HD22 LEU 39 -0.402 -1.552 5.131 321 HD23 LEU 39 HD23 LEU 39 0.388 -2.793 6.105 322 H SER 40 H SER 40 2.148 -1.258 9.145 323 HA SER 40 HA SER 40 2.328 -4.069 10.012 324 HB2 SER 40 HB2 SER 40 3.703 -2.471 11.336 325 HB3 SER 40 HB3 SER 40 2.234 -1.581 11.737 326 HG SER 40 HG SER 40 2.813 -3.068 13.376 327 H ALA 41 H ALA 41 0.650 -4.626 11.699 328 HA ALA 41 HA ALA 41 -1.953 -3.375 11.071 329 HB1 ALA 41 HB1 ALA 41 -2.015 -5.751 10.531 330 HB2 ALA 41 HB2 ALA 41 -1.370 -6.157 12.123 331 HB3 ALA 41 HB3 ALA 41 -2.980 -5.448 11.982 332 H GLU 42 H GLU 42 -2.825 -2.238 12.750 333 HA GLU 42 HA GLU 42 -1.339 -2.443 15.274 334 HB2 GLU 42 HB2 GLU 42 -0.924 -0.455 13.945 335 HB3 GLU 42 HB3 GLU 42 -2.619 -0.008 14.082 336 HG2 GLU 42 HG2 GLU 42 -2.321 0.004 16.551 337 HG3 GLU 42 HG3 GLU 42 -0.590 -0.221 16.285 338 H SER 43 H SER 43 -4.477 -1.088 14.267 339 HA SER 43 HA SER 43 -5.442 -1.802 16.932 340 HB2 SER 43 HB2 SER 43 -6.587 0.051 14.832 341 HB3 SER 43 HB3 SER 43 -7.520 -0.473 16.233 342 HG SER 43 HG SER 43 -5.290 0.309 17.259 343 H VAL 44 H VAL 44 -8.037 -2.410 16.652 344 HA VAL 44 HA VAL 44 -7.866 -5.032 15.701 345 HB VAL 44 HB VAL 44 -10.384 -5.027 15.828 346 HG11 VAL 44 HG11 VAL 44 -8.931 -4.073 18.286 347 HG12 VAL 44 HG12 VAL 44 -10.426 -5.006 18.237 348 HG13 VAL 44 HG13 VAL 44 -8.918 -5.729 17.677 349 HG21 VAL 44 HG21 VAL 44 -10.803 -2.684 15.380 350 HG22 VAL 44 HG22 VAL 44 -11.442 -3.126 16.962 351 HG23 VAL 44 HG23 VAL 44 -9.929 -2.226 16.843 352 H GLY 45 H GLY 45 -7.645 -5.663 13.675 353 HA2 GLY 45 HA3 GLY 45 -8.140 -6.052 11.486 354 HA3 GLY 45 HA2 GLY 45 -9.636 -5.171 11.734 355 H GLU 46 H GLU 46 -7.081 -3.216 12.648 356 HA GLU 46 HA GLU 46 -7.222 -1.921 10.042 357 HB2 GLU 46 HB2 GLU 46 -6.033 -0.392 12.256 358 HB3 GLU 46 HB3 GLU 46 -7.185 0.111 11.026 359 HG2 GLU 46 HG2 GLU 46 -8.855 -1.352 12.333 360 HG3 GLU 46 HG3 GLU 46 -7.672 -1.232 13.630 361 H VAL 47 H VAL 47 -5.522 -1.268 8.932 362 HA VAL 47 HA VAL 47 -2.857 -2.138 9.837 363 HB VAL 47 HB VAL 47 -2.205 -2.420 7.483 364 HG11 VAL 47 HG11 VAL 47 -2.662 -4.424 8.590 365 HG12 VAL 47 HG12 VAL 47 -4.399 -4.119 8.621 366 HG13 VAL 47 HG13 VAL 47 -3.603 -4.532 7.103 367 HG21 VAL 47 HG21 VAL 47 -3.834 -2.528 5.719 368 HG22 VAL 47 HG22 VAL 47 -5.149 -2.231 6.855 369 HG23 VAL 47 HG23 VAL 47 -3.969 -0.963 6.520 370 H TYR 48 H TYR 48 -1.146 -0.753 9.434 371 HA TYR 48 HA TYR 48 -1.987 1.907 8.506 372 HB2 TYR 48 HB2 TYR 48 -1.305 1.379 11.054 373 HB3 TYR 48 HB3 TYR 48 0.285 1.747 10.395 374 HD1 TYR 48 HD1 TYR 48 -0.085 3.908 8.580 375 HD2 TYR 48 HD2 TYR 48 -2.119 3.171 12.243 376 HE1 TYR 48 HE1 TYR 48 -0.555 6.312 8.796 377 HE2 TYR 48 HE2 TYR 48 -2.596 5.571 12.468 378 HH TYR 48 HH TYR 48 -2.181 7.773 9.931 379 H ILE 49 H ILE 49 -0.997 2.627 6.820 380 HA ILE 49 HA ILE 49 1.553 1.458 5.977 381 HB ILE 49 HB ILE 49 -0.371 3.253 4.464 382 HG12 ILE 49 HG12 ILE 49 0.157 0.283 4.203 383 HG13 ILE 49 HG13 ILE 49 -1.288 1.008 4.899 384 HG21 ILE 49 HG21 ILE 49 2.099 1.788 3.526 385 HG22 ILE 49 HG22 ILE 49 0.985 2.685 2.495 386 HG23 ILE 49 HG23 ILE 49 1.931 3.533 3.718 387 HD11 ILE 49 HD11 ILE 49 -1.775 2.033 2.709 388 HD12 ILE 49 HD12 ILE 49 -0.380 1.187 2.037 389 HD13 ILE 49 HD13 ILE 49 -1.749 0.270 2.665 390 H LYS 50 H LYS 50 3.146 2.527 7.025 391 HA LYS 50 HA LYS 50 2.999 5.461 6.995 392 HB2 LYS 50 HB2 LYS 50 4.654 4.421 9.137 393 HB3 LYS 50 HB3 LYS 50 3.358 5.604 9.196 394 HG2 LYS 50 HG2 LYS 50 1.816 3.515 9.009 395 HG3 LYS 50 HG3 LYS 50 3.244 2.649 9.575 396 HD2 LYS 50 HD2 LYS 50 2.130 5.061 10.989 397 HD3 LYS 50 HD3 LYS 50 1.611 3.416 11.356 398 HE2 LYS 50 HE2 LYS 50 3.292 3.959 12.931 399 HE3 LYS 50 HE3 LYS 50 4.034 2.862 11.769 400 HZ1 LYS 50 HZ1 LYS 50 5.126 4.680 10.717 401 HZ2 LYS 50 HZ2 LYS 50 5.424 4.807 12.376 402 HZ3 LYS 50 HZ3 LYS 50 4.282 5.816 11.642 403 H SER 51 H SER 51 4.927 6.589 6.760 404 HA SER 51 HA SER 51 6.940 5.204 5.248 405 HB2 SER 51 HB2 SER 51 7.296 8.004 6.209 406 HB3 SER 51 HB3 SER 51 7.670 7.317 4.634 407 HG SER 51 HG SER 51 5.800 8.818 4.846 408 H THR 52 H THR 52 8.929 4.659 5.926 409 HA THR 52 HA THR 52 9.501 4.932 8.735 410 HB THR 52 HB THR 52 11.369 4.148 6.457 411 HG1 THR 52 HG1 THR 52 10.541 2.195 6.580 412 HG21 THR 52 HG21 THR 52 12.565 2.973 8.365 413 HG22 THR 52 HG22 THR 52 11.563 3.940 9.448 414 HG23 THR 52 HG23 THR 52 12.672 4.732 8.331 415 H GLU 53 H GLU 53 11.988 5.721 6.461 416 HA GLU 53 HA GLU 53 11.805 8.497 7.402 417 HB2 GLU 53 HB2 GLU 53 14.030 7.209 7.252 418 HB3 GLU 53 HB3 GLU 53 13.888 7.397 5.509 419 HG2 GLU 53 HG2 GLU 53 13.811 9.845 5.815 420 HG3 GLU 53 HG3 GLU 53 14.067 9.606 7.543 421 H THR 54 H THR 54 11.975 6.604 4.461 422 HA THR 54 HA THR 54 10.542 8.655 2.909 423 HB THR 54 HB THR 54 11.653 7.700 0.905 424 HG1 THR 54 HG1 THR 54 13.750 6.568 2.036 425 HG21 THR 54 HG21 THR 54 12.506 9.722 2.031 426 HG22 THR 54 HG22 THR 54 13.803 8.775 1.301 427 HG23 THR 54 HG23 THR 54 13.536 8.708 3.043 428 H GLY 55 H GLY 55 9.131 6.330 4.383 429 HA2 GLY 55 HA3 GLY 55 8.789 4.455 2.195 430 HA3 GLY 55 HA2 GLY 55 8.157 4.270 3.797 431 H GLN 56 H GLN 56 6.517 6.949 3.419 432 HA GLN 56 HA GLN 56 5.017 7.080 1.184 433 HB2 GLN 56 HB2 GLN 56 4.636 4.688 1.199 434 HB3 GLN 56 HB3 GLN 56 3.937 4.781 2.809 435 HG2 GLN 56 HG2 GLN 56 2.241 4.569 1.088 436 HG3 GLN 56 HG3 GLN 56 2.108 6.109 1.940 437 HE21 GLN 56 HE21 GLN 56 0.993 7.022 0.210 438 HE22 GLN 56 HE22 GLN 56 1.791 7.488 -1.245 439 H TYR 57 H TYR 57 3.617 8.615 1.316 440 HA TYR 57 HA TYR 57 2.344 9.204 3.901 441 HB2 TYR 57 HB2 TYR 57 3.458 11.158 3.490 442 HB3 TYR 57 HB3 TYR 57 3.508 10.921 1.782 443 HD1 TYR 57 HD1 TYR 57 0.658 11.288 4.153 444 HD2 TYR 57 HD2 TYR 57 2.677 12.904 0.770 445 HE1 TYR 57 HE1 TYR 57 -1.094 12.992 3.924 446 HE2 TYR 57 HE2 TYR 57 0.928 14.611 0.538 447 HH TYR 57 HH TYR 57 -1.432 14.927 1.167 448 H LEU 58 H LEU 58 1.086 7.306 3.039 449 HA LEU 58 HA LEU 58 -0.472 7.799 0.708 450 HB2 LEU 58 HB2 LEU 58 -0.002 5.571 2.394 451 HB3 LEU 58 HB3 LEU 58 -1.738 5.795 2.257 452 HG LEU 58 HG LEU 58 -0.087 5.887 -0.220 453 HD11 LEU 58 HD11 LEU 58 -0.146 3.505 -0.479 454 HD12 LEU 58 HD12 LEU 58 0.626 3.861 1.065 455 HD13 LEU 58 HD13 LEU 58 -1.048 3.310 1.023 456 HD21 LEU 58 HD21 LEU 58 -2.081 5.163 -1.268 457 HD22 LEU 58 HD22 LEU 58 -2.810 4.703 0.272 458 HD23 LEU 58 HD23 LEU 58 -2.554 6.404 -0.108 459 H ALA 59 H ALA 59 -2.207 8.674 0.404 460 HA ALA 59 HA ALA 59 -4.013 9.426 2.566 461 HB1 ALA 59 HB1 ALA 59 -2.161 11.184 1.421 462 HB2 ALA 59 HB2 ALA 59 -3.705 11.575 0.653 463 HB3 ALA 59 HB3 ALA 59 -3.563 11.612 2.411 464 H MET 60 H MET 60 -5.866 8.491 1.969 465 HA MET 60 HA MET 60 -6.503 8.067 -0.828 466 HB2 MET 60 HB2 MET 60 -7.449 7.181 1.809 467 HB3 MET 60 HB3 MET 60 -8.746 7.402 0.638 468 HG2 MET 60 HG2 MET 60 -6.301 5.774 0.037 469 HG3 MET 60 HG3 MET 60 -7.725 5.093 0.822 470 HE1 MET 60 HE1 MET 60 -9.206 3.680 -0.600 471 HE2 MET 60 HE2 MET 60 -8.961 3.579 -2.343 472 HE3 MET 60 HE3 MET 60 -7.607 3.324 -1.246 473 H ASP 61 H ASP 61 -7.587 9.514 -2.098 474 HA ASP 61 HA ASP 61 -9.202 11.560 -0.748 475 HB2 ASP 61 HB2 ASP 61 -9.020 12.786 -2.923 476 HB3 ASP 61 HB3 ASP 61 -7.501 12.589 -2.063 477 H THR 62 H THR 62 -11.247 11.108 -0.694 478 HA THR 62 HA THR 62 -13.348 10.506 -1.195 479 HB THR 62 HB THR 62 -14.166 10.992 -3.219 480 HG1 THR 62 HG1 THR 62 -12.056 9.447 -4.170 481 HG21 THR 62 HG21 THR 62 -13.032 12.780 -4.235 482 HG22 THR 62 HG22 THR 62 -11.453 12.107 -3.830 483 HG23 THR 62 HG23 THR 62 -12.478 12.777 -2.560 484 H ASP 63 H ASP 63 -10.708 8.714 -2.239 485 HA ASP 63 HA ASP 63 -10.235 6.543 -1.890 486 HB2 ASP 63 HB2 ASP 63 -12.547 6.572 -0.588 487 HB3 ASP 63 HB3 ASP 63 -13.033 5.602 -1.966 488 H GLY 64 H GLY 64 -10.899 8.108 -4.295 489 HA2 GLY 64 HA3 GLY 64 -11.633 6.000 -6.221 490 HA3 GLY 64 HA2 GLY 64 -11.536 7.717 -6.569 491 H LEU 65 H LEU 65 -9.145 8.227 -5.369 492 HA LEU 65 HA LEU 65 -7.107 6.605 -6.690 493 HB2 LEU 65 HB2 LEU 65 -6.990 8.179 -8.313 494 HB3 LEU 65 HB3 LEU 65 -7.865 9.369 -7.366 495 HG LEU 65 HG LEU 65 -5.703 9.746 -6.081 496 HD11 LEU 65 HD11 LEU 65 -3.636 9.096 -7.228 497 HD12 LEU 65 HD12 LEU 65 -4.566 7.693 -6.698 498 HD13 LEU 65 HD13 LEU 65 -4.584 8.173 -8.395 499 HD21 LEU 65 HD21 LEU 65 -4.864 11.287 -7.692 500 HD22 LEU 65 HD22 LEU 65 -5.573 10.373 -9.023 501 HD23 LEU 65 HD23 LEU 65 -6.616 11.222 -7.881 502 H LEU 66 H LEU 66 -5.317 6.373 -5.395 503 HA LEU 66 HA LEU 66 -5.344 8.012 -2.936 504 HB2 LEU 66 HB2 LEU 66 -4.014 5.743 -2.211 505 HB3 LEU 66 HB3 LEU 66 -5.709 6.063 -1.914 506 HG LEU 66 HG LEU 66 -4.594 4.518 -4.250 507 HD11 LEU 66 HD11 LEU 66 -4.379 3.114 -2.393 508 HD12 LEU 66 HD12 LEU 66 -5.905 3.659 -1.698 509 HD13 LEU 66 HD13 LEU 66 -5.908 2.647 -3.143 510 HD21 LEU 66 HD21 LEU 66 -7.229 5.646 -3.773 511 HD22 LEU 66 HD22 LEU 66 -6.503 5.009 -5.252 512 HD23 LEU 66 HD23 LEU 66 -7.258 3.910 -4.087 513 H TYR 67 H TYR 67 -3.698 9.342 -2.728 514 HA TYR 67 HA TYR 67 -1.125 8.515 -3.951 515 HB2 TYR 67 HB2 TYR 67 -0.727 10.772 -4.697 516 HB3 TYR 67 HB3 TYR 67 -2.310 10.270 -5.279 517 HD1 TYR 67 HD1 TYR 67 -4.247 10.829 -3.437 518 HD2 TYR 67 HD2 TYR 67 -0.605 12.990 -3.953 519 HE1 TYR 67 HE1 TYR 67 -5.281 12.808 -2.418 520 HE2 TYR 67 HE2 TYR 67 -1.640 14.968 -2.931 521 HH TYR 67 HH TYR 67 -3.857 15.898 -2.543 522 H GLY 68 H GLY 68 0.769 9.044 -2.834 523 HA2 GLY 68 HA3 GLY 68 0.703 10.734 -0.521 524 HA3 GLY 68 HA2 GLY 68 0.711 9.033 -0.103 525 H SER 69 H SER 69 2.757 11.218 0.363 526 HA SER 69 HA SER 69 4.940 9.515 -0.527 527 HB2 SER 69 HB2 SER 69 4.670 11.091 -2.340 528 HB3 SER 69 HB3 SER 69 4.950 12.415 -1.200 529 HG SER 69 HG SER 69 6.979 10.959 -0.798 530 H GLN 70 H GLN 70 4.627 12.619 1.288 531 HA GLN 70 HA GLN 70 7.273 12.147 2.370 532 HB2 GLN 70 HB2 GLN 70 5.339 14.391 2.491 533 HB3 GLN 70 HB3 GLN 70 6.638 14.325 3.673 534 HG2 GLN 70 HG2 GLN 70 7.328 15.694 1.850 535 HG3 GLN 70 HG3 GLN 70 8.261 14.199 1.817 536 HE21 GLN 70 HE21 GLN 70 5.752 16.051 0.274 537 HE22 GLN 70 HE22 GLN 70 5.735 15.169 -1.212 538 H THR 71 H THR 71 4.077 12.347 3.889 539 HA THR 71 HA THR 71 5.263 11.129 6.313 540 HB THR 71 HB THR 71 3.352 12.692 7.425 541 HG1 THR 71 HG1 THR 71 3.561 13.691 5.052 542 HG21 THR 71 HG21 THR 71 6.276 13.219 6.950 543 HG22 THR 71 HG22 THR 71 5.506 12.548 8.387 544 HG23 THR 71 HG23 THR 71 5.289 14.251 7.984 545 HA PRO 72 HA PRO 72 1.372 8.956 6.123 546 HB2 PRO 72 HB2 PRO 72 1.783 7.187 8.047 547 HB3 PRO 72 HB3 PRO 72 2.891 7.279 6.672 548 HG2 PRO 72 HG2 PRO 72 3.310 8.133 9.480 549 HG3 PRO 72 HG3 PRO 72 4.504 7.658 8.262 550 HD2 PRO 72 HD2 PRO 72 3.639 10.330 9.000 551 HD3 PRO 72 HD3 PRO 72 4.924 9.859 7.865 552 H ASN 73 H ASN 73 -0.368 10.224 6.695 553 HA ASN 73 HA ASN 73 -0.943 10.772 9.526 554 HB2 ASN 73 HB2 ASN 73 -2.304 11.743 6.987 555 HB3 ASN 73 HB3 ASN 73 -2.767 12.206 8.622 556 HD21 ASN 73 HD21 ASN 73 -1.827 13.804 6.337 557 HD22 ASN 73 HD22 ASN 73 -0.458 14.683 6.918 558 H GLU 74 H GLU 74 -3.665 10.427 9.810 559 HA GLU 74 HA GLU 74 -3.816 7.748 8.612 560 HB2 GLU 74 HB2 GLU 74 -5.817 7.516 10.213 561 HB3 GLU 74 HB3 GLU 74 -4.213 7.541 10.933 562 HG2 GLU 74 HG2 GLU 74 -4.499 9.900 11.494 563 HG3 GLU 74 HG3 GLU 74 -6.108 9.874 10.774 564 H GLU 75 H GLU 75 -4.269 8.183 6.863 565 HA GLU 75 HA GLU 75 -6.935 8.849 5.983 566 HB2 GLU 75 HB2 GLU 75 -4.345 9.724 4.674 567 HB3 GLU 75 HB3 GLU 75 -5.952 9.950 3.988 568 HG2 GLU 75 HG2 GLU 75 -6.542 11.462 5.771 569 HG3 GLU 75 HG3 GLU 75 -4.999 11.164 6.571 570 H CYS 76 H CYS 76 -3.796 7.397 5.843 571 HA CYS 76 HA CYS 76 -4.337 5.625 3.629 572 HB2 CYS 76 HB2 CYS 76 -2.099 5.089 3.794 573 HB3 CYS 76 HB3 CYS 76 -2.101 6.678 4.558 574 HG CYS 76 HG CYS 76 -1.293 3.727 5.838 575 H LEU 77 H LEU 77 -5.594 5.435 6.645 576 HA LEU 77 HA LEU 77 -4.814 2.779 7.361 577 HB2 LEU 77 HB2 LEU 77 -6.058 3.022 9.297 578 HB3 LEU 77 HB3 LEU 77 -5.508 4.651 8.969 579 HG LEU 77 HG LEU 77 -7.871 4.850 7.787 580 HD11 LEU 77 HD11 LEU 77 -8.392 2.785 9.922 581 HD12 LEU 77 HD12 LEU 77 -9.586 3.576 8.892 582 HD13 LEU 77 HD13 LEU 77 -8.417 2.457 8.190 583 HD21 LEU 77 HD21 LEU 77 -8.758 5.712 9.911 584 HD22 LEU 77 HD22 LEU 77 -7.424 4.937 10.767 585 HD23 LEU 77 HD23 LEU 77 -7.099 6.238 9.620 586 H PHE 78 H PHE 78 -5.666 0.970 6.727 587 HA PHE 78 HA PHE 78 -8.353 1.016 5.614 588 HB2 PHE 78 HB2 PHE 78 -6.199 -0.660 4.338 589 HB3 PHE 78 HB3 PHE 78 -7.761 -0.230 3.696 590 HD1 PHE 78 HD2 PHE 78 -8.045 2.523 3.706 591 HD2 PHE 78 HD1 PHE 78 -4.450 0.301 3.202 592 HE1 PHE 78 HE2 PHE 78 -7.044 4.420 2.502 593 HE2 PHE 78 HE1 PHE 78 -3.442 2.195 2.002 594 HZ PHE 78 HZ PHE 78 -4.753 4.242 1.610 595 H LEU 79 H LEU 79 -9.281 -1.248 5.452 596 HA LEU 79 HA LEU 79 -8.789 -2.677 7.913 597 HB2 LEU 79 HB2 LEU 79 -11.100 -2.169 7.201 598 HB3 LEU 79 HB3 LEU 79 -10.857 -3.145 5.766 599 HG LEU 79 HG LEU 79 -10.365 -4.511 8.341 600 HD11 LEU 79 HD11 LEU 79 -13.138 -3.727 7.453 601 HD12 LEU 79 HD12 LEU 79 -12.759 -4.897 8.716 602 HD13 LEU 79 HD13 LEU 79 -12.321 -3.202 8.925 603 HD21 LEU 79 HD21 LEU 79 -11.938 -5.295 5.890 604 HD22 LEU 79 HD22 LEU 79 -10.219 -5.609 6.122 605 HD23 LEU 79 HD23 LEU 79 -11.403 -6.355 7.194 606 H GLU 80 H GLU 80 -8.031 -4.745 8.083 607 HA GLU 80 HA GLU 80 -6.602 -5.664 5.721 608 HB2 GLU 80 HB2 GLU 80 -5.534 -5.390 8.033 609 HB3 GLU 80 HB3 GLU 80 -6.412 -6.841 8.484 610 HG2 GLU 80 HG2 GLU 80 -5.294 -8.053 6.652 611 HG3 GLU 80 HG3 GLU 80 -4.344 -6.607 6.314 612 H ARG 81 H ARG 81 -7.029 -7.441 4.642 613 HA ARG 81 HA ARG 81 -8.994 -9.357 5.670 614 HB2 ARG 81 HB2 ARG 81 -10.054 -7.921 3.973 615 HB3 ARG 81 HB3 ARG 81 -8.777 -8.317 2.834 616 HG2 ARG 81 HG2 ARG 81 -10.579 -9.659 2.206 617 HG3 ARG 81 HG3 ARG 81 -9.509 -10.740 3.101 618 HD2 ARG 81 HD2 ARG 81 -11.859 -9.319 4.340 619 HD3 ARG 81 HD3 ARG 81 -11.955 -10.939 3.653 620 HE ARG 81 HE ARG 81 -9.865 -10.963 5.471 621 HH11 ARG 81 HH12 ARG 81 -13.310 -10.444 5.508 622 HH12 ARG 81 HH11 ARG 81 -13.512 -11.036 7.124 623 HH21 ARG 81 HH22 ARG 81 -10.121 -11.744 7.599 624 HH22 ARG 81 HH21 ARG 81 -11.699 -11.774 8.312 625 H LEU 82 H LEU 82 -8.362 -11.427 5.527 626 HA LEU 82 HA LEU 82 -5.736 -11.940 4.361 627 HB2 LEU 82 HB2 LEU 82 -5.864 -14.074 5.642 628 HB3 LEU 82 HB3 LEU 82 -5.922 -12.625 6.629 629 HG LEU 82 HG LEU 82 -8.560 -13.057 6.301 630 HD11 LEU 82 HD11 LEU 82 -9.048 -15.415 6.483 631 HD12 LEU 82 HD12 LEU 82 -8.118 -15.133 5.011 632 HD13 LEU 82 HD13 LEU 82 -7.330 -15.813 6.433 633 HD21 LEU 82 HD21 LEU 82 -6.790 -14.337 8.385 634 HD22 LEU 82 HD22 LEU 82 -7.403 -12.683 8.416 635 HD23 LEU 82 HD23 LEU 82 -8.522 -14.041 8.541 636 H GLU 83 H GLU 83 -5.448 -13.049 2.565 637 HA GLU 83 HA GLU 83 -7.755 -14.204 1.219 638 HB2 GLU 83 HB2 GLU 83 -6.148 -12.698 0.022 639 HB3 GLU 83 HB3 GLU 83 -4.912 -13.933 0.221 640 HG2 GLU 83 HG2 GLU 83 -5.869 -14.025 -1.997 641 HG3 GLU 83 HG3 GLU 83 -6.250 -15.489 -1.096 642 H GLU 84 H GLU 84 -7.569 -16.349 0.203 643 HA GLU 84 HA GLU 84 -6.331 -18.223 2.066 644 HB2 GLU 84 HB2 GLU 84 -8.673 -18.591 1.559 645 HB3 GLU 84 HB3 GLU 84 -8.334 -18.617 -0.165 646 HG2 GLU 84 HG2 GLU 84 -8.697 -20.856 0.685 647 HG3 GLU 84 HG3 GLU 84 -7.043 -20.665 0.108 648 H ASN 85 H ASN 85 -5.825 -16.901 -1.042 649 HA ASN 85 HA ASN 85 -4.118 -19.118 -1.861 650 HB2 ASN 85 HB2 ASN 85 -4.984 -16.615 -3.321 651 HB3 ASN 85 HB3 ASN 85 -3.885 -17.815 -3.995 652 HD21 ASN 85 HD21 ASN 85 -4.675 -19.841 -4.564 653 HD22 ASN 85 HD22 ASN 85 -6.364 -20.144 -4.766 654 H HIS 86 H HIS 86 -3.336 -17.740 0.385 655 HA HIS 86 HA HIS 86 -1.579 -16.670 1.364 656 HB2 HIS 86 HB2 HIS 86 -0.416 -18.567 0.286 657 HB3 HIS 86 HB3 HIS 86 -0.137 -17.573 -1.139 658 HD1 HIS 86 HD1 HIS 86 2.158 -16.688 -1.197 659 HD2 HIS 86 HD2 HIS 86 0.770 -17.073 2.700 660 HE1 HIS 86 HE1 HIS 86 4.052 -15.925 0.269 661 HE2 HIS 86 HE2 HIS 86 3.159 -16.085 2.620 662 H TYR 87 H TYR 87 -3.054 -14.744 0.588 663 HA TYR 87 HA TYR 87 -1.201 -12.761 -0.483 664 HB2 TYR 87 HB2 TYR 87 -3.850 -13.467 -1.703 665 HB3 TYR 87 HB3 TYR 87 -3.238 -11.822 -1.817 666 HD1 TYR 87 HD1 TYR 87 -0.565 -11.860 -2.503 667 HD2 TYR 87 HD2 TYR 87 -3.504 -14.740 -3.580 668 HE1 TYR 87 HE1 TYR 87 0.787 -12.504 -4.454 669 HE2 TYR 87 HE2 TYR 87 -2.158 -15.391 -5.529 670 HH TYR 87 HH TYR 87 1.057 -14.494 -5.932 671 H ASN 88 H ASN 88 -1.852 -10.547 -0.036 672 HA ASN 88 HA ASN 88 -3.603 -10.383 2.324 673 HB2 ASN 88 HB2 ASN 88 -1.168 -8.843 1.460 674 HB3 ASN 88 HB3 ASN 88 -2.313 -8.144 2.594 675 HD21 ASN 88 HD21 ASN 88 -2.564 -9.081 4.637 676 HD22 ASN 88 HD22 ASN 88 -1.373 -10.143 5.297 677 H THR 89 H THR 89 -5.314 -9.032 2.315 678 HA THR 89 HA THR 89 -5.691 -7.343 -0.067 679 HB THR 89 HB THR 89 -7.988 -8.674 1.365 680 HG1 THR 89 HG1 THR 89 -6.847 -9.684 -1.026 681 HG21 THR 89 HG21 THR 89 -8.604 -6.834 -0.062 682 HG22 THR 89 HG22 THR 89 -9.044 -8.330 -0.888 683 HG23 THR 89 HG23 THR 89 -7.593 -7.449 -1.371 684 H TYR 90 H TYR 90 -7.342 -5.556 0.371 685 HA TYR 90 HA TYR 90 -7.553 -4.850 3.190 686 HB2 TYR 90 HB2 TYR 90 -6.145 -3.049 1.214 687 HB3 TYR 90 HB3 TYR 90 -6.549 -2.627 2.872 688 HD1 TYR 90 HD1 TYR 90 -5.543 -4.187 4.716 689 HD2 TYR 90 HD2 TYR 90 -4.057 -3.928 0.739 690 HE1 TYR 90 HE1 TYR 90 -3.382 -5.084 5.470 691 HE2 TYR 90 HE2 TYR 90 -1.892 -4.824 1.483 692 HH TYR 90 HH TYR 90 -0.585 -4.969 3.589 693 H ILE 91 H ILE 91 -8.976 -3.083 3.641 694 HA ILE 91 HA ILE 91 -10.818 -2.426 1.435 695 HB ILE 91 HB ILE 91 -11.419 -3.701 3.933 696 HG12 ILE 91 HG12 ILE 91 -13.719 -3.724 2.950 697 HG13 ILE 91 HG13 ILE 91 -13.131 -2.660 1.676 698 HG21 ILE 91 HG21 ILE 91 -11.611 -1.462 4.893 699 HG22 ILE 91 HG22 ILE 91 -12.734 -1.005 3.612 700 HG23 ILE 91 HG23 ILE 91 -13.188 -2.244 4.784 701 HD11 ILE 91 HD11 ILE 91 -13.239 -5.002 0.973 702 HD12 ILE 91 HD12 ILE 91 -11.594 -4.367 0.921 703 HD13 ILE 91 HD13 ILE 91 -12.089 -5.426 2.242 704 H SER 92 H SER 92 -11.525 -0.270 1.380 705 HA SER 92 HA SER 92 -9.677 1.522 2.707 706 HB2 SER 92 HB2 SER 92 -11.545 2.982 1.167 707 HB3 SER 92 HB3 SER 92 -9.856 2.642 0.790 708 HG SER 92 HG SER 92 -11.932 1.788 -0.510 709 H LYS 93 H LYS 93 -10.246 1.662 4.747 710 HA LYS 93 HA LYS 93 -12.925 2.014 5.625 711 HB2 LYS 93 HB2 LYS 93 -10.210 1.961 6.820 712 HB3 LYS 93 HB3 LYS 93 -11.492 2.725 7.770 713 HG2 LYS 93 HG2 LYS 93 -12.798 0.671 7.626 714 HG3 LYS 93 HG3 LYS 93 -11.530 -0.068 6.649 715 HD2 LYS 93 HD2 LYS 93 -10.973 -0.888 8.716 716 HD3 LYS 93 HD3 LYS 93 -10.020 0.597 8.702 717 HE2 LYS 93 HE2 LYS 93 -12.755 0.287 9.935 718 HE3 LYS 93 HE3 LYS 93 -11.230 0.268 10.822 719 HZ1 LYS 93 HZ1 LYS 93 -12.247 2.550 9.215 720 HZ2 LYS 93 HZ2 LYS 93 -10.817 2.528 10.119 721 HZ3 LYS 93 HZ3 LYS 93 -12.314 2.436 10.902 722 H LYS 94 H LYS 94 -10.969 4.031 3.972 723 HA LYS 94 HA LYS 94 -11.148 6.501 5.305 724 HB2 LYS 94 HB2 LYS 94 -9.657 6.239 3.385 725 HB3 LYS 94 HB3 LYS 94 -11.016 5.863 2.338 726 HG2 LYS 94 HG2 LYS 94 -10.665 8.033 1.762 727 HG3 LYS 94 HG3 LYS 94 -11.837 8.245 3.068 728 HD2 LYS 94 HD2 LYS 94 -8.875 8.297 3.575 729 HD3 LYS 94 HD3 LYS 94 -9.762 9.742 3.087 730 HE2 LYS 94 HE2 LYS 94 -10.264 8.058 5.540 731 HE3 LYS 94 HE3 LYS 94 -9.548 9.668 5.500 732 HZ1 LYS 94 HZ1 LYS 94 -11.908 9.685 6.118 733 HZ2 LYS 94 HZ2 LYS 94 -12.309 9.023 4.613 734 HZ3 LYS 94 HZ3 LYS 94 -11.616 10.564 4.701 735 H HIS 95 H HIS 95 -12.953 5.377 2.496 736 HA HIS 95 HA HIS 95 -15.057 7.199 2.916 737 HB2 HIS 95 HB2 HIS 95 -16.192 6.033 1.097 738 HB3 HIS 95 HB3 HIS 95 -14.488 6.238 0.684 739 HD1 HIS 95 HD1 HIS 95 -13.143 4.162 0.304 740 HD2 HIS 95 HD2 HIS 95 -16.857 3.359 1.956 741 HE1 HIS 95 HE1 HIS 95 -13.340 1.664 0.325 742 HE2 HIS 95 HE2 HIS 95 -15.540 1.199 1.446 743 H ALA 96 H ALA 96 -14.195 4.273 4.199 744 HA ALA 96 HA ALA 96 -15.257 2.566 5.315 745 HB1 ALA 96 HB1 ALA 96 -14.810 4.157 7.037 746 HB2 ALA 96 HB2 ALA 96 -16.269 5.067 6.647 747 HB3 ALA 96 HB3 ALA 96 -16.395 3.451 7.342 748 H GLU 97 H GLU 97 -17.828 4.930 5.534 749 HA GLU 97 HA GLU 97 -19.922 3.113 5.476 750 HB2 GLU 97 HB2 GLU 97 -19.999 6.023 4.702 751 HB3 GLU 97 HB3 GLU 97 -21.372 5.042 5.200 752 HG2 GLU 97 HG2 GLU 97 -20.509 4.822 7.408 753 HG3 GLU 97 HG3 GLU 97 -18.979 5.565 6.942 754 H LYS 98 H LYS 98 -18.110 4.084 2.661 755 HA LYS 98 HA LYS 98 -20.483 3.673 0.997 756 HB2 LYS 98 HB2 LYS 98 -17.792 4.811 0.537 757 HB3 LYS 98 HB3 LYS 98 -18.564 4.029 -0.832 758 HG2 LYS 98 HG2 LYS 98 -19.147 6.294 -0.989 759 HG3 LYS 98 HG3 LYS 98 -20.580 5.482 -0.359 760 HD2 LYS 98 HD2 LYS 98 -20.480 7.264 1.069 761 HD3 LYS 98 HD3 LYS 98 -19.486 6.110 1.961 762 HE2 LYS 98 HE2 LYS 98 -17.471 7.108 0.956 763 HE3 LYS 98 HE3 LYS 98 -18.486 8.283 0.124 764 HZ1 LYS 98 HZ1 LYS 98 -19.148 9.219 2.190 765 HZ2 LYS 98 HZ2 LYS 98 -17.460 9.101 2.215 766 HZ3 LYS 98 HZ3 LYS 98 -18.399 7.986 3.073 767 H ASN 99 H ASN 99 -17.980 1.751 2.227 768 HA ASN 99 HA ASN 99 -17.704 -0.499 2.083 769 HB2 ASN 99 HB2 ASN 99 -20.226 -0.348 1.471 770 HB3 ASN 99 HB3 ASN 99 -19.671 -0.761 -0.148 771 HD21 ASN 99 HD21 ASN 99 -18.777 -2.787 -0.529 772 HD22 ASN 99 HD22 ASN 99 -18.954 -4.095 0.587 773 H TRP 100 H TRP 100 -16.383 1.461 -0.099 774 HA TRP 100 HA TRP 100 -15.874 -0.423 -2.209 775 HB2 TRP 100 HB2 TRP 100 -14.126 1.939 -1.687 776 HB3 TRP 100 HB3 TRP 100 -14.474 1.161 -3.215 777 HD1 TRP 100 HD1 TRP 100 -17.819 1.682 -2.040 778 HE1 TRP 100 HE1 TRP 100 -18.741 3.993 -2.744 779 HE3 TRP 100 HE3 TRP 100 -13.446 3.901 -3.365 780 HZ2 TRP 100 HZ2 TRP 100 -17.697 6.465 -3.740 781 HZ3 TRP 100 HZ3 TRP 100 -13.466 6.213 -4.177 782 HH2 TRP 100 HH2 TRP 100 -15.509 7.482 -4.347 783 H PHE 101 H PHE 101 -13.559 -0.874 -2.821 784 HA PHE 101 HA PHE 101 -12.142 -1.942 -0.475 785 HB2 PHE 101 HB2 PHE 101 -11.546 -2.633 -3.351 786 HB3 PHE 101 HB3 PHE 101 -11.115 -3.533 -1.907 787 HD1 PHE 101 HD1 PHE 101 -14.019 -2.481 -3.961 788 HD2 PHE 101 HD2 PHE 101 -12.457 -5.281 -1.164 789 HE1 PHE 101 HE1 PHE 101 -16.043 -3.855 -4.212 790 HE2 PHE 101 HE2 PHE 101 -14.475 -6.663 -1.415 791 HZ PHE 101 HZ PHE 101 -16.194 -6.037 -3.059 792 H VAL 102 H VAL 102 -9.850 -1.546 -0.245 793 HA VAL 102 HA VAL 102 -8.990 0.864 -1.677 794 HB VAL 102 HB VAL 102 -8.668 1.014 0.705 795 HG11 VAL 102 HG11 VAL 102 -7.246 -0.530 1.933 796 HG12 VAL 102 HG12 VAL 102 -8.612 -1.369 1.208 797 HG13 VAL 102 HG13 VAL 102 -7.016 -1.490 0.475 798 HG21 VAL 102 HG21 VAL 102 -6.888 1.847 -0.933 799 HG22 VAL 102 HG22 VAL 102 -6.435 1.704 0.763 800 HG23 VAL 102 HG23 VAL 102 -5.930 0.472 -0.389 801 H GLY 103 H GLY 103 -7.834 0.605 -3.482 802 HA2 GLY 103 HA3 GLY 103 -5.894 -1.612 -3.535 803 HA3 GLY 103 HA2 GLY 103 -6.959 -1.354 -4.894 804 H LEU 104 H LEU 104 -4.134 -1.416 -4.822 805 HA LEU 104 HA LEU 104 -3.675 1.239 -5.953 806 HB2 LEU 104 HB2 LEU 104 -1.276 0.997 -5.066 807 HB3 LEU 104 HB3 LEU 104 -2.545 1.597 -4.028 808 HG LEU 104 HG LEU 104 -2.689 -0.607 -2.944 809 HD11 LEU 104 HD11 LEU 104 -0.749 -2.161 -3.333 810 HD12 LEU 104 HD12 LEU 104 -1.941 -2.110 -4.631 811 HD13 LEU 104 HD13 LEU 104 -0.411 -1.251 -4.806 812 HD21 LEU 104 HD21 LEU 104 0.094 0.539 -3.013 813 HD22 LEU 104 HD22 LEU 104 -1.264 1.254 -2.139 814 HD23 LEU 104 HD23 LEU 104 -0.668 -0.340 -1.683 815 H LYS 105 H LYS 105 -2.514 1.318 -7.839 816 HA LYS 105 HA LYS 105 -1.622 -1.324 -8.785 817 HB2 LYS 105 HB2 LYS 105 -3.146 0.021 -10.256 818 HB3 LYS 105 HB3 LYS 105 -1.891 1.246 -10.356 819 HG2 LYS 105 HG2 LYS 105 -1.781 -0.048 -12.335 820 HG3 LYS 105 HG3 LYS 105 -0.389 -0.491 -11.344 821 HD2 LYS 105 HD2 LYS 105 -1.464 -2.514 -10.630 822 HD3 LYS 105 HD3 LYS 105 -2.973 -2.044 -11.417 823 HE2 LYS 105 HE2 LYS 105 -1.846 -2.133 -13.597 824 HE3 LYS 105 HE3 LYS 105 -0.355 -2.629 -12.798 825 HZ1 LYS 105 HZ1 LYS 105 -2.903 -4.142 -12.933 826 HZ2 LYS 105 HZ2 LYS 105 -1.600 -4.589 -11.953 827 HZ3 LYS 105 HZ3 LYS 105 -1.420 -4.562 -13.634 828 H LYS 106 H LYS 106 0.265 -1.636 -7.856 829 HA LYS 106 HA LYS 106 2.171 0.447 -7.593 830 HB2 LYS 106 HB2 LYS 106 3.651 -1.191 -6.666 831 HB3 LYS 106 HB3 LYS 106 2.032 -1.492 -6.038 832 HG2 LYS 106 HG2 LYS 106 2.705 -3.618 -6.550 833 HG3 LYS 106 HG3 LYS 106 1.868 -3.170 -8.028 834 HD2 LYS 106 HD2 LYS 106 4.008 -2.570 -9.044 835 HD3 LYS 106 HD3 LYS 106 4.833 -3.022 -7.558 836 HE2 LYS 106 HE2 LYS 106 4.923 -5.136 -8.214 837 HE3 LYS 106 HE3 LYS 106 3.179 -5.192 -8.419 838 HZ1 LYS 106 HZ1 LYS 106 3.558 -4.126 -10.636 839 HZ2 LYS 106 HZ2 LYS 106 4.126 -5.710 -10.493 840 HZ3 LYS 106 HZ3 LYS 106 5.211 -4.417 -10.427 841 H ASN 107 H ASN 107 1.476 -1.962 -10.052 842 HA ASN 107 HA ASN 107 4.060 -1.801 -11.209 843 HB2 ASN 107 HB2 ASN 107 2.576 -3.626 -11.844 844 HB3 ASN 107 HB3 ASN 107 1.388 -2.487 -12.471 845 HD21 ASN 107 HD21 ASN 107 1.383 -3.267 -14.534 846 HD22 ASN 107 HD22 ASN 107 2.730 -3.123 -15.607 847 H GLY 108 H GLY 108 1.533 0.287 -10.779 848 HA2 GLY 108 HA3 GLY 108 2.558 2.135 -12.845 849 HA3 GLY 108 HA2 GLY 108 0.842 2.012 -12.472 850 H SER 109 H SER 109 0.079 2.661 -10.673 851 HA SER 109 HA SER 109 1.529 4.176 -8.690 852 HB2 SER 109 HB2 SER 109 -0.566 5.503 -10.446 853 HB3 SER 109 HB3 SER 109 0.166 6.222 -9.012 854 HG SER 109 HG SER 109 2.000 6.534 -10.079 855 H CYS 110 H CYS 110 -0.166 4.839 -6.915 856 HA CYS 110 HA CYS 110 -1.968 2.536 -6.736 857 HB2 CYS 110 HB2 CYS 110 -0.759 2.632 -4.811 858 HB3 CYS 110 HB3 CYS 110 -0.485 4.353 -4.958 859 HG CYS 110 HG CYS 110 -2.331 2.869 -2.832 860 H LYS 111 H LYS 111 -3.916 3.023 -7.765 861 HA LYS 111 HA LYS 111 -5.505 5.134 -6.648 862 HB2 LYS 111 HB2 LYS 111 -6.301 5.850 -8.892 863 HB3 LYS 111 HB3 LYS 111 -4.642 6.301 -8.542 864 HG2 LYS 111 HG2 LYS 111 -5.435 3.925 -10.218 865 HG3 LYS 111 HG3 LYS 111 -5.013 5.506 -10.868 866 HD2 LYS 111 HD2 LYS 111 -2.815 5.169 -9.496 867 HD3 LYS 111 HD3 LYS 111 -3.264 3.460 -9.540 868 HE2 LYS 111 HE2 LYS 111 -1.757 4.092 -11.384 869 HE3 LYS 111 HE3 LYS 111 -3.318 3.502 -11.957 870 HZ1 LYS 111 HZ1 LYS 111 -2.541 5.491 -13.146 871 HZ2 LYS 111 HZ2 LYS 111 -2.592 6.371 -11.703 872 HZ3 LYS 111 HZ3 LYS 111 -4.019 5.748 -12.363 873 H ARG 112 H ARG 112 -7.112 3.577 -5.830 874 HA ARG 112 HA ARG 112 -8.458 2.329 -8.062 875 HB2 ARG 112 HB2 ARG 112 -7.633 0.769 -5.636 876 HB3 ARG 112 HB3 ARG 112 -8.624 0.165 -6.957 877 HG2 ARG 112 HG2 ARG 112 -5.881 1.291 -7.419 878 HG3 ARG 112 HG3 ARG 112 -6.143 -0.411 -6.993 879 HD2 ARG 112 HD2 ARG 112 -7.140 -0.909 -8.994 880 HD3 ARG 112 HD3 ARG 112 -7.752 0.728 -9.219 881 HE ARG 112 HE ARG 112 -4.990 0.872 -9.409 882 HH11 ARG 112 HH12 ARG 112 -7.608 -0.680 -11.104 883 HH12 ARG 112 HH11 ARG 112 -6.812 -0.632 -12.642 884 HH21 ARG 112 HH22 ARG 112 -3.940 0.947 -11.437 885 HH22 ARG 112 HH21 ARG 112 -4.728 0.289 -12.831 886 H GLY 113 H GLY 113 -10.138 3.909 -7.708 887 HA2 GLY 113 HA3 GLY 113 -11.871 3.151 -5.458 888 HA3 GLY 113 HA2 GLY 113 -12.044 4.594 -6.461 889 HA PRO 114 HA PRO 114 -14.834 2.576 -9.201 890 HB2 PRO 114 HB2 PRO 114 -13.178 3.192 -11.560 891 HB3 PRO 114 HB3 PRO 114 -14.805 3.747 -11.157 892 HG2 PRO 114 HG2 PRO 114 -12.685 5.391 -11.056 893 HG3 PRO 114 HG3 PRO 114 -14.033 5.530 -9.911 894 HD2 PRO 114 HD2 PRO 114 -11.326 4.313 -9.518 895 HD3 PRO 114 HD3 PRO 114 -12.292 5.304 -8.403 896 H ARG 115 H ARG 115 -11.504 1.641 -9.134 897 HA ARG 115 HA ARG 115 -12.037 -0.726 -10.758 898 HB2 ARG 115 HB2 ARG 115 -9.519 0.589 -9.776 899 HB3 ARG 115 HB3 ARG 115 -9.508 -1.072 -10.354 900 HG2 ARG 115 HG2 ARG 115 -8.871 0.253 -12.184 901 HG3 ARG 115 HG3 ARG 115 -10.548 -0.203 -12.485 902 HD2 ARG 115 HD2 ARG 115 -11.296 1.970 -11.682 903 HD3 ARG 115 HD3 ARG 115 -9.632 2.423 -11.317 904 HE ARG 115 HE ARG 115 -9.936 1.680 -14.045 905 HH11 ARG 115 HH12 ARG 115 -10.503 4.278 -11.792 906 HH12 ARG 115 HH11 ARG 115 -10.434 5.514 -13.003 907 HH21 ARG 115 HH22 ARG 115 -9.842 3.299 -15.643 908 HH22 ARG 115 HH21 ARG 115 -10.059 4.957 -15.192 909 H THR 116 H THR 116 -11.588 0.308 -7.444 910 HA THR 116 HA THR 116 -10.820 -2.228 -6.455 911 HB THR 116 HB THR 116 -11.936 -1.233 -4.282 912 HG1 THR 116 HG1 THR 116 -12.871 0.576 -5.287 913 HG21 THR 116 HG21 THR 116 -9.677 0.184 -4.223 914 HG22 THR 116 HG22 THR 116 -9.357 -0.764 -5.674 915 HG23 THR 116 HG23 THR 116 -9.682 -1.577 -4.145 916 H HIS 117 H HIS 117 -11.804 -3.887 -6.604 917 HA HIS 117 HA HIS 117 -13.959 -5.055 -5.721 918 HB2 HIS 117 HB2 HIS 117 -15.358 -3.175 -6.790 919 HB3 HIS 117 HB3 HIS 117 -14.843 -3.796 -8.353 920 HD1 HIS 117 HD1 HIS 117 -16.864 -4.818 -5.325 921 HD2 HIS 117 HD2 HIS 117 -16.321 -5.904 -9.300 922 HE1 HIS 117 HE1 HIS 117 -18.658 -6.512 -5.810 923 HE2 HIS 117 HE2 HIS 117 -18.244 -7.231 -8.189 924 H TYR 118 H TYR 118 -14.638 -6.879 -7.819 925 HA TYR 118 HA TYR 118 -11.903 -7.513 -8.564 926 HB2 TYR 118 HB2 TYR 118 -13.717 -9.242 -7.989 927 HB3 TYR 118 HB3 TYR 118 -14.382 -8.915 -9.585 928 HD1 TYR 118 HD2 TYR 118 -12.921 -9.345 -11.610 929 HD2 TYR 118 HD1 TYR 118 -11.919 -10.737 -7.716 930 HE1 TYR 118 HE2 TYR 118 -11.374 -10.981 -12.598 931 HE2 TYR 118 HE1 TYR 118 -10.370 -12.376 -8.693 932 HH TYR 118 HH TYR 118 -9.366 -12.261 -11.919 933 H GLY 119 H GLY 119 -11.568 -5.609 -9.601 934 HA2 GLY 119 HA3 GLY 119 -12.564 -5.368 -12.352 935 HA3 GLY 119 HA2 GLY 119 -12.029 -4.001 -11.361 936 H GLN 120 H GLN 120 -9.849 -5.007 -10.175 937 HA GLN 120 HA GLN 120 -7.976 -5.728 -12.323 938 HB2 GLN 120 HB2 GLN 120 -8.200 -3.122 -10.989 939 HB3 GLN 120 HB3 GLN 120 -6.574 -3.811 -10.927 940 HG2 GLN 120 HG2 GLN 120 -8.044 -3.748 -13.523 941 HG3 GLN 120 HG3 GLN 120 -7.305 -2.272 -12.907 942 HE21 GLN 120 HE21 GLN 120 -5.977 -5.446 -12.330 943 HE22 GLN 120 HE22 GLN 120 -4.580 -5.259 -13.325 944 H LYS 121 H LYS 121 -6.010 -6.584 -11.638 945 HA LYS 121 HA LYS 121 -6.073 -7.993 -9.134 946 HB2 LYS 121 HB2 LYS 121 -3.889 -8.909 -9.933 947 HB3 LYS 121 HB3 LYS 121 -5.218 -9.134 -11.058 948 HG2 LYS 121 HG2 LYS 121 -4.416 -7.116 -12.294 949 HG3 LYS 121 HG3 LYS 121 -2.995 -7.121 -11.247 950 HD2 LYS 121 HD2 LYS 121 -2.494 -9.421 -12.003 951 HD3 LYS 121 HD3 LYS 121 -3.869 -9.333 -13.104 952 HE2 LYS 121 HE2 LYS 121 -1.548 -7.413 -13.158 953 HE3 LYS 121 HE3 LYS 121 -1.642 -8.866 -14.154 954 HZ1 LYS 121 HZ1 LYS 121 -3.420 -6.496 -14.237 955 HZ2 LYS 121 HZ2 LYS 121 -3.790 -7.949 -15.018 956 HZ3 LYS 121 HZ3 LYS 121 -2.411 -7.078 -15.465 957 H ALA 122 H ALA 122 -5.361 -4.922 -9.808 958 HA ALA 122 HA ALA 122 -2.914 -4.475 -8.465 959 HB1 ALA 122 HB1 ALA 122 -3.659 -2.134 -8.314 960 HB2 ALA 122 HB2 ALA 122 -3.904 -2.794 -9.930 961 HB3 ALA 122 HB3 ALA 122 -5.272 -2.620 -8.831 962 H ILE 123 H ILE 123 -5.824 -5.621 -7.400 963 HA ILE 123 HA ILE 123 -5.700 -4.494 -4.725 964 HB ILE 123 HB ILE 123 -7.610 -6.559 -5.827 965 HG12 ILE 123 HG12 ILE 123 -7.862 -3.545 -5.692 966 HG13 ILE 123 HG13 ILE 123 -7.673 -4.504 -7.156 967 HG21 ILE 123 HG21 ILE 123 -9.065 -5.843 -3.989 968 HG22 ILE 123 HG22 ILE 123 -7.532 -6.461 -3.377 969 HG23 ILE 123 HG23 ILE 123 -7.820 -4.722 -3.435 970 HD11 ILE 123 HD11 ILE 123 -9.964 -3.802 -6.853 971 HD12 ILE 123 HD12 ILE 123 -9.832 -5.557 -6.739 972 HD13 ILE 123 HD13 ILE 123 -10.017 -4.590 -5.275 973 H LEU 124 H LEU 124 -4.064 -6.875 -6.285 974 HA LEU 124 HA LEU 124 -4.073 -8.757 -4.029 975 HB2 LEU 124 HB2 LEU 124 -2.955 -8.833 -6.810 976 HB3 LEU 124 HB3 LEU 124 -2.339 -9.931 -5.589 977 HG LEU 124 HG LEU 124 -4.700 -10.737 -5.247 978 HD11 LEU 124 HD11 LEU 124 -5.815 -8.762 -6.210 979 HD12 LEU 124 HD12 LEU 124 -5.214 -9.226 -7.802 980 HD13 LEU 124 HD13 LEU 124 -6.346 -10.274 -6.947 981 HD21 LEU 124 HD21 LEU 124 -3.096 -12.012 -6.547 982 HD22 LEU 124 HD22 LEU 124 -4.701 -12.127 -7.270 983 HD23 LEU 124 HD23 LEU 124 -3.484 -11.070 -7.986 984 H PHE 125 H PHE 125 -2.868 -8.096 -2.352 985 HA PHE 125 HA PHE 125 -0.421 -6.604 -2.859 986 HB2 PHE 125 HB2 PHE 125 -1.897 -7.073 -0.274 987 HB3 PHE 125 HB3 PHE 125 -0.526 -6.008 -0.495 988 HD1 PHE 125 HD1 PHE 125 -3.935 -6.557 -1.900 989 HD2 PHE 125 HD2 PHE 125 -0.942 -3.762 -0.753 990 HE1 PHE 125 HE1 PHE 125 -5.461 -4.707 -2.443 991 HE2 PHE 125 HE2 PHE 125 -2.465 -1.906 -1.288 992 HZ PHE 125 HZ PHE 125 -4.742 -2.369 -2.066 993 H LEU 126 H LEU 126 1.572 -7.128 -2.256 994 HA LEU 126 HA LEU 126 1.982 -9.565 -0.665 995 HB2 LEU 126 HB2 LEU 126 3.448 -8.801 -3.200 996 HB3 LEU 126 HB3 LEU 126 3.977 -10.058 -2.100 997 HG LEU 126 HG LEU 126 1.547 -11.007 -2.564 998 HD11 LEU 126 HD11 LEU 126 0.777 -10.594 -4.790 999 HD12 LEU 126 HD12 LEU 126 0.942 -9.044 -3.964 1000 HD13 LEU 126 HD13 LEU 126 2.163 -9.557 -5.129 1001 HD21 LEU 126 HD21 LEU 126 3.696 -12.134 -2.997 1002 HD22 LEU 126 HD22 LEU 126 2.507 -12.436 -4.263 1003 HD23 LEU 126 HD23 LEU 126 3.811 -11.283 -4.537 1004 HA PRO 127 HA PRO 127 4.678 -6.427 1.116 1005 HB2 PRO 127 HB2 PRO 127 4.269 -7.062 3.660 1006 HB3 PRO 127 HB3 PRO 127 2.955 -6.393 2.684 1007 HG2 PRO 127 HG2 PRO 127 3.356 -9.162 3.653 1008 HG3 PRO 127 HG3 PRO 127 1.853 -8.326 3.229 1009 HD2 PRO 127 HD2 PRO 127 3.441 -10.115 1.596 1010 HD3 PRO 127 HD3 PRO 127 1.886 -9.351 1.205 1011 H LEU 128 H LEU 128 6.833 -6.562 1.166 1012 HA LEU 128 HA LEU 128 8.069 -8.786 2.632 1013 HB2 LEU 128 HB2 LEU 128 8.877 -7.794 -0.100 1014 HB3 LEU 128 HB3 LEU 128 9.883 -8.833 0.893 1015 HG LEU 128 HG LEU 128 7.151 -9.546 -0.185 1016 HD11 LEU 128 HD11 LEU 128 9.842 -10.665 -0.945 1017 HD12 LEU 128 HD12 LEU 128 8.281 -11.015 -1.686 1018 HD13 LEU 128 HD13 LEU 128 9.002 -9.415 -1.862 1019 HD21 LEU 128 HD21 LEU 128 7.505 -10.642 1.924 1020 HD22 LEU 128 HD22 LEU 128 7.733 -11.819 0.631 1021 HD23 LEU 128 HD23 LEU 128 9.133 -11.126 1.449 1022 HA PRO 129 HA PRO 129 10.186 -5.189 4.283 1023 HB2 PRO 129 HB2 PRO 129 11.316 -6.337 6.411 1024 HB3 PRO 129 HB3 PRO 129 9.566 -6.094 6.324 1025 HG2 PRO 129 HG2 PRO 129 11.162 -8.580 5.877 1026 HG3 PRO 129 HG3 PRO 129 9.599 -8.381 6.688 1027 HD2 PRO 129 HD2 PRO 129 9.953 -9.241 4.067 1028 HD3 PRO 129 HD3 PRO 129 8.447 -8.582 4.733 1029 H VAL 130 H VAL 130 12.443 -4.555 4.875 1030 HA VAL 130 HA VAL 130 14.217 -5.267 2.819 1031 HB VAL 130 HB VAL 130 15.463 -4.292 5.308 1032 HG11 VAL 130 HG11 VAL 130 16.727 -4.394 3.262 1033 HG12 VAL 130 HG12 VAL 130 15.523 -3.408 2.431 1034 HG13 VAL 130 HG13 VAL 130 16.496 -2.708 3.726 1035 HG21 VAL 130 HG21 VAL 130 14.555 -2.015 5.003 1036 HG22 VAL 130 HG22 VAL 130 13.426 -2.649 3.807 1037 HG23 VAL 130 HG23 VAL 130 13.319 -3.176 5.486 1038 H SER 131 H SER 131 15.823 -6.684 2.619 1039 HA SER 131 HA SER 131 16.185 -8.639 4.790 1040 HB2 SER 131 HB2 SER 131 15.212 -9.638 2.785 1041 HB3 SER 131 HB3 SER 131 16.530 -9.001 1.801 1042 HG SER 131 HG SER 131 16.467 -11.310 2.983 1043 H SER 132 H SER 132 18.232 -9.194 5.449 1044 HA SER 132 HA SER 132 20.371 -7.417 4.529 1045 HB2 SER 132 HB2 SER 132 21.542 -8.119 6.606 1046 HB3 SER 132 HB3 SER 132 19.969 -7.389 6.926 1047 HG SER 132 HG SER 132 20.837 -9.778 7.660 1048 H ASP 133 H ASP 133 21.288 -8.329 2.763 1049 HA ASP 133 HA ASP 133 21.922 -11.173 2.759 1050 HB2 ASP 133 HB2 ASP 133 20.983 -10.229 0.714 1051 HB3 ASP 133 HB3 ASP 133 22.290 -9.052 0.633
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