NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
645418 | 6tkt | 50088 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 1.811 -0.001 0.854 2 HA2 GLY 1 HA2 GLY 1 2.434 1.000 -1.437 3 HA3 GLY 1 HA3 GLY 1 2.916 -0.665 -1.151 4 H ALA 2 H ALA 2 2.404 0.552 -3.695 5 HA ALA 2 HA ALA 2 0.052 -1.010 -4.546 6 HB1 ALA 2 HB1 ALA 2 -0.153 1.488 -4.763 7 HB2 ALA 2 HB2 ALA 2 1.129 1.411 -5.973 8 HB3 ALA 2 HB3 ALA 2 -0.398 0.575 -6.253 9 H MET 3 H MET 3 0.251 -1.378 -7.074 10 HA MET 3 HA MET 3 1.254 -2.594 -8.713 11 HB2 MET 3 HB2 MET 3 3.689 -1.107 -7.716 12 HB3 MET 3 HB3 MET 3 3.643 -2.056 -9.196 13 HG2 MET 3 HG2 MET 3 1.609 -0.504 -9.758 14 HG3 MET 3 HG3 MET 3 2.373 0.560 -8.578 15 HE1 MET 3 HE1 MET 3 3.668 2.480 -11.550 16 HE2 MET 3 HE2 MET 3 2.191 2.164 -10.639 17 HE3 MET 3 HE3 MET 3 3.680 2.582 -9.789 18 H ALA 4 H ALA 4 0.811 -4.003 -6.406 19 HA ALA 4 HA ALA 4 2.485 -6.228 -6.711 20 HB1 ALA 4 HB1 ALA 4 3.319 -5.925 -4.162 21 HB2 ALA 4 HB2 ALA 4 4.282 -5.490 -5.574 22 HB3 ALA 4 HB3 ALA 4 3.365 -4.251 -4.717 23 H ASN 5 H ASN 5 1.487 -7.989 -5.906 24 HA ASN 5 HA ASN 5 -0.794 -7.529 -4.102 25 HB2 ASN 5 HB2 ASN 5 -0.327 -9.617 -6.232 26 HB3 ASN 5 HB3 ASN 5 -1.617 -9.748 -5.040 27 HD21 ASN 5 HD21 ASN 5 -2.286 -9.727 -7.635 28 HD22 ASN 5 HD22 ASN 5 -3.035 -8.230 -8.064 29 HA PRO 6 HA PRO 6 0.984 -10.047 -0.978 30 HB2 PRO 6 HB2 PRO 6 -1.207 -11.281 0.043 31 HB3 PRO 6 HB3 PRO 6 -0.862 -9.567 0.303 32 HG2 PRO 6 HG2 PRO 6 -2.721 -10.848 -1.663 33 HG3 PRO 6 HG3 PRO 6 -2.977 -9.414 -0.651 34 HD2 PRO 6 HD2 PRO 6 -2.317 -9.249 -3.272 35 HD3 PRO 6 HD3 PRO 6 -1.797 -8.041 -2.078 36 H LYS 7 H LYS 7 1.816 -12.066 -0.652 37 HA LYS 7 HA LYS 7 1.927 -13.907 -2.704 38 HB2 LYS 7 HB2 LYS 7 2.676 -15.533 -0.876 39 HB3 LYS 7 HB3 LYS 7 3.605 -14.051 -1.062 40 HG2 LYS 7 HG2 LYS 7 1.461 -13.669 0.818 41 HG3 LYS 7 HG3 LYS 7 2.458 -15.053 1.272 42 HD2 LYS 7 HD2 LYS 7 3.992 -12.719 0.398 43 HD3 LYS 7 HD3 LYS 7 3.023 -12.437 1.846 44 HE2 LYS 7 HE2 LYS 7 4.822 -13.303 2.894 45 HE3 LYS 7 HE3 LYS 7 4.086 -14.841 2.443 46 HZ1 LYS 7 HZ1 LYS 7 6.595 -14.157 1.849 47 HZ2 LYS 7 HZ2 LYS 7 5.809 -13.656 0.438 48 HZ3 LYS 7 HZ3 LYS 7 5.687 -15.264 0.948 49 H THR 8 H THR 8 -0.310 -13.751 0.009 50 HA THR 8 HA THR 8 -2.093 -15.582 -1.384 51 HB THR 8 HB THR 8 -2.479 -16.978 0.601 52 HG1 THR 8 HG1 THR 8 -1.680 -16.375 2.458 53 HG21 THR 8 HG21 THR 8 0.474 -17.020 0.049 54 HG22 THR 8 HG22 THR 8 -0.700 -17.490 -1.180 55 HG23 THR 8 HG23 THR 8 -0.615 -18.376 0.343 56 H ILE 9 H ILE 9 -4.170 -15.851 0.069 57 HA ILE 9 HA ILE 9 -4.772 -13.375 1.505 58 HB ILE 9 HB ILE 9 -6.970 -13.223 0.276 59 HG12 ILE 9 HG12 ILE 9 -5.747 -14.607 -2.046 60 HG13 ILE 9 HG13 ILE 9 -6.352 -15.637 -0.753 61 HG21 ILE 9 HG21 ILE 9 -6.099 -11.823 -1.391 62 HG22 ILE 9 HG22 ILE 9 -4.883 -11.811 -0.116 63 HG23 ILE 9 HG23 ILE 9 -4.635 -12.791 -1.561 64 HD11 ILE 9 HD11 ILE 9 -7.936 -15.120 -2.657 65 HD12 ILE 9 HD12 ILE 9 -8.547 -14.862 -1.022 66 HD13 ILE 9 HD13 ILE 9 -8.029 -13.487 -1.997 67 H LYS 10 H LYS 10 -6.145 -13.640 3.183 68 HA LYS 10 HA LYS 10 -6.695 -16.224 4.148 69 HB2 LYS 10 HB2 LYS 10 -7.459 -13.455 4.944 70 HB3 LYS 10 HB3 LYS 10 -8.365 -14.791 5.641 71 HG2 LYS 10 HG2 LYS 10 -5.427 -15.035 5.718 72 HG3 LYS 10 HG3 LYS 10 -6.139 -13.776 6.731 73 HD2 LYS 10 HD2 LYS 10 -7.599 -16.278 6.908 74 HD3 LYS 10 HD3 LYS 10 -5.902 -16.467 7.357 75 HE2 LYS 10 HE2 LYS 10 -7.121 -14.070 8.477 76 HE3 LYS 10 HE3 LYS 10 -7.925 -15.552 8.990 77 HZ1 LYS 10 HZ1 LYS 10 -6.158 -14.987 10.508 78 HZ2 LYS 10 HZ2 LYS 10 -5.028 -14.954 9.250 79 HZ3 LYS 10 HZ3 LYS 10 -5.760 -16.414 9.690 80 H ALA 11 H ALA 11 -8.434 -17.533 4.008 81 HA ALA 11 HA ALA 11 -10.201 -17.404 1.894 82 HB1 ALA 11 HB1 ALA 11 -9.798 -19.091 4.161 83 HB2 ALA 11 HB2 ALA 11 -11.526 -18.813 3.944 84 HB3 ALA 11 HB3 ALA 11 -10.565 -19.468 2.618 85 H ALA 12 H ALA 12 -10.590 -16.168 5.174 86 HA ALA 12 HA ALA 12 -13.288 -15.561 5.178 87 HB1 ALA 12 HB1 ALA 12 -11.077 -14.997 6.805 88 HB2 ALA 12 HB2 ALA 12 -11.824 -13.441 6.442 89 HB3 ALA 12 HB3 ALA 12 -12.781 -14.730 7.173 90 H ALA 13 H ALA 13 -10.616 -13.827 3.693 91 HA ALA 13 HA ALA 13 -11.986 -11.440 3.088 92 HB1 ALA 13 HB1 ALA 13 -10.160 -10.884 1.730 93 HB2 ALA 13 HB2 ALA 13 -9.476 -11.902 2.998 94 HB3 ALA 13 HB3 ALA 13 -9.781 -12.574 1.396 95 H TYR 14 H TYR 14 -11.796 -14.539 1.459 96 HA TYR 14 HA TYR 14 -12.903 -13.710 -1.012 97 HB2 TYR 14 HB2 TYR 14 -11.672 -15.937 -0.297 98 HB3 TYR 14 HB3 TYR 14 -13.315 -16.490 0.004 99 HD1 TYR 14 HD1 TYR 14 -11.371 -14.728 -2.662 100 HD2 TYR 14 HD2 TYR 14 -14.413 -17.550 -1.724 101 HE1 TYR 14 HE1 TYR 14 -11.632 -15.234 -5.055 102 HE2 TYR 14 HE2 TYR 14 -14.682 -18.064 -4.114 103 HH TYR 14 HH TYR 14 -12.459 -17.117 -6.460 104 H ASN 15 H ASN 15 -14.359 -15.362 1.789 105 HA ASN 15 HA ASN 15 -16.994 -15.340 0.779 106 HB2 ASN 15 HB2 ASN 15 -15.696 -15.915 3.374 107 HB3 ASN 15 HB3 ASN 15 -17.388 -15.434 3.459 108 HD21 ASN 15 HD21 ASN 15 -15.234 -17.950 2.896 109 HD22 ASN 15 HD22 ASN 15 -16.362 -19.124 2.316 110 H GLN 16 H GLN 16 -15.155 -13.049 2.705 111 HA GLN 16 HA GLN 16 -17.388 -11.373 3.322 112 HB2 GLN 16 HB2 GLN 16 -15.357 -11.433 4.718 113 HB3 GLN 16 HB3 GLN 16 -14.429 -10.753 3.387 114 HG2 GLN 16 HG2 GLN 16 -15.075 -9.116 5.140 115 HG3 GLN 16 HG3 GLN 16 -15.607 -8.692 3.513 116 HE21 GLN 16 HE21 GLN 16 -17.607 -7.998 3.365 117 HE22 GLN 16 HE22 GLN 16 -18.902 -8.371 4.446 118 H ALA 17 H ALA 17 -14.973 -11.490 0.780 119 HA ALA 17 HA ALA 17 -15.502 -8.933 -0.323 120 HB1 ALA 17 HB1 ALA 17 -14.427 -9.985 -2.397 121 HB2 ALA 17 HB2 ALA 17 -13.451 -9.871 -0.932 122 HB3 ALA 17 HB3 ALA 17 -14.185 -11.409 -1.385 123 H ARG 18 H ARG 18 -16.606 -12.195 -1.229 124 HA ARG 18 HA ARG 18 -18.294 -11.292 -3.328 125 HB2 ARG 18 HB2 ARG 18 -19.275 -13.605 -3.159 126 HB3 ARG 18 HB3 ARG 18 -17.535 -13.549 -3.407 127 HG2 ARG 18 HG2 ARG 18 -17.240 -14.814 -1.620 128 HG3 ARG 18 HG3 ARG 18 -18.003 -13.579 -0.616 129 HD2 ARG 18 HD2 ARG 18 -19.109 -15.758 -0.392 130 HD3 ARG 18 HD3 ARG 18 -20.189 -14.535 -1.060 131 HE ARG 18 HE ARG 18 -18.856 -16.088 -3.069 132 HH11 ARG 18 HH11 ARG 18 -21.580 -15.966 -0.905 133 HH12 ARG 18 HH12 ARG 18 -22.554 -17.032 -1.862 134 HH21 ARG 18 HH21 ARG 18 -20.129 -17.492 -4.339 135 HH22 ARG 18 HH22 ARG 18 -21.728 -17.900 -3.815 136 H SER 19 H SER 19 -18.754 -11.878 0.098 137 HA SER 19 HA SER 19 -21.539 -11.916 0.211 138 HB2 SER 19 HB2 SER 19 -20.220 -12.499 2.152 139 HB3 SER 19 HB3 SER 19 -19.531 -10.877 2.224 140 HG SER 19 HG SER 19 -21.811 -11.780 3.299 141 H THR 20 H THR 20 -19.313 -9.156 0.470 142 HA THR 20 HA THR 20 -21.201 -7.151 0.869 143 HB THR 20 HB THR 20 -18.605 -6.902 -0.663 144 HG1 THR 20 HG1 THR 20 -17.944 -6.130 1.538 145 HG21 THR 20 HG21 THR 20 -20.664 -5.006 0.009 146 HG22 THR 20 HG22 THR 20 -19.192 -4.768 -0.933 147 HG23 THR 20 HG23 THR 20 -19.156 -4.585 0.820 148 H LEU 21 H LEU 21 -19.995 -8.569 -2.136 149 HA LEU 21 HA LEU 21 -21.350 -6.781 -3.872 150 HB2 LEU 21 HB2 LEU 21 -20.562 -9.607 -4.526 151 HB3 LEU 21 HB3 LEU 21 -20.731 -8.243 -5.630 152 HG LEU 21 HG LEU 21 -18.647 -8.178 -3.484 153 HD11 LEU 21 HD11 LEU 21 -18.785 -10.195 -5.445 154 HD12 LEU 21 HD12 LEU 21 -17.443 -9.814 -4.367 155 HD13 LEU 21 HD13 LEU 21 -17.536 -9.062 -5.960 156 HD21 LEU 21 HD21 LEU 21 -17.504 -6.759 -5.091 157 HD22 LEU 21 HD22 LEU 21 -19.132 -6.155 -4.784 158 HD23 LEU 21 HD23 LEU 21 -18.784 -7.035 -6.273 159 H ALA 22 H ALA 22 -22.260 -9.728 -2.245 160 HA ALA 22 HA ALA 22 -24.445 -10.551 -3.731 161 HB1 ALA 22 HB1 ALA 22 -23.322 -11.487 -1.530 162 HB2 ALA 22 HB2 ALA 22 -24.666 -10.636 -0.769 163 HB3 ALA 22 HB3 ALA 22 -24.983 -11.892 -1.965 164 H ASP 23 H ASP 23 -24.100 -7.778 -1.679 165 HA ASP 23 HA ASP 23 -26.765 -7.227 -1.067 166 HB2 ASP 23 HB2 ASP 23 -24.357 -5.465 -1.461 167 HB3 ASP 23 HB3 ASP 23 -25.934 -4.783 -1.072 168 H ALA 24 H ALA 24 -24.917 -6.645 -3.992 169 HA ALA 24 HA ALA 24 -27.293 -5.430 -5.233 170 HB1 ALA 24 HB1 ALA 24 -25.931 -3.967 -6.196 171 HB2 ALA 24 HB2 ALA 24 -24.596 -4.659 -5.273 172 HB3 ALA 24 HB3 ALA 24 -24.959 -5.265 -6.889 173 H GLY 25 H GLY 25 -25.115 -8.129 -5.332 174 HA2 GLY 25 HA2 GLY 25 -26.280 -10.124 -6.371 175 HA3 GLY 25 HA3 GLY 25 -26.437 -9.097 -7.789 176 H SER 26 H SER 26 -25.097 -11.676 -7.523 177 HA SER 26 HA SER 26 -22.376 -10.837 -8.282 178 HB2 SER 26 HB2 SER 26 -21.417 -12.622 -7.163 179 HB3 SER 26 HB3 SER 26 -22.769 -12.254 -6.091 180 HG SER 26 HG SER 26 -23.319 -14.250 -6.415 181 H ARG 27 H ARG 27 -21.950 -11.180 -10.350 182 HA ARG 27 HA ARG 27 -23.683 -12.783 -11.986 183 HB2 ARG 27 HB2 ARG 27 -21.409 -10.934 -12.428 184 HB3 ARG 27 HB3 ARG 27 -21.659 -12.171 -13.653 185 HG2 ARG 27 HG2 ARG 27 -23.791 -10.265 -12.715 186 HG3 ARG 27 HG3 ARG 27 -22.779 -10.011 -14.139 187 HD2 ARG 27 HD2 ARG 27 -23.610 -12.325 -14.885 188 HD3 ARG 27 HD3 ARG 27 -24.857 -12.120 -13.657 189 HE ARG 27 HE ARG 27 -25.914 -10.648 -15.045 190 HH11 ARG 27 HH11 ARG 27 -22.608 -10.990 -16.080 191 HH12 ARG 27 HH12 ARG 27 -22.822 -10.043 -17.515 192 HH21 ARG 27 HH21 ARG 27 -26.209 -9.399 -16.931 193 HH22 ARG 27 HH22 ARG 27 -24.870 -9.138 -17.997 194 H THR 28 H THR 28 -20.164 -12.881 -11.391 195 HA THR 28 HA THR 28 -19.937 -15.532 -12.464 196 HB THR 28 HB THR 28 -17.628 -15.378 -12.083 197 HG1 THR 28 HG1 THR 28 -16.762 -14.359 -10.397 198 HG21 THR 28 HG21 THR 28 -18.093 -12.447 -12.264 199 HG22 THR 28 HG22 THR 28 -18.816 -13.472 -13.504 200 HG23 THR 28 HG23 THR 28 -17.071 -13.492 -13.250 201 H ALA 29 H ALA 29 -19.817 -14.109 -9.216 202 HA ALA 29 HA ALA 29 -19.206 -16.418 -7.777 203 HB1 ALA 29 HB1 ALA 29 -19.346 -15.048 -6.031 204 HB2 ALA 29 HB2 ALA 29 -19.799 -13.777 -7.167 205 HB3 ALA 29 HB3 ALA 29 -21.049 -14.711 -6.345 206 H ALA 30 H ALA 30 -22.200 -15.354 -9.199 207 HA ALA 30 HA ALA 30 -24.040 -16.864 -7.750 208 HB1 ALA 30 HB1 ALA 30 -23.976 -15.569 -10.388 209 HB2 ALA 30 HB2 ALA 30 -25.136 -16.888 -10.223 210 HB3 ALA 30 HB3 ALA 30 -25.202 -15.512 -9.121 211 H LYS 31 H LYS 31 -21.900 -17.779 -10.382 212 HA LYS 31 HA LYS 31 -23.030 -20.471 -10.457 213 HB2 LYS 31 HB2 LYS 31 -21.658 -18.780 -12.331 214 HB3 LYS 31 HB3 LYS 31 -20.781 -20.294 -12.159 215 HG2 LYS 31 HG2 LYS 31 -22.663 -21.566 -12.827 216 HG3 LYS 31 HG3 LYS 31 -23.734 -20.168 -12.704 217 HD2 LYS 31 HD2 LYS 31 -23.206 -20.648 -15.033 218 HD3 LYS 31 HD3 LYS 31 -22.529 -19.091 -14.548 219 HE2 LYS 31 HE2 LYS 31 -20.609 -21.126 -14.014 220 HE3 LYS 31 HE3 LYS 31 -21.193 -21.327 -15.665 221 HZ1 LYS 31 HZ1 LYS 31 -19.900 -18.953 -14.464 222 HZ2 LYS 31 HZ2 LYS 31 -20.763 -18.864 -15.916 223 HZ3 LYS 31 HZ3 LYS 31 -19.396 -19.854 -15.804 224 H SER 32 H SER 32 -20.283 -18.729 -9.265 225 HA SER 32 HA SER 32 -18.800 -21.180 -8.711 226 HB2 SER 32 HB2 SER 32 -17.951 -18.680 -9.413 227 HB3 SER 32 HB3 SER 32 -17.746 -18.635 -7.662 228 HG SER 32 HG SER 32 -15.921 -19.467 -8.921 229 H HIS 33 H HIS 33 -17.612 -20.950 -6.416 230 HA HIS 33 HA HIS 33 -19.616 -20.271 -4.382 231 HB2 HIS 33 HB2 HIS 33 -18.873 -22.418 -3.182 232 HB3 HIS 33 HB3 HIS 33 -19.961 -22.591 -4.556 233 HD1 HIS 33 HD1 HIS 33 -18.781 -23.350 -6.851 234 HD2 HIS 33 HD2 HIS 33 -16.529 -23.803 -3.389 235 HE1 HIS 33 HE1 HIS 33 -16.926 -24.935 -7.458 236 HA PRO 34 HA PRO 34 -16.292 -18.506 -2.127 237 HB2 PRO 34 HB2 PRO 34 -17.041 -18.997 0.436 238 HB3 PRO 34 HB3 PRO 34 -17.850 -17.807 -0.590 239 HG2 PRO 34 HG2 PRO 34 -18.663 -20.614 0.058 240 HG3 PRO 34 HG3 PRO 34 -19.661 -19.150 -0.022 241 HD2 PRO 34 HD2 PRO 34 -19.571 -20.963 -2.031 242 HD3 PRO 34 HD3 PRO 34 -19.815 -19.228 -2.320 243 H ILE 35 H ILE 35 -15.006 -19.119 0.096 244 HA ILE 35 HA ILE 35 -13.971 -21.843 -0.348 245 HB ILE 35 HB ILE 35 -12.458 -19.411 0.609 246 HG12 ILE 35 HG12 ILE 35 -12.191 -20.982 -1.962 247 HG13 ILE 35 HG13 ILE 35 -13.013 -19.433 -1.819 248 HG21 ILE 35 HG21 ILE 35 -11.600 -21.371 1.695 249 HG22 ILE 35 HG22 ILE 35 -11.568 -22.255 0.170 250 HG23 ILE 35 HG23 ILE 35 -10.473 -20.897 0.424 251 HD11 ILE 35 HD11 ILE 35 -10.320 -19.887 -2.373 252 HD12 ILE 35 HD12 ILE 35 -11.103 -18.342 -2.037 253 HD13 ILE 35 HD13 ILE 35 -10.366 -19.262 -0.725 254 H HIS 36 H HIS 36 -14.112 -23.212 1.301 255 HA HIS 36 HA HIS 36 -14.199 -22.158 4.037 256 HB2 HIS 36 HB2 HIS 36 -16.471 -23.041 2.753 257 HB3 HIS 36 HB3 HIS 36 -15.945 -24.475 3.629 258 HD1 HIS 36 HD1 HIS 36 -15.601 -24.097 6.290 259 HD2 HIS 36 HD2 HIS 36 -17.806 -21.215 4.267 260 HE1 HIS 36 HE1 HIS 36 -16.864 -22.845 8.068 261 H GLY 37 H GLY 37 -13.601 -23.697 5.675 262 HA2 GLY 37 HA2 GLY 37 -12.166 -25.283 6.512 263 HA3 GLY 37 HA3 GLY 37 -12.849 -26.333 5.280 264 H LYS 38 H LYS 38 -10.992 -23.400 4.685 265 HA LYS 38 HA LYS 38 -8.791 -25.065 3.659 266 HB2 LYS 38 HB2 LYS 38 -10.371 -22.965 2.299 267 HB3 LYS 38 HB3 LYS 38 -8.632 -22.904 2.043 268 HG2 LYS 38 HG2 LYS 38 -8.948 -25.465 1.538 269 HG3 LYS 38 HG3 LYS 38 -10.606 -24.960 1.200 270 HD2 LYS 38 HD2 LYS 38 -9.959 -23.585 -0.561 271 HD3 LYS 38 HD3 LYS 38 -8.290 -23.481 0.006 272 HE2 LYS 38 HE2 LYS 38 -9.063 -26.212 -0.569 273 HE3 LYS 38 HE3 LYS 38 -9.281 -25.165 -1.971 274 HZ1 LYS 38 HZ1 LYS 38 -6.841 -26.012 -0.656 275 HZ2 LYS 38 HZ2 LYS 38 -6.878 -24.387 -1.124 276 HZ3 LYS 38 HZ3 LYS 38 -7.114 -25.604 -2.275 277 H THR 39 H THR 39 -6.772 -24.441 4.199 278 HA THR 39 HA THR 39 -6.319 -22.718 6.333 279 HB THR 39 HB THR 39 -4.134 -23.158 4.342 280 HG1 THR 39 HG1 THR 39 -5.275 -25.182 5.997 281 HG21 THR 39 HG21 THR 39 -4.431 -22.695 7.225 282 HG22 THR 39 HG22 THR 39 -3.090 -22.307 6.146 283 HG23 THR 39 HG23 THR 39 -3.250 -23.935 6.804 284 H ASP 40 H ASP 40 -5.591 -22.153 2.886 285 HA ASP 40 HA ASP 40 -6.473 -19.499 2.856 286 HB2 ASP 40 HB2 ASP 40 -4.046 -18.525 2.576 287 HB3 ASP 40 HB3 ASP 40 -4.758 -18.695 4.179 288 H VAL 41 H VAL 41 -6.382 -18.603 0.805 289 HA VAL 41 HA VAL 41 -5.267 -20.370 -1.271 290 HB VAL 41 HB VAL 41 -6.931 -19.185 -2.789 291 HG11 VAL 41 HG11 VAL 41 -7.138 -21.450 -1.274 292 HG12 VAL 41 HG12 VAL 41 -8.614 -20.581 -0.847 293 HG13 VAL 41 HG13 VAL 41 -8.271 -20.962 -2.535 294 HG21 VAL 41 HG21 VAL 41 -8.520 -18.567 -0.352 295 HG22 VAL 41 HG22 VAL 41 -7.274 -17.423 -0.850 296 HG23 VAL 41 HG23 VAL 41 -8.582 -17.838 -1.957 297 HA PRO 42 HA PRO 42 -2.578 -17.207 -2.697 298 HB2 PRO 42 HB2 PRO 42 -2.578 -17.670 -5.371 299 HB3 PRO 42 HB3 PRO 42 -1.773 -18.735 -4.212 300 HG2 PRO 42 HG2 PRO 42 -4.447 -19.039 -5.523 301 HG3 PRO 42 HG3 PRO 42 -3.192 -20.260 -5.246 302 HD2 PRO 42 HD2 PRO 42 -5.380 -20.035 -3.666 303 HD3 PRO 42 HD3 PRO 42 -3.806 -20.574 -3.046 304 H VAL 43 H VAL 43 -2.485 -15.196 -3.766 305 HA VAL 43 HA VAL 43 -4.767 -13.649 -3.780 306 HB VAL 43 HB VAL 43 -2.632 -12.575 -3.745 307 HG11 VAL 43 HG11 VAL 43 -0.929 -13.321 -4.956 308 HG12 VAL 43 HG12 VAL 43 -2.015 -14.400 -5.833 309 HG13 VAL 43 HG13 VAL 43 -1.727 -12.764 -6.426 310 HG21 VAL 43 HG21 VAL 43 -3.338 -11.599 -6.403 311 HG22 VAL 43 HG22 VAL 43 -4.720 -11.738 -5.316 312 HG23 VAL 43 HG23 VAL 43 -3.329 -10.759 -4.852 313 H SER 44 H SER 44 -3.426 -15.615 -6.348 314 HA SER 44 HA SER 44 -4.788 -14.592 -8.544 315 HB2 SER 44 HB2 SER 44 -3.296 -16.972 -7.919 316 HB3 SER 44 HB3 SER 44 -4.718 -17.397 -8.872 317 HG SER 44 HG SER 44 -2.786 -16.801 -10.092 318 H TYR 45 H TYR 45 -5.900 -16.665 -5.962 319 HA TYR 45 HA TYR 45 -8.336 -17.445 -7.239 320 HB2 TYR 45 HB2 TYR 45 -7.035 -18.517 -5.210 321 HB3 TYR 45 HB3 TYR 45 -8.040 -17.427 -4.262 322 HD1 TYR 45 HD1 TYR 45 -10.510 -17.669 -4.312 323 HD2 TYR 45 HD2 TYR 45 -7.946 -20.476 -6.222 324 HE1 TYR 45 HE1 TYR 45 -12.363 -19.283 -4.413 325 HE2 TYR 45 HE2 TYR 45 -9.792 -22.098 -6.330 326 HH TYR 45 HH TYR 45 -13.056 -21.238 -5.296 327 H GLY 46 H GLY 46 -7.528 -15.087 -4.695 328 HA2 GLY 46 HA2 GLY 46 -10.153 -14.103 -4.359 329 HA3 GLY 46 HA3 GLY 46 -8.678 -13.268 -3.896 330 H THR 47 H THR 47 -7.508 -13.081 -6.470 331 HA THR 47 HA THR 47 -8.583 -10.680 -7.381 332 HB THR 47 HB THR 47 -7.263 -11.251 -9.539 333 HG1 THR 47 HG1 THR 47 -6.141 -13.237 -7.848 334 HG21 THR 47 HG21 THR 47 -5.345 -10.391 -8.584 335 HG22 THR 47 HG22 THR 47 -5.531 -11.335 -7.106 336 HG23 THR 47 HG23 THR 47 -6.558 -9.930 -7.390 337 H SER 48 H SER 48 -9.278 -13.984 -8.317 338 HA SER 48 HA SER 48 -10.638 -13.489 -10.718 339 HB2 SER 48 HB2 SER 48 -9.961 -15.734 -9.324 340 HB3 SER 48 HB3 SER 48 -11.705 -15.687 -9.064 341 HG SER 48 HG SER 48 -10.823 -16.788 -11.037 342 H LEU 49 H LEU 49 -11.769 -13.548 -7.370 343 HA LEU 49 HA LEU 49 -14.514 -13.120 -8.058 344 HB2 LEU 49 HB2 LEU 49 -13.442 -14.141 -5.906 345 HB3 LEU 49 HB3 LEU 49 -13.379 -12.462 -5.375 346 HG LEU 49 HG LEU 49 -16.010 -13.149 -6.356 347 HD11 LEU 49 HD11 LEU 49 -15.258 -15.407 -5.585 348 HD12 LEU 49 HD12 LEU 49 -16.658 -14.760 -4.729 349 HD13 LEU 49 HD13 LEU 49 -15.067 -14.723 -3.970 350 HD21 LEU 49 HD21 LEU 49 -15.477 -12.544 -3.509 351 HD22 LEU 49 HD22 LEU 49 -16.669 -11.858 -4.613 352 HD23 LEU 49 HD23 LEU 49 -14.988 -11.329 -4.690 353 H LEU 50 H LEU 50 -11.797 -11.084 -7.166 354 HA LEU 50 HA LEU 50 -13.285 -8.702 -6.761 355 HB2 LEU 50 HB2 LEU 50 -10.859 -9.300 -6.080 356 HB3 LEU 50 HB3 LEU 50 -10.442 -8.737 -7.697 357 HG LEU 50 HG LEU 50 -11.202 -6.524 -7.196 358 HD11 LEU 50 HD11 LEU 50 -12.936 -6.295 -5.824 359 HD12 LEU 50 HD12 LEU 50 -11.795 -6.469 -4.491 360 HD13 LEU 50 HD13 LEU 50 -12.664 -7.879 -5.097 361 HD21 LEU 50 HD21 LEU 50 -9.725 -7.301 -4.713 362 HD22 LEU 50 HD22 LEU 50 -9.534 -5.871 -5.728 363 HD23 LEU 50 HD23 LEU 50 -8.954 -7.439 -6.293 364 H ALA 51 H ALA 51 -11.390 -9.897 -9.526 365 HA ALA 51 HA ALA 51 -11.996 -7.722 -11.231 366 HB1 ALA 51 HB1 ALA 51 -10.335 -8.713 -12.323 367 HB2 ALA 51 HB2 ALA 51 -10.544 -10.203 -11.401 368 HB3 ALA 51 HB3 ALA 51 -11.492 -9.930 -12.863 369 H ALA 52 H ALA 52 -13.587 -10.782 -10.580 370 HA ALA 52 HA ALA 52 -15.336 -10.873 -12.756 371 HB1 ALA 52 HB1 ALA 52 -15.189 -12.111 -10.100 372 HB2 ALA 52 HB2 ALA 52 -16.813 -12.004 -10.781 373 HB3 ALA 52 HB3 ALA 52 -15.535 -12.830 -11.673 374 H ALA 53 H ALA 53 -15.788 -9.419 -9.541 375 HA ALA 53 HA ALA 53 -18.391 -8.409 -10.128 376 HB1 ALA 53 HB1 ALA 53 -17.437 -6.889 -8.034 377 HB2 ALA 53 HB2 ALA 53 -18.330 -8.404 -7.900 378 HB3 ALA 53 HB3 ALA 53 -16.567 -8.414 -7.867 379 H ARG 54 H ARG 54 -15.128 -7.076 -10.235 380 HA ARG 54 HA ARG 54 -15.725 -4.384 -10.576 381 HB2 ARG 54 HB2 ARG 54 -13.468 -4.803 -10.261 382 HB3 ARG 54 HB3 ARG 54 -13.447 -6.128 -11.417 383 HG2 ARG 54 HG2 ARG 54 -13.177 -4.744 -13.214 384 HG3 ARG 54 HG3 ARG 54 -13.979 -3.384 -12.425 385 HD2 ARG 54 HD2 ARG 54 -12.050 -2.590 -11.638 386 HD3 ARG 54 HD3 ARG 54 -11.568 -4.173 -11.029 387 HE ARG 54 HE ARG 54 -11.243 -4.173 -13.803 388 HH11 ARG 54 HH11 ARG 54 -9.901 -2.628 -10.987 389 HH12 ARG 54 HH12 ARG 54 -8.334 -2.408 -11.693 390 HH21 ARG 54 HH21 ARG 54 -9.185 -3.889 -14.744 391 HH22 ARG 54 HH22 ARG 54 -7.928 -3.125 -13.830 392 H ASP 55 H ASP 55 -15.206 -6.851 -13.095 393 HA ASP 55 HA ASP 55 -15.860 -5.138 -15.253 394 HB2 ASP 55 HB2 ASP 55 -14.805 -7.679 -15.002 395 HB3 ASP 55 HB3 ASP 55 -16.383 -7.976 -15.727 396 H GLU 56 H GLU 56 -17.743 -7.350 -13.265 397 HA GLU 56 HA GLU 56 -20.096 -7.358 -14.801 398 HB2 GLU 56 HB2 GLU 56 -19.838 -8.999 -13.086 399 HB3 GLU 56 HB3 GLU 56 -19.618 -7.768 -11.851 400 HG2 GLU 56 HG2 GLU 56 -22.170 -7.851 -13.383 401 HG3 GLU 56 HG3 GLU 56 -21.891 -9.024 -12.097 402 H PHE 57 H PHE 57 -19.122 -5.317 -12.059 403 HA PHE 57 HA PHE 57 -21.460 -3.783 -11.914 404 HB2 PHE 57 HB2 PHE 57 -18.610 -3.124 -11.159 405 HB3 PHE 57 HB3 PHE 57 -19.977 -2.079 -10.787 406 HD1 PHE 57 HD1 PHE 57 -22.014 -4.099 -10.052 407 HD2 PHE 57 HD2 PHE 57 -17.882 -3.826 -9.065 408 HE1 PHE 57 HE1 PHE 57 -22.426 -5.372 -7.987 409 HE2 PHE 57 HE2 PHE 57 -18.288 -5.099 -6.999 410 HZ PHE 57 HZ PHE 57 -20.562 -5.875 -6.458 411 H ARG 58 H ARG 58 -18.670 -3.561 -14.000 412 HA ARG 58 HA ARG 58 -18.945 -0.952 -14.939 413 HB2 ARG 58 HB2 ARG 58 -17.017 -2.445 -15.415 414 HB3 ARG 58 HB3 ARG 58 -18.035 -3.366 -16.515 415 HG2 ARG 58 HG2 ARG 58 -18.343 -0.821 -17.454 416 HG3 ARG 58 HG3 ARG 58 -16.664 -0.821 -16.909 417 HD2 ARG 58 HD2 ARG 58 -17.908 -2.830 -18.784 418 HD3 ARG 58 HD3 ARG 58 -16.864 -1.491 -19.260 419 HE ARG 58 HE ARG 58 -15.478 -2.993 -17.376 420 HH11 ARG 58 HH11 ARG 58 -16.771 -3.391 -20.584 421 HH12 ARG 58 HH12 ARG 58 -15.579 -4.554 -21.061 422 HH21 ARG 58 HH21 ARG 58 -13.903 -4.523 -17.992 423 HH22 ARG 58 HH22 ARG 58 -13.949 -5.198 -19.586 424 H GLN 59 H GLN 59 -20.631 -3.898 -15.844 425 HA GLN 59 HA GLN 59 -21.941 -2.754 -18.117 426 HB2 GLN 59 HB2 GLN 59 -21.558 -5.165 -17.956 427 HB3 GLN 59 HB3 GLN 59 -22.582 -5.245 -16.528 428 HG2 GLN 59 HG2 GLN 59 -24.109 -4.016 -18.543 429 HG3 GLN 59 HG3 GLN 59 -23.308 -5.401 -19.283 430 HE21 GLN 59 HE21 GLN 59 -24.663 -4.785 -16.061 431 HE22 GLN 59 HE22 GLN 59 -25.702 -6.165 -16.047 432 H ALA 60 H ALA 60 -22.712 -3.167 -14.718 433 HA ALA 60 HA ALA 60 -25.445 -2.623 -14.774 434 HB1 ALA 60 HB1 ALA 60 -23.390 -2.024 -12.654 435 HB2 ALA 60 HB2 ALA 60 -25.131 -1.864 -12.418 436 HB3 ALA 60 HB3 ALA 60 -24.430 -3.444 -12.772 437 H ASP 61 H ASP 61 -22.705 -0.382 -14.440 438 HA ASP 61 HA ASP 61 -24.522 1.892 -14.684 439 HB2 ASP 61 HB2 ASP 61 -22.725 3.259 -13.956 440 HB3 ASP 61 HB3 ASP 61 -22.644 1.802 -12.970 441 H LYS 62 H LYS 62 -24.162 0.179 -16.955 442 HA LYS 62 HA LYS 62 -22.359 1.441 -18.794 443 HB2 LYS 62 HB2 LYS 62 -22.918 -0.926 -19.022 444 HB3 LYS 62 HB3 LYS 62 -24.612 -0.521 -19.263 445 HG2 LYS 62 HG2 LYS 62 -23.965 0.714 -21.318 446 HG3 LYS 62 HG3 LYS 62 -22.315 0.129 -21.096 447 HD2 LYS 62 HD2 LYS 62 -23.407 -2.215 -21.026 448 HD3 LYS 62 HD3 LYS 62 -24.795 -1.415 -21.767 449 HE2 LYS 62 HE2 LYS 62 -23.805 -1.643 -23.743 450 HE3 LYS 62 HE3 LYS 62 -22.541 -0.543 -23.194 451 HZ1 LYS 62 HZ1 LYS 62 -21.599 -2.612 -23.975 452 HZ2 LYS 62 HZ2 LYS 62 -22.536 -3.497 -22.880 453 HZ3 LYS 62 HZ3 LYS 62 -21.332 -2.453 -22.312 454 H LYS 63 H LYS 63 -25.717 1.779 -17.928 455 HA LYS 63 HA LYS 63 -26.510 3.270 -20.224 456 HB2 LYS 63 HB2 LYS 63 -28.210 2.166 -18.953 457 HB3 LYS 63 HB3 LYS 63 -27.709 2.968 -17.471 458 HG2 LYS 63 HG2 LYS 63 -28.485 4.784 -19.636 459 HG3 LYS 63 HG3 LYS 63 -29.781 3.748 -19.034 460 HD2 LYS 63 HD2 LYS 63 -28.005 5.415 -17.258 461 HD3 LYS 63 HD3 LYS 63 -29.570 5.958 -17.869 462 HE2 LYS 63 HE2 LYS 63 -29.416 3.329 -16.481 463 HE3 LYS 63 HE3 LYS 63 -29.335 4.798 -15.510 464 HZ1 LYS 63 HZ1 LYS 63 -31.450 5.453 -16.195 465 HZ2 LYS 63 HZ2 LYS 63 -31.614 3.792 -15.922 466 HZ3 LYS 63 HZ3 LYS 63 -31.478 4.379 -17.502 467 H LEU 64 H LEU 64 -24.830 4.042 -17.320 468 HA LEU 64 HA LEU 64 -25.361 6.891 -17.528 469 HB2 LEU 64 HB2 LEU 64 -23.295 5.740 -15.714 470 HB3 LEU 64 HB3 LEU 64 -24.357 7.124 -15.468 471 HG LEU 64 HG LEU 64 -25.265 4.248 -15.406 472 HD11 LEU 64 HD11 LEU 64 -23.632 5.005 -13.586 473 HD12 LEU 64 HD12 LEU 64 -25.161 4.291 -13.076 474 HD13 LEU 64 HD13 LEU 64 -24.945 6.040 -13.024 475 HD21 LEU 64 HD21 LEU 64 -26.684 6.662 -15.659 476 HD22 LEU 64 HD22 LEU 64 -26.911 6.119 -13.996 477 HD23 LEU 64 HD23 LEU 64 -27.331 5.053 -15.338 478 HA PRO 65 HA PRO 65 -21.850 7.961 -19.937 479 HB2 PRO 65 HB2 PRO 65 -21.218 10.385 -18.891 480 HB3 PRO 65 HB3 PRO 65 -22.639 10.119 -19.908 481 HG2 PRO 65 HG2 PRO 65 -22.450 10.287 -16.925 482 HG3 PRO 65 HG3 PRO 65 -23.657 10.998 -18.012 483 HD2 PRO 65 HD2 PRO 65 -24.117 8.728 -16.610 484 HD3 PRO 65 HD3 PRO 65 -24.827 9.022 -18.210 485 H ALA 66 H ALA 66 -19.542 8.536 -19.818 486 HA ALA 66 HA ALA 66 -18.177 6.975 -17.897 487 HB1 ALA 66 HB1 ALA 66 -16.142 8.254 -18.906 488 HB2 ALA 66 HB2 ALA 66 -17.045 7.108 -19.898 489 HB3 ALA 66 HB3 ALA 66 -17.332 8.840 -20.069 490 H LYS 67 H LYS 67 -18.951 10.379 -18.101 491 HA LYS 67 HA LYS 67 -17.144 11.260 -16.090 492 HB2 LYS 67 HB2 LYS 67 -18.262 13.350 -16.209 493 HB3 LYS 67 HB3 LYS 67 -18.264 12.701 -17.843 494 HG2 LYS 67 HG2 LYS 67 -20.614 11.753 -17.051 495 HG3 LYS 67 HG3 LYS 67 -20.514 13.147 -15.972 496 HD2 LYS 67 HD2 LYS 67 -20.231 13.225 -18.976 497 HD3 LYS 67 HD3 LYS 67 -21.670 13.694 -18.067 498 HE2 LYS 67 HE2 LYS 67 -20.194 15.362 -16.861 499 HE3 LYS 67 HE3 LYS 67 -18.963 15.010 -18.074 500 HZ1 LYS 67 HZ1 LYS 67 -21.642 16.199 -18.509 501 HZ2 LYS 67 HZ2 LYS 67 -20.677 15.624 -19.773 502 HZ3 LYS 67 HZ3 LYS 67 -20.134 16.905 -18.810 503 H ASP 68 H ASP 68 -20.348 9.895 -16.056 504 HA ASP 68 HA ASP 68 -20.701 10.511 -13.225 505 HB2 ASP 68 HB2 ASP 68 -22.511 9.205 -15.262 506 HB3 ASP 68 HB3 ASP 68 -22.930 9.382 -13.560 507 H LYS 69 H LYS 69 -18.577 8.727 -14.031 508 HA LYS 69 HA LYS 69 -19.157 6.556 -12.238 509 HB2 LYS 69 HB2 LYS 69 -18.904 4.736 -13.732 510 HB3 LYS 69 HB3 LYS 69 -20.070 5.815 -14.486 511 HG2 LYS 69 HG2 LYS 69 -18.362 6.678 -15.967 512 HG3 LYS 69 HG3 LYS 69 -17.140 5.684 -15.172 513 HD2 LYS 69 HD2 LYS 69 -17.714 4.495 -17.114 514 HD3 LYS 69 HD3 LYS 69 -18.592 3.686 -15.814 515 HE2 LYS 69 HE2 LYS 69 -20.594 5.030 -16.405 516 HE3 LYS 69 HE3 LYS 69 -19.701 5.694 -17.772 517 HZ1 LYS 69 HZ1 LYS 69 -19.377 3.072 -18.158 518 HZ2 LYS 69 HZ2 LYS 69 -20.623 3.978 -18.855 519 HZ3 LYS 69 HZ3 LYS 69 -20.912 3.084 -17.448 520 H LYS 70 H LYS 70 -17.335 5.771 -11.296 521 HA LYS 70 HA LYS 70 -14.872 7.166 -11.831 522 HB2 LYS 70 HB2 LYS 70 -15.965 6.196 -9.562 523 HB3 LYS 70 HB3 LYS 70 -14.883 4.868 -9.961 524 HG2 LYS 70 HG2 LYS 70 -14.121 7.751 -9.545 525 HG3 LYS 70 HG3 LYS 70 -13.777 6.394 -8.469 526 HD2 LYS 70 HD2 LYS 70 -11.799 6.356 -9.546 527 HD3 LYS 70 HD3 LYS 70 -12.705 5.492 -10.790 528 HE2 LYS 70 HE2 LYS 70 -12.033 7.092 -12.191 529 HE3 LYS 70 HE3 LYS 70 -13.190 8.142 -11.374 530 HZ1 LYS 70 HZ1 LYS 70 -11.028 9.177 -11.457 531 HZ2 LYS 70 HZ2 LYS 70 -10.313 7.847 -10.696 532 HZ3 LYS 70 HZ3 LYS 70 -11.416 8.813 -9.851 533 H SER 71 H SER 71 -13.499 6.548 -13.353 534 HA SER 71 HA SER 71 -12.136 5.245 -14.635 535 HB2 SER 71 HB2 SER 71 -12.562 3.680 -12.271 536 HB3 SER 71 HB3 SER 71 -12.556 2.609 -13.672 537 HG SER 71 HG SER 71 -10.520 4.221 -12.644 538 H ASP 72 H ASP 72 -14.619 2.836 -13.827 539 HA ASP 72 HA ASP 72 -15.960 3.151 -16.351 540 HB2 ASP 72 HB2 ASP 72 -13.748 1.398 -16.254 541 HB3 ASP 72 HB3 ASP 72 -15.187 0.382 -16.266 542 H MET 73 H MET 73 -16.512 3.098 -13.443 543 HA MET 73 HA MET 73 -18.834 1.367 -13.572 544 HB2 MET 73 HB2 MET 73 -18.345 0.329 -11.366 545 HB3 MET 73 HB3 MET 73 -17.223 -0.160 -12.629 546 HG2 MET 73 HG2 MET 73 -15.900 1.949 -11.600 547 HG3 MET 73 HG3 MET 73 -16.757 1.378 -10.170 548 HE1 MET 73 HE1 MET 73 -16.656 -1.947 -11.544 549 HE2 MET 73 HE2 MET 73 -15.622 -2.423 -10.197 550 HE3 MET 73 HE3 MET 73 -16.987 -1.340 -9.921 551 H SER 74 H SER 74 -20.443 1.884 -12.009 552 HA SER 74 HA SER 74 -20.636 4.630 -11.419 553 HB2 SER 74 HB2 SER 74 -22.677 3.469 -11.710 554 HB3 SER 74 HB3 SER 74 -22.232 2.226 -10.540 555 HG SER 74 HG SER 74 -22.899 3.467 -8.970 556 H ILE 75 H ILE 75 -20.334 5.794 -9.572 557 HA ILE 75 HA ILE 75 -18.347 5.129 -7.793 558 HB ILE 75 HB ILE 75 -20.684 6.983 -7.331 559 HG12 ILE 75 HG12 ILE 75 -18.508 8.556 -7.719 560 HG13 ILE 75 HG13 ILE 75 -18.097 7.189 -8.749 561 HG21 ILE 75 HG21 ILE 75 -18.342 6.292 -5.664 562 HG22 ILE 75 HG22 ILE 75 -18.760 8.001 -5.781 563 HG23 ILE 75 HG23 ILE 75 -19.950 6.840 -5.192 564 HD11 ILE 75 HD11 ILE 75 -19.837 7.577 -10.186 565 HD12 ILE 75 HD12 ILE 75 -20.802 8.410 -8.966 566 HD13 ILE 75 HD13 ILE 75 -19.418 9.219 -9.701 567 H ALA 76 H ALA 76 -21.777 4.423 -7.595 568 HA ALA 76 HA ALA 76 -21.799 3.576 -4.887 569 HB1 ALA 76 HB1 ALA 76 -23.816 2.208 -6.330 570 HB2 ALA 76 HB2 ALA 76 -23.980 3.615 -5.278 571 HB3 ALA 76 HB3 ALA 76 -23.680 3.833 -7.002 572 H HIS 77 H HIS 77 -21.311 1.899 -7.956 573 HA HIS 77 HA HIS 77 -21.195 -0.704 -6.757 574 HB2 HIS 77 HB2 HIS 77 -20.234 0.160 -9.491 575 HB3 HIS 77 HB3 HIS 77 -20.562 -1.489 -8.967 576 HD1 HIS 77 HD1 HIS 77 -21.996 -0.254 -11.409 577 HD2 HIS 77 HD2 HIS 77 -23.535 -0.293 -7.550 578 HE1 HIS 77 HE1 HIS 77 -24.487 -0.042 -11.677 579 H TYR 78 H TYR 78 -18.862 1.729 -7.762 580 HA TYR 78 HA TYR 78 -16.522 0.233 -7.624 581 HB2 TYR 78 HB2 TYR 78 -16.812 2.630 -8.435 582 HB3 TYR 78 HB3 TYR 78 -16.732 3.112 -6.744 583 HD1 TYR 78 HD1 TYR 78 -14.855 2.594 -9.662 584 HD2 TYR 78 HD2 TYR 78 -14.633 2.172 -5.434 585 HE1 TYR 78 HE1 TYR 78 -12.399 2.623 -9.794 586 HE2 TYR 78 HE2 TYR 78 -12.177 2.201 -5.554 587 HH TYR 78 HH TYR 78 -10.416 2.980 -7.048 588 H ASN 79 H ASN 79 -18.406 1.749 -5.074 589 HA ASN 79 HA ASN 79 -16.519 1.445 -2.995 590 HB2 ASN 79 HB2 ASN 79 -19.410 2.055 -3.194 591 HB3 ASN 79 HB3 ASN 79 -18.867 1.391 -1.656 592 HD21 ASN 79 HD21 ASN 79 -19.579 4.162 -3.047 593 HD22 ASN 79 HD22 ASN 79 -18.455 5.225 -2.278 594 H ALA 80 H ALA 80 -18.968 -0.680 -4.335 595 HA ALA 80 HA ALA 80 -18.863 -2.637 -2.275 596 HB1 ALA 80 HB1 ALA 80 -20.639 -3.388 -3.368 597 HB2 ALA 80 HB2 ALA 80 -20.340 -2.217 -4.653 598 HB3 ALA 80 HB3 ALA 80 -19.626 -3.827 -4.743 599 H VAL 81 H VAL 81 -17.445 -2.528 -5.545 600 HA VAL 81 HA VAL 81 -16.010 -4.943 -5.314 601 HB VAL 81 HB VAL 81 -16.486 -3.867 -7.479 602 HG11 VAL 81 HG11 VAL 81 -14.342 -1.889 -6.716 603 HG12 VAL 81 HG12 VAL 81 -15.238 -1.948 -8.235 604 HG13 VAL 81 HG13 VAL 81 -16.070 -1.542 -6.734 605 HG21 VAL 81 HG21 VAL 81 -13.532 -4.213 -6.971 606 HG22 VAL 81 HG22 VAL 81 -14.675 -5.524 -7.261 607 HG23 VAL 81 HG23 VAL 81 -14.351 -4.341 -8.528 608 H HIS 82 H HIS 82 -15.188 -1.605 -4.547 609 HA HIS 82 HA HIS 82 -12.431 -2.078 -4.044 610 HB2 HIS 82 HB2 HIS 82 -13.515 0.164 -4.521 611 HB3 HIS 82 HB3 HIS 82 -14.108 0.139 -2.863 612 HD1 HIS 82 HD1 HIS 82 -10.754 -0.134 -4.646 613 HD2 HIS 82 HD2 HIS 82 -12.411 1.322 -1.125 614 HE1 HIS 82 HE1 HIS 82 -8.868 1.009 -3.437 615 H SER 83 H SER 83 -15.332 -2.166 -2.062 616 HA SER 83 HA SER 83 -14.120 -2.265 0.463 617 HB2 SER 83 HB2 SER 83 -16.528 -1.893 0.161 618 HB3 SER 83 HB3 SER 83 -16.715 -3.540 -0.443 619 HG SER 83 HG SER 83 -17.144 -3.053 1.903 620 H ALA 84 H ALA 84 -14.801 -4.785 -1.898 621 HA ALA 84 HA ALA 84 -14.119 -6.969 -0.202 622 HB1 ALA 84 HB1 ALA 84 -13.820 -8.077 -2.583 623 HB2 ALA 84 HB2 ALA 84 -15.415 -7.699 -1.932 624 HB3 ALA 84 HB3 ALA 84 -14.661 -6.616 -3.102 625 H ALA 85 H ALA 85 -12.362 -5.181 -2.718 626 HA ALA 85 HA ALA 85 -10.014 -6.668 -2.741 627 HB1 ALA 85 HB1 ALA 85 -8.953 -4.744 -3.721 628 HB2 ALA 85 HB2 ALA 85 -10.593 -4.879 -4.355 629 HB3 ALA 85 HB3 ALA 85 -10.224 -3.684 -3.112 630 H LYS 86 H LYS 86 -11.081 -4.153 -0.531 631 HA LYS 86 HA LYS 86 -8.640 -3.685 0.776 632 HB2 LYS 86 HB2 LYS 86 -11.323 -2.842 1.044 633 HB3 LYS 86 HB3 LYS 86 -10.841 -3.476 2.612 634 HG2 LYS 86 HG2 LYS 86 -8.688 -1.967 2.029 635 HG3 LYS 86 HG3 LYS 86 -9.949 -1.063 1.187 636 HD2 LYS 86 HD2 LYS 86 -9.877 -0.139 3.347 637 HD3 LYS 86 HD3 LYS 86 -11.278 -1.213 3.357 638 HE2 LYS 86 HE2 LYS 86 -9.606 -2.976 4.258 639 HE3 LYS 86 HE3 LYS 86 -8.597 -1.583 4.641 640 HZ1 LYS 86 HZ1 LYS 86 -9.881 -2.079 6.549 641 HZ2 LYS 86 HZ2 LYS 86 -11.317 -2.171 5.662 642 HZ3 LYS 86 HZ3 LYS 86 -10.550 -0.679 5.876 643 H THR 87 H THR 87 -11.192 -6.057 1.354 644 HA THR 87 HA THR 87 -10.002 -7.111 3.731 645 HB THR 87 HB THR 87 -11.941 -8.638 2.014 646 HG1 THR 87 HG1 THR 87 -13.425 -7.179 2.375 647 HG21 THR 87 HG21 THR 87 -10.851 -9.526 4.173 648 HG22 THR 87 HG22 THR 87 -12.602 -9.662 4.011 649 HG23 THR 87 HG23 THR 87 -11.904 -8.384 5.006 650 H MET 88 H MET 88 -9.909 -7.929 0.310 651 HA MET 88 HA MET 88 -8.515 -10.401 0.685 652 HB2 MET 88 HB2 MET 88 -9.208 -8.695 -1.678 653 HB3 MET 88 HB3 MET 88 -8.045 -10.002 -1.857 654 HG2 MET 88 HG2 MET 88 -9.741 -11.575 -0.989 655 HG3 MET 88 HG3 MET 88 -10.901 -10.248 -0.947 656 HE1 MET 88 HE1 MET 88 -10.870 -8.817 -4.150 657 HE2 MET 88 HE2 MET 88 -12.323 -9.813 -4.084 658 HE3 MET 88 HE3 MET 88 -11.728 -9.023 -2.623 659 H GLY 89 H GLY 89 -7.608 -7.086 0.518 660 HA2 GLY 89 HA2 GLY 89 -5.556 -6.096 0.865 661 HA3 GLY 89 HA3 GLY 89 -4.890 -7.698 1.144 662 H ILE 90 H ILE 90 -6.587 -6.904 -1.797 663 HA ILE 90 HA ILE 90 -4.041 -7.152 -3.253 664 HB ILE 90 HB ILE 90 -6.797 -7.558 -4.406 665 HG12 ILE 90 HG12 ILE 90 -4.885 -9.662 -3.368 666 HG13 ILE 90 HG13 ILE 90 -6.373 -9.167 -2.569 667 HG21 ILE 90 HG21 ILE 90 -4.174 -7.422 -5.512 668 HG22 ILE 90 HG22 ILE 90 -4.794 -9.060 -5.713 669 HG23 ILE 90 HG23 ILE 90 -5.710 -7.687 -6.335 670 HD11 ILE 90 HD11 ILE 90 -6.611 -11.264 -3.814 671 HD12 ILE 90 HD12 ILE 90 -7.680 -9.998 -4.419 672 HD13 ILE 90 HD13 ILE 90 -6.211 -10.410 -5.304 673 H ASP 91 H ASP 91 -3.506 -5.704 -4.864 674 HA ASP 91 HA ASP 91 -5.318 -3.502 -5.455 675 HB2 ASP 91 HB2 ASP 91 -2.514 -2.875 -4.553 676 HB3 ASP 91 HB3 ASP 91 -3.867 -1.768 -4.769 677 H THR 92 H THR 92 -4.277 -5.710 -6.985 678 HA THR 92 HA THR 92 -3.340 -4.246 -9.268 679 HB THR 92 HB THR 92 -1.495 -6.439 -8.359 680 HG1 THR 92 HG1 THR 92 -1.329 -4.909 -6.737 681 HG21 THR 92 HG21 THR 92 -1.696 -5.274 -10.752 682 HG22 THR 92 HG22 THR 92 -0.148 -5.788 -10.080 683 HG23 THR 92 HG23 THR 92 -0.640 -4.099 -9.971 684 H TRP 93 H TRP 93 -5.602 -5.882 -8.628 685 HA TRP 93 HA TRP 93 -5.208 -8.415 -9.976 686 HB2 TRP 93 HB2 TRP 93 -7.405 -8.954 -9.326 687 HB3 TRP 93 HB3 TRP 93 -6.779 -7.991 -7.990 688 HD1 TRP 93 HD1 TRP 93 -9.436 -7.984 -10.694 689 HE1 TRP 93 HE1 TRP 93 -11.003 -5.974 -10.331 690 HE3 TRP 93 HE3 TRP 93 -6.793 -5.537 -7.066 691 HZ2 TRP 93 HZ2 TRP 93 -11.105 -3.658 -8.721 692 HZ3 TRP 93 HZ3 TRP 93 -7.694 -3.431 -6.168 693 HH2 TRP 93 HH2 TRP 93 -9.805 -2.512 -6.981 Start of MODEL 2 1 H1 GLY 1 H GLY 1 2.233 4.734 -8.717 2 HA2 GLY 1 HA2 GLY 1 2.788 2.435 -10.453 3 HA3 GLY 1 HA3 GLY 1 3.942 3.673 -9.982 4 H ALA 2 H ALA 2 1.775 1.689 -7.988 5 HA ALA 2 HA ALA 2 4.153 0.478 -6.746 6 HB1 ALA 2 HB1 ALA 2 1.739 1.593 -5.329 7 HB2 ALA 2 HB2 ALA 2 2.983 0.608 -4.558 8 HB3 ALA 2 HB3 ALA 2 3.398 2.182 -5.235 9 H MET 3 H MET 3 2.705 -0.738 -8.779 10 HA MET 3 HA MET 3 0.628 -2.420 -7.884 11 HB2 MET 3 HB2 MET 3 1.119 -3.749 -9.921 12 HB3 MET 3 HB3 MET 3 0.956 -2.028 -10.245 13 HG2 MET 3 HG2 MET 3 2.907 -2.083 -11.275 14 HG3 MET 3 HG3 MET 3 3.673 -2.456 -9.732 15 HE1 MET 3 HE1 MET 3 3.552 -3.005 -12.995 16 HE2 MET 3 HE2 MET 3 4.998 -3.994 -12.788 17 HE3 MET 3 HE3 MET 3 3.521 -4.714 -13.431 18 H ALA 4 H ALA 4 0.708 -4.059 -6.508 19 HA ALA 4 HA ALA 4 2.659 -6.106 -6.616 20 HB1 ALA 4 HB1 ALA 4 3.459 -3.855 -5.140 21 HB2 ALA 4 HB2 ALA 4 3.041 -5.099 -3.962 22 HB3 ALA 4 HB3 ALA 4 4.239 -5.435 -5.211 23 H ASN 5 H ASN 5 1.202 -7.689 -6.383 24 HA ASN 5 HA ASN 5 -0.966 -7.466 -4.477 25 HB2 ASN 5 HB2 ASN 5 -0.421 -10.023 -5.905 26 HB3 ASN 5 HB3 ASN 5 -1.954 -9.215 -5.590 27 HD21 ASN 5 HD21 ASN 5 -1.763 -6.824 -6.665 28 HD22 ASN 5 HD22 ASN 5 -1.430 -6.903 -8.359 29 HA PRO 6 HA PRO 6 0.819 -9.683 -1.137 30 HB2 PRO 6 HB2 PRO 6 -1.309 -11.089 -0.206 31 HB3 PRO 6 HB3 PRO 6 -1.148 -9.341 -0.001 32 HG2 PRO 6 HG2 PRO 6 -2.736 -10.872 -2.025 33 HG3 PRO 6 HG3 PRO 6 -3.197 -9.433 -1.096 34 HD2 PRO 6 HD2 PRO 6 -2.377 -9.302 -3.673 35 HD3 PRO 6 HD3 PRO 6 -2.060 -8.005 -2.503 36 H LYS 7 H LYS 7 1.089 -11.911 -0.202 37 HA LYS 7 HA LYS 7 1.728 -13.749 -2.327 38 HB2 LYS 7 HB2 LYS 7 2.017 -14.032 0.670 39 HB3 LYS 7 HB3 LYS 7 2.684 -15.137 -0.524 40 HG2 LYS 7 HG2 LYS 7 4.389 -13.758 -1.050 41 HG3 LYS 7 HG3 LYS 7 3.421 -12.298 -0.830 42 HD2 LYS 7 HD2 LYS 7 4.196 -13.969 1.531 43 HD3 LYS 7 HD3 LYS 7 5.343 -12.820 0.838 44 HE2 LYS 7 HE2 LYS 7 4.362 -11.197 1.993 45 HE3 LYS 7 HE3 LYS 7 2.885 -11.466 1.069 46 HZ1 LYS 7 HZ1 LYS 7 2.470 -11.622 3.436 47 HZ2 LYS 7 HZ2 LYS 7 3.628 -12.844 3.593 48 HZ3 LYS 7 HZ3 LYS 7 2.218 -13.126 2.702 49 H THR 8 H THR 8 -0.527 -13.649 0.397 50 HA THR 8 HA THR 8 -2.228 -15.575 -0.960 51 HB THR 8 HB THR 8 -2.423 -16.646 1.514 52 HG1 THR 8 HG1 THR 8 0.363 -16.168 1.174 53 HG21 THR 8 HG21 THR 8 -0.904 -18.462 0.650 54 HG22 THR 8 HG22 THR 8 -0.566 -17.420 -0.733 55 HG23 THR 8 HG23 THR 8 -2.208 -17.994 -0.441 56 H ILE 9 H ILE 9 -4.388 -15.508 -0.297 57 HA ILE 9 HA ILE 9 -5.049 -13.272 1.507 58 HB ILE 9 HB ILE 9 -7.211 -13.134 0.231 59 HG12 ILE 9 HG12 ILE 9 -6.119 -14.324 -2.184 60 HG13 ILE 9 HG13 ILE 9 -6.299 -15.517 -0.903 61 HG21 ILE 9 HG21 ILE 9 -4.937 -11.835 -0.163 62 HG22 ILE 9 HG22 ILE 9 -5.037 -12.639 -1.729 63 HG23 ILE 9 HG23 ILE 9 -6.344 -11.582 -1.195 64 HD11 ILE 9 HD11 ILE 9 -8.257 -15.296 -2.427 65 HD12 ILE 9 HD12 ILE 9 -8.626 -15.072 -0.717 66 HD13 ILE 9 HD13 ILE 9 -8.502 -13.673 -1.783 67 H LYS 10 H LYS 10 -6.185 -13.735 3.272 68 HA LYS 10 HA LYS 10 -6.779 -16.324 4.090 69 HB2 LYS 10 HB2 LYS 10 -7.943 -13.689 5.002 70 HB3 LYS 10 HB3 LYS 10 -8.217 -15.218 5.827 71 HG2 LYS 10 HG2 LYS 10 -5.453 -14.165 5.330 72 HG3 LYS 10 HG3 LYS 10 -6.399 -13.689 6.742 73 HD2 LYS 10 HD2 LYS 10 -5.976 -16.578 6.051 74 HD3 LYS 10 HD3 LYS 10 -4.774 -15.671 6.972 75 HE2 LYS 10 HE2 LYS 10 -5.951 -16.012 8.823 76 HE3 LYS 10 HE3 LYS 10 -7.306 -15.133 8.115 77 HZ1 LYS 10 HZ1 LYS 10 -6.795 -18.024 7.684 78 HZ2 LYS 10 HZ2 LYS 10 -8.160 -17.150 7.201 79 HZ3 LYS 10 HZ3 LYS 10 -7.862 -17.413 8.846 80 H ALA 11 H ALA 11 -8.571 -17.608 4.036 81 HA ALA 11 HA ALA 11 -10.324 -17.473 1.899 82 HB1 ALA 11 HB1 ALA 11 -9.765 -19.386 3.625 83 HB2 ALA 11 HB2 ALA 11 -11.247 -18.812 4.389 84 HB3 ALA 11 HB3 ALA 11 -11.278 -19.380 2.719 85 H ALA 12 H ALA 12 -10.714 -16.248 5.185 86 HA ALA 12 HA ALA 12 -13.407 -15.621 5.182 87 HB1 ALA 12 HB1 ALA 12 -12.989 -14.519 7.104 88 HB2 ALA 12 HB2 ALA 12 -11.404 -15.276 6.946 89 HB3 ALA 12 HB3 ALA 12 -11.643 -13.610 6.418 90 H ALA 13 H ALA 13 -10.716 -13.897 3.718 91 HA ALA 13 HA ALA 13 -12.070 -11.499 3.119 92 HB1 ALA 13 HB1 ALA 13 -9.576 -11.912 3.059 93 HB2 ALA 13 HB2 ALA 13 -9.832 -12.665 1.484 94 HB3 ALA 13 HB3 ALA 13 -10.240 -10.967 1.726 95 H TYR 14 H TYR 14 -11.864 -14.586 1.463 96 HA TYR 14 HA TYR 14 -12.958 -13.732 -1.007 97 HB2 TYR 14 HB2 TYR 14 -11.730 -15.972 -0.282 98 HB3 TYR 14 HB3 TYR 14 -13.385 -16.525 -0.048 99 HD1 TYR 14 HD1 TYR 14 -11.327 -14.737 -2.609 100 HD2 TYR 14 HD2 TYR 14 -14.443 -17.529 -1.836 101 HE1 TYR 14 HE1 TYR 14 -11.507 -15.194 -5.019 102 HE2 TYR 14 HE2 TYR 14 -14.631 -17.995 -4.243 103 HH TYR 14 HH TYR 14 -12.523 -17.528 -6.378 104 H ASN 15 H ASN 15 -14.426 -15.432 1.760 105 HA ASN 15 HA ASN 15 -17.056 -15.389 0.729 106 HB2 ASN 15 HB2 ASN 15 -15.920 -15.788 3.489 107 HB3 ASN 15 HB3 ASN 15 -17.659 -15.763 3.210 108 HD21 ASN 15 HD21 ASN 15 -14.694 -17.294 2.024 109 HD22 ASN 15 HD22 ASN 15 -15.405 -18.842 1.733 110 H GLN 16 H GLN 16 -15.219 -13.146 2.706 111 HA GLN 16 HA GLN 16 -17.452 -11.492 3.380 112 HB2 GLN 16 HB2 GLN 16 -15.445 -11.557 4.780 113 HB3 GLN 16 HB3 GLN 16 -14.487 -10.907 3.456 114 HG2 GLN 16 HG2 GLN 16 -15.138 -9.262 5.224 115 HG3 GLN 16 HG3 GLN 16 -15.569 -8.811 3.575 116 HE21 GLN 16 HE21 GLN 16 -17.099 -10.947 5.955 117 HE22 GLN 16 HE22 GLN 16 -18.629 -10.145 5.948 118 H ALA 17 H ALA 17 -15.041 -11.527 0.829 119 HA ALA 17 HA ALA 17 -15.607 -8.949 -0.210 120 HB1 ALA 17 HB1 ALA 17 -14.150 -11.353 -1.191 121 HB2 ALA 17 HB2 ALA 17 -14.568 -10.083 -2.341 122 HB3 ALA 17 HB3 ALA 17 -13.571 -9.707 -0.936 123 H ARG 18 H ARG 18 -16.658 -12.206 -1.191 124 HA ARG 18 HA ARG 18 -18.338 -11.302 -3.289 125 HB2 ARG 18 HB2 ARG 18 -19.312 -13.615 -3.144 126 HB3 ARG 18 HB3 ARG 18 -17.567 -13.561 -3.354 127 HG2 ARG 18 HG2 ARG 18 -17.386 -14.914 -1.614 128 HG3 ARG 18 HG3 ARG 18 -17.974 -13.598 -0.594 129 HD2 ARG 18 HD2 ARG 18 -19.271 -15.668 -0.296 130 HD3 ARG 18 HD3 ARG 18 -20.257 -14.337 -0.899 131 HE ARG 18 HE ARG 18 -19.221 -15.986 -2.996 132 HH11 ARG 18 HH11 ARG 18 -21.753 -15.678 -0.626 133 HH12 ARG 18 HH12 ARG 18 -22.880 -16.651 -1.512 134 HH21 ARG 18 HH21 ARG 18 -20.695 -17.270 -4.172 135 HH22 ARG 18 HH22 ARG 18 -22.277 -17.557 -3.528 136 H SER 19 H SER 19 -18.829 -11.890 0.132 137 HA SER 19 HA SER 19 -21.615 -11.935 0.219 138 HB2 SER 19 HB2 SER 19 -20.761 -12.475 2.273 139 HB3 SER 19 HB3 SER 19 -19.449 -11.303 2.154 140 HG SER 19 HG SER 19 -20.950 -10.636 3.705 141 H THR 20 H THR 20 -19.407 -9.164 0.535 142 HA THR 20 HA THR 20 -21.322 -7.174 0.889 143 HB THR 20 HB THR 20 -18.680 -6.899 -0.558 144 HG1 THR 20 HG1 THR 20 -19.372 -6.746 2.201 145 HG21 THR 20 HG21 THR 20 -20.671 -4.950 0.511 146 HG22 THR 20 HG22 THR 20 -19.712 -4.882 -0.967 147 HG23 THR 20 HG23 THR 20 -18.956 -4.549 0.590 148 H LEU 21 H LEU 21 -19.944 -8.486 -2.103 149 HA LEU 21 HA LEU 21 -21.262 -6.724 -3.867 150 HB2 LEU 21 HB2 LEU 21 -20.456 -9.555 -4.486 151 HB3 LEU 21 HB3 LEU 21 -20.613 -8.206 -5.609 152 HG LEU 21 HG LEU 21 -18.582 -8.070 -3.422 153 HD11 LEU 21 HD11 LEU 21 -17.342 -9.025 -5.779 154 HD12 LEU 21 HD12 LEU 21 -18.656 -10.131 -5.378 155 HD13 LEU 21 HD13 LEU 21 -17.404 -9.781 -4.187 156 HD21 LEU 21 HD21 LEU 21 -18.767 -6.992 -6.232 157 HD22 LEU 21 HD22 LEU 21 -17.383 -6.774 -5.161 158 HD23 LEU 21 HD23 LEU 21 -18.949 -6.083 -4.732 159 H ALA 22 H ALA 22 -22.251 -9.669 -2.283 160 HA ALA 22 HA ALA 22 -24.390 -10.469 -3.844 161 HB1 ALA 22 HB1 ALA 22 -24.941 -10.637 -0.983 162 HB2 ALA 22 HB2 ALA 22 -24.783 -11.917 -2.186 163 HB3 ALA 22 HB3 ALA 22 -23.343 -11.235 -1.431 164 H ASP 23 H ASP 23 -24.098 -7.714 -1.754 165 HA ASP 23 HA ASP 23 -26.783 -7.144 -1.252 166 HB2 ASP 23 HB2 ASP 23 -24.370 -5.360 -1.554 167 HB3 ASP 23 HB3 ASP 23 -25.959 -4.726 -1.134 168 H ALA 24 H ALA 24 -24.799 -6.539 -4.082 169 HA ALA 24 HA ALA 24 -27.096 -5.266 -5.409 170 HB1 ALA 24 HB1 ALA 24 -24.162 -5.206 -6.097 171 HB2 ALA 24 HB2 ALA 24 -25.436 -4.480 -7.077 172 HB3 ALA 24 HB3 ALA 24 -25.131 -3.883 -5.446 173 H GLY 25 H GLY 25 -25.034 -8.044 -5.415 174 HA2 GLY 25 HA2 GLY 25 -26.229 -9.980 -6.532 175 HA3 GLY 25 HA3 GLY 25 -26.248 -8.944 -7.952 176 H SER 26 H SER 26 -25.050 -11.587 -7.602 177 HA SER 26 HA SER 26 -22.254 -10.877 -8.208 178 HB2 SER 26 HB2 SER 26 -22.171 -13.535 -7.449 179 HB3 SER 26 HB3 SER 26 -21.705 -12.164 -6.443 180 HG SER 26 HG SER 26 -24.243 -13.427 -6.548 181 H ARG 27 H ARG 27 -21.794 -11.205 -10.271 182 HA ARG 27 HA ARG 27 -23.478 -12.800 -11.960 183 HB2 ARG 27 HB2 ARG 27 -21.475 -10.773 -12.299 184 HB3 ARG 27 HB3 ARG 27 -21.085 -12.151 -13.320 185 HG2 ARG 27 HG2 ARG 27 -23.631 -11.975 -13.959 186 HG3 ARG 27 HG3 ARG 27 -23.411 -10.307 -13.425 187 HD2 ARG 27 HD2 ARG 27 -22.085 -9.782 -15.179 188 HD3 ARG 27 HD3 ARG 27 -21.326 -11.373 -15.216 189 HE ARG 27 HE ARG 27 -22.843 -12.001 -16.799 190 HH11 ARG 27 HH11 ARG 27 -24.066 -9.202 -15.130 191 HH12 ARG 27 HH12 ARG 27 -25.437 -9.017 -16.173 192 HH21 ARG 27 HH21 ARG 27 -24.644 -11.769 -18.180 193 HH22 ARG 27 HH22 ARG 27 -25.765 -10.478 -17.907 194 H THR 28 H THR 28 -19.983 -12.945 -11.246 195 HA THR 28 HA THR 28 -19.782 -15.624 -12.265 196 HB THR 28 HB THR 28 -17.475 -15.494 -11.866 197 HG1 THR 28 HG1 THR 28 -18.064 -13.447 -9.970 198 HG21 THR 28 HG21 THR 28 -17.890 -12.561 -12.118 199 HG22 THR 28 HG22 THR 28 -18.619 -13.603 -13.340 200 HG23 THR 28 HG23 THR 28 -16.877 -13.646 -13.070 201 H ALA 29 H ALA 29 -19.742 -14.113 -9.062 202 HA ALA 29 HA ALA 29 -19.151 -16.379 -7.542 203 HB1 ALA 29 HB1 ALA 29 -19.159 -14.791 -5.993 204 HB2 ALA 29 HB2 ALA 29 -20.049 -13.699 -7.055 205 HB3 ALA 29 HB3 ALA 29 -20.923 -14.827 -6.019 206 H ALA 30 H ALA 30 -22.117 -15.356 -9.057 207 HA ALA 30 HA ALA 30 -23.986 -16.830 -7.611 208 HB1 ALA 30 HB1 ALA 30 -25.117 -16.915 -10.009 209 HB2 ALA 30 HB2 ALA 30 -25.025 -15.425 -9.069 210 HB3 ALA 30 HB3 ALA 30 -23.863 -15.725 -10.361 211 H LYS 31 H LYS 31 -21.759 -17.823 -10.133 212 HA LYS 31 HA LYS 31 -22.864 -20.539 -10.082 213 HB2 LYS 31 HB2 LYS 31 -21.009 -19.112 -11.977 214 HB3 LYS 31 HB3 LYS 31 -21.209 -20.858 -12.017 215 HG2 LYS 31 HG2 LYS 31 -22.797 -20.366 -13.525 216 HG3 LYS 31 HG3 LYS 31 -23.786 -20.099 -12.087 217 HD2 LYS 31 HD2 LYS 31 -24.166 -18.163 -13.286 218 HD3 LYS 31 HD3 LYS 31 -22.841 -17.673 -12.228 219 HE2 LYS 31 HE2 LYS 31 -21.430 -17.387 -13.946 220 HE3 LYS 31 HE3 LYS 31 -21.953 -18.872 -14.739 221 HZ1 LYS 31 HZ1 LYS 31 -23.964 -17.627 -15.467 222 HZ2 LYS 31 HZ2 LYS 31 -22.519 -17.062 -16.140 223 HZ3 LYS 31 HZ3 LYS 31 -23.253 -16.210 -14.877 224 H SER 32 H SER 32 -20.114 -18.659 -9.133 225 HA SER 32 HA SER 32 -18.649 -21.095 -8.386 226 HB2 SER 32 HB2 SER 32 -17.792 -18.264 -8.918 227 HB3 SER 32 HB3 SER 32 -16.774 -19.339 -7.959 228 HG SER 32 HG SER 32 -16.213 -20.335 -9.718 229 H HIS 33 H HIS 33 -18.908 -21.746 -6.365 230 HA HIS 33 HA HIS 33 -19.975 -20.033 -4.331 231 HB2 HIS 33 HB2 HIS 33 -19.188 -22.898 -4.526 232 HB3 HIS 33 HB3 HIS 33 -19.269 -22.183 -2.919 233 HD1 HIS 33 HD1 HIS 33 -21.677 -21.200 -5.623 234 HD2 HIS 33 HD2 HIS 33 -21.575 -23.562 -2.207 235 HE1 HIS 33 HE1 HIS 33 -24.069 -21.828 -5.168 236 HA PRO 34 HA PRO 34 -16.340 -18.543 -2.381 237 HB2 PRO 34 HB2 PRO 34 -16.965 -18.732 0.255 238 HB3 PRO 34 HB3 PRO 34 -17.698 -17.539 -0.823 239 HG2 PRO 34 HG2 PRO 34 -18.786 -20.165 0.115 240 HG3 PRO 34 HG3 PRO 34 -19.610 -18.602 -0.035 241 HD2 PRO 34 HD2 PRO 34 -19.868 -20.568 -1.879 242 HD3 PRO 34 HD3 PRO 34 -19.928 -18.846 -2.305 243 H ILE 35 H ILE 35 -14.985 -19.126 -0.190 244 HA ILE 35 HA ILE 35 -14.187 -21.931 -0.569 245 HB ILE 35 HB ILE 35 -12.563 -19.667 0.596 246 HG12 ILE 35 HG12 ILE 35 -12.343 -20.983 -2.120 247 HG13 ILE 35 HG13 ILE 35 -13.060 -19.402 -1.828 248 HG21 ILE 35 HG21 ILE 35 -11.983 -21.923 1.423 249 HG22 ILE 35 HG22 ILE 35 -11.707 -22.433 -0.241 250 HG23 ILE 35 HG23 ILE 35 -10.691 -21.184 0.478 251 HD11 ILE 35 HD11 ILE 35 -10.422 -19.936 -2.438 252 HD12 ILE 35 HD12 ILE 35 -11.076 -18.415 -1.829 253 HD13 ILE 35 HD13 ILE 35 -10.404 -19.598 -0.707 254 H HIS 36 H HIS 36 -14.462 -23.338 1.032 255 HA HIS 36 HA HIS 36 -14.698 -22.335 3.784 256 HB2 HIS 36 HB2 HIS 36 -16.929 -22.952 2.550 257 HB3 HIS 36 HB3 HIS 36 -16.425 -24.608 2.873 258 HD1 HIS 36 HD1 HIS 36 -16.311 -25.338 5.385 259 HD2 HIS 36 HD2 HIS 36 -17.883 -21.547 4.740 260 HE1 HIS 36 HE1 HIS 36 -17.424 -24.696 7.546 261 H GLY 37 H GLY 37 -14.225 -23.917 5.433 262 HA2 GLY 37 HA2 GLY 37 -12.871 -25.531 6.347 263 HA3 GLY 37 HA3 GLY 37 -13.384 -26.532 4.997 264 H LYS 38 H LYS 38 -11.568 -23.529 4.732 265 HA LYS 38 HA LYS 38 -9.234 -25.092 3.840 266 HB2 LYS 38 HB2 LYS 38 -10.490 -22.644 2.621 267 HB3 LYS 38 HB3 LYS 38 -8.806 -23.053 2.321 268 HG2 LYS 38 HG2 LYS 38 -10.305 -25.395 1.870 269 HG3 LYS 38 HG3 LYS 38 -11.155 -24.072 1.070 270 HD2 LYS 38 HD2 LYS 38 -9.331 -23.564 -0.292 271 HD3 LYS 38 HD3 LYS 38 -8.192 -24.410 0.758 272 HE2 LYS 38 HE2 LYS 38 -10.350 -26.044 -0.427 273 HE3 LYS 38 HE3 LYS 38 -9.134 -25.429 -1.546 274 HZ1 LYS 38 HZ1 LYS 38 -7.962 -27.202 -0.922 275 HZ2 LYS 38 HZ2 LYS 38 -8.912 -27.487 0.448 276 HZ3 LYS 38 HZ3 LYS 38 -7.651 -26.362 0.514 277 H THR 39 H THR 39 -7.194 -23.723 3.836 278 HA THR 39 HA THR 39 -7.061 -22.307 6.395 279 HB THR 39 HB THR 39 -4.647 -23.005 4.757 280 HG1 THR 39 HG1 THR 39 -5.154 -25.045 4.945 281 HG21 THR 39 HG21 THR 39 -4.301 -23.545 7.488 282 HG22 THR 39 HG22 THR 39 -5.201 -22.031 7.409 283 HG23 THR 39 HG23 THR 39 -3.654 -22.182 6.576 284 H ASP 40 H ASP 40 -5.959 -21.940 3.030 285 HA ASP 40 HA ASP 40 -6.585 -19.209 2.883 286 HB2 ASP 40 HB2 ASP 40 -4.176 -18.366 2.748 287 HB3 ASP 40 HB3 ASP 40 -4.811 -18.700 4.357 288 H VAL 41 H VAL 41 -6.341 -18.402 0.812 289 HA VAL 41 HA VAL 41 -5.230 -20.297 -1.156 290 HB VAL 41 HB VAL 41 -6.850 -19.154 -2.771 291 HG11 VAL 41 HG11 VAL 41 -7.065 -21.401 -1.249 292 HG12 VAL 41 HG12 VAL 41 -8.554 -20.548 -0.836 293 HG13 VAL 41 HG13 VAL 41 -8.195 -20.933 -2.520 294 HG21 VAL 41 HG21 VAL 41 -8.529 -18.518 -0.401 295 HG22 VAL 41 HG22 VAL 41 -7.280 -17.365 -0.872 296 HG23 VAL 41 HG23 VAL 41 -8.542 -17.814 -2.019 297 HA PRO 42 HA PRO 42 -2.506 -17.190 -2.640 298 HB2 PRO 42 HB2 PRO 42 -2.440 -17.756 -5.295 299 HB3 PRO 42 HB3 PRO 42 -1.665 -18.775 -4.076 300 HG2 PRO 42 HG2 PRO 42 -4.306 -19.128 -5.441 301 HG3 PRO 42 HG3 PRO 42 -3.059 -20.338 -5.086 302 HD2 PRO 42 HD2 PRO 42 -5.286 -20.054 -3.572 303 HD3 PRO 42 HD3 PRO 42 -3.729 -20.568 -2.892 304 H VAL 43 H VAL 43 -2.363 -15.247 -3.859 305 HA VAL 43 HA VAL 43 -4.622 -13.668 -3.948 306 HB VAL 43 HB VAL 43 -2.452 -12.646 -3.987 307 HG11 VAL 43 HG11 VAL 43 -1.658 -12.996 -6.707 308 HG12 VAL 43 HG12 VAL 43 -0.784 -13.417 -5.233 309 HG13 VAL 43 HG13 VAL 43 -1.893 -14.578 -5.965 310 HG21 VAL 43 HG21 VAL 43 -3.332 -11.839 -6.686 311 HG22 VAL 43 HG22 VAL 43 -4.547 -11.748 -5.411 312 HG23 VAL 43 HG23 VAL 43 -3.031 -10.861 -5.250 313 H SER 44 H SER 44 -3.328 -15.802 -6.403 314 HA SER 44 HA SER 44 -4.687 -14.884 -8.648 315 HB2 SER 44 HB2 SER 44 -3.267 -16.522 -9.322 316 HB3 SER 44 HB3 SER 44 -3.436 -17.426 -7.818 317 HG SER 44 HG SER 44 -5.310 -17.356 -9.950 318 H TYR 45 H TYR 45 -5.802 -16.840 -5.967 319 HA TYR 45 HA TYR 45 -8.278 -17.590 -7.198 320 HB2 TYR 45 HB2 TYR 45 -6.954 -18.682 -5.192 321 HB3 TYR 45 HB3 TYR 45 -7.924 -17.572 -4.230 322 HD1 TYR 45 HD1 TYR 45 -10.471 -17.671 -4.527 323 HD2 TYR 45 HD2 TYR 45 -7.843 -20.726 -5.892 324 HE1 TYR 45 HE1 TYR 45 -12.354 -19.253 -4.593 325 HE2 TYR 45 HE2 TYR 45 -9.718 -22.316 -5.962 326 HH TYR 45 HH TYR 45 -11.884 -22.625 -5.614 327 H GLY 46 H GLY 46 -7.362 -15.247 -4.678 328 HA2 GLY 46 HA2 GLY 46 -9.948 -14.203 -4.272 329 HA3 GLY 46 HA3 GLY 46 -8.443 -13.389 -3.872 330 H THR 47 H THR 47 -7.376 -13.282 -6.509 331 HA THR 47 HA THR 47 -8.414 -10.859 -7.404 332 HB THR 47 HB THR 47 -7.219 -11.489 -9.610 333 HG1 THR 47 HG1 THR 47 -6.757 -13.560 -9.662 334 HG21 THR 47 HG21 THR 47 -6.216 -10.020 -7.967 335 HG22 THR 47 HG22 THR 47 -4.997 -11.146 -8.566 336 HG23 THR 47 HG23 THR 47 -5.732 -11.401 -6.984 337 H SER 48 H SER 48 -9.265 -14.149 -8.255 338 HA SER 48 HA SER 48 -10.694 -13.698 -10.603 339 HB2 SER 48 HB2 SER 48 -10.095 -15.912 -9.250 340 HB3 SER 48 HB3 SER 48 -11.745 -15.706 -8.662 341 HG SER 48 HG SER 48 -10.850 -16.069 -11.318 342 H LEU 49 H LEU 49 -11.753 -13.521 -7.229 343 HA LEU 49 HA LEU 49 -14.466 -12.897 -7.891 344 HB2 LEU 49 HB2 LEU 49 -13.284 -13.837 -5.676 345 HB3 LEU 49 HB3 LEU 49 -13.382 -12.130 -5.249 346 HG LEU 49 HG LEU 49 -15.921 -12.995 -6.243 347 HD11 LEU 49 HD11 LEU 49 -16.504 -14.677 -4.627 348 HD12 LEU 49 HD12 LEU 49 -14.883 -14.632 -3.935 349 HD13 LEU 49 HD13 LEU 49 -15.125 -15.241 -5.572 350 HD21 LEU 49 HD21 LEU 49 -15.026 -11.193 -4.484 351 HD22 LEU 49 HD22 LEU 49 -15.480 -12.477 -3.363 352 HD23 LEU 49 HD23 LEU 49 -16.680 -11.806 -4.470 353 H LEU 50 H LEU 50 -11.584 -11.050 -7.099 354 HA LEU 50 HA LEU 50 -12.824 -8.547 -6.725 355 HB2 LEU 50 HB2 LEU 50 -10.268 -9.534 -6.543 356 HB3 LEU 50 HB3 LEU 50 -10.166 -8.452 -7.931 357 HG LEU 50 HG LEU 50 -10.988 -7.723 -5.121 358 HD11 LEU 50 HD11 LEU 50 -8.932 -6.109 -5.775 359 HD12 LEU 50 HD12 LEU 50 -8.494 -7.560 -6.677 360 HD13 LEU 50 HD13 LEU 50 -8.746 -7.648 -4.934 361 HD21 LEU 50 HD21 LEU 50 -12.196 -6.121 -6.108 362 HD22 LEU 50 HD22 LEU 50 -11.461 -6.406 -7.685 363 HD23 LEU 50 HD23 LEU 50 -10.642 -5.386 -6.502 364 H ALA 51 H ALA 51 -11.246 -9.958 -9.588 365 HA ALA 51 HA ALA 51 -11.895 -7.780 -11.298 366 HB1 ALA 51 HB1 ALA 51 -11.504 -10.001 -12.925 367 HB2 ALA 51 HB2 ALA 51 -10.292 -8.814 -12.440 368 HB3 ALA 51 HB3 ALA 51 -10.496 -10.297 -11.508 369 H ALA 52 H ALA 52 -13.470 -10.806 -10.478 370 HA ALA 52 HA ALA 52 -15.343 -10.941 -12.543 371 HB1 ALA 52 HB1 ALA 52 -16.740 -12.043 -10.552 372 HB2 ALA 52 HB2 ALA 52 -15.394 -12.864 -11.345 373 HB3 ALA 52 HB3 ALA 52 -15.142 -12.042 -9.805 374 H ALA 53 H ALA 53 -15.586 -9.371 -9.362 375 HA ALA 53 HA ALA 53 -18.213 -8.361 -9.809 376 HB1 ALA 53 HB1 ALA 53 -17.980 -8.271 -7.593 377 HB2 ALA 53 HB2 ALA 53 -16.219 -8.257 -7.692 378 HB3 ALA 53 HB3 ALA 53 -17.124 -6.753 -7.862 379 H ARG 54 H ARG 54 -14.960 -7.008 -10.128 380 HA ARG 54 HA ARG 54 -15.625 -4.351 -10.607 381 HB2 ARG 54 HB2 ARG 54 -13.351 -4.723 -10.311 382 HB3 ARG 54 HB3 ARG 54 -13.327 -6.090 -11.417 383 HG2 ARG 54 HG2 ARG 54 -13.111 -4.774 -13.265 384 HG3 ARG 54 HG3 ARG 54 -13.949 -3.408 -12.526 385 HD2 ARG 54 HD2 ARG 54 -12.034 -2.510 -11.831 386 HD3 ARG 54 HD3 ARG 54 -11.512 -4.032 -11.109 387 HE ARG 54 HE ARG 54 -11.188 -4.212 -13.882 388 HH11 ARG 54 HH11 ARG 54 -9.873 -2.480 -11.163 389 HH12 ARG 54 HH12 ARG 54 -8.308 -2.284 -11.878 390 HH21 ARG 54 HH21 ARG 54 -9.130 -3.960 -14.835 391 HH22 ARG 54 HH22 ARG 54 -7.886 -3.125 -13.967 392 H ASP 55 H ASP 55 -15.079 -6.939 -12.997 393 HA ASP 55 HA ASP 55 -15.776 -5.403 -15.250 394 HB2 ASP 55 HB2 ASP 55 -14.571 -7.363 -15.710 395 HB3 ASP 55 HB3 ASP 55 -15.633 -8.359 -14.719 396 H GLU 56 H GLU 56 -17.684 -7.482 -13.125 397 HA GLU 56 HA GLU 56 -20.066 -7.471 -14.606 398 HB2 GLU 56 HB2 GLU 56 -19.673 -9.014 -12.749 399 HB3 GLU 56 HB3 GLU 56 -19.679 -7.672 -11.615 400 HG2 GLU 56 HG2 GLU 56 -22.055 -7.223 -12.517 401 HG3 GLU 56 HG3 GLU 56 -21.960 -8.875 -13.122 402 H PHE 57 H PHE 57 -19.000 -5.360 -11.950 403 HA PHE 57 HA PHE 57 -21.286 -3.747 -11.849 404 HB2 PHE 57 HB2 PHE 57 -18.412 -3.160 -11.131 405 HB3 PHE 57 HB3 PHE 57 -19.737 -2.050 -10.797 406 HD1 PHE 57 HD1 PHE 57 -21.844 -3.966 -9.979 407 HD2 PHE 57 HD2 PHE 57 -17.702 -3.801 -9.011 408 HE1 PHE 57 HE1 PHE 57 -22.295 -5.140 -7.864 409 HE2 PHE 57 HE2 PHE 57 -18.146 -4.975 -6.895 410 HZ PHE 57 HZ PHE 57 -20.445 -5.647 -6.319 411 H ARG 58 H ARG 58 -18.518 -3.704 -13.970 412 HA ARG 58 HA ARG 58 -18.699 -1.120 -14.997 413 HB2 ARG 58 HB2 ARG 58 -17.339 -3.554 -15.658 414 HB3 ARG 58 HB3 ARG 58 -17.995 -2.848 -17.129 415 HG2 ARG 58 HG2 ARG 58 -16.716 -0.930 -16.936 416 HG3 ARG 58 HG3 ARG 58 -16.458 -1.157 -15.205 417 HD2 ARG 58 HD2 ARG 58 -14.409 -1.778 -16.026 418 HD3 ARG 58 HD3 ARG 58 -15.233 -3.336 -15.989 419 HE ARG 58 HE ARG 58 -15.758 -2.458 -18.478 420 HH11 ARG 58 HH11 ARG 58 -12.810 -2.717 -16.645 421 HH12 ARG 58 HH12 ARG 58 -11.813 -2.978 -18.038 422 HH21 ARG 58 HH21 ARG 58 -14.457 -2.801 -20.319 423 HH22 ARG 58 HH22 ARG 58 -12.751 -3.025 -20.127 424 H GLN 59 H GLN 59 -20.449 -4.056 -15.873 425 HA GLN 59 HA GLN 59 -21.787 -2.866 -18.107 426 HB2 GLN 59 HB2 GLN 59 -21.464 -5.247 -18.105 427 HB3 GLN 59 HB3 GLN 59 -22.287 -5.410 -16.559 428 HG2 GLN 59 HG2 GLN 59 -23.951 -4.130 -18.558 429 HG3 GLN 59 HG3 GLN 59 -23.403 -5.729 -19.059 430 HE21 GLN 59 HE21 GLN 59 -25.404 -3.933 -16.919 431 HE22 GLN 59 HE22 GLN 59 -26.184 -5.279 -16.166 432 H ALA 60 H ALA 60 -22.493 -3.314 -14.702 433 HA ALA 60 HA ALA 60 -25.226 -2.798 -14.683 434 HB1 ALA 60 HB1 ALA 60 -25.029 -2.419 -12.382 435 HB2 ALA 60 HB2 ALA 60 -23.708 -3.525 -12.759 436 HB3 ALA 60 HB3 ALA 60 -23.382 -1.807 -12.533 437 H ASP 61 H ASP 61 -22.513 -0.513 -14.442 438 HA ASP 61 HA ASP 61 -24.374 1.729 -14.667 439 HB2 ASP 61 HB2 ASP 61 -22.589 3.134 -13.978 440 HB3 ASP 61 HB3 ASP 61 -22.474 1.688 -12.978 441 H LYS 62 H LYS 62 -24.015 0.003 -16.929 442 HA LYS 62 HA LYS 62 -22.266 1.302 -18.802 443 HB2 LYS 62 HB2 LYS 62 -22.766 -1.098 -18.970 444 HB3 LYS 62 HB3 LYS 62 -24.461 -0.729 -19.255 445 HG2 LYS 62 HG2 LYS 62 -23.757 -1.059 -21.394 446 HG3 LYS 62 HG3 LYS 62 -23.478 0.678 -21.248 447 HD2 LYS 62 HD2 LYS 62 -21.194 0.438 -21.138 448 HD3 LYS 62 HD3 LYS 62 -21.291 -1.199 -20.484 449 HE2 LYS 62 HE2 LYS 62 -20.495 -1.422 -22.697 450 HE3 LYS 62 HE3 LYS 62 -22.189 -1.907 -22.738 451 HZ1 LYS 62 HZ1 LYS 62 -22.732 -0.192 -24.050 452 HZ2 LYS 62 HZ2 LYS 62 -21.083 -0.149 -24.425 453 HZ3 LYS 62 HZ3 LYS 62 -21.712 0.898 -23.254 454 H LYS 63 H LYS 63 -25.668 1.441 -17.979 455 HA LYS 63 HA LYS 63 -26.475 2.947 -20.261 456 HB2 LYS 63 HB2 LYS 63 -28.145 1.699 -19.089 457 HB3 LYS 63 HB3 LYS 63 -27.748 2.481 -17.564 458 HG2 LYS 63 HG2 LYS 63 -28.565 4.313 -19.703 459 HG3 LYS 63 HG3 LYS 63 -29.812 3.182 -19.171 460 HD2 LYS 63 HD2 LYS 63 -28.193 4.851 -17.258 461 HD3 LYS 63 HD3 LYS 63 -29.720 5.400 -17.953 462 HE2 LYS 63 HE2 LYS 63 -29.505 2.764 -16.538 463 HE3 LYS 63 HE3 LYS 63 -29.763 4.262 -15.646 464 HZ1 LYS 63 HZ1 LYS 63 -31.518 3.777 -17.919 465 HZ2 LYS 63 HZ2 LYS 63 -31.863 4.464 -16.413 466 HZ3 LYS 63 HZ3 LYS 63 -31.746 2.783 -16.569 467 H LEU 64 H LEU 64 -24.953 3.730 -17.273 468 HA LEU 64 HA LEU 64 -25.676 6.534 -17.370 469 HB2 LEU 64 HB2 LEU 64 -23.513 5.448 -15.626 470 HB3 LEU 64 HB3 LEU 64 -24.655 6.753 -15.312 471 HG LEU 64 HG LEU 64 -25.374 3.824 -15.361 472 HD11 LEU 64 HD11 LEU 64 -25.029 3.680 -13.130 473 HD12 LEU 64 HD12 LEU 64 -25.391 5.382 -12.849 474 HD13 LEU 64 HD13 LEU 64 -23.815 4.909 -13.482 475 HD21 LEU 64 HD21 LEU 64 -27.491 4.479 -15.260 476 HD22 LEU 64 HD22 LEU 64 -26.958 6.138 -15.536 477 HD23 LEU 64 HD23 LEU 64 -27.141 5.532 -13.889 478 HA PRO 65 HA PRO 65 -22.286 7.992 -19.748 479 HB2 PRO 65 HB2 PRO 65 -21.836 10.406 -18.590 480 HB3 PRO 65 HB3 PRO 65 -23.242 10.077 -19.609 481 HG2 PRO 65 HG2 PRO 65 -23.034 10.117 -16.623 482 HG3 PRO 65 HG3 PRO 65 -24.306 10.782 -17.665 483 HD2 PRO 65 HD2 PRO 65 -24.570 8.417 -16.372 484 HD3 PRO 65 HD3 PRO 65 -25.319 8.731 -17.951 485 H ALA 66 H ALA 66 -20.028 8.620 -19.660 486 HA ALA 66 HA ALA 66 -18.551 7.142 -17.757 487 HB1 ALA 66 HB1 ALA 66 -16.572 8.106 -18.831 488 HB2 ALA 66 HB2 ALA 66 -17.732 7.509 -20.018 489 HB3 ALA 66 HB3 ALA 66 -17.603 9.240 -19.705 490 H LYS 67 H LYS 67 -19.515 10.493 -17.954 491 HA LYS 67 HA LYS 67 -17.704 11.503 -16.013 492 HB2 LYS 67 HB2 LYS 67 -18.976 13.506 -16.083 493 HB3 LYS 67 HB3 LYS 67 -19.001 12.854 -17.716 494 HG2 LYS 67 HG2 LYS 67 -21.239 11.737 -16.803 495 HG3 LYS 67 HG3 LYS 67 -21.195 13.159 -15.758 496 HD2 LYS 67 HD2 LYS 67 -20.896 13.314 -18.750 497 HD3 LYS 67 HD3 LYS 67 -22.458 13.417 -17.935 498 HE2 LYS 67 HE2 LYS 67 -20.800 15.202 -16.573 499 HE3 LYS 67 HE3 LYS 67 -20.422 15.434 -18.279 500 HZ1 LYS 67 HZ1 LYS 67 -22.642 15.964 -18.760 501 HZ2 LYS 67 HZ2 LYS 67 -22.289 16.819 -17.344 502 HZ3 LYS 67 HZ3 LYS 67 -23.204 15.398 -17.268 503 H ASP 68 H ASP 68 -20.791 9.903 -15.839 504 HA ASP 68 HA ASP 68 -21.069 10.505 -12.997 505 HB2 ASP 68 HB2 ASP 68 -22.859 9.056 -14.954 506 HB3 ASP 68 HB3 ASP 68 -23.217 9.204 -13.236 507 H LYS 69 H LYS 69 -18.855 8.877 -13.905 508 HA LYS 69 HA LYS 69 -19.171 6.692 -12.068 509 HB2 LYS 69 HB2 LYS 69 -18.709 4.894 -13.642 510 HB3 LYS 69 HB3 LYS 69 -20.187 5.733 -14.098 511 HG2 LYS 69 HG2 LYS 69 -19.108 6.841 -15.894 512 HG3 LYS 69 HG3 LYS 69 -17.513 6.325 -15.339 513 HD2 LYS 69 HD2 LYS 69 -17.922 4.834 -17.054 514 HD3 LYS 69 HD3 LYS 69 -18.486 3.927 -15.648 515 HE2 LYS 69 HE2 LYS 69 -20.764 4.468 -16.130 516 HE3 LYS 69 HE3 LYS 69 -20.285 5.604 -17.389 517 HZ1 LYS 69 HZ1 LYS 69 -20.915 2.964 -17.735 518 HZ2 LYS 69 HZ2 LYS 69 -19.229 2.997 -17.857 519 HZ3 LYS 69 HZ3 LYS 69 -20.169 3.972 -18.870 520 H LYS 70 H LYS 70 -17.237 6.003 -11.265 521 HA LYS 70 HA LYS 70 -14.910 7.559 -11.995 522 HB2 LYS 70 HB2 LYS 70 -15.327 7.235 -9.646 523 HB3 LYS 70 HB3 LYS 70 -15.388 5.489 -9.847 524 HG2 LYS 70 HG2 LYS 70 -13.289 6.240 -8.835 525 HG3 LYS 70 HG3 LYS 70 -13.032 5.431 -10.383 526 HD2 LYS 70 HD2 LYS 70 -11.633 7.401 -10.248 527 HD3 LYS 70 HD3 LYS 70 -12.878 7.640 -11.476 528 HE2 LYS 70 HE2 LYS 70 -13.883 9.297 -10.317 529 HE3 LYS 70 HE3 LYS 70 -13.587 8.528 -8.759 530 HZ1 LYS 70 HZ1 LYS 70 -11.249 9.559 -10.144 531 HZ2 LYS 70 HZ2 LYS 70 -11.639 9.601 -8.499 532 HZ3 LYS 70 HZ3 LYS 70 -12.332 10.720 -9.562 533 H SER 71 H SER 71 -13.523 6.943 -13.504 534 HA SER 71 HA SER 71 -12.150 5.651 -14.787 535 HB2 SER 71 HB2 SER 71 -12.455 4.142 -12.375 536 HB3 SER 71 HB3 SER 71 -12.482 3.028 -13.741 537 HG SER 71 HG SER 71 -10.541 5.032 -13.736 538 H ASP 72 H ASP 72 -14.558 3.207 -13.857 539 HA ASP 72 HA ASP 72 -15.971 3.421 -16.346 540 HB2 ASP 72 HB2 ASP 72 -13.965 1.242 -15.906 541 HB3 ASP 72 HB3 ASP 72 -15.434 0.890 -16.812 542 H MET 73 H MET 73 -16.392 3.362 -13.396 543 HA MET 73 HA MET 73 -18.681 1.583 -13.433 544 HB2 MET 73 HB2 MET 73 -18.074 0.545 -11.258 545 HB3 MET 73 HB3 MET 73 -16.999 0.085 -12.571 546 HG2 MET 73 HG2 MET 73 -15.702 2.242 -11.565 547 HG3 MET 73 HG3 MET 73 -16.450 1.580 -10.114 548 HE1 MET 73 HE1 MET 73 -16.347 -1.238 -9.773 549 HE2 MET 73 HE2 MET 73 -16.491 -1.530 -11.507 550 HE3 MET 73 HE3 MET 73 -15.143 -2.223 -10.604 551 H SER 74 H SER 74 -20.285 2.145 -11.944 552 HA SER 74 HA SER 74 -20.404 4.870 -11.238 553 HB2 SER 74 HB2 SER 74 -22.350 3.264 -11.677 554 HB3 SER 74 HB3 SER 74 -22.128 2.717 -10.015 555 HG SER 74 HG SER 74 -23.187 5.073 -10.978 556 H ILE 75 H ILE 75 -20.209 5.924 -9.290 557 HA ILE 75 HA ILE 75 -18.253 5.148 -7.512 558 HB ILE 75 HB ILE 75 -20.599 6.965 -6.946 559 HG12 ILE 75 HG12 ILE 75 -18.418 8.563 -7.310 560 HG13 ILE 75 HG13 ILE 75 -18.081 7.266 -8.451 561 HG21 ILE 75 HG21 ILE 75 -19.633 6.358 -4.864 562 HG22 ILE 75 HG22 ILE 75 -17.997 6.547 -5.493 563 HG23 ILE 75 HG23 ILE 75 -19.021 7.964 -5.261 564 HD11 ILE 75 HD11 ILE 75 -19.871 7.782 -9.773 565 HD12 ILE 75 HD12 ILE 75 -20.782 8.507 -8.447 566 HD13 ILE 75 HD13 ILE 75 -19.433 9.381 -9.172 567 H ALA 76 H ALA 76 -21.695 4.464 -7.431 568 HA ALA 76 HA ALA 76 -21.797 3.463 -4.784 569 HB1 ALA 76 HB1 ALA 76 -23.966 2.665 -5.318 570 HB2 ALA 76 HB2 ALA 76 -23.758 4.188 -6.185 571 HB3 ALA 76 HB3 ALA 76 -23.610 2.656 -7.046 572 H HIS 77 H HIS 77 -21.239 1.934 -7.923 573 HA HIS 77 HA HIS 77 -21.132 -0.721 -6.845 574 HB2 HIS 77 HB2 HIS 77 -20.094 0.249 -9.513 575 HB3 HIS 77 HB3 HIS 77 -20.487 -1.409 -9.069 576 HD1 HIS 77 HD1 HIS 77 -21.776 0.596 -11.347 577 HD2 HIS 77 HD2 HIS 77 -23.498 -0.807 -7.836 578 HE1 HIS 77 HE1 HIS 77 -24.259 0.739 -11.713 579 H TYR 78 H TYR 78 -18.800 1.781 -7.644 580 HA TYR 78 HA TYR 78 -16.447 0.306 -7.568 581 HB2 TYR 78 HB2 TYR 78 -16.798 2.782 -8.163 582 HB3 TYR 78 HB3 TYR 78 -16.658 3.089 -6.435 583 HD1 TYR 78 HD1 TYR 78 -14.521 1.978 -5.310 584 HD2 TYR 78 HD2 TYR 78 -14.884 2.913 -9.445 585 HE1 TYR 78 HE1 TYR 78 -12.070 2.015 -5.511 586 HE2 TYR 78 HE2 TYR 78 -12.434 2.952 -9.657 587 HH TYR 78 HH TYR 78 -10.489 2.911 -8.549 588 H ASN 79 H ASN 79 -18.401 1.595 -4.947 589 HA ASN 79 HA ASN 79 -16.558 1.160 -2.855 590 HB2 ASN 79 HB2 ASN 79 -19.477 1.675 -3.061 591 HB3 ASN 79 HB3 ASN 79 -18.902 0.961 -1.557 592 HD21 ASN 79 HD21 ASN 79 -19.287 3.792 -3.332 593 HD22 ASN 79 HD22 ASN 79 -18.391 4.855 -2.306 594 H ALA 80 H ALA 80 -18.886 -0.916 -4.448 595 HA ALA 80 HA ALA 80 -18.814 -3.026 -2.545 596 HB1 ALA 80 HB1 ALA 80 -20.594 -2.628 -4.295 597 HB2 ALA 80 HB2 ALA 80 -19.470 -3.321 -5.466 598 HB3 ALA 80 HB3 ALA 80 -20.046 -4.295 -4.113 599 H VAL 81 H VAL 81 -17.246 -2.624 -5.722 600 HA VAL 81 HA VAL 81 -15.725 -5.005 -5.559 601 HB VAL 81 HB VAL 81 -16.219 -3.793 -7.681 602 HG11 VAL 81 HG11 VAL 81 -15.764 -1.521 -6.833 603 HG12 VAL 81 HG12 VAL 81 -14.045 -1.912 -6.769 604 HG13 VAL 81 HG13 VAL 81 -14.885 -1.879 -8.319 605 HG21 VAL 81 HG21 VAL 81 -13.732 -3.962 -8.501 606 HG22 VAL 81 HG22 VAL 81 -13.474 -4.654 -6.900 607 HG23 VAL 81 HG23 VAL 81 -14.618 -5.406 -8.011 608 H HIS 82 H HIS 82 -15.102 -1.678 -4.604 609 HA HIS 82 HA HIS 82 -12.334 -2.015 -4.065 610 HB2 HIS 82 HB2 HIS 82 -13.231 0.202 -4.429 611 HB3 HIS 82 HB3 HIS 82 -14.324 0.028 -3.060 612 HD1 HIS 82 HD1 HIS 82 -13.533 1.302 -1.110 613 HD2 HIS 82 HD2 HIS 82 -10.367 -0.172 -3.361 614 HE1 HIS 82 HE1 HIS 82 -11.451 2.081 0.067 615 H SER 83 H SER 83 -15.258 -2.333 -2.125 616 HA SER 83 HA SER 83 -14.055 -2.560 0.396 617 HB2 SER 83 HB2 SER 83 -16.677 -3.370 -0.775 618 HB3 SER 83 HB3 SER 83 -16.223 -4.053 0.786 619 HG SER 83 HG SER 83 -16.370 -1.294 0.130 620 H ALA 84 H ALA 84 -14.668 -4.944 -2.120 621 HA ALA 84 HA ALA 84 -13.937 -7.212 -0.560 622 HB1 ALA 84 HB1 ALA 84 -14.242 -6.765 -3.516 623 HB2 ALA 84 HB2 ALA 84 -13.742 -8.316 -2.839 624 HB3 ALA 84 HB3 ALA 84 -15.315 -7.637 -2.420 625 H ALA 85 H ALA 85 -12.225 -5.314 -3.037 626 HA ALA 85 HA ALA 85 -9.835 -6.733 -3.057 627 HB1 ALA 85 HB1 ALA 85 -9.928 -3.750 -3.361 628 HB2 ALA 85 HB2 ALA 85 -8.889 -4.916 -4.182 629 HB3 ALA 85 HB3 ALA 85 -10.604 -4.827 -4.583 630 H LYS 86 H LYS 86 -10.986 -4.264 -0.840 631 HA LYS 86 HA LYS 86 -8.546 -3.751 0.474 632 HB2 LYS 86 HB2 LYS 86 -11.077 -2.724 0.614 633 HB3 LYS 86 HB3 LYS 86 -10.969 -3.600 2.135 634 HG2 LYS 86 HG2 LYS 86 -8.561 -2.135 1.780 635 HG3 LYS 86 HG3 LYS 86 -9.925 -1.054 1.487 636 HD2 LYS 86 HD2 LYS 86 -10.810 -1.406 3.627 637 HD3 LYS 86 HD3 LYS 86 -9.847 -2.863 3.882 638 HE2 LYS 86 HE2 LYS 86 -8.004 -0.810 3.408 639 HE3 LYS 86 HE3 LYS 86 -9.217 -0.117 4.484 640 HZ1 LYS 86 HZ1 LYS 86 -8.723 -2.594 5.521 641 HZ2 LYS 86 HZ2 LYS 86 -8.124 -1.127 6.114 642 HZ3 LYS 86 HZ3 LYS 86 -7.193 -2.050 5.046 643 H THR 87 H THR 87 -11.107 -6.115 1.059 644 HA THR 87 HA THR 87 -10.013 -7.132 3.476 645 HB THR 87 HB THR 87 -11.731 -8.802 1.674 646 HG1 THR 87 HG1 THR 87 -13.089 -7.169 1.627 647 HG21 THR 87 HG21 THR 87 -11.888 -8.355 4.650 648 HG22 THR 87 HG22 THR 87 -10.864 -9.589 3.917 649 HG23 THR 87 HG23 THR 87 -12.613 -9.656 3.707 650 H MET 88 H MET 88 -9.631 -7.960 0.080 651 HA MET 88 HA MET 88 -8.106 -10.341 0.631 652 HB2 MET 88 HB2 MET 88 -8.687 -8.811 -1.903 653 HB3 MET 88 HB3 MET 88 -7.671 -10.246 -1.867 654 HG2 MET 88 HG2 MET 88 -9.503 -11.590 -1.094 655 HG3 MET 88 HG3 MET 88 -10.530 -10.167 -0.937 656 HE1 MET 88 HE1 MET 88 -12.051 -9.636 -4.258 657 HE2 MET 88 HE2 MET 88 -12.191 -9.606 -2.500 658 HE3 MET 88 HE3 MET 88 -11.019 -8.565 -3.309 659 H GLY 89 H GLY 89 -7.462 -6.980 0.282 660 HA2 GLY 89 HA2 GLY 89 -5.501 -5.813 0.613 661 HA3 GLY 89 HA3 GLY 89 -4.712 -7.341 0.977 662 H ILE 90 H ILE 90 -6.423 -6.826 -2.018 663 HA ILE 90 HA ILE 90 -3.905 -7.170 -3.461 664 HB ILE 90 HB ILE 90 -6.693 -7.163 -4.612 665 HG12 ILE 90 HG12 ILE 90 -5.031 -9.535 -3.736 666 HG13 ILE 90 HG13 ILE 90 -6.432 -8.912 -2.871 667 HG21 ILE 90 HG21 ILE 90 -5.600 -8.442 -6.435 668 HG22 ILE 90 HG22 ILE 90 -4.993 -6.795 -6.268 669 HG23 ILE 90 HG23 ILE 90 -4.045 -8.151 -5.656 670 HD11 ILE 90 HD11 ILE 90 -6.431 -10.078 -5.644 671 HD12 ILE 90 HD12 ILE 90 -7.024 -10.857 -4.177 672 HD13 ILE 90 HD13 ILE 90 -7.838 -9.425 -4.807 673 H ASP 91 H ASP 91 -3.260 -5.800 -5.152 674 HA ASP 91 HA ASP 91 -4.424 -3.097 -5.014 675 HB2 ASP 91 HB2 ASP 91 -1.654 -4.085 -5.078 676 HB3 ASP 91 HB3 ASP 91 -1.971 -2.741 -6.172 677 H THR 92 H THR 92 -2.520 -5.052 -7.315 678 HA THR 92 HA THR 92 -4.204 -3.967 -9.476 679 HB THR 92 HB THR 92 -2.346 -4.439 -11.010 680 HG1 THR 92 HG1 THR 92 -0.716 -4.987 -8.758 681 HG21 THR 92 HG21 THR 92 -2.553 -2.266 -9.661 682 HG22 THR 92 HG22 THR 92 -0.999 -2.607 -10.421 683 HG23 THR 92 HG23 THR 92 -1.217 -2.890 -8.695 684 H TRP 93 H TRP 93 -5.788 -5.441 -9.759 685 HA TRP 93 HA TRP 93 -4.986 -8.255 -10.106 686 HB2 TRP 93 HB2 TRP 93 -7.226 -8.895 -9.461 687 HB3 TRP 93 HB3 TRP 93 -6.573 -7.809 -8.237 688 HD1 TRP 93 HD1 TRP 93 -9.289 -8.036 -10.899 689 HE1 TRP 93 HE1 TRP 93 -10.927 -6.076 -10.586 690 HE3 TRP 93 HE3 TRP 93 -6.708 -5.377 -7.377 691 HZ2 TRP 93 HZ2 TRP 93 -11.102 -3.714 -9.049 692 HZ3 TRP 93 HZ3 TRP 93 -7.679 -3.278 -6.539 693 HH2 TRP 93 HH2 TRP 93 -9.830 -2.465 -7.359 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -0.561 4.598 -7.568 2 HA2 GLY 1 HA2 GLY 1 1.511 4.858 -6.486 3 HA3 GLY 1 HA3 GLY 1 0.928 3.847 -5.173 4 H ALA 2 H ALA 2 1.914 1.957 -5.022 5 HA ALA 2 HA ALA 2 3.383 0.908 -7.301 6 HB1 ALA 2 HB1 ALA 2 3.242 -0.168 -4.488 7 HB2 ALA 2 HB2 ALA 2 4.408 -0.607 -5.737 8 HB3 ALA 2 HB3 ALA 2 4.419 1.018 -5.052 9 H MET 3 H MET 3 3.042 -1.091 -8.247 10 HA MET 3 HA MET 3 0.427 -2.316 -7.667 11 HB2 MET 3 HB2 MET 3 1.996 -2.186 -10.246 12 HB3 MET 3 HB3 MET 3 0.543 -3.153 -10.030 13 HG2 MET 3 HG2 MET 3 -0.612 -1.390 -10.698 14 HG3 MET 3 HG3 MET 3 -0.190 -0.628 -9.166 15 HE1 MET 3 HE1 MET 3 0.611 -0.136 -13.258 16 HE2 MET 3 HE2 MET 3 -0.844 -0.040 -12.266 17 HE3 MET 3 HE3 MET 3 0.036 1.430 -12.686 18 H ALA 4 H ALA 4 0.868 -3.961 -6.303 19 HA ALA 4 HA ALA 4 2.303 -6.228 -7.341 20 HB1 ALA 4 HB1 ALA 4 4.276 -5.738 -6.428 21 HB2 ALA 4 HB2 ALA 4 3.597 -4.417 -5.477 22 HB3 ALA 4 HB3 ALA 4 3.522 -6.070 -4.869 23 H ASN 5 H ASN 5 0.357 -7.320 -7.111 24 HA ASN 5 HA ASN 5 -1.356 -7.325 -4.948 25 HB2 ASN 5 HB2 ASN 5 -0.734 -9.245 -7.127 26 HB3 ASN 5 HB3 ASN 5 -1.633 -9.874 -5.750 27 HD21 ASN 5 HD21 ASN 5 -1.716 -6.680 -7.260 28 HD22 ASN 5 HD22 ASN 5 -3.390 -6.730 -7.684 29 HA PRO 6 HA PRO 6 0.567 -9.444 -1.623 30 HB2 PRO 6 HB2 PRO 6 -1.464 -10.947 -0.631 31 HB3 PRO 6 HB3 PRO 6 -1.392 -9.191 -0.450 32 HG2 PRO 6 HG2 PRO 6 -2.937 -10.831 -2.422 33 HG3 PRO 6 HG3 PRO 6 -3.455 -9.406 -1.502 34 HD2 PRO 6 HD2 PRO 6 -2.695 -9.267 -4.097 35 HD3 PRO 6 HD3 PRO 6 -2.424 -7.940 -2.950 36 H LYS 7 H LYS 7 0.541 -11.803 -0.563 37 HA LYS 7 HA LYS 7 1.333 -13.604 -2.727 38 HB2 LYS 7 HB2 LYS 7 1.964 -13.448 0.202 39 HB3 LYS 7 HB3 LYS 7 2.226 -14.947 -0.680 40 HG2 LYS 7 HG2 LYS 7 3.767 -13.860 -2.172 41 HG3 LYS 7 HG3 LYS 7 3.423 -12.291 -1.440 42 HD2 LYS 7 HD2 LYS 7 4.143 -13.866 0.712 43 HD3 LYS 7 HD3 LYS 7 5.229 -14.401 -0.572 44 HE2 LYS 7 HE2 LYS 7 4.806 -11.487 -0.009 45 HE3 LYS 7 HE3 LYS 7 5.960 -12.436 0.928 46 HZ1 LYS 7 HZ1 LYS 7 6.902 -11.247 -1.039 47 HZ2 LYS 7 HZ2 LYS 7 6.011 -12.286 -2.032 48 HZ3 LYS 7 HZ3 LYS 7 7.204 -12.911 -1.010 49 H THR 8 H THR 8 -0.582 -13.658 0.271 50 HA THR 8 HA THR 8 -2.331 -15.662 -0.952 51 HB THR 8 HB THR 8 -2.399 -16.946 1.192 52 HG1 THR 8 HG1 THR 8 -1.029 -16.462 2.799 53 HG21 THR 8 HG21 THR 8 0.370 -16.848 0.000 54 HG22 THR 8 HG22 THR 8 -1.008 -17.614 -0.789 55 HG23 THR 8 HG23 THR 8 -0.426 -18.226 0.759 56 H ILE 9 H ILE 9 -4.455 -15.519 -0.347 57 HA ILE 9 HA ILE 9 -5.125 -13.333 1.514 58 HB ILE 9 HB ILE 9 -7.316 -13.240 0.250 59 HG12 ILE 9 HG12 ILE 9 -6.128 -14.295 -2.193 60 HG13 ILE 9 HG13 ILE 9 -6.323 -15.537 -0.961 61 HG21 ILE 9 HG21 ILE 9 -6.506 -11.586 -1.086 62 HG22 ILE 9 HG22 ILE 9 -5.087 -11.838 -0.071 63 HG23 ILE 9 HG23 ILE 9 -5.163 -12.566 -1.675 64 HD11 ILE 9 HD11 ILE 9 -8.227 -14.997 -2.684 65 HD12 ILE 9 HD12 ILE 9 -8.597 -15.422 -1.013 66 HD13 ILE 9 HD13 ILE 9 -8.613 -13.732 -1.517 67 H LYS 10 H LYS 10 -6.175 -13.872 3.304 68 HA LYS 10 HA LYS 10 -6.746 -16.461 4.086 69 HB2 LYS 10 HB2 LYS 10 -7.144 -13.819 5.135 70 HB3 LYS 10 HB3 LYS 10 -8.586 -14.782 5.431 71 HG2 LYS 10 HG2 LYS 10 -7.530 -15.530 7.238 72 HG3 LYS 10 HG3 LYS 10 -6.552 -16.493 6.128 73 HD2 LYS 10 HD2 LYS 10 -5.037 -15.325 7.534 74 HD3 LYS 10 HD3 LYS 10 -4.996 -14.515 5.966 75 HE2 LYS 10 HE2 LYS 10 -5.751 -12.598 6.828 76 HE3 LYS 10 HE3 LYS 10 -7.020 -13.414 7.738 77 HZ1 LYS 10 HZ1 LYS 10 -4.238 -13.585 8.671 78 HZ2 LYS 10 HZ2 LYS 10 -5.673 -13.671 9.561 79 HZ3 LYS 10 HZ3 LYS 10 -5.128 -12.180 8.979 80 H ALA 11 H ALA 11 -8.374 -17.852 3.772 81 HA ALA 11 HA ALA 11 -10.211 -17.600 1.729 82 HB1 ALA 11 HB1 ALA 11 -11.471 -19.449 3.010 83 HB2 ALA 11 HB2 ALA 11 -9.826 -19.772 2.459 84 HB3 ALA 11 HB3 ALA 11 -10.126 -19.363 4.148 85 H ALA 12 H ALA 12 -10.608 -16.845 5.160 86 HA ALA 12 HA ALA 12 -13.336 -16.395 5.258 87 HB1 ALA 12 HB1 ALA 12 -11.107 -15.893 6.923 88 HB2 ALA 12 HB2 ALA 12 -12.047 -14.403 6.834 89 HB3 ALA 12 HB3 ALA 12 -12.817 -15.901 7.356 90 H ALA 13 H ALA 13 -10.774 -14.313 4.046 91 HA ALA 13 HA ALA 13 -12.284 -11.947 3.794 92 HB1 ALA 13 HB1 ALA 13 -9.944 -12.798 2.096 93 HB2 ALA 13 HB2 ALA 13 -10.520 -11.153 2.368 94 HB3 ALA 13 HB3 ALA 13 -9.808 -12.069 3.696 95 H TYR 14 H TYR 14 -11.731 -14.654 1.588 96 HA TYR 14 HA TYR 14 -12.885 -13.608 -0.714 97 HB2 TYR 14 HB2 TYR 14 -11.657 -15.870 -0.297 98 HB3 TYR 14 HB3 TYR 14 -13.271 -16.489 0.034 99 HD1 TYR 14 HD1 TYR 14 -14.501 -17.351 -1.723 100 HD2 TYR 14 HD2 TYR 14 -11.435 -14.522 -2.558 101 HE1 TYR 14 HE1 TYR 14 -14.882 -17.659 -4.134 102 HE2 TYR 14 HE2 TYR 14 -11.808 -14.820 -4.971 103 HH TYR 14 HH TYR 14 -14.412 -16.883 -6.186 104 H ASN 15 H ASN 15 -14.427 -15.501 1.877 105 HA ASN 15 HA ASN 15 -17.018 -15.493 0.818 106 HB2 ASN 15 HB2 ASN 15 -15.940 -15.770 3.613 107 HB3 ASN 15 HB3 ASN 15 -17.674 -15.769 3.308 108 HD21 ASN 15 HD21 ASN 15 -14.671 -17.337 2.295 109 HD22 ASN 15 HD22 ASN 15 -15.371 -18.892 2.021 110 H GLN 16 H GLN 16 -15.291 -13.123 2.743 111 HA GLN 16 HA GLN 16 -17.585 -11.504 3.293 112 HB2 GLN 16 HB2 GLN 16 -15.630 -11.448 4.755 113 HB3 GLN 16 HB3 GLN 16 -14.635 -10.857 3.431 114 HG2 GLN 16 HG2 GLN 16 -15.291 -9.092 5.013 115 HG3 GLN 16 HG3 GLN 16 -15.850 -8.789 3.368 116 HE21 GLN 16 HE21 GLN 16 -17.902 -8.263 3.115 117 HE22 GLN 16 HE22 GLN 16 -19.161 -8.507 4.272 118 H ALA 17 H ALA 17 -15.126 -11.600 0.796 119 HA ALA 17 HA ALA 17 -15.632 -9.077 -0.357 120 HB1 ALA 17 HB1 ALA 17 -13.630 -10.026 -1.027 121 HB2 ALA 17 HB2 ALA 17 -14.363 -11.599 -1.344 122 HB3 ALA 17 HB3 ALA 17 -14.652 -10.254 -2.447 123 H ARG 18 H ARG 18 -16.823 -12.319 -1.233 124 HA ARG 18 HA ARG 18 -18.538 -11.373 -3.294 125 HB2 ARG 18 HB2 ARG 18 -19.565 -13.685 -3.077 126 HB3 ARG 18 HB3 ARG 18 -17.847 -13.631 -3.450 127 HG2 ARG 18 HG2 ARG 18 -17.381 -14.852 -1.667 128 HG3 ARG 18 HG3 ARG 18 -18.196 -13.693 -0.615 129 HD2 ARG 18 HD2 ARG 18 -19.205 -15.873 -0.359 130 HD3 ARG 18 HD3 ARG 18 -20.348 -14.777 -1.134 131 HE ARG 18 HE ARG 18 -18.794 -16.357 -2.974 132 HH11 ARG 18 HH11 ARG 18 -21.679 -16.204 -1.032 133 HH12 ARG 18 HH12 ARG 18 -22.543 -17.360 -1.991 134 HH21 ARG 18 HH21 ARG 18 -19.921 -17.879 -4.245 135 HH22 ARG 18 HH22 ARG 18 -21.542 -18.313 -3.818 136 H SER 19 H SER 19 -18.929 -11.974 0.136 137 HA SER 19 HA SER 19 -21.708 -11.992 0.319 138 HB2 SER 19 HB2 SER 19 -20.572 -12.579 2.285 139 HB3 SER 19 HB3 SER 19 -19.535 -11.155 2.223 140 HG SER 19 HG SER 19 -21.490 -11.285 3.740 141 H THR 20 H THR 20 -19.471 -9.236 0.555 142 HA THR 20 HA THR 20 -21.366 -7.234 0.961 143 HB THR 20 HB THR 20 -18.794 -6.916 -0.594 144 HG1 THR 20 HG1 THR 20 -17.761 -7.063 1.261 145 HG21 THR 20 HG21 THR 20 -19.632 -4.828 -0.775 146 HG22 THR 20 HG22 THR 20 -19.111 -4.673 0.903 147 HG23 THR 20 HG23 THR 20 -20.789 -5.071 0.534 148 H LEU 21 H LEU 21 -20.084 -8.576 -2.057 149 HA LEU 21 HA LEU 21 -21.436 -6.799 -3.789 150 HB2 LEU 21 HB2 LEU 21 -20.641 -9.626 -4.435 151 HB3 LEU 21 HB3 LEU 21 -20.824 -8.273 -5.549 152 HG LEU 21 HG LEU 21 -18.745 -8.140 -3.408 153 HD11 LEU 21 HD11 LEU 21 -17.590 -9.856 -4.198 154 HD12 LEU 21 HD12 LEU 21 -17.550 -9.092 -5.786 155 HD13 LEU 21 HD13 LEU 21 -18.861 -10.196 -5.373 156 HD21 LEU 21 HD21 LEU 21 -19.085 -7.016 -6.179 157 HD22 LEU 21 HD22 LEU 21 -17.581 -6.899 -5.266 158 HD23 LEU 21 HD23 LEU 21 -19.049 -6.142 -4.647 159 H ALA 22 H ALA 22 -22.383 -9.743 -2.182 160 HA ALA 22 HA ALA 22 -24.552 -10.557 -3.691 161 HB1 ALA 22 HB1 ALA 22 -23.539 -11.657 -1.630 162 HB2 ALA 22 HB2 ALA 22 -24.580 -10.590 -0.688 163 HB3 ALA 22 HB3 ALA 22 -25.291 -11.751 -1.809 164 H ASP 23 H ASP 23 -24.226 -7.784 -1.630 165 HA ASP 23 HA ASP 23 -26.901 -7.215 -1.079 166 HB2 ASP 23 HB2 ASP 23 -24.770 -6.058 -0.208 167 HB3 ASP 23 HB3 ASP 23 -24.866 -5.076 -1.668 168 H ALA 24 H ALA 24 -24.984 -6.654 -3.960 169 HA ALA 24 HA ALA 24 -27.317 -5.407 -5.251 170 HB1 ALA 24 HB1 ALA 24 -24.389 -5.084 -5.597 171 HB2 ALA 24 HB2 ALA 24 -25.407 -4.921 -7.029 172 HB3 ALA 24 HB3 ALA 24 -25.677 -3.878 -5.633 173 H GLY 25 H GLY 25 -25.228 -8.158 -5.258 174 HA2 GLY 25 HA2 GLY 25 -26.411 -10.111 -6.360 175 HA3 GLY 25 HA3 GLY 25 -26.440 -9.084 -7.786 176 H SER 26 H SER 26 -25.223 -11.715 -7.427 177 HA SER 26 HA SER 26 -22.431 -10.989 -8.030 178 HB2 SER 26 HB2 SER 26 -22.311 -13.638 -7.278 179 HB3 SER 26 HB3 SER 26 -21.898 -12.267 -6.249 180 HG SER 26 HG SER 26 -24.121 -13.920 -6.205 181 H ARG 27 H ARG 27 -21.952 -11.320 -10.087 182 HA ARG 27 HA ARG 27 -23.628 -12.911 -11.790 183 HB2 ARG 27 HB2 ARG 27 -21.733 -10.834 -12.128 184 HB3 ARG 27 HB3 ARG 27 -21.150 -12.213 -13.051 185 HG2 ARG 27 HG2 ARG 27 -23.840 -10.885 -13.306 186 HG3 ARG 27 HG3 ARG 27 -22.503 -10.807 -14.456 187 HD2 ARG 27 HD2 ARG 27 -22.713 -13.399 -14.465 188 HD3 ARG 27 HD3 ARG 27 -24.322 -13.092 -13.812 189 HE ARG 27 HE ARG 27 -24.007 -11.481 -16.059 190 HH11 ARG 27 HH11 ARG 27 -24.156 -14.869 -15.273 191 HH12 ARG 27 HH12 ARG 27 -24.822 -15.329 -16.805 192 HH21 ARG 27 HH21 ARG 27 -24.882 -12.074 -18.081 193 HH22 ARG 27 HH22 ARG 27 -25.233 -13.738 -18.402 194 H THR 28 H THR 28 -20.136 -13.058 -11.064 195 HA THR 28 HA THR 28 -19.935 -15.739 -12.080 196 HB THR 28 HB THR 28 -17.621 -15.621 -11.634 197 HG1 THR 28 HG1 THR 28 -18.248 -13.494 -9.840 198 HG21 THR 28 HG21 THR 28 -18.131 -12.707 -12.052 199 HG22 THR 28 HG22 THR 28 -18.699 -13.864 -13.256 200 HG23 THR 28 HG23 THR 28 -16.983 -13.774 -12.860 201 H ALA 29 H ALA 29 -19.875 -14.221 -8.879 202 HA ALA 29 HA ALA 29 -19.290 -16.482 -7.354 203 HB1 ALA 29 HB1 ALA 29 -21.161 -14.764 -5.992 204 HB2 ALA 29 HB2 ALA 29 -19.447 -15.036 -5.674 205 HB3 ALA 29 HB3 ALA 29 -19.943 -13.818 -6.849 206 H ALA 30 H ALA 30 -22.260 -15.462 -8.864 207 HA ALA 30 HA ALA 30 -24.119 -16.947 -7.411 208 HB1 ALA 30 HB1 ALA 30 -25.202 -17.021 -9.873 209 HB2 ALA 30 HB2 ALA 30 -25.240 -15.599 -8.831 210 HB3 ALA 30 HB3 ALA 30 -24.018 -15.733 -10.095 211 H LYS 31 H LYS 31 -22.111 -17.881 -10.174 212 HA LYS 31 HA LYS 31 -23.161 -20.595 -10.102 213 HB2 LYS 31 HB2 LYS 31 -22.707 -19.394 -12.260 214 HB3 LYS 31 HB3 LYS 31 -20.993 -19.463 -11.876 215 HG2 LYS 31 HG2 LYS 31 -21.388 -22.013 -11.681 216 HG3 LYS 31 HG3 LYS 31 -22.856 -21.681 -12.603 217 HD2 LYS 31 HD2 LYS 31 -21.709 -21.428 -14.502 218 HD3 LYS 31 HD3 LYS 31 -20.535 -20.357 -13.734 219 HE2 LYS 31 HE2 LYS 31 -19.486 -22.435 -12.746 220 HE3 LYS 31 HE3 LYS 31 -20.521 -23.366 -13.827 221 HZ1 LYS 31 HZ1 LYS 31 -19.297 -21.429 -15.381 222 HZ2 LYS 31 HZ2 LYS 31 -18.991 -23.092 -15.385 223 HZ3 LYS 31 HZ3 LYS 31 -18.078 -22.068 -14.397 224 H SER 32 H SER 32 -20.394 -18.790 -9.060 225 HA SER 32 HA SER 32 -18.838 -21.196 -8.529 226 HB2 SER 32 HB2 SER 32 -18.107 -18.638 -9.227 227 HB3 SER 32 HB3 SER 32 -17.795 -18.655 -7.491 228 HG SER 32 HG SER 32 -16.555 -20.055 -9.538 229 H HIS 33 H HIS 33 -17.587 -20.925 -6.271 230 HA HIS 33 HA HIS 33 -19.550 -20.305 -4.178 231 HB2 HIS 33 HB2 HIS 33 -18.375 -22.935 -4.826 232 HB3 HIS 33 HB3 HIS 33 -18.343 -22.501 -3.120 233 HD1 HIS 33 HD1 HIS 33 -20.186 -24.686 -4.724 234 HD2 HIS 33 HD2 HIS 33 -21.344 -21.064 -3.048 235 HE1 HIS 33 HE1 HIS 33 -22.655 -24.901 -4.297 236 HA PRO 34 HA PRO 34 -16.230 -18.472 -1.974 237 HB2 PRO 34 HB2 PRO 34 -16.814 -19.110 0.599 238 HB3 PRO 34 HB3 PRO 34 -17.744 -17.931 -0.333 239 HG2 PRO 34 HG2 PRO 34 -18.356 -20.806 0.233 240 HG3 PRO 34 HG3 PRO 34 -19.441 -19.404 0.267 241 HD2 PRO 34 HD2 PRO 34 -19.350 -21.125 -1.822 242 HD3 PRO 34 HD3 PRO 34 -19.710 -19.398 -2.023 243 H ILE 35 H ILE 35 -14.798 -19.096 0.157 244 HA ILE 35 HA ILE 35 -13.624 -21.728 -0.463 245 HB ILE 35 HB ILE 35 -12.207 -19.269 0.571 246 HG12 ILE 35 HG12 ILE 35 -12.077 -20.620 -2.134 247 HG13 ILE 35 HG13 ILE 35 -12.872 -19.086 -1.796 248 HG21 ILE 35 HG21 ILE 35 -10.162 -20.560 0.282 249 HG22 ILE 35 HG22 ILE 35 -11.251 -21.354 1.418 250 HG23 ILE 35 HG23 ILE 35 -11.105 -21.958 -0.233 251 HD11 ILE 35 HD11 ILE 35 -10.328 -18.686 -0.847 252 HD12 ILE 35 HD12 ILE 35 -10.074 -19.667 -2.290 253 HD13 ILE 35 HD13 ILE 35 -10.957 -18.145 -2.403 254 H HIS 36 H HIS 36 -13.666 -23.180 1.114 255 HA HIS 36 HA HIS 36 -13.632 -22.273 3.903 256 HB2 HIS 36 HB2 HIS 36 -15.655 -24.103 2.629 257 HB3 HIS 36 HB3 HIS 36 -15.323 -24.161 4.358 258 HD1 HIS 36 HD1 HIS 36 -15.688 -21.756 5.617 259 HD2 HIS 36 HD2 HIS 36 -17.524 -22.270 1.926 260 HE1 HIS 36 HE1 HIS 36 -17.479 -19.994 5.506 261 H GLY 37 H GLY 37 -13.033 -23.983 5.432 262 HA2 GLY 37 HA2 GLY 37 -11.521 -25.574 6.112 263 HA3 GLY 37 HA3 GLY 37 -12.175 -26.531 4.791 264 H LYS 38 H LYS 38 -10.211 -23.563 4.845 265 HA LYS 38 HA LYS 38 -7.984 -25.005 3.641 266 HB2 LYS 38 HB2 LYS 38 -9.586 -22.876 2.270 267 HB3 LYS 38 HB3 LYS 38 -7.864 -23.015 1.939 268 HG2 LYS 38 HG2 LYS 38 -9.027 -25.606 1.772 269 HG3 LYS 38 HG3 LYS 38 -9.995 -24.485 0.812 270 HD2 LYS 38 HD2 LYS 38 -8.290 -24.048 -0.647 271 HD3 LYS 38 HD3 LYS 38 -7.037 -24.337 0.561 272 HE2 LYS 38 HE2 LYS 38 -6.993 -26.580 0.177 273 HE3 LYS 38 HE3 LYS 38 -8.702 -26.651 -0.248 274 HZ1 LYS 38 HZ1 LYS 38 -8.126 -25.551 -2.366 275 HZ2 LYS 38 HZ2 LYS 38 -7.399 -27.068 -2.191 276 HZ3 LYS 38 HZ3 LYS 38 -6.487 -25.662 -1.959 277 H THR 39 H THR 39 -6.047 -24.215 4.246 278 HA THR 39 HA THR 39 -5.838 -22.398 6.360 279 HB THR 39 HB THR 39 -3.505 -22.799 4.536 280 HG1 THR 39 HG1 THR 39 -3.242 -24.905 5.413 281 HG21 THR 39 HG21 THR 39 -3.398 -23.338 7.440 282 HG22 THR 39 HG22 THR 39 -3.734 -21.672 6.971 283 HG23 THR 39 HG23 THR 39 -2.266 -22.468 6.405 284 H ASP 40 H ASP 40 -5.199 -21.953 2.894 285 HA ASP 40 HA ASP 40 -6.068 -19.292 2.837 286 HB2 ASP 40 HB2 ASP 40 -3.668 -18.351 2.332 287 HB3 ASP 40 HB3 ASP 40 -4.242 -18.469 3.994 288 H VAL 41 H VAL 41 -6.036 -18.411 0.750 289 HA VAL 41 HA VAL 41 -5.148 -20.288 -1.342 290 HB VAL 41 HB VAL 41 -6.900 -19.074 -2.764 291 HG11 VAL 41 HG11 VAL 41 -7.862 -21.053 -2.464 292 HG12 VAL 41 HG12 VAL 41 -7.130 -21.219 -0.866 293 HG13 VAL 41 HG13 VAL 41 -8.678 -20.392 -1.048 294 HG21 VAL 41 HG21 VAL 41 -7.087 -17.372 -0.694 295 HG22 VAL 41 HG22 VAL 41 -8.397 -17.650 -1.842 296 HG23 VAL 41 HG23 VAL 41 -8.395 -18.483 -0.288 297 HA PRO 42 HA PRO 42 -2.520 -17.232 -3.081 298 HB2 PRO 42 HB2 PRO 42 -2.757 -17.761 -5.733 299 HB3 PRO 42 HB3 PRO 42 -1.884 -18.818 -4.617 300 HG2 PRO 42 HG2 PRO 42 -4.665 -19.082 -5.692 301 HG3 PRO 42 HG3 PRO 42 -3.421 -20.329 -5.488 302 HD2 PRO 42 HD2 PRO 42 -5.462 -20.008 -3.738 303 HD3 PRO 42 HD3 PRO 42 -3.856 -20.573 -3.238 304 H VAL 43 H VAL 43 -2.472 -15.246 -4.187 305 HA VAL 43 HA VAL 43 -4.713 -13.647 -4.060 306 HB VAL 43 HB VAL 43 -2.532 -12.652 -4.218 307 HG11 VAL 43 HG11 VAL 43 -2.425 -13.852 -6.981 308 HG12 VAL 43 HG12 VAL 43 -1.277 -12.661 -6.366 309 HG13 VAL 43 HG13 VAL 43 -1.396 -14.248 -5.605 310 HG21 VAL 43 HG21 VAL 43 -3.312 -10.810 -5.211 311 HG22 VAL 43 HG22 VAL 43 -3.454 -11.613 -6.775 312 HG23 VAL 43 HG23 VAL 43 -4.750 -11.759 -5.588 313 H SER 44 H SER 44 -3.637 -15.718 -6.663 314 HA SER 44 HA SER 44 -5.116 -14.707 -8.786 315 HB2 SER 44 HB2 SER 44 -3.672 -17.121 -8.197 316 HB3 SER 44 HB3 SER 44 -5.183 -17.528 -9.009 317 HG SER 44 HG SER 44 -4.606 -16.113 -10.679 318 H TYR 45 H TYR 45 -6.113 -16.704 -6.088 319 HA TYR 45 HA TYR 45 -8.662 -17.409 -7.146 320 HB2 TYR 45 HB2 TYR 45 -7.264 -18.444 -5.164 321 HB3 TYR 45 HB3 TYR 45 -8.161 -17.276 -4.200 322 HD1 TYR 45 HD1 TYR 45 -10.815 -17.262 -5.079 323 HD2 TYR 45 HD2 TYR 45 -8.135 -20.566 -5.016 324 HE1 TYR 45 HE1 TYR 45 -12.729 -18.804 -4.984 325 HE2 TYR 45 HE2 TYR 45 -10.042 -22.118 -4.922 326 HH TYR 45 HH TYR 45 -13.380 -20.938 -5.069 327 H GLY 46 H GLY 46 -7.590 -14.967 -4.789 328 HA2 GLY 46 HA2 GLY 46 -10.164 -13.870 -4.343 329 HA3 GLY 46 HA3 GLY 46 -8.633 -13.091 -3.971 330 H THR 47 H THR 47 -7.562 -13.010 -6.580 331 HA THR 47 HA THR 47 -8.595 -10.600 -7.523 332 HB THR 47 HB THR 47 -7.370 -11.330 -9.721 333 HG1 THR 47 HG1 THR 47 -6.567 -13.277 -9.647 334 HG21 THR 47 HG21 THR 47 -5.733 -11.107 -7.200 335 HG22 THR 47 HG22 THR 47 -6.572 -9.737 -7.929 336 HG23 THR 47 HG23 THR 47 -5.302 -10.572 -8.823 337 H SER 48 H SER 48 -9.355 -13.914 -8.411 338 HA SER 48 HA SER 48 -10.795 -13.429 -10.758 339 HB2 SER 48 HB2 SER 48 -10.182 -15.658 -9.205 340 HB3 SER 48 HB3 SER 48 -11.943 -15.580 -9.168 341 HG SER 48 HG SER 48 -12.024 -15.970 -11.262 342 H LEU 49 H LEU 49 -11.812 -13.395 -7.375 343 HA LEU 49 HA LEU 49 -14.574 -12.943 -7.976 344 HB2 LEU 49 HB2 LEU 49 -13.886 -14.025 -5.908 345 HB3 LEU 49 HB3 LEU 49 -13.020 -12.570 -5.420 346 HG LEU 49 HG LEU 49 -14.996 -11.408 -4.959 347 HD11 LEU 49 HD11 LEU 49 -16.480 -11.599 -6.658 348 HD12 LEU 49 HD12 LEU 49 -17.228 -12.747 -5.547 349 HD13 LEU 49 HD13 LEU 49 -16.201 -13.329 -6.858 350 HD21 LEU 49 HD21 LEU 49 -16.031 -14.064 -4.153 351 HD22 LEU 49 HD22 LEU 49 -15.807 -12.595 -3.202 352 HD23 LEU 49 HD23 LEU 49 -14.421 -13.617 -3.586 353 H LEU 50 H LEU 50 -11.827 -10.914 -7.092 354 HA LEU 50 HA LEU 50 -13.224 -8.510 -6.708 355 HB2 LEU 50 HB2 LEU 50 -10.609 -9.324 -6.541 356 HB3 LEU 50 HB3 LEU 50 -10.579 -8.221 -7.915 357 HG LEU 50 HG LEU 50 -11.441 -7.583 -5.096 358 HD11 LEU 50 HD11 LEU 50 -8.968 -7.246 -6.648 359 HD12 LEU 50 HD12 LEU 50 -9.216 -7.336 -4.905 360 HD13 LEU 50 HD13 LEU 50 -9.503 -5.820 -5.758 361 HD21 LEU 50 HD21 LEU 50 -11.254 -5.213 -6.469 362 HD22 LEU 50 HD22 LEU 50 -12.752 -6.041 -6.041 363 HD23 LEU 50 HD23 LEU 50 -12.036 -6.281 -7.636 364 H ALA 51 H ALA 51 -11.566 -9.765 -9.598 365 HA ALA 51 HA ALA 51 -12.354 -7.604 -11.270 366 HB1 ALA 51 HB1 ALA 51 -10.848 -10.071 -11.543 367 HB2 ALA 51 HB2 ALA 51 -11.834 -9.721 -12.963 368 HB3 ALA 51 HB3 ALA 51 -10.665 -8.533 -12.387 369 H ALA 52 H ALA 52 -13.755 -10.717 -10.475 370 HA ALA 52 HA ALA 52 -15.616 -10.957 -12.537 371 HB1 ALA 52 HB1 ALA 52 -15.317 -12.056 -9.819 372 HB2 ALA 52 HB2 ALA 52 -16.949 -12.090 -10.489 373 HB3 ALA 52 HB3 ALA 52 -15.625 -12.875 -11.351 374 H ALA 53 H ALA 53 -15.953 -9.387 -9.363 375 HA ALA 53 HA ALA 53 -18.627 -8.522 -9.817 376 HB1 ALA 53 HB1 ALA 53 -18.443 -8.310 -7.613 377 HB2 ALA 53 HB2 ALA 53 -16.682 -8.366 -7.693 378 HB3 ALA 53 HB3 ALA 53 -17.526 -6.831 -7.898 379 H ARG 54 H ARG 54 -15.469 -6.909 -10.019 380 HA ARG 54 HA ARG 54 -16.340 -4.339 -10.611 381 HB2 ARG 54 HB2 ARG 54 -14.067 -4.475 -10.185 382 HB3 ARG 54 HB3 ARG 54 -13.851 -5.879 -11.221 383 HG2 ARG 54 HG2 ARG 54 -13.623 -4.629 -13.109 384 HG3 ARG 54 HG3 ARG 54 -14.647 -3.326 -12.502 385 HD2 ARG 54 HD2 ARG 54 -12.882 -2.197 -11.754 386 HD3 ARG 54 HD3 ARG 54 -12.283 -3.607 -10.881 387 HE ARG 54 HE ARG 54 -11.689 -3.984 -13.570 388 HH11 ARG 54 HH11 ARG 54 -10.853 -1.789 -11.001 389 HH12 ARG 54 HH12 ARG 54 -9.275 -1.448 -11.629 390 HH21 ARG 54 HH21 ARG 54 -9.613 -3.543 -14.408 391 HH22 ARG 54 HH22 ARG 54 -8.571 -2.445 -13.568 392 H ASP 55 H ASP 55 -15.457 -6.934 -12.888 393 HA ASP 55 HA ASP 55 -16.036 -5.568 -15.246 394 HB2 ASP 55 HB2 ASP 55 -14.845 -7.602 -15.440 395 HB3 ASP 55 HB3 ASP 55 -16.072 -8.499 -14.550 396 H GLU 56 H GLU 56 -18.131 -7.650 -13.271 397 HA GLU 56 HA GLU 56 -20.404 -7.542 -14.891 398 HB2 GLU 56 HB2 GLU 56 -20.342 -9.150 -13.141 399 HB3 GLU 56 HB3 GLU 56 -20.072 -7.915 -11.919 400 HG2 GLU 56 HG2 GLU 56 -22.393 -8.948 -12.070 401 HG3 GLU 56 HG3 GLU 56 -22.282 -7.190 -11.984 402 H PHE 57 H PHE 57 -19.512 -5.508 -12.111 403 HA PHE 57 HA PHE 57 -21.763 -3.843 -12.170 404 HB2 PHE 57 HB2 PHE 57 -18.952 -3.219 -11.240 405 HB3 PHE 57 HB3 PHE 57 -20.375 -2.249 -10.875 406 HD1 PHE 57 HD1 PHE 57 -18.328 -3.813 -9.048 407 HD2 PHE 57 HD2 PHE 57 -22.290 -4.557 -10.416 408 HE1 PHE 57 HE1 PHE 57 -18.753 -5.196 -7.057 409 HE2 PHE 57 HE2 PHE 57 -22.720 -5.941 -8.428 410 HZ PHE 57 HZ PHE 57 -20.951 -6.261 -6.745 411 H ARG 58 H ARG 58 -18.863 -3.864 -14.087 412 HA ARG 58 HA ARG 58 -18.836 -1.251 -15.047 413 HB2 ARG 58 HB2 ARG 58 -17.111 -3.087 -15.419 414 HB3 ARG 58 HB3 ARG 58 -18.151 -3.669 -16.712 415 HG2 ARG 58 HG2 ARG 58 -17.912 -1.020 -17.325 416 HG3 ARG 58 HG3 ARG 58 -16.325 -1.395 -16.649 417 HD2 ARG 58 HD2 ARG 58 -17.652 -3.060 -18.778 418 HD3 ARG 58 HD3 ARG 58 -16.567 -1.718 -19.140 419 HE ARG 58 HE ARG 58 -15.129 -3.269 -17.438 420 HH11 ARG 58 HH11 ARG 58 -16.817 -3.869 -20.423 421 HH12 ARG 58 HH12 ARG 58 -15.752 -5.142 -20.921 422 HH21 ARG 58 HH21 ARG 58 -13.720 -4.943 -18.083 423 HH22 ARG 58 HH22 ARG 58 -13.991 -5.752 -19.589 424 H GLN 59 H GLN 59 -20.767 -4.020 -16.026 425 HA GLN 59 HA GLN 59 -21.860 -2.755 -18.348 426 HB2 GLN 59 HB2 GLN 59 -21.714 -5.195 -18.173 427 HB3 GLN 59 HB3 GLN 59 -22.816 -5.170 -16.802 428 HG2 GLN 59 HG2 GLN 59 -24.091 -3.801 -18.909 429 HG3 GLN 59 HG3 GLN 59 -23.409 -5.280 -19.584 430 HE21 GLN 59 HE21 GLN 59 -24.820 -4.499 -16.426 431 HE22 GLN 59 HE22 GLN 59 -26.022 -5.739 -16.464 432 H ALA 60 H ALA 60 -22.798 -3.074 -14.985 433 HA ALA 60 HA ALA 60 -25.467 -2.251 -15.180 434 HB1 ALA 60 HB1 ALA 60 -25.294 -1.699 -12.806 435 HB2 ALA 60 HB2 ALA 60 -24.534 -3.251 -13.160 436 HB3 ALA 60 HB3 ALA 60 -23.537 -1.819 -12.903 437 H ASP 61 H ASP 61 -22.516 -0.348 -14.625 438 HA ASP 61 HA ASP 61 -24.045 2.125 -14.891 439 HB2 ASP 61 HB2 ASP 61 -22.164 3.254 -14.012 440 HB3 ASP 61 HB3 ASP 61 -22.265 1.753 -13.096 441 H LYS 62 H LYS 62 -23.702 0.391 -17.185 442 HA LYS 62 HA LYS 62 -21.708 1.569 -18.888 443 HB2 LYS 62 HB2 LYS 62 -22.472 -0.796 -19.102 444 HB3 LYS 62 HB3 LYS 62 -24.039 -0.204 -19.638 445 HG2 LYS 62 HG2 LYS 62 -23.126 0.687 -21.629 446 HG3 LYS 62 HG3 LYS 62 -21.473 0.468 -21.050 447 HD2 LYS 62 HD2 LYS 62 -23.160 -1.958 -21.173 448 HD3 LYS 62 HD3 LYS 62 -22.693 -1.246 -22.719 449 HE2 LYS 62 HE2 LYS 62 -20.537 -1.494 -20.728 450 HE3 LYS 62 HE3 LYS 62 -21.184 -3.016 -21.338 451 HZ1 LYS 62 HZ1 LYS 62 -19.711 -0.923 -22.752 452 HZ2 LYS 62 HZ2 LYS 62 -20.891 -1.769 -23.619 453 HZ3 LYS 62 HZ3 LYS 62 -19.607 -2.605 -22.901 454 H LYS 63 H LYS 63 -25.132 1.993 -18.301 455 HA LYS 63 HA LYS 63 -25.645 3.602 -20.597 456 HB2 LYS 63 HB2 LYS 63 -27.494 2.488 -19.565 457 HB3 LYS 63 HB3 LYS 63 -27.136 3.211 -18.003 458 HG2 LYS 63 HG2 LYS 63 -27.624 5.157 -20.129 459 HG3 LYS 63 HG3 LYS 63 -29.002 4.115 -19.767 460 HD2 LYS 63 HD2 LYS 63 -29.432 5.285 -17.927 461 HD3 LYS 63 HD3 LYS 63 -27.809 4.958 -17.314 462 HE2 LYS 63 HE2 LYS 63 -26.965 6.944 -18.103 463 HE3 LYS 63 HE3 LYS 63 -28.164 7.066 -19.390 464 HZ1 LYS 63 HZ1 LYS 63 -28.710 7.466 -16.497 465 HZ2 LYS 63 HZ2 LYS 63 -29.833 7.629 -17.752 466 HZ3 LYS 63 HZ3 LYS 63 -28.531 8.703 -17.638 467 H LEU 64 H LEU 64 -24.276 4.199 -17.493 468 HA LEU 64 HA LEU 64 -24.757 7.047 -17.540 469 HB2 LEU 64 HB2 LEU 64 -22.751 5.711 -15.771 470 HB3 LEU 64 HB3 LEU 64 -23.746 7.130 -15.453 471 HG LEU 64 HG LEU 64 -24.834 4.324 -15.630 472 HD11 LEU 64 HD11 LEU 64 -23.129 4.988 -13.724 473 HD12 LEU 64 HD12 LEU 64 -24.569 4.028 -13.387 474 HD13 LEU 64 HD13 LEU 64 -24.564 5.757 -13.044 475 HD21 LEU 64 HD21 LEU 64 -26.290 6.267 -14.055 476 HD22 LEU 64 HD22 LEU 64 -26.849 5.233 -15.370 477 HD23 LEU 64 HD23 LEU 64 -26.102 6.790 -15.729 478 HA PRO 65 HA PRO 65 -21.199 8.315 -19.779 479 HB2 PRO 65 HB2 PRO 65 -20.632 10.670 -18.553 480 HB3 PRO 65 HB3 PRO 65 -22.020 10.456 -19.627 481 HG2 PRO 65 HG2 PRO 65 -21.917 10.423 -16.636 482 HG3 PRO 65 HG3 PRO 65 -23.104 11.192 -17.706 483 HD2 PRO 65 HD2 PRO 65 -23.570 8.826 -16.475 484 HD3 PRO 65 HD3 PRO 65 -24.239 9.219 -18.072 485 H ALA 66 H ALA 66 -18.946 8.443 -19.691 486 HA ALA 66 HA ALA 66 -17.628 6.935 -17.778 487 HB1 ALA 66 HB1 ALA 66 -16.906 8.477 -20.087 488 HB2 ALA 66 HB2 ALA 66 -15.714 8.707 -18.807 489 HB3 ALA 66 HB3 ALA 66 -16.095 7.082 -19.376 490 H LYS 67 H LYS 67 -18.311 10.368 -17.834 491 HA LYS 67 HA LYS 67 -16.532 11.121 -15.758 492 HB2 LYS 67 HB2 LYS 67 -17.641 13.220 -15.769 493 HB3 LYS 67 HB3 LYS 67 -17.638 12.660 -17.436 494 HG2 LYS 67 HG2 LYS 67 -19.973 11.788 -17.006 495 HG3 LYS 67 HG3 LYS 67 -19.931 12.702 -15.497 496 HD2 LYS 67 HD2 LYS 67 -19.428 13.920 -18.208 497 HD3 LYS 67 HD3 LYS 67 -21.010 13.891 -17.425 498 HE2 LYS 67 HE2 LYS 67 -20.442 15.797 -16.426 499 HE3 LYS 67 HE3 LYS 67 -19.278 14.870 -15.481 500 HZ1 LYS 67 HZ1 LYS 67 -18.836 16.581 -17.815 501 HZ2 LYS 67 HZ2 LYS 67 -17.823 15.242 -17.612 502 HZ3 LYS 67 HZ3 LYS 67 -17.916 16.423 -16.404 503 H ASP 68 H ASP 68 -19.735 9.759 -15.808 504 HA ASP 68 HA ASP 68 -20.101 10.231 -12.951 505 HB2 ASP 68 HB2 ASP 68 -21.962 10.495 -14.689 506 HB3 ASP 68 HB3 ASP 68 -21.983 8.736 -14.769 507 H LYS 69 H LYS 69 -17.982 8.475 -13.872 508 HA LYS 69 HA LYS 69 -18.540 6.235 -12.167 509 HB2 LYS 69 HB2 LYS 69 -18.178 4.485 -13.815 510 HB3 LYS 69 HB3 LYS 69 -19.561 5.469 -14.276 511 HG2 LYS 69 HG2 LYS 69 -18.204 6.653 -15.904 512 HG3 LYS 69 HG3 LYS 69 -16.785 5.722 -15.417 513 HD2 LYS 69 HD2 LYS 69 -17.510 4.593 -17.310 514 HD3 LYS 69 HD3 LYS 69 -18.241 3.660 -16.002 515 HE2 LYS 69 HE2 LYS 69 -20.362 4.644 -16.363 516 HE3 LYS 69 HE3 LYS 69 -19.686 5.893 -17.407 517 HZ1 LYS 69 HZ1 LYS 69 -20.728 3.437 -18.164 518 HZ2 LYS 69 HZ2 LYS 69 -19.063 3.346 -18.445 519 HZ3 LYS 69 HZ3 LYS 69 -19.974 4.584 -19.152 520 H LYS 70 H LYS 70 -16.702 5.393 -11.311 521 HA LYS 70 HA LYS 70 -14.222 6.746 -11.958 522 HB2 LYS 70 HB2 LYS 70 -14.695 6.510 -9.627 523 HB3 LYS 70 HB3 LYS 70 -15.001 4.787 -9.799 524 HG2 LYS 70 HG2 LYS 70 -12.852 5.199 -8.744 525 HG3 LYS 70 HG3 LYS 70 -12.648 4.409 -10.309 526 HD2 LYS 70 HD2 LYS 70 -11.009 6.175 -10.056 527 HD3 LYS 70 HD3 LYS 70 -12.161 6.604 -11.323 528 HE2 LYS 70 HE2 LYS 70 -13.334 8.077 -9.822 529 HE3 LYS 70 HE3 LYS 70 -12.333 7.558 -8.467 530 HZ1 LYS 70 HZ1 LYS 70 -10.529 8.727 -9.234 531 HZ2 LYS 70 HZ2 LYS 70 -11.792 9.752 -9.700 532 HZ3 LYS 70 HZ3 LYS 70 -11.060 8.739 -10.841 533 H SER 71 H SER 71 -12.888 5.994 -13.453 534 HA SER 71 HA SER 71 -11.599 4.571 -14.684 535 HB2 SER 71 HB2 SER 71 -12.051 3.148 -12.246 536 HB3 SER 71 HB3 SER 71 -12.155 2.006 -13.585 537 HG SER 71 HG SER 71 -9.988 3.460 -12.649 538 H ASP 72 H ASP 72 -14.209 2.348 -13.743 539 HA ASP 72 HA ASP 72 -15.562 2.614 -16.259 540 HB2 ASP 72 HB2 ASP 72 -15.213 0.271 -16.983 541 HB3 ASP 72 HB3 ASP 72 -13.722 1.210 -17.000 542 H MET 73 H MET 73 -16.153 2.766 -13.410 543 HA MET 73 HA MET 73 -18.486 1.043 -13.414 544 HB2 MET 73 HB2 MET 73 -18.031 0.195 -11.126 545 HB3 MET 73 HB3 MET 73 -16.885 -0.399 -12.321 546 HG2 MET 73 HG2 MET 73 -15.751 1.941 -11.311 547 HG3 MET 73 HG3 MET 73 -16.415 1.096 -9.914 548 HE1 MET 73 HE1 MET 73 -15.916 -2.153 -10.811 549 HE2 MET 73 HE2 MET 73 -14.550 -2.164 -9.696 550 HE3 MET 73 HE3 MET 73 -15.998 -1.234 -9.307 551 H SER 74 H SER 74 -20.152 1.775 -12.073 552 HA SER 74 HA SER 74 -20.237 4.557 -11.634 553 HB2 SER 74 HB2 SER 74 -22.380 3.845 -11.872 554 HB3 SER 74 HB3 SER 74 -22.035 2.259 -11.181 555 HG SER 74 HG SER 74 -23.247 3.194 -9.656 556 H ILE 75 H ILE 75 -20.670 5.636 -9.565 557 HA ILE 75 HA ILE 75 -18.640 5.118 -7.680 558 HB ILE 75 HB ILE 75 -21.102 6.845 -7.396 559 HG12 ILE 75 HG12 ILE 75 -19.038 8.559 -7.697 560 HG13 ILE 75 HG13 ILE 75 -18.445 7.209 -8.659 561 HG21 ILE 75 HG21 ILE 75 -18.879 6.237 -5.578 562 HG22 ILE 75 HG22 ILE 75 -19.226 7.953 -5.783 563 HG23 ILE 75 HG23 ILE 75 -20.493 6.857 -5.233 564 HD11 ILE 75 HD11 ILE 75 -19.837 9.092 -9.771 565 HD12 ILE 75 HD12 ILE 75 -20.125 7.409 -10.213 566 HD13 ILE 75 HD13 ILE 75 -21.213 8.225 -9.090 567 H ALA 76 H ALA 76 -22.043 4.264 -7.797 568 HA ALA 76 HA ALA 76 -22.295 3.415 -5.109 569 HB1 ALA 76 HB1 ALA 76 -24.039 3.801 -7.149 570 HB2 ALA 76 HB2 ALA 76 -23.973 2.039 -7.086 571 HB3 ALA 76 HB3 ALA 76 -24.426 2.956 -5.649 572 H HIS 77 H HIS 77 -21.530 1.688 -8.111 573 HA HIS 77 HA HIS 77 -21.302 -0.857 -6.809 574 HB2 HIS 77 HB2 HIS 77 -20.253 -0.067 -9.531 575 HB3 HIS 77 HB3 HIS 77 -20.587 -1.697 -8.954 576 HD1 HIS 77 HD1 HIS 77 -21.909 0.154 -11.387 577 HD2 HIS 77 HD2 HIS 77 -23.643 -1.230 -7.875 578 HE1 HIS 77 HE1 HIS 77 -24.385 0.130 -11.824 579 H TYR 78 H TYR 78 -19.093 1.693 -7.786 580 HA TYR 78 HA TYR 78 -16.666 0.358 -7.538 581 HB2 TYR 78 HB2 TYR 78 -16.891 2.631 -8.461 582 HB3 TYR 78 HB3 TYR 78 -17.266 3.245 -6.855 583 HD1 TYR 78 HD1 TYR 78 -14.640 2.181 -9.122 584 HD2 TYR 78 HD2 TYR 78 -15.512 3.280 -5.105 585 HE1 TYR 78 HE1 TYR 78 -12.241 2.527 -8.702 586 HE2 TYR 78 HE2 TYR 78 -13.116 3.630 -4.674 587 HH TYR 78 HH TYR 78 -10.692 3.070 -7.213 588 H ASN 79 H ASN 79 -18.639 1.952 -5.072 589 HA ASN 79 HA ASN 79 -16.841 1.733 -2.934 590 HB2 ASN 79 HB2 ASN 79 -19.794 2.083 -3.184 591 HB3 ASN 79 HB3 ASN 79 -19.142 1.651 -1.606 592 HD21 ASN 79 HD21 ASN 79 -20.195 4.164 -3.239 593 HD22 ASN 79 HD22 ASN 79 -19.169 5.417 -2.635 594 H ALA 80 H ALA 80 -19.129 -0.550 -4.299 595 HA ALA 80 HA ALA 80 -19.000 -2.450 -2.191 596 HB1 ALA 80 HB1 ALA 80 -19.856 -2.662 -5.067 597 HB2 ALA 80 HB2 ALA 80 -19.933 -4.015 -3.938 598 HB3 ALA 80 HB3 ALA 80 -20.875 -2.556 -3.631 599 H VAL 81 H VAL 81 -17.313 -2.150 -5.299 600 HA VAL 81 HA VAL 81 -15.855 -4.541 -5.160 601 HB VAL 81 HB VAL 81 -14.881 -2.000 -6.459 602 HG11 VAL 81 HG11 VAL 81 -13.162 -3.513 -6.665 603 HG12 VAL 81 HG12 VAL 81 -14.247 -4.904 -6.720 604 HG13 VAL 81 HG13 VAL 81 -14.087 -3.852 -8.128 605 HG21 VAL 81 HG21 VAL 81 -17.191 -3.683 -7.090 606 HG22 VAL 81 HG22 VAL 81 -16.808 -2.042 -7.609 607 HG23 VAL 81 HG23 VAL 81 -16.096 -3.420 -8.448 608 H HIS 82 H HIS 82 -15.007 -1.254 -4.114 609 HA HIS 82 HA HIS 82 -12.403 -1.749 -3.267 610 HB2 HIS 82 HB2 HIS 82 -13.133 0.511 -3.402 611 HB3 HIS 82 HB3 HIS 82 -14.475 0.219 -2.300 612 HD1 HIS 82 HD1 HIS 82 -14.048 0.599 0.140 613 HD2 HIS 82 HD2 HIS 82 -10.547 0.517 -2.094 614 HE1 HIS 82 HE1 HIS 82 -12.225 1.303 1.722 615 H SER 83 H SER 83 -15.467 -2.341 -1.663 616 HA SER 83 HA SER 83 -14.516 -2.817 0.929 617 HB2 SER 83 HB2 SER 83 -16.965 -2.652 -0.038 618 HB3 SER 83 HB3 SER 83 -16.813 -4.405 -0.149 619 HG SER 83 HG SER 83 -16.001 -4.048 2.184 620 H ALA 84 H ALA 84 -15.028 -5.046 -1.786 621 HA ALA 84 HA ALA 84 -14.142 -7.354 -0.374 622 HB1 ALA 84 HB1 ALA 84 -13.987 -8.333 -2.711 623 HB2 ALA 84 HB2 ALA 84 -15.570 -7.745 -2.203 624 HB3 ALA 84 HB3 ALA 84 -14.576 -6.775 -3.290 625 H ALA 85 H ALA 85 -12.606 -5.281 -2.828 626 HA ALA 85 HA ALA 85 -10.159 -6.592 -2.986 627 HB1 ALA 85 HB1 ALA 85 -9.257 -4.454 -3.810 628 HB2 ALA 85 HB2 ALA 85 -10.796 -4.872 -4.564 629 HB3 ALA 85 HB3 ALA 85 -10.739 -3.649 -3.295 630 H LYS 86 H LYS 86 -11.328 -4.243 -0.647 631 HA LYS 86 HA LYS 86 -8.869 -3.670 0.599 632 HB2 LYS 86 HB2 LYS 86 -11.722 -3.276 1.198 633 HB3 LYS 86 HB3 LYS 86 -10.692 -3.399 2.619 634 HG2 LYS 86 HG2 LYS 86 -10.262 -1.483 0.336 635 HG3 LYS 86 HG3 LYS 86 -11.028 -1.081 1.874 636 HD2 LYS 86 HD2 LYS 86 -9.061 -0.937 2.942 637 HD3 LYS 86 HD3 LYS 86 -8.430 -2.390 2.162 638 HE2 LYS 86 HE2 LYS 86 -7.335 -1.206 0.611 639 HE3 LYS 86 HE3 LYS 86 -8.710 -0.138 0.333 640 HZ1 LYS 86 HZ1 LYS 86 -7.214 1.317 1.214 641 HZ2 LYS 86 HZ2 LYS 86 -6.473 0.161 2.202 642 HZ3 LYS 86 HZ3 LYS 86 -7.972 0.812 2.640 643 H THR 87 H THR 87 -11.375 -6.070 1.351 644 HA THR 87 HA THR 87 -10.102 -7.146 3.627 645 HB THR 87 HB THR 87 -11.930 -8.699 1.798 646 HG1 THR 87 HG1 THR 87 -12.615 -6.791 3.806 647 HG21 THR 87 HG21 THR 87 -11.801 -8.764 4.801 648 HG22 THR 87 HG22 THR 87 -10.736 -9.758 3.806 649 HG23 THR 87 HG23 THR 87 -12.485 -9.959 3.700 650 H MET 88 H MET 88 -9.947 -7.972 0.197 651 HA MET 88 HA MET 88 -8.304 -10.284 0.602 652 HB2 MET 88 HB2 MET 88 -9.066 -8.692 -1.841 653 HB3 MET 88 HB3 MET 88 -7.969 -10.063 -1.918 654 HG2 MET 88 HG2 MET 88 -9.707 -11.519 -1.030 655 HG3 MET 88 HG3 MET 88 -10.806 -10.146 -0.921 656 HE1 MET 88 HE1 MET 88 -12.399 -9.541 -2.591 657 HE2 MET 88 HE2 MET 88 -11.154 -8.580 -3.389 658 HE3 MET 88 HE3 MET 88 -12.188 -9.648 -4.339 659 H GLY 89 H GLY 89 -7.749 -6.900 0.345 660 HA2 GLY 89 HA2 GLY 89 -5.797 -5.709 0.655 661 HA3 GLY 89 HA3 GLY 89 -4.955 -7.235 0.881 662 H ILE 90 H ILE 90 -6.849 -6.580 -1.975 663 HA ILE 90 HA ILE 90 -4.382 -6.683 -3.558 664 HB ILE 90 HB ILE 90 -7.243 -7.061 -4.451 665 HG12 ILE 90 HG12 ILE 90 -5.048 -9.115 -4.109 666 HG13 ILE 90 HG13 ILE 90 -6.351 -8.853 -2.955 667 HG21 ILE 90 HG21 ILE 90 -4.619 -7.188 -5.900 668 HG22 ILE 90 HG22 ILE 90 -6.046 -8.039 -6.488 669 HG23 ILE 90 HG23 ILE 90 -6.073 -6.284 -6.323 670 HD11 ILE 90 HD11 ILE 90 -7.411 -10.453 -4.078 671 HD12 ILE 90 HD12 ILE 90 -7.707 -9.216 -5.300 672 HD13 ILE 90 HD13 ILE 90 -6.338 -10.315 -5.470 673 H ASP 91 H ASP 91 -3.891 -5.152 -5.107 674 HA ASP 91 HA ASP 91 -5.442 -2.654 -4.938 675 HB2 ASP 91 HB2 ASP 91 -2.621 -3.193 -4.708 676 HB3 ASP 91 HB3 ASP 91 -2.917 -2.104 -6.061 677 H THR 92 H THR 92 -3.239 -4.298 -7.215 678 HA THR 92 HA THR 92 -4.951 -3.342 -9.412 679 HB THR 92 HB THR 92 -2.033 -4.135 -9.482 680 HG1 THR 92 HG1 THR 92 -2.361 -2.081 -8.568 681 HG21 THR 92 HG21 THR 92 -4.038 -3.735 -11.591 682 HG22 THR 92 HG22 THR 92 -2.491 -4.581 -11.642 683 HG23 THR 92 HG23 THR 92 -2.543 -2.828 -11.818 684 H TRP 93 H TRP 93 -6.416 -5.026 -9.488 685 HA TRP 93 HA TRP 93 -5.340 -7.723 -9.931 686 HB2 TRP 93 HB2 TRP 93 -7.582 -8.538 -9.429 687 HB3 TRP 93 HB3 TRP 93 -7.023 -7.476 -8.140 688 HD1 TRP 93 HD1 TRP 93 -9.710 -7.799 -10.791 689 HE1 TRP 93 HE1 TRP 93 -11.432 -5.911 -10.483 690 HE3 TRP 93 HE3 TRP 93 -7.221 -4.989 -7.321 691 HZ2 TRP 93 HZ2 TRP 93 -11.700 -3.543 -8.970 692 HZ3 TRP 93 HZ3 TRP 93 -8.279 -2.926 -6.495 693 HH2 TRP 93 HH2 TRP 93 -10.472 -2.220 -7.304 Start of MODEL 4 1 H1 GLY 1 H GLY 1 1.648 4.818 -7.333 2 HA2 GLY 1 HA2 GLY 1 0.083 3.766 -9.060 3 HA3 GLY 1 HA3 GLY 1 1.188 4.477 -10.226 4 H ALA 2 H ALA 2 1.266 2.385 -7.341 5 HA ALA 2 HA ALA 2 3.459 0.880 -8.595 6 HB1 ALA 2 HB1 ALA 2 2.610 1.121 -5.717 7 HB2 ALA 2 HB2 ALA 2 3.821 -0.029 -6.285 8 HB3 ALA 2 HB3 ALA 2 4.100 1.704 -6.458 9 H MET 3 H MET 3 3.455 -1.471 -8.312 10 HA MET 3 HA MET 3 0.766 -2.622 -8.031 11 HB2 MET 3 HB2 MET 3 1.423 -4.185 -9.946 12 HB3 MET 3 HB3 MET 3 0.983 -2.537 -10.371 13 HG2 MET 3 HG2 MET 3 3.190 -1.934 -10.817 14 HG3 MET 3 HG3 MET 3 3.839 -3.322 -9.947 15 HE1 MET 3 HE1 MET 3 5.094 -4.557 -13.299 16 HE2 MET 3 HE2 MET 3 5.311 -3.034 -12.438 17 HE3 MET 3 HE3 MET 3 5.333 -4.559 -11.551 18 H ALA 4 H ALA 4 0.781 -4.139 -6.521 19 HA ALA 4 HA ALA 4 2.702 -6.235 -6.453 20 HB1 ALA 4 HB1 ALA 4 3.157 -3.893 -4.750 21 HB2 ALA 4 HB2 ALA 4 3.196 -5.439 -3.900 22 HB3 ALA 4 HB3 ALA 4 4.273 -5.157 -5.268 23 H ASN 5 H ASN 5 1.048 -7.678 -6.351 24 HA ASN 5 HA ASN 5 -1.100 -7.365 -4.444 25 HB2 ASN 5 HB2 ASN 5 -0.679 -9.925 -5.915 26 HB3 ASN 5 HB3 ASN 5 -2.174 -9.058 -5.574 27 HD21 ASN 5 HD21 ASN 5 -2.060 -6.730 -6.632 28 HD22 ASN 5 HD22 ASN 5 -1.671 -6.756 -8.315 29 HA PRO 6 HA PRO 6 0.532 -9.715 -1.116 30 HB2 PRO 6 HB2 PRO 6 -1.686 -10.986 -0.204 31 HB3 PRO 6 HB3 PRO 6 -1.412 -9.254 0.017 32 HG2 PRO 6 HG2 PRO 6 -3.090 -10.661 -2.024 33 HG3 PRO 6 HG3 PRO 6 -3.459 -9.203 -1.085 34 HD2 PRO 6 HD2 PRO 6 -2.624 -9.105 -3.659 35 HD3 PRO 6 HD3 PRO 6 -2.226 -7.841 -2.477 36 H LYS 7 H LYS 7 1.499 -11.645 -0.769 37 HA LYS 7 HA LYS 7 1.697 -13.574 -2.735 38 HB2 LYS 7 HB2 LYS 7 2.129 -13.888 0.241 39 HB3 LYS 7 HB3 LYS 7 2.681 -15.030 -0.978 40 HG2 LYS 7 HG2 LYS 7 3.519 -12.143 -0.925 41 HG3 LYS 7 HG3 LYS 7 4.413 -13.434 -0.119 42 HD2 LYS 7 HD2 LYS 7 4.641 -14.590 -2.287 43 HD3 LYS 7 HD3 LYS 7 3.809 -13.244 -3.070 44 HE2 LYS 7 HE2 LYS 7 5.619 -11.899 -2.968 45 HE3 LYS 7 HE3 LYS 7 6.110 -12.507 -1.388 46 HZ1 LYS 7 HZ1 LYS 7 7.765 -13.273 -2.776 47 HZ2 LYS 7 HZ2 LYS 7 6.709 -13.599 -4.057 48 HZ3 LYS 7 HZ3 LYS 7 6.735 -14.613 -2.703 49 H THR 8 H THR 8 -0.545 -13.382 -0.036 50 HA THR 8 HA THR 8 -2.228 -15.381 -1.310 51 HB THR 8 HB THR 8 -2.471 -16.274 1.242 52 HG1 THR 8 HG1 THR 8 -0.734 -15.772 2.326 53 HG21 THR 8 HG21 THR 8 -0.878 -17.193 -1.107 54 HG22 THR 8 HG22 THR 8 -2.310 -17.910 -0.367 55 HG23 THR 8 HG23 THR 8 -0.737 -18.074 0.414 56 H ILE 9 H ILE 9 -4.338 -15.616 -0.057 57 HA ILE 9 HA ILE 9 -5.042 -13.170 1.397 58 HB ILE 9 HB ILE 9 -7.194 -13.065 0.104 59 HG12 ILE 9 HG12 ILE 9 -6.094 -14.320 -2.272 60 HG13 ILE 9 HG13 ILE 9 -6.276 -15.478 -0.959 61 HG21 ILE 9 HG21 ILE 9 -4.866 -12.640 -1.732 62 HG22 ILE 9 HG22 ILE 9 -6.312 -11.654 -1.523 63 HG23 ILE 9 HG23 ILE 9 -5.067 -11.667 -0.274 64 HD11 ILE 9 HD11 ILE 9 -8.593 -15.098 -0.817 65 HD12 ILE 9 HD12 ILE 9 -8.495 -13.656 -1.829 66 HD13 ILE 9 HD13 ILE 9 -8.225 -15.250 -2.535 67 H LYS 10 H LYS 10 -6.164 -13.599 3.177 68 HA LYS 10 HA LYS 10 -6.770 -16.160 4.056 69 HB2 LYS 10 HB2 LYS 10 -7.147 -13.465 4.997 70 HB3 LYS 10 HB3 LYS 10 -8.581 -14.423 5.342 71 HG2 LYS 10 HG2 LYS 10 -7.399 -14.866 7.221 72 HG3 LYS 10 HG3 LYS 10 -6.762 -16.152 6.194 73 HD2 LYS 10 HD2 LYS 10 -4.906 -15.100 7.262 74 HD3 LYS 10 HD3 LYS 10 -4.893 -14.602 5.568 75 HE2 LYS 10 HE2 LYS 10 -5.511 -12.445 6.058 76 HE3 LYS 10 HE3 LYS 10 -6.325 -12.904 7.553 77 HZ1 LYS 10 HZ1 LYS 10 -4.275 -11.685 7.974 78 HZ2 LYS 10 HZ2 LYS 10 -3.383 -12.858 7.144 79 HZ3 LYS 10 HZ3 LYS 10 -4.177 -13.261 8.582 80 H ALA 11 H ALA 11 -8.498 -17.489 3.913 81 HA ALA 11 HA ALA 11 -10.267 -17.359 1.800 82 HB1 ALA 11 HB1 ALA 11 -11.593 -19.073 3.028 83 HB2 ALA 11 HB2 ALA 11 -9.870 -19.434 2.926 84 HB3 ALA 11 HB3 ALA 11 -10.552 -18.807 4.427 85 H ALA 12 H ALA 12 -10.649 -16.139 5.083 86 HA ALA 12 HA ALA 12 -13.358 -15.581 5.120 87 HB1 ALA 12 HB1 ALA 12 -11.818 -15.339 7.044 88 HB2 ALA 12 HB2 ALA 12 -11.196 -13.856 6.319 89 HB3 ALA 12 HB3 ALA 12 -12.882 -13.950 6.825 90 H ALA 13 H ALA 13 -10.734 -13.792 3.609 91 HA ALA 13 HA ALA 13 -12.160 -11.436 3.013 92 HB1 ALA 13 HB1 ALA 13 -10.396 -11.089 1.282 93 HB2 ALA 13 HB2 ALA 13 -9.773 -11.426 2.897 94 HB3 ALA 13 HB3 ALA 13 -9.774 -12.693 1.670 95 H TYR 14 H TYR 14 -11.898 -14.527 1.371 96 HA TYR 14 HA TYR 14 -13.052 -13.720 -1.086 97 HB2 TYR 14 HB2 TYR 14 -11.757 -15.920 -0.375 98 HB3 TYR 14 HB3 TYR 14 -13.389 -16.515 -0.091 99 HD1 TYR 14 HD1 TYR 14 -14.460 -17.574 -1.837 100 HD2 TYR 14 HD2 TYR 14 -11.454 -14.697 -2.725 101 HE1 TYR 14 HE1 TYR 14 -14.699 -18.072 -4.234 102 HE2 TYR 14 HE2 TYR 14 -11.686 -15.186 -5.124 103 HH TYR 14 HH TYR 14 -14.113 -17.485 -6.305 104 H ASN 15 H ASN 15 -14.435 -15.423 1.722 105 HA ASN 15 HA ASN 15 -17.079 -15.472 0.736 106 HB2 ASN 15 HB2 ASN 15 -15.873 -15.792 3.472 107 HB3 ASN 15 HB3 ASN 15 -17.620 -15.776 3.254 108 HD21 ASN 15 HD21 ASN 15 -14.666 -17.369 2.165 109 HD22 ASN 15 HD22 ASN 15 -15.394 -18.908 1.866 110 H GLN 16 H GLN 16 -15.280 -13.130 2.632 111 HA GLN 16 HA GLN 16 -17.554 -11.522 3.289 112 HB2 GLN 16 HB2 GLN 16 -15.510 -11.521 4.661 113 HB3 GLN 16 HB3 GLN 16 -14.612 -10.825 3.319 114 HG2 GLN 16 HG2 GLN 16 -15.041 -8.915 4.429 115 HG3 GLN 16 HG3 GLN 16 -16.544 -9.001 3.512 116 HE21 GLN 16 HE21 GLN 16 -18.406 -9.918 4.578 117 HE22 GLN 16 HE22 GLN 16 -18.567 -9.770 6.291 118 H ALA 17 H ALA 17 -15.179 -11.573 0.709 119 HA ALA 17 HA ALA 17 -15.749 -9.029 -0.381 120 HB1 ALA 17 HB1 ALA 17 -14.773 -10.110 -2.502 121 HB2 ALA 17 HB2 ALA 17 -13.735 -9.960 -1.084 122 HB3 ALA 17 HB3 ALA 17 -14.476 -11.512 -1.473 123 H ARG 18 H ARG 18 -16.901 -12.280 -1.272 124 HA ARG 18 HA ARG 18 -18.668 -11.347 -3.292 125 HB2 ARG 18 HB2 ARG 18 -19.660 -13.671 -3.072 126 HB3 ARG 18 HB3 ARG 18 -17.948 -13.596 -3.466 127 HG2 ARG 18 HG2 ARG 18 -17.431 -14.797 -1.681 128 HG3 ARG 18 HG3 ARG 18 -18.289 -13.676 -0.622 129 HD2 ARG 18 HD2 ARG 18 -19.215 -15.904 -0.402 130 HD3 ARG 18 HD3 ARG 18 -20.398 -14.826 -1.142 131 HE ARG 18 HE ARG 18 -18.806 -16.327 -3.021 132 HH11 ARG 18 HH11 ARG 18 -21.700 -16.263 -1.087 133 HH12 ARG 18 HH12 ARG 18 -22.542 -17.412 -2.074 134 HH21 ARG 18 HH21 ARG 18 -19.904 -17.840 -4.328 135 HH22 ARG 18 HH22 ARG 18 -21.519 -18.309 -3.917 136 H SER 19 H SER 19 -18.987 -11.959 0.142 137 HA SER 19 HA SER 19 -21.760 -12.017 0.380 138 HB2 SER 19 HB2 SER 19 -20.850 -12.523 2.405 139 HB3 SER 19 HB3 SER 19 -19.489 -11.424 2.184 140 HG SER 19 HG SER 19 -21.253 -10.921 3.811 141 H THR 20 H THR 20 -19.560 -9.228 0.567 142 HA THR 20 HA THR 20 -21.473 -7.253 1.015 143 HB THR 20 HB THR 20 -18.942 -6.906 -0.601 144 HG1 THR 20 HG1 THR 20 -19.109 -6.405 2.165 145 HG21 THR 20 HG21 THR 20 -19.236 -4.680 -0.423 146 HG22 THR 20 HG22 THR 20 -19.848 -4.796 1.227 147 HG23 THR 20 HG23 THR 20 -20.925 -5.093 -0.137 148 H LEU 21 H LEU 21 -20.269 -8.609 -2.025 149 HA LEU 21 HA LEU 21 -21.703 -6.845 -3.720 150 HB2 LEU 21 HB2 LEU 21 -20.840 -9.639 -4.416 151 HB3 LEU 21 HB3 LEU 21 -21.069 -8.271 -5.504 152 HG LEU 21 HG LEU 21 -18.956 -8.156 -3.389 153 HD11 LEU 21 HD11 LEU 21 -19.063 -10.116 -5.460 154 HD12 LEU 21 HD12 LEU 21 -17.797 -9.825 -4.268 155 HD13 LEU 21 HD13 LEU 21 -17.768 -8.971 -5.811 156 HD21 LEU 21 HD21 LEU 21 -17.915 -6.629 -4.895 157 HD22 LEU 21 HD22 LEU 21 -19.614 -6.170 -4.766 158 HD23 LEU 21 HD23 LEU 21 -19.041 -7.044 -6.188 159 H ALA 22 H ALA 22 -22.508 -9.827 -2.105 160 HA ALA 22 HA ALA 22 -24.680 -10.713 -3.568 161 HB1 ALA 22 HB1 ALA 22 -25.163 -10.917 -0.716 162 HB2 ALA 22 HB2 ALA 22 -24.880 -12.185 -1.909 163 HB3 ALA 22 HB3 ALA 22 -23.514 -11.370 -1.147 164 H ASP 23 H ASP 23 -24.404 -7.931 -1.516 165 HA ASP 23 HA ASP 23 -27.080 -7.457 -0.891 166 HB2 ASP 23 HB2 ASP 23 -24.650 -6.102 -0.573 167 HB3 ASP 23 HB3 ASP 23 -25.677 -4.994 -1.479 168 H ALA 24 H ALA 24 -25.269 -6.836 -3.828 169 HA ALA 24 HA ALA 24 -27.687 -5.690 -5.056 170 HB1 ALA 24 HB1 ALA 24 -26.336 -4.127 -5.861 171 HB2 ALA 24 HB2 ALA 24 -24.929 -4.946 -5.182 172 HB3 ALA 24 HB3 ALA 24 -25.501 -5.367 -6.797 173 H GLY 25 H GLY 25 -25.482 -8.346 -5.114 174 HA2 GLY 25 HA2 GLY 25 -26.605 -10.349 -6.188 175 HA3 GLY 25 HA3 GLY 25 -26.711 -9.326 -7.613 176 H SER 26 H SER 26 -25.370 -11.903 -7.271 177 HA SER 26 HA SER 26 -22.631 -11.056 -7.954 178 HB2 SER 26 HB2 SER 26 -22.404 -13.705 -7.172 179 HB3 SER 26 HB3 SER 26 -21.963 -12.300 -6.201 180 HG SER 26 HG SER 26 -24.508 -13.560 -6.228 181 H ARG 27 H ARG 27 -22.212 -11.377 -10.026 182 HA ARG 27 HA ARG 27 -23.849 -13.087 -11.651 183 HB2 ARG 27 HB2 ARG 27 -22.762 -10.864 -12.335 184 HB3 ARG 27 HB3 ARG 27 -21.275 -11.787 -12.514 185 HG2 ARG 27 HG2 ARG 27 -23.364 -13.150 -13.887 186 HG3 ARG 27 HG3 ARG 27 -23.366 -11.455 -14.376 187 HD2 ARG 27 HD2 ARG 27 -21.097 -11.561 -15.063 188 HD3 ARG 27 HD3 ARG 27 -20.872 -13.135 -14.302 189 HE ARG 27 HE ARG 27 -21.785 -14.126 -16.155 190 HH11 ARG 27 HH11 ARG 27 -22.464 -10.713 -16.224 191 HH12 ARG 27 HH12 ARG 27 -23.101 -10.739 -17.835 192 HH21 ARG 27 HH21 ARG 27 -22.622 -14.174 -18.277 193 HH22 ARG 27 HH22 ARG 27 -23.192 -12.709 -19.001 194 H THR 28 H THR 28 -20.330 -13.002 -11.057 195 HA THR 28 HA THR 28 -19.996 -15.678 -12.053 196 HB THR 28 HB THR 28 -17.687 -15.399 -11.735 197 HG1 THR 28 HG1 THR 28 -18.374 -13.392 -9.832 198 HG21 THR 28 HG21 THR 28 -17.232 -13.509 -12.963 199 HG22 THR 28 HG22 THR 28 -18.357 -12.509 -12.044 200 HG23 THR 28 HG23 THR 28 -18.967 -13.654 -13.238 201 H ALA 29 H ALA 29 -19.967 -14.120 -8.876 202 HA ALA 29 HA ALA 29 -19.155 -16.303 -7.339 203 HB1 ALA 29 HB1 ALA 29 -19.253 -14.695 -5.815 204 HB2 ALA 29 HB2 ALA 29 -20.259 -13.698 -6.867 205 HB3 ALA 29 HB3 ALA 29 -21.007 -14.877 -5.790 206 H ALA 30 H ALA 30 -22.238 -15.549 -8.778 207 HA ALA 30 HA ALA 30 -23.856 -17.272 -7.235 208 HB1 ALA 30 HB1 ALA 30 -25.268 -17.207 -9.449 209 HB2 ALA 30 HB2 ALA 30 -25.117 -15.777 -8.428 210 HB3 ALA 30 HB3 ALA 30 -24.128 -15.932 -9.880 211 H LYS 31 H LYS 31 -22.060 -17.752 -10.248 212 HA LYS 31 HA LYS 31 -22.941 -20.482 -10.524 213 HB2 LYS 31 HB2 LYS 31 -22.470 -19.193 -12.523 214 HB3 LYS 31 HB3 LYS 31 -20.824 -18.890 -11.982 215 HG2 LYS 31 HG2 LYS 31 -21.408 -21.721 -12.087 216 HG3 LYS 31 HG3 LYS 31 -21.678 -20.933 -13.643 217 HD2 LYS 31 HD2 LYS 31 -19.465 -20.236 -13.813 218 HD3 LYS 31 HD3 LYS 31 -19.178 -20.403 -12.079 219 HE2 LYS 31 HE2 LYS 31 -18.649 -22.578 -12.258 220 HE3 LYS 31 HE3 LYS 31 -19.938 -22.894 -13.418 221 HZ1 LYS 31 HZ1 LYS 31 -17.185 -22.535 -13.898 222 HZ2 LYS 31 HZ2 LYS 31 -18.046 -21.329 -14.713 223 HZ3 LYS 31 HZ3 LYS 31 -18.403 -22.958 -14.993 224 H SER 32 H SER 32 -20.286 -18.807 -9.058 225 HA SER 32 HA SER 32 -18.829 -21.321 -8.657 226 HB2 SER 32 HB2 SER 32 -17.027 -19.764 -7.754 227 HB3 SER 32 HB3 SER 32 -17.388 -19.610 -9.473 228 HG SER 32 HG SER 32 -17.623 -17.577 -8.968 229 H HIS 33 H HIS 33 -17.537 -21.036 -6.369 230 HA HIS 33 HA HIS 33 -19.517 -20.388 -4.303 231 HB2 HIS 33 HB2 HIS 33 -18.255 -23.028 -4.851 232 HB3 HIS 33 HB3 HIS 33 -18.461 -22.560 -3.165 233 HD1 HIS 33 HD1 HIS 33 -20.551 -23.461 -2.230 234 HD2 HIS 33 HD2 HIS 33 -20.947 -22.554 -6.265 235 HE1 HIS 33 HE1 HIS 33 -22.917 -24.069 -2.826 236 HA PRO 34 HA PRO 34 -16.202 -18.569 -2.081 237 HB2 PRO 34 HB2 PRO 34 -16.836 -19.163 0.491 238 HB3 PRO 34 HB3 PRO 34 -17.732 -17.982 -0.471 239 HG2 PRO 34 HG2 PRO 34 -18.399 -20.839 0.124 240 HG3 PRO 34 HG3 PRO 34 -19.462 -19.419 0.121 241 HD2 PRO 34 HD2 PRO 34 -19.366 -21.171 -1.941 242 HD3 PRO 34 HD3 PRO 34 -19.695 -19.441 -2.172 243 H ILE 35 H ILE 35 -14.814 -19.187 0.082 244 HA ILE 35 HA ILE 35 -13.673 -21.846 -0.483 245 HB ILE 35 HB ILE 35 -12.245 -19.376 0.508 246 HG12 ILE 35 HG12 ILE 35 -11.967 -20.857 -2.115 247 HG13 ILE 35 HG13 ILE 35 -12.877 -19.365 -1.907 248 HG21 ILE 35 HG21 ILE 35 -10.201 -20.738 0.262 249 HG22 ILE 35 HG22 ILE 35 -11.291 -21.360 1.500 250 HG23 ILE 35 HG23 ILE 35 -11.209 -22.146 -0.077 251 HD11 ILE 35 HD11 ILE 35 -10.242 -19.019 -0.867 252 HD12 ILE 35 HD12 ILE 35 -10.156 -19.662 -2.507 253 HD13 ILE 35 HD13 ILE 35 -11.043 -18.171 -2.189 254 H HIS 36 H HIS 36 -13.705 -23.272 1.121 255 HA HIS 36 HA HIS 36 -13.744 -22.316 3.894 256 HB2 HIS 36 HB2 HIS 36 -16.042 -23.155 2.715 257 HB3 HIS 36 HB3 HIS 36 -15.433 -24.678 3.355 258 HD1 HIS 36 HD1 HIS 36 -16.743 -21.342 4.427 259 HD2 HIS 36 HD2 HIS 36 -15.483 -24.912 6.138 260 HE1 HIS 36 HE1 HIS 36 -17.448 -21.218 6.838 261 H GLY 37 H GLY 37 -13.161 -23.991 5.467 262 HA2 GLY 37 HA2 GLY 37 -11.654 -25.558 6.210 263 HA3 GLY 37 HA3 GLY 37 -12.255 -26.539 4.883 264 H LYS 38 H LYS 38 -10.569 -23.475 4.521 265 HA LYS 38 HA LYS 38 -8.219 -24.926 3.507 266 HB2 LYS 38 HB2 LYS 38 -9.611 -22.580 2.206 267 HB3 LYS 38 HB3 LYS 38 -8.030 -23.180 1.722 268 HG2 LYS 38 HG2 LYS 38 -10.268 -25.122 1.811 269 HG3 LYS 38 HG3 LYS 38 -10.258 -23.929 0.510 270 HD2 LYS 38 HD2 LYS 38 -8.036 -24.639 -0.161 271 HD3 LYS 38 HD3 LYS 38 -7.970 -25.777 1.187 272 HE2 LYS 38 HE2 LYS 38 -10.273 -26.544 -0.006 273 HE3 LYS 38 HE3 LYS 38 -9.359 -25.976 -1.403 274 HZ1 LYS 38 HZ1 LYS 38 -7.954 -27.710 0.471 275 HZ2 LYS 38 HZ2 LYS 38 -7.861 -27.640 -1.216 276 HZ3 LYS 38 HZ3 LYS 38 -9.157 -28.434 -0.474 277 H THR 39 H THR 39 -6.284 -24.136 4.124 278 HA THR 39 HA THR 39 -6.089 -22.347 6.265 279 HB THR 39 HB THR 39 -3.769 -22.775 4.414 280 HG1 THR 39 HG1 THR 39 -3.940 -24.862 4.653 281 HG21 THR 39 HG21 THR 39 -3.376 -21.427 6.380 282 HG22 THR 39 HG22 THR 39 -2.572 -22.984 6.582 283 HG23 THR 39 HG23 THR 39 -4.093 -22.663 7.414 284 H ASP 40 H ASP 40 -5.224 -21.855 2.841 285 HA ASP 40 HA ASP 40 -6.185 -19.209 2.758 286 HB2 ASP 40 HB2 ASP 40 -3.776 -18.227 2.382 287 HB3 ASP 40 HB3 ASP 40 -4.435 -18.365 4.010 288 H VAL 41 H VAL 41 -6.161 -18.365 0.683 289 HA VAL 41 HA VAL 41 -5.085 -20.174 -1.380 290 HB VAL 41 HB VAL 41 -6.820 -19.051 -2.873 291 HG11 VAL 41 HG11 VAL 41 -6.929 -21.287 -1.287 292 HG12 VAL 41 HG12 VAL 41 -8.427 -20.448 -0.880 293 HG13 VAL 41 HG13 VAL 41 -8.080 -20.871 -2.557 294 HG21 VAL 41 HG21 VAL 41 -7.145 -17.282 -0.919 295 HG22 VAL 41 HG22 VAL 41 -8.451 -17.705 -2.025 296 HG23 VAL 41 HG23 VAL 41 -8.380 -18.440 -0.424 297 HA PRO 42 HA PRO 42 -2.508 -16.998 -2.975 298 HB2 PRO 42 HB2 PRO 42 -2.586 -17.531 -5.636 299 HB3 PRO 42 HB3 PRO 42 -1.723 -18.550 -4.477 300 HG2 PRO 42 HG2 PRO 42 -4.433 -18.938 -5.691 301 HG3 PRO 42 HG3 PRO 42 -3.145 -20.128 -5.424 302 HD2 PRO 42 HD2 PRO 42 -5.285 -19.903 -3.780 303 HD3 PRO 42 HD3 PRO 42 -3.681 -20.396 -3.198 304 H VAL 43 H VAL 43 -2.493 -15.010 -4.082 305 HA VAL 43 HA VAL 43 -4.809 -13.514 -4.067 306 HB VAL 43 HB VAL 43 -2.677 -12.413 -4.113 307 HG11 VAL 43 HG11 VAL 43 -1.924 -12.621 -6.855 308 HG12 VAL 43 HG12 VAL 43 -1.014 -13.091 -5.418 309 HG13 VAL 43 HG13 VAL 43 -2.104 -14.244 -6.189 310 HG21 VAL 43 HG21 VAL 43 -4.847 -11.591 -5.537 311 HG22 VAL 43 HG22 VAL 43 -3.417 -10.607 -5.224 312 HG23 VAL 43 HG23 VAL 43 -3.568 -11.484 -6.747 313 H SER 44 H SER 44 -3.506 -15.524 -6.616 314 HA SER 44 HA SER 44 -4.931 -14.576 -8.805 315 HB2 SER 44 HB2 SER 44 -3.214 -16.691 -8.329 316 HB3 SER 44 HB3 SER 44 -4.727 -17.493 -8.750 317 HG SER 44 HG SER 44 -4.727 -16.475 -10.701 318 H TYR 45 H TYR 45 -5.948 -16.633 -6.163 319 HA TYR 45 HA TYR 45 -8.419 -17.428 -7.365 320 HB2 TYR 45 HB2 TYR 45 -7.042 -18.503 -5.388 321 HB3 TYR 45 HB3 TYR 45 -8.024 -17.427 -4.400 322 HD1 TYR 45 HD1 TYR 45 -7.919 -20.527 -6.210 323 HD2 TYR 45 HD2 TYR 45 -10.545 -17.622 -4.545 324 HE1 TYR 45 HE1 TYR 45 -9.755 -22.163 -6.267 325 HE2 TYR 45 HE2 TYR 45 -12.387 -19.251 -4.596 326 HH TYR 45 HH TYR 45 -12.096 -22.355 -4.756 327 H GLY 46 H GLY 46 -7.543 -15.086 -4.829 328 HA2 GLY 46 HA2 GLY 46 -10.160 -14.118 -4.403 329 HA3 GLY 46 HA3 GLY 46 -8.675 -13.279 -3.979 330 H THR 47 H THR 47 -7.604 -13.099 -6.613 331 HA THR 47 HA THR 47 -8.695 -10.681 -7.462 332 HB THR 47 HB THR 47 -7.415 -11.045 -9.580 333 HG1 THR 47 HG1 THR 47 -7.328 -13.166 -9.973 334 HG21 THR 47 HG21 THR 47 -5.208 -11.667 -8.069 335 HG22 THR 47 HG22 THR 47 -6.343 -11.068 -6.860 336 HG23 THR 47 HG23 THR 47 -5.909 -10.059 -8.239 337 H SER 48 H SER 48 -9.484 -13.970 -8.357 338 HA SER 48 HA SER 48 -10.917 -13.489 -10.708 339 HB2 SER 48 HB2 SER 48 -10.259 -15.721 -9.325 340 HB3 SER 48 HB3 SER 48 -11.971 -15.601 -8.920 341 HG SER 48 HG SER 48 -12.498 -15.800 -11.029 342 H LEU 49 H LEU 49 -11.948 -13.433 -7.326 343 HA LEU 49 HA LEU 49 -14.694 -12.913 -7.944 344 HB2 LEU 49 HB2 LEU 49 -13.577 -13.921 -5.797 345 HB3 LEU 49 HB3 LEU 49 -13.476 -12.231 -5.308 346 HG LEU 49 HG LEU 49 -16.123 -13.216 -6.210 347 HD11 LEU 49 HD11 LEU 49 -15.967 -13.739 -3.442 348 HD12 LEU 49 HD12 LEU 49 -14.634 -14.599 -4.211 349 HD13 LEU 49 HD13 LEU 49 -16.289 -14.875 -4.753 350 HD21 LEU 49 HD21 LEU 49 -15.552 -10.875 -5.418 351 HD22 LEU 49 HD22 LEU 49 -15.377 -11.570 -3.807 352 HD23 LEU 49 HD23 LEU 49 -16.929 -11.655 -4.640 353 H LEU 50 H LEU 50 -11.887 -10.960 -7.120 354 HA LEU 50 HA LEU 50 -13.257 -8.519 -6.728 355 HB2 LEU 50 HB2 LEU 50 -10.681 -9.382 -6.435 356 HB3 LEU 50 HB3 LEU 50 -10.554 -8.322 -7.837 357 HG LEU 50 HG LEU 50 -11.531 -7.572 -5.083 358 HD11 LEU 50 HD11 LEU 50 -8.962 -7.431 -6.470 359 HD12 LEU 50 HD12 LEU 50 -9.333 -7.336 -4.748 360 HD13 LEU 50 HD13 LEU 50 -9.482 -5.901 -5.763 361 HD21 LEU 50 HD21 LEU 50 -12.774 -6.079 -6.214 362 HD22 LEU 50 HD22 LEU 50 -11.852 -6.280 -7.704 363 HD23 LEU 50 HD23 LEU 50 -11.238 -5.238 -6.420 364 H ALA 51 H ALA 51 -11.524 -9.821 -9.552 365 HA ALA 51 HA ALA 51 -12.162 -7.650 -11.261 366 HB1 ALA 51 HB1 ALA 51 -11.721 -9.822 -12.918 367 HB2 ALA 51 HB2 ALA 51 -10.508 -8.679 -12.341 368 HB3 ALA 51 HB3 ALA 51 -10.780 -10.189 -11.472 369 H ALA 52 H ALA 52 -13.742 -10.697 -10.522 370 HA ALA 52 HA ALA 52 -15.570 -10.798 -12.631 371 HB1 ALA 52 HB1 ALA 52 -15.405 -11.968 -9.921 372 HB2 ALA 52 HB2 ALA 52 -16.996 -11.951 -10.683 373 HB3 ALA 52 HB3 ALA 52 -15.643 -12.749 -11.485 374 H ALA 53 H ALA 53 -15.897 -9.316 -9.414 375 HA ALA 53 HA ALA 53 -18.516 -8.302 -9.909 376 HB1 ALA 53 HB1 ALA 53 -17.440 -6.762 -7.873 377 HB2 ALA 53 HB2 ALA 53 -18.383 -8.241 -7.688 378 HB3 ALA 53 HB3 ALA 53 -16.622 -8.316 -7.719 379 H ARG 54 H ARG 54 -15.267 -6.883 -9.978 380 HA ARG 54 HA ARG 54 -15.950 -4.232 -10.433 381 HB2 ARG 54 HB2 ARG 54 -13.697 -4.522 -10.025 382 HB3 ARG 54 HB3 ARG 54 -13.574 -5.912 -11.095 383 HG2 ARG 54 HG2 ARG 54 -13.294 -4.625 -12.966 384 HG3 ARG 54 HG3 ARG 54 -14.156 -3.247 -12.280 385 HD2 ARG 54 HD2 ARG 54 -12.280 -2.367 -11.447 386 HD3 ARG 54 HD3 ARG 54 -11.758 -3.914 -10.783 387 HE ARG 54 HE ARG 54 -11.357 -4.026 -13.527 388 HH11 ARG 54 HH11 ARG 54 -10.194 -2.186 -10.810 389 HH12 ARG 54 HH12 ARG 54 -8.636 -1.892 -11.510 390 HH21 ARG 54 HH21 ARG 54 -9.310 -3.645 -14.459 391 HH22 ARG 54 HH22 ARG 54 -8.135 -2.722 -13.585 392 H ASP 55 H ASP 55 -15.278 -6.771 -12.837 393 HA ASP 55 HA ASP 55 -15.897 -5.137 -15.076 394 HB2 ASP 55 HB2 ASP 55 -14.780 -7.657 -14.685 395 HB3 ASP 55 HB3 ASP 55 -16.285 -7.982 -15.540 396 H GLU 56 H GLU 56 -17.747 -7.452 -13.157 397 HA GLU 56 HA GLU 56 -20.032 -7.595 -14.760 398 HB2 GLU 56 HB2 GLU 56 -19.615 -9.109 -12.875 399 HB3 GLU 56 HB3 GLU 56 -19.827 -7.777 -11.749 400 HG2 GLU 56 HG2 GLU 56 -22.159 -7.619 -13.047 401 HG3 GLU 56 HG3 GLU 56 -21.835 -9.341 -13.238 402 H PHE 57 H PHE 57 -19.340 -5.453 -12.002 403 HA PHE 57 HA PHE 57 -21.742 -4.016 -12.078 404 HB2 PHE 57 HB2 PHE 57 -18.999 -3.161 -11.134 405 HB3 PHE 57 HB3 PHE 57 -20.481 -2.260 -10.828 406 HD1 PHE 57 HD1 PHE 57 -18.349 -3.748 -8.968 407 HD2 PHE 57 HD2 PHE 57 -22.318 -4.558 -10.275 408 HE1 PHE 57 HE1 PHE 57 -18.738 -5.090 -6.942 409 HE2 PHE 57 HE2 PHE 57 -22.714 -5.899 -8.251 410 HZ PHE 57 HZ PHE 57 -20.924 -6.166 -6.581 411 H ARG 58 H ARG 58 -18.914 -3.839 -14.058 412 HA ARG 58 HA ARG 58 -19.056 -1.234 -15.021 413 HB2 ARG 58 HB2 ARG 58 -17.276 -3.024 -15.462 414 HB3 ARG 58 HB3 ARG 58 -18.334 -3.595 -16.746 415 HG2 ARG 58 HG2 ARG 58 -18.187 -0.925 -17.285 416 HG3 ARG 58 HG3 ARG 58 -16.575 -1.267 -16.654 417 HD2 ARG 58 HD2 ARG 58 -17.924 -2.835 -18.848 418 HD3 ARG 58 HD3 ARG 58 -16.769 -1.530 -19.119 419 HE ARG 58 HE ARG 58 -15.552 -3.359 -17.422 420 HH11 ARG 58 HH11 ARG 58 -16.794 -3.266 -20.673 421 HH12 ARG 58 HH12 ARG 58 -15.683 -4.454 -21.271 422 HH21 ARG 58 HH21 ARG 58 -14.084 -4.924 -18.197 423 HH22 ARG 58 HH22 ARG 58 -14.143 -5.397 -19.861 424 H GLN 59 H GLN 59 -20.933 -4.071 -15.864 425 HA GLN 59 HA GLN 59 -22.145 -2.932 -18.185 426 HB2 GLN 59 HB2 GLN 59 -23.367 -4.902 -18.348 427 HB3 GLN 59 HB3 GLN 59 -21.906 -5.428 -17.523 428 HG2 GLN 59 HG2 GLN 59 -23.481 -6.454 -16.244 429 HG3 GLN 59 HG3 GLN 59 -23.325 -4.929 -15.374 430 HE21 GLN 59 HE21 GLN 59 -25.262 -4.428 -14.634 431 HE22 GLN 59 HE22 GLN 59 -26.728 -4.434 -15.547 432 H ALA 60 H ALA 60 -22.882 -2.986 -14.773 433 HA ALA 60 HA ALA 60 -25.586 -2.192 -14.923 434 HB1 ALA 60 HB1 ALA 60 -25.254 -1.459 -12.563 435 HB2 ALA 60 HB2 ALA 60 -24.744 -3.117 -12.885 436 HB3 ALA 60 HB3 ALA 60 -23.540 -1.837 -12.741 437 H ASP 61 H ASP 61 -22.597 -0.311 -14.507 438 HA ASP 61 HA ASP 61 -24.106 2.169 -14.833 439 HB2 ASP 61 HB2 ASP 61 -22.199 3.309 -14.019 440 HB3 ASP 61 HB3 ASP 61 -22.317 1.848 -13.041 441 H LYS 62 H LYS 62 -23.813 0.360 -17.069 442 HA LYS 62 HA LYS 62 -21.819 1.448 -18.831 443 HB2 LYS 62 HB2 LYS 62 -22.592 -0.904 -18.978 444 HB3 LYS 62 HB3 LYS 62 -24.181 -0.330 -19.465 445 HG2 LYS 62 HG2 LYS 62 -23.414 0.409 -21.536 446 HG3 LYS 62 HG3 LYS 62 -21.728 0.409 -21.015 447 HD2 LYS 62 HD2 LYS 62 -21.898 -1.484 -22.374 448 HD3 LYS 62 HD3 LYS 62 -22.023 -2.127 -20.735 449 HE2 LYS 62 HE2 LYS 62 -24.314 -2.501 -20.927 450 HE3 LYS 62 HE3 LYS 62 -24.479 -1.386 -22.283 451 HZ1 LYS 62 HZ1 LYS 62 -24.537 -3.899 -22.732 452 HZ2 LYS 62 HZ2 LYS 62 -22.857 -3.833 -22.550 453 HZ3 LYS 62 HZ3 LYS 62 -23.613 -2.921 -23.757 454 H LYS 63 H LYS 63 -25.243 1.921 -18.248 455 HA LYS 63 HA LYS 63 -25.736 3.480 -20.584 456 HB2 LYS 63 HB2 LYS 63 -27.596 2.402 -19.530 457 HB3 LYS 63 HB3 LYS 63 -27.239 3.164 -17.985 458 HG2 LYS 63 HG2 LYS 63 -27.712 5.049 -20.175 459 HG3 LYS 63 HG3 LYS 63 -29.097 4.033 -19.767 460 HD2 LYS 63 HD2 LYS 63 -27.512 5.605 -17.741 461 HD3 LYS 63 HD3 LYS 63 -28.980 6.202 -18.518 462 HE2 LYS 63 HE2 LYS 63 -30.050 4.015 -17.674 463 HE3 LYS 63 HE3 LYS 63 -28.651 3.916 -16.605 464 HZ1 LYS 63 HZ1 LYS 63 -29.476 6.453 -16.244 465 HZ2 LYS 63 HZ2 LYS 63 -29.893 5.154 -15.244 466 HZ3 LYS 63 HZ3 LYS 63 -30.949 5.651 -16.469 467 H LEU 64 H LEU 64 -24.366 4.138 -17.495 468 HA LEU 64 HA LEU 64 -24.824 6.989 -17.615 469 HB2 LEU 64 HB2 LEU 64 -22.842 5.694 -15.794 470 HB3 LEU 64 HB3 LEU 64 -23.846 7.116 -15.519 471 HG LEU 64 HG LEU 64 -24.908 4.296 -15.631 472 HD11 LEU 64 HD11 LEU 64 -24.663 5.850 -13.103 473 HD12 LEU 64 HD12 LEU 64 -23.251 4.996 -13.723 474 HD13 LEU 64 HD13 LEU 64 -24.729 4.106 -13.355 475 HD21 LEU 64 HD21 LEU 64 -26.196 6.755 -15.825 476 HD22 LEU 64 HD22 LEU 64 -26.429 6.254 -14.150 477 HD23 LEU 64 HD23 LEU 64 -26.935 5.194 -15.467 478 HA PRO 65 HA PRO 65 -21.232 8.168 -19.847 479 HB2 PRO 65 HB2 PRO 65 -20.641 10.539 -18.665 480 HB3 PRO 65 HB3 PRO 65 -22.023 10.322 -19.744 481 HG2 PRO 65 HG2 PRO 65 -21.942 10.348 -16.752 482 HG3 PRO 65 HG3 PRO 65 -23.111 11.111 -17.846 483 HD2 PRO 65 HD2 PRO 65 -23.618 8.777 -16.571 484 HD3 PRO 65 HD3 PRO 65 -24.270 9.147 -18.180 485 H ALA 66 H ALA 66 -18.960 8.379 -19.724 486 HA ALA 66 HA ALA 66 -17.697 6.876 -17.727 487 HB1 ALA 66 HB1 ALA 66 -16.954 8.157 -20.159 488 HB2 ALA 66 HB2 ALA 66 -15.765 8.560 -18.920 489 HB3 ALA 66 HB3 ALA 66 -16.120 6.872 -19.285 490 H LYS 67 H LYS 67 -18.336 10.296 -17.990 491 HA LYS 67 HA LYS 67 -16.499 11.162 -16.006 492 HB2 LYS 67 HB2 LYS 67 -17.588 13.272 -16.130 493 HB3 LYS 67 HB3 LYS 67 -17.603 12.608 -17.759 494 HG2 LYS 67 HG2 LYS 67 -19.970 11.696 -16.853 495 HG3 LYS 67 HG3 LYS 67 -19.830 13.195 -15.930 496 HD2 LYS 67 HD2 LYS 67 -19.570 12.957 -18.928 497 HD3 LYS 67 HD3 LYS 67 -21.005 13.521 -18.069 498 HE2 LYS 67 HE2 LYS 67 -18.998 15.085 -17.023 499 HE3 LYS 67 HE3 LYS 67 -18.531 14.924 -18.715 500 HZ1 LYS 67 HZ1 LYS 67 -20.553 16.530 -17.598 501 HZ2 LYS 67 HZ2 LYS 67 -21.265 15.423 -18.659 502 HZ3 LYS 67 HZ3 LYS 67 -20.037 16.449 -19.207 503 H ASP 68 H ASP 68 -19.730 9.864 -15.913 504 HA ASP 68 HA ASP 68 -20.026 10.518 -13.083 505 HB2 ASP 68 HB2 ASP 68 -21.897 9.260 -15.094 506 HB3 ASP 68 HB3 ASP 68 -22.287 9.425 -13.384 507 H LYS 69 H LYS 69 -17.969 8.659 -13.932 508 HA LYS 69 HA LYS 69 -18.549 6.538 -12.087 509 HB2 LYS 69 HB2 LYS 69 -18.256 4.685 -13.634 510 HB3 LYS 69 HB3 LYS 69 -19.624 5.673 -14.130 511 HG2 LYS 69 HG2 LYS 69 -18.618 6.357 -16.040 512 HG3 LYS 69 HG3 LYS 69 -17.000 6.318 -15.334 513 HD2 LYS 69 HD2 LYS 69 -16.792 4.492 -16.656 514 HD3 LYS 69 HD3 LYS 69 -17.572 3.696 -15.288 515 HE2 LYS 69 HE2 LYS 69 -19.765 4.080 -16.395 516 HE3 LYS 69 HE3 LYS 69 -18.903 4.721 -17.793 517 HZ1 LYS 69 HZ1 LYS 69 -19.286 1.988 -16.966 518 HZ2 LYS 69 HZ2 LYS 69 -17.689 2.347 -17.393 519 HZ3 LYS 69 HZ3 LYS 69 -18.941 2.617 -18.498 520 H LYS 70 H LYS 70 -16.698 5.431 -11.410 521 HA LYS 70 HA LYS 70 -14.208 6.807 -12.027 522 HB2 LYS 70 HB2 LYS 70 -14.635 6.502 -9.696 523 HB3 LYS 70 HB3 LYS 70 -14.980 4.792 -9.917 524 HG2 LYS 70 HG2 LYS 70 -12.794 5.154 -8.895 525 HG3 LYS 70 HG3 LYS 70 -12.655 4.368 -10.469 526 HD2 LYS 70 HD2 LYS 70 -10.965 6.099 -10.232 527 HD3 LYS 70 HD3 LYS 70 -12.122 6.539 -11.491 528 HE2 LYS 70 HE2 LYS 70 -13.136 8.162 -10.154 529 HE3 LYS 70 HE3 LYS 70 -12.469 7.487 -8.668 530 HZ1 LYS 70 HZ1 LYS 70 -10.686 8.767 -8.859 531 HZ2 LYS 70 HZ2 LYS 70 -11.442 9.569 -10.143 532 HZ3 LYS 70 HZ3 LYS 70 -10.402 8.271 -10.451 533 H SER 71 H SER 71 -12.990 6.088 -13.636 534 HA SER 71 HA SER 71 -11.773 4.690 -14.963 535 HB2 SER 71 HB2 SER 71 -12.080 3.225 -12.520 536 HB3 SER 71 HB3 SER 71 -12.222 2.107 -13.877 537 HG SER 71 HG SER 71 -10.104 2.202 -13.715 538 H ASP 72 H ASP 72 -14.286 2.417 -13.894 539 HA ASP 72 HA ASP 72 -15.781 2.698 -16.336 540 HB2 ASP 72 HB2 ASP 72 -13.639 0.945 -16.432 541 HB3 ASP 72 HB3 ASP 72 -15.007 -0.106 -16.074 542 H MET 73 H MET 73 -16.221 2.863 -13.456 543 HA MET 73 HA MET 73 -18.565 1.159 -13.337 544 HB2 MET 73 HB2 MET 73 -18.020 0.255 -11.121 545 HB3 MET 73 HB3 MET 73 -16.854 -0.263 -12.331 546 HG2 MET 73 HG2 MET 73 -15.775 2.071 -11.299 547 HG3 MET 73 HG3 MET 73 -16.455 1.242 -9.900 548 HE1 MET 73 HE1 MET 73 -15.935 -2.003 -10.964 549 HE2 MET 73 HE2 MET 73 -14.629 -2.106 -9.783 550 HE3 MET 73 HE3 MET 73 -16.094 -1.199 -9.402 551 H SER 74 H SER 74 -20.185 1.974 -12.038 552 HA SER 74 HA SER 74 -20.153 4.743 -11.527 553 HB2 SER 74 HB2 SER 74 -22.331 4.168 -11.751 554 HB3 SER 74 HB3 SER 74 -22.050 2.521 -11.185 555 HG SER 74 HG SER 74 -22.870 3.142 -9.366 556 H ILE 75 H ILE 75 -20.554 5.783 -9.427 557 HA ILE 75 HA ILE 75 -18.544 5.157 -7.561 558 HB ILE 75 HB ILE 75 -20.970 6.922 -7.208 559 HG12 ILE 75 HG12 ILE 75 -18.865 8.599 -7.473 560 HG13 ILE 75 HG13 ILE 75 -18.325 7.271 -8.494 561 HG21 ILE 75 HG21 ILE 75 -18.475 6.592 -5.561 562 HG22 ILE 75 HG22 ILE 75 -19.516 8.010 -5.454 563 HG23 ILE 75 HG23 ILE 75 -20.153 6.417 -5.046 564 HD11 ILE 75 HD11 ILE 75 -19.773 9.286 -9.418 565 HD12 ILE 75 HD12 ILE 75 -19.918 7.648 -10.057 566 HD13 ILE 75 HD13 ILE 75 -21.091 8.244 -8.883 567 H ALA 76 H ALA 76 -21.960 4.368 -7.704 568 HA ALA 76 HA ALA 76 -22.252 3.457 -5.046 569 HB1 ALA 76 HB1 ALA 76 -23.896 3.726 -7.301 570 HB2 ALA 76 HB2 ALA 76 -23.966 2.023 -6.846 571 HB3 ALA 76 HB3 ALA 76 -24.375 3.269 -5.666 572 H HIS 77 H HIS 77 -21.484 1.762 -8.070 573 HA HIS 77 HA HIS 77 -21.257 -0.795 -6.790 574 HB2 HIS 77 HB2 HIS 77 -20.181 -0.012 -9.502 575 HB3 HIS 77 HB3 HIS 77 -20.592 -1.629 -8.937 576 HD1 HIS 77 HD1 HIS 77 -21.814 0.452 -11.308 577 HD2 HIS 77 HD2 HIS 77 -23.628 -1.199 -7.954 578 HE1 HIS 77 HE1 HIS 77 -24.282 0.496 -11.788 579 H TYR 78 H TYR 78 -19.045 1.760 -7.749 580 HA TYR 78 HA TYR 78 -16.620 0.418 -7.521 581 HB2 TYR 78 HB2 TYR 78 -16.850 2.704 -8.418 582 HB3 TYR 78 HB3 TYR 78 -17.208 3.298 -6.800 583 HD1 TYR 78 HD1 TYR 78 -15.436 3.296 -5.065 584 HD2 TYR 78 HD2 TYR 78 -14.608 2.265 -9.109 585 HE1 TYR 78 HE1 TYR 78 -13.034 3.630 -4.652 586 HE2 TYR 78 HE2 TYR 78 -12.204 2.595 -8.707 587 HH TYR 78 HH TYR 78 -10.873 2.856 -5.627 588 H ASN 79 H ASN 79 -18.676 1.832 -5.043 589 HA ASN 79 HA ASN 79 -16.851 1.653 -2.899 590 HB2 ASN 79 HB2 ASN 79 -19.792 2.007 -3.176 591 HB3 ASN 79 HB3 ASN 79 -19.190 1.478 -1.607 592 HD21 ASN 79 HD21 ASN 79 -20.154 4.093 -3.157 593 HD22 ASN 79 HD22 ASN 79 -19.148 5.299 -2.437 594 H ALA 80 H ALA 80 -19.103 -0.637 -4.312 595 HA ALA 80 HA ALA 80 -18.947 -2.576 -2.241 596 HB1 ALA 80 HB1 ALA 80 -20.627 -3.431 -3.406 597 HB2 ALA 80 HB2 ALA 80 -20.325 -2.275 -4.704 598 HB3 ALA 80 HB3 ALA 80 -19.517 -3.843 -4.714 599 H VAL 81 H VAL 81 -17.243 -2.164 -5.324 600 HA VAL 81 HA VAL 81 -15.756 -4.542 -5.245 601 HB VAL 81 HB VAL 81 -14.815 -1.951 -6.468 602 HG11 VAL 81 HG11 VAL 81 -14.342 -4.803 -7.321 603 HG12 VAL 81 HG12 VAL 81 -13.606 -3.349 -7.999 604 HG13 VAL 81 HG13 VAL 81 -13.215 -3.853 -6.354 605 HG21 VAL 81 HG21 VAL 81 -15.990 -3.360 -8.497 606 HG22 VAL 81 HG22 VAL 81 -17.096 -3.647 -7.154 607 HG23 VAL 81 HG23 VAL 81 -16.720 -1.997 -7.649 608 H HIS 82 H HIS 82 -14.918 -1.262 -4.153 609 HA HIS 82 HA HIS 82 -12.328 -1.781 -3.277 610 HB2 HIS 82 HB2 HIS 82 -13.049 0.486 -3.418 611 HB3 HIS 82 HB3 HIS 82 -14.394 0.199 -2.318 612 HD1 HIS 82 HD1 HIS 82 -10.635 0.529 -2.325 613 HD2 HIS 82 HD2 HIS 82 -13.813 0.518 0.352 614 HE1 HIS 82 HE1 HIS 82 -9.658 1.231 -0.117 615 H SER 83 H SER 83 -15.417 -2.329 -1.697 616 HA SER 83 HA SER 83 -14.487 -2.835 0.898 617 HB2 SER 83 HB2 SER 83 -16.881 -2.510 0.275 618 HB3 SER 83 HB3 SER 83 -16.872 -4.112 -0.461 619 HG SER 83 HG SER 83 -16.248 -4.910 1.650 620 H ALA 84 H ALA 84 -14.979 -5.016 -1.854 621 HA ALA 84 HA ALA 84 -14.188 -7.366 -0.453 622 HB1 ALA 84 HB1 ALA 84 -15.562 -7.716 -2.321 623 HB2 ALA 84 HB2 ALA 84 -14.543 -6.723 -3.365 624 HB3 ALA 84 HB3 ALA 84 -13.972 -8.298 -2.814 625 H ALA 85 H ALA 85 -12.536 -5.302 -2.841 626 HA ALA 85 HA ALA 85 -10.109 -6.669 -2.912 627 HB1 ALA 85 HB1 ALA 85 -10.717 -4.935 -4.520 628 HB2 ALA 85 HB2 ALA 85 -10.576 -3.709 -3.259 629 HB3 ALA 85 HB3 ALA 85 -9.148 -4.602 -3.784 630 H LYS 86 H LYS 86 -11.310 -4.259 -0.652 631 HA LYS 86 HA LYS 86 -8.884 -3.709 0.665 632 HB2 LYS 86 HB2 LYS 86 -10.912 -2.323 0.894 633 HB3 LYS 86 HB3 LYS 86 -11.696 -3.627 1.775 634 HG2 LYS 86 HG2 LYS 86 -10.404 -3.314 3.658 635 HG3 LYS 86 HG3 LYS 86 -9.107 -2.520 2.762 636 HD2 LYS 86 HD2 LYS 86 -10.277 -0.503 2.625 637 HD3 LYS 86 HD3 LYS 86 -11.825 -1.271 2.984 638 HE2 LYS 86 HE2 LYS 86 -10.969 -1.760 5.274 639 HE3 LYS 86 HE3 LYS 86 -9.530 -0.817 4.887 640 HZ1 LYS 86 HZ1 LYS 86 -12.048 0.092 5.763 641 HZ2 LYS 86 HZ2 LYS 86 -11.731 0.748 4.237 642 HZ3 LYS 86 HZ3 LYS 86 -10.634 0.983 5.503 643 H THR 87 H THR 87 -11.325 -6.203 1.143 644 HA THR 87 HA THR 87 -10.187 -7.224 3.556 645 HB THR 87 HB THR 87 -11.860 -8.972 1.814 646 HG1 THR 87 HG1 THR 87 -12.733 -6.570 3.061 647 HG21 THR 87 HG21 THR 87 -11.087 -9.638 4.090 648 HG22 THR 87 HG22 THR 87 -12.842 -9.623 3.913 649 HG23 THR 87 HG23 THR 87 -12.028 -8.303 4.752 650 H MET 88 H MET 88 -9.961 -8.081 0.135 651 HA MET 88 HA MET 88 -8.357 -10.407 0.595 652 HB2 MET 88 HB2 MET 88 -8.996 -8.811 -1.884 653 HB3 MET 88 HB3 MET 88 -7.958 -10.230 -1.907 654 HG2 MET 88 HG2 MET 88 -9.764 -11.619 -1.127 655 HG3 MET 88 HG3 MET 88 -10.808 -10.212 -0.947 656 HE1 MET 88 HE1 MET 88 -11.205 -8.549 -3.374 657 HE2 MET 88 HE2 MET 88 -12.303 -9.600 -4.268 658 HE3 MET 88 HE3 MET 88 -12.399 -9.517 -2.509 659 H GLY 89 H GLY 89 -7.746 -7.032 0.335 660 HA2 GLY 89 HA2 GLY 89 -5.791 -5.857 0.670 661 HA3 GLY 89 HA3 GLY 89 -4.984 -7.387 0.978 662 H ILE 90 H ILE 90 -6.744 -6.796 -1.976 663 HA ILE 90 HA ILE 90 -4.232 -7.042 -3.458 664 HB ILE 90 HB ILE 90 -7.045 -7.158 -4.544 665 HG12 ILE 90 HG12 ILE 90 -5.211 -9.458 -3.842 666 HG13 ILE 90 HG13 ILE 90 -6.576 -8.939 -2.859 667 HG21 ILE 90 HG21 ILE 90 -4.342 -7.789 -5.693 668 HG22 ILE 90 HG22 ILE 90 -5.836 -8.410 -6.394 669 HG23 ILE 90 HG23 ILE 90 -5.561 -6.670 -6.304 670 HD11 ILE 90 HD11 ILE 90 -7.993 -10.105 -4.097 671 HD12 ILE 90 HD12 ILE 90 -7.373 -9.399 -5.590 672 HD13 ILE 90 HD13 ILE 90 -6.593 -10.819 -4.895 673 H ASP 91 H ASP 91 -3.646 -5.608 -5.103 674 HA ASP 91 HA ASP 91 -4.997 -2.991 -4.988 675 HB2 ASP 91 HB2 ASP 91 -2.279 -3.669 -4.515 676 HB3 ASP 91 HB3 ASP 91 -2.340 -2.747 -6.014 677 H THR 92 H THR 92 -2.983 -5.019 -7.116 678 HA THR 92 HA THR 92 -4.474 -3.918 -9.410 679 HB THR 92 HB THR 92 -2.489 -4.421 -10.801 680 HG1 THR 92 HG1 THR 92 -1.044 -4.787 -8.389 681 HG21 THR 92 HG21 THR 92 -1.948 -2.292 -10.438 682 HG22 THR 92 HG22 THR 92 -1.064 -2.761 -8.986 683 HG23 THR 92 HG23 THR 92 -2.774 -2.344 -8.881 684 H TRP 93 H TRP 93 -6.062 -5.504 -9.446 685 HA TRP 93 HA TRP 93 -5.165 -8.274 -9.831 686 HB2 TRP 93 HB2 TRP 93 -7.467 -8.926 -9.336 687 HB3 TRP 93 HB3 TRP 93 -6.829 -7.902 -8.053 688 HD1 TRP 93 HD1 TRP 93 -9.511 -8.012 -10.739 689 HE1 TRP 93 HE1 TRP 93 -11.096 -6.009 -10.426 690 HE3 TRP 93 HE3 TRP 93 -6.875 -5.437 -7.195 691 HZ2 TRP 93 HZ2 TRP 93 -11.213 -3.648 -8.882 692 HZ3 TRP 93 HZ3 TRP 93 -7.793 -3.315 -6.353 693 HH2 TRP 93 HH2 TRP 93 -9.917 -2.440 -7.181 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -3.234 6.026 -6.124 2 HA2 GLY 1 HA2 GLY 1 -4.641 3.902 -6.713 3 HA3 GLY 1 HA3 GLY 1 -3.786 4.070 -8.239 4 H ALA 2 H ALA 2 -3.738 1.942 -6.157 5 HA ALA 2 HA ALA 2 -0.855 2.013 -5.545 6 HB1 ALA 2 HB1 ALA 2 -1.641 1.805 -3.441 7 HB2 ALA 2 HB2 ALA 2 -3.184 1.132 -3.967 8 HB3 ALA 2 HB3 ALA 2 -1.756 0.101 -3.881 9 H MET 3 H MET 3 0.074 -0.274 -5.320 10 HA MET 3 HA MET 3 -1.140 -2.227 -7.099 11 HB2 MET 3 HB2 MET 3 1.654 -1.200 -7.619 12 HB3 MET 3 HB3 MET 3 0.792 -2.423 -8.543 13 HG2 MET 3 HG2 MET 3 -0.828 -0.756 -9.263 14 HG3 MET 3 HG3 MET 3 0.004 0.472 -8.312 15 HE1 MET 3 HE1 MET 3 1.145 2.164 -11.044 16 HE2 MET 3 HE2 MET 3 0.048 1.129 -11.959 17 HE3 MET 3 HE3 MET 3 -0.391 1.664 -10.336 18 H ALA 4 H ALA 4 0.912 -3.987 -7.384 19 HA ALA 4 HA ALA 4 2.058 -5.650 -6.333 20 HB1 ALA 4 HB1 ALA 4 2.557 -4.085 -3.877 21 HB2 ALA 4 HB2 ALA 4 3.670 -5.023 -4.874 22 HB3 ALA 4 HB3 ALA 4 3.175 -3.409 -5.384 23 H ASN 5 H ASN 5 0.734 -7.261 -5.779 24 HA ASN 5 HA ASN 5 -0.938 -6.937 -3.378 25 HB2 ASN 5 HB2 ASN 5 -1.991 -9.124 -4.547 26 HB3 ASN 5 HB3 ASN 5 -2.527 -7.487 -4.913 27 HD21 ASN 5 HD21 ASN 5 -1.713 -6.465 -6.806 28 HD22 ASN 5 HD22 ASN 5 -1.167 -7.410 -8.144 29 HA PRO 6 HA PRO 6 1.178 -10.132 -1.244 30 HB2 PRO 6 HB2 PRO 6 -0.844 -11.476 -0.028 31 HB3 PRO 6 HB3 PRO 6 -0.327 -9.861 0.471 32 HG2 PRO 6 HG2 PRO 6 -2.638 -10.661 -1.256 33 HG3 PRO 6 HG3 PRO 6 -2.575 -9.452 0.040 34 HD2 PRO 6 HD2 PRO 6 -2.454 -8.785 -2.582 35 HD3 PRO 6 HD3 PRO 6 -1.614 -7.859 -1.321 36 H LYS 7 H LYS 7 1.221 -12.557 -0.868 37 HA LYS 7 HA LYS 7 0.809 -13.878 -3.431 38 HB2 LYS 7 HB2 LYS 7 2.227 -14.831 -0.935 39 HB3 LYS 7 HB3 LYS 7 2.202 -15.674 -2.478 40 HG2 LYS 7 HG2 LYS 7 3.123 -13.232 -3.226 41 HG3 LYS 7 HG3 LYS 7 3.804 -13.384 -1.604 42 HD2 LYS 7 HD2 LYS 7 4.380 -15.823 -2.529 43 HD3 LYS 7 HD3 LYS 7 4.362 -14.946 -4.061 44 HE2 LYS 7 HE2 LYS 7 6.153 -13.622 -3.476 45 HE3 LYS 7 HE3 LYS 7 5.859 -13.805 -1.747 46 HZ1 LYS 7 HZ1 LYS 7 6.476 -16.298 -2.985 47 HZ2 LYS 7 HZ2 LYS 7 7.215 -15.544 -1.664 48 HZ3 LYS 7 HZ3 LYS 7 7.709 -15.167 -3.237 49 H THR 8 H THR 8 -0.255 -14.088 -0.088 50 HA THR 8 HA THR 8 -2.235 -16.111 -0.915 51 HB THR 8 HB THR 8 -2.225 -16.952 1.414 52 HG1 THR 8 HG1 THR 8 0.126 -15.390 1.772 53 HG21 THR 8 HG21 THR 8 -0.226 -18.237 1.239 54 HG22 THR 8 HG22 THR 8 0.560 -16.997 0.261 55 HG23 THR 8 HG23 THR 8 -0.780 -17.929 -0.406 56 H ILE 9 H ILE 9 -4.217 -16.112 0.462 57 HA ILE 9 HA ILE 9 -4.845 -13.597 1.775 58 HB ILE 9 HB ILE 9 -6.974 -13.383 0.418 59 HG12 ILE 9 HG12 ILE 9 -5.700 -14.630 -1.914 60 HG13 ILE 9 HG13 ILE 9 -6.174 -15.780 -0.668 61 HG21 ILE 9 HG21 ILE 9 -5.955 -11.994 -1.208 62 HG22 ILE 9 HG22 ILE 9 -4.911 -11.950 0.212 63 HG23 ILE 9 HG23 ILE 9 -4.464 -12.937 -1.180 64 HD11 ILE 9 HD11 ILE 9 -8.125 -13.720 -1.571 65 HD12 ILE 9 HD12 ILE 9 -7.824 -15.142 -2.571 66 HD13 ILE 9 HD13 ILE 9 -8.408 -15.334 -0.919 67 H LYS 10 H LYS 10 -6.091 -13.950 3.493 68 HA LYS 10 HA LYS 10 -6.841 -16.464 4.371 69 HB2 LYS 10 HB2 LYS 10 -7.112 -13.778 5.278 70 HB3 LYS 10 HB3 LYS 10 -8.676 -14.564 5.450 71 HG2 LYS 10 HG2 LYS 10 -7.832 -15.195 7.433 72 HG3 LYS 10 HG3 LYS 10 -7.086 -16.475 6.472 73 HD2 LYS 10 HD2 LYS 10 -5.358 -15.568 7.807 74 HD3 LYS 10 HD3 LYS 10 -5.107 -14.921 6.184 75 HE2 LYS 10 HE2 LYS 10 -5.419 -12.817 6.869 76 HE3 LYS 10 HE3 LYS 10 -6.849 -13.248 7.807 77 HZ1 LYS 10 HZ1 LYS 10 -5.558 -12.788 9.553 78 HZ2 LYS 10 HZ2 LYS 10 -4.121 -12.903 8.669 79 HZ3 LYS 10 HZ3 LYS 10 -4.854 -14.301 9.276 80 H ALA 11 H ALA 11 -8.434 -17.823 3.881 81 HA ALA 11 HA ALA 11 -10.161 -17.507 1.750 82 HB1 ALA 11 HB1 ALA 11 -11.368 -19.445 2.607 83 HB2 ALA 11 HB2 ALA 11 -9.624 -19.674 2.743 84 HB3 ALA 11 HB3 ALA 11 -10.573 -19.259 4.170 85 H ALA 12 H ALA 12 -10.674 -16.733 5.150 86 HA ALA 12 HA ALA 12 -13.405 -16.287 5.169 87 HB1 ALA 12 HB1 ALA 12 -11.312 -14.711 6.664 88 HB2 ALA 12 HB2 ALA 12 -13.024 -14.829 7.074 89 HB3 ALA 12 HB3 ALA 12 -11.992 -16.256 7.175 90 H ALA 13 H ALA 13 -10.813 -14.225 3.992 91 HA ALA 13 HA ALA 13 -12.310 -11.859 3.671 92 HB1 ALA 13 HB1 ALA 13 -9.937 -11.721 3.630 93 HB2 ALA 13 HB2 ALA 13 -9.832 -12.853 2.281 94 HB3 ALA 13 HB3 ALA 13 -10.513 -11.246 2.032 95 H TYR 14 H TYR 14 -11.855 -14.676 1.618 96 HA TYR 14 HA TYR 14 -12.925 -13.631 -0.758 97 HB2 TYR 14 HB2 TYR 14 -11.690 -15.889 -0.273 98 HB3 TYR 14 HB3 TYR 14 -13.316 -16.505 0.000 99 HD1 TYR 14 HD1 TYR 14 -14.460 -17.395 -1.799 100 HD2 TYR 14 HD2 TYR 14 -11.400 -14.530 -2.530 101 HE1 TYR 14 HE1 TYR 14 -14.750 -17.712 -4.220 102 HE2 TYR 14 HE2 TYR 14 -11.683 -14.838 -4.954 103 HH TYR 14 HH TYR 14 -12.565 -16.766 -6.473 104 H ASN 15 H ASN 15 -14.487 -15.561 1.798 105 HA ASN 15 HA ASN 15 -17.065 -15.533 0.707 106 HB2 ASN 15 HB2 ASN 15 -16.015 -15.888 3.503 107 HB3 ASN 15 HB3 ASN 15 -17.747 -15.873 3.184 108 HD21 ASN 15 HD21 ASN 15 -14.743 -17.415 2.130 109 HD22 ASN 15 HD22 ASN 15 -15.444 -18.963 1.815 110 H GLN 16 H GLN 16 -15.363 -13.209 2.706 111 HA GLN 16 HA GLN 16 -17.664 -11.612 3.283 112 HB2 GLN 16 HB2 GLN 16 -15.640 -11.637 4.713 113 HB3 GLN 16 HB3 GLN 16 -14.738 -10.865 3.416 114 HG2 GLN 16 HG2 GLN 16 -15.546 -9.358 5.261 115 HG3 GLN 16 HG3 GLN 16 -15.953 -8.864 3.619 116 HE21 GLN 16 HE21 GLN 16 -17.375 -11.128 5.954 117 HE22 GLN 16 HE22 GLN 16 -18.969 -10.465 5.885 118 H ALA 17 H ALA 17 -15.195 -11.639 0.795 119 HA ALA 17 HA ALA 17 -15.708 -9.090 -0.298 120 HB1 ALA 17 HB1 ALA 17 -14.683 -10.151 -2.396 121 HB2 ALA 17 HB2 ALA 17 -13.687 -10.066 -0.942 122 HB3 ALA 17 HB3 ALA 17 -14.458 -11.586 -1.395 123 H ARG 18 H ARG 18 -16.875 -12.316 -1.260 124 HA ARG 18 HA ARG 18 -18.584 -11.330 -3.306 125 HB2 ARG 18 HB2 ARG 18 -19.599 -13.650 -3.155 126 HB3 ARG 18 HB3 ARG 18 -17.877 -13.581 -3.507 127 HG2 ARG 18 HG2 ARG 18 -17.454 -14.880 -1.771 128 HG3 ARG 18 HG3 ARG 18 -18.207 -13.707 -0.688 129 HD2 ARG 18 HD2 ARG 18 -19.273 -15.877 -0.463 130 HD3 ARG 18 HD3 ARG 18 -20.399 -14.705 -1.147 131 HE ARG 18 HE ARG 18 -19.004 -16.238 -3.131 132 HH11 ARG 18 HH11 ARG 18 -21.742 -16.171 -0.982 133 HH12 ARG 18 HH12 ARG 18 -22.677 -17.281 -1.929 134 HH21 ARG 18 HH21 ARG 18 -20.225 -17.700 -4.386 135 HH22 ARG 18 HH22 ARG 18 -21.813 -18.150 -3.864 136 H SER 19 H SER 19 -18.992 -12.014 0.106 137 HA SER 19 HA SER 19 -21.772 -12.047 0.271 138 HB2 SER 19 HB2 SER 19 -20.597 -12.685 2.216 139 HB3 SER 19 HB3 SER 19 -19.634 -11.207 2.222 140 HG SER 19 HG SER 19 -21.184 -10.930 3.758 141 H THR 20 H THR 20 -19.546 -9.291 0.593 142 HA THR 20 HA THR 20 -21.463 -7.310 1.029 143 HB THR 20 HB THR 20 -18.924 -6.830 -0.521 144 HG1 THR 20 HG1 THR 20 -18.045 -6.535 1.699 145 HG21 THR 20 HG21 THR 20 -19.737 -4.741 -0.350 146 HG22 THR 20 HG22 THR 20 -19.221 -4.839 1.334 147 HG23 THR 20 HG23 THR 20 -20.893 -5.194 0.901 148 H LEU 21 H LEU 21 -20.044 -8.475 -2.011 149 HA LEU 21 HA LEU 21 -21.366 -6.682 -3.720 150 HB2 LEU 21 HB2 LEU 21 -20.579 -9.506 -4.401 151 HB3 LEU 21 HB3 LEU 21 -20.752 -8.142 -5.504 152 HG LEU 21 HG LEU 21 -18.702 -7.999 -3.340 153 HD11 LEU 21 HD11 LEU 21 -17.589 -9.773 -4.067 154 HD12 LEU 21 HD12 LEU 21 -17.419 -8.979 -5.632 155 HD13 LEU 21 HD13 LEU 21 -18.782 -10.058 -5.334 156 HD21 LEU 21 HD21 LEU 21 -18.923 -6.958 -6.161 157 HD22 LEU 21 HD22 LEU 21 -17.510 -6.746 -5.127 158 HD23 LEU 21 HD23 LEU 21 -19.055 -6.031 -4.666 159 H ALA 22 H ALA 22 -22.395 -9.649 -2.208 160 HA ALA 22 HA ALA 22 -24.538 -10.394 -3.787 161 HB1 ALA 22 HB1 ALA 22 -23.513 -11.331 -1.501 162 HB2 ALA 22 HB2 ALA 22 -24.956 -10.542 -0.864 163 HB3 ALA 22 HB3 ALA 22 -25.108 -11.792 -2.099 164 H ASP 23 H ASP 23 -24.223 -7.675 -1.653 165 HA ASP 23 HA ASP 23 -26.903 -7.076 -1.158 166 HB2 ASP 23 HB2 ASP 23 -24.462 -5.325 -1.417 167 HB3 ASP 23 HB3 ASP 23 -26.045 -4.670 -1.006 168 H ALA 24 H ALA 24 -24.900 -6.471 -3.973 169 HA ALA 24 HA ALA 24 -27.177 -5.154 -5.294 170 HB1 ALA 24 HB1 ALA 24 -24.255 -4.824 -5.481 171 HB2 ALA 24 HB2 ALA 24 -25.139 -4.739 -7.006 172 HB3 ALA 24 HB3 ALA 24 -25.550 -3.643 -5.686 173 H GLY 25 H GLY 25 -25.146 -7.948 -5.311 174 HA2 GLY 25 HA2 GLY 25 -26.341 -9.850 -6.486 175 HA3 GLY 25 HA3 GLY 25 -26.313 -8.792 -7.889 176 H SER 26 H SER 26 -25.160 -11.456 -7.556 177 HA SER 26 HA SER 26 -22.339 -10.777 -8.076 178 HB2 SER 26 HB2 SER 26 -22.295 -13.443 -7.375 179 HB3 SER 26 HB3 SER 26 -21.874 -12.101 -6.311 180 HG SER 26 HG SER 26 -23.848 -13.828 -6.029 181 H ARG 27 H ARG 27 -21.820 -11.075 -10.129 182 HA ARG 27 HA ARG 27 -23.485 -12.598 -11.902 183 HB2 ARG 27 HB2 ARG 27 -21.198 -10.762 -12.142 184 HB3 ARG 27 HB3 ARG 27 -21.245 -12.032 -13.358 185 HG2 ARG 27 HG2 ARG 27 -23.553 -10.198 -12.758 186 HG3 ARG 27 HG3 ARG 27 -22.360 -9.910 -14.026 187 HD2 ARG 27 HD2 ARG 27 -23.687 -12.560 -13.980 188 HD3 ARG 27 HD3 ARG 27 -24.663 -11.177 -14.473 189 HE ARG 27 HE ARG 27 -22.252 -11.086 -15.879 190 HH11 ARG 27 HH11 ARG 27 -25.103 -13.071 -15.649 191 HH12 ARG 27 HH12 ARG 27 -25.018 -13.612 -17.292 192 HH21 ARG 27 HH21 ARG 27 -22.129 -11.791 -18.045 193 HH22 ARG 27 HH22 ARG 27 -23.325 -12.884 -18.654 194 H THR 28 H THR 28 -20.015 -12.830 -11.097 195 HA THR 28 HA THR 28 -19.844 -15.495 -12.161 196 HB THR 28 HB THR 28 -17.538 -15.435 -11.648 197 HG1 THR 28 HG1 THR 28 -16.868 -14.564 -9.846 198 HG21 THR 28 HG21 THR 28 -16.843 -13.613 -12.868 199 HG22 THR 28 HG22 THR 28 -17.954 -12.510 -12.056 200 HG23 THR 28 HG23 THR 28 -18.558 -13.633 -13.274 201 H ALA 29 H ALA 29 -19.829 -14.038 -8.931 202 HA ALA 29 HA ALA 29 -19.322 -16.338 -7.436 203 HB1 ALA 29 HB1 ALA 29 -20.076 -13.653 -6.919 204 HB2 ALA 29 HB2 ALA 29 -21.146 -14.708 -5.994 205 HB3 ALA 29 HB3 ALA 29 -19.397 -14.839 -5.804 206 H ALA 30 H ALA 30 -22.238 -15.233 -8.993 207 HA ALA 30 HA ALA 30 -24.157 -16.710 -7.612 208 HB1 ALA 30 HB1 ALA 30 -23.970 -15.429 -10.253 209 HB2 ALA 30 HB2 ALA 30 -25.164 -16.720 -10.118 210 HB3 ALA 30 HB3 ALA 30 -25.237 -15.335 -9.029 211 H LYS 31 H LYS 31 -22.100 -17.631 -10.343 212 HA LYS 31 HA LYS 31 -23.191 -20.335 -10.318 213 HB2 LYS 31 HB2 LYS 31 -21.856 -18.655 -12.254 214 HB3 LYS 31 HB3 LYS 31 -21.048 -20.212 -12.126 215 HG2 LYS 31 HG2 LYS 31 -22.694 -21.273 -13.186 216 HG3 LYS 31 HG3 LYS 31 -23.945 -20.449 -12.253 217 HD2 LYS 31 HD2 LYS 31 -22.500 -18.832 -14.269 218 HD3 LYS 31 HD3 LYS 31 -23.596 -20.074 -14.882 219 HE2 LYS 31 HE2 LYS 31 -25.351 -19.114 -13.350 220 HE3 LYS 31 HE3 LYS 31 -24.247 -17.773 -13.050 221 HZ1 LYS 31 HZ1 LYS 31 -24.286 -17.878 -15.733 222 HZ2 LYS 31 HZ2 LYS 31 -25.268 -16.863 -14.803 223 HZ3 LYS 31 HZ3 LYS 31 -25.873 -18.338 -15.368 224 H SER 32 H SER 32 -20.406 -18.565 -9.264 225 HA SER 32 HA SER 32 -18.852 -20.980 -8.787 226 HB2 SER 32 HB2 SER 32 -18.255 -18.051 -8.329 227 HB3 SER 32 HB3 SER 32 -17.144 -19.352 -7.901 228 HG SER 32 HG SER 32 -17.653 -18.241 -10.326 229 H HIS 33 H HIS 33 -17.627 -20.832 -6.528 230 HA HIS 33 HA HIS 33 -19.585 -20.255 -4.416 231 HB2 HIS 33 HB2 HIS 33 -18.751 -22.427 -3.314 232 HB3 HIS 33 HB3 HIS 33 -19.889 -22.572 -4.651 233 HD1 HIS 33 HD1 HIS 33 -18.902 -23.402 -6.946 234 HD2 HIS 33 HD2 HIS 33 -16.277 -23.579 -3.731 235 HE1 HIS 33 HE1 HIS 33 -17.015 -24.882 -7.701 236 HA PRO 34 HA PRO 34 -16.241 -18.499 -2.186 237 HB2 PRO 34 HB2 PRO 34 -16.902 -19.105 0.376 238 HB3 PRO 34 HB3 PRO 34 -17.769 -17.897 -0.580 239 HG2 PRO 34 HG2 PRO 34 -18.497 -20.746 -0.018 240 HG3 PRO 34 HG3 PRO 34 -19.531 -19.306 -0.012 241 HD2 PRO 34 HD2 PRO 34 -19.456 -21.038 -2.092 242 HD3 PRO 34 HD3 PRO 34 -19.750 -19.300 -2.307 243 H ILE 35 H ILE 35 -14.876 -19.163 -0.025 244 HA ILE 35 HA ILE 35 -13.765 -21.825 -0.629 245 HB ILE 35 HB ILE 35 -12.323 -19.429 0.513 246 HG12 ILE 35 HG12 ILE 35 -12.125 -20.714 -2.220 247 HG13 ILE 35 HG13 ILE 35 -12.901 -19.173 -1.873 248 HG21 ILE 35 HG21 ILE 35 -11.717 -22.192 0.622 249 HG22 ILE 35 HG22 ILE 35 -10.584 -21.439 -0.499 250 HG23 ILE 35 HG23 ILE 35 -10.727 -20.832 1.150 251 HD11 ILE 35 HD11 ILE 35 -10.971 -18.101 -2.013 252 HD12 ILE 35 HD12 ILE 35 -10.203 -19.209 -0.876 253 HD13 ILE 35 HD13 ILE 35 -10.254 -19.604 -2.593 254 H HIS 36 H HIS 36 -13.897 -23.303 0.919 255 HA HIS 36 HA HIS 36 -13.982 -22.439 3.723 256 HB2 HIS 36 HB2 HIS 36 -16.200 -23.438 2.313 257 HB3 HIS 36 HB3 HIS 36 -15.644 -24.766 3.328 258 HD1 HIS 36 HD1 HIS 36 -16.954 -24.796 5.413 259 HD2 HIS 36 HD2 HIS 36 -16.156 -20.916 4.162 260 HE1 HIS 36 HE1 HIS 36 -17.962 -23.303 7.168 261 H GLY 37 H GLY 37 -13.448 -24.162 5.254 262 HA2 GLY 37 HA2 GLY 37 -11.974 -25.766 5.985 263 HA3 GLY 37 HA3 GLY 37 -12.558 -26.703 4.618 264 H LYS 38 H LYS 38 -10.772 -23.660 4.494 265 HA LYS 38 HA LYS 38 -8.452 -25.113 3.421 266 HB2 LYS 38 HB2 LYS 38 -9.958 -22.836 2.180 267 HB3 LYS 38 HB3 LYS 38 -8.239 -23.025 1.864 268 HG2 LYS 38 HG2 LYS 38 -9.350 -25.556 1.463 269 HG3 LYS 38 HG3 LYS 38 -10.473 -24.417 0.717 270 HD2 LYS 38 HD2 LYS 38 -8.924 -23.685 -0.815 271 HD3 LYS 38 HD3 LYS 38 -7.552 -24.086 0.222 272 HE2 LYS 38 HE2 LYS 38 -7.366 -25.758 -1.321 273 HE3 LYS 38 HE3 LYS 38 -8.439 -26.545 -0.165 274 HZ1 LYS 38 HZ1 LYS 38 -9.438 -25.043 -2.515 275 HZ2 LYS 38 HZ2 LYS 38 -10.301 -26.101 -1.517 276 HZ3 LYS 38 HZ3 LYS 38 -9.112 -26.703 -2.560 277 H THR 39 H THR 39 -6.502 -24.395 4.094 278 HA THR 39 HA THR 39 -6.343 -22.685 6.331 279 HB THR 39 HB THR 39 -3.899 -23.130 4.693 280 HG1 THR 39 HG1 THR 39 -3.904 -25.278 4.977 281 HG21 THR 39 HG21 THR 39 -4.333 -22.237 7.209 282 HG22 THR 39 HG22 THR 39 -2.841 -23.020 6.690 283 HG23 THR 39 HG23 THR 39 -4.085 -23.955 7.518 284 H ASP 40 H ASP 40 -5.515 -22.198 2.916 285 HA ASP 40 HA ASP 40 -6.190 -19.487 2.885 286 HB2 ASP 40 HB2 ASP 40 -3.808 -18.581 2.610 287 HB3 ASP 40 HB3 ASP 40 -4.346 -18.943 4.248 288 H VAL 41 H VAL 41 -6.099 -18.622 0.824 289 HA VAL 41 HA VAL 41 -5.101 -20.453 -1.260 290 HB VAL 41 HB VAL 41 -6.803 -19.228 -2.737 291 HG11 VAL 41 HG11 VAL 41 -8.364 -20.723 -0.743 292 HG12 VAL 41 HG12 VAL 41 -8.169 -20.998 -2.476 293 HG13 VAL 41 HG13 VAL 41 -6.929 -21.550 -1.349 294 HG21 VAL 41 HG21 VAL 41 -8.364 -18.711 -0.267 295 HG22 VAL 41 HG22 VAL 41 -7.113 -17.545 -0.702 296 HG23 VAL 41 HG23 VAL 41 -8.419 -17.901 -1.833 297 HA PRO 42 HA PRO 42 -2.440 -17.330 -2.822 298 HB2 PRO 42 HB2 PRO 42 -2.552 -17.809 -5.492 299 HB3 PRO 42 HB3 PRO 42 -1.715 -18.877 -4.359 300 HG2 PRO 42 HG2 PRO 42 -4.442 -19.155 -5.561 301 HG3 PRO 42 HG3 PRO 42 -3.192 -20.390 -5.326 302 HD2 PRO 42 HD2 PRO 42 -5.313 -20.130 -3.663 303 HD3 PRO 42 HD3 PRO 42 -3.722 -20.684 -3.102 304 H VAL 43 H VAL 43 -2.353 -15.345 -3.968 305 HA VAL 43 HA VAL 43 -4.599 -13.747 -3.871 306 HB VAL 43 HB VAL 43 -2.413 -12.752 -3.994 307 HG11 VAL 43 HG11 VAL 43 -1.797 -12.965 -6.769 308 HG12 VAL 43 HG12 VAL 43 -0.844 -13.491 -5.380 309 HG13 VAL 43 HG13 VAL 43 -2.020 -14.585 -6.109 310 HG21 VAL 43 HG21 VAL 43 -4.605 -11.817 -5.315 311 HG22 VAL 43 HG22 VAL 43 -3.122 -10.901 -5.049 312 HG23 VAL 43 HG23 VAL 43 -3.372 -11.750 -6.574 313 H SER 44 H SER 44 -3.486 -15.824 -6.451 314 HA SER 44 HA SER 44 -4.927 -14.813 -8.600 315 HB2 SER 44 HB2 SER 44 -3.582 -17.305 -7.938 316 HB3 SER 44 HB3 SER 44 -5.012 -17.580 -8.933 317 HG SER 44 HG SER 44 -4.120 -16.500 -10.552 318 H TYR 45 H TYR 45 -5.969 -16.812 -5.919 319 HA TYR 45 HA TYR 45 -8.505 -17.504 -7.020 320 HB2 TYR 45 HB2 TYR 45 -7.138 -18.559 -5.027 321 HB3 TYR 45 HB3 TYR 45 -8.045 -17.396 -4.067 322 HD1 TYR 45 HD1 TYR 45 -8.016 -20.680 -4.902 323 HD2 TYR 45 HD2 TYR 45 -10.686 -17.368 -4.992 324 HE1 TYR 45 HE1 TYR 45 -9.928 -22.226 -4.846 325 HE2 TYR 45 HE2 TYR 45 -12.604 -18.905 -4.935 326 HH TYR 45 HH TYR 45 -12.297 -22.202 -4.197 327 H GLY 46 H GLY 46 -7.465 -15.094 -4.614 328 HA2 GLY 46 HA2 GLY 46 -10.037 -13.990 -4.198 329 HA3 GLY 46 HA3 GLY 46 -8.509 -13.215 -3.804 330 H THR 47 H THR 47 -7.413 -13.124 -6.405 331 HA THR 47 HA THR 47 -8.425 -10.703 -7.341 332 HB THR 47 HB THR 47 -7.149 -11.266 -9.478 333 HG1 THR 47 HG1 THR 47 -6.532 -13.270 -9.698 334 HG21 THR 47 HG21 THR 47 -5.920 -11.227 -6.741 335 HG22 THR 47 HG22 THR 47 -5.982 -9.946 -7.951 336 HG23 THR 47 HG23 THR 47 -4.911 -11.327 -8.183 337 H SER 48 H SER 48 -9.218 -14.006 -8.234 338 HA SER 48 HA SER 48 -10.617 -13.529 -10.600 339 HB2 SER 48 HB2 SER 48 -10.080 -15.743 -9.010 340 HB3 SER 48 HB3 SER 48 -11.838 -15.615 -8.967 341 HG SER 48 HG SER 48 -10.198 -15.746 -11.280 342 H LEU 49 H LEU 49 -11.727 -13.477 -7.238 343 HA LEU 49 HA LEU 49 -14.447 -12.906 -7.923 344 HB2 LEU 49 HB2 LEU 49 -13.866 -14.045 -5.850 345 HB3 LEU 49 HB3 LEU 49 -12.970 -12.627 -5.309 346 HG LEU 49 HG LEU 49 -14.926 -11.402 -4.910 347 HD11 LEU 49 HD11 LEU 49 -16.133 -13.291 -6.845 348 HD12 LEU 49 HD12 LEU 49 -16.349 -11.550 -6.669 349 HD13 LEU 49 HD13 LEU 49 -17.177 -12.656 -5.573 350 HD21 LEU 49 HD21 LEU 49 -15.834 -12.577 -3.191 351 HD22 LEU 49 HD22 LEU 49 -14.453 -13.623 -3.525 352 HD23 LEU 49 HD23 LEU 49 -16.048 -14.040 -4.153 353 H LEU 50 H LEU 50 -11.624 -11.008 -7.045 354 HA LEU 50 HA LEU 50 -12.925 -8.551 -6.602 355 HB2 LEU 50 HB2 LEU 50 -10.349 -9.474 -6.442 356 HB3 LEU 50 HB3 LEU 50 -10.270 -8.363 -7.807 357 HG LEU 50 HG LEU 50 -11.113 -7.708 -4.986 358 HD11 LEU 50 HD11 LEU 50 -9.093 -6.038 -5.589 359 HD12 LEU 50 HD12 LEU 50 -8.620 -7.449 -6.535 360 HD13 LEU 50 HD13 LEU 50 -8.871 -7.598 -4.796 361 HD21 LEU 50 HD21 LEU 50 -12.336 -6.091 -5.920 362 HD22 LEU 50 HD22 LEU 50 -11.640 -6.366 -7.517 363 HD23 LEU 50 HD23 LEU 50 -10.799 -5.342 -6.352 364 H ALA 51 H ALA 51 -11.318 -9.834 -9.508 365 HA ALA 51 HA ALA 51 -12.018 -7.622 -11.151 366 HB1 ALA 51 HB1 ALA 51 -10.400 -8.590 -12.329 367 HB2 ALA 51 HB2 ALA 51 -10.571 -10.104 -11.440 368 HB3 ALA 51 HB3 ALA 51 -11.589 -9.787 -12.844 369 H ALA 52 H ALA 52 -13.537 -10.695 -10.408 370 HA ALA 52 HA ALA 52 -15.410 -10.817 -12.473 371 HB1 ALA 52 HB1 ALA 52 -15.115 -12.014 -9.806 372 HB2 ALA 52 HB2 ALA 52 -16.768 -11.939 -10.417 373 HB3 ALA 52 HB3 ALA 52 -15.519 -12.762 -11.352 374 H ALA 53 H ALA 53 -15.678 -9.317 -9.259 375 HA ALA 53 HA ALA 53 -18.321 -8.343 -9.685 376 HB1 ALA 53 HB1 ALA 53 -17.311 -6.756 -7.705 377 HB2 ALA 53 HB2 ALA 53 -18.056 -8.336 -7.463 378 HB3 ALA 53 HB3 ALA 53 -16.302 -8.197 -7.576 379 H ARG 54 H ARG 54 -15.094 -6.911 -9.949 380 HA ARG 54 HA ARG 54 -15.813 -4.264 -10.391 381 HB2 ARG 54 HB2 ARG 54 -13.534 -4.594 -10.082 382 HB3 ARG 54 HB3 ARG 54 -13.471 -5.936 -11.216 383 HG2 ARG 54 HG2 ARG 54 -13.275 -4.575 -13.036 384 HG3 ARG 54 HG3 ARG 54 -14.141 -3.242 -12.269 385 HD2 ARG 54 HD2 ARG 54 -12.244 -2.325 -11.552 386 HD3 ARG 54 HD3 ARG 54 -11.703 -3.850 -10.851 387 HE ARG 54 HE ARG 54 -11.354 -3.982 -13.622 388 HH11 ARG 54 HH11 ARG 54 -10.094 -2.259 -10.872 389 HH12 ARG 54 HH12 ARG 54 -8.528 -2.021 -11.573 390 HH21 ARG 54 HH21 ARG 54 -9.296 -3.675 -14.557 391 HH22 ARG 54 HH22 ARG 54 -8.075 -2.826 -13.670 392 H ASP 55 H ASP 55 -15.195 -6.798 -12.821 393 HA ASP 55 HA ASP 55 -15.902 -5.238 -15.054 394 HB2 ASP 55 HB2 ASP 55 -14.640 -7.195 -15.474 395 HB3 ASP 55 HB3 ASP 55 -15.777 -8.213 -14.594 396 H GLU 56 H GLU 56 -17.790 -7.426 -13.013 397 HA GLU 56 HA GLU 56 -20.157 -7.428 -14.498 398 HB2 GLU 56 HB2 GLU 56 -19.911 -9.009 -12.732 399 HB3 GLU 56 HB3 GLU 56 -19.649 -7.742 -11.543 400 HG2 GLU 56 HG2 GLU 56 -22.227 -7.825 -13.031 401 HG3 GLU 56 HG3 GLU 56 -21.949 -8.963 -11.714 402 H PHE 57 H PHE 57 -19.142 -5.299 -11.840 403 HA PHE 57 HA PHE 57 -21.463 -3.736 -11.733 404 HB2 PHE 57 HB2 PHE 57 -18.600 -3.090 -11.020 405 HB3 PHE 57 HB3 PHE 57 -19.946 -2.004 -10.689 406 HD1 PHE 57 HD1 PHE 57 -22.019 -3.942 -9.857 407 HD2 PHE 57 HD2 PHE 57 -17.876 -3.725 -8.906 408 HE1 PHE 57 HE1 PHE 57 -22.447 -5.117 -7.738 409 HE2 PHE 57 HE2 PHE 57 -18.297 -4.901 -6.787 410 HZ PHE 57 HZ PHE 57 -20.584 -5.600 -6.201 411 H ARG 58 H ARG 58 -18.666 -3.595 -13.828 412 HA ARG 58 HA ARG 58 -18.953 -1.024 -14.866 413 HB2 ARG 58 HB2 ARG 58 -17.027 -2.577 -15.264 414 HB3 ARG 58 HB3 ARG 58 -18.040 -3.465 -16.393 415 HG2 ARG 58 HG2 ARG 58 -18.278 -0.924 -17.334 416 HG3 ARG 58 HG3 ARG 58 -16.622 -0.931 -16.725 417 HD2 ARG 58 HD2 ARG 58 -17.790 -2.952 -18.635 418 HD3 ARG 58 HD3 ARG 58 -16.761 -1.595 -19.092 419 HE ARG 58 HE ARG 58 -15.247 -2.885 -17.282 420 HH11 ARG 58 HH11 ARG 58 -16.992 -3.976 -20.090 421 HH12 ARG 58 HH12 ARG 58 -15.895 -5.273 -20.429 422 HH21 ARG 58 HH21 ARG 58 -13.795 -4.589 -17.719 423 HH22 ARG 58 HH22 ARG 58 -14.077 -5.621 -19.079 424 H GLN 59 H GLN 59 -20.633 -4.005 -15.643 425 HA GLN 59 HA GLN 59 -21.927 -2.975 -17.978 426 HB2 GLN 59 HB2 GLN 59 -21.624 -5.343 -17.829 427 HB3 GLN 59 HB3 GLN 59 -22.430 -5.409 -16.267 428 HG2 GLN 59 HG2 GLN 59 -23.850 -6.262 -18.051 429 HG3 GLN 59 HG3 GLN 59 -24.541 -4.824 -17.302 430 HE21 GLN 59 HE21 GLN 59 -25.406 -3.473 -18.687 431 HE22 GLN 59 HE22 GLN 59 -24.895 -3.205 -20.315 432 H ALA 60 H ALA 60 -22.716 -3.207 -14.567 433 HA ALA 60 HA ALA 60 -25.449 -2.651 -14.676 434 HB1 ALA 60 HB1 ALA 60 -23.419 -1.964 -12.557 435 HB2 ALA 60 HB2 ALA 60 -25.164 -1.815 -12.351 436 HB3 ALA 60 HB3 ALA 60 -24.442 -3.399 -12.632 437 H ASP 61 H ASP 61 -22.693 -0.422 -14.394 438 HA ASP 61 HA ASP 61 -24.489 1.852 -14.776 439 HB2 ASP 61 HB2 ASP 61 -22.707 3.239 -14.049 440 HB3 ASP 61 HB3 ASP 61 -22.668 1.824 -13.000 441 H LYS 62 H LYS 62 -24.069 0.045 -16.962 442 HA LYS 62 HA LYS 62 -22.200 1.223 -18.793 443 HB2 LYS 62 HB2 LYS 62 -22.866 -1.180 -18.854 444 HB3 LYS 62 HB3 LYS 62 -24.473 -0.685 -19.371 445 HG2 LYS 62 HG2 LYS 62 -23.419 -1.273 -21.349 446 HG3 LYS 62 HG3 LYS 62 -23.268 0.486 -21.312 447 HD2 LYS 62 HD2 LYS 62 -21.141 -0.280 -21.937 448 HD3 LYS 62 HD3 LYS 62 -20.993 0.092 -20.217 449 HE2 LYS 62 HE2 LYS 62 -19.989 -1.966 -20.284 450 HE3 LYS 62 HE3 LYS 62 -21.655 -2.437 -19.948 451 HZ1 LYS 62 HZ1 LYS 62 -21.369 -3.771 -21.704 452 HZ2 LYS 62 HZ2 LYS 62 -20.047 -2.902 -22.301 453 HZ3 LYS 62 HZ3 LYS 62 -21.621 -2.379 -22.632 454 H LYS 63 H LYS 63 -25.582 1.609 -18.049 455 HA LYS 63 HA LYS 63 -26.296 3.002 -20.429 456 HB2 LYS 63 HB2 LYS 63 -28.039 1.959 -19.163 457 HB3 LYS 63 HB3 LYS 63 -27.581 2.827 -17.704 458 HG2 LYS 63 HG2 LYS 63 -28.279 4.548 -19.969 459 HG3 LYS 63 HG3 LYS 63 -29.599 3.540 -19.371 460 HD2 LYS 63 HD2 LYS 63 -27.884 5.300 -17.623 461 HD3 LYS 63 HD3 LYS 63 -29.448 5.781 -18.284 462 HE2 LYS 63 HE2 LYS 63 -30.350 3.653 -17.175 463 HE3 LYS 63 HE3 LYS 63 -28.834 3.634 -16.277 464 HZ1 LYS 63 HZ1 LYS 63 -30.442 6.093 -16.330 465 HZ2 LYS 63 HZ2 LYS 63 -29.377 5.535 -15.142 466 HZ3 LYS 63 HZ3 LYS 63 -30.905 4.828 -15.306 467 H LEU 64 H LEU 64 -24.703 3.894 -17.511 468 HA LEU 64 HA LEU 64 -25.210 6.733 -17.863 469 HB2 LEU 64 HB2 LEU 64 -23.214 5.662 -15.928 470 HB3 LEU 64 HB3 LEU 64 -24.286 7.053 -15.780 471 HG LEU 64 HG LEU 64 -25.199 4.182 -15.630 472 HD11 LEU 64 HD11 LEU 64 -25.172 4.321 -13.298 473 HD12 LEU 64 HD12 LEU 64 -24.939 6.069 -13.312 474 HD13 LEU 64 HD13 LEU 64 -23.621 5.000 -13.791 475 HD21 LEU 64 HD21 LEU 64 -26.881 6.111 -14.346 476 HD22 LEU 64 HD22 LEU 64 -27.264 4.993 -15.655 477 HD23 LEU 64 HD23 LEU 64 -26.602 6.587 -16.021 478 HA PRO 65 HA PRO 65 -21.609 7.676 -20.191 479 HB2 PRO 65 HB2 PRO 65 -20.995 10.140 -19.229 480 HB3 PRO 65 HB3 PRO 65 -22.382 9.838 -20.283 481 HG2 PRO 65 HG2 PRO 65 -22.295 10.135 -17.305 482 HG3 PRO 65 HG3 PRO 65 -23.459 10.806 -18.463 483 HD2 PRO 65 HD2 PRO 65 -23.984 8.601 -16.981 484 HD3 PRO 65 HD3 PRO 65 -24.636 8.830 -18.616 485 H ALA 66 H ALA 66 -19.304 8.215 -20.024 486 HA ALA 66 HA ALA 66 -18.024 6.746 -17.976 487 HB1 ALA 66 HB1 ALA 66 -17.093 8.461 -20.231 488 HB2 ALA 66 HB2 ALA 66 -15.942 7.957 -18.993 489 HB3 ALA 66 HB3 ALA 66 -16.815 6.745 -19.930 490 H LYS 67 H LYS 67 -18.746 10.140 -18.391 491 HA LYS 67 HA LYS 67 -16.987 11.115 -16.381 492 HB2 LYS 67 HB2 LYS 67 -18.103 13.204 -16.630 493 HB3 LYS 67 HB3 LYS 67 -18.025 12.478 -18.230 494 HG2 LYS 67 HG2 LYS 67 -20.383 11.615 -17.757 495 HG3 LYS 67 HG3 LYS 67 -20.395 12.767 -16.419 496 HD2 LYS 67 HD2 LYS 67 -19.900 13.444 -19.319 497 HD3 LYS 67 HD3 LYS 67 -21.411 13.708 -18.446 498 HE2 LYS 67 HE2 LYS 67 -20.590 15.746 -18.016 499 HE3 LYS 67 HE3 LYS 67 -19.585 14.929 -16.819 500 HZ1 LYS 67 HZ1 LYS 67 -18.793 16.283 -19.167 501 HZ2 LYS 67 HZ2 LYS 67 -18.288 14.671 -19.253 502 HZ3 LYS 67 HZ3 LYS 67 -17.827 15.632 -17.940 503 H ASP 68 H ASP 68 -20.209 9.790 -16.360 504 HA ASP 68 HA ASP 68 -20.624 10.557 -13.575 505 HB2 ASP 68 HB2 ASP 68 -22.403 9.162 -15.581 506 HB3 ASP 68 HB3 ASP 68 -22.861 9.451 -13.905 507 H LYS 69 H LYS 69 -18.506 8.705 -14.233 508 HA LYS 69 HA LYS 69 -19.159 6.641 -12.344 509 HB2 LYS 69 HB2 LYS 69 -18.738 4.742 -13.793 510 HB3 LYS 69 HB3 LYS 69 -20.073 5.690 -14.434 511 HG2 LYS 69 HG2 LYS 69 -18.664 6.647 -16.120 512 HG3 LYS 69 HG3 LYS 69 -17.234 5.892 -15.413 513 HD2 LYS 69 HD2 LYS 69 -17.686 4.409 -17.102 514 HD3 LYS 69 HD3 LYS 69 -18.623 3.686 -15.792 515 HE2 LYS 69 HE2 LYS 69 -20.623 4.888 -16.620 516 HE3 LYS 69 HE3 LYS 69 -19.666 5.493 -17.971 517 HZ1 LYS 69 HZ1 LYS 69 -19.882 2.597 -17.452 518 HZ2 LYS 69 HZ2 LYS 69 -19.494 3.390 -18.895 519 HZ3 LYS 69 HZ3 LYS 69 -21.085 3.410 -18.321 520 H LYS 70 H LYS 70 -17.370 5.881 -11.321 521 HA LYS 70 HA LYS 70 -14.886 7.228 -11.825 522 HB2 LYS 70 HB2 LYS 70 -16.056 6.205 -9.588 523 HB3 LYS 70 HB3 LYS 70 -14.881 4.949 -9.955 524 HG2 LYS 70 HG2 LYS 70 -14.296 7.872 -9.530 525 HG3 LYS 70 HG3 LYS 70 -13.946 6.552 -8.410 526 HD2 LYS 70 HD2 LYS 70 -11.937 6.439 -9.378 527 HD3 LYS 70 HD3 LYS 70 -12.761 5.741 -10.775 528 HE2 LYS 70 HE2 LYS 70 -12.554 7.626 -11.997 529 HE3 LYS 70 HE3 LYS 70 -12.821 8.679 -10.609 530 HZ1 LYS 70 HZ1 LYS 70 -10.467 8.396 -11.812 531 HZ2 LYS 70 HZ2 LYS 70 -10.318 7.210 -10.616 532 HZ3 LYS 70 HZ3 LYS 70 -10.631 8.814 -10.181 533 H SER 71 H SER 71 -13.514 6.604 -13.348 534 HA SER 71 HA SER 71 -12.131 5.296 -14.602 535 HB2 SER 71 HB2 SER 71 -12.556 3.761 -12.219 536 HB3 SER 71 HB3 SER 71 -12.534 2.671 -13.605 537 HG SER 71 HG SER 71 -10.512 3.385 -14.131 538 H ASP 72 H ASP 72 -14.598 2.876 -13.777 539 HA ASP 72 HA ASP 72 -15.919 3.143 -16.318 540 HB2 ASP 72 HB2 ASP 72 -15.456 0.685 -16.891 541 HB3 ASP 72 HB3 ASP 72 -14.164 1.843 -17.197 542 H MET 73 H MET 73 -16.496 3.136 -13.412 543 HA MET 73 HA MET 73 -18.810 1.394 -13.533 544 HB2 MET 73 HB2 MET 73 -18.335 0.395 -11.305 545 HB3 MET 73 HB3 MET 73 -17.205 -0.114 -12.553 546 HG2 MET 73 HG2 MET 73 -15.916 2.039 -11.532 547 HG3 MET 73 HG3 MET 73 -16.749 1.427 -10.105 548 HE1 MET 73 HE1 MET 73 -16.504 -1.931 -11.527 549 HE2 MET 73 HE2 MET 73 -15.541 -2.308 -10.099 550 HE3 MET 73 HE3 MET 73 -16.961 -1.272 -9.956 551 H SER 74 H SER 74 -20.426 1.918 -11.970 552 HA SER 74 HA SER 74 -20.648 4.673 -11.436 553 HB2 SER 74 HB2 SER 74 -22.653 3.393 -11.725 554 HB3 SER 74 HB3 SER 74 -22.215 2.299 -10.412 555 HG SER 74 HG SER 74 -23.520 3.652 -9.391 556 H ILE 75 H ILE 75 -20.356 5.878 -9.614 557 HA ILE 75 HA ILE 75 -18.360 5.269 -7.824 558 HB ILE 75 HB ILE 75 -20.715 7.110 -7.392 559 HG12 ILE 75 HG12 ILE 75 -18.557 8.696 -7.832 560 HG13 ILE 75 HG13 ILE 75 -18.142 7.311 -8.835 561 HG21 ILE 75 HG21 ILE 75 -18.356 6.479 -5.727 562 HG22 ILE 75 HG22 ILE 75 -18.786 8.181 -5.881 563 HG23 ILE 75 HG23 ILE 75 -19.965 7.027 -5.257 564 HD11 ILE 75 HD11 ILE 75 -19.383 8.251 -10.412 565 HD12 ILE 75 HD12 ILE 75 -20.790 7.804 -9.446 566 HD13 ILE 75 HD13 ILE 75 -20.078 9.409 -9.278 567 H ALA 76 H ALA 76 -21.793 4.563 -7.590 568 HA ALA 76 HA ALA 76 -21.781 3.753 -4.869 569 HB1 ALA 76 HB1 ALA 76 -23.728 4.248 -6.700 570 HB2 ALA 76 HB2 ALA 76 -23.776 2.487 -6.606 571 HB3 ALA 76 HB3 ALA 76 -23.988 3.454 -5.146 572 H HIS 77 H HIS 77 -21.317 2.049 -7.924 573 HA HIS 77 HA HIS 77 -21.226 -0.549 -6.711 574 HB2 HIS 77 HB2 HIS 77 -20.266 0.306 -9.449 575 HB3 HIS 77 HB3 HIS 77 -20.578 -1.344 -8.920 576 HD1 HIS 77 HD1 HIS 77 -22.035 -0.190 -11.362 577 HD2 HIS 77 HD2 HIS 77 -23.552 -0.108 -7.496 578 HE1 HIS 77 HE1 HIS 77 -24.528 0.016 -11.623 579 H TYR 78 H TYR 78 -18.884 1.884 -7.667 580 HA TYR 78 HA TYR 78 -16.543 0.390 -7.567 581 HB2 TYR 78 HB2 TYR 78 -16.860 2.829 -8.275 582 HB3 TYR 78 HB3 TYR 78 -16.734 3.227 -6.565 583 HD1 TYR 78 HD1 TYR 78 -14.610 2.340 -5.341 584 HD2 TYR 78 HD2 TYR 78 -14.934 2.717 -9.566 585 HE1 TYR 78 HE1 TYR 78 -12.157 2.359 -5.521 586 HE2 TYR 78 HE2 TYR 78 -12.482 2.736 -9.759 587 HH TYR 78 HH TYR 78 -10.417 2.804 -6.910 588 H ASN 79 H ASN 79 -18.444 1.800 -4.970 589 HA ASN 79 HA ASN 79 -16.563 1.427 -2.896 590 HB2 ASN 79 HB2 ASN 79 -19.510 1.909 -3.026 591 HB3 ASN 79 HB3 ASN 79 -18.808 1.390 -1.496 592 HD21 ASN 79 HD21 ASN 79 -19.928 3.990 -2.776 593 HD22 ASN 79 HD22 ASN 79 -18.799 5.186 -2.247 594 H ALA 80 H ALA 80 -18.974 -0.661 -4.347 595 HA ALA 80 HA ALA 80 -18.896 -2.690 -2.356 596 HB1 ALA 80 HB1 ALA 80 -20.355 -2.185 -4.709 597 HB2 ALA 80 HB2 ALA 80 -19.590 -3.761 -4.915 598 HB3 ALA 80 HB3 ALA 80 -20.623 -3.458 -3.518 599 H VAL 81 H VAL 81 -17.421 -2.465 -5.595 600 HA VAL 81 HA VAL 81 -15.968 -4.873 -5.414 601 HB VAL 81 HB VAL 81 -16.422 -3.707 -7.548 602 HG11 VAL 81 HG11 VAL 81 -15.108 -1.789 -8.217 603 HG12 VAL 81 HG12 VAL 81 -15.991 -1.417 -6.735 604 HG13 VAL 81 HG13 VAL 81 -14.268 -1.789 -6.667 605 HG21 VAL 81 HG21 VAL 81 -14.821 -5.237 -7.999 606 HG22 VAL 81 HG22 VAL 81 -13.830 -3.801 -8.255 607 HG23 VAL 81 HG23 VAL 81 -13.755 -4.660 -6.717 608 H HIS 82 H HIS 82 -15.200 -1.561 -4.505 609 HA HIS 82 HA HIS 82 -12.444 -2.010 -3.983 610 HB2 HIS 82 HB2 HIS 82 -13.370 0.237 -4.384 611 HB3 HIS 82 HB3 HIS 82 -14.283 0.127 -2.883 612 HD1 HIS 82 HD1 HIS 82 -13.199 1.708 -1.319 613 HD2 HIS 82 HD2 HIS 82 -10.412 -0.524 -3.444 614 HE1 HIS 82 HE1 HIS 82 -10.959 2.355 -0.375 615 H SER 83 H SER 83 -15.369 -2.287 -2.067 616 HA SER 83 HA SER 83 -14.211 -2.455 0.479 617 HB2 SER 83 HB2 SER 83 -16.651 -2.191 0.034 618 HB3 SER 83 HB3 SER 83 -16.705 -3.877 -0.482 619 HG SER 83 HG SER 83 -16.779 -2.865 2.008 620 H ALA 84 H ALA 84 -14.808 -4.922 -1.975 621 HA ALA 84 HA ALA 84 -14.004 -7.123 -0.356 622 HB1 ALA 84 HB1 ALA 84 -15.425 -7.599 -2.186 623 HB2 ALA 84 HB2 ALA 84 -14.344 -6.798 -3.327 624 HB3 ALA 84 HB3 ALA 84 -13.862 -8.319 -2.574 625 H ALA 85 H ALA 85 -12.373 -5.216 -2.872 626 HA ALA 85 HA ALA 85 -9.965 -6.604 -2.958 627 HB1 ALA 85 HB1 ALA 85 -10.778 -4.711 -4.462 628 HB2 ALA 85 HB2 ALA 85 -10.127 -3.619 -3.239 629 HB3 ALA 85 HB3 ALA 85 -9.059 -4.749 -4.070 630 H LYS 86 H LYS 86 -11.076 -4.125 -0.720 631 HA LYS 86 HA LYS 86 -8.608 -3.640 0.556 632 HB2 LYS 86 HB2 LYS 86 -11.263 -2.733 0.800 633 HB3 LYS 86 HB3 LYS 86 -10.824 -3.373 2.378 634 HG2 LYS 86 HG2 LYS 86 -9.026 -1.469 0.927 635 HG3 LYS 86 HG3 LYS 86 -10.385 -0.895 1.896 636 HD2 LYS 86 HD2 LYS 86 -9.487 -2.032 3.854 637 HD3 LYS 86 HD3 LYS 86 -8.151 -2.666 2.890 638 HE2 LYS 86 HE2 LYS 86 -6.987 -0.794 3.175 639 HE3 LYS 86 HE3 LYS 86 -8.330 0.185 2.586 640 HZ1 LYS 86 HZ1 LYS 86 -7.796 -0.680 5.367 641 HZ2 LYS 86 HZ2 LYS 86 -9.289 -0.051 4.883 642 HZ3 LYS 86 HZ3 LYS 86 -7.895 0.900 4.768 643 H THR 87 H THR 87 -11.129 -6.034 1.078 644 HA THR 87 HA THR 87 -10.059 -7.029 3.532 645 HB THR 87 HB THR 87 -11.915 -8.460 1.622 646 HG1 THR 87 HG1 THR 87 -13.226 -6.880 2.153 647 HG21 THR 87 HG21 THR 87 -11.884 -8.771 4.598 648 HG22 THR 87 HG22 THR 87 -10.713 -9.647 3.613 649 HG23 THR 87 HG23 THR 87 -12.440 -9.896 3.360 650 H MET 88 H MET 88 -9.670 -7.840 0.136 651 HA MET 88 HA MET 88 -8.155 -10.232 0.690 652 HB2 MET 88 HB2 MET 88 -8.758 -8.722 -1.851 653 HB3 MET 88 HB3 MET 88 -7.744 -10.158 -1.811 654 HG2 MET 88 HG2 MET 88 -9.574 -11.491 -1.006 655 HG3 MET 88 HG3 MET 88 -10.596 -10.063 -0.861 656 HE1 MET 88 HE1 MET 88 -12.339 -9.656 -2.399 657 HE2 MET 88 HE2 MET 88 -11.224 -8.535 -3.180 658 HE3 MET 88 HE3 MET 88 -12.192 -9.640 -4.156 659 H GLY 89 H GLY 89 -7.515 -6.873 0.307 660 HA2 GLY 89 HA2 GLY 89 -5.544 -5.720 0.662 661 HA3 GLY 89 HA3 GLY 89 -4.742 -7.258 0.940 662 H ILE 90 H ILE 90 -6.554 -6.624 -1.974 663 HA ILE 90 HA ILE 90 -4.065 -6.852 -3.502 664 HB ILE 90 HB ILE 90 -6.906 -7.026 -4.510 665 HG12 ILE 90 HG12 ILE 90 -4.970 -9.282 -3.956 666 HG13 ILE 90 HG13 ILE 90 -6.279 -8.819 -2.873 667 HG21 ILE 90 HG21 ILE 90 -5.326 -8.393 -6.262 668 HG22 ILE 90 HG22 ILE 90 -5.865 -6.728 -6.471 669 HG23 ILE 90 HG23 ILE 90 -4.274 -7.060 -5.788 670 HD11 ILE 90 HD11 ILE 90 -6.412 -10.685 -4.881 671 HD12 ILE 90 HD12 ILE 90 -7.784 -9.930 -4.070 672 HD13 ILE 90 HD13 ILE 90 -7.187 -9.269 -5.592 673 H ASP 91 H ASP 91 -3.507 -5.394 -5.125 674 HA ASP 91 HA ASP 91 -4.983 -2.844 -5.100 675 HB2 ASP 91 HB2 ASP 91 -1.991 -3.145 -5.415 676 HB3 ASP 91 HB3 ASP 91 -2.898 -1.641 -5.278 677 H THR 92 H THR 92 -3.048 -5.120 -6.952 678 HA THR 92 HA THR 92 -4.055 -3.862 -9.421 679 HB THR 92 HB THR 92 -1.385 -5.227 -9.025 680 HG1 THR 92 HG1 THR 92 -2.153 -2.519 -9.445 681 HG21 THR 92 HG21 THR 92 -1.415 -5.615 -11.221 682 HG22 THR 92 HG22 THR 92 -1.467 -3.871 -11.480 683 HG23 THR 92 HG23 THR 92 -2.966 -4.795 -11.391 684 H TRP 93 H TRP 93 -5.826 -5.233 -9.599 685 HA TRP 93 HA TRP 93 -5.184 -8.073 -10.060 686 HB2 TRP 93 HB2 TRP 93 -7.351 -8.680 -9.275 687 HB3 TRP 93 HB3 TRP 93 -6.692 -7.550 -8.095 688 HD1 TRP 93 HD1 TRP 93 -9.404 -7.832 -10.780 689 HE1 TRP 93 HE1 TRP 93 -11.090 -5.916 -10.449 690 HE3 TRP 93 HE3 TRP 93 -6.928 -5.185 -7.174 691 HZ2 TRP 93 HZ2 TRP 93 -11.338 -3.591 -8.869 692 HZ3 TRP 93 HZ3 TRP 93 -7.959 -3.126 -6.306 693 HH2 TRP 93 HH2 TRP 93 -10.118 -2.347 -7.138 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -0.610 4.315 -6.922 2 HA2 GLY 1 HA2 GLY 1 0.097 2.472 -9.070 3 HA3 GLY 1 HA3 GLY 1 1.205 3.500 -8.172 4 H ALA 2 H ALA 2 2.687 1.986 -7.577 5 HA ALA 2 HA ALA 2 3.621 0.242 -6.447 6 HB1 ALA 2 HB1 ALA 2 2.764 1.504 -4.539 7 HB2 ALA 2 HB2 ALA 2 1.233 0.635 -4.647 8 HB3 ALA 2 HB3 ALA 2 2.711 -0.233 -4.234 9 H MET 3 H MET 3 3.211 -1.195 -8.231 10 HA MET 3 HA MET 3 0.868 -2.897 -8.107 11 HB2 MET 3 HB2 MET 3 3.111 -2.480 -10.017 12 HB3 MET 3 HB3 MET 3 2.323 -4.052 -10.025 13 HG2 MET 3 HG2 MET 3 1.049 -2.996 -11.570 14 HG3 MET 3 HG3 MET 3 0.146 -2.567 -10.120 15 HE1 MET 3 HE1 MET 3 3.518 -1.294 -11.681 16 HE2 MET 3 HE2 MET 3 2.403 -1.297 -13.047 17 HE3 MET 3 HE3 MET 3 3.009 0.231 -12.406 18 H ALA 4 H ALA 4 0.901 -4.316 -6.462 19 HA ALA 4 HA ALA 4 2.676 -6.522 -6.537 20 HB1 ALA 4 HB1 ALA 4 3.442 -5.971 -4.050 21 HB2 ALA 4 HB2 ALA 4 4.374 -5.464 -5.460 22 HB3 ALA 4 HB3 ALA 4 3.300 -4.320 -4.654 23 H ASN 5 H ASN 5 1.247 -8.073 -6.135 24 HA ASN 5 HA ASN 5 -0.926 -7.608 -4.246 25 HB2 ASN 5 HB2 ASN 5 -0.678 -10.219 -5.632 26 HB3 ASN 5 HB3 ASN 5 -2.101 -9.217 -5.361 27 HD21 ASN 5 HD21 ASN 5 -2.688 -7.715 -6.864 28 HD22 ASN 5 HD22 ASN 5 -1.934 -7.576 -8.412 29 HA PRO 6 HA PRO 6 0.725 -9.977 -0.942 30 HB2 PRO 6 HB2 PRO 6 -1.487 -11.229 0.013 31 HB3 PRO 6 HB3 PRO 6 -1.197 -9.498 0.223 32 HG2 PRO 6 HG2 PRO 6 -2.919 -10.900 -1.784 33 HG3 PRO 6 HG3 PRO 6 -3.262 -9.437 -0.844 34 HD2 PRO 6 HD2 PRO 6 -2.471 -9.353 -3.432 35 HD3 PRO 6 HD3 PRO 6 -2.044 -8.088 -2.261 36 H LYS 7 H LYS 7 1.665 -11.921 -0.583 37 HA LYS 7 HA LYS 7 1.843 -13.852 -2.545 38 HB2 LYS 7 HB2 LYS 7 2.753 -13.529 0.173 39 HB3 LYS 7 HB3 LYS 7 2.290 -15.201 -0.118 40 HG2 LYS 7 HG2 LYS 7 3.920 -14.008 -2.239 41 HG3 LYS 7 HG3 LYS 7 4.725 -14.140 -0.674 42 HD2 LYS 7 HD2 LYS 7 3.805 -16.564 -0.685 43 HD3 LYS 7 HD3 LYS 7 3.611 -16.305 -2.420 44 HE2 LYS 7 HE2 LYS 7 5.883 -16.133 -2.781 45 HE3 LYS 7 HE3 LYS 7 6.216 -15.647 -1.119 46 HZ1 LYS 7 HZ1 LYS 7 6.779 -17.746 -0.752 47 HZ2 LYS 7 HZ2 LYS 7 6.203 -18.251 -2.260 48 HZ3 LYS 7 HZ3 LYS 7 5.152 -18.173 -0.937 49 H THR 8 H THR 8 -0.406 -13.635 0.147 50 HA THR 8 HA THR 8 -2.149 -15.554 -1.143 51 HB THR 8 HB THR 8 -2.420 -16.797 1.103 52 HG1 THR 8 HG1 THR 8 -0.880 -16.531 2.570 53 HG21 THR 8 HG21 THR 8 -1.342 -17.624 -1.071 54 HG22 THR 8 HG22 THR 8 -0.923 -18.473 0.418 55 HG23 THR 8 HG23 THR 8 0.200 -17.306 -0.278 56 H ILE 9 H ILE 9 -4.298 -15.457 -0.411 57 HA ILE 9 HA ILE 9 -4.872 -13.180 1.372 58 HB ILE 9 HB ILE 9 -7.046 -12.988 0.133 59 HG12 ILE 9 HG12 ILE 9 -6.062 -14.238 -2.292 60 HG13 ILE 9 HG13 ILE 9 -6.223 -15.413 -0.992 61 HG21 ILE 9 HG21 ILE 9 -6.154 -11.625 -1.561 62 HG22 ILE 9 HG22 ILE 9 -4.947 -11.612 -0.276 63 HG23 ILE 9 HG23 ILE 9 -4.701 -12.614 -1.707 64 HD11 ILE 9 HD11 ILE 9 -8.220 -15.065 -2.521 65 HD12 ILE 9 HD12 ILE 9 -8.518 -15.028 -0.782 66 HD13 ILE 9 HD13 ILE 9 -8.437 -13.522 -1.696 67 H LYS 10 H LYS 10 -5.991 -13.601 3.158 68 HA LYS 10 HA LYS 10 -6.616 -16.152 4.036 69 HB2 LYS 10 HB2 LYS 10 -7.044 -13.437 4.955 70 HB3 LYS 10 HB3 LYS 10 -8.413 -14.464 5.359 71 HG2 LYS 10 HG2 LYS 10 -5.584 -15.252 5.977 72 HG3 LYS 10 HG3 LYS 10 -6.562 -14.279 7.079 73 HD2 LYS 10 HD2 LYS 10 -8.276 -16.080 7.055 74 HD3 LYS 10 HD3 LYS 10 -7.178 -17.058 6.077 75 HE2 LYS 10 HE2 LYS 10 -5.551 -17.096 7.843 76 HE3 LYS 10 HE3 LYS 10 -6.495 -15.952 8.797 77 HZ1 LYS 10 HZ1 LYS 10 -6.618 -18.516 9.241 78 HZ2 LYS 10 HZ2 LYS 10 -7.764 -18.467 7.999 79 HZ3 LYS 10 HZ3 LYS 10 -7.991 -17.541 9.396 80 H ALA 11 H ALA 11 -8.361 -17.468 3.922 81 HA ALA 11 HA ALA 11 -10.126 -17.355 1.806 82 HB1 ALA 11 HB1 ALA 11 -11.348 -19.129 2.863 83 HB2 ALA 11 HB2 ALA 11 -9.628 -19.365 3.178 84 HB3 ALA 11 HB3 ALA 11 -10.674 -18.714 4.439 85 H ALA 12 H ALA 12 -10.514 -16.095 5.075 86 HA ALA 12 HA ALA 12 -13.216 -15.503 5.084 87 HB1 ALA 12 HB1 ALA 12 -11.248 -15.136 6.849 88 HB2 ALA 12 HB2 ALA 12 -11.416 -13.478 6.272 89 HB3 ALA 12 HB3 ALA 12 -12.804 -14.313 6.968 90 H ALA 13 H ALA 13 -10.559 -13.772 3.568 91 HA ALA 13 HA ALA 13 -11.940 -11.395 2.949 92 HB1 ALA 13 HB1 ALA 13 -9.455 -11.747 2.862 93 HB2 ALA 13 HB2 ALA 13 -9.700 -12.596 1.336 94 HB3 ALA 13 HB3 ALA 13 -10.141 -10.895 1.479 95 H TYR 14 H TYR 14 -11.728 -14.503 1.330 96 HA TYR 14 HA TYR 14 -12.873 -13.692 -1.131 97 HB2 TYR 14 HB2 TYR 14 -11.596 -15.897 -0.431 98 HB3 TYR 14 HB3 TYR 14 -13.226 -16.478 -0.109 99 HD1 TYR 14 HD1 TYR 14 -14.300 -17.586 -1.819 100 HD2 TYR 14 HD2 TYR 14 -11.372 -14.660 -2.803 101 HE1 TYR 14 HE1 TYR 14 -14.592 -18.106 -4.205 102 HE2 TYR 14 HE2 TYR 14 -11.656 -15.171 -5.192 103 HH TYR 14 HH TYR 14 -12.542 -17.455 -6.492 104 H ASN 15 H ASN 15 -14.272 -15.376 1.682 105 HA ASN 15 HA ASN 15 -16.920 -15.378 0.694 106 HB2 ASN 15 HB2 ASN 15 -15.729 -15.737 3.436 107 HB3 ASN 15 HB3 ASN 15 -17.473 -15.727 3.193 108 HD21 ASN 15 HD21 ASN 15 -14.532 -17.241 1.924 109 HD22 ASN 15 HD22 ASN 15 -15.235 -18.799 1.678 110 H GLN 16 H GLN 16 -15.079 -13.091 2.617 111 HA GLN 16 HA GLN 16 -17.321 -11.458 3.310 112 HB2 GLN 16 HB2 GLN 16 -14.341 -11.021 3.414 113 HB3 GLN 16 HB3 GLN 16 -15.491 -9.780 3.892 114 HG2 GLN 16 HG2 GLN 16 -15.621 -12.509 5.100 115 HG3 GLN 16 HG3 GLN 16 -14.461 -11.319 5.688 116 HE21 GLN 16 HE21 GLN 16 -17.886 -11.900 5.122 117 HE22 GLN 16 HE22 GLN 16 -18.459 -10.834 6.355 118 H ALA 17 H ALA 17 -14.952 -11.489 0.719 119 HA ALA 17 HA ALA 17 -15.561 -8.931 -0.339 120 HB1 ALA 17 HB1 ALA 17 -13.536 -9.685 -1.097 121 HB2 ALA 17 HB2 ALA 17 -14.112 -11.337 -1.327 122 HB3 ALA 17 HB3 ALA 17 -14.560 -10.078 -2.478 123 H ARG 18 H ARG 18 -16.613 -12.205 -1.259 124 HA ARG 18 HA ARG 18 -18.348 -11.329 -3.328 125 HB2 ARG 18 HB2 ARG 18 -19.288 -13.649 -3.160 126 HB3 ARG 18 HB3 ARG 18 -17.547 -13.580 -3.395 127 HG2 ARG 18 HG2 ARG 18 -17.348 -14.945 -1.663 128 HG3 ARG 18 HG3 ARG 18 -17.885 -13.614 -0.636 129 HD2 ARG 18 HD2 ARG 18 -19.203 -15.659 -0.280 130 HD3 ARG 18 HD3 ARG 18 -20.188 -14.321 -0.869 131 HE ARG 18 HE ARG 18 -19.246 -15.982 -2.990 132 HH11 ARG 18 HH11 ARG 18 -21.664 -15.705 -0.501 133 HH12 ARG 18 HH12 ARG 18 -22.819 -16.695 -1.331 134 HH21 ARG 18 HH21 ARG 18 -20.757 -17.286 -4.093 135 HH22 ARG 18 HH22 ARG 18 -22.302 -17.594 -3.374 136 H SER 19 H SER 19 -18.751 -11.907 0.106 137 HA SER 19 HA SER 19 -21.532 -11.986 0.263 138 HB2 SER 19 HB2 SER 19 -20.360 -12.543 2.231 139 HB3 SER 19 HB3 SER 19 -19.412 -11.057 2.192 140 HG SER 19 HG SER 19 -20.910 -10.559 3.642 141 H THR 20 H THR 20 -19.352 -9.185 0.491 142 HA THR 20 HA THR 20 -21.280 -7.215 0.886 143 HB THR 20 HB THR 20 -18.695 -6.912 -0.654 144 HG1 THR 20 HG1 THR 20 -17.886 -6.289 1.439 145 HG21 THR 20 HG21 THR 20 -19.477 -4.832 -0.971 146 HG22 THR 20 HG22 THR 20 -19.149 -4.593 0.745 147 HG23 THR 20 HG23 THR 20 -20.768 -5.043 0.211 148 H LEU 21 H LEU 21 -20.024 -8.593 -2.121 149 HA LEU 21 HA LEU 21 -21.418 -6.846 -3.861 150 HB2 LEU 21 HB2 LEU 21 -20.575 -9.661 -4.498 151 HB3 LEU 21 HB3 LEU 21 -20.780 -8.313 -5.614 152 HG LEU 21 HG LEU 21 -18.692 -8.169 -3.477 153 HD11 LEU 21 HD11 LEU 21 -18.790 -10.215 -5.425 154 HD12 LEU 21 HD12 LEU 21 -17.474 -9.814 -4.323 155 HD13 LEU 21 HD13 LEU 21 -17.544 -9.069 -5.920 156 HD21 LEU 21 HD21 LEU 21 -17.577 -6.775 -5.144 157 HD22 LEU 21 HD22 LEU 21 -19.198 -6.177 -4.792 158 HD23 LEU 21 HD23 LEU 21 -18.892 -7.072 -6.280 159 H ALA 22 H ALA 22 -22.279 -9.808 -2.231 160 HA ALA 22 HA ALA 22 -24.451 -10.665 -3.716 161 HB1 ALA 22 HB1 ALA 22 -24.806 -12.098 -2.026 162 HB2 ALA 22 HB2 ALA 22 -23.296 -11.448 -1.386 163 HB3 ALA 22 HB3 ALA 22 -24.840 -10.818 -0.812 164 H ASP 23 H ASP 23 -24.151 -7.897 -1.647 165 HA ASP 23 HA ASP 23 -26.829 -7.392 -1.044 166 HB2 ASP 23 HB2 ASP 23 -24.449 -6.130 -0.538 167 HB3 ASP 23 HB3 ASP 23 -25.229 -5.000 -1.642 168 H ALA 24 H ALA 24 -24.973 -6.759 -3.952 169 HA ALA 24 HA ALA 24 -27.354 -5.556 -5.195 170 HB1 ALA 24 HB1 ALA 24 -24.493 -5.036 -5.425 171 HB2 ALA 24 HB2 ALA 24 -25.311 -5.175 -6.982 172 HB3 ALA 24 HB3 ALA 24 -25.870 -3.997 -5.794 173 H GLY 25 H GLY 25 -25.208 -8.265 -5.263 174 HA2 GLY 25 HA2 GLY 25 -26.374 -10.238 -6.346 175 HA3 GLY 25 HA3 GLY 25 -26.462 -9.205 -7.765 176 H SER 26 H SER 26 -25.179 -11.809 -7.455 177 HA SER 26 HA SER 26 -22.420 -11.018 -8.123 178 HB2 SER 26 HB2 SER 26 -22.243 -13.677 -7.388 179 HB3 SER 26 HB3 SER 26 -21.798 -12.301 -6.379 180 HG SER 26 HG SER 26 -23.562 -12.560 -5.221 181 H ARG 27 H ARG 27 -21.999 -11.318 -10.198 182 HA ARG 27 HA ARG 27 -23.678 -12.945 -11.862 183 HB2 ARG 27 HB2 ARG 27 -22.468 -10.746 -12.477 184 HB3 ARG 27 HB3 ARG 27 -21.050 -11.759 -12.711 185 HG2 ARG 27 HG2 ARG 27 -23.253 -12.935 -14.083 186 HG3 ARG 27 HG3 ARG 27 -23.140 -11.230 -14.524 187 HD2 ARG 27 HD2 ARG 27 -20.902 -11.478 -15.263 188 HD3 ARG 27 HD3 ARG 27 -20.767 -13.078 -14.536 189 HE ARG 27 HE ARG 27 -22.832 -13.052 -16.465 190 HH11 ARG 27 HH11 ARG 27 -19.363 -13.017 -16.177 191 HH12 ARG 27 HH12 ARG 27 -19.097 -13.782 -17.708 192 HH21 ARG 27 HH21 ARG 27 -22.495 -14.059 -18.484 193 HH22 ARG 27 HH22 ARG 27 -20.880 -14.373 -19.020 194 H THR 28 H THR 28 -20.164 -13.002 -11.235 195 HA THR 28 HA THR 28 -19.921 -15.670 -12.275 196 HB THR 28 HB THR 28 -17.601 -15.489 -11.907 197 HG1 THR 28 HG1 THR 28 -17.020 -14.748 -10.016 198 HG21 THR 28 HG21 THR 28 -17.107 -13.695 -13.214 199 HG22 THR 28 HG22 THR 28 -18.052 -12.579 -12.227 200 HG23 THR 28 HG23 THR 28 -18.862 -13.640 -13.380 201 H ALA 29 H ALA 29 -19.841 -14.170 -9.069 202 HA ALA 29 HA ALA 29 -19.143 -16.424 -7.574 203 HB1 ALA 29 HB1 ALA 29 -19.129 -14.803 -6.055 204 HB2 ALA 29 HB2 ALA 29 -20.161 -13.777 -7.050 205 HB3 ALA 29 HB3 ALA 29 -20.883 -14.964 -5.964 206 H ALA 30 H ALA 30 -22.176 -15.482 -9.006 207 HA ALA 30 HA ALA 30 -23.965 -17.011 -7.517 208 HB1 ALA 30 HB1 ALA 30 -23.943 -15.919 -10.280 209 HB2 ALA 30 HB2 ALA 30 -25.169 -17.119 -9.868 210 HB3 ALA 30 HB3 ALA 30 -25.062 -15.617 -8.951 211 H LYS 31 H LYS 31 -21.766 -17.937 -10.086 212 HA LYS 31 HA LYS 31 -22.803 -20.679 -10.037 213 HB2 LYS 31 HB2 LYS 31 -22.483 -19.578 -12.237 214 HB3 LYS 31 HB3 LYS 31 -20.765 -19.430 -11.890 215 HG2 LYS 31 HG2 LYS 31 -21.372 -22.129 -11.501 216 HG3 LYS 31 HG3 LYS 31 -22.228 -21.653 -12.970 217 HD2 LYS 31 HD2 LYS 31 -20.263 -22.037 -13.987 218 HD3 LYS 31 HD3 LYS 31 -19.802 -20.463 -13.334 219 HE2 LYS 31 HE2 LYS 31 -19.190 -21.952 -11.222 220 HE3 LYS 31 HE3 LYS 31 -19.022 -23.193 -12.463 221 HZ1 LYS 31 HZ1 LYS 31 -17.757 -20.737 -13.201 222 HZ2 LYS 31 HZ2 LYS 31 -17.123 -22.305 -13.160 223 HZ3 LYS 31 HZ3 LYS 31 -17.132 -21.359 -11.758 224 H SER 32 H SER 32 -20.090 -18.744 -9.090 225 HA SER 32 HA SER 32 -18.578 -21.155 -8.353 226 HB2 SER 32 HB2 SER 32 -17.806 -18.411 -9.158 227 HB3 SER 32 HB3 SER 32 -16.829 -19.145 -7.886 228 HG SER 32 HG SER 32 -16.800 -19.632 -10.522 229 H HIS 33 H HIS 33 -18.854 -21.796 -6.329 230 HA HIS 33 HA HIS 33 -19.904 -20.077 -4.297 231 HB2 HIS 33 HB2 HIS 33 -19.223 -22.932 -4.561 232 HB3 HIS 33 HB3 HIS 33 -19.035 -22.276 -2.938 233 HD1 HIS 33 HD1 HIS 33 -21.040 -23.536 -1.978 234 HD2 HIS 33 HD2 HIS 33 -22.000 -21.103 -5.206 235 HE1 HIS 33 HE1 HIS 33 -23.552 -23.443 -2.026 236 HA PRO 34 HA PRO 34 -16.269 -18.535 -2.388 237 HB2 PRO 34 HB2 PRO 34 -16.869 -18.713 0.254 238 HB3 PRO 34 HB3 PRO 34 -17.625 -17.535 -0.826 239 HG2 PRO 34 HG2 PRO 34 -18.676 -20.166 0.140 240 HG3 PRO 34 HG3 PRO 34 -19.518 -18.614 -0.013 241 HD2 PRO 34 HD2 PRO 34 -19.771 -20.595 -1.842 242 HD3 PRO 34 HD3 PRO 34 -19.853 -18.876 -2.279 243 H ILE 35 H ILE 35 -14.887 -19.088 -0.208 244 HA ILE 35 HA ILE 35 -14.078 -21.894 -0.561 245 HB ILE 35 HB ILE 35 -12.447 -19.578 0.488 246 HG12 ILE 35 HG12 ILE 35 -12.228 -21.052 -2.145 247 HG13 ILE 35 HG13 ILE 35 -12.977 -19.471 -1.948 248 HG21 ILE 35 HG21 ILE 35 -10.717 -21.586 -0.235 249 HG22 ILE 35 HG22 ILE 35 -11.217 -21.198 1.410 250 HG23 ILE 35 HG23 ILE 35 -12.053 -22.463 0.511 251 HD11 ILE 35 HD11 ILE 35 -10.419 -19.844 -2.664 252 HD12 ILE 35 HD12 ILE 35 -11.002 -18.412 -1.816 253 HD13 ILE 35 HD13 ILE 35 -10.236 -19.719 -0.915 254 H HIS 36 H HIS 36 -14.335 -23.267 1.071 255 HA HIS 36 HA HIS 36 -14.480 -22.216 3.811 256 HB2 HIS 36 HB2 HIS 36 -16.320 -23.831 4.285 257 HB3 HIS 36 HB3 HIS 36 -16.776 -22.567 3.146 258 HD1 HIS 36 HD1 HIS 36 -16.156 -26.245 3.379 259 HD2 HIS 36 HD2 HIS 36 -17.340 -23.443 0.549 260 HE1 HIS 36 HE1 HIS 36 -17.015 -27.581 1.430 261 H GLY 37 H GLY 37 -14.092 -23.859 5.473 262 HA2 GLY 37 HA2 GLY 37 -12.730 -25.473 6.376 263 HA3 GLY 37 HA3 GLY 37 -13.267 -26.466 5.029 264 H LYS 38 H LYS 38 -11.435 -23.489 4.692 265 HA LYS 38 HA LYS 38 -9.134 -25.088 3.776 266 HB2 LYS 38 HB2 LYS 38 -10.528 -22.774 2.546 267 HB3 LYS 38 HB3 LYS 38 -8.773 -22.794 2.424 268 HG2 LYS 38 HG2 LYS 38 -9.417 -25.344 1.699 269 HG3 LYS 38 HG3 LYS 38 -10.773 -24.418 1.050 270 HD2 LYS 38 HD2 LYS 38 -9.101 -22.878 -0.003 271 HD3 LYS 38 HD3 LYS 38 -7.837 -24.001 0.502 272 HE2 LYS 38 HE2 LYS 38 -8.461 -25.597 -1.011 273 HE3 LYS 38 HE3 LYS 38 -10.149 -25.091 -1.012 274 HZ1 LYS 38 HZ1 LYS 38 -9.372 -23.049 -2.215 275 HZ2 LYS 38 HZ2 LYS 38 -9.261 -24.490 -3.093 276 HZ3 LYS 38 HZ3 LYS 38 -7.873 -23.809 -2.408 277 H THR 39 H THR 39 -7.069 -23.721 3.743 278 HA THR 39 HA THR 39 -6.862 -22.389 6.344 279 HB THR 39 HB THR 39 -4.465 -23.047 4.682 280 HG1 THR 39 HG1 THR 39 -5.333 -25.028 4.604 281 HG21 THR 39 HG21 THR 39 -4.921 -22.084 7.270 282 HG22 THR 39 HG22 THR 39 -3.385 -22.616 6.586 283 HG23 THR 39 HG23 THR 39 -4.394 -23.754 7.478 284 H ASP 40 H ASP 40 -5.865 -21.956 2.959 285 HA ASP 40 HA ASP 40 -6.423 -19.219 2.881 286 HB2 ASP 40 HB2 ASP 40 -3.913 -18.511 2.685 287 HB3 ASP 40 HB3 ASP 40 -4.663 -18.634 4.274 288 H VAL 41 H VAL 41 -6.342 -18.464 0.814 289 HA VAL 41 HA VAL 41 -5.187 -20.286 -1.194 290 HB VAL 41 HB VAL 41 -6.857 -19.152 -2.765 291 HG11 VAL 41 HG11 VAL 41 -6.990 -21.437 -1.339 292 HG12 VAL 41 HG12 VAL 41 -8.454 -20.627 -0.777 293 HG13 VAL 41 HG13 VAL 41 -8.217 -20.930 -2.499 294 HG21 VAL 41 HG21 VAL 41 -7.315 -17.324 -1.036 295 HG22 VAL 41 HG22 VAL 41 -8.702 -18.005 -1.886 296 HG23 VAL 41 HG23 VAL 41 -8.343 -18.513 -0.235 297 HA PRO 42 HA PRO 42 -2.549 -17.110 -2.685 298 HB2 PRO 42 HB2 PRO 42 -2.519 -17.640 -5.347 299 HB3 PRO 42 HB3 PRO 42 -1.704 -18.660 -4.155 300 HG2 PRO 42 HG2 PRO 42 -4.362 -19.046 -5.479 301 HG3 PRO 42 HG3 PRO 42 -3.086 -20.237 -5.161 302 HD2 PRO 42 HD2 PRO 42 -5.291 -20.013 -3.605 303 HD3 PRO 42 HD3 PRO 42 -3.713 -20.507 -2.960 304 H VAL 43 H VAL 43 -2.484 -15.126 -3.805 305 HA VAL 43 HA VAL 43 -4.795 -13.623 -3.875 306 HB VAL 43 HB VAL 43 -2.661 -12.528 -3.847 307 HG11 VAL 43 HG11 VAL 43 -0.955 -13.216 -5.087 308 HG12 VAL 43 HG12 VAL 43 -2.020 -14.363 -5.902 309 HG13 VAL 43 HG13 VAL 43 -1.806 -12.739 -6.556 310 HG21 VAL 43 HG21 VAL 43 -3.362 -10.724 -4.982 311 HG22 VAL 43 HG22 VAL 43 -3.446 -11.597 -6.512 312 HG23 VAL 43 HG23 VAL 43 -4.776 -11.708 -5.359 313 H SER 44 H SER 44 -3.409 -15.647 -6.368 314 HA SER 44 HA SER 44 -4.746 -14.700 -8.612 315 HB2 SER 44 HB2 SER 44 -3.188 -16.984 -7.935 316 HB3 SER 44 HB3 SER 44 -4.642 -17.553 -8.754 317 HG SER 44 HG SER 44 -4.090 -16.457 -10.538 318 H TYR 45 H TYR 45 -5.876 -16.736 -5.999 319 HA TYR 45 HA TYR 45 -8.310 -17.510 -7.293 320 HB2 TYR 45 HB2 TYR 45 -7.008 -18.608 -5.277 321 HB3 TYR 45 HB3 TYR 45 -8.018 -17.532 -4.317 322 HD1 TYR 45 HD1 TYR 45 -10.556 -17.675 -4.663 323 HD2 TYR 45 HD2 TYR 45 -7.846 -20.656 -6.032 324 HE1 TYR 45 HE1 TYR 45 -12.406 -19.290 -4.792 325 HE2 TYR 45 HE2 TYR 45 -9.689 -22.279 -6.166 326 HH TYR 45 HH TYR 45 -11.864 -22.620 -5.910 327 H GLY 46 H GLY 46 -7.496 -15.191 -4.716 328 HA2 GLY 46 HA2 GLY 46 -10.115 -14.202 -4.362 329 HA3 GLY 46 HA3 GLY 46 -8.636 -13.375 -3.896 330 H THR 47 H THR 47 -7.499 -13.212 -6.512 331 HA THR 47 HA THR 47 -8.528 -10.776 -7.380 332 HB THR 47 HB THR 47 -7.247 -11.234 -9.517 333 HG1 THR 47 HG1 THR 47 -7.421 -13.541 -9.424 334 HG21 THR 47 HG21 THR 47 -5.015 -11.572 -8.096 335 HG22 THR 47 HG22 THR 47 -6.125 -11.227 -6.769 336 HG23 THR 47 HG23 THR 47 -5.924 -10.062 -8.078 337 H SER 48 H SER 48 -9.340 -14.052 -8.325 338 HA SER 48 HA SER 48 -10.733 -13.538 -10.686 339 HB2 SER 48 HB2 SER 48 -11.258 -15.669 -8.600 340 HB3 SER 48 HB3 SER 48 -11.912 -15.673 -10.238 341 HG SER 48 HG SER 48 -9.267 -16.053 -9.372 342 H LEU 49 H LEU 49 -11.797 -13.409 -7.323 343 HA LEU 49 HA LEU 49 -14.534 -12.875 -7.970 344 HB2 LEU 49 HB2 LEU 49 -13.312 -13.767 -5.758 345 HB3 LEU 49 HB3 LEU 49 -13.449 -12.060 -5.340 346 HG LEU 49 HG LEU 49 -15.975 -12.985 -6.305 347 HD11 LEU 49 HD11 LEU 49 -15.128 -15.215 -5.650 348 HD12 LEU 49 HD12 LEU 49 -16.503 -14.683 -4.684 349 HD13 LEU 49 HD13 LEU 49 -14.874 -14.606 -4.015 350 HD21 LEU 49 HD21 LEU 49 -15.531 -12.471 -3.429 351 HD22 LEU 49 HD22 LEU 49 -16.740 -11.809 -4.530 352 HD23 LEU 49 HD23 LEU 49 -15.094 -11.174 -4.541 353 H LEU 50 H LEU 50 -11.705 -10.935 -7.204 354 HA LEU 50 HA LEU 50 -13.035 -8.468 -6.857 355 HB2 LEU 50 HB2 LEU 50 -10.454 -9.367 -6.617 356 HB3 LEU 50 HB3 LEU 50 -10.360 -8.304 -8.019 357 HG LEU 50 HG LEU 50 -11.260 -7.556 -5.239 358 HD11 LEU 50 HD11 LEU 50 -8.732 -7.394 -6.713 359 HD12 LEU 50 HD12 LEU 50 -9.042 -7.363 -4.977 360 HD13 LEU 50 HD13 LEU 50 -9.228 -5.892 -5.933 361 HD21 LEU 50 HD21 LEU 50 -12.501 -6.018 -6.290 362 HD22 LEU 50 HD22 LEU 50 -11.698 -6.285 -7.838 363 HD23 LEU 50 HD23 LEU 50 -10.961 -5.229 -6.632 364 H ALA 51 H ALA 51 -11.375 -9.863 -9.681 365 HA ALA 51 HA ALA 51 -12.028 -7.724 -11.428 366 HB1 ALA 51 HB1 ALA 51 -11.612 -9.903 -13.060 367 HB2 ALA 51 HB2 ALA 51 -10.373 -8.789 -12.479 368 HB3 ALA 51 HB3 ALA 51 -10.681 -10.295 -11.614 369 H ALA 52 H ALA 52 -13.598 -10.755 -10.599 370 HA ALA 52 HA ALA 52 -15.463 -10.894 -12.674 371 HB1 ALA 52 HB1 ALA 52 -15.239 -12.020 -9.954 372 HB2 ALA 52 HB2 ALA 52 -16.852 -12.002 -10.668 373 HB3 ALA 52 HB3 ALA 52 -15.530 -12.823 -11.497 374 H ALA 53 H ALA 53 -15.733 -9.352 -9.480 375 HA ALA 53 HA ALA 53 -18.360 -8.344 -9.952 376 HB1 ALA 53 HB1 ALA 53 -18.188 -8.261 -7.733 377 HB2 ALA 53 HB2 ALA 53 -16.425 -8.315 -7.792 378 HB3 ALA 53 HB3 ALA 53 -17.267 -6.774 -7.955 379 H ARG 54 H ARG 54 -15.104 -6.972 -10.163 380 HA ARG 54 HA ARG 54 -15.767 -4.311 -10.613 381 HB2 ARG 54 HB2 ARG 54 -13.502 -4.645 -10.284 382 HB3 ARG 54 HB3 ARG 54 -13.443 -6.033 -11.362 383 HG2 ARG 54 HG2 ARG 54 -13.201 -4.748 -13.234 384 HG3 ARG 54 HG3 ARG 54 -14.042 -3.366 -12.528 385 HD2 ARG 54 HD2 ARG 54 -12.144 -2.485 -11.749 386 HD3 ARG 54 HD3 ARG 54 -11.601 -4.032 -11.101 387 HE ARG 54 HE ARG 54 -11.287 -4.136 -13.860 388 HH11 ARG 54 HH11 ARG 54 -10.028 -2.328 -11.164 389 HH12 ARG 54 HH12 ARG 54 -8.489 -2.042 -11.906 390 HH21 ARG 54 HH21 ARG 54 -9.264 -3.765 -14.848 391 HH22 ARG 54 HH22 ARG 54 -8.056 -2.859 -14.003 392 H ASP 55 H ASP 55 -15.189 -6.869 -13.025 393 HA ASP 55 HA ASP 55 -15.877 -5.262 -15.254 394 HB2 ASP 55 HB2 ASP 55 -14.498 -7.268 -15.489 395 HB3 ASP 55 HB3 ASP 55 -15.847 -8.274 -14.969 396 H GLU 56 H GLU 56 -17.703 -7.527 -13.250 397 HA GLU 56 HA GLU 56 -20.049 -7.623 -14.764 398 HB2 GLU 56 HB2 GLU 56 -19.753 -9.189 -12.986 399 HB3 GLU 56 HB3 GLU 56 -19.576 -7.904 -11.799 400 HG2 GLU 56 HG2 GLU 56 -21.757 -9.044 -11.692 401 HG3 GLU 56 HG3 GLU 56 -21.889 -7.314 -12.002 402 H PHE 57 H PHE 57 -19.192 -5.482 -12.054 403 HA PHE 57 HA PHE 57 -21.566 -3.998 -12.025 404 HB2 PHE 57 HB2 PHE 57 -18.760 -3.237 -11.203 405 HB3 PHE 57 HB3 PHE 57 -20.175 -2.241 -10.882 406 HD1 PHE 57 HD1 PHE 57 -18.080 -3.801 -9.040 407 HD2 PHE 57 HD2 PHE 57 -22.127 -4.407 -10.208 408 HE1 PHE 57 HE1 PHE 57 -18.487 -5.059 -6.965 409 HE2 PHE 57 HE2 PHE 57 -22.541 -5.665 -8.135 410 HZ PHE 57 HZ PHE 57 -20.720 -5.992 -6.510 411 H ARG 58 H ARG 58 -18.799 -3.856 -14.110 412 HA ARG 58 HA ARG 58 -18.976 -1.262 -15.094 413 HB2 ARG 58 HB2 ARG 58 -17.459 -3.497 -15.663 414 HB3 ARG 58 HB3 ARG 58 -18.363 -3.247 -17.151 415 HG2 ARG 58 HG2 ARG 58 -16.753 -1.814 -17.697 416 HG3 ARG 58 HG3 ARG 58 -17.505 -0.716 -16.538 417 HD2 ARG 58 HD2 ARG 58 -15.585 -0.720 -15.417 418 HD3 ARG 58 HD3 ARG 58 -15.909 -2.403 -15.000 419 HE ARG 58 HE ARG 58 -14.753 -2.533 -17.463 420 HH11 ARG 58 HH11 ARG 58 -13.857 -1.119 -14.411 421 HH12 ARG 58 HH12 ARG 58 -12.156 -1.312 -14.672 422 HH21 ARG 58 HH21 ARG 58 -12.515 -2.794 -17.819 423 HH22 ARG 58 HH22 ARG 58 -11.393 -2.264 -16.611 424 H GLN 59 H GLN 59 -20.877 -4.108 -15.846 425 HA GLN 59 HA GLN 59 -22.169 -2.969 -18.132 426 HB2 GLN 59 HB2 GLN 59 -22.068 -5.334 -18.070 427 HB3 GLN 59 HB3 GLN 59 -22.712 -5.396 -16.435 428 HG2 GLN 59 HG2 GLN 59 -24.393 -4.230 -18.593 429 HG3 GLN 59 HG3 GLN 59 -24.201 -5.980 -18.509 430 HE21 GLN 59 HE21 GLN 59 -24.198 -6.532 -15.901 431 HE22 GLN 59 HE22 GLN 59 -25.681 -6.050 -15.158 432 H ALA 60 H ALA 60 -22.912 -3.252 -14.703 433 HA ALA 60 HA ALA 60 -25.584 -2.479 -14.726 434 HB1 ALA 60 HB1 ALA 60 -23.441 -2.023 -12.661 435 HB2 ALA 60 HB2 ALA 60 -25.149 -1.673 -12.394 436 HB3 ALA 60 HB3 ALA 60 -24.628 -3.326 -12.717 437 H ASP 61 H ASP 61 -22.670 -0.455 -14.480 438 HA ASP 61 HA ASP 61 -24.311 1.945 -14.783 439 HB2 ASP 61 HB2 ASP 61 -22.159 3.148 -14.336 440 HB3 ASP 61 HB3 ASP 61 -22.672 2.082 -13.031 441 H LYS 62 H LYS 62 -24.009 0.120 -17.001 442 HA LYS 62 HA LYS 62 -22.122 1.264 -18.843 443 HB2 LYS 62 HB2 LYS 62 -22.817 -1.123 -18.922 444 HB3 LYS 62 HB3 LYS 62 -24.433 -0.609 -19.389 445 HG2 LYS 62 HG2 LYS 62 -23.317 0.543 -21.367 446 HG3 LYS 62 HG3 LYS 62 -21.882 -0.399 -20.952 447 HD2 LYS 62 HD2 LYS 62 -23.351 -2.452 -21.064 448 HD3 LYS 62 HD3 LYS 62 -24.597 -1.418 -21.768 449 HE2 LYS 62 HE2 LYS 62 -23.597 -1.413 -23.766 450 HE3 LYS 62 HE3 LYS 62 -22.014 -1.092 -23.061 451 HZ1 LYS 62 HZ1 LYS 62 -22.019 -3.530 -22.433 452 HZ2 LYS 62 HZ2 LYS 62 -21.831 -3.174 -24.076 453 HZ3 LYS 62 HZ3 LYS 62 -23.326 -3.707 -23.491 454 H LYS 63 H LYS 63 -25.513 1.661 -18.101 455 HA LYS 63 HA LYS 63 -26.190 3.120 -20.454 456 HB2 LYS 63 HB2 LYS 63 -27.951 2.042 -19.241 457 HB3 LYS 63 HB3 LYS 63 -27.517 2.877 -17.754 458 HG2 LYS 63 HG2 LYS 63 -28.163 4.669 -19.970 459 HG3 LYS 63 HG3 LYS 63 -29.498 3.628 -19.468 460 HD2 LYS 63 HD2 LYS 63 -29.855 4.910 -17.688 461 HD3 LYS 63 HD3 LYS 63 -28.199 4.642 -17.140 462 HE2 LYS 63 HE2 LYS 63 -27.429 6.588 -18.085 463 HE3 LYS 63 HE3 LYS 63 -28.684 6.610 -19.322 464 HZ1 LYS 63 HZ1 LYS 63 -29.332 7.027 -16.470 465 HZ2 LYS 63 HZ2 LYS 63 -30.240 7.454 -17.832 466 HZ3 LYS 63 HZ3 LYS 63 -28.831 8.310 -17.452 467 H LEU 64 H LEU 64 -24.645 3.925 -17.484 468 HA LEU 64 HA LEU 64 -25.134 6.776 -17.776 469 HB2 LEU 64 HB2 LEU 64 -23.195 5.648 -15.815 470 HB3 LEU 64 HB3 LEU 64 -24.265 7.040 -15.662 471 HG LEU 64 HG LEU 64 -25.207 4.176 -15.618 472 HD11 LEU 64 HD11 LEU 64 -23.792 4.504 -13.712 473 HD12 LEU 64 HD12 LEU 64 -25.471 4.550 -13.177 474 HD13 LEU 64 HD13 LEU 64 -24.559 6.050 -13.349 475 HD21 LEU 64 HD21 LEU 64 -27.297 4.967 -15.340 476 HD22 LEU 64 HD22 LEU 64 -26.651 6.394 -16.150 477 HD23 LEU 64 HD23 LEU 64 -26.762 6.354 -14.390 478 HA PRO 65 HA PRO 65 -21.472 7.739 -20.001 479 HB2 PRO 65 HB2 PRO 65 -20.896 10.197 -19.001 480 HB3 PRO 65 HB3 PRO 65 -22.249 9.899 -20.099 481 HG2 PRO 65 HG2 PRO 65 -22.254 10.172 -17.118 482 HG3 PRO 65 HG3 PRO 65 -23.384 10.849 -18.305 483 HD2 PRO 65 HD2 PRO 65 -23.947 8.631 -16.857 484 HD3 PRO 65 HD3 PRO 65 -24.549 8.870 -18.510 485 H ALA 66 H ALA 66 -19.179 8.205 -19.780 486 HA ALA 66 HA ALA 66 -17.974 6.767 -17.665 487 HB1 ALA 66 HB1 ALA 66 -16.338 8.664 -19.254 488 HB2 ALA 66 HB2 ALA 66 -16.027 6.982 -18.823 489 HB3 ALA 66 HB3 ALA 66 -17.160 7.366 -20.119 490 H LYS 67 H LYS 67 -18.675 10.146 -18.155 491 HA LYS 67 HA LYS 67 -16.924 11.158 -16.152 492 HB2 LYS 67 HB2 LYS 67 -18.048 13.246 -16.446 493 HB3 LYS 67 HB3 LYS 67 -17.912 12.498 -18.032 494 HG2 LYS 67 HG2 LYS 67 -20.287 11.617 -17.585 495 HG3 LYS 67 HG3 LYS 67 -20.339 12.841 -16.315 496 HD2 LYS 67 HD2 LYS 67 -20.527 14.527 -17.789 497 HD3 LYS 67 HD3 LYS 67 -19.340 13.823 -18.889 498 HE2 LYS 67 HE2 LYS 67 -21.047 12.254 -19.700 499 HE3 LYS 67 HE3 LYS 67 -22.228 12.991 -18.617 500 HZ1 LYS 67 HZ1 LYS 67 -22.534 14.696 -20.002 501 HZ2 LYS 67 HZ2 LYS 67 -21.789 13.732 -21.175 502 HZ3 LYS 67 HZ3 LYS 67 -20.883 14.879 -20.323 503 H ASP 68 H ASP 68 -20.154 9.851 -16.140 504 HA ASP 68 HA ASP 68 -20.596 10.681 -13.377 505 HB2 ASP 68 HB2 ASP 68 -22.361 9.250 -15.370 506 HB3 ASP 68 HB3 ASP 68 -22.836 9.585 -13.707 507 H LYS 69 H LYS 69 -18.483 8.802 -13.973 508 HA LYS 69 HA LYS 69 -19.167 6.785 -12.044 509 HB2 LYS 69 HB2 LYS 69 -18.743 4.851 -13.449 510 HB3 LYS 69 HB3 LYS 69 -20.071 5.790 -14.116 511 HG2 LYS 69 HG2 LYS 69 -18.675 6.686 -15.829 512 HG3 LYS 69 HG3 LYS 69 -17.231 5.993 -15.087 513 HD2 LYS 69 HD2 LYS 69 -17.602 4.397 -16.665 514 HD3 LYS 69 HD3 LYS 69 -18.640 3.752 -15.392 515 HE2 LYS 69 HE2 LYS 69 -20.578 4.793 -16.400 516 HE3 LYS 69 HE3 LYS 69 -19.565 5.562 -17.621 517 HZ1 LYS 69 HZ1 LYS 69 -19.464 2.645 -17.377 518 HZ2 LYS 69 HZ2 LYS 69 -19.285 3.619 -18.748 519 HZ3 LYS 69 HZ3 LYS 69 -20.825 3.334 -18.109 520 H LYS 70 H LYS 70 -17.392 6.033 -10.991 521 HA LYS 70 HA LYS 70 -14.920 7.385 -11.396 522 HB2 LYS 70 HB2 LYS 70 -16.064 6.230 -9.251 523 HB3 LYS 70 HB3 LYS 70 -14.975 4.934 -9.726 524 HG2 LYS 70 HG2 LYS 70 -14.221 7.766 -9.044 525 HG3 LYS 70 HG3 LYS 70 -13.902 6.318 -8.086 526 HD2 LYS 70 HD2 LYS 70 -11.893 6.413 -9.113 527 HD3 LYS 70 HD3 LYS 70 -12.760 5.605 -10.422 528 HE2 LYS 70 HE2 LYS 70 -12.171 7.299 -11.738 529 HE3 LYS 70 HE3 LYS 70 -13.259 8.320 -10.798 530 HZ1 LYS 70 HZ1 LYS 70 -11.359 8.734 -9.273 531 HZ2 LYS 70 HZ2 LYS 70 -11.133 9.347 -10.833 532 HZ3 LYS 70 HZ3 LYS 70 -10.351 7.922 -10.363 533 H SER 71 H SER 71 -13.677 6.935 -13.098 534 HA SER 71 HA SER 71 -12.279 5.784 -14.483 535 HB2 SER 71 HB2 SER 71 -12.430 4.144 -12.134 536 HB3 SER 71 HB3 SER 71 -12.397 3.106 -13.559 537 HG SER 71 HG SER 71 -10.303 3.817 -12.634 538 H ASP 72 H ASP 72 -14.472 3.135 -13.595 539 HA ASP 72 HA ASP 72 -15.924 3.361 -16.084 540 HB2 ASP 72 HB2 ASP 72 -14.124 0.994 -15.535 541 HB3 ASP 72 HB3 ASP 72 -15.377 1.015 -16.772 542 H MET 73 H MET 73 -16.397 3.347 -13.150 543 HA MET 73 HA MET 73 -18.653 1.526 -13.189 544 HB2 MET 73 HB2 MET 73 -18.079 0.502 -11.022 545 HB3 MET 73 HB3 MET 73 -16.911 0.100 -12.273 546 HG2 MET 73 HG2 MET 73 -15.877 2.384 -11.112 547 HG3 MET 73 HG3 MET 73 -16.537 1.473 -9.756 548 HE1 MET 73 HE1 MET 73 -15.951 -1.687 -11.154 549 HE2 MET 73 HE2 MET 73 -14.693 -1.896 -9.936 550 HE3 MET 73 HE3 MET 73 -16.191 -1.060 -9.523 551 H SER 74 H SER 74 -20.335 2.192 -11.904 552 HA SER 74 HA SER 74 -20.419 4.904 -11.153 553 HB2 SER 74 HB2 SER 74 -22.427 3.631 -11.794 554 HB3 SER 74 HB3 SER 74 -22.273 2.652 -10.335 555 HG SER 74 HG SER 74 -22.442 5.460 -10.175 556 H ILE 75 H ILE 75 -20.425 5.907 -9.151 557 HA ILE 75 HA ILE 75 -18.611 5.105 -7.250 558 HB ILE 75 HB ILE 75 -21.034 6.862 -6.858 559 HG12 ILE 75 HG12 ILE 75 -18.877 8.504 -6.851 560 HG13 ILE 75 HG13 ILE 75 -18.315 7.253 -7.954 561 HG21 ILE 75 HG21 ILE 75 -19.714 7.778 -4.926 562 HG22 ILE 75 HG22 ILE 75 -20.351 6.150 -4.697 563 HG23 ILE 75 HG23 ILE 75 -18.647 6.383 -5.089 564 HD11 ILE 75 HD11 ILE 75 -20.870 7.778 -8.832 565 HD12 ILE 75 HD12 ILE 75 -20.253 9.363 -8.366 566 HD13 ILE 75 HD13 ILE 75 -19.374 8.384 -9.540 567 H ALA 76 H ALA 76 -21.993 4.260 -7.521 568 HA ALA 76 HA ALA 76 -22.352 3.213 -4.923 569 HB1 ALA 76 HB1 ALA 76 -24.349 3.599 -5.997 570 HB2 ALA 76 HB2 ALA 76 -23.785 2.916 -7.523 571 HB3 ALA 76 HB3 ALA 76 -24.194 1.852 -6.177 572 H HIS 77 H HIS 77 -21.432 1.687 -7.994 573 HA HIS 77 HA HIS 77 -21.172 -0.920 -6.827 574 HB2 HIS 77 HB2 HIS 77 -20.144 0.100 -9.483 575 HB3 HIS 77 HB3 HIS 77 -20.293 -1.588 -9.006 576 HD1 HIS 77 HD1 HIS 77 -21.976 0.826 -10.954 577 HD2 HIS 77 HD2 HIS 77 -23.220 -2.113 -8.294 578 HE1 HIS 77 HE1 HIS 77 -24.395 0.406 -11.499 579 H TYR 78 H TYR 78 -18.990 1.715 -7.655 580 HA TYR 78 HA TYR 78 -16.546 0.425 -7.381 581 HB2 TYR 78 HB2 TYR 78 -16.869 2.757 -8.204 582 HB3 TYR 78 HB3 TYR 78 -17.168 3.265 -6.545 583 HD1 TYR 78 HD1 TYR 78 -15.300 2.905 -4.838 584 HD2 TYR 78 HD2 TYR 78 -14.685 2.644 -9.040 585 HE1 TYR 78 HE1 TYR 78 -12.886 3.231 -4.499 586 HE2 TYR 78 HE2 TYR 78 -12.269 2.967 -8.712 587 HH TYR 78 HH TYR 78 -10.820 4.151 -6.760 588 H ASN 79 H ASN 79 -18.614 1.885 -4.911 589 HA ASN 79 HA ASN 79 -16.900 1.673 -2.726 590 HB2 ASN 79 HB2 ASN 79 -19.824 1.915 -3.114 591 HB3 ASN 79 HB3 ASN 79 -19.310 1.271 -1.557 592 HD21 ASN 79 HD21 ASN 79 -20.307 3.967 -2.872 593 HD22 ASN 79 HD22 ASN 79 -19.369 5.140 -2.017 594 H ALA 80 H ALA 80 -18.935 -0.727 -4.271 595 HA ALA 80 HA ALA 80 -18.664 -2.700 -2.223 596 HB1 ALA 80 HB1 ALA 80 -19.723 -2.672 -5.011 597 HB2 ALA 80 HB2 ALA 80 -19.406 -4.218 -4.222 598 HB3 ALA 80 HB3 ALA 80 -20.538 -3.075 -3.499 599 H VAL 81 H VAL 81 -17.115 -2.189 -5.382 600 HA VAL 81 HA VAL 81 -15.496 -4.450 -5.423 601 HB VAL 81 HB VAL 81 -14.706 -1.745 -6.505 602 HG11 VAL 81 HG11 VAL 81 -12.877 -3.212 -6.680 603 HG12 VAL 81 HG12 VAL 81 -13.904 -4.570 -7.141 604 HG13 VAL 81 HG13 VAL 81 -13.641 -3.239 -8.268 605 HG21 VAL 81 HG21 VAL 81 -16.883 -3.529 -7.259 606 HG22 VAL 81 HG22 VAL 81 -16.582 -1.853 -7.718 607 HG23 VAL 81 HG23 VAL 81 -15.792 -3.163 -8.596 608 H HIS 82 H HIS 82 -14.710 -1.188 -4.224 609 HA HIS 82 HA HIS 82 -12.115 -1.710 -3.367 610 HB2 HIS 82 HB2 HIS 82 -12.851 0.554 -3.459 611 HB3 HIS 82 HB3 HIS 82 -14.188 0.236 -2.358 612 HD1 HIS 82 HD1 HIS 82 -10.400 0.391 -2.329 613 HD2 HIS 82 HD2 HIS 82 -13.628 0.703 0.267 614 HE1 HIS 82 HE1 HIS 82 -9.423 1.103 -0.124 615 H SER 83 H SER 83 -15.197 -2.289 -1.778 616 HA SER 83 HA SER 83 -14.242 -2.858 0.796 617 HB2 SER 83 HB2 SER 83 -16.729 -2.866 -0.493 618 HB3 SER 83 HB3 SER 83 -16.513 -4.516 0.091 619 HG SER 83 HG SER 83 -16.450 -3.807 2.133 620 H ALA 84 H ALA 84 -14.800 -4.980 -1.991 621 HA ALA 84 HA ALA 84 -13.998 -7.362 -0.650 622 HB1 ALA 84 HB1 ALA 84 -15.427 -7.626 -2.510 623 HB2 ALA 84 HB2 ALA 84 -14.367 -6.678 -3.555 624 HB3 ALA 84 HB3 ALA 84 -13.864 -8.277 -3.006 625 H ALA 85 H ALA 85 -12.380 -5.266 -3.034 626 HA ALA 85 HA ALA 85 -9.964 -6.651 -3.172 627 HB1 ALA 85 HB1 ALA 85 -9.026 -4.662 -4.128 628 HB2 ALA 85 HB2 ALA 85 -10.684 -4.829 -4.706 629 HB3 ALA 85 HB3 ALA 85 -10.307 -3.668 -3.433 630 H LYS 86 H LYS 86 -11.102 -4.254 -0.866 631 HA LYS 86 HA LYS 86 -8.634 -3.762 0.411 632 HB2 LYS 86 HB2 LYS 86 -10.587 -2.297 0.674 633 HB3 LYS 86 HB3 LYS 86 -11.440 -3.578 1.525 634 HG2 LYS 86 HG2 LYS 86 -10.330 -3.223 3.453 635 HG3 LYS 86 HG3 LYS 86 -8.818 -2.819 2.636 636 HD2 LYS 86 HD2 LYS 86 -9.230 -0.643 2.851 637 HD3 LYS 86 HD3 LYS 86 -10.801 -0.823 2.066 638 HE2 LYS 86 HE2 LYS 86 -11.544 -1.749 4.385 639 HE3 LYS 86 HE3 LYS 86 -10.109 -0.910 4.974 640 HZ1 LYS 86 HZ1 LYS 86 -11.016 1.108 4.586 641 HZ2 LYS 86 HZ2 LYS 86 -12.464 0.258 4.789 642 HZ3 LYS 86 HZ3 LYS 86 -11.895 0.599 3.233 643 H THR 87 H THR 87 -11.250 -6.054 1.106 644 HA THR 87 HA THR 87 -10.107 -7.136 3.449 645 HB THR 87 HB THR 87 -11.830 -8.817 1.673 646 HG1 THR 87 HG1 THR 87 -13.594 -7.532 2.848 647 HG21 THR 87 HG21 THR 87 -11.862 -8.279 4.645 648 HG22 THR 87 HG22 THR 87 -11.065 -9.648 3.870 649 HG23 THR 87 HG23 THR 87 -12.819 -9.487 3.787 650 H MET 88 H MET 88 -9.781 -7.941 0.038 651 HA MET 88 HA MET 88 -8.246 -10.324 0.550 652 HB2 MET 88 HB2 MET 88 -8.874 -8.781 -1.965 653 HB3 MET 88 HB3 MET 88 -7.854 -10.213 -1.955 654 HG2 MET 88 HG2 MET 88 -9.673 -11.563 -1.146 655 HG3 MET 88 HG3 MET 88 -10.699 -10.140 -0.985 656 HE1 MET 88 HE1 MET 88 -12.213 -9.343 -2.572 657 HE2 MET 88 HE2 MET 88 -10.978 -8.496 -3.504 658 HE3 MET 88 HE3 MET 88 -12.158 -9.518 -4.326 659 H GLY 89 H GLY 89 -7.608 -6.961 0.209 660 HA2 GLY 89 HA2 GLY 89 -5.641 -5.796 0.513 661 HA3 GLY 89 HA3 GLY 89 -4.846 -7.327 0.853 662 H ILE 90 H ILE 90 -6.611 -6.788 -2.108 663 HA ILE 90 HA ILE 90 -4.121 -7.129 -3.599 664 HB ILE 90 HB ILE 90 -6.949 -7.125 -4.656 665 HG12 ILE 90 HG12 ILE 90 -5.189 -9.494 -3.992 666 HG13 ILE 90 HG13 ILE 90 -6.518 -8.929 -2.985 667 HG21 ILE 90 HG21 ILE 90 -5.401 -8.644 -6.331 668 HG22 ILE 90 HG22 ILE 90 -5.871 -6.968 -6.608 669 HG23 ILE 90 HG23 ILE 90 -4.309 -7.336 -5.878 670 HD11 ILE 90 HD11 ILE 90 -6.778 -10.883 -4.767 671 HD12 ILE 90 HD12 ILE 90 -8.095 -9.785 -4.355 672 HD13 ILE 90 HD13 ILE 90 -7.141 -9.510 -5.812 673 H ASP 91 H ASP 91 -3.402 -5.702 -5.160 674 HA ASP 91 HA ASP 91 -4.604 -3.018 -5.043 675 HB2 ASP 91 HB2 ASP 91 -1.825 -3.994 -5.091 676 HB3 ASP 91 HB3 ASP 91 -2.142 -2.622 -6.150 677 H THR 92 H THR 92 -2.727 -5.027 -7.320 678 HA THR 92 HA THR 92 -4.368 -3.907 -9.499 679 HB THR 92 HB THR 92 -2.150 -3.177 -9.883 680 HG1 THR 92 HG1 THR 92 -3.295 -4.388 -11.651 681 HG21 THR 92 HG21 THR 92 -0.520 -5.415 -10.111 682 HG22 THR 92 HG22 THR 92 -1.448 -5.700 -8.639 683 HG23 THR 92 HG23 THR 92 -0.495 -4.226 -8.809 684 H TRP 93 H TRP 93 -5.945 -5.449 -9.645 685 HA TRP 93 HA TRP 93 -5.086 -8.234 -10.032 686 HB2 TRP 93 HB2 TRP 93 -7.354 -8.885 -9.473 687 HB3 TRP 93 HB3 TRP 93 -6.734 -7.810 -8.223 688 HD1 TRP 93 HD1 TRP 93 -9.434 -8.072 -10.871 689 HE1 TRP 93 HE1 TRP 93 -11.052 -6.085 -10.626 690 HE3 TRP 93 HE3 TRP 93 -6.803 -5.298 -7.477 691 HZ2 TRP 93 HZ2 TRP 93 -11.194 -3.662 -9.185 692 HZ3 TRP 93 HZ3 TRP 93 -7.749 -3.158 -6.717 693 HH2 TRP 93 HH2 TRP 93 -9.899 -2.358 -7.555 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -0.028 4.823 -9.085 2 HA2 GLY 1 HA2 GLY 1 -0.372 4.982 -6.426 3 HA3 GLY 1 HA3 GLY 1 -1.507 3.710 -6.852 4 H ALA 2 H ALA 2 -0.676 1.803 -6.343 5 HA ALA 2 HA ALA 2 2.148 1.292 -7.017 6 HB1 ALA 2 HB1 ALA 2 1.666 1.464 -4.555 7 HB2 ALA 2 HB2 ALA 2 0.681 0.010 -4.724 8 HB3 ALA 2 HB3 ALA 2 2.408 -0.049 -5.077 9 H MET 3 H MET 3 2.661 -0.978 -7.459 10 HA MET 3 HA MET 3 0.362 -2.551 -8.390 11 HB2 MET 3 HB2 MET 3 2.896 -2.093 -9.975 12 HB3 MET 3 HB3 MET 3 1.551 -3.121 -10.453 13 HG2 MET 3 HG2 MET 3 0.091 -1.167 -10.555 14 HG3 MET 3 HG3 MET 3 1.438 -0.138 -10.074 15 HE1 MET 3 HE1 MET 3 2.347 1.337 -12.871 16 HE2 MET 3 HE2 MET 3 2.782 0.902 -11.218 17 HE3 MET 3 HE3 MET 3 3.722 0.273 -12.573 18 H ALA 4 H ALA 4 0.548 -4.020 -6.724 19 HA ALA 4 HA ALA 4 2.342 -6.156 -7.070 20 HB1 ALA 4 HB1 ALA 4 4.140 -5.125 -6.131 21 HB2 ALA 4 HB2 ALA 4 3.151 -4.064 -5.129 22 HB3 ALA 4 HB3 ALA 4 3.384 -5.749 -4.665 23 H ASN 5 H ASN 5 0.848 -7.668 -6.689 24 HA ASN 5 HA ASN 5 -1.112 -7.356 -4.588 25 HB2 ASN 5 HB2 ASN 5 -0.809 -9.933 -6.052 26 HB3 ASN 5 HB3 ASN 5 -2.272 -9.066 -5.596 27 HD21 ASN 5 HD21 ASN 5 -2.066 -6.674 -6.686 28 HD22 ASN 5 HD22 ASN 5 -1.906 -6.765 -8.404 29 HA PRO 6 HA PRO 6 0.868 -9.645 -1.411 30 HB2 PRO 6 HB2 PRO 6 -1.230 -10.946 -0.280 31 HB3 PRO 6 HB3 PRO 6 -0.968 -9.207 -0.102 32 HG2 PRO 6 HG2 PRO 6 -2.806 -10.665 -1.961 33 HG3 PRO 6 HG3 PRO 6 -3.112 -9.204 -1.004 34 HD2 PRO 6 HD2 PRO 6 -2.527 -9.119 -3.646 35 HD3 PRO 6 HD3 PRO 6 -2.042 -7.836 -2.519 36 H LYS 7 H LYS 7 1.724 -11.648 -0.920 37 HA LYS 7 HA LYS 7 1.916 -13.559 -2.927 38 HB2 LYS 7 HB2 LYS 7 2.767 -13.310 -0.142 39 HB3 LYS 7 HB3 LYS 7 2.463 -14.975 -0.618 40 HG2 LYS 7 HG2 LYS 7 3.973 -14.609 -2.573 41 HG3 LYS 7 HG3 LYS 7 4.377 -13.033 -1.889 42 HD2 LYS 7 HD2 LYS 7 4.600 -15.321 -0.044 43 HD3 LYS 7 HD3 LYS 7 5.754 -15.302 -1.380 44 HE2 LYS 7 HE2 LYS 7 5.424 -12.710 -0.072 45 HE3 LYS 7 HE3 LYS 7 6.038 -13.968 1.000 46 HZ1 LYS 7 HZ1 LYS 7 7.431 -14.221 -1.374 47 HZ2 LYS 7 HZ2 LYS 7 8.019 -13.636 0.100 48 HZ3 LYS 7 HZ3 LYS 7 7.392 -12.561 -1.046 49 H THR 8 H THR 8 -0.294 -13.355 -0.202 50 HA THR 8 HA THR 8 -2.026 -15.310 -1.467 51 HB THR 8 HB THR 8 -2.307 -16.504 0.790 52 HG1 THR 8 HG1 THR 8 -0.712 -16.266 2.256 53 HG21 THR 8 HG21 THR 8 -0.776 -18.162 0.176 54 HG22 THR 8 HG22 THR 8 0.378 -16.991 -0.462 55 HG23 THR 8 HG23 THR 8 -1.112 -17.329 -1.341 56 H ILE 9 H ILE 9 -4.065 -15.604 -0.020 57 HA ILE 9 HA ILE 9 -4.706 -13.155 1.448 58 HB ILE 9 HB ILE 9 -6.901 -13.003 0.258 59 HG12 ILE 9 HG12 ILE 9 -5.782 -14.452 -2.073 60 HG13 ILE 9 HG13 ILE 9 -6.338 -15.450 -0.733 61 HG21 ILE 9 HG21 ILE 9 -6.078 -11.563 -1.332 62 HG22 ILE 9 HG22 ILE 9 -4.681 -11.725 -0.270 63 HG23 ILE 9 HG23 ILE 9 -4.753 -12.638 -1.777 64 HD11 ILE 9 HD11 ILE 9 -8.539 -14.640 -0.918 65 HD12 ILE 9 HD12 ILE 9 -8.046 -13.325 -1.985 66 HD13 ILE 9 HD13 ILE 9 -8.005 -14.991 -2.562 67 H LYS 10 H LYS 10 -6.225 -13.404 3.047 68 HA LYS 10 HA LYS 10 -6.641 -16.029 4.043 69 HB2 LYS 10 HB2 LYS 10 -7.080 -13.312 4.938 70 HB3 LYS 10 HB3 LYS 10 -8.457 -14.331 5.338 71 HG2 LYS 10 HG2 LYS 10 -7.208 -14.684 7.192 72 HG3 LYS 10 HG3 LYS 10 -6.530 -15.954 6.170 73 HD2 LYS 10 HD2 LYS 10 -4.704 -14.793 7.169 74 HD3 LYS 10 HD3 LYS 10 -4.763 -14.316 5.471 75 HE2 LYS 10 HE2 LYS 10 -5.727 -12.218 6.003 76 HE3 LYS 10 HE3 LYS 10 -6.059 -12.712 7.662 77 HZ1 LYS 10 HZ1 LYS 10 -4.085 -11.953 8.261 78 HZ2 LYS 10 HZ2 LYS 10 -3.789 -11.432 6.679 79 HZ3 LYS 10 HZ3 LYS 10 -3.308 -12.980 7.163 80 H ALA 11 H ALA 11 -8.374 -17.362 3.946 81 HA ALA 11 HA ALA 11 -10.137 -17.291 1.827 82 HB1 ALA 11 HB1 ALA 11 -10.943 -19.239 2.631 83 HB2 ALA 11 HB2 ALA 11 -9.555 -19.115 3.713 84 HB3 ALA 11 HB3 ALA 11 -11.150 -18.605 4.265 85 H ALA 12 H ALA 12 -10.553 -16.009 5.087 86 HA ALA 12 HA ALA 12 -13.258 -15.432 5.068 87 HB1 ALA 12 HB1 ALA 12 -11.085 -14.852 6.717 88 HB2 ALA 12 HB2 ALA 12 -11.784 -13.286 6.303 89 HB3 ALA 12 HB3 ALA 12 -12.788 -14.531 7.044 90 H ALA 13 H ALA 13 -10.601 -13.707 3.553 91 HA ALA 13 HA ALA 13 -11.975 -11.332 2.919 92 HB1 ALA 13 HB1 ALA 13 -9.624 -12.659 1.580 93 HB2 ALA 13 HB2 ALA 13 -10.203 -11.038 1.196 94 HB3 ALA 13 HB3 ALA 13 -9.583 -11.393 2.808 95 H TYR 14 H TYR 14 -11.763 -14.447 1.310 96 HA TYR 14 HA TYR 14 -12.925 -13.639 -1.147 97 HB2 TYR 14 HB2 TYR 14 -11.616 -15.823 -0.493 98 HB3 TYR 14 HB3 TYR 14 -13.222 -16.430 -0.104 99 HD1 TYR 14 HD1 TYR 14 -14.290 -17.615 -1.762 100 HD2 TYR 14 HD2 TYR 14 -11.553 -14.557 -2.882 101 HE1 TYR 14 HE1 TYR 14 -14.662 -18.159 -4.132 102 HE2 TYR 14 HE2 TYR 14 -11.918 -15.091 -5.255 103 HH TYR 14 HH TYR 14 -14.420 -17.264 -6.286 104 H ASN 15 H ASN 15 -14.293 -15.342 1.669 105 HA ASN 15 HA ASN 15 -16.944 -15.379 0.701 106 HB2 ASN 15 HB2 ASN 15 -15.576 -15.984 3.239 107 HB3 ASN 15 HB3 ASN 15 -17.253 -15.476 3.413 108 HD21 ASN 15 HD21 ASN 15 -15.218 -18.044 2.848 109 HD22 ASN 15 HD22 ASN 15 -16.376 -19.180 2.253 110 H GLN 16 H GLN 16 -15.126 -13.053 2.602 111 HA GLN 16 HA GLN 16 -17.388 -11.440 3.279 112 HB2 GLN 16 HB2 GLN 16 -15.400 -11.401 4.674 113 HB3 GLN 16 HB3 GLN 16 -14.427 -10.836 3.322 114 HG2 GLN 16 HG2 GLN 16 -14.875 -8.983 4.746 115 HG3 GLN 16 HG3 GLN 16 -15.806 -8.774 3.264 116 HE21 GLN 16 HE21 GLN 16 -17.952 -8.545 3.393 117 HE22 GLN 16 HE22 GLN 16 -18.874 -8.670 4.848 118 H ALA 17 H ALA 17 -15.000 -11.454 0.702 119 HA ALA 17 HA ALA 17 -15.621 -8.914 -0.377 120 HB1 ALA 17 HB1 ALA 17 -14.590 -9.968 -2.494 121 HB2 ALA 17 HB2 ALA 17 -13.574 -9.767 -1.066 122 HB3 ALA 17 HB3 ALA 17 -14.250 -11.350 -1.451 123 H ARG 18 H ARG 18 -16.682 -12.192 -1.276 124 HA ARG 18 HA ARG 18 -18.429 -11.316 -3.336 125 HB2 ARG 18 HB2 ARG 18 -19.367 -13.643 -3.154 126 HB3 ARG 18 HB3 ARG 18 -17.631 -13.563 -3.425 127 HG2 ARG 18 HG2 ARG 18 -17.362 -14.903 -1.686 128 HG3 ARG 18 HG3 ARG 18 -17.950 -13.601 -0.650 129 HD2 ARG 18 HD2 ARG 18 -19.186 -15.709 -0.322 130 HD3 ARG 18 HD3 ARG 18 -20.220 -14.393 -0.876 131 HE ARG 18 HE ARG 18 -19.205 -16.051 -2.997 132 HH11 ARG 18 HH11 ARG 18 -21.734 -15.632 -0.640 133 HH12 ARG 18 HH12 ARG 18 -22.889 -16.576 -1.520 134 HH21 ARG 18 HH21 ARG 18 -20.718 -17.296 -4.165 135 HH22 ARG 18 HH22 ARG 18 -22.310 -17.524 -3.524 136 H SER 19 H SER 19 -18.806 -11.901 0.099 137 HA SER 19 HA SER 19 -21.586 -11.991 0.275 138 HB2 SER 19 HB2 SER 19 -20.413 -12.546 2.239 139 HB3 SER 19 HB3 SER 19 -19.449 -11.070 2.187 140 HG SER 19 HG SER 19 -21.146 -9.918 2.923 141 H THR 20 H THR 20 -19.413 -9.183 0.478 142 HA THR 20 HA THR 20 -21.340 -7.218 0.897 143 HB THR 20 HB THR 20 -18.804 -6.871 -0.711 144 HG1 THR 20 HG1 THR 20 -19.135 -6.528 2.095 145 HG21 THR 20 HG21 THR 20 -19.079 -4.635 -0.516 146 HG22 THR 20 HG22 THR 20 -19.791 -4.758 1.093 147 HG23 THR 20 HG23 THR 20 -20.780 -5.062 -0.335 148 H LEU 21 H LEU 21 -20.131 -8.607 -2.123 149 HA LEU 21 HA LEU 21 -21.572 -6.862 -3.837 150 HB2 LEU 21 HB2 LEU 21 -20.679 -9.650 -4.515 151 HB3 LEU 21 HB3 LEU 21 -20.913 -8.288 -5.609 152 HG LEU 21 HG LEU 21 -18.806 -8.176 -3.483 153 HD11 LEU 21 HD11 LEU 21 -18.896 -10.082 -5.610 154 HD12 LEU 21 HD12 LEU 21 -17.640 -9.821 -4.400 155 HD13 LEU 21 HD13 LEU 21 -17.604 -8.921 -5.916 156 HD21 LEU 21 HD21 LEU 21 -19.487 -6.167 -4.816 157 HD22 LEU 21 HD22 LEU 21 -18.902 -7.001 -6.256 158 HD23 LEU 21 HD23 LEU 21 -17.783 -6.603 -4.951 159 H ALA 22 H ALA 22 -22.340 -9.855 -2.219 160 HA ALA 22 HA ALA 22 -24.509 -10.756 -3.684 161 HB1 ALA 22 HB1 ALA 22 -23.307 -11.525 -1.374 162 HB2 ALA 22 HB2 ALA 22 -24.858 -10.936 -0.776 163 HB3 ALA 22 HB3 ALA 22 -24.809 -12.207 -1.998 164 H ASP 23 H ASP 23 -24.253 -7.996 -1.597 165 HA ASP 23 HA ASP 23 -26.935 -7.560 -0.960 166 HB2 ASP 23 HB2 ASP 23 -24.628 -5.663 -1.371 167 HB3 ASP 23 HB3 ASP 23 -26.225 -5.102 -0.881 168 H ALA 24 H ALA 24 -25.128 -6.853 -3.884 169 HA ALA 24 HA ALA 24 -27.551 -5.700 -5.090 170 HB1 ALA 24 HB1 ALA 24 -24.637 -5.397 -5.738 171 HB2 ALA 24 HB2 ALA 24 -25.895 -4.962 -6.895 172 HB3 ALA 24 HB3 ALA 24 -25.816 -4.150 -5.332 173 H GLY 25 H GLY 25 -25.343 -8.361 -5.211 174 HA2 GLY 25 HA2 GLY 25 -26.483 -10.356 -6.280 175 HA3 GLY 25 HA3 GLY 25 -26.627 -9.319 -7.691 176 H SER 26 H SER 26 -25.272 -11.893 -7.417 177 HA SER 26 HA SER 26 -22.550 -11.030 -8.146 178 HB2 SER 26 HB2 SER 26 -22.281 -13.681 -7.416 179 HB3 SER 26 HB3 SER 26 -21.858 -12.293 -6.413 180 HG SER 26 HG SER 26 -23.234 -13.569 -5.231 181 H ARG 27 H ARG 27 -22.174 -11.318 -10.232 182 HA ARG 27 HA ARG 27 -23.845 -12.996 -11.853 183 HB2 ARG 27 HB2 ARG 27 -22.740 -10.765 -12.510 184 HB3 ARG 27 HB3 ARG 27 -21.278 -11.712 -12.754 185 HG2 ARG 27 HG2 ARG 27 -22.828 -13.187 -14.248 186 HG3 ARG 27 HG3 ARG 27 -23.830 -11.735 -14.290 187 HD2 ARG 27 HD2 ARG 27 -21.140 -10.953 -14.729 188 HD3 ARG 27 HD3 ARG 27 -21.481 -12.325 -15.782 189 HE ARG 27 HE ARG 27 -23.589 -10.455 -15.923 190 HH11 ARG 27 HH11 ARG 27 -20.281 -10.907 -16.912 191 HH12 ARG 27 HH12 ARG 27 -20.423 -9.891 -18.309 192 HH21 ARG 27 HH21 ARG 27 -23.788 -9.116 -17.759 193 HH22 ARG 27 HH22 ARG 27 -22.418 -8.872 -18.789 194 H THR 28 H THR 28 -20.316 -12.942 -11.318 195 HA THR 28 HA THR 28 -20.014 -15.601 -12.365 196 HB THR 28 HB THR 28 -17.693 -15.348 -12.050 197 HG1 THR 28 HG1 THR 28 -16.894 -14.367 -10.350 198 HG21 THR 28 HG21 THR 28 -19.122 -13.438 -13.398 199 HG22 THR 28 HG22 THR 28 -17.371 -13.634 -13.467 200 HG23 THR 28 HG23 THR 28 -18.084 -12.463 -12.359 201 H ALA 29 H ALA 29 -19.908 -14.102 -9.160 202 HA ALA 29 HA ALA 29 -19.103 -16.334 -7.685 203 HB1 ALA 29 HB1 ALA 29 -19.207 -14.861 -6.032 204 HB2 ALA 29 HB2 ALA 29 -19.967 -13.710 -7.133 205 HB3 ALA 29 HB3 ALA 29 -20.965 -14.794 -6.163 206 H ALA 30 H ALA 30 -22.198 -15.483 -9.039 207 HA ALA 30 HA ALA 30 -23.900 -17.072 -7.510 208 HB1 ALA 30 HB1 ALA 30 -23.984 -15.915 -10.233 209 HB2 ALA 30 HB2 ALA 30 -25.123 -17.214 -9.877 210 HB3 ALA 30 HB3 ALA 30 -25.119 -15.750 -8.893 211 H LYS 31 H LYS 31 -21.759 -17.916 -10.160 212 HA LYS 31 HA LYS 31 -22.718 -20.681 -10.123 213 HB2 LYS 31 HB2 LYS 31 -22.402 -19.525 -12.303 214 HB3 LYS 31 HB3 LYS 31 -20.685 -19.386 -11.948 215 HG2 LYS 31 HG2 LYS 31 -20.758 -21.953 -11.709 216 HG3 LYS 31 HG3 LYS 31 -22.288 -21.830 -12.580 217 HD2 LYS 31 HD2 LYS 31 -21.260 -21.443 -14.529 218 HD3 LYS 31 HD3 LYS 31 -20.162 -20.264 -13.808 219 HE2 LYS 31 HE2 LYS 31 -18.864 -22.207 -12.876 220 HE3 LYS 31 HE3 LYS 31 -19.872 -23.262 -13.864 221 HZ1 LYS 31 HZ1 LYS 31 -17.568 -21.932 -14.631 222 HZ2 LYS 31 HZ2 LYS 31 -18.837 -21.161 -15.442 223 HZ3 LYS 31 HZ3 LYS 31 -18.611 -22.829 -15.615 224 H SER 32 H SER 32 -20.046 -18.708 -9.139 225 HA SER 32 HA SER 32 -18.514 -21.108 -8.395 226 HB2 SER 32 HB2 SER 32 -17.697 -18.283 -9.015 227 HB3 SER 32 HB3 SER 32 -16.649 -19.325 -8.052 228 HG SER 32 HG SER 32 -16.473 -19.261 -10.506 229 H HIS 33 H HIS 33 -18.869 -21.711 -6.368 230 HA HIS 33 HA HIS 33 -19.850 -19.927 -4.362 231 HB2 HIS 33 HB2 HIS 33 -19.177 -22.813 -4.530 232 HB3 HIS 33 HB3 HIS 33 -19.134 -22.085 -2.926 233 HD1 HIS 33 HD1 HIS 33 -21.481 -22.988 -5.695 234 HD2 HIS 33 HD2 HIS 33 -21.621 -21.371 -1.870 235 HE1 HIS 33 HE1 HIS 33 -23.911 -23.002 -5.048 236 HA PRO 34 HA PRO 34 -16.167 -18.477 -2.474 237 HB2 PRO 34 HB2 PRO 34 -16.772 -18.595 0.170 238 HB3 PRO 34 HB3 PRO 34 -17.489 -17.409 -0.928 239 HG2 PRO 34 HG2 PRO 34 -18.625 -19.990 0.077 240 HG3 PRO 34 HG3 PRO 34 -19.416 -18.413 -0.100 241 HD2 PRO 34 HD2 PRO 34 -19.733 -20.413 -1.898 242 HD3 PRO 34 HD3 PRO 34 -19.760 -18.699 -2.361 243 H ILE 35 H ILE 35 -14.804 -19.042 -0.285 244 HA ILE 35 HA ILE 35 -14.060 -21.867 -0.619 245 HB ILE 35 HB ILE 35 -12.406 -19.603 0.504 246 HG12 ILE 35 HG12 ILE 35 -12.150 -21.015 -2.158 247 HG13 ILE 35 HG13 ILE 35 -12.899 -19.436 -1.943 248 HG21 ILE 35 HG21 ILE 35 -11.155 -21.227 1.365 249 HG22 ILE 35 HG22 ILE 35 -12.099 -22.472 0.549 250 HG23 ILE 35 HG23 ILE 35 -10.755 -21.696 -0.287 251 HD11 ILE 35 HD11 ILE 35 -10.905 -18.390 -1.576 252 HD12 ILE 35 HD12 ILE 35 -10.129 -19.846 -0.952 253 HD13 ILE 35 HD13 ILE 35 -10.401 -19.665 -2.685 254 H HIS 36 H HIS 36 -14.355 -23.249 1.000 255 HA HIS 36 HA HIS 36 -14.538 -22.225 3.744 256 HB2 HIS 36 HB2 HIS 36 -16.661 -23.499 2.190 257 HB3 HIS 36 HB3 HIS 36 -16.356 -24.305 3.726 258 HD1 HIS 36 HD1 HIS 36 -15.937 -22.102 5.661 259 HD2 HIS 36 HD2 HIS 36 -18.738 -21.832 2.603 260 HE1 HIS 36 HE1 HIS 36 -17.597 -20.372 6.420 261 H GLY 37 H GLY 37 -13.842 -23.635 5.352 262 HA2 GLY 37 HA2 GLY 37 -12.673 -25.388 6.268 263 HA3 GLY 37 HA3 GLY 37 -13.241 -26.367 4.925 264 H LYS 38 H LYS 38 -11.190 -23.472 4.912 265 HA LYS 38 HA LYS 38 -8.967 -25.118 3.923 266 HB2 LYS 38 HB2 LYS 38 -10.099 -22.624 2.670 267 HB3 LYS 38 HB3 LYS 38 -8.452 -23.154 2.357 268 HG2 LYS 38 HG2 LYS 38 -9.737 -25.434 1.825 269 HG3 LYS 38 HG3 LYS 38 -11.019 -24.284 1.436 270 HD2 LYS 38 HD2 LYS 38 -9.992 -24.321 -0.589 271 HD3 LYS 38 HD3 LYS 38 -8.987 -23.088 0.178 272 HE2 LYS 38 HE2 LYS 38 -7.286 -24.684 0.679 273 HE3 LYS 38 HE3 LYS 38 -8.323 -26.026 0.201 274 HZ1 LYS 38 HZ1 LYS 38 -7.807 -25.751 -1.938 275 HZ2 LYS 38 HZ2 LYS 38 -6.504 -24.823 -1.390 276 HZ3 LYS 38 HZ3 LYS 38 -7.938 -24.066 -1.870 277 H THR 39 H THR 39 -6.895 -23.733 3.840 278 HA THR 39 HA THR 39 -6.686 -22.368 6.420 279 HB THR 39 HB THR 39 -4.309 -22.987 4.708 280 HG1 THR 39 HG1 THR 39 -5.721 -24.862 6.330 281 HG21 THR 39 HG21 THR 39 -3.943 -21.750 6.759 282 HG22 THR 39 HG22 THR 39 -3.281 -23.376 6.928 283 HG23 THR 39 HG23 THR 39 -4.821 -22.968 7.684 284 H ASP 40 H ASP 40 -5.753 -21.914 3.019 285 HA ASP 40 HA ASP 40 -6.379 -19.189 2.954 286 HB2 ASP 40 HB2 ASP 40 -3.867 -18.454 2.692 287 HB3 ASP 40 HB3 ASP 40 -4.610 -18.535 4.287 288 H VAL 41 H VAL 41 -6.279 -18.382 0.891 289 HA VAL 41 HA VAL 41 -5.166 -20.200 -1.146 290 HB VAL 41 HB VAL 41 -6.870 -19.069 -2.684 291 HG11 VAL 41 HG11 VAL 41 -6.951 -21.384 -1.410 292 HG12 VAL 41 HG12 VAL 41 -8.316 -20.616 -0.598 293 HG13 VAL 41 HG13 VAL 41 -8.322 -20.800 -2.352 294 HG21 VAL 41 HG21 VAL 41 -8.420 -17.657 -1.885 295 HG22 VAL 41 HG22 VAL 41 -8.633 -18.575 -0.394 296 HG23 VAL 41 HG23 VAL 41 -7.295 -17.435 -0.545 297 HA PRO 42 HA PRO 42 -2.578 -16.997 -2.666 298 HB2 PRO 42 HB2 PRO 42 -2.590 -17.513 -5.331 299 HB3 PRO 42 HB3 PRO 42 -1.748 -18.533 -4.159 300 HG2 PRO 42 HG2 PRO 42 -4.424 -18.932 -5.439 301 HG3 PRO 42 HG3 PRO 42 -3.135 -20.115 -5.149 302 HD2 PRO 42 HD2 PRO 42 -5.314 -19.916 -3.555 303 HD3 PRO 42 HD3 PRO 42 -3.721 -20.401 -2.939 304 H VAL 43 H VAL 43 -2.544 -15.010 -3.790 305 HA VAL 43 HA VAL 43 -4.863 -13.518 -3.806 306 HB VAL 43 HB VAL 43 -2.743 -12.404 -3.825 307 HG11 VAL 43 HG11 VAL 43 -1.314 -12.381 -5.855 308 HG12 VAL 43 HG12 VAL 43 -1.427 -13.969 -5.093 309 HG13 VAL 43 HG13 VAL 43 -2.352 -13.623 -6.555 310 HG21 VAL 43 HG21 VAL 43 -3.637 -11.545 -6.498 311 HG22 VAL 43 HG22 VAL 43 -4.878 -11.568 -5.245 312 HG23 VAL 43 HG23 VAL 43 -3.414 -10.610 -5.019 313 H SER 44 H SER 44 -3.523 -15.530 -6.334 314 HA SER 44 HA SER 44 -4.919 -14.588 -8.544 315 HB2 SER 44 HB2 SER 44 -3.491 -17.026 -7.820 316 HB3 SER 44 HB3 SER 44 -4.837 -17.339 -8.915 317 HG SER 44 HG SER 44 -2.554 -15.744 -9.308 318 H TYR 45 H TYR 45 -5.980 -16.605 -5.895 319 HA TYR 45 HA TYR 45 -8.424 -17.438 -7.124 320 HB2 TYR 45 HB2 TYR 45 -7.083 -18.447 -5.084 321 HB3 TYR 45 HB3 TYR 45 -8.099 -17.352 -4.153 322 HD1 TYR 45 HD1 TYR 45 -10.694 -17.458 -5.146 323 HD2 TYR 45 HD2 TYR 45 -7.842 -20.615 -5.078 324 HE1 TYR 45 HE1 TYR 45 -12.522 -19.103 -5.200 325 HE2 TYR 45 HE2 TYR 45 -9.663 -22.268 -5.132 326 HH TYR 45 HH TYR 45 -11.868 -22.570 -5.428 327 H GLY 46 H GLY 46 -7.610 -15.020 -4.638 328 HA2 GLY 46 HA2 GLY 46 -10.252 -14.051 -4.325 329 HA3 GLY 46 HA3 GLY 46 -8.784 -13.213 -3.843 330 H THR 47 H THR 47 -7.611 -13.112 -6.461 331 HA THR 47 HA THR 47 -8.610 -10.680 -7.377 332 HB THR 47 HB THR 47 -7.343 -11.278 -9.537 333 HG1 THR 47 HG1 THR 47 -7.127 -13.433 -9.539 334 HG21 THR 47 HG21 THR 47 -6.048 -11.190 -6.819 335 HG22 THR 47 HG22 THR 47 -6.282 -9.866 -7.961 336 HG23 THR 47 HG23 THR 47 -5.119 -11.143 -8.317 337 H SER 48 H SER 48 -9.433 -13.966 -8.286 338 HA SER 48 HA SER 48 -10.805 -13.475 -10.663 339 HB2 SER 48 HB2 SER 48 -10.202 -15.732 -9.704 340 HB3 SER 48 HB3 SER 48 -11.575 -15.559 -8.612 341 HG SER 48 HG SER 48 -11.717 -15.484 -11.447 342 H LEU 49 H LEU 49 -11.897 -13.300 -7.310 343 HA LEU 49 HA LEU 49 -14.624 -12.756 -7.988 344 HB2 LEU 49 HB2 LEU 49 -13.397 -13.609 -5.746 345 HB3 LEU 49 HB3 LEU 49 -13.594 -11.901 -5.358 346 HG LEU 49 HG LEU 49 -16.076 -12.887 -6.347 347 HD11 LEU 49 HD11 LEU 49 -14.971 -14.516 -4.065 348 HD12 LEU 49 HD12 LEU 49 -15.191 -15.107 -5.712 349 HD13 LEU 49 HD13 LEU 49 -16.590 -14.617 -4.757 350 HD21 LEU 49 HD21 LEU 49 -16.880 -11.728 -4.585 351 HD22 LEU 49 HD22 LEU 49 -15.236 -11.092 -4.529 352 HD23 LEU 49 HD23 LEU 49 -15.707 -12.413 -3.459 353 H LEU 50 H LEU 50 -11.807 -10.816 -7.139 354 HA LEU 50 HA LEU 50 -13.123 -8.343 -6.860 355 HB2 LEU 50 HB2 LEU 50 -10.537 -9.267 -6.610 356 HB3 LEU 50 HB3 LEU 50 -10.442 -8.165 -7.982 357 HG LEU 50 HG LEU 50 -11.329 -7.509 -5.176 358 HD11 LEU 50 HD11 LEU 50 -9.340 -5.778 -5.934 359 HD12 LEU 50 HD12 LEU 50 -8.827 -7.304 -6.653 360 HD13 LEU 50 HD13 LEU 50 -9.134 -7.206 -4.919 361 HD21 LEU 50 HD21 LEU 50 -11.111 -5.136 -6.511 362 HD22 LEU 50 HD22 LEU 50 -12.625 -5.965 -6.149 363 HD23 LEU 50 HD23 LEU 50 -11.857 -6.176 -7.724 364 H ALA 51 H ALA 51 -11.427 -9.768 -9.648 365 HA ALA 51 HA ALA 51 -12.035 -7.641 -11.423 366 HB1 ALA 51 HB1 ALA 51 -10.406 -8.727 -12.481 367 HB2 ALA 51 HB2 ALA 51 -10.687 -10.202 -11.554 368 HB3 ALA 51 HB3 ALA 51 -11.635 -9.878 -13.006 369 H ALA 52 H ALA 52 -13.646 -10.657 -10.606 370 HA ALA 52 HA ALA 52 -15.493 -10.769 -12.701 371 HB1 ALA 52 HB1 ALA 52 -15.304 -11.915 -9.985 372 HB2 ALA 52 HB2 ALA 52 -16.909 -11.881 -10.718 373 HB3 ALA 52 HB3 ALA 52 -15.582 -12.706 -11.537 374 H ALA 53 H ALA 53 -15.780 -9.251 -9.496 375 HA ALA 53 HA ALA 53 -18.393 -8.216 -9.986 376 HB1 ALA 53 HB1 ALA 53 -17.324 -6.671 -7.965 377 HB2 ALA 53 HB2 ALA 53 -18.236 -8.168 -7.763 378 HB3 ALA 53 HB3 ALA 53 -16.473 -8.209 -7.808 379 H ARG 54 H ARG 54 -15.124 -6.872 -10.153 380 HA ARG 54 HA ARG 54 -15.761 -4.200 -10.587 381 HB2 ARG 54 HB2 ARG 54 -13.503 -4.568 -10.225 382 HB3 ARG 54 HB3 ARG 54 -13.441 -5.931 -11.335 383 HG2 ARG 54 HG2 ARG 54 -13.188 -4.598 -13.179 384 HG3 ARG 54 HG3 ARG 54 -13.994 -3.220 -12.428 385 HD2 ARG 54 HD2 ARG 54 -12.070 -2.406 -11.646 386 HD3 ARG 54 HD3 ARG 54 -11.578 -3.976 -11.014 387 HE ARG 54 HE ARG 54 -11.256 -4.029 -13.783 388 HH11 ARG 54 HH11 ARG 54 -9.930 -2.389 -11.014 389 HH12 ARG 54 HH12 ARG 54 -8.370 -2.162 -11.732 390 HH21 ARG 54 HH21 ARG 54 -9.206 -3.736 -14.740 391 HH22 ARG 54 HH22 ARG 54 -7.959 -2.928 -13.852 392 H ASP 55 H ASP 55 -15.175 -6.746 -13.010 393 HA ASP 55 HA ASP 55 -15.845 -5.102 -15.227 394 HB2 ASP 55 HB2 ASP 55 -14.429 -7.166 -15.343 395 HB3 ASP 55 HB3 ASP 55 -15.888 -8.122 -15.096 396 H GLU 56 H GLU 56 -17.653 -7.415 -13.266 397 HA GLU 56 HA GLU 56 -19.977 -7.551 -14.812 398 HB2 GLU 56 HB2 GLU 56 -19.518 -9.068 -12.940 399 HB3 GLU 56 HB3 GLU 56 -19.696 -7.736 -11.807 400 HG2 GLU 56 HG2 GLU 56 -22.061 -7.538 -12.967 401 HG3 GLU 56 HG3 GLU 56 -21.761 -9.241 -13.310 402 H PHE 57 H PHE 57 -19.210 -5.412 -12.071 403 HA PHE 57 HA PHE 57 -21.613 -3.968 -12.097 404 HB2 PHE 57 HB2 PHE 57 -18.850 -3.151 -11.179 405 HB3 PHE 57 HB3 PHE 57 -20.311 -2.219 -10.865 406 HD1 PHE 57 HD1 PHE 57 -22.168 -4.537 -10.332 407 HD2 PHE 57 HD2 PHE 57 -18.223 -3.686 -8.979 408 HE1 PHE 57 HE1 PHE 57 -22.581 -5.867 -8.304 409 HE2 PHE 57 HE2 PHE 57 -18.629 -5.015 -6.949 410 HZ PHE 57 HZ PHE 57 -20.810 -6.108 -6.609 411 H ARG 58 H ARG 58 -18.737 -3.713 -14.039 412 HA ARG 58 HA ARG 58 -18.977 -1.115 -15.008 413 HB2 ARG 58 HB2 ARG 58 -17.078 -2.761 -15.389 414 HB3 ARG 58 HB3 ARG 58 -18.065 -3.468 -16.661 415 HG2 ARG 58 HG2 ARG 58 -18.111 -0.814 -17.310 416 HG3 ARG 58 HG3 ARG 58 -16.486 -1.016 -16.653 417 HD2 ARG 58 HD2 ARG 58 -17.591 -2.942 -18.666 418 HD3 ARG 58 HD3 ARG 58 -16.868 -1.416 -19.173 419 HE ARG 58 HE ARG 58 -15.123 -2.757 -17.413 420 HH11 ARG 58 HH11 ARG 58 -16.374 -2.946 -20.656 421 HH12 ARG 58 HH12 ARG 58 -14.975 -3.749 -21.289 422 HH21 ARG 58 HH21 ARG 58 -13.276 -3.814 -18.233 423 HH22 ARG 58 HH22 ARG 58 -13.214 -4.244 -19.909 424 H GLN 59 H GLN 59 -20.651 -4.057 -15.939 425 HA GLN 59 HA GLN 59 -21.871 -2.930 -18.271 426 HB2 GLN 59 HB2 GLN 59 -21.562 -5.311 -18.184 427 HB3 GLN 59 HB3 GLN 59 -22.459 -5.424 -16.675 428 HG2 GLN 59 HG2 GLN 59 -23.774 -6.203 -18.572 429 HG3 GLN 59 HG3 GLN 59 -24.502 -4.791 -17.808 430 HE21 GLN 59 HE21 GLN 59 -25.342 -3.459 -19.227 431 HE22 GLN 59 HE22 GLN 59 -24.712 -3.101 -20.795 432 H ALA 60 H ALA 60 -22.746 -3.272 -14.894 433 HA ALA 60 HA ALA 60 -25.484 -2.655 -15.117 434 HB1 ALA 60 HB1 ALA 60 -23.539 -2.341 -12.842 435 HB2 ALA 60 HB2 ALA 60 -25.264 -2.003 -12.695 436 HB3 ALA 60 HB3 ALA 60 -24.715 -3.630 -13.097 437 H ASP 61 H ASP 61 -22.672 -0.585 -14.438 438 HA ASP 61 HA ASP 61 -24.346 1.793 -14.668 439 HB2 ASP 61 HB2 ASP 61 -22.539 3.013 -13.745 440 HB3 ASP 61 HB3 ASP 61 -22.576 1.491 -12.858 441 H LYS 62 H LYS 62 -23.908 0.176 -17.010 442 HA LYS 62 HA LYS 62 -21.952 1.490 -18.656 443 HB2 LYS 62 HB2 LYS 62 -22.624 -0.891 -18.962 444 HB3 LYS 62 HB3 LYS 62 -24.212 -0.341 -19.482 445 HG2 LYS 62 HG2 LYS 62 -23.427 -0.299 -21.552 446 HG3 LYS 62 HG3 LYS 62 -22.413 1.065 -21.075 447 HD2 LYS 62 HD2 LYS 62 -20.548 -0.275 -20.738 448 HD3 LYS 62 HD3 LYS 62 -21.514 -1.741 -20.547 449 HE2 LYS 62 HE2 LYS 62 -21.815 -0.460 -23.157 450 HE3 LYS 62 HE3 LYS 62 -20.171 -0.998 -22.818 451 HZ1 LYS 62 HZ1 LYS 62 -21.180 -2.829 -23.794 452 HZ2 LYS 62 HZ2 LYS 62 -22.639 -2.610 -22.968 453 HZ3 LYS 62 HZ3 LYS 62 -21.278 -3.180 -22.142 454 H LYS 63 H LYS 63 -25.313 1.910 -17.923 455 HA LYS 63 HA LYS 63 -26.002 3.454 -20.213 456 HB2 LYS 63 HB2 LYS 63 -27.753 2.388 -18.958 457 HB3 LYS 63 HB3 LYS 63 -27.266 3.210 -17.481 458 HG2 LYS 63 HG2 LYS 63 -27.915 5.033 -19.663 459 HG3 LYS 63 HG3 LYS 63 -29.263 4.006 -19.169 460 HD2 LYS 63 HD2 LYS 63 -27.590 5.624 -17.253 461 HD3 LYS 63 HD3 LYS 63 -29.110 6.188 -17.951 462 HE2 LYS 63 HE2 LYS 63 -29.327 3.530 -16.793 463 HE3 LYS 63 HE3 LYS 63 -28.812 4.737 -15.617 464 HZ1 LYS 63 HZ1 LYS 63 -31.126 4.776 -15.537 465 HZ2 LYS 63 HZ2 LYS 63 -31.295 4.680 -17.217 466 HZ3 LYS 63 HZ3 LYS 63 -30.740 6.110 -16.504 467 H LEU 64 H LEU 64 -24.347 4.137 -17.273 468 HA LEU 64 HA LEU 64 -24.771 7.002 -17.447 469 HB2 LEU 64 HB2 LEU 64 -22.760 5.727 -15.647 470 HB3 LEU 64 HB3 LEU 64 -23.735 7.173 -15.388 471 HG LEU 64 HG LEU 64 -24.762 4.336 -15.309 472 HD11 LEU 64 HD11 LEU 64 -23.183 5.241 -13.448 473 HD12 LEU 64 HD12 LEU 64 -24.671 4.404 -13.009 474 HD13 LEU 64 HD13 LEU 64 -24.601 6.165 -12.955 475 HD21 LEU 64 HD21 LEU 64 -26.801 5.199 -15.414 476 HD22 LEU 64 HD22 LEU 64 -26.106 6.800 -15.671 477 HD23 LEU 64 HD23 LEU 64 -26.449 6.240 -14.034 478 HA PRO 65 HA PRO 65 -21.224 7.987 -19.841 479 HB2 PRO 65 HB2 PRO 65 -20.527 10.383 -18.772 480 HB3 PRO 65 HB3 PRO 65 -21.951 10.166 -19.796 481 HG2 PRO 65 HG2 PRO 65 -21.769 10.303 -16.811 482 HG3 PRO 65 HG3 PRO 65 -22.951 11.058 -17.896 483 HD2 PRO 65 HD2 PRO 65 -23.481 8.790 -16.515 484 HD3 PRO 65 HD3 PRO 65 -24.176 9.118 -18.115 485 H ALA 66 H ALA 66 -18.897 8.569 -19.682 486 HA ALA 66 HA ALA 66 -17.569 6.914 -17.816 487 HB1 ALA 66 HB1 ALA 66 -16.705 7.420 -20.071 488 HB2 ALA 66 HB2 ALA 66 -16.378 9.073 -19.551 489 HB3 ALA 66 HB3 ALA 66 -15.519 7.727 -18.802 490 H LYS 67 H LYS 67 -18.293 10.337 -17.884 491 HA LYS 67 HA LYS 67 -16.517 11.088 -15.790 492 HB2 LYS 67 HB2 LYS 67 -17.579 13.210 -15.851 493 HB3 LYS 67 HB3 LYS 67 -17.546 12.631 -17.511 494 HG2 LYS 67 HG2 LYS 67 -19.907 11.822 -17.149 495 HG3 LYS 67 HG3 LYS 67 -19.889 12.725 -15.633 496 HD2 LYS 67 HD2 LYS 67 -19.316 13.932 -18.337 497 HD3 LYS 67 HD3 LYS 67 -20.894 13.968 -17.547 498 HE2 LYS 67 HE2 LYS 67 -20.186 15.919 -16.696 499 HE3 LYS 67 HE3 LYS 67 -19.277 14.911 -15.572 500 HZ1 LYS 67 HZ1 LYS 67 -17.868 15.285 -18.018 501 HZ2 LYS 67 HZ2 LYS 67 -17.371 15.607 -16.435 502 HZ3 LYS 67 HZ3 LYS 67 -18.244 16.770 -17.300 503 H ASP 68 H ASP 68 -19.760 9.820 -15.908 504 HA ASP 68 HA ASP 68 -20.171 10.315 -13.060 505 HB2 ASP 68 HB2 ASP 68 -21.972 9.161 -15.196 506 HB3 ASP 68 HB3 ASP 68 -22.428 9.297 -13.501 507 H LYS 69 H LYS 69 -18.088 8.498 -13.892 508 HA LYS 69 HA LYS 69 -18.798 6.261 -12.230 509 HB2 LYS 69 HB2 LYS 69 -18.413 4.515 -13.853 510 HB3 LYS 69 HB3 LYS 69 -19.690 5.571 -14.443 511 HG2 LYS 69 HG2 LYS 69 -18.166 6.647 -15.963 512 HG3 LYS 69 HG3 LYS 69 -16.809 5.731 -15.304 513 HD2 LYS 69 HD2 LYS 69 -17.384 4.607 -17.282 514 HD3 LYS 69 HD3 LYS 69 -18.108 3.642 -15.993 515 HE2 LYS 69 HE2 LYS 69 -20.233 4.975 -16.401 516 HE3 LYS 69 HE3 LYS 69 -19.461 5.560 -17.874 517 HZ1 LYS 69 HZ1 LYS 69 -20.695 3.722 -18.545 518 HZ2 LYS 69 HZ2 LYS 69 -20.267 2.800 -17.193 519 HZ3 LYS 69 HZ3 LYS 69 -19.125 3.107 -18.403 520 H LYS 70 H LYS 70 -17.037 5.369 -11.269 521 HA LYS 70 HA LYS 70 -14.428 6.486 -12.039 522 HB2 LYS 70 HB2 LYS 70 -15.270 6.954 -9.733 523 HB3 LYS 70 HB3 LYS 70 -15.226 5.226 -9.409 524 HG2 LYS 70 HG2 LYS 70 -13.263 6.187 -8.482 525 HG3 LYS 70 HG3 LYS 70 -12.781 5.271 -9.912 526 HD2 LYS 70 HD2 LYS 70 -11.608 7.359 -9.935 527 HD3 LYS 70 HD3 LYS 70 -12.832 7.406 -11.206 528 HE2 LYS 70 HE2 LYS 70 -13.812 8.386 -8.645 529 HE3 LYS 70 HE3 LYS 70 -12.438 9.310 -9.250 530 HZ1 LYS 70 HZ1 LYS 70 -14.180 10.380 -10.245 531 HZ2 LYS 70 HZ2 LYS 70 -15.110 8.978 -10.418 532 HZ3 LYS 70 HZ3 LYS 70 -13.799 9.255 -11.450 533 H SER 71 H SER 71 -13.138 5.174 -13.132 534 HA SER 71 HA SER 71 -11.977 3.321 -13.773 535 HB2 SER 71 HB2 SER 71 -12.105 2.995 -11.121 536 HB3 SER 71 HB3 SER 71 -13.086 1.611 -11.602 537 HG SER 71 HG SER 71 -10.377 2.143 -12.112 538 H ASP 72 H ASP 72 -14.614 3.864 -14.744 539 HA ASP 72 HA ASP 72 -16.137 2.919 -16.148 540 HB2 ASP 72 HB2 ASP 72 -14.807 0.244 -15.852 541 HB3 ASP 72 HB3 ASP 72 -15.605 0.935 -17.262 542 H MET 73 H MET 73 -16.615 3.026 -13.339 543 HA MET 73 HA MET 73 -18.749 1.068 -13.186 544 HB2 MET 73 HB2 MET 73 -18.067 -0.075 -11.312 545 HB3 MET 73 HB3 MET 73 -16.515 0.197 -12.093 546 HG2 MET 73 HG2 MET 73 -16.699 2.423 -10.582 547 HG3 MET 73 HG3 MET 73 -17.589 1.277 -9.582 548 HE1 MET 73 HE1 MET 73 -16.515 -1.330 -9.484 549 HE2 MET 73 HE2 MET 73 -15.658 -1.293 -11.025 550 HE3 MET 73 HE3 MET 73 -14.776 -1.622 -9.533 551 H SER 74 H SER 74 -20.409 1.651 -11.760 552 HA SER 74 HA SER 74 -20.698 4.445 -11.334 553 HB2 SER 74 HB2 SER 74 -22.789 3.602 -11.605 554 HB3 SER 74 HB3 SER 74 -22.348 2.027 -10.947 555 HG SER 74 HG SER 74 -23.220 4.337 -9.622 556 H ILE 75 H ILE 75 -20.858 5.597 -9.390 557 HA ILE 75 HA ILE 75 -18.931 5.146 -7.475 558 HB ILE 75 HB ILE 75 -21.511 6.690 -7.243 559 HG12 ILE 75 HG12 ILE 75 -19.574 8.539 -7.255 560 HG13 ILE 75 HG13 ILE 75 -18.738 7.273 -8.148 561 HG21 ILE 75 HG21 ILE 75 -19.378 6.177 -5.257 562 HG22 ILE 75 HG22 ILE 75 -19.990 7.826 -5.371 563 HG23 ILE 75 HG23 ILE 75 -21.096 6.498 -5.021 564 HD11 ILE 75 HD11 ILE 75 -20.692 9.122 -9.064 565 HD12 ILE 75 HD12 ILE 75 -19.785 7.918 -9.980 566 HD13 ILE 75 HD13 ILE 75 -21.326 7.487 -9.241 567 H ALA 76 H ALA 76 -22.257 4.018 -7.553 568 HA ALA 76 HA ALA 76 -22.382 3.087 -4.883 569 HB1 ALA 76 HB1 ALA 76 -23.941 1.854 -7.125 570 HB2 ALA 76 HB2 ALA 76 -24.423 2.126 -5.450 571 HB3 ALA 76 HB3 ALA 76 -24.293 3.488 -6.562 572 H HIS 77 H HIS 77 -21.433 1.558 -7.926 573 HA HIS 77 HA HIS 77 -21.045 -1.028 -6.749 574 HB2 HIS 77 HB2 HIS 77 -20.144 0.097 -9.408 575 HB3 HIS 77 HB3 HIS 77 -20.005 -1.593 -8.935 576 HD1 HIS 77 HD1 HIS 77 -21.919 0.139 -11.134 577 HD2 HIS 77 HD2 HIS 77 -22.972 -2.214 -7.876 578 HE1 HIS 77 HE1 HIS 77 -24.292 -0.577 -11.560 579 H TYR 78 H TYR 78 -19.043 1.764 -7.426 580 HA TYR 78 HA TYR 78 -16.511 0.642 -7.209 581 HB2 TYR 78 HB2 TYR 78 -17.053 3.006 -7.874 582 HB3 TYR 78 HB3 TYR 78 -17.305 3.367 -6.170 583 HD1 TYR 78 HD1 TYR 78 -14.955 3.346 -8.791 584 HD2 TYR 78 HD2 TYR 78 -15.293 2.750 -4.591 585 HE1 TYR 78 HE1 TYR 78 -12.551 3.800 -8.539 586 HE2 TYR 78 HE2 TYR 78 -12.890 3.203 -4.328 587 HH TYR 78 HH TYR 78 -10.856 3.168 -5.638 588 H ASN 79 H ASN 79 -18.654 1.870 -4.665 589 HA ASN 79 HA ASN 79 -16.908 1.546 -2.503 590 HB2 ASN 79 HB2 ASN 79 -19.842 1.822 -2.844 591 HB3 ASN 79 HB3 ASN 79 -19.292 1.142 -1.316 592 HD21 ASN 79 HD21 ASN 79 -20.135 3.914 -2.789 593 HD22 ASN 79 HD22 ASN 79 -19.249 5.049 -1.833 594 H ALA 80 H ALA 80 -19.041 -0.728 -4.123 595 HA ALA 80 HA ALA 80 -18.835 -2.810 -2.209 596 HB1 ALA 80 HB1 ALA 80 -19.270 -3.537 -5.039 597 HB2 ALA 80 HB2 ALA 80 -20.171 -3.999 -3.595 598 HB3 ALA 80 HB3 ALA 80 -20.428 -2.414 -4.325 599 H VAL 81 H VAL 81 -17.166 -2.240 -5.303 600 HA VAL 81 HA VAL 81 -15.523 -4.507 -5.235 601 HB VAL 81 HB VAL 81 -14.766 -1.856 -6.461 602 HG11 VAL 81 HG11 VAL 81 -14.125 -4.633 -7.424 603 HG12 VAL 81 HG12 VAL 81 -13.405 -3.105 -7.934 604 HG13 VAL 81 HG13 VAL 81 -13.079 -3.739 -6.321 605 HG21 VAL 81 HG21 VAL 81 -16.756 -2.074 -7.517 606 HG22 VAL 81 HG22 VAL 81 -15.839 -3.200 -8.518 607 HG23 VAL 81 HG23 VAL 81 -16.855 -3.808 -7.211 608 H HIS 82 H HIS 82 -14.893 -1.186 -4.131 609 HA HIS 82 HA HIS 82 -12.265 -1.534 -3.285 610 HB2 HIS 82 HB2 HIS 82 -13.136 0.680 -3.398 611 HB3 HIS 82 HB3 HIS 82 -14.451 0.294 -2.292 612 HD1 HIS 82 HD1 HIS 82 -10.835 1.203 -2.375 613 HD2 HIS 82 HD2 HIS 82 -13.763 0.302 0.432 614 HE1 HIS 82 HE1 HIS 82 -9.864 1.868 -0.153 615 H SER 83 H SER 83 -15.293 -2.294 -1.673 616 HA SER 83 HA SER 83 -14.234 -2.796 0.893 617 HB2 SER 83 HB2 SER 83 -16.656 -2.466 0.404 618 HB3 SER 83 HB3 SER 83 -16.683 -4.051 -0.370 619 HG SER 83 HG SER 83 -16.742 -4.956 1.526 620 H ALA 84 H ALA 84 -14.856 -4.921 -1.876 621 HA ALA 84 HA ALA 84 -13.995 -7.298 -0.565 622 HB1 ALA 84 HB1 ALA 84 -13.724 -7.878 -3.202 623 HB2 ALA 84 HB2 ALA 84 -15.242 -7.970 -2.308 624 HB3 ALA 84 HB3 ALA 84 -14.866 -6.535 -3.262 625 H ALA 85 H ALA 85 -12.462 -5.178 -2.983 626 HA ALA 85 HA ALA 85 -10.037 -6.538 -3.195 627 HB1 ALA 85 HB1 ALA 85 -9.203 -4.652 -4.295 628 HB2 ALA 85 HB2 ALA 85 -10.939 -4.600 -4.606 629 HB3 ALA 85 HB3 ALA 85 -10.231 -3.550 -3.379 630 H LYS 86 H LYS 86 -11.132 -4.164 -0.843 631 HA LYS 86 HA LYS 86 -8.620 -3.695 0.374 632 HB2 LYS 86 HB2 LYS 86 -10.554 -2.194 0.649 633 HB3 LYS 86 HB3 LYS 86 -11.393 -3.446 1.555 634 HG2 LYS 86 HG2 LYS 86 -10.558 -2.448 3.362 635 HG3 LYS 86 HG3 LYS 86 -9.035 -3.226 2.922 636 HD2 LYS 86 HD2 LYS 86 -8.488 -1.201 1.561 637 HD3 LYS 86 HD3 LYS 86 -9.931 -0.431 2.226 638 HE2 LYS 86 HE2 LYS 86 -8.410 -1.528 4.371 639 HE3 LYS 86 HE3 LYS 86 -7.332 -0.581 3.347 640 HZ1 LYS 86 HZ1 LYS 86 -8.923 1.270 3.521 641 HZ2 LYS 86 HZ2 LYS 86 -8.283 0.824 5.021 642 HZ3 LYS 86 HZ3 LYS 86 -9.854 0.359 4.600 643 H THR 87 H THR 87 -11.285 -5.904 1.157 644 HA THR 87 HA THR 87 -10.126 -6.998 3.482 645 HB THR 87 HB THR 87 -11.957 -8.571 1.690 646 HG1 THR 87 HG1 THR 87 -13.648 -7.390 2.949 647 HG21 THR 87 HG21 THR 87 -10.963 -9.457 3.877 648 HG22 THR 87 HG22 THR 87 -12.712 -9.571 3.680 649 HG23 THR 87 HG23 THR 87 -12.018 -8.298 4.683 650 H MET 88 H MET 88 -9.846 -7.819 0.075 651 HA MET 88 HA MET 88 -8.348 -10.231 0.597 652 HB2 MET 88 HB2 MET 88 -9.036 -8.731 -1.927 653 HB3 MET 88 HB3 MET 88 -8.010 -10.160 -1.925 654 HG2 MET 88 HG2 MET 88 -9.812 -11.488 -1.005 655 HG3 MET 88 HG3 MET 88 -10.840 -10.061 -0.909 656 HE1 MET 88 HE1 MET 88 -12.318 -9.264 -2.607 657 HE2 MET 88 HE2 MET 88 -10.991 -8.513 -3.493 658 HE3 MET 88 HE3 MET 88 -12.177 -9.500 -4.349 659 H GLY 89 H GLY 89 -7.676 -6.885 0.178 660 HA2 GLY 89 HA2 GLY 89 -5.684 -5.746 0.429 661 HA3 GLY 89 HA3 GLY 89 -4.897 -7.286 0.741 662 H ILE 90 H ILE 90 -6.757 -6.720 -2.156 663 HA ILE 90 HA ILE 90 -4.302 -7.033 -3.724 664 HB ILE 90 HB ILE 90 -7.137 -7.148 -4.746 665 HG12 ILE 90 HG12 ILE 90 -5.371 -9.445 -3.872 666 HG13 ILE 90 HG13 ILE 90 -6.764 -8.845 -2.978 667 HG21 ILE 90 HG21 ILE 90 -4.495 -8.062 -5.868 668 HG22 ILE 90 HG22 ILE 90 -6.062 -8.462 -6.570 669 HG23 ILE 90 HG23 ILE 90 -5.536 -6.780 -6.488 670 HD11 ILE 90 HD11 ILE 90 -6.696 -10.807 -4.988 671 HD12 ILE 90 HD12 ILE 90 -8.102 -10.153 -4.147 672 HD13 ILE 90 HD13 ILE 90 -7.555 -9.419 -5.654 673 H ASP 91 H ASP 91 -3.839 -5.677 -5.501 674 HA ASP 91 HA ASP 91 -5.264 -3.101 -5.517 675 HB2 ASP 91 HB2 ASP 91 -2.311 -3.628 -5.364 676 HB3 ASP 91 HB3 ASP 91 -2.914 -2.143 -6.095 677 H THR 92 H THR 92 -2.831 -4.984 -7.323 678 HA THR 92 HA THR 92 -3.983 -3.959 -9.822 679 HB THR 92 HB THR 92 -1.771 -5.349 -10.606 680 HG1 THR 92 HG1 THR 92 -0.157 -4.518 -9.005 681 HG21 THR 92 HG21 THR 92 -2.592 -2.878 -10.927 682 HG22 THR 92 HG22 THR 92 -0.894 -3.290 -11.167 683 HG23 THR 92 HG23 THR 92 -1.414 -2.539 -9.659 684 H TRP 93 H TRP 93 -5.805 -5.370 -9.785 685 HA TRP 93 HA TRP 93 -5.158 -8.197 -10.300 686 HB2 TRP 93 HB2 TRP 93 -7.321 -8.793 -9.491 687 HB3 TRP 93 HB3 TRP 93 -6.640 -7.663 -8.323 688 HD1 TRP 93 HD1 TRP 93 -9.417 -7.972 -10.926 689 HE1 TRP 93 HE1 TRP 93 -11.078 -6.033 -10.597 690 HE3 TRP 93 HE3 TRP 93 -6.813 -5.249 -7.470 691 HZ2 TRP 93 HZ2 TRP 93 -11.259 -3.663 -9.075 692 HZ3 TRP 93 HZ3 TRP 93 -7.799 -3.158 -6.629 693 HH2 TRP 93 HH2 TRP 93 -9.977 -2.383 -7.417 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -2.575 3.101 -4.025 2 HA2 GLY 1 HA2 GLY 1 -2.937 2.360 -6.266 3 HA3 GLY 1 HA3 GLY 1 -2.276 3.883 -6.842 4 H ALA 2 H ALA 2 -1.226 1.124 -4.837 5 HA ALA 2 HA ALA 2 1.444 1.356 -6.019 6 HB1 ALA 2 HB1 ALA 2 0.532 0.780 -3.423 7 HB2 ALA 2 HB2 ALA 2 1.273 -0.699 -4.035 8 HB3 ALA 2 HB3 ALA 2 2.197 0.803 -4.007 9 H MET 3 H MET 3 2.572 -0.621 -6.667 10 HA MET 3 HA MET 3 0.713 -2.553 -7.885 11 HB2 MET 3 HB2 MET 3 3.429 -1.588 -8.779 12 HB3 MET 3 HB3 MET 3 2.626 -2.982 -9.489 13 HG2 MET 3 HG2 MET 3 1.911 -1.433 -10.956 14 HG3 MET 3 HG3 MET 3 0.660 -1.202 -9.737 15 HE1 MET 3 HE1 MET 3 2.344 2.108 -11.614 16 HE2 MET 3 HE2 MET 3 3.520 0.801 -11.744 17 HE3 MET 3 HE3 MET 3 1.822 0.500 -12.117 18 H ALA 4 H ALA 4 0.631 -4.024 -6.198 19 HA ALA 4 HA ALA 4 2.617 -6.006 -6.129 20 HB1 ALA 4 HB1 ALA 4 4.054 -5.349 -4.575 21 HB2 ALA 4 HB2 ALA 4 3.210 -3.803 -4.468 22 HB3 ALA 4 HB3 ALA 4 2.741 -5.138 -3.416 23 H ASN 5 H ASN 5 1.132 -7.587 -6.129 24 HA ASN 5 HA ASN 5 -1.194 -7.459 -4.409 25 HB2 ASN 5 HB2 ASN 5 -0.541 -9.935 -5.925 26 HB3 ASN 5 HB3 ASN 5 -2.089 -9.123 -5.709 27 HD21 ASN 5 HD21 ASN 5 -2.525 -7.245 -6.970 28 HD22 ASN 5 HD22 ASN 5 -1.748 -7.021 -8.497 29 HA PRO 6 HA PRO 6 0.292 -9.881 -1.065 30 HB2 PRO 6 HB2 PRO 6 -1.909 -11.327 -0.408 31 HB3 PRO 6 HB3 PRO 6 -1.766 -9.595 -0.085 32 HG2 PRO 6 HG2 PRO 6 -3.173 -10.995 -2.327 33 HG3 PRO 6 HG3 PRO 6 -3.713 -9.612 -1.358 34 HD2 PRO 6 HD2 PRO 6 -2.672 -9.333 -3.842 35 HD3 PRO 6 HD3 PRO 6 -2.457 -8.109 -2.573 36 H LYS 7 H LYS 7 0.997 -11.950 -0.448 37 HA LYS 7 HA LYS 7 1.507 -13.744 -2.604 38 HB2 LYS 7 HB2 LYS 7 2.002 -13.990 0.367 39 HB3 LYS 7 HB3 LYS 7 2.560 -15.158 -0.823 40 HG2 LYS 7 HG2 LYS 7 3.295 -12.260 -1.015 41 HG3 LYS 7 HG3 LYS 7 4.209 -13.385 -0.008 42 HD2 LYS 7 HD2 LYS 7 3.640 -14.098 -2.850 43 HD3 LYS 7 HD3 LYS 7 4.921 -12.939 -2.490 44 HE2 LYS 7 HE2 LYS 7 6.211 -14.766 -2.291 45 HE3 LYS 7 HE3 LYS 7 5.467 -14.906 -0.699 46 HZ1 LYS 7 HZ1 LYS 7 4.039 -16.555 -1.419 47 HZ2 LYS 7 HZ2 LYS 7 5.465 -16.935 -2.246 48 HZ3 LYS 7 HZ3 LYS 7 4.202 -16.150 -3.053 49 H THR 8 H THR 8 -0.721 -13.710 0.114 50 HA THR 8 HA THR 8 -2.344 -15.730 -1.167 51 HB THR 8 HB THR 8 -2.440 -16.969 1.155 52 HG1 THR 8 HG1 THR 8 -0.330 -16.994 2.111 53 HG21 THR 8 HG21 THR 8 -1.475 -18.657 0.038 54 HG22 THR 8 HG22 THR 8 0.036 -17.771 -0.168 55 HG23 THR 8 HG23 THR 8 -1.300 -17.510 -1.290 56 H ILE 9 H ILE 9 -4.478 -15.713 -0.480 57 HA ILE 9 HA ILE 9 -5.156 -13.603 1.464 58 HB ILE 9 HB ILE 9 -7.360 -13.481 0.216 59 HG12 ILE 9 HG12 ILE 9 -6.077 -14.446 -2.247 60 HG13 ILE 9 HG13 ILE 9 -6.432 -15.712 -1.077 61 HG21 ILE 9 HG21 ILE 9 -5.309 -11.929 0.022 62 HG22 ILE 9 HG22 ILE 9 -5.076 -12.692 -1.551 63 HG23 ILE 9 HG23 ILE 9 -6.571 -11.822 -1.206 64 HD11 ILE 9 HD11 ILE 9 -8.745 -15.194 -1.100 65 HD12 ILE 9 HD12 ILE 9 -8.468 -13.721 -2.030 66 HD13 ILE 9 HD13 ILE 9 -8.210 -15.297 -2.777 67 H LYS 10 H LYS 10 -6.185 -14.238 3.235 68 HA LYS 10 HA LYS 10 -6.761 -16.891 3.844 69 HB2 LYS 10 HB2 LYS 10 -6.958 -14.364 5.140 70 HB3 LYS 10 HB3 LYS 10 -8.485 -15.205 5.371 71 HG2 LYS 10 HG2 LYS 10 -7.500 -16.220 7.083 72 HG3 LYS 10 HG3 LYS 10 -6.616 -17.159 5.878 73 HD2 LYS 10 HD2 LYS 10 -4.688 -15.981 6.176 74 HD3 LYS 10 HD3 LYS 10 -5.536 -14.487 6.582 75 HE2 LYS 10 HE2 LYS 10 -6.051 -16.498 8.569 76 HE3 LYS 10 HE3 LYS 10 -4.314 -16.304 8.338 77 HZ1 LYS 10 HZ1 LYS 10 -4.811 -13.820 8.526 78 HZ2 LYS 10 HZ2 LYS 10 -4.849 -14.739 9.945 79 HZ3 LYS 10 HZ3 LYS 10 -6.295 -14.288 9.191 80 H ALA 11 H ALA 11 -8.497 -18.187 3.609 81 HA ALA 11 HA ALA 11 -10.378 -17.784 1.631 82 HB1 ALA 11 HB1 ALA 11 -11.400 -19.465 3.773 83 HB2 ALA 11 HB2 ALA 11 -10.988 -19.876 2.108 84 HB3 ALA 11 HB3 ALA 11 -9.732 -19.843 3.344 85 H ALA 12 H ALA 12 -10.546 -16.949 5.042 86 HA ALA 12 HA ALA 12 -13.265 -16.396 5.272 87 HB1 ALA 12 HB1 ALA 12 -12.713 -15.089 7.197 88 HB2 ALA 12 HB2 ALA 12 -11.618 -16.471 7.142 89 HB3 ALA 12 HB3 ALA 12 -11.053 -14.877 6.642 90 H ALA 13 H ALA 13 -10.625 -14.376 4.075 91 HA ALA 13 HA ALA 13 -12.094 -11.982 3.827 92 HB1 ALA 13 HB1 ALA 13 -10.167 -11.875 1.846 93 HB2 ALA 13 HB2 ALA 13 -9.984 -11.337 3.516 94 HB3 ALA 13 HB3 ALA 13 -9.476 -12.960 3.052 95 H TYR 14 H TYR 14 -11.599 -14.708 1.646 96 HA TYR 14 HA TYR 14 -12.673 -13.589 -0.682 97 HB2 TYR 14 HB2 TYR 14 -11.443 -15.839 -0.337 98 HB3 TYR 14 HB3 TYR 14 -13.036 -16.487 0.038 99 HD1 TYR 14 HD1 TYR 14 -11.277 -14.510 -2.597 100 HD2 TYR 14 HD2 TYR 14 -14.337 -17.323 -1.686 101 HE1 TYR 14 HE1 TYR 14 -11.717 -14.802 -5.000 102 HE2 TYR 14 HE2 TYR 14 -14.784 -17.623 -4.086 103 HH TYR 14 HH TYR 14 -14.386 -16.805 -6.149 104 H ASN 15 H ASN 15 -14.255 -15.493 1.873 105 HA ASN 15 HA ASN 15 -16.828 -15.496 0.772 106 HB2 ASN 15 HB2 ASN 15 -15.861 -15.688 3.625 107 HB3 ASN 15 HB3 ASN 15 -17.561 -15.840 3.189 108 HD21 ASN 15 HD21 ASN 15 -14.365 -17.212 2.679 109 HD22 ASN 15 HD22 ASN 15 -14.909 -18.806 2.296 110 H GLN 16 H GLN 16 -15.127 -13.102 2.679 111 HA GLN 16 HA GLN 16 -17.431 -11.491 3.212 112 HB2 GLN 16 HB2 GLN 16 -15.310 -11.516 4.580 113 HB3 GLN 16 HB3 GLN 16 -14.540 -10.625 3.274 114 HG2 GLN 16 HG2 GLN 16 -15.269 -9.166 5.098 115 HG3 GLN 16 HG3 GLN 16 -16.068 -8.783 3.575 116 HE21 GLN 16 HE21 GLN 16 -18.240 -8.904 3.440 117 HE22 GLN 16 HE22 GLN 16 -19.274 -9.348 4.750 118 H ALA 17 H ALA 17 -14.978 -11.609 0.714 119 HA ALA 17 HA ALA 17 -15.489 -9.099 -0.465 120 HB1 ALA 17 HB1 ALA 17 -14.497 -10.264 -2.538 121 HB2 ALA 17 HB2 ALA 17 -13.481 -10.080 -1.107 122 HB3 ALA 17 HB3 ALA 17 -14.239 -11.634 -1.457 123 H ARG 18 H ARG 18 -16.678 -12.352 -1.300 124 HA ARG 18 HA ARG 18 -18.396 -11.433 -3.371 125 HB2 ARG 18 HB2 ARG 18 -19.419 -13.739 -3.133 126 HB3 ARG 18 HB3 ARG 18 -17.697 -13.694 -3.489 127 HG2 ARG 18 HG2 ARG 18 -17.158 -14.713 -1.578 128 HG3 ARG 18 HG3 ARG 18 -18.300 -13.755 -0.634 129 HD2 ARG 18 HD2 ARG 18 -19.705 -15.559 -2.377 130 HD3 ARG 18 HD3 ARG 18 -18.535 -16.443 -1.398 131 HE ARG 18 HE ARG 18 -19.758 -14.893 0.426 132 HH11 ARG 18 HH11 ARG 18 -20.980 -16.998 -2.063 133 HH12 ARG 18 HH12 ARG 18 -22.422 -17.404 -1.193 134 HH21 ARG 18 HH21 ARG 18 -21.653 -15.420 1.581 135 HH22 ARG 18 HH22 ARG 18 -22.804 -16.505 0.879 136 H SER 19 H SER 19 -18.786 -11.995 0.067 137 HA SER 19 HA SER 19 -21.567 -12.001 0.247 138 HB2 SER 19 HB2 SER 19 -20.813 -12.461 2.325 139 HB3 SER 19 HB3 SER 19 -19.317 -11.562 2.077 140 HG SER 19 HG SER 19 -21.158 -10.810 3.625 141 H THR 20 H THR 20 -19.309 -9.260 0.429 142 HA THR 20 HA THR 20 -21.170 -7.234 0.852 143 HB THR 20 HB THR 20 -18.614 -7.012 -0.750 144 HG1 THR 20 HG1 THR 20 -17.600 -7.102 1.110 145 HG21 THR 20 HG21 THR 20 -19.358 -4.742 0.887 146 HG22 THR 20 HG22 THR 20 -20.608 -5.122 -0.297 147 HG23 THR 20 HG23 THR 20 -18.957 -4.806 -0.828 148 H LEU 21 H LEU 21 -20.016 -8.659 -2.176 149 HA LEU 21 HA LEU 21 -21.374 -6.887 -3.906 150 HB2 LEU 21 HB2 LEU 21 -20.687 -9.752 -4.506 151 HB3 LEU 21 HB3 LEU 21 -20.867 -8.422 -5.648 152 HG LEU 21 HG LEU 21 -18.705 -8.351 -3.577 153 HD11 LEU 21 HD11 LEU 21 -18.955 -10.401 -5.482 154 HD12 LEU 21 HD12 LEU 21 -17.552 -10.008 -4.489 155 HD13 LEU 21 HD13 LEU 21 -17.724 -9.295 -6.093 156 HD21 LEU 21 HD21 LEU 21 -17.584 -7.069 -5.404 157 HD22 LEU 21 HD22 LEU 21 -19.053 -6.317 -4.780 158 HD23 LEU 21 HD23 LEU 21 -19.086 -7.172 -6.323 159 H ALA 22 H ALA 22 -22.357 -9.755 -2.188 160 HA ALA 22 HA ALA 22 -24.600 -10.536 -3.608 161 HB1 ALA 22 HB1 ALA 22 -24.523 -10.505 -0.605 162 HB2 ALA 22 HB2 ALA 22 -25.309 -11.667 -1.675 163 HB3 ALA 22 HB3 ALA 22 -23.550 -11.625 -1.560 164 H ASP 23 H ASP 23 -24.093 -7.690 -1.725 165 HA ASP 23 HA ASP 23 -26.693 -7.012 -0.996 166 HB2 ASP 23 HB2 ASP 23 -24.206 -5.456 -1.558 167 HB3 ASP 23 HB3 ASP 23 -25.724 -4.579 -1.384 168 H ALA 24 H ALA 24 -25.033 -6.691 -4.071 169 HA ALA 24 HA ALA 24 -27.509 -5.605 -5.245 170 HB1 ALA 24 HB1 ALA 24 -24.643 -5.056 -5.779 171 HB2 ALA 24 HB2 ALA 24 -25.753 -5.029 -7.150 172 HB3 ALA 24 HB3 ALA 24 -26.026 -3.962 -5.773 173 H GLY 25 H GLY 25 -25.119 -8.125 -5.366 174 HA2 GLY 25 HA2 GLY 25 -26.148 -10.245 -6.283 175 HA3 GLY 25 HA3 GLY 25 -26.482 -9.283 -7.716 176 H SER 26 H SER 26 -24.877 -11.726 -7.409 177 HA SER 26 HA SER 26 -22.321 -10.669 -8.425 178 HB2 SER 26 HB2 SER 26 -22.708 -12.303 -6.163 179 HB3 SER 26 HB3 SER 26 -22.047 -13.356 -7.413 180 HG SER 26 HG SER 26 -20.546 -12.064 -5.999 181 H ARG 27 H ARG 27 -21.844 -11.249 -10.437 182 HA ARG 27 HA ARG 27 -23.574 -13.029 -11.880 183 HB2 ARG 27 HB2 ARG 27 -21.618 -11.003 -12.511 184 HB3 ARG 27 HB3 ARG 27 -21.330 -12.449 -13.469 185 HG2 ARG 27 HG2 ARG 27 -23.872 -12.330 -13.958 186 HG3 ARG 27 HG3 ARG 27 -23.713 -10.653 -13.430 187 HD2 ARG 27 HD2 ARG 27 -21.646 -10.748 -15.107 188 HD3 ARG 27 HD3 ARG 27 -22.641 -12.004 -15.843 189 HE ARG 27 HE ARG 27 -23.135 -9.176 -15.853 190 HH11 ARG 27 HH11 ARG 27 -24.596 -12.329 -16.064 191 HH12 ARG 27 HH12 ARG 27 -25.985 -11.771 -16.935 192 HH21 ARG 27 HH21 ARG 27 -24.959 -8.429 -17.000 193 HH22 ARG 27 HH22 ARG 27 -26.190 -9.552 -17.468 194 H THR 28 H THR 28 -20.065 -13.015 -11.236 195 HA THR 28 HA THR 28 -19.759 -15.723 -12.136 196 HB THR 28 HB THR 28 -17.457 -15.506 -11.662 197 HG1 THR 28 HG1 THR 28 -18.177 -13.333 -9.962 198 HG21 THR 28 HG21 THR 28 -17.969 -12.624 -12.171 199 HG22 THR 28 HG22 THR 28 -18.634 -13.788 -13.317 200 HG23 THR 28 HG23 THR 28 -16.898 -13.747 -13.007 201 H ALA 29 H ALA 29 -19.688 -14.100 -8.977 202 HA ALA 29 HA ALA 29 -19.107 -16.321 -7.396 203 HB1 ALA 29 HB1 ALA 29 -20.979 -14.453 -6.161 204 HB2 ALA 29 HB2 ALA 29 -19.338 -14.895 -5.689 205 HB3 ALA 29 HB3 ALA 29 -19.598 -13.667 -6.928 206 H ALA 30 H ALA 30 -22.079 -15.334 -8.916 207 HA ALA 30 HA ALA 30 -23.946 -16.739 -7.401 208 HB1 ALA 30 HB1 ALA 30 -23.835 -15.707 -10.172 209 HB2 ALA 30 HB2 ALA 30 -25.071 -16.913 -9.813 210 HB3 ALA 30 HB3 ALA 30 -25.014 -15.409 -8.894 211 H LYS 31 H LYS 31 -21.777 -17.838 -9.938 212 HA LYS 31 HA LYS 31 -22.879 -20.549 -9.736 213 HB2 LYS 31 HB2 LYS 31 -22.600 -19.556 -11.995 214 HB3 LYS 31 HB3 LYS 31 -20.868 -19.444 -11.706 215 HG2 LYS 31 HG2 LYS 31 -21.519 -22.099 -11.170 216 HG3 LYS 31 HG3 LYS 31 -22.437 -21.677 -12.618 217 HD2 LYS 31 HD2 LYS 31 -20.518 -22.198 -13.680 218 HD3 LYS 31 HD3 LYS 31 -20.037 -20.568 -13.202 219 HE2 LYS 31 HE2 LYS 31 -19.437 -22.098 -10.984 220 HE3 LYS 31 HE3 LYS 31 -19.015 -23.151 -12.334 221 HZ1 LYS 31 HZ1 LYS 31 -17.631 -20.894 -11.345 222 HZ2 LYS 31 HZ2 LYS 31 -18.044 -20.637 -12.964 223 HZ3 LYS 31 HZ3 LYS 31 -17.147 -22.003 -12.528 224 H SER 32 H SER 32 -20.097 -18.631 -8.968 225 HA SER 32 HA SER 32 -18.622 -21.038 -8.144 226 HB2 SER 32 HB2 SER 32 -16.646 -19.480 -8.023 227 HB3 SER 32 HB3 SER 32 -17.321 -19.681 -9.641 228 HG SER 32 HG SER 32 -16.837 -17.448 -8.784 229 H HIS 33 H HIS 33 -18.747 -21.541 -6.069 230 HA HIS 33 HA HIS 33 -19.589 -19.567 -4.119 231 HB2 HIS 33 HB2 HIS 33 -19.429 -22.510 -4.249 232 HB3 HIS 33 HB3 HIS 33 -19.110 -21.815 -2.663 233 HD1 HIS 33 HD1 HIS 33 -21.739 -23.404 -3.999 234 HD2 HIS 33 HD2 HIS 33 -21.402 -19.506 -2.603 235 HE1 HIS 33 HE1 HIS 33 -24.083 -22.684 -3.442 236 HA PRO 34 HA PRO 34 -15.685 -18.630 -2.353 237 HB2 PRO 34 HB2 PRO 34 -16.241 -18.567 0.304 238 HB3 PRO 34 HB3 PRO 34 -16.795 -17.323 -0.823 239 HG2 PRO 34 HG2 PRO 34 -18.285 -19.667 0.294 240 HG3 PRO 34 HG3 PRO 34 -18.833 -17.995 0.074 241 HD2 PRO 34 HD2 PRO 34 -19.489 -19.981 -1.646 242 HD3 PRO 34 HD3 PRO 34 -19.267 -18.300 -2.169 243 H ILE 35 H ILE 35 -14.398 -19.324 -0.139 244 HA ILE 35 HA ILE 35 -14.316 -22.270 -0.140 245 HB ILE 35 HB ILE 35 -11.860 -20.551 0.138 246 HG12 ILE 35 HG12 ILE 35 -11.749 -21.796 -2.353 247 HG13 ILE 35 HG13 ILE 35 -13.391 -21.169 -2.256 248 HG21 ILE 35 HG21 ILE 35 -11.452 -22.687 0.998 249 HG22 ILE 35 HG22 ILE 35 -12.387 -23.475 -0.272 250 HG23 ILE 35 HG23 ILE 35 -10.822 -22.755 -0.648 251 HD11 ILE 35 HD11 ILE 35 -11.070 -19.782 -2.944 252 HD12 ILE 35 HD12 ILE 35 -12.682 -19.119 -2.674 253 HD13 ILE 35 HD13 ILE 35 -11.524 -19.193 -1.346 254 H HIS 36 H HIS 36 -14.235 -23.235 1.803 255 HA HIS 36 HA HIS 36 -13.545 -21.630 4.159 256 HB2 HIS 36 HB2 HIS 36 -15.470 -22.652 5.382 257 HB3 HIS 36 HB3 HIS 36 -15.952 -21.554 4.092 258 HD1 HIS 36 HD1 HIS 36 -16.320 -25.012 5.265 259 HD2 HIS 36 HD2 HIS 36 -16.972 -22.898 1.749 260 HE1 HIS 36 HE1 HIS 36 -17.790 -26.488 3.856 261 H GLY 37 H GLY 37 -13.374 -23.097 6.151 262 HA2 GLY 37 HA2 GLY 37 -12.192 -24.781 7.172 263 HA3 GLY 37 HA3 GLY 37 -13.017 -25.839 6.036 264 H LYS 38 H LYS 38 -10.772 -23.292 5.130 265 HA LYS 38 HA LYS 38 -8.756 -25.325 4.467 266 HB2 LYS 38 HB2 LYS 38 -10.004 -23.296 2.645 267 HB3 LYS 38 HB3 LYS 38 -8.347 -23.819 2.369 268 HG2 LYS 38 HG2 LYS 38 -9.405 -26.211 2.526 269 HG3 LYS 38 HG3 LYS 38 -10.888 -25.347 2.116 270 HD2 LYS 38 HD2 LYS 38 -10.203 -25.697 -0.003 271 HD3 LYS 38 HD3 LYS 38 -9.181 -24.291 0.304 272 HE2 LYS 38 HE2 LYS 38 -7.285 -25.599 0.659 273 HE3 LYS 38 HE3 LYS 38 -8.230 -27.056 0.961 274 HZ1 LYS 38 HZ1 LYS 38 -8.939 -26.499 -1.547 275 HZ2 LYS 38 HZ2 LYS 38 -7.653 -27.521 -1.144 276 HZ3 LYS 38 HZ3 LYS 38 -7.354 -25.907 -1.552 277 H THR 39 H THR 39 -6.595 -24.419 4.104 278 HA THR 39 HA THR 39 -5.845 -22.645 6.154 279 HB THR 39 HB THR 39 -4.116 -23.140 3.746 280 HG1 THR 39 HG1 THR 39 -4.301 -25.209 4.126 281 HG21 THR 39 HG21 THR 39 -3.659 -21.797 6.071 282 HG22 THR 39 HG22 THR 39 -2.403 -22.548 5.086 283 HG23 THR 39 HG23 THR 39 -3.065 -23.407 6.476 284 H ASP 40 H ASP 40 -5.496 -22.138 2.637 285 HA ASP 40 HA ASP 40 -6.712 -19.624 2.556 286 HB2 ASP 40 HB2 ASP 40 -4.568 -18.256 2.236 287 HB3 ASP 40 HB3 ASP 40 -5.012 -18.681 3.887 288 H VAL 41 H VAL 41 -6.470 -18.562 0.487 289 HA VAL 41 HA VAL 41 -5.452 -20.396 -1.583 290 HB VAL 41 HB VAL 41 -7.077 -19.130 -3.097 291 HG11 VAL 41 HG11 VAL 41 -9.025 -20.421 -1.602 292 HG12 VAL 41 HG12 VAL 41 -8.032 -21.131 -2.876 293 HG13 VAL 41 HG13 VAL 41 -7.530 -21.261 -1.190 294 HG21 VAL 41 HG21 VAL 41 -7.387 -17.512 -0.918 295 HG22 VAL 41 HG22 VAL 41 -8.508 -17.611 -2.276 296 HG23 VAL 41 HG23 VAL 41 -8.812 -18.548 -0.814 297 HA PRO 42 HA PRO 42 -2.655 -17.346 -3.047 298 HB2 PRO 42 HB2 PRO 42 -2.700 -17.814 -5.721 299 HB3 PRO 42 HB3 PRO 42 -1.928 -18.908 -4.567 300 HG2 PRO 42 HG2 PRO 42 -4.624 -19.105 -5.852 301 HG3 PRO 42 HG3 PRO 42 -3.417 -20.376 -5.584 302 HD2 PRO 42 HD2 PRO 42 -5.579 -20.061 -3.984 303 HD3 PRO 42 HD3 PRO 42 -4.022 -20.661 -3.378 304 H VAL 43 H VAL 43 -2.472 -15.367 -4.204 305 HA VAL 43 HA VAL 43 -4.664 -13.695 -4.155 306 HB VAL 43 HB VAL 43 -2.439 -12.780 -4.245 307 HG11 VAL 43 HG11 VAL 43 -1.829 -13.042 -7.032 308 HG12 VAL 43 HG12 VAL 43 -0.873 -13.530 -5.631 309 HG13 VAL 43 HG13 VAL 43 -2.060 -14.638 -6.320 310 HG21 VAL 43 HG21 VAL 43 -3.510 -11.838 -6.851 311 HG22 VAL 43 HG22 VAL 43 -4.534 -11.667 -5.426 312 HG23 VAL 43 HG23 VAL 43 -2.939 -10.914 -5.462 313 H SER 44 H SER 44 -3.566 -15.807 -6.717 314 HA SER 44 HA SER 44 -4.950 -14.757 -8.886 315 HB2 SER 44 HB2 SER 44 -3.452 -17.068 -8.363 316 HB3 SER 44 HB3 SER 44 -5.021 -17.653 -8.914 317 HG SER 44 HG SER 44 -3.032 -16.484 -10.328 318 H TYR 45 H TYR 45 -6.077 -16.757 -6.237 319 HA TYR 45 HA TYR 45 -8.624 -17.344 -7.387 320 HB2 TYR 45 HB2 TYR 45 -7.305 -18.519 -5.429 321 HB3 TYR 45 HB3 TYR 45 -8.178 -17.363 -4.429 322 HD1 TYR 45 HD1 TYR 45 -8.255 -20.612 -5.385 323 HD2 TYR 45 HD2 TYR 45 -10.812 -17.211 -5.367 324 HE1 TYR 45 HE1 TYR 45 -10.217 -22.095 -5.397 325 HE2 TYR 45 HE2 TYR 45 -12.781 -18.685 -5.378 326 HH TYR 45 HH TYR 45 -12.434 -22.216 -5.287 327 H GLY 46 H GLY 46 -7.522 -15.062 -4.886 328 HA2 GLY 46 HA2 GLY 46 -10.042 -13.896 -4.401 329 HA3 GLY 46 HA3 GLY 46 -8.488 -13.160 -4.039 330 H THR 47 H THR 47 -7.436 -12.983 -6.622 331 HA THR 47 HA THR 47 -8.482 -10.553 -7.499 332 HB THR 47 HB THR 47 -7.180 -10.991 -9.619 333 HG1 THR 47 HG1 THR 47 -6.514 -12.961 -9.988 334 HG21 THR 47 HG21 THR 47 -5.798 -11.370 -6.961 335 HG22 THR 47 HG22 THR 47 -6.122 -9.843 -7.782 336 HG23 THR 47 HG23 THR 47 -4.971 -10.988 -8.471 337 H SER 48 H SER 48 -9.222 -13.845 -8.476 338 HA SER 48 HA SER 48 -10.648 -13.300 -10.821 339 HB2 SER 48 HB2 SER 48 -10.877 -15.544 -8.813 340 HB3 SER 48 HB3 SER 48 -11.812 -15.503 -10.308 341 HG SER 48 HG SER 48 -9.887 -16.678 -10.584 342 H LEU 49 H LEU 49 -11.666 -13.344 -7.444 343 HA LEU 49 HA LEU 49 -14.436 -12.926 -8.031 344 HB2 LEU 49 HB2 LEU 49 -13.726 -14.023 -5.979 345 HB3 LEU 49 HB3 LEU 49 -12.881 -12.561 -5.474 346 HG LEU 49 HG LEU 49 -14.870 -11.438 -4.987 347 HD11 LEU 49 HD11 LEU 49 -17.085 -12.796 -5.599 348 HD12 LEU 49 HD12 LEU 49 -16.052 -13.336 -6.922 349 HD13 LEU 49 HD13 LEU 49 -16.355 -11.615 -6.686 350 HD21 LEU 49 HD21 LEU 49 -15.890 -14.107 -4.223 351 HD22 LEU 49 HD22 LEU 49 -15.644 -12.661 -3.244 352 HD23 LEU 49 HD23 LEU 49 -14.270 -13.684 -3.668 353 H LEU 50 H LEU 50 -11.693 -10.874 -7.256 354 HA LEU 50 HA LEU 50 -13.154 -8.489 -6.819 355 HB2 LEU 50 HB2 LEU 50 -10.547 -9.250 -6.552 356 HB3 LEU 50 HB3 LEU 50 -10.471 -8.190 -7.958 357 HG LEU 50 HG LEU 50 -11.447 -7.468 -5.197 358 HD11 LEU 50 HD11 LEU 50 -9.474 -5.724 -5.885 359 HD12 LEU 50 HD12 LEU 50 -8.903 -7.220 -6.623 360 HD13 LEU 50 HD13 LEU 50 -9.250 -7.166 -4.895 361 HD21 LEU 50 HD21 LEU 50 -11.246 -5.131 -6.560 362 HD22 LEU 50 HD22 LEU 50 -12.751 -6.013 -6.304 363 HD23 LEU 50 HD23 LEU 50 -11.862 -6.206 -7.815 364 H ALA 51 H ALA 51 -11.404 -9.706 -9.671 365 HA ALA 51 HA ALA 51 -12.144 -7.552 -11.359 366 HB1 ALA 51 HB1 ALA 51 -10.668 -10.033 -11.598 367 HB2 ALA 51 HB2 ALA 51 -11.642 -9.701 -13.031 368 HB3 ALA 51 HB3 ALA 51 -10.468 -8.511 -12.467 369 H ALA 52 H ALA 52 -13.612 -10.645 -10.597 370 HA ALA 52 HA ALA 52 -15.451 -10.831 -12.689 371 HB1 ALA 52 HB1 ALA 52 -15.195 -11.976 -9.988 372 HB2 ALA 52 HB2 ALA 52 -16.822 -11.973 -10.670 373 HB3 ALA 52 HB3 ALA 52 -15.505 -12.765 -11.535 374 H ALA 53 H ALA 53 -15.800 -9.304 -9.496 375 HA ALA 53 HA ALA 53 -18.455 -8.387 -9.977 376 HB1 ALA 53 HB1 ALA 53 -18.262 -8.313 -7.755 377 HB2 ALA 53 HB2 ALA 53 -16.501 -8.233 -7.825 378 HB3 ALA 53 HB3 ALA 53 -17.459 -6.761 -7.994 379 H ARG 54 H ARG 54 -15.259 -6.854 -10.125 380 HA ARG 54 HA ARG 54 -16.051 -4.243 -10.643 381 HB2 ARG 54 HB2 ARG 54 -13.784 -4.443 -10.236 382 HB3 ARG 54 HB3 ARG 54 -13.612 -5.844 -11.284 383 HG2 ARG 54 HG2 ARG 54 -13.369 -4.582 -13.169 384 HG3 ARG 54 HG3 ARG 54 -14.320 -3.241 -12.526 385 HD2 ARG 54 HD2 ARG 54 -12.495 -2.214 -11.770 386 HD3 ARG 54 HD3 ARG 54 -11.942 -3.675 -10.952 387 HE ARG 54 HE ARG 54 -11.436 -3.963 -13.684 388 HH11 ARG 54 HH11 ARG 54 -10.397 -2.008 -10.997 389 HH12 ARG 54 HH12 ARG 54 -8.806 -1.747 -11.633 390 HH21 ARG 54 HH21 ARG 54 -9.345 -3.627 -14.532 391 HH22 ARG 54 HH22 ARG 54 -8.210 -2.668 -13.644 392 H ASP 55 H ASP 55 -15.277 -6.814 -12.985 393 HA ASP 55 HA ASP 55 -15.900 -5.308 -15.283 394 HB2 ASP 55 HB2 ASP 55 -14.554 -7.396 -15.297 395 HB3 ASP 55 HB3 ASP 55 -16.016 -8.312 -14.945 396 H GLU 56 H GLU 56 -17.829 -7.556 -13.336 397 HA GLU 56 HA GLU 56 -20.124 -7.591 -14.928 398 HB2 GLU 56 HB2 GLU 56 -19.752 -9.146 -13.066 399 HB3 GLU 56 HB3 GLU 56 -19.915 -7.822 -11.920 400 HG2 GLU 56 HG2 GLU 56 -22.246 -7.528 -13.103 401 HG3 GLU 56 HG3 GLU 56 -21.994 -9.224 -13.511 402 H PHE 57 H PHE 57 -19.342 -5.513 -12.145 403 HA PHE 57 HA PHE 57 -21.694 -3.990 -12.195 404 HB2 PHE 57 HB2 PHE 57 -18.923 -3.250 -11.235 405 HB3 PHE 57 HB3 PHE 57 -20.372 -2.304 -10.913 406 HD1 PHE 57 HD1 PHE 57 -18.312 -3.850 -9.051 407 HD2 PHE 57 HD2 PHE 57 -22.270 -4.594 -10.429 408 HE1 PHE 57 HE1 PHE 57 -18.749 -5.213 -7.050 409 HE2 PHE 57 HE2 PHE 57 -22.714 -5.957 -8.430 410 HZ PHE 57 HZ PHE 57 -20.953 -6.268 -6.737 411 H ARG 58 H ARG 58 -18.827 -3.855 -14.139 412 HA ARG 58 HA ARG 58 -18.915 -1.233 -15.068 413 HB2 ARG 58 HB2 ARG 58 -17.140 -3.026 -15.491 414 HB3 ARG 58 HB3 ARG 58 -18.177 -3.588 -16.796 415 HG2 ARG 58 HG2 ARG 58 -18.025 -0.949 -17.373 416 HG3 ARG 58 HG3 ARG 58 -16.444 -1.227 -16.641 417 HD2 ARG 58 HD2 ARG 58 -17.375 -3.220 -18.620 418 HD3 ARG 58 HD3 ARG 58 -16.946 -1.626 -19.240 419 HE ARG 58 HE ARG 58 -14.950 -2.683 -17.492 420 HH11 ARG 58 HH11 ARG 58 -16.180 -2.788 -20.747 421 HH12 ARG 58 HH12 ARG 58 -14.668 -3.269 -21.442 422 HH21 ARG 58 HH21 ARG 58 -12.954 -3.317 -18.395 423 HH22 ARG 58 HH22 ARG 58 -12.834 -3.571 -20.103 424 H GLN 59 H GLN 59 -20.764 -4.058 -16.039 425 HA GLN 59 HA GLN 59 -21.941 -2.814 -18.332 426 HB2 GLN 59 HB2 GLN 59 -21.725 -5.238 -18.212 427 HB3 GLN 59 HB3 GLN 59 -22.750 -5.281 -16.784 428 HG2 GLN 59 HG2 GLN 59 -23.997 -5.964 -18.730 429 HG3 GLN 59 HG3 GLN 59 -24.624 -4.438 -18.112 430 HE21 GLN 59 HE21 GLN 59 -24.572 -2.653 -19.375 431 HE22 GLN 59 HE22 GLN 59 -24.003 -2.639 -21.007 432 H ALA 60 H ALA 60 -22.804 -3.183 -14.955 433 HA ALA 60 HA ALA 60 -25.503 -2.460 -15.087 434 HB1 ALA 60 HB1 ALA 60 -25.188 -1.752 -12.699 435 HB2 ALA 60 HB2 ALA 60 -24.657 -3.393 -13.070 436 HB3 ALA 60 HB3 ALA 60 -23.470 -2.101 -12.895 437 H ASP 61 H ASP 61 -22.619 -0.437 -14.604 438 HA ASP 61 HA ASP 61 -24.251 1.971 -14.842 439 HB2 ASP 61 HB2 ASP 61 -22.382 3.181 -14.029 440 HB3 ASP 61 HB3 ASP 61 -22.432 1.696 -13.083 441 H LYS 62 H LYS 62 -23.948 0.284 -17.146 442 HA LYS 62 HA LYS 62 -22.013 1.482 -18.901 443 HB2 LYS 62 HB2 LYS 62 -22.705 -0.863 -19.165 444 HB3 LYS 62 HB3 LYS 62 -24.347 -0.341 -19.514 445 HG2 LYS 62 HG2 LYS 62 -23.612 -0.628 -21.635 446 HG3 LYS 62 HG3 LYS 62 -23.102 1.046 -21.401 447 HD2 LYS 62 HD2 LYS 62 -20.860 0.295 -20.811 448 HD3 LYS 62 HD3 LYS 62 -21.364 -1.388 -20.984 449 HE2 LYS 62 HE2 LYS 62 -22.032 0.089 -23.353 450 HE3 LYS 62 HE3 LYS 62 -20.327 0.316 -22.964 451 HZ1 LYS 62 HZ1 LYS 62 -21.459 -2.393 -22.896 452 HZ2 LYS 62 HZ2 LYS 62 -19.876 -1.899 -23.231 453 HZ3 LYS 62 HZ3 LYS 62 -21.088 -1.699 -24.394 454 H LYS 63 H LYS 63 -25.426 1.881 -18.219 455 HA LYS 63 HA LYS 63 -26.003 3.516 -20.481 456 HB2 LYS 63 HB2 LYS 63 -27.821 2.379 -19.423 457 HB3 LYS 63 HB3 LYS 63 -27.430 3.079 -17.858 458 HG2 LYS 63 HG2 LYS 63 -27.997 5.033 -19.970 459 HG3 LYS 63 HG3 LYS 63 -29.355 3.998 -19.523 460 HD2 LYS 63 HD2 LYS 63 -27.685 5.486 -17.507 461 HD3 LYS 63 HD3 LYS 63 -29.146 6.159 -18.233 462 HE2 LYS 63 HE2 LYS 63 -30.390 4.163 -17.407 463 HE3 LYS 63 HE3 LYS 63 -28.927 3.659 -16.561 464 HZ1 LYS 63 HZ1 LYS 63 -30.243 4.805 -15.002 465 HZ2 LYS 63 HZ2 LYS 63 -30.565 6.077 -16.068 466 HZ3 LYS 63 HZ3 LYS 63 -29.011 5.884 -15.428 467 H LEU 64 H LEU 64 -24.558 4.081 -17.407 468 HA LEU 64 HA LEU 64 -25.059 6.927 -17.405 469 HB2 LEU 64 HB2 LEU 64 -22.996 5.606 -15.698 470 HB3 LEU 64 HB3 LEU 64 -24.028 6.988 -15.336 471 HG LEU 64 HG LEU 64 -24.982 4.131 -15.505 472 HD11 LEU 64 HD11 LEU 64 -23.379 5.100 -13.556 473 HD12 LEU 64 HD12 LEU 64 -24.599 3.851 -13.310 474 HD13 LEU 64 HD13 LEU 64 -24.967 5.531 -12.923 475 HD21 LEU 64 HD21 LEU 64 -26.645 5.867 -13.979 476 HD22 LEU 64 HD22 LEU 64 -27.033 4.971 -15.448 477 HD23 LEU 64 HD23 LEU 64 -26.362 6.599 -15.559 478 HA PRO 65 HA PRO 65 -21.557 8.251 -19.699 479 HB2 PRO 65 HB2 PRO 65 -20.960 10.580 -18.439 480 HB3 PRO 65 HB3 PRO 65 -22.374 10.387 -19.481 481 HG2 PRO 65 HG2 PRO 65 -22.195 10.291 -16.494 482 HG3 PRO 65 HG3 PRO 65 -23.409 11.081 -17.517 483 HD2 PRO 65 HD2 PRO 65 -23.842 8.689 -16.325 484 HD3 PRO 65 HD3 PRO 65 -24.552 9.116 -17.895 485 H ALA 66 H ALA 66 -19.261 8.766 -19.552 486 HA ALA 66 HA ALA 66 -17.896 7.095 -17.726 487 HB1 ALA 66 HB1 ALA 66 -16.890 9.210 -19.621 488 HB2 ALA 66 HB2 ALA 66 -15.840 8.139 -18.692 489 HB3 ALA 66 HB3 ALA 66 -16.951 7.467 -19.886 490 H LYS 67 H LYS 67 -18.673 10.499 -17.726 491 HA LYS 67 HA LYS 67 -16.839 11.278 -15.698 492 HB2 LYS 67 HB2 LYS 67 -18.053 13.350 -15.624 493 HB3 LYS 67 HB3 LYS 67 -17.935 12.845 -17.305 494 HG2 LYS 67 HG2 LYS 67 -20.242 11.910 -17.103 495 HG3 LYS 67 HG3 LYS 67 -20.336 12.650 -15.503 496 HD2 LYS 67 HD2 LYS 67 -20.047 14.847 -16.449 497 HD3 LYS 67 HD3 LYS 67 -19.767 14.162 -18.052 498 HE2 LYS 67 HE2 LYS 67 -22.025 13.366 -18.172 499 HE3 LYS 67 HE3 LYS 67 -22.323 13.813 -16.493 500 HZ1 LYS 67 HZ1 LYS 67 -21.630 16.163 -17.415 501 HZ2 LYS 67 HZ2 LYS 67 -23.221 15.601 -17.534 502 HZ3 LYS 67 HZ3 LYS 67 -22.190 15.507 -18.871 503 H ASP 68 H ASP 68 -20.034 9.889 -15.684 504 HA ASP 68 HA ASP 68 -20.331 10.329 -12.814 505 HB2 ASP 68 HB2 ASP 68 -22.178 9.131 -14.883 506 HB3 ASP 68 HB3 ASP 68 -22.562 9.219 -13.166 507 H LYS 69 H LYS 69 -18.220 8.604 -13.786 508 HA LYS 69 HA LYS 69 -18.733 6.336 -12.102 509 HB2 LYS 69 HB2 LYS 69 -18.382 4.611 -13.772 510 HB3 LYS 69 HB3 LYS 69 -19.767 5.597 -14.221 511 HG2 LYS 69 HG2 LYS 69 -18.475 6.762 -15.874 512 HG3 LYS 69 HG3 LYS 69 -16.999 5.947 -15.351 513 HD2 LYS 69 HD2 LYS 69 -17.521 4.611 -17.117 514 HD3 LYS 69 HD3 LYS 69 -18.477 3.795 -15.877 515 HE2 LYS 69 HE2 LYS 69 -20.436 5.141 -16.562 516 HE3 LYS 69 HE3 LYS 69 -19.466 5.852 -17.851 517 HZ1 LYS 69 HZ1 LYS 69 -19.225 3.087 -18.055 518 HZ2 LYS 69 HZ2 LYS 69 -20.010 4.141 -19.120 519 HZ3 LYS 69 HZ3 LYS 69 -20.872 3.418 -17.856 520 H LYS 70 H LYS 70 -16.876 5.500 -11.279 521 HA LYS 70 HA LYS 70 -14.417 6.889 -11.938 522 HB2 LYS 70 HB2 LYS 70 -14.867 6.626 -9.604 523 HB3 LYS 70 HB3 LYS 70 -15.149 4.900 -9.789 524 HG2 LYS 70 HG2 LYS 70 -13.003 5.289 -8.759 525 HG3 LYS 70 HG3 LYS 70 -12.783 4.589 -10.364 526 HD2 LYS 70 HD2 LYS 70 -11.186 6.323 -10.184 527 HD3 LYS 70 HD3 LYS 70 -12.477 6.957 -11.208 528 HE2 LYS 70 HE2 LYS 70 -13.401 7.788 -8.860 529 HE3 LYS 70 HE3 LYS 70 -11.689 7.708 -8.444 530 HZ1 LYS 70 HZ1 LYS 70 -12.721 9.161 -10.814 531 HZ2 LYS 70 HZ2 LYS 70 -11.162 9.230 -10.162 532 HZ3 LYS 70 HZ3 LYS 70 -12.464 9.897 -9.312 533 H SER 71 H SER 71 -13.062 6.161 -13.425 534 HA SER 71 HA SER 71 -11.772 4.760 -14.679 535 HB2 SER 71 HB2 SER 71 -12.234 3.291 -12.266 536 HB3 SER 71 HB3 SER 71 -12.318 2.176 -13.629 537 HG SER 71 HG SER 71 -10.162 3.385 -12.537 538 H ASP 72 H ASP 72 -14.373 2.511 -13.780 539 HA ASP 72 HA ASP 72 -15.730 2.819 -16.289 540 HB2 ASP 72 HB2 ASP 72 -15.368 0.493 -17.061 541 HB3 ASP 72 HB3 ASP 72 -13.882 1.440 -17.060 542 H MET 73 H MET 73 -16.307 2.900 -13.428 543 HA MET 73 HA MET 73 -18.638 1.175 -13.468 544 HB2 MET 73 HB2 MET 73 -18.172 0.265 -11.207 545 HB3 MET 73 HB3 MET 73 -17.029 -0.293 -12.421 546 HG2 MET 73 HG2 MET 73 -15.765 1.913 -11.467 547 HG3 MET 73 HG3 MET 73 -16.598 1.331 -10.027 548 HE1 MET 73 HE1 MET 73 -15.306 -2.464 -10.113 549 HE2 MET 73 HE2 MET 73 -16.641 -1.417 -9.630 550 HE3 MET 73 HE3 MET 73 -16.486 -1.930 -11.310 551 H SER 74 H SER 74 -20.299 1.870 -12.102 552 HA SER 74 HA SER 74 -20.338 4.648 -11.554 553 HB2 SER 74 HB2 SER 74 -22.477 3.950 -11.951 554 HB3 SER 74 HB3 SER 74 -22.210 2.369 -11.217 555 HG SER 74 HG SER 74 -22.793 4.828 -9.960 556 H ILE 75 H ILE 75 -20.365 5.759 -9.602 557 HA ILE 75 HA ILE 75 -18.572 5.023 -7.646 558 HB ILE 75 HB ILE 75 -20.962 6.839 -7.312 559 HG12 ILE 75 HG12 ILE 75 -18.760 8.439 -7.534 560 HG13 ILE 75 HG13 ILE 75 -18.340 7.123 -8.626 561 HG21 ILE 75 HG21 ILE 75 -19.491 7.885 -5.539 562 HG22 ILE 75 HG22 ILE 75 -20.184 6.312 -5.145 563 HG23 ILE 75 HG23 ILE 75 -18.496 6.433 -5.641 564 HD11 ILE 75 HD11 ILE 75 -20.024 7.618 -10.085 565 HD12 ILE 75 HD12 ILE 75 -21.034 8.358 -8.842 566 HD13 ILE 75 HD13 ILE 75 -19.637 9.227 -9.475 567 H ALA 76 H ALA 76 -21.998 4.308 -7.865 568 HA ALA 76 HA ALA 76 -22.399 3.407 -5.228 569 HB1 ALA 76 HB1 ALA 76 -24.039 3.843 -7.300 570 HB2 ALA 76 HB2 ALA 76 -23.928 2.084 -7.381 571 HB3 ALA 76 HB3 ALA 76 -24.488 2.865 -5.902 572 H HIS 77 H HIS 77 -21.569 1.637 -8.199 573 HA HIS 77 HA HIS 77 -21.372 -0.887 -6.871 574 HB2 HIS 77 HB2 HIS 77 -20.247 -0.085 -9.562 575 HB3 HIS 77 HB3 HIS 77 -20.528 -1.726 -8.988 576 HD1 HIS 77 HD1 HIS 77 -21.923 0.417 -11.297 577 HD2 HIS 77 HD2 HIS 77 -23.568 -1.739 -8.150 578 HE1 HIS 77 HE1 HIS 77 -24.370 0.200 -11.837 579 H TYR 78 H TYR 78 -19.114 1.649 -7.770 580 HA TYR 78 HA TYR 78 -16.704 0.309 -7.421 581 HB2 TYR 78 HB2 TYR 78 -17.025 2.644 -8.318 582 HB3 TYR 78 HB3 TYR 78 -17.212 3.187 -6.654 583 HD1 TYR 78 HD1 TYR 78 -14.900 2.488 -9.272 584 HD2 TYR 78 HD2 TYR 78 -15.265 2.707 -5.039 585 HE1 TYR 78 HE1 TYR 78 -12.459 2.713 -9.079 586 HE2 TYR 78 HE2 TYR 78 -12.825 2.934 -4.834 587 HH TYR 78 HH TYR 78 -10.704 2.194 -7.221 588 H ASN 79 H ASN 79 -18.863 1.753 -5.049 589 HA ASN 79 HA ASN 79 -17.158 1.647 -2.822 590 HB2 ASN 79 HB2 ASN 79 -20.085 1.871 -3.258 591 HB3 ASN 79 HB3 ASN 79 -19.568 1.332 -1.663 592 HD21 ASN 79 HD21 ASN 79 -20.041 3.969 -3.704 593 HD22 ASN 79 HD22 ASN 79 -19.322 5.185 -2.710 594 H ALA 80 H ALA 80 -19.210 -0.773 -4.319 595 HA ALA 80 HA ALA 80 -18.981 -2.685 -2.209 596 HB1 ALA 80 HB1 ALA 80 -20.328 -2.490 -4.746 597 HB2 ALA 80 HB2 ALA 80 -19.567 -4.071 -4.561 598 HB3 ALA 80 HB3 ALA 80 -20.709 -3.495 -3.347 599 H VAL 81 H VAL 81 -17.348 -2.212 -5.320 600 HA VAL 81 HA VAL 81 -15.772 -4.525 -5.289 601 HB VAL 81 HB VAL 81 -14.931 -1.876 -6.463 602 HG11 VAL 81 HG11 VAL 81 -13.641 -3.167 -7.993 603 HG12 VAL 81 HG12 VAL 81 -13.280 -3.765 -6.373 604 HG13 VAL 81 HG13 VAL 81 -14.365 -4.672 -7.428 605 HG21 VAL 81 HG21 VAL 81 -16.078 -3.377 -8.487 606 HG22 VAL 81 HG22 VAL 81 -17.187 -3.571 -7.130 607 HG23 VAL 81 HG23 VAL 81 -16.778 -1.957 -7.710 608 H HIS 82 H HIS 82 -15.030 -1.241 -4.140 609 HA HIS 82 HA HIS 82 -12.422 -1.697 -3.285 610 HB2 HIS 82 HB2 HIS 82 -13.205 0.549 -3.381 611 HB3 HIS 82 HB3 HIS 82 -14.542 0.205 -2.287 612 HD1 HIS 82 HD1 HIS 82 -10.904 -0.676 -1.708 613 HD2 HIS 82 HD2 HIS 82 -13.861 1.816 -0.190 614 HE1 HIS 82 HE1 HIS 82 -9.920 0.349 0.367 615 H SER 83 H SER 83 -15.485 -2.366 -1.703 616 HA SER 83 HA SER 83 -14.530 -2.888 0.880 617 HB2 SER 83 HB2 SER 83 -17.004 -2.971 -0.404 618 HB3 SER 83 HB3 SER 83 -16.735 -4.630 0.130 619 HG SER 83 HG SER 83 -17.642 -3.646 1.850 620 H ALA 84 H ALA 84 -14.994 -5.051 -1.894 621 HA ALA 84 HA ALA 84 -14.100 -7.387 -0.532 622 HB1 ALA 84 HB1 ALA 84 -14.429 -6.770 -3.462 623 HB2 ALA 84 HB2 ALA 84 -13.971 -8.354 -2.837 624 HB3 ALA 84 HB3 ALA 84 -15.536 -7.659 -2.416 625 H ALA 85 H ALA 85 -12.565 -5.247 -2.931 626 HA ALA 85 HA ALA 85 -10.096 -6.535 -3.064 627 HB1 ALA 85 HB1 ALA 85 -10.697 -3.596 -3.387 628 HB2 ALA 85 HB2 ALA 85 -9.219 -4.405 -3.910 629 HB3 ALA 85 HB3 ALA 85 -10.763 -4.822 -4.654 630 H LYS 86 H LYS 86 -11.314 -4.155 -0.775 631 HA LYS 86 HA LYS 86 -8.872 -3.573 0.505 632 HB2 LYS 86 HB2 LYS 86 -10.905 -2.201 0.759 633 HB3 LYS 86 HB3 LYS 86 -11.673 -3.511 1.646 634 HG2 LYS 86 HG2 LYS 86 -9.155 -2.890 2.852 635 HG3 LYS 86 HG3 LYS 86 -10.110 -1.417 2.666 636 HD2 LYS 86 HD2 LYS 86 -11.620 -3.735 3.644 637 HD3 LYS 86 HD3 LYS 86 -10.346 -3.178 4.731 638 HE2 LYS 86 HE2 LYS 86 -12.469 -1.405 3.532 639 HE3 LYS 86 HE3 LYS 86 -12.560 -2.119 5.141 640 HZ1 LYS 86 HZ1 LYS 86 -10.881 0.063 4.168 641 HZ2 LYS 86 HZ2 LYS 86 -10.211 -0.964 5.332 642 HZ3 LYS 86 HZ3 LYS 86 -11.644 -0.129 5.666 643 H THR 87 H THR 87 -11.306 -6.066 1.057 644 HA THR 87 HA THR 87 -10.130 -7.074 3.449 645 HB THR 87 HB THR 87 -11.850 -8.745 1.640 646 HG1 THR 87 HG1 THR 87 -13.381 -7.305 1.805 647 HG21 THR 87 HG21 THR 87 -11.614 -10.067 3.441 648 HG22 THR 87 HG22 THR 87 -12.750 -8.968 4.223 649 HG23 THR 87 HG23 THR 87 -11.014 -8.746 4.443 650 H MET 88 H MET 88 -9.798 -7.820 0.029 651 HA MET 88 HA MET 88 -8.186 -10.161 0.493 652 HB2 MET 88 HB2 MET 88 -8.879 -8.591 -1.987 653 HB3 MET 88 HB3 MET 88 -7.798 -9.977 -2.014 654 HG2 MET 88 HG2 MET 88 -9.546 -11.429 -1.249 655 HG3 MET 88 HG3 MET 88 -10.633 -10.062 -1.015 656 HE1 MET 88 HE1 MET 88 -11.123 -8.361 -3.441 657 HE2 MET 88 HE2 MET 88 -12.237 -9.444 -4.274 658 HE3 MET 88 HE3 MET 88 -12.249 -9.351 -2.512 659 H GLY 89 H GLY 89 -7.654 -6.774 0.220 660 HA2 GLY 89 HA2 GLY 89 -5.724 -5.555 0.548 661 HA3 GLY 89 HA3 GLY 89 -4.880 -7.067 0.849 662 H ILE 90 H ILE 90 -6.672 -6.511 -2.093 663 HA ILE 90 HA ILE 90 -4.176 -6.732 -3.597 664 HB ILE 90 HB ILE 90 -6.995 -6.801 -4.672 665 HG12 ILE 90 HG12 ILE 90 -5.192 -9.124 -3.955 666 HG13 ILE 90 HG13 ILE 90 -6.585 -8.603 -3.013 667 HG21 ILE 90 HG21 ILE 90 -5.952 -6.700 -6.634 668 HG22 ILE 90 HG22 ILE 90 -4.369 -6.853 -5.874 669 HG23 ILE 90 HG23 ILE 90 -5.295 -8.298 -6.282 670 HD11 ILE 90 HD11 ILE 90 -7.726 -8.936 -5.432 671 HD12 ILE 90 HD12 ILE 90 -6.455 -10.158 -5.495 672 HD13 ILE 90 HD13 ILE 90 -7.641 -10.186 -4.191 673 H ASP 91 H ASP 91 -3.478 -5.223 -5.067 674 HA ASP 91 HA ASP 91 -4.793 -2.598 -4.905 675 HB2 ASP 91 HB2 ASP 91 -1.935 -3.373 -5.501 676 HB3 ASP 91 HB3 ASP 91 -2.554 -1.739 -5.719 677 H THR 92 H THR 92 -3.004 -4.629 -7.224 678 HA THR 92 HA THR 92 -4.692 -3.499 -9.360 679 HB THR 92 HB THR 92 -2.542 -2.597 -9.769 680 HG1 THR 92 HG1 THR 92 -2.042 -3.570 -11.745 681 HG21 THR 92 HG21 THR 92 -1.631 -5.069 -8.578 682 HG22 THR 92 HG22 THR 92 -0.777 -3.539 -8.779 683 HG23 THR 92 HG23 THR 92 -0.772 -4.729 -10.079 684 H TRP 93 H TRP 93 -6.150 -5.142 -9.543 685 HA TRP 93 HA TRP 93 -5.113 -7.861 -9.947 686 HB2 TRP 93 HB2 TRP 93 -7.394 -8.628 -9.507 687 HB3 TRP 93 HB3 TRP 93 -6.820 -7.604 -8.193 688 HD1 TRP 93 HD1 TRP 93 -9.485 -7.808 -10.876 689 HE1 TRP 93 HE1 TRP 93 -11.150 -5.871 -10.565 690 HE3 TRP 93 HE3 TRP 93 -6.946 -5.116 -7.349 691 HZ2 TRP 93 HZ2 TRP 93 -11.359 -3.513 -9.028 692 HZ3 TRP 93 HZ3 TRP 93 -7.948 -3.030 -6.511 693 HH2 TRP 93 HH2 TRP 93 -10.109 -2.247 -7.335 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -0.114 3.843 -1.811 2 HA2 GLY 1 HA2 GLY 1 -0.850 1.651 -0.344 3 HA3 GLY 1 HA3 GLY 1 -1.847 1.558 -1.788 4 H ALA 2 H ALA 2 0.027 -0.399 -1.098 5 HA ALA 2 HA ALA 2 2.515 -0.056 -2.406 6 HB1 ALA 2 HB1 ALA 2 2.974 -2.190 -1.773 7 HB2 ALA 2 HB2 ALA 2 1.626 -1.871 -0.681 8 HB3 ALA 2 HB3 ALA 2 1.359 -2.776 -2.170 9 H MET 3 H MET 3 3.081 -1.827 -4.180 10 HA MET 3 HA MET 3 1.006 -1.759 -6.263 11 HB2 MET 3 HB2 MET 3 2.701 -1.217 -7.942 12 HB3 MET 3 HB3 MET 3 2.607 0.039 -6.715 13 HG2 MET 3 HG2 MET 3 4.554 -1.871 -5.910 14 HG3 MET 3 HG3 MET 3 4.867 -1.409 -7.582 15 HE1 MET 3 HE1 MET 3 5.565 1.905 -7.909 16 HE2 MET 3 HE2 MET 3 7.031 1.088 -7.369 17 HE3 MET 3 HE3 MET 3 5.850 0.222 -8.353 18 H ALA 4 H ALA 4 1.386 -3.955 -4.690 19 HA ALA 4 HA ALA 4 1.918 -5.975 -6.591 20 HB1 ALA 4 HB1 ALA 4 4.256 -5.250 -6.040 21 HB2 ALA 4 HB2 ALA 4 3.979 -5.840 -4.401 22 HB3 ALA 4 HB3 ALA 4 3.918 -6.959 -5.762 23 H ASN 5 H ASN 5 0.006 -6.878 -5.955 24 HA ASN 5 HA ASN 5 -1.020 -7.183 -3.428 25 HB2 ASN 5 HB2 ASN 5 -1.993 -9.413 -4.496 26 HB3 ASN 5 HB3 ASN 5 -2.538 -7.825 -5.028 27 HD21 ASN 5 HD21 ASN 5 -2.121 -7.162 -7.070 28 HD22 ASN 5 HD22 ASN 5 -1.339 -8.139 -8.261 29 HA PRO 6 HA PRO 6 1.313 -10.185 -1.240 30 HB2 PRO 6 HB2 PRO 6 -0.611 -11.634 0.013 31 HB3 PRO 6 HB3 PRO 6 -0.201 -9.978 0.476 32 HG2 PRO 6 HG2 PRO 6 -2.460 -10.965 -1.223 33 HG3 PRO 6 HG3 PRO 6 -2.473 -9.728 0.048 34 HD2 PRO 6 HD2 PRO 6 -2.405 -9.109 -2.587 35 HD3 PRO 6 HD3 PRO 6 -1.624 -8.104 -1.350 36 H LYS 7 H LYS 7 1.026 -12.732 -0.616 37 HA LYS 7 HA LYS 7 0.925 -14.087 -3.218 38 HB2 LYS 7 HB2 LYS 7 2.217 -14.965 -0.629 39 HB3 LYS 7 HB3 LYS 7 2.298 -15.830 -2.158 40 HG2 LYS 7 HG2 LYS 7 3.613 -14.130 -3.153 41 HG3 LYS 7 HG3 LYS 7 3.323 -13.026 -1.807 42 HD2 LYS 7 HD2 LYS 7 4.522 -14.627 -0.322 43 HD3 LYS 7 HD3 LYS 7 4.917 -15.587 -1.750 44 HE2 LYS 7 HE2 LYS 7 5.635 -12.677 -1.474 45 HE3 LYS 7 HE3 LYS 7 6.702 -13.981 -0.956 46 HZ1 LYS 7 HZ1 LYS 7 7.414 -13.545 -3.091 47 HZ2 LYS 7 HZ2 LYS 7 5.856 -13.257 -3.683 48 HZ3 LYS 7 HZ3 LYS 7 6.353 -14.838 -3.344 49 H THR 8 H THR 8 -0.306 -14.230 0.072 50 HA THR 8 HA THR 8 -2.320 -16.169 -0.840 51 HB THR 8 HB THR 8 -2.268 -17.149 1.493 52 HG1 THR 8 HG1 THR 8 0.328 -16.001 1.621 53 HG21 THR 8 HG21 THR 8 -0.390 -18.624 1.019 54 HG22 THR 8 HG22 THR 8 0.243 -17.471 -0.155 55 HG23 THR 8 HG23 THR 8 -1.289 -18.290 -0.460 56 H ILE 9 H ILE 9 -4.376 -15.735 -0.251 57 HA ILE 9 HA ILE 9 -4.800 -13.439 1.548 58 HB ILE 9 HB ILE 9 -6.989 -13.158 0.307 59 HG12 ILE 9 HG12 ILE 9 -5.907 -14.408 -2.107 60 HG13 ILE 9 HG13 ILE 9 -6.286 -15.570 -0.841 61 HG21 ILE 9 HG21 ILE 9 -6.041 -11.695 -1.214 62 HG22 ILE 9 HG22 ILE 9 -4.752 -11.891 -0.028 63 HG23 ILE 9 HG23 ILE 9 -4.684 -12.767 -1.557 64 HD11 ILE 9 HD11 ILE 9 -8.124 -15.144 -2.464 65 HD12 ILE 9 HD12 ILE 9 -8.557 -14.865 -0.777 66 HD13 ILE 9 HD13 ILE 9 -8.220 -13.498 -1.838 67 H LYS 10 H LYS 10 -6.077 -13.705 3.276 68 HA LYS 10 HA LYS 10 -6.769 -16.185 4.271 69 HB2 LYS 10 HB2 LYS 10 -7.774 -13.417 4.853 70 HB3 LYS 10 HB3 LYS 10 -8.472 -14.808 5.672 71 HG2 LYS 10 HG2 LYS 10 -5.513 -14.456 5.665 72 HG3 LYS 10 HG3 LYS 10 -6.505 -13.480 6.751 73 HD2 LYS 10 HD2 LYS 10 -7.325 -16.241 6.831 74 HD3 LYS 10 HD3 LYS 10 -5.598 -16.095 7.164 75 HE2 LYS 10 HE2 LYS 10 -6.117 -14.377 8.869 76 HE3 LYS 10 HE3 LYS 10 -7.835 -14.644 8.575 77 HZ1 LYS 10 HZ1 LYS 10 -7.645 -16.136 10.207 78 HZ2 LYS 10 HZ2 LYS 10 -5.961 -16.231 10.084 79 HZ3 LYS 10 HZ3 LYS 10 -6.937 -17.138 9.041 80 H ALA 11 H ALA 11 -8.421 -17.567 4.015 81 HA ALA 11 HA ALA 11 -10.141 -17.407 1.820 82 HB1 ALA 11 HB1 ALA 11 -9.804 -19.564 2.547 83 HB2 ALA 11 HB2 ALA 11 -10.028 -19.141 4.245 84 HB3 ALA 11 HB3 ALA 11 -11.422 -19.237 3.169 85 H ALA 12 H ALA 12 -10.674 -16.607 5.223 86 HA ALA 12 HA ALA 12 -13.411 -16.205 5.216 87 HB1 ALA 12 HB1 ALA 12 -12.459 -16.084 7.313 88 HB2 ALA 12 HB2 ALA 12 -11.172 -15.000 6.784 89 HB3 ALA 12 HB3 ALA 12 -12.814 -14.388 6.984 90 H ALA 13 H ALA 13 -10.846 -14.104 4.050 91 HA ALA 13 HA ALA 13 -12.376 -11.762 3.715 92 HB1 ALA 13 HB1 ALA 13 -10.589 -11.051 2.181 93 HB2 ALA 13 HB2 ALA 13 -9.955 -11.707 3.691 94 HB3 ALA 13 HB3 ALA 13 -9.923 -12.684 2.223 95 H TYR 14 H TYR 14 -11.838 -14.561 1.647 96 HA TYR 14 HA TYR 14 -12.909 -13.555 -0.732 97 HB2 TYR 14 HB2 TYR 14 -11.680 -15.803 -0.227 98 HB3 TYR 14 HB3 TYR 14 -13.301 -16.420 0.072 99 HD1 TYR 14 HD1 TYR 14 -14.509 -17.291 -1.700 100 HD2 TYR 14 HD2 TYR 14 -11.366 -14.540 -2.510 101 HE1 TYR 14 HE1 TYR 14 -14.821 -17.653 -4.113 102 HE2 TYR 14 HE2 TYR 14 -11.671 -14.894 -4.925 103 HH TYR 14 HH TYR 14 -12.703 -16.101 -6.493 104 H ASN 15 H ASN 15 -14.503 -15.452 1.829 105 HA ASN 15 HA ASN 15 -17.070 -15.430 0.712 106 HB2 ASN 15 HB2 ASN 15 -16.021 -15.788 3.502 107 HB3 ASN 15 HB3 ASN 15 -17.756 -15.701 3.218 108 HD21 ASN 15 HD21 ASN 15 -14.830 -17.402 2.220 109 HD22 ASN 15 HD22 ASN 15 -15.606 -18.909 1.887 110 H GLN 16 H GLN 16 -15.380 -13.081 2.689 111 HA GLN 16 HA GLN 16 -17.683 -11.472 3.226 112 HB2 GLN 16 HB2 GLN 16 -15.746 -11.429 4.713 113 HB3 GLN 16 HB3 GLN 16 -14.737 -10.820 3.409 114 HG2 GLN 16 HG2 GLN 16 -15.462 -9.098 5.046 115 HG3 GLN 16 HG3 GLN 16 -15.894 -8.744 3.374 116 HE21 GLN 16 HE21 GLN 16 -17.832 -7.910 3.177 117 HE22 GLN 16 HE22 GLN 16 -19.208 -8.271 4.157 118 H ALA 17 H ALA 17 -15.197 -11.544 0.757 119 HA ALA 17 HA ALA 17 -15.698 -9.008 -0.376 120 HB1 ALA 17 HB1 ALA 17 -14.391 -11.511 -1.362 121 HB2 ALA 17 HB2 ALA 17 -14.677 -10.161 -2.462 122 HB3 ALA 17 HB3 ALA 17 -13.679 -9.933 -1.026 123 H ARG 18 H ARG 18 -16.853 -12.251 -1.296 124 HA ARG 18 HA ARG 18 -18.535 -11.306 -3.382 125 HB2 ARG 18 HB2 ARG 18 -19.554 -13.617 -3.203 126 HB3 ARG 18 HB3 ARG 18 -17.824 -13.564 -3.517 127 HG2 ARG 18 HG2 ARG 18 -17.467 -14.850 -1.757 128 HG3 ARG 18 HG3 ARG 18 -18.187 -13.625 -0.710 129 HD2 ARG 18 HD2 ARG 18 -19.295 -15.796 -0.464 130 HD3 ARG 18 HD3 ARG 18 -20.394 -14.568 -1.092 131 HE ARG 18 HE ARG 18 -19.110 -16.159 -3.122 132 HH11 ARG 18 HH11 ARG 18 -21.835 -15.876 -0.974 133 HH12 ARG 18 HH12 ARG 18 -22.860 -16.896 -1.929 134 HH21 ARG 18 HH21 ARG 18 -20.449 -17.504 -4.387 135 HH22 ARG 18 HH22 ARG 18 -22.070 -17.823 -3.869 136 H SER 19 H SER 19 -18.988 -11.913 0.039 137 HA SER 19 HA SER 19 -21.770 -11.936 0.168 138 HB2 SER 19 HB2 SER 19 -20.520 -12.533 2.118 139 HB3 SER 19 HB3 SER 19 -19.704 -10.970 2.151 140 HG SER 19 HG SER 19 -21.678 -11.455 3.575 141 H THR 20 H THR 20 -19.540 -9.180 0.457 142 HA THR 20 HA THR 20 -21.454 -7.183 0.828 143 HB THR 20 HB THR 20 -18.888 -6.763 -0.698 144 HG1 THR 20 HG1 THR 20 -17.805 -7.153 1.081 145 HG21 THR 20 HG21 THR 20 -20.915 -5.039 0.254 146 HG22 THR 20 HG22 THR 20 -19.369 -4.600 -0.473 147 HG23 THR 20 HG23 THR 20 -19.501 -4.786 1.275 148 H LEU 21 H LEU 21 -20.026 -8.442 -2.168 149 HA LEU 21 HA LEU 21 -21.333 -6.676 -3.926 150 HB2 LEU 21 HB2 LEU 21 -20.524 -9.504 -4.557 151 HB3 LEU 21 HB3 LEU 21 -20.676 -8.150 -5.676 152 HG LEU 21 HG LEU 21 -18.667 -7.982 -3.478 153 HD11 LEU 21 HD11 LEU 21 -17.535 -9.762 -4.157 154 HD12 LEU 21 HD12 LEU 21 -17.348 -9.001 -5.737 155 HD13 LEU 21 HD13 LEU 21 -18.713 -10.076 -5.432 156 HD21 LEU 21 HD21 LEU 21 -18.864 -6.970 -6.309 157 HD22 LEU 21 HD22 LEU 21 -17.436 -6.778 -5.292 158 HD23 LEU 21 HD23 LEU 21 -18.963 -6.030 -4.820 159 H ALA 22 H ALA 22 -22.352 -9.619 -2.365 160 HA ALA 22 HA ALA 22 -24.470 -10.418 -3.952 161 HB1 ALA 22 HB1 ALA 22 -25.127 -11.738 -2.205 162 HB2 ALA 22 HB2 ALA 22 -23.475 -11.371 -1.705 163 HB3 ALA 22 HB3 ALA 22 -24.827 -10.485 -1.000 164 H ASP 23 H ASP 23 -24.202 -7.650 -1.877 165 HA ASP 23 HA ASP 23 -26.890 -7.066 -1.417 166 HB2 ASP 23 HB2 ASP 23 -24.541 -5.882 -0.745 167 HB3 ASP 23 HB3 ASP 23 -25.136 -4.752 -1.958 168 H ALA 24 H ALA 24 -24.876 -6.512 -4.234 169 HA ALA 24 HA ALA 24 -27.158 -5.254 -5.602 170 HB1 ALA 24 HB1 ALA 24 -25.556 -3.733 -6.035 171 HB2 ALA 24 HB2 ALA 24 -24.244 -4.881 -5.766 172 HB3 ALA 24 HB3 ALA 24 -25.101 -4.867 -7.307 173 H GLY 25 H GLY 25 -25.090 -8.021 -5.539 174 HA2 GLY 25 HA2 GLY 25 -26.252 -9.968 -6.672 175 HA3 GLY 25 HA3 GLY 25 -26.233 -8.944 -8.101 176 H SER 26 H SER 26 -25.041 -11.583 -7.689 177 HA SER 26 HA SER 26 -22.232 -10.874 -8.230 178 HB2 SER 26 HB2 SER 26 -22.148 -13.517 -7.439 179 HB3 SER 26 HB3 SER 26 -21.738 -12.133 -6.426 180 HG SER 26 HG SER 26 -23.671 -12.243 -5.457 181 H ARG 27 H ARG 27 -21.716 -11.226 -10.275 182 HA ARG 27 HA ARG 27 -23.352 -12.846 -11.989 183 HB2 ARG 27 HB2 ARG 27 -22.068 -10.687 -12.587 184 HB3 ARG 27 HB3 ARG 27 -20.660 -11.731 -12.729 185 HG2 ARG 27 HG2 ARG 27 -22.502 -13.066 -14.233 186 HG3 ARG 27 HG3 ARG 27 -22.932 -11.380 -14.529 187 HD2 ARG 27 HD2 ARG 27 -20.057 -12.102 -14.633 188 HD3 ARG 27 HD3 ARG 27 -21.082 -12.661 -15.954 189 HE ARG 27 HE ARG 27 -21.440 -9.882 -15.380 190 HH11 ARG 27 HH11 ARG 27 -19.445 -12.190 -17.056 191 HH12 ARG 27 HH12 ARG 27 -18.888 -11.048 -18.235 192 HH21 ARG 27 HH21 ARG 27 -20.714 -8.369 -16.925 193 HH22 ARG 27 HH22 ARG 27 -19.609 -8.875 -18.158 194 H THR 28 H THR 28 -19.875 -12.966 -11.190 195 HA THR 28 HA THR 28 -19.640 -15.658 -12.169 196 HB THR 28 HB THR 28 -17.338 -15.521 -11.684 197 HG1 THR 28 HG1 THR 28 -18.005 -13.391 -9.909 198 HG21 THR 28 HG21 THR 28 -16.691 -13.689 -12.918 199 HG22 THR 28 HG22 THR 28 -17.829 -12.609 -12.111 200 HG23 THR 28 HG23 THR 28 -18.407 -13.757 -13.318 201 H ALA 29 H ALA 29 -19.667 -14.103 -8.987 202 HA ALA 29 HA ALA 29 -19.102 -16.344 -7.422 203 HB1 ALA 29 HB1 ALA 29 -19.160 -14.744 -5.888 204 HB2 ALA 29 HB2 ALA 29 -20.010 -13.662 -6.992 205 HB3 ALA 29 HB3 ALA 29 -20.922 -14.772 -5.969 206 H ALA 30 H ALA 30 -22.044 -15.354 -9.008 207 HA ALA 30 HA ALA 30 -23.929 -16.831 -7.582 208 HB1 ALA 30 HB1 ALA 30 -25.006 -15.490 -9.047 209 HB2 ALA 30 HB2 ALA 30 -23.769 -15.670 -10.292 210 HB3 ALA 30 HB3 ALA 30 -24.970 -16.940 -10.051 211 H LYS 31 H LYS 31 -21.694 -17.812 -10.113 212 HA LYS 31 HA LYS 31 -22.763 -20.541 -10.032 213 HB2 LYS 31 HB2 LYS 31 -22.491 -19.605 -12.256 214 HB3 LYS 31 HB3 LYS 31 -20.806 -19.225 -11.924 215 HG2 LYS 31 HG2 LYS 31 -20.425 -21.693 -11.618 216 HG3 LYS 31 HG3 LYS 31 -22.055 -21.940 -12.248 217 HD2 LYS 31 HD2 LYS 31 -21.319 -21.734 -14.336 218 HD3 LYS 31 HD3 LYS 31 -20.626 -20.152 -13.969 219 HE2 LYS 31 HE2 LYS 31 -18.654 -21.382 -12.986 220 HE3 LYS 31 HE3 LYS 31 -19.329 -22.854 -13.680 221 HZ1 LYS 31 HZ1 LYS 31 -17.951 -20.673 -14.973 222 HZ2 LYS 31 HZ2 LYS 31 -19.347 -21.182 -15.782 223 HZ3 LYS 31 HZ3 LYS 31 -18.111 -22.288 -15.451 224 H SER 32 H SER 32 -20.028 -18.622 -9.116 225 HA SER 32 HA SER 32 -18.496 -21.024 -8.410 226 HB2 SER 32 HB2 SER 32 -17.298 -18.349 -7.986 227 HB3 SER 32 HB3 SER 32 -16.587 -19.809 -8.672 228 HG SER 32 HG SER 32 -17.001 -17.962 -10.141 229 H HIS 33 H HIS 33 -18.727 -21.758 -6.415 230 HA HIS 33 HA HIS 33 -19.901 -20.192 -4.329 231 HB2 HIS 33 HB2 HIS 33 -18.912 -22.986 -4.616 232 HB3 HIS 33 HB3 HIS 33 -19.044 -22.333 -2.986 233 HD1 HIS 33 HD1 HIS 33 -20.924 -24.230 -2.723 234 HD2 HIS 33 HD2 HIS 33 -21.841 -21.084 -5.277 235 HE1 HIS 33 HE1 HIS 33 -23.416 -24.328 -3.042 236 HA PRO 34 HA PRO 34 -16.390 -18.510 -2.310 237 HB2 PRO 34 HB2 PRO 34 -17.011 -18.827 0.313 238 HB3 PRO 34 HB3 PRO 34 -17.824 -17.655 -0.731 239 HG2 PRO 34 HG2 PRO 34 -18.725 -20.381 0.117 240 HG3 PRO 34 HG3 PRO 34 -19.658 -18.877 0.011 241 HD2 PRO 34 HD2 PRO 34 -19.766 -20.796 -1.896 242 HD3 PRO 34 HD3 PRO 34 -19.948 -19.070 -2.268 243 H ILE 35 H ILE 35 -15.008 -19.065 -0.129 244 HA ILE 35 HA ILE 35 -14.049 -21.816 -0.556 245 HB ILE 35 HB ILE 35 -12.499 -19.477 0.561 246 HG12 ILE 35 HG12 ILE 35 -12.376 -20.734 -2.189 247 HG13 ILE 35 HG13 ILE 35 -13.080 -19.164 -1.820 248 HG21 ILE 35 HG21 ILE 35 -10.880 -21.571 -0.493 249 HG22 ILE 35 HG22 ILE 35 -10.962 -20.959 1.159 250 HG23 ILE 35 HG23 ILE 35 -12.034 -22.262 0.647 251 HD11 ILE 35 HD11 ILE 35 -11.105 -18.177 -1.948 252 HD12 ILE 35 HD12 ILE 35 -10.381 -19.340 -0.837 253 HD13 ILE 35 HD13 ILE 35 -10.461 -19.700 -2.561 254 H HIS 36 H HIS 36 -14.228 -23.222 1.057 255 HA HIS 36 HA HIS 36 -14.368 -22.226 3.815 256 HB2 HIS 36 HB2 HIS 36 -16.486 -23.543 2.328 257 HB3 HIS 36 HB3 HIS 36 -16.055 -24.448 3.776 258 HD1 HIS 36 HD1 HIS 36 -15.940 -22.782 6.021 259 HD2 HIS 36 HD2 HIS 36 -18.318 -21.625 2.816 260 HE1 HIS 36 HE1 HIS 36 -17.564 -21.107 6.959 261 H GLY 37 H GLY 37 -13.884 -23.868 5.439 262 HA2 GLY 37 HA2 GLY 37 -12.449 -25.453 6.280 263 HA3 GLY 37 HA3 GLY 37 -13.038 -26.457 4.964 264 H LYS 38 H LYS 38 -11.212 -23.462 4.625 265 HA LYS 38 HA LYS 38 -8.906 -25.026 3.680 266 HB2 LYS 38 HB2 LYS 38 -10.456 -22.925 2.263 267 HB3 LYS 38 HB3 LYS 38 -8.707 -22.884 2.080 268 HG2 LYS 38 HG2 LYS 38 -9.063 -25.453 1.567 269 HG3 LYS 38 HG3 LYS 38 -10.674 -24.886 1.120 270 HD2 LYS 38 HD2 LYS 38 -9.801 -23.420 -0.524 271 HD3 LYS 38 HD3 LYS 38 -8.153 -23.616 0.076 272 HE2 LYS 38 HE2 LYS 38 -7.887 -25.655 -0.922 273 HE3 LYS 38 HE3 LYS 38 -9.604 -26.044 -0.835 274 HZ1 LYS 38 HZ1 LYS 38 -10.012 -24.468 -2.622 275 HZ2 LYS 38 HZ2 LYS 38 -8.908 -25.652 -3.110 276 HZ3 LYS 38 HZ3 LYS 38 -8.362 -24.102 -2.709 277 H THR 39 H THR 39 -6.953 -24.334 4.357 278 HA THR 39 HA THR 39 -6.745 -22.544 6.504 279 HB THR 39 HB THR 39 -4.354 -23.082 4.795 280 HG1 THR 39 HG1 THR 39 -5.708 -25.030 6.380 281 HG21 THR 39 HG21 THR 39 -4.303 -21.836 6.995 282 HG22 THR 39 HG22 THR 39 -3.219 -23.222 6.878 283 HG23 THR 39 HG23 THR 39 -4.733 -23.359 7.771 284 H ASP 40 H ASP 40 -5.885 -22.143 3.078 285 HA ASP 40 HA ASP 40 -6.613 -19.447 2.954 286 HB2 ASP 40 HB2 ASP 40 -4.145 -18.612 2.638 287 HB3 ASP 40 HB3 ASP 40 -4.846 -18.705 4.251 288 H VAL 41 H VAL 41 -6.373 -18.572 0.876 289 HA VAL 41 HA VAL 41 -5.384 -20.485 -1.138 290 HB VAL 41 HB VAL 41 -7.008 -19.260 -2.692 291 HG11 VAL 41 HG11 VAL 41 -8.294 -21.063 -2.453 292 HG12 VAL 41 HG12 VAL 41 -7.286 -21.489 -1.069 293 HG13 VAL 41 HG13 VAL 41 -8.783 -20.588 -0.827 294 HG21 VAL 41 HG21 VAL 41 -8.660 -17.903 -1.857 295 HG22 VAL 41 HG22 VAL 41 -8.562 -18.593 -0.237 296 HG23 VAL 41 HG23 VAL 41 -7.321 -17.470 -0.794 297 HA PRO 42 HA PRO 42 -2.591 -17.472 -2.684 298 HB2 PRO 42 HB2 PRO 42 -2.632 -18.013 -5.344 299 HB3 PRO 42 HB3 PRO 42 -1.859 -19.074 -4.160 300 HG2 PRO 42 HG2 PRO 42 -4.554 -19.311 -5.442 301 HG3 PRO 42 HG3 PRO 42 -3.345 -20.572 -5.138 302 HD2 PRO 42 HD2 PRO 42 -5.509 -20.216 -3.550 303 HD3 PRO 42 HD3 PRO 42 -3.952 -20.797 -2.926 304 H VAL 43 H VAL 43 -2.408 -15.529 -3.909 305 HA VAL 43 HA VAL 43 -4.600 -13.856 -3.903 306 HB VAL 43 HB VAL 43 -2.381 -12.938 -4.026 307 HG11 VAL 43 HG11 VAL 43 -1.016 -13.083 -6.057 308 HG12 VAL 43 HG12 VAL 43 -1.325 -14.677 -5.366 309 HG13 VAL 43 HG13 VAL 43 -2.222 -14.143 -6.788 310 HG21 VAL 43 HG21 VAL 43 -4.529 -12.020 -5.487 311 HG22 VAL 43 HG22 VAL 43 -3.071 -11.105 -5.102 312 HG23 VAL 43 HG23 VAL 43 -3.197 -11.956 -6.641 313 H SER 44 H SER 44 -3.509 -16.045 -6.403 314 HA SER 44 HA SER 44 -4.898 -15.061 -8.600 315 HB2 SER 44 HB2 SER 44 -3.636 -17.575 -7.843 316 HB3 SER 44 HB3 SER 44 -5.048 -17.826 -8.869 317 HG SER 44 HG SER 44 -3.600 -17.420 -10.370 318 H TYR 45 H TYR 45 -6.024 -16.945 -5.872 319 HA TYR 45 HA TYR 45 -8.565 -17.601 -6.992 320 HB2 TYR 45 HB2 TYR 45 -7.246 -18.656 -4.966 321 HB3 TYR 45 HB3 TYR 45 -8.132 -17.452 -4.036 322 HD1 TYR 45 HD1 TYR 45 -8.182 -20.749 -4.798 323 HD2 TYR 45 HD2 TYR 45 -10.761 -17.372 -5.004 324 HE1 TYR 45 HE1 TYR 45 -10.134 -22.244 -4.736 325 HE2 TYR 45 HE2 TYR 45 -12.721 -18.857 -4.941 326 HH TYR 45 HH TYR 45 -12.370 -22.344 -4.498 327 H GLY 46 H GLY 46 -7.483 -15.179 -4.616 328 HA2 GLY 46 HA2 GLY 46 -10.023 -13.996 -4.238 329 HA3 GLY 46 HA3 GLY 46 -8.477 -13.253 -3.857 330 H THR 47 H THR 47 -7.375 -13.250 -6.459 331 HA THR 47 HA THR 47 -8.317 -10.824 -7.450 332 HB THR 47 HB THR 47 -7.059 -11.470 -9.572 333 HG1 THR 47 HG1 THR 47 -6.896 -13.610 -9.656 334 HG21 THR 47 HG21 THR 47 -5.697 -10.204 -8.268 335 HG22 THR 47 HG22 THR 47 -4.840 -11.735 -8.084 336 HG23 THR 47 HG23 THR 47 -5.965 -11.198 -6.837 337 H SER 48 H SER 48 -9.214 -14.119 -8.260 338 HA SER 48 HA SER 48 -10.608 -13.637 -10.636 339 HB2 SER 48 HB2 SER 48 -10.130 -15.843 -8.979 340 HB3 SER 48 HB3 SER 48 -11.886 -15.689 -9.035 341 HG SER 48 HG SER 48 -10.121 -16.428 -11.002 342 H LEU 49 H LEU 49 -11.696 -13.549 -7.267 343 HA LEU 49 HA LEU 49 -14.408 -12.928 -7.940 344 HB2 LEU 49 HB2 LEU 49 -13.844 -14.074 -5.868 345 HB3 LEU 49 HB3 LEU 49 -12.912 -12.677 -5.335 346 HG LEU 49 HG LEU 49 -14.840 -11.403 -4.936 347 HD11 LEU 49 HD11 LEU 49 -16.305 -11.528 -6.651 348 HD12 LEU 49 HD12 LEU 49 -17.115 -12.659 -5.568 349 HD13 LEU 49 HD13 LEU 49 -16.083 -13.265 -6.863 350 HD21 LEU 49 HD21 LEU 49 -15.986 -14.025 -4.146 351 HD22 LEU 49 HD22 LEU 49 -15.774 -12.549 -3.203 352 HD23 LEU 49 HD23 LEU 49 -14.393 -13.599 -3.521 353 H LEU 50 H LEU 50 -11.546 -11.084 -7.075 354 HA LEU 50 HA LEU 50 -12.802 -8.601 -6.638 355 HB2 LEU 50 HB2 LEU 50 -10.246 -9.571 -6.463 356 HB3 LEU 50 HB3 LEU 50 -10.138 -8.470 -7.834 357 HG LEU 50 HG LEU 50 -10.972 -7.786 -5.017 358 HD11 LEU 50 HD11 LEU 50 -8.941 -6.153 -5.571 359 HD12 LEU 50 HD12 LEU 50 -8.490 -7.508 -6.605 360 HD13 LEU 50 HD13 LEU 50 -8.711 -7.756 -4.873 361 HD21 LEU 50 HD21 LEU 50 -11.543 -6.474 -7.535 362 HD22 LEU 50 HD22 LEU 50 -10.609 -5.442 -6.452 363 HD23 LEU 50 HD23 LEU 50 -12.146 -6.122 -5.915 364 H ALA 51 H ALA 51 -11.204 -9.919 -9.534 365 HA ALA 51 HA ALA 51 -11.865 -7.699 -11.185 366 HB1 ALA 51 HB1 ALA 51 -10.271 -8.681 -12.378 367 HB2 ALA 51 HB2 ALA 51 -10.421 -10.174 -11.451 368 HB3 ALA 51 HB3 ALA 51 -11.453 -9.900 -12.854 369 H ALA 52 H ALA 52 -13.424 -10.753 -10.447 370 HA ALA 52 HA ALA 52 -15.285 -10.856 -12.523 371 HB1 ALA 52 HB1 ALA 52 -15.363 -12.801 -11.375 372 HB2 ALA 52 HB2 ALA 52 -15.070 -12.023 -9.820 373 HB3 ALA 52 HB3 ALA 52 -16.682 -11.988 -10.533 374 H ALA 53 H ALA 53 -15.555 -9.347 -9.314 375 HA ALA 53 HA ALA 53 -18.187 -8.360 -9.722 376 HB1 ALA 53 HB1 ALA 53 -17.089 -6.719 -7.811 377 HB2 ALA 53 HB2 ALA 53 -17.900 -8.257 -7.511 378 HB3 ALA 53 HB3 ALA 53 -16.143 -8.200 -7.653 379 H ARG 54 H ARG 54 -14.966 -6.918 -10.058 380 HA ARG 54 HA ARG 54 -15.704 -4.291 -10.571 381 HB2 ARG 54 HB2 ARG 54 -13.422 -4.587 -10.284 382 HB3 ARG 54 HB3 ARG 54 -13.362 -5.976 -11.360 383 HG2 ARG 54 HG2 ARG 54 -13.182 -4.696 -13.236 384 HG3 ARG 54 HG3 ARG 54 -14.064 -3.341 -12.529 385 HD2 ARG 54 HD2 ARG 54 -12.176 -2.363 -11.872 386 HD3 ARG 54 HD3 ARG 54 -11.619 -3.840 -11.088 387 HE ARG 54 HE ARG 54 -11.261 -4.128 -13.843 388 HH11 ARG 54 HH11 ARG 54 -10.035 -2.218 -11.204 389 HH12 ARG 54 HH12 ARG 54 -8.472 -1.995 -11.919 390 HH21 ARG 54 HH21 ARG 54 -9.208 -3.842 -14.796 391 HH22 ARG 54 HH22 ARG 54 -8.004 -2.919 -13.963 392 H ASP 55 H ASP 55 -15.115 -6.896 -12.931 393 HA ASP 55 HA ASP 55 -15.819 -5.420 -15.211 394 HB2 ASP 55 HB2 ASP 55 -14.596 -7.612 -15.193 395 HB3 ASP 55 HB3 ASP 55 -16.129 -8.405 -14.842 396 H GLU 56 H GLU 56 -17.752 -7.520 -13.109 397 HA GLU 56 HA GLU 56 -20.132 -7.456 -14.572 398 HB2 GLU 56 HB2 GLU 56 -19.943 -9.038 -12.811 399 HB3 GLU 56 HB3 GLU 56 -19.586 -7.788 -11.627 400 HG2 GLU 56 HG2 GLU 56 -22.203 -7.735 -13.046 401 HG3 GLU 56 HG3 GLU 56 -21.949 -8.894 -11.742 402 H PHE 57 H PHE 57 -19.004 -5.332 -11.958 403 HA PHE 57 HA PHE 57 -21.278 -3.704 -11.812 404 HB2 PHE 57 HB2 PHE 57 -18.380 -3.158 -11.166 405 HB3 PHE 57 HB3 PHE 57 -19.664 -1.996 -10.848 406 HD1 PHE 57 HD1 PHE 57 -21.824 -3.767 -9.918 407 HD2 PHE 57 HD2 PHE 57 -17.655 -3.806 -9.061 408 HE1 PHE 57 HE1 PHE 57 -22.281 -4.861 -7.762 409 HE2 PHE 57 HE2 PHE 57 -18.105 -4.901 -6.904 410 HZ PHE 57 HZ PHE 57 -20.420 -5.430 -6.252 411 H ARG 58 H ARG 58 -18.569 -3.704 -14.010 412 HA ARG 58 HA ARG 58 -18.762 -1.133 -15.063 413 HB2 ARG 58 HB2 ARG 58 -16.956 -2.827 -15.526 414 HB3 ARG 58 HB3 ARG 58 -18.070 -3.617 -16.633 415 HG2 ARG 58 HG2 ARG 58 -17.456 -2.245 -18.251 416 HG3 ARG 58 HG3 ARG 58 -17.978 -0.858 -17.293 417 HD2 ARG 58 HD2 ARG 58 -15.610 -0.719 -17.985 418 HD3 ARG 58 HD3 ARG 58 -15.818 -0.718 -16.234 419 HE ARG 58 HE ARG 58 -15.395 -3.319 -16.760 420 HH11 ARG 58 HH11 ARG 58 -13.705 -0.428 -17.714 421 HH12 ARG 58 HH12 ARG 58 -12.159 -1.205 -17.805 422 HH21 ARG 58 HH21 ARG 58 -13.365 -4.353 -16.876 423 HH22 ARG 58 HH22 ARG 58 -11.967 -3.438 -17.329 424 H GLN 59 H GLN 59 -20.541 -4.073 -15.874 425 HA GLN 59 HA GLN 59 -21.940 -2.894 -18.075 426 HB2 GLN 59 HB2 GLN 59 -21.579 -5.300 -17.988 427 HB3 GLN 59 HB3 GLN 59 -22.494 -5.407 -16.490 428 HG2 GLN 59 HG2 GLN 59 -24.118 -4.135 -18.443 429 HG3 GLN 59 HG3 GLN 59 -23.432 -5.598 -19.147 430 HE21 GLN 59 HE21 GLN 59 -25.309 -4.332 -16.467 431 HE22 GLN 59 HE22 GLN 59 -26.118 -5.811 -16.089 432 H ALA 60 H ALA 60 -22.556 -3.321 -14.650 433 HA ALA 60 HA ALA 60 -25.286 -2.790 -14.563 434 HB1 ALA 60 HB1 ALA 60 -23.189 -2.030 -12.533 435 HB2 ALA 60 HB2 ALA 60 -24.926 -2.121 -12.241 436 HB3 ALA 60 HB3 ALA 60 -24.020 -3.582 -12.634 437 H ASP 61 H ASP 61 -22.554 -0.521 -14.397 438 HA ASP 61 HA ASP 61 -24.409 1.730 -14.589 439 HB2 ASP 61 HB2 ASP 61 -22.609 3.128 -13.933 440 HB3 ASP 61 HB3 ASP 61 -22.480 1.684 -12.932 441 H LYS 62 H LYS 62 -24.093 -0.006 -16.852 442 HA LYS 62 HA LYS 62 -22.373 1.286 -18.757 443 HB2 LYS 62 HB2 LYS 62 -23.138 -0.321 -20.318 444 HB3 LYS 62 HB3 LYS 62 -23.036 -1.163 -18.778 445 HG2 LYS 62 HG2 LYS 62 -25.070 -1.902 -19.417 446 HG3 LYS 62 HG3 LYS 62 -25.585 -0.396 -18.654 447 HD2 LYS 62 HD2 LYS 62 -26.186 0.536 -20.615 448 HD3 LYS 62 HD3 LYS 62 -24.807 -0.151 -21.478 449 HE2 LYS 62 HE2 LYS 62 -25.909 -2.162 -21.882 450 HE3 LYS 62 HE3 LYS 62 -27.082 -1.888 -20.595 451 HZ1 LYS 62 HZ1 LYS 62 -27.287 0.180 -22.490 452 HZ2 LYS 62 HZ2 LYS 62 -28.447 -0.972 -22.055 453 HZ3 LYS 62 HZ3 LYS 62 -27.352 -1.304 -23.301 454 H LYS 63 H LYS 63 -25.745 1.458 -17.852 455 HA LYS 63 HA LYS 63 -26.613 2.929 -20.133 456 HB2 LYS 63 HB2 LYS 63 -28.253 1.717 -18.879 457 HB3 LYS 63 HB3 LYS 63 -27.801 2.531 -17.387 458 HG2 LYS 63 HG2 LYS 63 -28.655 4.343 -19.516 459 HG3 LYS 63 HG3 LYS 63 -29.901 3.211 -18.982 460 HD2 LYS 63 HD2 LYS 63 -30.243 4.420 -17.148 461 HD3 LYS 63 HD3 LYS 63 -28.547 4.243 -16.691 462 HE2 LYS 63 HE2 LYS 63 -27.947 6.255 -17.621 463 HE3 LYS 63 HE3 LYS 63 -29.268 6.232 -18.788 464 HZ1 LYS 63 HZ1 LYS 63 -30.014 7.805 -17.341 465 HZ2 LYS 63 HZ2 LYS 63 -29.275 7.103 -15.992 466 HZ3 LYS 63 HZ3 LYS 63 -30.696 6.435 -16.621 467 H LEU 64 H LEU 64 -24.993 3.755 -17.208 468 HA LEU 64 HA LEU 64 -25.684 6.567 -17.360 469 HB2 LEU 64 HB2 LEU 64 -23.521 5.482 -15.613 470 HB3 LEU 64 HB3 LEU 64 -24.624 6.825 -15.322 471 HG LEU 64 HG LEU 64 -25.436 3.921 -15.290 472 HD11 LEU 64 HD11 LEU 64 -25.262 3.916 -12.968 473 HD12 LEU 64 HD12 LEU 64 -25.125 5.671 -12.877 474 HD13 LEU 64 HD13 LEU 64 -23.780 4.713 -13.496 475 HD21 LEU 64 HD21 LEU 64 -27.537 4.606 -14.923 476 HD22 LEU 64 HD22 LEU 64 -26.999 6.132 -15.626 477 HD23 LEU 64 HD23 LEU 64 -27.027 5.928 -13.873 478 HA PRO 65 HA PRO 65 -22.302 7.903 -19.820 479 HB2 PRO 65 HB2 PRO 65 -21.807 10.345 -18.741 480 HB3 PRO 65 HB3 PRO 65 -23.228 10.004 -19.735 481 HG2 PRO 65 HG2 PRO 65 -22.989 10.133 -16.754 482 HG3 PRO 65 HG3 PRO 65 -24.263 10.782 -17.804 483 HD2 PRO 65 HD2 PRO 65 -24.545 8.463 -16.435 484 HD3 PRO 65 HD3 PRO 65 -25.305 8.738 -18.016 485 H ALA 66 H ALA 66 -20.035 8.501 -19.774 486 HA ALA 66 HA ALA 66 -18.558 7.063 -17.839 487 HB1 ALA 66 HB1 ALA 66 -17.818 7.415 -20.170 488 HB2 ALA 66 HB2 ALA 66 -17.530 9.115 -19.795 489 HB3 ALA 66 HB3 ALA 66 -16.591 7.862 -18.984 490 H LYS 67 H LYS 67 -19.491 10.414 -18.125 491 HA LYS 67 HA LYS 67 -17.642 11.461 -16.239 492 HB2 LYS 67 HB2 LYS 67 -18.895 13.478 -16.355 493 HB3 LYS 67 HB3 LYS 67 -18.926 12.782 -17.969 494 HG2 LYS 67 HG2 LYS 67 -21.176 11.711 -16.974 495 HG3 LYS 67 HG3 LYS 67 -21.115 13.211 -16.045 496 HD2 LYS 67 HD2 LYS 67 -20.844 13.102 -19.044 497 HD3 LYS 67 HD3 LYS 67 -22.385 13.334 -18.215 498 HE2 LYS 67 HE2 LYS 67 -21.367 15.317 -17.073 499 HE3 LYS 67 HE3 LYS 67 -19.962 15.124 -18.119 500 HZ1 LYS 67 HZ1 LYS 67 -22.125 16.619 -18.701 501 HZ2 LYS 67 HZ2 LYS 67 -22.476 15.184 -19.526 502 HZ3 LYS 67 HZ3 LYS 67 -21.036 16.013 -19.846 503 H ASP 68 H ASP 68 -20.754 9.919 -15.987 504 HA ASP 68 HA ASP 68 -20.992 10.612 -13.162 505 HB2 ASP 68 HB2 ASP 68 -22.826 9.130 -15.052 506 HB3 ASP 68 HB3 ASP 68 -23.165 9.347 -13.337 507 H LYS 69 H LYS 69 -18.813 8.921 -14.033 508 HA LYS 69 HA LYS 69 -19.155 6.794 -12.134 509 HB2 LYS 69 HB2 LYS 69 -18.728 4.947 -13.657 510 HB3 LYS 69 HB3 LYS 69 -20.192 5.796 -14.134 511 HG2 LYS 69 HG2 LYS 69 -19.100 6.834 -15.963 512 HG3 LYS 69 HG3 LYS 69 -17.512 6.311 -15.395 513 HD2 LYS 69 HD2 LYS 69 -17.951 4.780 -17.070 514 HD3 LYS 69 HD3 LYS 69 -18.515 3.920 -15.636 515 HE2 LYS 69 HE2 LYS 69 -20.791 4.478 -16.116 516 HE3 LYS 69 HE3 LYS 69 -20.305 5.565 -17.416 517 HZ1 LYS 69 HZ1 LYS 69 -21.135 3.250 -18.036 518 HZ2 LYS 69 HZ2 LYS 69 -19.631 2.692 -17.501 519 HZ3 LYS 69 HZ3 LYS 69 -19.716 3.797 -18.779 520 H LYS 70 H LYS 70 -17.227 6.097 -11.319 521 HA LYS 70 HA LYS 70 -14.885 7.610 -12.068 522 HB2 LYS 70 HB2 LYS 70 -15.273 7.290 -9.722 523 HB3 LYS 70 HB3 LYS 70 -15.393 5.547 -9.923 524 HG2 LYS 70 HG2 LYS 70 -13.264 6.202 -8.929 525 HG3 LYS 70 HG3 LYS 70 -13.038 5.426 -10.498 526 HD2 LYS 70 HD2 LYS 70 -11.584 7.347 -10.335 527 HD3 LYS 70 HD3 LYS 70 -12.840 7.665 -11.534 528 HE2 LYS 70 HE2 LYS 70 -13.747 9.332 -10.323 529 HE3 LYS 70 HE3 LYS 70 -13.508 8.487 -8.794 530 HZ1 LYS 70 HZ1 LYS 70 -12.184 10.543 -9.012 531 HZ2 LYS 70 HZ2 LYS 70 -11.344 9.848 -10.304 532 HZ3 LYS 70 HZ3 LYS 70 -11.231 9.169 -8.758 533 H SER 71 H SER 71 -13.472 6.986 -13.550 534 HA SER 71 HA SER 71 -12.142 5.690 -14.869 535 HB2 SER 71 HB2 SER 71 -12.516 4.106 -12.470 536 HB3 SER 71 HB3 SER 71 -12.360 3.075 -13.892 537 HG SER 71 HG SER 71 -10.303 3.425 -13.451 538 H ASP 72 H ASP 72 -14.419 3.142 -13.938 539 HA ASP 72 HA ASP 72 -15.882 3.374 -16.422 540 HB2 ASP 72 HB2 ASP 72 -14.379 0.812 -15.868 541 HB3 ASP 72 HB3 ASP 72 -15.337 1.205 -17.293 542 H MET 73 H MET 73 -16.283 3.357 -13.448 543 HA MET 73 HA MET 73 -18.622 1.645 -13.466 544 HB2 MET 73 HB2 MET 73 -18.032 0.587 -11.298 545 HB3 MET 73 HB3 MET 73 -16.976 0.099 -12.616 546 HG2 MET 73 HG2 MET 73 -15.608 2.211 -11.621 547 HG3 MET 73 HG3 MET 73 -16.376 1.586 -10.163 548 HE1 MET 73 HE1 MET 73 -15.198 -2.262 -10.623 549 HE2 MET 73 HE2 MET 73 -16.367 -1.229 -9.801 550 HE3 MET 73 HE3 MET 73 -16.523 -1.533 -11.532 551 H SER 74 H SER 74 -20.200 2.260 -11.973 552 HA SER 74 HA SER 74 -20.232 4.985 -11.266 553 HB2 SER 74 HB2 SER 74 -22.420 4.619 -10.842 554 HB3 SER 74 HB3 SER 74 -22.125 3.005 -11.488 555 HG SER 74 HG SER 74 -23.051 3.456 -9.179 556 H ILE 75 H ILE 75 -20.496 5.881 -9.096 557 HA ILE 75 HA ILE 75 -18.367 5.187 -7.397 558 HB ILE 75 HB ILE 75 -20.807 6.859 -6.780 559 HG12 ILE 75 HG12 ILE 75 -18.759 8.606 -7.066 560 HG13 ILE 75 HG13 ILE 75 -18.263 7.362 -8.208 561 HG21 ILE 75 HG21 ILE 75 -19.977 6.472 -4.682 562 HG22 ILE 75 HG22 ILE 75 -18.324 6.257 -5.255 563 HG23 ILE 75 HG23 ILE 75 -19.014 7.876 -5.144 564 HD11 ILE 75 HD11 ILE 75 -19.728 9.349 -8.998 565 HD12 ILE 75 HD12 ILE 75 -20.068 7.720 -9.583 566 HD13 ILE 75 HD13 ILE 75 -21.049 8.416 -8.293 567 H ALA 76 H ALA 76 -21.836 4.513 -7.210 568 HA ALA 76 HA ALA 76 -21.858 3.335 -4.662 569 HB1 ALA 76 HB1 ALA 76 -23.697 3.697 -6.821 570 HB2 ALA 76 HB2 ALA 76 -23.814 2.043 -6.221 571 HB3 ALA 76 HB3 ALA 76 -24.028 3.399 -5.114 572 H HIS 77 H HIS 77 -21.274 1.967 -7.867 573 HA HIS 77 HA HIS 77 -21.093 -0.732 -6.914 574 HB2 HIS 77 HB2 HIS 77 -20.054 0.358 -9.533 575 HB3 HIS 77 HB3 HIS 77 -20.478 -1.310 -9.162 576 HD1 HIS 77 HD1 HIS 77 -21.714 0.992 -11.271 577 HD2 HIS 77 HD2 HIS 77 -23.488 -0.893 -8.022 578 HE1 HIS 77 HE1 HIS 77 -24.192 1.147 -11.674 579 H TYR 78 H TYR 78 -18.802 1.826 -7.722 580 HA TYR 78 HA TYR 78 -16.433 0.374 -7.628 581 HB2 TYR 78 HB2 TYR 78 -16.778 2.816 -8.295 582 HB3 TYR 78 HB3 TYR 78 -16.703 3.188 -6.576 583 HD1 TYR 78 HD1 TYR 78 -14.823 2.930 -9.517 584 HD2 TYR 78 HD2 TYR 78 -14.586 2.162 -5.339 585 HE1 TYR 78 HE1 TYR 78 -12.368 3.007 -9.648 586 HE2 TYR 78 HE2 TYR 78 -12.130 2.239 -5.458 587 HH TYR 78 HH TYR 78 -10.358 1.971 -7.087 588 H ASN 79 H ASN 79 -18.390 1.696 -5.026 589 HA ASN 79 HA ASN 79 -16.528 1.314 -2.937 590 HB2 ASN 79 HB2 ASN 79 -19.440 1.847 -3.140 591 HB3 ASN 79 HB3 ASN 79 -18.876 1.139 -1.629 592 HD21 ASN 79 HD21 ASN 79 -19.408 3.964 -3.259 593 HD22 ASN 79 HD22 ASN 79 -18.431 5.024 -2.306 594 H ALA 80 H ALA 80 -18.874 -0.791 -4.465 595 HA ALA 80 HA ALA 80 -18.784 -2.860 -2.516 596 HB1 ALA 80 HB1 ALA 80 -20.608 -3.312 -3.725 597 HB2 ALA 80 HB2 ALA 80 -19.999 -2.443 -5.134 598 HB3 ALA 80 HB3 ALA 80 -19.505 -4.111 -4.846 599 H VAL 81 H VAL 81 -17.262 -2.531 -5.723 600 HA VAL 81 HA VAL 81 -15.759 -4.914 -5.563 601 HB VAL 81 HB VAL 81 -16.219 -3.725 -7.685 602 HG11 VAL 81 HG11 VAL 81 -14.938 -1.773 -8.312 603 HG12 VAL 81 HG12 VAL 81 -15.840 -1.439 -6.832 604 HG13 VAL 81 HG13 VAL 81 -14.111 -1.779 -6.756 605 HG21 VAL 81 HG21 VAL 81 -13.515 -4.595 -6.847 606 HG22 VAL 81 HG22 VAL 81 -14.579 -5.243 -8.095 607 HG23 VAL 81 HG23 VAL 81 -13.649 -3.777 -8.403 608 H HIS 82 H HIS 82 -15.081 -1.598 -4.600 609 HA HIS 82 HA HIS 82 -12.321 -1.989 -4.052 610 HB2 HIS 82 HB2 HIS 82 -13.292 0.241 -4.434 611 HB3 HIS 82 HB3 HIS 82 -14.224 0.089 -2.948 612 HD1 HIS 82 HD1 HIS 82 -13.039 0.598 -0.763 613 HD2 HIS 82 HD2 HIS 82 -10.493 0.617 -4.046 614 HE1 HIS 82 HE1 HIS 82 -10.871 1.558 0.074 615 H SER 83 H SER 83 -15.261 -2.347 -2.168 616 HA SER 83 HA SER 83 -14.121 -2.531 0.385 617 HB2 SER 83 HB2 SER 83 -16.688 -3.339 -0.863 618 HB3 SER 83 HB3 SER 83 -16.262 -4.149 0.645 619 HG SER 83 HG SER 83 -16.666 -1.397 0.166 620 H ALA 84 H ALA 84 -14.707 -4.994 -2.084 621 HA ALA 84 HA ALA 84 -13.843 -7.186 -0.484 622 HB1 ALA 84 HB1 ALA 84 -13.696 -8.354 -2.736 623 HB2 ALA 84 HB2 ALA 84 -15.275 -7.719 -2.271 624 HB3 ALA 84 HB3 ALA 84 -14.282 -6.844 -3.436 625 H ALA 85 H ALA 85 -12.281 -5.213 -2.987 626 HA ALA 85 HA ALA 85 -9.861 -6.570 -3.157 627 HB1 ALA 85 HB1 ALA 85 -10.723 -4.644 -4.590 628 HB2 ALA 85 HB2 ALA 85 -10.060 -3.581 -3.348 629 HB3 ALA 85 HB3 ALA 85 -8.996 -4.675 -4.232 630 H LYS 86 H LYS 86 -10.917 -4.097 -0.870 631 HA LYS 86 HA LYS 86 -8.430 -3.679 0.386 632 HB2 LYS 86 HB2 LYS 86 -11.128 -2.809 0.727 633 HB3 LYS 86 HB3 LYS 86 -10.520 -3.343 2.288 634 HG2 LYS 86 HG2 LYS 86 -8.705 -1.621 0.738 635 HG3 LYS 86 HG3 LYS 86 -10.190 -0.859 1.311 636 HD2 LYS 86 HD2 LYS 86 -9.685 -1.392 3.575 637 HD3 LYS 86 HD3 LYS 86 -8.355 -2.449 3.095 638 HE2 LYS 86 HE2 LYS 86 -6.951 -0.733 3.198 639 HE3 LYS 86 HE3 LYS 86 -7.890 0.116 1.971 640 HZ1 LYS 86 HZ1 LYS 86 -9.364 0.497 4.189 641 HZ2 LYS 86 HZ2 LYS 86 -8.230 1.598 3.589 642 HZ3 LYS 86 HZ3 LYS 86 -7.796 0.525 4.823 643 H THR 87 H THR 87 -11.072 -5.933 1.050 644 HA THR 87 HA THR 87 -10.005 -6.993 3.443 645 HB THR 87 HB THR 87 -11.785 -8.493 1.522 646 HG1 THR 87 HG1 THR 87 -13.468 -7.334 2.251 647 HG21 THR 87 HG21 THR 87 -10.707 -9.512 3.674 648 HG22 THR 87 HG22 THR 87 -12.413 -9.795 3.328 649 HG23 THR 87 HG23 THR 87 -11.944 -8.571 4.507 650 H MET 88 H MET 88 -9.554 -7.799 0.053 651 HA MET 88 HA MET 88 -8.040 -10.188 0.643 652 HB2 MET 88 HB2 MET 88 -8.638 -8.708 -1.917 653 HB3 MET 88 HB3 MET 88 -7.609 -10.133 -1.858 654 HG2 MET 88 HG2 MET 88 -9.442 -11.465 -1.019 655 HG3 MET 88 HG3 MET 88 -10.478 -10.041 -0.959 656 HE1 MET 88 HE1 MET 88 -12.006 -9.794 -4.307 657 HE2 MET 88 HE2 MET 88 -12.266 -9.880 -2.564 658 HE3 MET 88 HE3 MET 88 -11.182 -8.660 -3.236 659 H GLY 89 H GLY 89 -7.416 -6.830 0.234 660 HA2 GLY 89 HA2 GLY 89 -5.459 -5.650 0.555 661 HA3 GLY 89 HA3 GLY 89 -4.658 -7.172 0.918 662 H ILE 90 H ILE 90 -6.399 -6.673 -2.064 663 HA ILE 90 HA ILE 90 -3.903 -7.037 -3.533 664 HB ILE 90 HB ILE 90 -6.758 -7.064 -4.517 665 HG12 ILE 90 HG12 ILE 90 -4.918 -9.433 -4.364 666 HG13 ILE 90 HG13 ILE 90 -5.847 -8.936 -2.954 667 HG21 ILE 90 HG21 ILE 90 -4.173 -7.085 -5.896 668 HG22 ILE 90 HG22 ILE 90 -5.283 -8.360 -6.397 669 HG23 ILE 90 HG23 ILE 90 -5.779 -6.670 -6.497 670 HD11 ILE 90 HD11 ILE 90 -6.831 -10.747 -4.440 671 HD12 ILE 90 HD12 ILE 90 -7.884 -9.404 -3.996 672 HD13 ILE 90 HD13 ILE 90 -7.152 -9.458 -5.599 673 H ASP 91 H ASP 91 -3.110 -5.605 -5.032 674 HA ASP 91 HA ASP 91 -4.276 -2.907 -4.940 675 HB2 ASP 91 HB2 ASP 91 -1.503 -3.946 -5.084 676 HB3 ASP 91 HB3 ASP 91 -1.839 -2.489 -6.015 677 H THR 92 H THR 92 -2.580 -5.083 -7.199 678 HA THR 92 HA THR 92 -4.120 -3.846 -9.388 679 HB THR 92 HB THR 92 -1.350 -5.054 -9.515 680 HG1 THR 92 HG1 THR 92 -0.800 -2.856 -10.057 681 HG21 THR 92 HG21 THR 92 -1.565 -3.897 -11.874 682 HG22 THR 92 HG22 THR 92 -3.284 -4.189 -11.613 683 HG23 THR 92 HG23 THR 92 -2.150 -5.539 -11.614 684 H TRP 93 H TRP 93 -5.790 -5.247 -9.619 685 HA TRP 93 HA TRP 93 -5.120 -8.088 -10.022 686 HB2 TRP 93 HB2 TRP 93 -7.289 -8.680 -9.234 687 HB3 TRP 93 HB3 TRP 93 -6.647 -7.507 -8.087 688 HD1 TRP 93 HD1 TRP 93 -9.295 -7.852 -10.843 689 HE1 TRP 93 HE1 TRP 93 -11.011 -5.954 -10.567 690 HE3 TRP 93 HE3 TRP 93 -6.960 -5.176 -7.166 691 HZ2 TRP 93 HZ2 TRP 93 -11.332 -3.629 -8.999 692 HZ3 TRP 93 HZ3 TRP 93 -8.038 -3.126 -6.334 693 HH2 TRP 93 HH2 TRP 93 -10.178 -2.370 -7.233 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -0.426 2.761 -2.743 2 HA2 GLY 1 HA2 GLY 1 -2.378 1.611 -4.254 3 HA3 GLY 1 HA3 GLY 1 -2.372 3.281 -4.800 4 H ALA 2 H ALA 2 -0.491 0.329 -4.571 5 HA ALA 2 HA ALA 2 1.262 1.370 -6.700 6 HB1 ALA 2 HB1 ALA 2 2.090 0.697 -4.180 7 HB2 ALA 2 HB2 ALA 2 2.404 -0.782 -5.089 8 HB3 ALA 2 HB3 ALA 2 3.115 0.744 -5.615 9 H MET 3 H MET 3 2.546 -0.789 -7.546 10 HA MET 3 HA MET 3 0.390 -2.577 -8.447 11 HB2 MET 3 HB2 MET 3 3.029 -1.949 -9.782 12 HB3 MET 3 HB3 MET 3 1.782 -3.010 -10.423 13 HG2 MET 3 HG2 MET 3 1.270 -1.131 -11.570 14 HG3 MET 3 HG3 MET 3 0.301 -0.841 -10.128 15 HE1 MET 3 HE1 MET 3 1.203 2.703 -9.705 16 HE2 MET 3 HE2 MET 3 0.316 1.858 -10.974 17 HE3 MET 3 HE3 MET 3 0.138 1.359 -9.291 18 H ALA 4 H ALA 4 0.527 -4.043 -6.730 19 HA ALA 4 HA ALA 4 2.277 -6.202 -7.076 20 HB1 ALA 4 HB1 ALA 4 4.118 -5.537 -6.023 21 HB2 ALA 4 HB2 ALA 4 3.331 -4.069 -5.441 22 HB3 ALA 4 HB3 ALA 4 3.188 -5.569 -4.525 23 H ASN 5 H ASN 5 0.808 -7.715 -6.640 24 HA ASN 5 HA ASN 5 -1.149 -7.348 -4.541 25 HB2 ASN 5 HB2 ASN 5 -0.885 -9.951 -5.962 26 HB3 ASN 5 HB3 ASN 5 -2.334 -9.049 -5.526 27 HD21 ASN 5 HD21 ASN 5 -2.147 -6.707 -6.667 28 HD22 ASN 5 HD22 ASN 5 -1.961 -6.825 -8.381 29 HA PRO 6 HA PRO 6 0.820 -9.617 -1.342 30 HB2 PRO 6 HB2 PRO 6 -1.284 -10.889 -0.191 31 HB3 PRO 6 HB3 PRO 6 -1.010 -9.150 -0.034 32 HG2 PRO 6 HG2 PRO 6 -2.863 -10.617 -1.872 33 HG3 PRO 6 HG3 PRO 6 -3.156 -9.143 -0.931 34 HD2 PRO 6 HD2 PRO 6 -2.577 -9.092 -3.575 35 HD3 PRO 6 HD3 PRO 6 -2.080 -7.800 -2.464 36 H LYS 7 H LYS 7 1.627 -11.637 -0.793 37 HA LYS 7 HA LYS 7 1.871 -13.559 -2.770 38 HB2 LYS 7 HB2 LYS 7 2.602 -15.079 -0.854 39 HB3 LYS 7 HB3 LYS 7 3.489 -13.574 -1.056 40 HG2 LYS 7 HG2 LYS 7 2.361 -12.571 0.784 41 HG3 LYS 7 HG3 LYS 7 1.226 -13.918 0.896 42 HD2 LYS 7 HD2 LYS 7 2.786 -15.327 1.841 43 HD3 LYS 7 HD3 LYS 7 4.153 -14.451 1.147 44 HE2 LYS 7 HE2 LYS 7 3.043 -12.554 2.755 45 HE3 LYS 7 HE3 LYS 7 2.713 -14.025 3.669 46 HZ1 LYS 7 HZ1 LYS 7 5.328 -14.232 2.813 47 HZ2 LYS 7 HZ2 LYS 7 4.792 -13.921 4.387 48 HZ3 LYS 7 HZ3 LYS 7 5.161 -12.636 3.351 49 H THR 8 H THR 8 -0.420 -13.391 -0.089 50 HA THR 8 HA THR 8 -2.159 -15.260 -1.484 51 HB THR 8 HB THR 8 -2.534 -16.635 0.545 52 HG1 THR 8 HG1 THR 8 -1.424 -16.270 2.351 53 HG21 THR 8 HG21 THR 8 -0.595 -18.016 0.305 54 HG22 THR 8 HG22 THR 8 0.371 -16.657 -0.270 55 HG23 THR 8 HG23 THR 8 -0.931 -17.299 -1.270 56 H ILE 9 H ILE 9 -4.221 -15.586 0.003 57 HA ILE 9 HA ILE 9 -4.876 -13.145 1.462 58 HB ILE 9 HB ILE 9 -7.045 -12.951 0.202 59 HG12 ILE 9 HG12 ILE 9 -5.982 -14.135 -2.231 60 HG13 ILE 9 HG13 ILE 9 -6.193 -15.337 -0.962 61 HG21 ILE 9 HG21 ILE 9 -6.160 -11.458 -1.322 62 HG22 ILE 9 HG22 ILE 9 -4.848 -11.613 -0.154 63 HG23 ILE 9 HG23 ILE 9 -4.774 -12.487 -1.684 64 HD11 ILE 9 HD11 ILE 9 -8.488 -14.972 -0.840 65 HD12 ILE 9 HD12 ILE 9 -8.380 -13.424 -1.679 66 HD13 ILE 9 HD13 ILE 9 -8.131 -14.927 -2.567 67 H LYS 10 H LYS 10 -5.978 -13.618 3.242 68 HA LYS 10 HA LYS 10 -6.610 -16.174 4.072 69 HB2 LYS 10 HB2 LYS 10 -6.987 -13.503 5.049 70 HB3 LYS 10 HB3 LYS 10 -8.454 -14.432 5.333 71 HG2 LYS 10 HG2 LYS 10 -7.349 -14.941 7.240 72 HG3 LYS 10 HG3 LYS 10 -6.693 -16.216 6.210 73 HD2 LYS 10 HD2 LYS 10 -4.866 -15.208 7.373 74 HD3 LYS 10 HD3 LYS 10 -4.777 -14.692 5.687 75 HE2 LYS 10 HE2 LYS 10 -4.724 -12.588 6.401 76 HE3 LYS 10 HE3 LYS 10 -6.378 -12.792 6.977 77 HZ1 LYS 10 HZ1 LYS 10 -5.083 -12.037 8.790 78 HZ2 LYS 10 HZ2 LYS 10 -3.874 -13.188 8.515 79 HZ3 LYS 10 HZ3 LYS 10 -5.393 -13.676 9.077 80 H ALA 11 H ALA 11 -8.324 -17.516 3.894 81 HA ALA 11 HA ALA 11 -10.070 -17.373 1.761 82 HB1 ALA 11 HB1 ALA 11 -9.480 -19.357 3.295 83 HB2 ALA 11 HB2 ALA 11 -10.838 -18.805 4.277 84 HB3 ALA 11 HB3 ALA 11 -11.099 -19.282 2.599 85 H ALA 12 H ALA 12 -10.504 -16.213 5.059 86 HA ALA 12 HA ALA 12 -13.218 -15.681 5.071 87 HB1 ALA 12 HB1 ALA 12 -11.809 -15.461 7.047 88 HB2 ALA 12 HB2 ALA 12 -11.027 -14.045 6.343 89 HB3 ALA 12 HB3 ALA 12 -12.737 -13.987 6.768 90 H ALA 13 H ALA 13 -10.596 -13.855 3.609 91 HA ALA 13 HA ALA 13 -12.025 -11.494 3.046 92 HB1 ALA 13 HB1 ALA 13 -9.492 -11.950 2.927 93 HB2 ALA 13 HB2 ALA 13 -9.824 -12.512 1.288 94 HB3 ALA 13 HB3 ALA 13 -10.208 -10.852 1.746 95 H TYR 14 H TYR 14 -11.743 -14.555 1.351 96 HA TYR 14 HA TYR 14 -12.902 -13.705 -1.092 97 HB2 TYR 14 HB2 TYR 14 -11.573 -15.895 -0.456 98 HB3 TYR 14 HB3 TYR 14 -13.185 -16.525 -0.139 99 HD1 TYR 14 HD1 TYR 14 -11.425 -14.568 -2.800 100 HD2 TYR 14 HD2 TYR 14 -14.213 -17.643 -1.868 101 HE1 TYR 14 HE1 TYR 14 -11.710 -15.029 -5.199 102 HE2 TYR 14 HE2 TYR 14 -14.505 -18.114 -4.264 103 HH TYR 14 HH TYR 14 -12.458 -17.176 -6.585 104 H ASN 15 H ASN 15 -14.266 -15.497 1.670 105 HA ASN 15 HA ASN 15 -16.909 -15.544 0.681 106 HB2 ASN 15 HB2 ASN 15 -15.731 -15.901 3.431 107 HB3 ASN 15 HB3 ASN 15 -17.469 -15.969 3.156 108 HD21 ASN 15 HD21 ASN 15 -14.416 -17.355 2.034 109 HD22 ASN 15 HD22 ASN 15 -15.049 -18.929 1.709 110 H GLN 16 H GLN 16 -15.134 -13.245 2.651 111 HA GLN 16 HA GLN 16 -17.422 -11.681 3.359 112 HB2 GLN 16 HB2 GLN 16 -15.404 -11.681 4.744 113 HB3 GLN 16 HB3 GLN 16 -14.480 -10.990 3.417 114 HG2 GLN 16 HG2 GLN 16 -15.022 -9.277 5.013 115 HG3 GLN 16 HG3 GLN 16 -15.886 -8.980 3.505 116 HE21 GLN 16 HE21 GLN 16 -18.022 -8.740 3.570 117 HE22 GLN 16 HE22 GLN 16 -19.018 -9.028 4.952 118 H ALA 17 H ALA 17 -15.031 -11.605 0.790 119 HA ALA 17 HA ALA 17 -15.682 -9.042 -0.224 120 HB1 ALA 17 HB1 ALA 17 -14.641 -10.086 -2.374 121 HB2 ALA 17 HB2 ALA 17 -13.631 -9.788 -0.959 122 HB3 ALA 17 HB3 ALA 17 -14.221 -11.415 -1.294 123 H ARG 18 H ARG 18 -16.678 -12.314 -1.215 124 HA ARG 18 HA ARG 18 -18.421 -11.423 -3.270 125 HB2 ARG 18 HB2 ARG 18 -19.331 -13.766 -3.136 126 HB3 ARG 18 HB3 ARG 18 -17.595 -13.656 -3.396 127 HG2 ARG 18 HG2 ARG 18 -17.310 -15.016 -1.675 128 HG3 ARG 18 HG3 ARG 18 -17.942 -13.749 -0.621 129 HD2 ARG 18 HD2 ARG 18 -19.128 -15.897 -0.357 130 HD3 ARG 18 HD3 ARG 18 -20.187 -14.590 -0.886 131 HE ARG 18 HE ARG 18 -19.111 -16.188 -3.029 132 HH11 ARG 18 HH11 ARG 18 -21.694 -15.817 -0.725 133 HH12 ARG 18 HH12 ARG 18 -22.827 -16.746 -1.649 134 HH21 ARG 18 HH21 ARG 18 -20.593 -17.413 -4.255 135 HH22 ARG 18 HH22 ARG 18 -22.200 -17.655 -3.656 136 H SER 19 H SER 19 -18.824 -12.077 0.150 137 HA SER 19 HA SER 19 -21.603 -12.205 0.296 138 HB2 SER 19 HB2 SER 19 -20.219 -12.762 2.210 139 HB3 SER 19 HB3 SER 19 -19.621 -11.106 2.303 140 HG SER 19 HG SER 19 -21.316 -10.628 3.431 141 H THR 20 H THR 20 -19.474 -9.372 0.602 142 HA THR 20 HA THR 20 -21.443 -7.447 1.019 143 HB THR 20 HB THR 20 -18.914 -6.955 -0.553 144 HG1 THR 20 HG1 THR 20 -19.269 -7.100 2.274 145 HG21 THR 20 HG21 THR 20 -19.373 -4.784 -0.300 146 HG22 THR 20 HG22 THR 20 -19.684 -4.987 1.424 147 HG23 THR 20 HG23 THR 20 -20.976 -5.265 0.255 148 H LEU 21 H LEU 21 -20.076 -8.673 -2.014 149 HA LEU 21 HA LEU 21 -21.492 -6.930 -3.725 150 HB2 LEU 21 HB2 LEU 21 -20.579 -9.712 -4.414 151 HB3 LEU 21 HB3 LEU 21 -20.806 -8.347 -5.505 152 HG LEU 21 HG LEU 21 -18.751 -8.176 -3.343 153 HD11 LEU 21 HD11 LEU 21 -17.472 -9.018 -5.703 154 HD12 LEU 21 HD12 LEU 21 -18.769 -10.171 -5.390 155 HD13 LEU 21 HD13 LEU 21 -17.553 -9.855 -4.152 156 HD21 LEU 21 HD21 LEU 21 -19.203 -6.175 -4.592 157 HD22 LEU 21 HD22 LEU 21 -19.034 -7.038 -6.121 158 HD23 LEU 21 HD23 LEU 21 -17.629 -6.802 -5.080 159 H ALA 22 H ALA 22 -22.327 -9.944 -2.183 160 HA ALA 22 HA ALA 22 -24.455 -10.807 -3.725 161 HB1 ALA 22 HB1 ALA 22 -23.345 -11.520 -1.295 162 HB2 ALA 22 HB2 ALA 22 -25.007 -11.085 -0.892 163 HB3 ALA 22 HB3 ALA 22 -24.690 -12.321 -2.109 164 H ASP 23 H ASP 23 -24.249 -8.084 -1.583 165 HA ASP 23 HA ASP 23 -26.947 -7.640 -1.030 166 HB2 ASP 23 HB2 ASP 23 -24.555 -5.843 -1.239 167 HB3 ASP 23 HB3 ASP 23 -26.155 -5.150 -0.992 168 H ALA 24 H ALA 24 -25.032 -6.880 -3.872 169 HA ALA 24 HA ALA 24 -27.396 -5.673 -5.137 170 HB1 ALA 24 HB1 ALA 24 -25.322 -4.321 -5.093 171 HB2 ALA 24 HB2 ALA 24 -24.531 -5.561 -6.067 172 HB3 ALA 24 HB3 ALA 24 -25.897 -4.661 -6.725 173 H GLY 25 H GLY 25 -25.230 -8.375 -5.245 174 HA2 GLY 25 HA2 GLY 25 -26.380 -10.336 -6.365 175 HA3 GLY 25 HA3 GLY 25 -26.482 -9.276 -7.763 176 H SER 26 H SER 26 -25.168 -11.876 -7.492 177 HA SER 26 HA SER 26 -22.425 -11.041 -8.176 178 HB2 SER 26 HB2 SER 26 -22.197 -13.698 -7.452 179 HB3 SER 26 HB3 SER 26 -21.770 -12.319 -6.439 180 HG SER 26 HG SER 26 -23.519 -12.617 -5.269 181 H ARG 27 H ARG 27 -22.021 -11.326 -10.256 182 HA ARG 27 HA ARG 27 -23.690 -12.977 -11.908 183 HB2 ARG 27 HB2 ARG 27 -21.686 -10.911 -12.290 184 HB3 ARG 27 HB3 ARG 27 -21.459 -12.245 -13.414 185 HG2 ARG 27 HG2 ARG 27 -24.038 -11.960 -13.787 186 HG3 ARG 27 HG3 ARG 27 -23.728 -10.338 -13.164 187 HD2 ARG 27 HD2 ARG 27 -22.427 -9.749 -14.959 188 HD3 ARG 27 HD3 ARG 27 -21.941 -11.412 -15.287 189 HE ARG 27 HE ARG 27 -24.586 -11.417 -15.854 190 HH11 ARG 27 HH11 ARG 27 -21.926 -9.404 -16.853 191 HH12 ARG 27 HH12 ARG 27 -22.608 -9.049 -18.405 192 HH21 ARG 27 HH21 ARG 27 -25.494 -10.956 -17.896 193 HH22 ARG 27 HH22 ARG 27 -24.637 -9.932 -18.997 194 H THR 28 H THR 28 -20.170 -12.972 -11.311 195 HA THR 28 HA THR 28 -19.881 -15.626 -12.373 196 HB THR 28 HB THR 28 -17.569 -15.400 -12.032 197 HG1 THR 28 HG1 THR 28 -16.891 -14.634 -10.188 198 HG21 THR 28 HG21 THR 28 -18.886 -13.509 -13.420 199 HG22 THR 28 HG22 THR 28 -17.127 -13.571 -13.302 200 HG23 THR 28 HG23 THR 28 -18.044 -12.490 -12.254 201 H ALA 29 H ALA 29 -19.802 -14.155 -9.151 202 HA ALA 29 HA ALA 29 -19.066 -16.413 -7.683 203 HB1 ALA 29 HB1 ALA 29 -19.225 -15.000 -5.978 204 HB2 ALA 29 HB2 ALA 29 -19.819 -13.787 -7.113 205 HB3 ALA 29 HB3 ALA 29 -20.960 -14.802 -6.230 206 H ALA 30 H ALA 30 -22.120 -15.501 -9.087 207 HA ALA 30 HA ALA 30 -23.877 -17.073 -7.604 208 HB1 ALA 30 HB1 ALA 30 -24.995 -17.186 -10.060 209 HB2 ALA 30 HB2 ALA 30 -25.105 -15.791 -8.987 210 HB3 ALA 30 HB3 ALA 30 -23.893 -15.824 -10.267 211 H LYS 31 H LYS 31 -21.697 -17.935 -10.215 212 HA LYS 31 HA LYS 31 -22.692 -20.690 -10.194 213 HB2 LYS 31 HB2 LYS 31 -22.422 -19.654 -12.387 214 HB3 LYS 31 HB3 LYS 31 -20.734 -19.308 -12.038 215 HG2 LYS 31 HG2 LYS 31 -20.399 -21.798 -11.804 216 HG3 LYS 31 HG3 LYS 31 -22.020 -21.987 -12.475 217 HD2 LYS 31 HD2 LYS 31 -21.304 -21.588 -14.553 218 HD3 LYS 31 HD3 LYS 31 -20.388 -20.168 -14.043 219 HE2 LYS 31 HE2 LYS 31 -18.605 -21.418 -14.609 220 HE3 LYS 31 HE3 LYS 31 -18.853 -22.147 -13.024 221 HZ1 LYS 31 HZ1 LYS 31 -19.285 -24.082 -13.978 222 HZ2 LYS 31 HZ2 LYS 31 -18.904 -23.414 -15.484 223 HZ3 LYS 31 HZ3 LYS 31 -20.505 -23.408 -14.937 224 H SER 32 H SER 32 -20.002 -18.739 -9.216 225 HA SER 32 HA SER 32 -18.481 -21.150 -8.488 226 HB2 SER 32 HB2 SER 32 -17.108 -18.581 -8.167 227 HB3 SER 32 HB3 SER 32 -16.579 -20.046 -8.994 228 HG SER 32 HG SER 32 -16.845 -18.411 -10.504 229 H HIS 33 H HIS 33 -18.775 -21.771 -6.459 230 HA HIS 33 HA HIS 33 -19.769 -20.001 -4.436 231 HB2 HIS 33 HB2 HIS 33 -19.130 -22.888 -4.644 232 HB3 HIS 33 HB3 HIS 33 -19.051 -22.186 -3.031 233 HD1 HIS 33 HD1 HIS 33 -21.125 -23.710 -2.439 234 HD2 HIS 33 HD2 HIS 33 -21.842 -20.756 -5.272 235 HE1 HIS 33 HE1 HIS 33 -23.628 -23.525 -2.600 236 HA PRO 34 HA PRO 34 -16.072 -18.595 -2.543 237 HB2 PRO 34 HB2 PRO 34 -16.671 -18.736 0.101 238 HB3 PRO 34 HB3 PRO 34 -17.382 -17.535 -0.982 239 HG2 PRO 34 HG2 PRO 34 -18.533 -20.118 -0.001 240 HG3 PRO 34 HG3 PRO 34 -19.314 -18.534 -0.160 241 HD2 PRO 34 HD2 PRO 34 -19.650 -20.513 -1.978 242 HD3 PRO 34 HD3 PRO 34 -19.666 -18.794 -2.423 243 H ILE 35 H ILE 35 -14.715 -19.194 -0.353 244 HA ILE 35 HA ILE 35 -13.970 -22.011 -0.737 245 HB ILE 35 HB ILE 35 -12.323 -19.811 0.513 246 HG12 ILE 35 HG12 ILE 35 -12.104 -20.998 -2.261 247 HG13 ILE 35 HG13 ILE 35 -12.812 -19.427 -1.901 248 HG21 ILE 35 HG21 ILE 35 -10.486 -21.335 0.388 249 HG22 ILE 35 HG22 ILE 35 -11.818 -22.155 1.201 250 HG23 ILE 35 HG23 ILE 35 -11.459 -22.517 -0.487 251 HD11 ILE 35 HD11 ILE 35 -10.819 -18.445 -1.744 252 HD12 ILE 35 HD12 ILE 35 -10.128 -19.778 -0.819 253 HD13 ILE 35 HD13 ILE 35 -10.214 -19.876 -2.578 254 H HIS 36 H HIS 36 -14.262 -23.436 0.847 255 HA HIS 36 HA HIS 36 -14.600 -22.448 3.598 256 HB2 HIS 36 HB2 HIS 36 -16.650 -23.496 2.033 257 HB3 HIS 36 HB3 HIS 36 -16.158 -24.844 3.054 258 HD1 HIS 36 HD1 HIS 36 -16.837 -21.139 3.659 259 HD2 HIS 36 HD2 HIS 36 -17.619 -24.869 5.313 260 HE1 HIS 36 HE1 HIS 36 -18.224 -20.688 5.708 261 H GLY 37 H GLY 37 -13.997 -23.910 5.261 262 HA2 GLY 37 HA2 GLY 37 -12.566 -25.430 6.216 263 HA3 GLY 37 HA3 GLY 37 -13.106 -26.519 4.947 264 H LYS 38 H LYS 38 -11.223 -23.515 4.740 265 HA LYS 38 HA LYS 38 -8.970 -25.091 3.688 266 HB2 LYS 38 HB2 LYS 38 -10.331 -22.707 2.502 267 HB3 LYS 38 HB3 LYS 38 -8.603 -22.914 2.249 268 HG2 LYS 38 HG2 LYS 38 -9.642 -25.400 1.659 269 HG3 LYS 38 HG3 LYS 38 -10.843 -24.279 1.014 270 HD2 LYS 38 HD2 LYS 38 -9.511 -24.126 -0.776 271 HD3 LYS 38 HD3 LYS 38 -8.456 -23.144 0.244 272 HE2 LYS 38 HE2 LYS 38 -7.161 -25.085 0.850 273 HE3 LYS 38 HE3 LYS 38 -8.277 -26.144 -0.012 274 HZ1 LYS 38 HZ1 LYS 38 -7.550 -25.363 -2.064 275 HZ2 LYS 38 HZ2 LYS 38 -6.121 -25.501 -1.170 276 HZ3 LYS 38 HZ3 LYS 38 -6.826 -23.982 -1.408 277 H THR 39 H THR 39 -6.893 -23.870 3.729 278 HA THR 39 HA THR 39 -6.656 -22.483 6.280 279 HB THR 39 HB THR 39 -4.276 -23.019 4.566 280 HG1 THR 39 HG1 THR 39 -4.279 -25.202 5.313 281 HG21 THR 39 HG21 THR 39 -3.392 -23.704 6.848 282 HG22 THR 39 HG22 THR 39 -4.907 -23.089 7.509 283 HG23 THR 39 HG23 THR 39 -3.813 -22.003 6.652 284 H ASP 40 H ASP 40 -5.696 -21.978 2.890 285 HA ASP 40 HA ASP 40 -6.350 -19.257 2.850 286 HB2 ASP 40 HB2 ASP 40 -3.846 -18.492 2.634 287 HB3 ASP 40 HB3 ASP 40 -4.603 -18.613 4.220 288 H VAL 41 H VAL 41 -6.246 -18.432 0.797 289 HA VAL 41 HA VAL 41 -5.080 -20.209 -1.246 290 HB VAL 41 HB VAL 41 -6.779 -19.090 -2.793 291 HG11 VAL 41 HG11 VAL 41 -6.860 -21.399 -1.425 292 HG12 VAL 41 HG12 VAL 41 -8.318 -20.628 -0.798 293 HG13 VAL 41 HG13 VAL 41 -8.130 -20.883 -2.533 294 HG21 VAL 41 HG21 VAL 41 -7.258 -17.303 -1.008 295 HG22 VAL 41 HG22 VAL 41 -8.622 -17.965 -1.908 296 HG23 VAL 41 HG23 VAL 41 -8.294 -18.523 -0.268 297 HA PRO 42 HA PRO 42 -2.514 -16.954 -2.693 298 HB2 PRO 42 HB2 PRO 42 -2.479 -17.443 -5.363 299 HB3 PRO 42 HB3 PRO 42 -1.640 -18.463 -4.188 300 HG2 PRO 42 HG2 PRO 42 -4.292 -18.886 -5.512 301 HG3 PRO 42 HG3 PRO 42 -2.990 -20.054 -5.215 302 HD2 PRO 42 HD2 PRO 42 -5.195 -19.902 -3.651 303 HD3 PRO 42 HD3 PRO 42 -3.605 -20.371 -3.017 304 H VAL 43 H VAL 43 -2.494 -14.954 -3.789 305 HA VAL 43 HA VAL 43 -4.837 -13.499 -3.829 306 HB VAL 43 HB VAL 43 -2.722 -12.363 -3.793 307 HG11 VAL 43 HG11 VAL 43 -2.087 -14.133 -5.929 308 HG12 VAL 43 HG12 VAL 43 -1.847 -12.475 -6.483 309 HG13 VAL 43 HG13 VAL 43 -1.018 -13.050 -5.036 310 HG21 VAL 43 HG21 VAL 43 -4.865 -11.573 -5.296 311 HG22 VAL 43 HG22 VAL 43 -3.487 -10.556 -4.876 312 HG23 VAL 43 HG23 VAL 43 -3.527 -11.390 -6.430 313 H SER 44 H SER 44 -3.435 -15.480 -6.340 314 HA SER 44 HA SER 44 -4.780 -14.529 -8.578 315 HB2 SER 44 HB2 SER 44 -3.555 -17.121 -7.800 316 HB3 SER 44 HB3 SER 44 -4.671 -17.150 -9.165 317 HG SER 44 HG SER 44 -2.620 -15.224 -9.021 318 H TYR 45 H TYR 45 -5.895 -16.586 -5.976 319 HA TYR 45 HA TYR 45 -8.325 -17.370 -7.274 320 HB2 TYR 45 HB2 TYR 45 -7.017 -18.474 -5.267 321 HB3 TYR 45 HB3 TYR 45 -8.026 -17.407 -4.298 322 HD1 TYR 45 HD1 TYR 45 -10.616 -17.444 -5.272 323 HD2 TYR 45 HD2 TYR 45 -7.799 -20.630 -5.394 324 HE1 TYR 45 HE1 TYR 45 -12.463 -19.064 -5.405 325 HE2 TYR 45 HE2 TYR 45 -9.638 -22.259 -5.529 326 HH TYR 45 HH TYR 45 -12.983 -21.288 -5.158 327 H GLY 46 H GLY 46 -7.524 -15.058 -4.686 328 HA2 GLY 46 HA2 GLY 46 -10.152 -14.089 -4.330 329 HA3 GLY 46 HA3 GLY 46 -8.679 -13.258 -3.852 330 H THR 47 H THR 47 -7.540 -13.082 -6.474 331 HA THR 47 HA THR 47 -8.568 -10.638 -7.322 332 HB THR 47 HB THR 47 -7.344 -11.275 -9.546 333 HG1 THR 47 HG1 THR 47 -7.147 -13.479 -9.255 334 HG21 THR 47 HG21 THR 47 -5.972 -10.977 -6.876 335 HG22 THR 47 HG22 THR 47 -6.401 -9.698 -8.013 336 HG23 THR 47 HG23 THR 47 -5.139 -10.859 -8.425 337 H SER 48 H SER 48 -9.379 -13.907 -8.295 338 HA SER 48 HA SER 48 -10.776 -13.378 -10.649 339 HB2 SER 48 HB2 SER 48 -10.189 -15.634 -9.284 340 HB3 SER 48 HB3 SER 48 -11.898 -15.476 -8.880 341 HG SER 48 HG SER 48 -12.430 -15.676 -10.978 342 H LEU 49 H LEU 49 -11.847 -13.279 -7.284 343 HA LEU 49 HA LEU 49 -14.578 -12.721 -7.935 344 HB2 LEU 49 HB2 LEU 49 -13.330 -13.622 -5.719 345 HB3 LEU 49 HB3 LEU 49 -13.545 -11.926 -5.290 346 HG LEU 49 HG LEU 49 -16.017 -12.928 -6.299 347 HD11 LEU 49 HD11 LEU 49 -14.879 -14.567 -4.040 348 HD12 LEU 49 HD12 LEU 49 -15.109 -15.143 -5.691 349 HD13 LEU 49 HD13 LEU 49 -16.504 -14.679 -4.717 350 HD21 LEU 49 HD21 LEU 49 -15.650 -12.478 -3.406 351 HD22 LEU 49 HD22 LEU 49 -16.840 -11.805 -4.521 352 HD23 LEU 49 HD23 LEU 49 -15.207 -11.138 -4.465 353 H LEU 50 H LEU 50 -11.742 -10.807 -7.127 354 HA LEU 50 HA LEU 50 -13.035 -8.339 -6.729 355 HB2 LEU 50 HB2 LEU 50 -10.440 -9.279 -6.627 356 HB3 LEU 50 HB3 LEU 50 -10.409 -8.127 -7.960 357 HG LEU 50 HG LEU 50 -11.165 -7.576 -5.094 358 HD11 LEU 50 HD11 LEU 50 -8.923 -7.396 -4.997 359 HD12 LEU 50 HD12 LEU 50 -9.224 -5.825 -5.740 360 HD13 LEU 50 HD13 LEU 50 -8.753 -7.198 -6.741 361 HD21 LEU 50 HD21 LEU 50 -11.832 -6.165 -7.557 362 HD22 LEU 50 HD22 LEU 50 -10.988 -5.158 -6.381 363 HD23 LEU 50 HD23 LEU 50 -12.483 -5.977 -5.929 364 H ALA 51 H ALA 51 -11.459 -9.688 -9.623 365 HA ALA 51 HA ALA 51 -12.179 -7.512 -11.306 366 HB1 ALA 51 HB1 ALA 51 -10.799 -10.063 -11.586 367 HB2 ALA 51 HB2 ALA 51 -11.747 -9.623 -13.007 368 HB3 ALA 51 HB3 ALA 51 -10.511 -8.523 -12.395 369 H ALA 52 H ALA 52 -13.669 -10.590 -10.507 370 HA ALA 52 HA ALA 52 -15.572 -10.730 -12.547 371 HB1 ALA 52 HB1 ALA 52 -15.557 -12.680 -11.396 372 HB2 ALA 52 HB2 ALA 52 -15.289 -11.890 -9.841 373 HB3 ALA 52 HB3 ALA 52 -16.902 -11.911 -10.553 374 H ALA 53 H ALA 53 -15.802 -9.240 -9.326 375 HA ALA 53 HA ALA 53 -18.460 -8.285 -9.719 376 HB1 ALA 53 HB1 ALA 53 -18.188 -8.293 -7.499 377 HB2 ALA 53 HB2 ALA 53 -16.433 -8.163 -7.620 378 HB3 ALA 53 HB3 ALA 53 -17.434 -6.715 -7.728 379 H ARG 54 H ARG 54 -15.242 -6.854 -10.029 380 HA ARG 54 HA ARG 54 -15.964 -4.197 -10.415 381 HB2 ARG 54 HB2 ARG 54 -13.682 -4.513 -10.170 382 HB3 ARG 54 HB3 ARG 54 -13.644 -5.868 -11.290 383 HG2 ARG 54 HG2 ARG 54 -13.491 -4.526 -13.130 384 HG3 ARG 54 HG3 ARG 54 -14.329 -3.180 -12.354 385 HD2 ARG 54 HD2 ARG 54 -12.414 -2.277 -11.658 386 HD3 ARG 54 HD3 ARG 54 -11.843 -3.816 -11.014 387 HE ARG 54 HE ARG 54 -11.606 -3.881 -13.801 388 HH11 ARG 54 HH11 ARG 54 -10.233 -2.235 -11.058 389 HH12 ARG 54 HH12 ARG 54 -8.695 -1.982 -11.815 390 HH21 ARG 54 HH21 ARG 54 -9.586 -3.555 -14.808 391 HH22 ARG 54 HH22 ARG 54 -8.328 -2.733 -13.948 392 H ASP 55 H ASP 55 -15.422 -6.706 -12.887 393 HA ASP 55 HA ASP 55 -16.224 -5.084 -15.064 394 HB2 ASP 55 HB2 ASP 55 -14.823 -7.170 -15.217 395 HB3 ASP 55 HB3 ASP 55 -16.291 -8.102 -14.937 396 H GLU 56 H GLU 56 -17.940 -7.376 -13.002 397 HA GLU 56 HA GLU 56 -20.338 -7.515 -14.432 398 HB2 GLU 56 HB2 GLU 56 -19.825 -9.034 -12.594 399 HB3 GLU 56 HB3 GLU 56 -19.877 -7.700 -11.450 400 HG2 GLU 56 HG2 GLU 56 -22.292 -7.375 -12.229 401 HG3 GLU 56 HG3 GLU 56 -22.137 -8.981 -12.936 402 H PHE 57 H PHE 57 -19.394 -5.334 -11.786 403 HA PHE 57 HA PHE 57 -21.790 -3.894 -11.646 404 HB2 PHE 57 HB2 PHE 57 -18.955 -3.093 -10.979 405 HB3 PHE 57 HB3 PHE 57 -20.353 -2.086 -10.621 406 HD1 PHE 57 HD1 PHE 57 -22.290 -4.173 -9.776 407 HD2 PHE 57 HD2 PHE 57 -18.165 -3.658 -8.863 408 HE1 PHE 57 HE1 PHE 57 -22.613 -5.376 -7.654 409 HE2 PHE 57 HE2 PHE 57 -18.481 -4.861 -6.740 410 HZ PHE 57 HZ PHE 57 -20.707 -5.722 -6.134 411 H ARG 58 H ARG 58 -19.180 -3.763 -13.910 412 HA ARG 58 HA ARG 58 -19.427 -1.179 -14.911 413 HB2 ARG 58 HB2 ARG 58 -17.687 -2.952 -15.494 414 HB3 ARG 58 HB3 ARG 58 -18.869 -3.592 -16.627 415 HG2 ARG 58 HG2 ARG 58 -18.894 -1.051 -17.417 416 HG3 ARG 58 HG3 ARG 58 -17.259 -1.117 -16.757 417 HD2 ARG 58 HD2 ARG 58 -18.341 -3.111 -18.738 418 HD3 ARG 58 HD3 ARG 58 -17.456 -1.658 -19.204 419 HE ARG 58 HE ARG 58 -15.984 -3.156 -17.306 420 HH11 ARG 58 HH11 ARG 58 -16.931 -3.142 -20.656 421 HH12 ARG 58 HH12 ARG 58 -15.545 -4.036 -21.186 422 HH21 ARG 58 HH21 ARG 58 -14.155 -4.334 -17.992 423 HH22 ARG 58 HH22 ARG 58 -13.967 -4.714 -19.670 424 H GLN 59 H GLN 59 -21.389 -4.023 -15.467 425 HA GLN 59 HA GLN 59 -22.808 -3.024 -17.714 426 HB2 GLN 59 HB2 GLN 59 -24.161 -4.923 -17.532 427 HB3 GLN 59 HB3 GLN 59 -22.614 -5.453 -16.884 428 HG2 GLN 59 HG2 GLN 59 -23.991 -6.292 -15.292 429 HG3 GLN 59 HG3 GLN 59 -23.704 -4.693 -14.607 430 HE21 GLN 59 HE21 GLN 59 -25.823 -5.928 -17.172 431 HE22 GLN 59 HE22 GLN 59 -27.282 -5.274 -16.517 432 H ALA 60 H ALA 60 -23.207 -2.726 -14.256 433 HA ALA 60 HA ALA 60 -25.875 -1.806 -14.230 434 HB1 ALA 60 HB1 ALA 60 -24.831 -2.602 -12.210 435 HB2 ALA 60 HB2 ALA 60 -23.626 -1.316 -12.283 436 HB3 ALA 60 HB3 ALA 60 -25.320 -0.922 -11.987 437 H ASP 61 H ASP 61 -22.780 -0.052 -14.250 438 HA ASP 61 HA ASP 61 -24.236 2.436 -14.796 439 HB2 ASP 61 HB2 ASP 61 -22.328 3.620 -14.056 440 HB3 ASP 61 HB3 ASP 61 -22.498 2.275 -12.932 441 H LYS 62 H LYS 62 -23.939 0.392 -16.813 442 HA LYS 62 HA LYS 62 -21.871 1.221 -18.628 443 HB2 LYS 62 HB2 LYS 62 -22.726 -1.105 -18.546 444 HB3 LYS 62 HB3 LYS 62 -24.282 -0.533 -19.132 445 HG2 LYS 62 HG2 LYS 62 -23.343 -1.266 -21.078 446 HG3 LYS 62 HG3 LYS 62 -22.838 0.426 -21.099 447 HD2 LYS 62 HD2 LYS 62 -20.847 -0.856 -19.657 448 HD3 LYS 62 HD3 LYS 62 -21.237 -1.991 -20.952 449 HE2 LYS 62 HE2 LYS 62 -20.812 0.914 -21.543 450 HE3 LYS 62 HE3 LYS 62 -19.436 -0.172 -21.357 451 HZ1 LYS 62 HZ1 LYS 62 -19.731 -0.656 -23.490 452 HZ2 LYS 62 HZ2 LYS 62 -21.239 0.107 -23.554 453 HZ3 LYS 62 HZ3 LYS 62 -21.126 -1.500 -23.039 454 H LYS 63 H LYS 63 -25.278 1.890 -18.175 455 HA LYS 63 HA LYS 63 -25.672 3.193 -20.680 456 HB2 LYS 63 HB2 LYS 63 -27.591 2.317 -19.547 457 HB3 LYS 63 HB3 LYS 63 -27.224 3.234 -18.092 458 HG2 LYS 63 HG2 LYS 63 -27.583 4.879 -20.484 459 HG3 LYS 63 HG3 LYS 63 -29.016 3.969 -20.000 460 HD2 LYS 63 HD2 LYS 63 -27.411 5.657 -18.090 461 HD3 LYS 63 HD3 LYS 63 -28.792 6.275 -19.000 462 HE2 LYS 63 HE2 LYS 63 -30.058 4.258 -18.001 463 HE3 LYS 63 HE3 LYS 63 -28.726 4.190 -16.848 464 HZ1 LYS 63 HZ1 LYS 63 -30.708 5.522 -16.141 465 HZ2 LYS 63 HZ2 LYS 63 -30.305 6.649 -17.336 466 HZ3 LYS 63 HZ3 LYS 63 -29.230 6.343 -16.066 467 H LEU 64 H LEU 64 -24.315 4.138 -17.661 468 HA LEU 64 HA LEU 64 -24.647 6.976 -18.118 469 HB2 LEU 64 HB2 LEU 64 -22.771 5.816 -16.102 470 HB3 LEU 64 HB3 LEU 64 -23.713 7.304 -16.024 471 HG LEU 64 HG LEU 64 -24.928 4.550 -15.859 472 HD11 LEU 64 HD11 LEU 64 -23.398 5.982 -13.902 473 HD12 LEU 64 HD12 LEU 64 -24.153 4.393 -13.788 474 HD13 LEU 64 HD13 LEU 64 -25.074 5.839 -13.374 475 HD21 LEU 64 HD21 LEU 64 -26.104 6.961 -16.390 476 HD22 LEU 64 HD22 LEU 64 -26.268 6.844 -14.638 477 HD23 LEU 64 HD23 LEU 64 -26.913 5.568 -15.672 478 HA PRO 65 HA PRO 65 -20.954 7.719 -20.375 479 HB2 PRO 65 HB2 PRO 65 -20.295 10.195 -19.479 480 HB3 PRO 65 HB3 PRO 65 -21.657 9.898 -20.565 481 HG2 PRO 65 HG2 PRO 65 -21.653 10.297 -17.598 482 HG3 PRO 65 HG3 PRO 65 -22.759 10.960 -18.815 483 HD2 PRO 65 HD2 PRO 65 -23.397 8.826 -17.275 484 HD3 PRO 65 HD3 PRO 65 -23.991 9.016 -18.938 485 H ALA 66 H ALA 66 -18.633 8.324 -20.118 486 HA ALA 66 HA ALA 66 -17.436 6.821 -18.043 487 HB1 ALA 66 HB1 ALA 66 -16.571 8.233 -20.414 488 HB2 ALA 66 HB2 ALA 66 -15.437 8.445 -19.080 489 HB3 ALA 66 HB3 ALA 66 -15.869 6.823 -19.622 490 H LYS 67 H LYS 67 -18.133 10.227 -18.440 491 HA LYS 67 HA LYS 67 -16.482 11.145 -16.308 492 HB2 LYS 67 HB2 LYS 67 -17.517 13.259 -16.616 493 HB3 LYS 67 HB3 LYS 67 -17.381 12.543 -18.216 494 HG2 LYS 67 HG2 LYS 67 -19.754 11.812 -18.014 495 HG3 LYS 67 HG3 LYS 67 -19.851 12.727 -16.507 496 HD2 LYS 67 HD2 LYS 67 -19.033 13.941 -19.141 497 HD3 LYS 67 HD3 LYS 67 -20.697 13.925 -18.552 498 HE2 LYS 67 HE2 LYS 67 -20.237 15.820 -17.480 499 HE3 LYS 67 HE3 LYS 67 -19.196 14.880 -16.412 500 HZ1 LYS 67 HZ1 LYS 67 -18.319 16.161 -18.943 501 HZ2 LYS 67 HZ2 LYS 67 -17.333 15.326 -17.852 502 HZ3 LYS 67 HZ3 LYS 67 -18.051 16.788 -17.395 503 H ASP 68 H ASP 68 -19.722 9.885 -16.528 504 HA ASP 68 HA ASP 68 -20.318 10.629 -13.770 505 HB2 ASP 68 HB2 ASP 68 -21.971 9.286 -15.915 506 HB3 ASP 68 HB3 ASP 68 -22.542 9.556 -14.270 507 H LYS 69 H LYS 69 -18.187 8.755 -14.286 508 HA LYS 69 HA LYS 69 -19.041 6.656 -12.504 509 HB2 LYS 69 HB2 LYS 69 -18.422 4.799 -13.948 510 HB3 LYS 69 HB3 LYS 69 -19.699 5.747 -14.699 511 HG2 LYS 69 HG2 LYS 69 -18.122 6.789 -16.186 512 HG3 LYS 69 HG3 LYS 69 -16.774 5.997 -15.367 513 HD2 LYS 69 HD2 LYS 69 -17.152 4.712 -17.298 514 HD3 LYS 69 HD3 LYS 69 -17.903 3.797 -15.989 515 HE2 LYS 69 HE2 LYS 69 -20.066 4.982 -16.625 516 HE3 LYS 69 HE3 LYS 69 -19.231 5.482 -18.095 517 HZ1 LYS 69 HZ1 LYS 69 -19.148 3.349 -18.884 518 HZ2 LYS 69 HZ2 LYS 69 -20.623 3.306 -18.058 519 HZ3 LYS 69 HZ3 LYS 69 -19.238 2.641 -17.351 520 H LYS 70 H LYS 70 -17.091 5.040 -12.244 521 HA LYS 70 HA LYS 70 -14.524 6.394 -12.543 522 HB2 LYS 70 HB2 LYS 70 -15.457 7.092 -10.340 523 HB3 LYS 70 HB3 LYS 70 -15.510 5.400 -9.863 524 HG2 LYS 70 HG2 LYS 70 -13.561 6.375 -8.910 525 HG3 LYS 70 HG3 LYS 70 -13.046 5.294 -10.207 526 HD2 LYS 70 HD2 LYS 70 -11.761 7.284 -10.410 527 HD3 LYS 70 HD3 LYS 70 -12.957 7.311 -11.708 528 HE2 LYS 70 HE2 LYS 70 -14.364 8.806 -10.387 529 HE3 LYS 70 HE3 LYS 70 -13.192 8.760 -9.071 530 HZ1 LYS 70 HZ1 LYS 70 -13.048 10.748 -10.545 531 HZ2 LYS 70 HZ2 LYS 70 -12.542 9.729 -11.797 532 HZ3 LYS 70 HZ3 LYS 70 -11.602 9.881 -10.399 533 H SER 71 H SER 71 -13.319 4.935 -13.554 534 HA SER 71 HA SER 71 -12.203 3.002 -14.011 535 HB2 SER 71 HB2 SER 71 -12.094 3.000 -11.401 536 HB3 SER 71 HB3 SER 71 -13.297 1.717 -11.527 537 HG SER 71 HG SER 71 -11.417 0.645 -11.601 538 H ASP 72 H ASP 72 -14.684 3.393 -15.160 539 HA ASP 72 HA ASP 72 -16.256 2.293 -16.383 540 HB2 ASP 72 HB2 ASP 72 -15.114 -0.362 -15.597 541 HB3 ASP 72 HB3 ASP 72 -15.774 0.155 -17.147 542 H MET 73 H MET 73 -16.419 2.644 -13.371 543 HA MET 73 HA MET 73 -18.898 1.180 -13.056 544 HB2 MET 73 HB2 MET 73 -18.173 0.363 -10.765 545 HB3 MET 73 HB3 MET 73 -17.477 -0.478 -12.143 546 HG2 MET 73 HG2 MET 73 -15.523 1.207 -11.847 547 HG3 MET 73 HG3 MET 73 -16.185 1.404 -10.226 548 HE1 MET 73 HE1 MET 73 -16.215 -2.554 -9.303 549 HE2 MET 73 HE2 MET 73 -17.108 -1.050 -9.078 550 HE3 MET 73 HE3 MET 73 -17.301 -1.976 -10.568 551 H SER 74 H SER 74 -20.357 2.292 -11.874 552 HA SER 74 HA SER 74 -19.879 4.986 -11.230 553 HB2 SER 74 HB2 SER 74 -22.116 3.957 -11.775 554 HB3 SER 74 HB3 SER 74 -22.126 3.274 -10.149 555 HG SER 74 HG SER 74 -22.044 6.023 -10.849 556 H ILE 75 H ILE 75 -19.858 6.044 -9.195 557 HA ILE 75 HA ILE 75 -18.090 5.074 -7.323 558 HB ILE 75 HB ILE 75 -20.333 7.020 -6.773 559 HG12 ILE 75 HG12 ILE 75 -18.040 8.488 -7.120 560 HG13 ILE 75 HG13 ILE 75 -17.847 7.219 -8.325 561 HG21 ILE 75 HG21 ILE 75 -18.486 7.895 -5.162 562 HG22 ILE 75 HG22 ILE 75 -19.488 6.526 -4.685 563 HG23 ILE 75 HG23 ILE 75 -17.855 6.254 -5.294 564 HD11 ILE 75 HD11 ILE 75 -19.573 9.534 -8.333 565 HD12 ILE 75 HD12 ILE 75 -19.096 8.471 -9.658 566 HD13 ILE 75 HD13 ILE 75 -20.467 8.044 -8.633 567 H ALA 76 H ALA 76 -21.607 4.774 -7.372 568 HA ALA 76 HA ALA 76 -22.007 3.735 -4.817 569 HB1 ALA 76 HB1 ALA 76 -24.079 3.960 -5.587 570 HB2 ALA 76 HB2 ALA 76 -23.522 3.964 -7.261 571 HB3 ALA 76 HB3 ALA 76 -23.855 2.436 -6.446 572 H HIS 77 H HIS 77 -21.329 2.037 -7.866 573 HA HIS 77 HA HIS 77 -21.295 -0.546 -6.621 574 HB2 HIS 77 HB2 HIS 77 -20.181 0.223 -9.324 575 HB3 HIS 77 HB3 HIS 77 -20.641 -1.389 -8.783 576 HD1 HIS 77 HD1 HIS 77 -21.892 1.407 -10.656 577 HD2 HIS 77 HD2 HIS 77 -23.572 -1.511 -8.221 578 HE1 HIS 77 HE1 HIS 77 -24.341 1.381 -11.229 579 H TYR 78 H TYR 78 -18.913 1.877 -7.476 580 HA TYR 78 HA TYR 78 -16.579 0.380 -7.308 581 HB2 TYR 78 HB2 TYR 78 -16.875 2.833 -7.990 582 HB3 TYR 78 HB3 TYR 78 -16.798 3.202 -6.271 583 HD1 TYR 78 HD1 TYR 78 -14.914 2.891 -9.206 584 HD2 TYR 78 HD2 TYR 78 -14.712 2.129 -5.025 585 HE1 TYR 78 HE1 TYR 78 -12.457 2.907 -9.328 586 HE2 TYR 78 HE2 TYR 78 -12.255 2.144 -5.135 587 HH TYR 78 HH TYR 78 -10.474 2.134 -6.508 588 H ASN 79 H ASN 79 -18.576 1.754 -4.765 589 HA ASN 79 HA ASN 79 -16.780 1.371 -2.624 590 HB2 ASN 79 HB2 ASN 79 -19.634 2.010 -2.945 591 HB3 ASN 79 HB3 ASN 79 -19.246 1.157 -1.454 592 HD21 ASN 79 HD21 ASN 79 -19.692 4.106 -2.675 593 HD22 ASN 79 HD22 ASN 79 -18.662 5.036 -1.644 594 H ALA 80 H ALA 80 -19.088 -0.740 -4.204 595 HA ALA 80 HA ALA 80 -19.077 -2.794 -2.246 596 HB1 ALA 80 HB1 ALA 80 -20.789 -3.405 -3.521 597 HB2 ALA 80 HB2 ALA 80 -20.263 -2.341 -4.827 598 HB3 ALA 80 HB3 ALA 80 -19.627 -3.983 -4.716 599 H VAL 81 H VAL 81 -17.401 -2.497 -5.380 600 HA VAL 81 HA VAL 81 -15.895 -4.873 -5.097 601 HB VAL 81 HB VAL 81 -16.306 -3.703 -7.264 602 HG11 VAL 81 HG11 VAL 81 -14.877 -1.834 -7.893 603 HG12 VAL 81 HG12 VAL 81 -15.867 -1.418 -6.492 604 HG13 VAL 81 HG13 VAL 81 -14.163 -1.821 -6.281 605 HG21 VAL 81 HG21 VAL 81 -14.569 -5.437 -6.995 606 HG22 VAL 81 HG22 VAL 81 -14.152 -4.245 -8.226 607 HG23 VAL 81 HG23 VAL 81 -13.392 -4.173 -6.636 608 H HIS 82 H HIS 82 -15.300 -1.530 -4.189 609 HA HIS 82 HA HIS 82 -12.558 -1.769 -3.594 610 HB2 HIS 82 HB2 HIS 82 -13.504 0.419 -3.828 611 HB3 HIS 82 HB3 HIS 82 -14.679 0.111 -2.553 612 HD1 HIS 82 HD1 HIS 82 -13.811 0.196 -0.098 613 HD2 HIS 82 HD2 HIS 82 -10.983 1.216 -2.966 614 HE1 HIS 82 HE1 HIS 82 -11.927 1.275 1.170 615 H SER 83 H SER 83 -15.458 -2.376 -1.695 616 HA SER 83 HA SER 83 -14.216 -2.681 0.813 617 HB2 SER 83 HB2 SER 83 -16.643 -2.398 0.567 618 HB3 SER 83 HB3 SER 83 -16.752 -3.970 -0.226 619 HG SER 83 HG SER 83 -16.327 -3.349 2.462 620 H ALA 84 H ALA 84 -14.846 -4.953 -1.809 621 HA ALA 84 HA ALA 84 -13.994 -7.269 -0.385 622 HB1 ALA 84 HB1 ALA 84 -14.452 -6.689 -3.295 623 HB2 ALA 84 HB2 ALA 84 -13.848 -8.249 -2.734 624 HB3 ALA 84 HB3 ALA 84 -15.426 -7.670 -2.199 625 H ALA 85 H ALA 85 -12.436 -5.231 -2.854 626 HA ALA 85 HA ALA 85 -10.009 -6.578 -3.016 627 HB1 ALA 85 HB1 ALA 85 -10.213 -3.591 -3.220 628 HB2 ALA 85 HB2 ALA 85 -9.155 -4.690 -4.106 629 HB3 ALA 85 HB3 ALA 85 -10.884 -4.658 -4.455 630 H LYS 86 H LYS 86 -11.131 -4.198 -0.685 631 HA LYS 86 HA LYS 86 -8.641 -3.697 0.554 632 HB2 LYS 86 HB2 LYS 86 -11.229 -2.736 0.814 633 HB3 LYS 86 HB3 LYS 86 -10.934 -3.539 2.350 634 HG2 LYS 86 HG2 LYS 86 -9.004 -1.557 1.189 635 HG3 LYS 86 HG3 LYS 86 -10.364 -1.073 2.204 636 HD2 LYS 86 HD2 LYS 86 -9.515 -2.617 3.965 637 HD3 LYS 86 HD3 LYS 86 -8.097 -2.916 2.957 638 HE2 LYS 86 HE2 LYS 86 -7.291 -0.758 3.233 639 HE3 LYS 86 HE3 LYS 86 -8.872 -0.117 3.675 640 HZ1 LYS 86 HZ1 LYS 86 -8.574 -0.641 5.817 641 HZ2 LYS 86 HZ2 LYS 86 -6.930 -0.697 5.427 642 HZ3 LYS 86 HZ3 LYS 86 -7.835 -2.125 5.477 643 H THR 87 H THR 87 -11.206 -6.045 1.198 644 HA THR 87 HA THR 87 -10.059 -7.106 3.563 645 HB THR 87 HB THR 87 -11.820 -8.717 1.736 646 HG1 THR 87 HG1 THR 87 -12.550 -6.510 3.378 647 HG21 THR 87 HG21 THR 87 -11.898 -8.455 4.734 648 HG22 THR 87 HG22 THR 87 -10.847 -9.609 3.913 649 HG23 THR 87 HG23 THR 87 -12.597 -9.722 3.728 650 H MET 88 H MET 88 -9.709 -7.863 0.150 651 HA MET 88 HA MET 88 -8.153 -10.243 0.653 652 HB2 MET 88 HB2 MET 88 -8.833 -8.720 -1.861 653 HB3 MET 88 HB3 MET 88 -7.791 -10.137 -1.857 654 HG2 MET 88 HG2 MET 88 -9.589 -11.500 -0.993 655 HG3 MET 88 HG3 MET 88 -10.636 -10.087 -0.880 656 HE1 MET 88 HE1 MET 88 -11.032 -8.531 -3.022 657 HE2 MET 88 HE2 MET 88 -11.777 -9.360 -4.389 658 HE3 MET 88 HE3 MET 88 -12.398 -9.616 -2.757 659 H GLY 89 H GLY 89 -7.570 -6.872 0.291 660 HA2 GLY 89 HA2 GLY 89 -5.617 -5.679 0.576 661 HA3 GLY 89 HA3 GLY 89 -4.793 -7.198 0.899 662 H ILE 90 H ILE 90 -6.611 -6.674 -2.033 663 HA ILE 90 HA ILE 90 -4.155 -7.012 -3.570 664 HB ILE 90 HB ILE 90 -7.013 -6.947 -4.545 665 HG12 ILE 90 HG12 ILE 90 -5.239 -9.356 -4.117 666 HG13 ILE 90 HG13 ILE 90 -6.444 -8.819 -2.952 667 HG21 ILE 90 HG21 ILE 90 -4.409 -7.153 -5.874 668 HG22 ILE 90 HG22 ILE 90 -5.584 -8.372 -6.366 669 HG23 ILE 90 HG23 ILE 90 -5.976 -6.659 -6.514 670 HD11 ILE 90 HD11 ILE 90 -8.211 -9.216 -4.530 671 HD12 ILE 90 HD12 ILE 90 -7.043 -9.617 -5.789 672 HD13 ILE 90 HD13 ILE 90 -7.217 -10.666 -4.382 673 H ASP 91 H ASP 91 -3.399 -5.561 -5.076 674 HA ASP 91 HA ASP 91 -4.515 -2.849 -4.876 675 HB2 ASP 91 HB2 ASP 91 -1.752 -3.813 -5.637 676 HB3 ASP 91 HB3 ASP 91 -2.268 -2.132 -5.746 677 H THR 92 H THR 92 -2.763 -4.780 -7.314 678 HA THR 92 HA THR 92 -4.498 -3.573 -9.368 679 HB THR 92 HB THR 92 -2.714 -3.980 -10.987 680 HG1 THR 92 HG1 THR 92 -0.618 -4.636 -10.043 681 HG21 THR 92 HG21 THR 92 -2.739 -1.854 -9.730 682 HG22 THR 92 HG22 THR 92 -1.108 -2.338 -10.196 683 HG23 THR 92 HG23 THR 92 -1.656 -2.568 -8.536 684 H TRP 93 H TRP 93 -6.120 -5.018 -9.620 685 HA TRP 93 HA TRP 93 -5.377 -7.824 -10.122 686 HB2 TRP 93 HB2 TRP 93 -7.531 -8.490 -9.344 687 HB3 TRP 93 HB3 TRP 93 -6.903 -7.342 -8.165 688 HD1 TRP 93 HD1 TRP 93 -9.663 -7.767 -10.755 689 HE1 TRP 93 HE1 TRP 93 -11.377 -5.869 -10.465 690 HE3 TRP 93 HE3 TRP 93 -7.121 -4.888 -7.380 691 HZ2 TRP 93 HZ2 TRP 93 -11.619 -3.468 -9.000 692 HZ3 TRP 93 HZ3 TRP 93 -8.163 -2.805 -6.585 693 HH2 TRP 93 HH2 TRP 93 -10.365 -2.112 -7.380 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -1.998 1.929 -2.294 2 HA2 GLY 1 HA2 GLY 1 0.355 2.542 -3.412 3 HA3 GLY 1 HA3 GLY 1 0.856 1.395 -2.179 4 H ALA 2 H ALA 2 -0.297 1.772 -5.326 5 HA ALA 2 HA ALA 2 -1.629 -0.710 -5.675 6 HB1 ALA 2 HB1 ALA 2 -0.744 1.497 -7.364 7 HB2 ALA 2 HB2 ALA 2 -0.657 -0.076 -8.160 8 HB3 ALA 2 HB3 ALA 2 -2.184 0.485 -7.479 9 H MET 3 H MET 3 -0.675 -2.210 -7.528 10 HA MET 3 HA MET 3 0.809 -3.850 -8.050 11 HB2 MET 3 HB2 MET 3 2.209 -1.518 -8.257 12 HB3 MET 3 HB3 MET 3 3.197 -2.409 -7.107 13 HG2 MET 3 HG2 MET 3 4.164 -3.265 -8.924 14 HG3 MET 3 HG3 MET 3 2.744 -4.306 -8.989 15 HE1 MET 3 HE1 MET 3 4.842 -3.488 -11.065 16 HE2 MET 3 HE2 MET 3 3.622 -4.261 -12.076 17 HE3 MET 3 HE3 MET 3 4.203 -2.644 -12.475 18 H ALA 4 H ALA 4 2.611 -5.254 -7.102 19 HA ALA 4 HA ALA 4 3.382 -6.592 -5.429 20 HB1 ALA 4 HB1 ALA 4 2.781 -4.321 -3.545 21 HB2 ALA 4 HB2 ALA 4 3.946 -5.627 -3.329 22 HB3 ALA 4 HB3 ALA 4 4.223 -4.393 -4.558 23 H ASN 5 H ASN 5 1.614 -8.017 -5.693 24 HA ASN 5 HA ASN 5 -0.723 -7.660 -4.004 25 HB2 ASN 5 HB2 ASN 5 -0.266 -10.167 -5.555 26 HB3 ASN 5 HB3 ASN 5 -1.757 -9.268 -5.288 27 HD21 ASN 5 HD21 ASN 5 -2.463 -7.977 -6.846 28 HD22 ASN 5 HD22 ASN 5 -1.567 -7.521 -8.251 29 HA PRO 6 HA PRO 6 0.547 -10.209 -0.665 30 HB2 PRO 6 HB2 PRO 6 -1.782 -11.431 0.007 31 HB3 PRO 6 HB3 PRO 6 -1.467 -9.722 0.327 32 HG2 PRO 6 HG2 PRO 6 -3.019 -10.977 -1.904 33 HG3 PRO 6 HG3 PRO 6 -3.414 -9.547 -0.933 34 HD2 PRO 6 HD2 PRO 6 -2.366 -9.372 -3.424 35 HD3 PRO 6 HD3 PRO 6 -2.024 -8.175 -2.158 36 H LYS 7 H LYS 7 1.529 -12.128 -0.452 37 HA LYS 7 HA LYS 7 1.649 -14.012 -2.487 38 HB2 LYS 7 HB2 LYS 7 2.504 -13.909 0.348 39 HB3 LYS 7 HB3 LYS 7 2.392 -15.510 -0.371 40 HG2 LYS 7 HG2 LYS 7 3.971 -14.945 -2.062 41 HG3 LYS 7 HG3 LYS 7 3.950 -13.244 -1.592 42 HD2 LYS 7 HD2 LYS 7 5.939 -14.204 -0.696 43 HD3 LYS 7 HD3 LYS 7 4.826 -13.953 0.651 44 HE2 LYS 7 HE2 LYS 7 4.114 -16.411 0.150 45 HE3 LYS 7 HE3 LYS 7 5.675 -16.499 -0.665 46 HZ1 LYS 7 HZ1 LYS 7 5.082 -16.472 2.139 47 HZ2 LYS 7 HZ2 LYS 7 6.257 -15.330 1.718 48 HZ3 LYS 7 HZ3 LYS 7 6.491 -16.962 1.339 49 H THR 8 H THR 8 -0.448 -13.861 0.329 50 HA THR 8 HA THR 8 -2.209 -15.824 -0.887 51 HB THR 8 HB THR 8 -2.399 -17.105 1.277 52 HG1 THR 8 HG1 THR 8 -1.306 -16.291 2.890 53 HG21 THR 8 HG21 THR 8 -0.497 -18.531 0.825 54 HG22 THR 8 HG22 THR 8 0.309 -17.232 -0.054 55 HG23 THR 8 HG23 THR 8 -1.165 -17.952 -0.700 56 H ILE 9 H ILE 9 -4.333 -15.574 -0.308 57 HA ILE 9 HA ILE 9 -4.906 -13.365 1.556 58 HB ILE 9 HB ILE 9 -7.082 -13.165 0.280 59 HG12 ILE 9 HG12 ILE 9 -5.869 -14.342 -2.122 60 HG13 ILE 9 HG13 ILE 9 -6.286 -15.522 -0.884 61 HG21 ILE 9 HG21 ILE 9 -4.789 -12.627 -1.556 62 HG22 ILE 9 HG22 ILE 9 -6.182 -11.617 -1.174 63 HG23 ILE 9 HG23 ILE 9 -4.880 -11.803 0.001 64 HD11 ILE 9 HD11 ILE 9 -8.037 -15.039 -2.637 65 HD12 ILE 9 HD12 ILE 9 -8.560 -14.939 -0.955 66 HD13 ILE 9 HD13 ILE 9 -8.235 -13.465 -1.867 67 H LYS 10 H LYS 10 -6.064 -13.804 3.314 68 HA LYS 10 HA LYS 10 -6.720 -16.349 4.156 69 HB2 LYS 10 HB2 LYS 10 -7.938 -13.701 4.952 70 HB3 LYS 10 HB3 LYS 10 -8.230 -15.209 5.808 71 HG2 LYS 10 HG2 LYS 10 -5.439 -14.229 5.379 72 HG3 LYS 10 HG3 LYS 10 -6.431 -13.582 6.687 73 HD2 LYS 10 HD2 LYS 10 -6.474 -16.500 6.512 74 HD3 LYS 10 HD3 LYS 10 -4.872 -15.832 6.833 75 HE2 LYS 10 HE2 LYS 10 -7.302 -14.983 8.383 76 HE3 LYS 10 HE3 LYS 10 -6.338 -16.383 8.847 77 HZ1 LYS 10 HZ1 LYS 10 -4.931 -13.866 8.370 78 HZ2 LYS 10 HZ2 LYS 10 -4.600 -15.094 9.485 79 HZ3 LYS 10 HZ3 LYS 10 -5.846 -13.991 9.788 80 H ALA 11 H ALA 11 -8.304 -17.744 3.729 81 HA ALA 11 HA ALA 11 -10.085 -17.479 1.639 82 HB1 ALA 11 HB1 ALA 11 -9.494 -19.629 2.621 83 HB2 ALA 11 HB2 ALA 11 -10.392 -19.219 4.083 84 HB3 ALA 11 HB3 ALA 11 -11.245 -19.428 2.554 85 H ALA 12 H ALA 12 -10.559 -16.718 5.052 86 HA ALA 12 HA ALA 12 -13.294 -16.308 5.107 87 HB1 ALA 12 HB1 ALA 12 -11.624 -14.368 6.596 88 HB2 ALA 12 HB2 ALA 12 -12.971 -15.366 7.146 89 HB3 ALA 12 HB3 ALA 12 -11.372 -16.080 6.939 90 H ALA 13 H ALA 13 -10.749 -14.204 3.901 91 HA ALA 13 HA ALA 13 -12.286 -11.862 3.605 92 HB1 ALA 13 HB1 ALA 13 -9.894 -12.733 1.989 93 HB2 ALA 13 HB2 ALA 13 -10.522 -11.090 2.131 94 HB3 ALA 13 HB3 ALA 13 -9.830 -11.894 3.540 95 H TYR 14 H TYR 14 -11.811 -14.665 1.539 96 HA TYR 14 HA TYR 14 -12.920 -13.637 -0.824 97 HB2 TYR 14 HB2 TYR 14 -11.661 -15.884 -0.348 98 HB3 TYR 14 HB3 TYR 14 -13.279 -16.512 -0.058 99 HD1 TYR 14 HD1 TYR 14 -14.451 -17.396 -1.843 100 HD2 TYR 14 HD2 TYR 14 -11.387 -14.545 -2.610 101 HE1 TYR 14 HE1 TYR 14 -14.763 -17.719 -4.261 102 HE2 TYR 14 HE2 TYR 14 -11.691 -14.860 -5.030 103 HH TYR 14 HH TYR 14 -14.275 -16.144 -6.407 104 H ASN 15 H ASN 15 -14.440 -15.578 1.748 105 HA ASN 15 HA ASN 15 -17.029 -15.572 0.684 106 HB2 ASN 15 HB2 ASN 15 -15.945 -15.920 3.468 107 HB3 ASN 15 HB3 ASN 15 -17.681 -15.912 3.172 108 HD21 ASN 15 HD21 ASN 15 -14.688 -17.438 2.062 109 HD22 ASN 15 HD22 ASN 15 -15.386 -18.990 1.763 110 H GLN 16 H GLN 16 -15.331 -13.237 2.676 111 HA GLN 16 HA GLN 16 -17.642 -11.656 3.263 112 HB2 GLN 16 HB2 GLN 16 -15.617 -11.670 4.690 113 HB3 GLN 16 HB3 GLN 16 -14.719 -10.893 3.393 114 HG2 GLN 16 HG2 GLN 16 -15.495 -9.366 5.204 115 HG3 GLN 16 HG3 GLN 16 -15.997 -8.907 3.578 116 HE21 GLN 16 HE21 GLN 16 -17.288 -11.272 5.879 117 HE22 GLN 16 HE22 GLN 16 -18.881 -10.606 5.936 118 H ALA 17 H ALA 17 -15.169 -11.654 0.775 119 HA ALA 17 HA ALA 17 -15.700 -9.109 -0.313 120 HB1 ALA 17 HB1 ALA 17 -13.687 -10.024 -1.001 121 HB2 ALA 17 HB2 ALA 17 -14.408 -11.592 -1.368 122 HB3 ALA 17 HB3 ALA 17 -14.703 -10.216 -2.430 123 H ARG 18 H ARG 18 -16.859 -12.337 -1.278 124 HA ARG 18 HA ARG 18 -18.579 -11.351 -3.317 125 HB2 ARG 18 HB2 ARG 18 -19.582 -13.675 -3.173 126 HB3 ARG 18 HB3 ARG 18 -17.861 -13.599 -3.526 127 HG2 ARG 18 HG2 ARG 18 -17.439 -14.911 -1.799 128 HG3 ARG 18 HG3 ARG 18 -18.177 -13.735 -0.709 129 HD2 ARG 18 HD2 ARG 18 -19.256 -15.895 -0.475 130 HD3 ARG 18 HD3 ARG 18 -20.379 -14.720 -1.159 131 HE ARG 18 HE ARG 18 -19.003 -16.258 -3.149 132 HH11 ARG 18 HH11 ARG 18 -21.716 -16.203 -0.969 133 HH12 ARG 18 HH12 ARG 18 -22.656 -17.318 -1.903 134 HH21 ARG 18 HH21 ARG 18 -20.231 -17.727 -4.388 135 HH22 ARG 18 HH22 ARG 18 -21.810 -18.186 -3.848 136 H SER 19 H SER 19 -18.972 -12.051 0.095 137 HA SER 19 HA SER 19 -21.752 -12.095 0.268 138 HB2 SER 19 HB2 SER 19 -20.681 -12.727 2.235 139 HB3 SER 19 HB3 SER 19 -19.567 -11.360 2.188 140 HG SER 19 HG SER 19 -20.939 -10.615 3.622 141 H THR 20 H THR 20 -19.534 -9.333 0.595 142 HA THR 20 HA THR 20 -21.456 -7.360 1.046 143 HB THR 20 HB THR 20 -18.844 -6.994 -0.432 144 HG1 THR 20 HG1 THR 20 -18.354 -7.915 1.529 145 HG21 THR 20 HG21 THR 20 -19.279 -4.808 -0.410 146 HG22 THR 20 HG22 THR 20 -19.623 -4.850 1.320 147 HG23 THR 20 HG23 THR 20 -20.906 -5.182 0.157 148 H LEU 21 H LEU 21 -20.063 -8.531 -2.001 149 HA LEU 21 HA LEU 21 -21.396 -6.727 -3.698 150 HB2 LEU 21 HB2 LEU 21 -20.591 -9.542 -4.394 151 HB3 LEU 21 HB3 LEU 21 -20.780 -8.175 -5.491 152 HG LEU 21 HG LEU 21 -18.721 -8.027 -3.337 153 HD11 LEU 21 HD11 LEU 21 -17.596 -9.786 -4.079 154 HD12 LEU 21 HD12 LEU 21 -17.444 -8.984 -5.642 155 HD13 LEU 21 HD13 LEU 21 -18.795 -10.076 -5.340 156 HD21 LEU 21 HD21 LEU 21 -18.959 -6.974 -6.151 157 HD22 LEU 21 HD22 LEU 21 -17.548 -6.751 -5.117 158 HD23 LEU 21 HD23 LEU 21 -19.101 -6.055 -4.653 159 H ALA 22 H ALA 22 -22.398 -9.707 -2.194 160 HA ALA 22 HA ALA 22 -24.543 -10.461 -3.767 161 HB1 ALA 22 HB1 ALA 22 -24.977 -11.926 -2.129 162 HB2 ALA 22 HB2 ALA 22 -23.499 -11.305 -1.394 163 HB3 ALA 22 HB3 ALA 22 -25.066 -10.668 -0.895 164 H ASP 23 H ASP 23 -24.237 -7.751 -1.620 165 HA ASP 23 HA ASP 23 -26.919 -7.174 -1.111 166 HB2 ASP 23 HB2 ASP 23 -24.504 -5.989 -0.516 167 HB3 ASP 23 HB3 ASP 23 -25.260 -4.806 -1.580 168 H ALA 24 H ALA 24 -24.932 -6.538 -3.930 169 HA ALA 24 HA ALA 24 -27.222 -5.228 -5.233 170 HB1 ALA 24 HB1 ALA 24 -24.991 -4.029 -5.084 171 HB2 ALA 24 HB2 ALA 24 -24.392 -5.215 -6.244 172 HB3 ALA 24 HB3 ALA 24 -25.720 -4.142 -6.686 173 H GLY 25 H GLY 25 -25.178 -8.012 -5.276 174 HA2 GLY 25 HA2 GLY 25 -26.370 -9.914 -6.452 175 HA3 GLY 25 HA3 GLY 25 -26.356 -8.849 -7.850 176 H SER 26 H SER 26 -25.186 -11.509 -7.536 177 HA SER 26 HA SER 26 -22.373 -10.811 -8.074 178 HB2 SER 26 HB2 SER 26 -22.308 -13.479 -7.381 179 HB3 SER 26 HB3 SER 26 -21.886 -12.138 -6.317 180 HG SER 26 HG SER 26 -23.409 -13.175 -5.193 181 H ARG 27 H ARG 27 -21.866 -11.102 -10.131 182 HA ARG 27 HA ARG 27 -23.536 -12.627 -11.897 183 HB2 ARG 27 HB2 ARG 27 -21.271 -10.771 -12.145 184 HB3 ARG 27 HB3 ARG 27 -21.294 -12.045 -13.356 185 HG2 ARG 27 HG2 ARG 27 -23.683 -11.395 -13.826 186 HG3 ARG 27 HG3 ARG 27 -23.405 -9.980 -12.809 187 HD2 ARG 27 HD2 ARG 27 -22.777 -9.016 -14.742 188 HD3 ARG 27 HD3 ARG 27 -21.255 -9.853 -14.445 189 HE ARG 27 HE ARG 27 -21.672 -11.110 -16.294 190 HH11 ARG 27 HH11 ARG 27 -24.700 -9.875 -15.102 191 HH12 ARG 27 HH12 ARG 27 -25.631 -10.529 -16.409 192 HH21 ARG 27 HH21 ARG 27 -22.886 -11.976 -18.020 193 HH22 ARG 27 HH22 ARG 27 -24.598 -11.725 -18.068 194 H THR 28 H THR 28 -20.059 -12.847 -11.117 195 HA THR 28 HA THR 28 -19.886 -15.509 -12.187 196 HB THR 28 HB THR 28 -17.576 -15.439 -11.699 197 HG1 THR 28 HG1 THR 28 -18.237 -13.370 -9.858 198 HG21 THR 28 HG21 THR 28 -18.004 -12.512 -12.081 199 HG22 THR 28 HG22 THR 28 -18.621 -13.627 -13.301 200 HG23 THR 28 HG23 THR 28 -16.901 -13.607 -12.913 201 H ALA 29 H ALA 29 -19.850 -14.058 -8.956 202 HA ALA 29 HA ALA 29 -19.320 -16.357 -7.468 203 HB1 ALA 29 HB1 ALA 29 -19.326 -14.790 -5.897 204 HB2 ALA 29 HB2 ALA 29 -20.199 -13.674 -6.947 205 HB3 ALA 29 HB3 ALA 29 -21.089 -14.815 -5.938 206 H ALA 30 H ALA 30 -22.254 -15.264 -9.000 207 HA ALA 30 HA ALA 30 -24.155 -16.753 -7.606 208 HB1 ALA 30 HB1 ALA 30 -25.277 -15.407 -9.009 209 HB2 ALA 30 HB2 ALA 30 -23.999 -15.438 -10.224 210 HB3 ALA 30 HB3 ALA 30 -25.156 -16.765 -10.129 211 H LYS 31 H LYS 31 -22.115 -17.659 -10.355 212 HA LYS 31 HA LYS 31 -23.195 -20.367 -10.331 213 HB2 LYS 31 HB2 LYS 31 -21.335 -18.871 -12.158 214 HB3 LYS 31 HB3 LYS 31 -21.478 -20.621 -12.251 215 HG2 LYS 31 HG2 LYS 31 -23.530 -20.543 -13.185 216 HG3 LYS 31 HG3 LYS 31 -24.007 -19.103 -12.283 217 HD2 LYS 31 HD2 LYS 31 -21.857 -18.576 -14.169 218 HD3 LYS 31 HD3 LYS 31 -23.307 -19.204 -14.955 219 HE2 LYS 31 HE2 LYS 31 -24.646 -17.466 -13.886 220 HE3 LYS 31 HE3 LYS 31 -23.210 -16.850 -13.069 221 HZ1 LYS 31 HZ1 LYS 31 -23.940 -16.685 -15.913 222 HZ2 LYS 31 HZ2 LYS 31 -22.307 -16.657 -15.474 223 HZ3 LYS 31 HZ3 LYS 31 -23.362 -15.474 -14.883 224 H SER 32 H SER 32 -20.411 -18.591 -9.283 225 HA SER 32 HA SER 32 -18.849 -21.003 -8.816 226 HB2 SER 32 HB2 SER 32 -18.307 -18.114 -8.922 227 HB3 SER 32 HB3 SER 32 -17.426 -18.969 -7.656 228 HG SER 32 HG SER 32 -16.142 -19.260 -9.353 229 H HIS 33 H HIS 33 -17.614 -20.853 -6.562 230 HA HIS 33 HA HIS 33 -19.567 -20.287 -4.443 231 HB2 HIS 33 HB2 HIS 33 -18.711 -22.452 -3.343 232 HB3 HIS 33 HB3 HIS 33 -19.854 -22.607 -4.675 233 HD1 HIS 33 HD1 HIS 33 -18.850 -23.394 -6.990 234 HD2 HIS 33 HD2 HIS 33 -16.250 -23.618 -3.757 235 HE1 HIS 33 HE1 HIS 33 -16.959 -24.868 -7.749 236 HA PRO 34 HA PRO 34 -16.229 -18.503 -2.225 237 HB2 PRO 34 HB2 PRO 34 -16.877 -19.113 0.340 238 HB3 PRO 34 HB3 PRO 34 -17.757 -17.913 -0.614 239 HG2 PRO 34 HG2 PRO 34 -18.460 -20.767 -0.048 240 HG3 PRO 34 HG3 PRO 34 -19.505 -19.335 -0.040 241 HD2 PRO 34 HD2 PRO 34 -19.424 -21.068 -2.119 242 HD3 PRO 34 HD3 PRO 34 -19.732 -19.332 -2.333 243 H ILE 35 H ILE 35 -14.852 -19.156 -0.068 244 HA ILE 35 HA ILE 35 -13.732 -21.816 -0.664 245 HB ILE 35 HB ILE 35 -12.284 -19.401 0.428 246 HG12 ILE 35 HG12 ILE 35 -12.111 -20.724 -2.288 247 HG13 ILE 35 HG13 ILE 35 -12.892 -19.183 -1.955 248 HG21 ILE 35 HG21 ILE 35 -10.260 -20.756 0.125 249 HG22 ILE 35 HG22 ILE 35 -11.371 -21.481 1.286 250 HG23 ILE 35 HG23 ILE 35 -11.260 -22.129 -0.350 251 HD11 ILE 35 HD11 ILE 35 -10.391 -18.791 -0.938 252 HD12 ILE 35 HD12 ILE 35 -10.077 -19.815 -2.339 253 HD13 ILE 35 HD13 ILE 35 -10.940 -18.290 -2.538 254 H HIS 36 H HIS 36 -13.820 -23.276 0.905 255 HA HIS 36 HA HIS 36 -13.870 -22.381 3.698 256 HB2 HIS 36 HB2 HIS 36 -16.184 -23.068 2.562 257 HB3 HIS 36 HB3 HIS 36 -15.612 -24.684 2.968 258 HD1 HIS 36 HD1 HIS 36 -15.125 -25.105 5.568 259 HD2 HIS 36 HD2 HIS 36 -17.262 -21.663 4.646 260 HE1 HIS 36 HE1 HIS 36 -16.185 -24.373 7.728 261 H GLY 37 H GLY 37 -13.318 -24.091 5.239 262 HA2 GLY 37 HA2 GLY 37 -11.836 -25.691 5.962 263 HA3 GLY 37 HA3 GLY 37 -12.451 -26.642 4.619 264 H LYS 38 H LYS 38 -10.479 -23.681 4.745 265 HA LYS 38 HA LYS 38 -8.221 -25.127 3.605 266 HB2 LYS 38 HB2 LYS 38 -9.757 -22.970 2.197 267 HB3 LYS 38 HB3 LYS 38 -8.032 -23.152 1.907 268 HG2 LYS 38 HG2 LYS 38 -9.184 -25.720 1.698 269 HG3 LYS 38 HG3 LYS 38 -10.200 -24.607 0.779 270 HD2 LYS 38 HD2 LYS 38 -8.689 -25.027 -0.850 271 HD3 LYS 38 HD3 LYS 38 -7.770 -23.773 -0.015 272 HE2 LYS 38 HE2 LYS 38 -6.506 -25.425 1.187 273 HE3 LYS 38 HE3 LYS 38 -7.515 -26.723 0.550 274 HZ1 LYS 38 HZ1 LYS 38 -5.455 -25.132 -0.823 275 HZ2 LYS 38 HZ2 LYS 38 -6.709 -25.826 -1.721 276 HZ3 LYS 38 HZ3 LYS 38 -5.678 -26.809 -0.808 277 H THR 39 H THR 39 -6.292 -24.330 4.246 278 HA THR 39 HA THR 39 -6.138 -22.537 6.386 279 HB THR 39 HB THR 39 -3.761 -22.903 4.614 280 HG1 THR 39 HG1 THR 39 -3.878 -25.004 4.742 281 HG21 THR 39 HG21 THR 39 -4.062 -21.827 7.068 282 HG22 THR 39 HG22 THR 39 -2.573 -22.597 6.520 283 HG23 THR 39 HG23 THR 39 -3.721 -23.500 7.507 284 H ASP 40 H ASP 40 -5.413 -22.053 2.941 285 HA ASP 40 HA ASP 40 -6.306 -19.406 2.868 286 HB2 ASP 40 HB2 ASP 40 -4.003 -18.320 2.551 287 HB3 ASP 40 HB3 ASP 40 -4.503 -18.685 4.200 288 H VAL 41 H VAL 41 -6.172 -18.494 0.793 289 HA VAL 41 HA VAL 41 -5.163 -20.342 -1.271 290 HB VAL 41 HB VAL 41 -6.858 -19.145 -2.767 291 HG11 VAL 41 HG11 VAL 41 -8.372 -20.608 -0.689 292 HG12 VAL 41 HG12 VAL 41 -8.309 -20.855 -2.435 293 HG13 VAL 41 HG13 VAL 41 -6.999 -21.446 -1.413 294 HG21 VAL 41 HG21 VAL 41 -8.411 -17.738 -1.918 295 HG22 VAL 41 HG22 VAL 41 -8.476 -18.570 -0.364 296 HG23 VAL 41 HG23 VAL 41 -7.161 -17.446 -0.708 297 HA PRO 42 HA PRO 42 -2.490 -17.236 -2.845 298 HB2 PRO 42 HB2 PRO 42 -2.581 -17.747 -5.510 299 HB3 PRO 42 HB3 PRO 42 -1.752 -18.800 -4.357 300 HG2 PRO 42 HG2 PRO 42 -4.469 -19.096 -5.577 301 HG3 PRO 42 HG3 PRO 42 -3.220 -20.327 -5.317 302 HD2 PRO 42 HD2 PRO 42 -5.354 -20.048 -3.674 303 HD3 PRO 42 HD3 PRO 42 -3.767 -20.594 -3.094 304 H VAL 43 H VAL 43 -2.402 -15.256 -3.988 305 HA VAL 43 HA VAL 43 -4.656 -13.669 -3.940 306 HB VAL 43 HB VAL 43 -2.486 -12.652 -4.031 307 HG11 VAL 43 HG11 VAL 43 -2.049 -14.501 -6.148 308 HG12 VAL 43 HG12 VAL 43 -1.746 -12.872 -6.756 309 HG13 VAL 43 HG13 VAL 43 -0.882 -13.460 -5.334 310 HG21 VAL 43 HG21 VAL 43 -4.636 -11.724 -5.373 311 HG22 VAL 43 HG22 VAL 43 -3.129 -10.826 -5.191 312 HG23 VAL 43 HG23 VAL 43 -3.437 -11.741 -6.666 313 H SER 44 H SER 44 -3.495 -15.762 -6.485 314 HA SER 44 HA SER 44 -4.902 -14.771 -8.666 315 HB2 SER 44 HB2 SER 44 -3.417 -17.117 -8.050 316 HB3 SER 44 HB3 SER 44 -4.939 -17.628 -8.779 317 HG SER 44 HG SER 44 -4.138 -17.029 -10.613 318 H TYR 45 H TYR 45 -5.985 -16.751 -5.988 319 HA TYR 45 HA TYR 45 -8.505 -17.446 -7.130 320 HB2 TYR 45 HB2 TYR 45 -7.166 -18.510 -5.123 321 HB3 TYR 45 HB3 TYR 45 -8.085 -17.349 -4.170 322 HD1 TYR 45 HD1 TYR 45 -8.049 -20.630 -5.005 323 HD2 TYR 45 HD2 TYR 45 -10.713 -17.315 -5.142 324 HE1 TYR 45 HE1 TYR 45 -9.963 -22.174 -4.981 325 HE2 TYR 45 HE2 TYR 45 -12.634 -18.850 -5.117 326 HH TYR 45 HH TYR 45 -13.115 -21.205 -5.712 327 H GLY 46 H GLY 46 -7.496 -15.047 -4.699 328 HA2 GLY 46 HA2 GLY 46 -10.068 -13.942 -4.304 329 HA3 GLY 46 HA3 GLY 46 -8.543 -13.165 -3.904 330 H THR 47 H THR 47 -7.441 -13.089 -6.510 331 HA THR 47 HA THR 47 -8.441 -10.665 -7.451 332 HB THR 47 HB THR 47 -7.150 -11.185 -9.560 333 HG1 THR 47 HG1 THR 47 -6.859 -13.267 -9.846 334 HG21 THR 47 HG21 THR 47 -4.918 -11.415 -8.247 335 HG22 THR 47 HG22 THR 47 -5.947 -11.299 -6.819 336 HG23 THR 47 HG23 THR 47 -5.920 -9.987 -7.996 337 H SER 48 H SER 48 -9.252 -13.965 -8.332 338 HA SER 48 HA SER 48 -10.658 -13.469 -10.698 339 HB2 SER 48 HB2 SER 48 -10.091 -15.700 -9.147 340 HB3 SER 48 HB3 SER 48 -11.849 -15.586 -9.080 341 HG SER 48 HG SER 48 -10.227 -16.290 -11.156 342 H LEU 49 H LEU 49 -11.741 -13.462 -7.327 343 HA LEU 49 HA LEU 49 -14.472 -12.911 -7.982 344 HB2 LEU 49 HB2 LEU 49 -13.870 -14.062 -5.926 345 HB3 LEU 49 HB3 LEU 49 -12.970 -12.648 -5.381 346 HG LEU 49 HG LEU 49 -14.921 -11.429 -4.947 347 HD11 LEU 49 HD11 LEU 49 -16.366 -11.561 -6.690 348 HD12 LEU 49 HD12 LEU 49 -17.179 -12.680 -5.597 349 HD13 LEU 49 HD13 LEU 49 -16.149 -13.300 -6.887 350 HD21 LEU 49 HD21 LEU 49 -16.041 -14.069 -4.203 351 HD22 LEU 49 HD22 LEU 49 -15.801 -12.621 -3.226 352 HD23 LEU 49 HD23 LEU 49 -14.433 -13.672 -3.596 353 H LEU 50 H LEU 50 -11.659 -10.994 -7.117 354 HA LEU 50 HA LEU 50 -12.982 -8.553 -6.643 355 HB2 LEU 50 HB2 LEU 50 -10.390 -9.458 -6.520 356 HB3 LEU 50 HB3 LEU 50 -10.340 -8.311 -7.858 357 HG LEU 50 HG LEU 50 -11.165 -7.740 -5.014 358 HD11 LEU 50 HD11 LEU 50 -9.170 -6.023 -5.630 359 HD12 LEU 50 HD12 LEU 50 -8.686 -7.439 -6.563 360 HD13 LEU 50 HD13 LEU 50 -8.933 -7.573 -4.822 361 HD21 LEU 50 HD21 LEU 50 -12.420 -6.118 -5.895 362 HD22 LEU 50 HD22 LEU 50 -11.735 -6.343 -7.505 363 HD23 LEU 50 HD23 LEU 50 -10.898 -5.336 -6.322 364 H ALA 51 H ALA 51 -11.377 -9.797 -9.568 365 HA ALA 51 HA ALA 51 -12.110 -7.578 -11.189 366 HB1 ALA 51 HB1 ALA 51 -10.494 -8.514 -12.393 367 HB2 ALA 51 HB2 ALA 51 -10.624 -10.030 -11.500 368 HB3 ALA 51 HB3 ALA 51 -11.663 -9.736 -12.894 369 H ALA 52 H ALA 52 -13.590 -10.673 -10.462 370 HA ALA 52 HA ALA 52 -15.468 -10.807 -12.520 371 HB1 ALA 52 HB1 ALA 52 -15.545 -12.757 -11.401 372 HB2 ALA 52 HB2 ALA 52 -15.162 -12.005 -9.852 373 HB3 ALA 52 HB3 ALA 52 -16.812 -11.953 -10.473 374 H ALA 53 H ALA 53 -15.745 -9.321 -9.301 375 HA ALA 53 HA ALA 53 -18.398 -8.370 -9.722 376 HB1 ALA 53 HB1 ALA 53 -16.387 -8.231 -7.609 377 HB2 ALA 53 HB2 ALA 53 -17.389 -6.785 -7.732 378 HB3 ALA 53 HB3 ALA 53 -18.142 -8.362 -7.500 379 H ARG 54 H ARG 54 -15.183 -6.923 -10.004 380 HA ARG 54 HA ARG 54 -15.922 -4.273 -10.420 381 HB2 ARG 54 HB2 ARG 54 -13.638 -4.606 -10.117 382 HB3 ARG 54 HB3 ARG 54 -13.574 -5.923 -11.281 383 HG2 ARG 54 HG2 ARG 54 -13.399 -4.521 -13.072 384 HG3 ARG 54 HG3 ARG 54 -14.264 -3.209 -12.269 385 HD2 ARG 54 HD2 ARG 54 -12.366 -2.303 -11.540 386 HD3 ARG 54 HD3 ARG 54 -11.810 -3.843 -10.887 387 HE ARG 54 HE ARG 54 -11.486 -3.902 -13.662 388 HH11 ARG 54 HH11 ARG 54 -10.214 -2.231 -10.886 389 HH12 ARG 54 HH12 ARG 54 -8.658 -1.962 -11.598 390 HH21 ARG 54 HH21 ARG 54 -9.441 -3.554 -14.611 391 HH22 ARG 54 HH22 ARG 54 -8.220 -2.714 -13.717 392 H ASP 55 H ASP 55 -15.285 -6.783 -12.872 393 HA ASP 55 HA ASP 55 -16.014 -5.220 -15.091 394 HB2 ASP 55 HB2 ASP 55 -14.792 -7.541 -14.928 395 HB3 ASP 55 HB3 ASP 55 -16.423 -8.187 -15.088 396 H GLU 56 H GLU 56 -17.886 -7.422 -13.052 397 HA GLU 56 HA GLU 56 -20.258 -7.429 -14.530 398 HB2 GLU 56 HB2 GLU 56 -20.005 -9.014 -12.770 399 HB3 GLU 56 HB3 GLU 56 -19.737 -7.750 -11.578 400 HG2 GLU 56 HG2 GLU 56 -22.322 -7.830 -13.051 401 HG3 GLU 56 HG3 GLU 56 -22.036 -8.973 -11.740 402 H PHE 57 H PHE 57 -19.252 -5.309 -11.859 403 HA PHE 57 HA PHE 57 -21.578 -3.752 -11.753 404 HB2 PHE 57 HB2 PHE 57 -18.720 -3.091 -11.030 405 HB3 PHE 57 HB3 PHE 57 -20.079 -2.027 -10.683 406 HD1 PHE 57 HD1 PHE 57 -17.990 -3.707 -8.906 407 HD2 PHE 57 HD2 PHE 57 -22.117 -4.041 -9.893 408 HE1 PHE 57 HE1 PHE 57 -18.392 -4.917 -6.802 409 HE2 PHE 57 HE2 PHE 57 -22.525 -5.251 -7.789 410 HZ PHE 57 HZ PHE 57 -20.662 -5.689 -6.240 411 H ARG 58 H ARG 58 -18.774 -3.594 -13.836 412 HA ARG 58 HA ARG 58 -19.060 -1.018 -14.859 413 HB2 ARG 58 HB2 ARG 58 -17.131 -2.572 -15.256 414 HB3 ARG 58 HB3 ARG 58 -18.139 -3.444 -16.404 415 HG2 ARG 58 HG2 ARG 58 -18.377 -0.919 -17.343 416 HG3 ARG 58 HG3 ARG 58 -16.741 -0.880 -16.681 417 HD2 ARG 58 HD2 ARG 58 -17.731 -3.029 -18.544 418 HD3 ARG 58 HD3 ARG 58 -16.921 -1.563 -19.097 419 HE ARG 58 HE ARG 58 -15.328 -2.795 -17.145 420 HH11 ARG 58 HH11 ARG 58 -16.438 -3.313 -20.404 421 HH12 ARG 58 HH12 ARG 58 -15.048 -4.235 -20.870 422 HH21 ARG 58 HH21 ARG 58 -13.493 -4.008 -17.747 423 HH22 ARG 58 HH22 ARG 58 -13.373 -4.631 -19.357 424 H GLN 59 H GLN 59 -20.744 -3.991 -15.645 425 HA GLN 59 HA GLN 59 -22.018 -2.972 -17.992 426 HB2 GLN 59 HB2 GLN 59 -21.699 -5.361 -17.730 427 HB3 GLN 59 HB3 GLN 59 -22.653 -5.360 -16.252 428 HG2 GLN 59 HG2 GLN 59 -24.240 -4.224 -18.301 429 HG3 GLN 59 HG3 GLN 59 -23.517 -5.703 -18.932 430 HE21 GLN 59 HE21 GLN 59 -24.858 -4.636 -15.820 431 HE22 GLN 59 HE22 GLN 59 -25.888 -6.006 -15.602 432 H ALA 60 H ALA 60 -22.830 -3.153 -14.583 433 HA ALA 60 HA ALA 60 -25.558 -2.551 -14.734 434 HB1 ALA 60 HB1 ALA 60 -23.672 -1.709 -12.539 435 HB2 ALA 60 HB2 ALA 60 -25.416 -1.949 -12.418 436 HB3 ALA 60 HB3 ALA 60 -24.353 -3.328 -12.700 437 H ASP 61 H ASP 61 -22.756 -0.387 -14.399 438 HA ASP 61 HA ASP 61 -24.494 1.929 -14.797 439 HB2 ASP 61 HB2 ASP 61 -21.525 2.084 -14.375 440 HB3 ASP 61 HB3 ASP 61 -22.768 3.257 -13.946 441 H LYS 62 H LYS 62 -24.074 0.121 -16.984 442 HA LYS 62 HA LYS 62 -22.155 1.289 -18.777 443 HB2 LYS 62 HB2 LYS 62 -22.993 -1.141 -18.753 444 HB3 LYS 62 HB3 LYS 62 -24.421 -0.526 -19.576 445 HG2 LYS 62 HG2 LYS 62 -21.901 0.327 -20.785 446 HG3 LYS 62 HG3 LYS 62 -22.154 -1.420 -20.797 447 HD2 LYS 62 HD2 LYS 62 -24.468 -0.927 -21.725 448 HD3 LYS 62 HD3 LYS 62 -23.902 0.726 -21.978 449 HE2 LYS 62 HE2 LYS 62 -22.442 -1.672 -23.056 450 HE3 LYS 62 HE3 LYS 62 -23.725 -0.863 -23.953 451 HZ1 LYS 62 HZ1 LYS 62 -21.153 -0.199 -24.125 452 HZ2 LYS 62 HZ2 LYS 62 -21.645 0.866 -22.908 453 HZ3 LYS 62 HZ3 LYS 62 -22.417 0.888 -24.413 454 H LYS 63 H LYS 63 -25.555 1.666 -18.106 455 HA LYS 63 HA LYS 63 -26.216 3.068 -20.497 456 HB2 LYS 63 HB2 LYS 63 -27.985 2.013 -19.279 457 HB3 LYS 63 HB3 LYS 63 -27.567 2.876 -17.805 458 HG2 LYS 63 HG2 LYS 63 -28.202 4.622 -20.061 459 HG3 LYS 63 HG3 LYS 63 -29.536 3.589 -19.545 460 HD2 LYS 63 HD2 LYS 63 -29.905 4.906 -17.792 461 HD3 LYS 63 HD3 LYS 63 -28.249 4.659 -17.233 462 HE2 LYS 63 HE2 LYS 63 -27.488 6.589 -18.210 463 HE3 LYS 63 HE3 LYS 63 -28.728 6.572 -19.462 464 HZ1 LYS 63 HZ1 LYS 63 -30.134 7.737 -18.193 465 HZ2 LYS 63 HZ2 LYS 63 -28.759 8.174 -17.311 466 HZ3 LYS 63 HZ3 LYS 63 -29.738 6.902 -16.776 467 H LEU 64 H LEU 64 -24.704 3.951 -17.531 468 HA LEU 64 HA LEU 64 -25.225 6.786 -17.851 469 HB2 LEU 64 HB2 LEU 64 -23.216 5.671 -15.945 470 HB3 LEU 64 HB3 LEU 64 -24.251 7.087 -15.776 471 HG LEU 64 HG LEU 64 -25.206 4.229 -15.626 472 HD11 LEU 64 HD11 LEU 64 -25.185 4.377 -13.306 473 HD12 LEU 64 HD12 LEU 64 -25.007 6.131 -13.321 474 HD13 LEU 64 HD13 LEU 64 -23.648 5.103 -13.776 475 HD21 LEU 64 HD21 LEU 64 -26.650 6.469 -16.222 476 HD22 LEU 64 HD22 LEU 64 -26.813 6.381 -14.468 477 HD23 LEU 64 HD23 LEU 64 -27.298 5.012 -15.468 478 HA PRO 65 HA PRO 65 -21.655 7.813 -20.191 479 HB2 PRO 65 HB2 PRO 65 -21.076 10.274 -19.203 480 HB3 PRO 65 HB3 PRO 65 -22.464 9.962 -20.253 481 HG2 PRO 65 HG2 PRO 65 -22.365 10.225 -17.273 482 HG3 PRO 65 HG3 PRO 65 -23.546 10.890 -18.416 483 HD2 PRO 65 HD2 PRO 65 -24.027 8.660 -16.958 484 HD3 PRO 65 HD3 PRO 65 -24.692 8.897 -18.587 485 H ALA 66 H ALA 66 -19.420 7.829 -20.118 486 HA ALA 66 HA ALA 66 -18.130 6.570 -18.015 487 HB1 ALA 66 HB1 ALA 66 -17.123 8.227 -20.299 488 HB2 ALA 66 HB2 ALA 66 -16.015 7.556 -19.101 489 HB3 ALA 66 HB3 ALA 66 -17.030 6.482 -20.064 490 H LYS 67 H LYS 67 -18.715 9.975 -18.559 491 HA LYS 67 HA LYS 67 -16.880 10.974 -16.645 492 HB2 LYS 67 HB2 LYS 67 -17.943 13.076 -16.936 493 HB3 LYS 67 HB3 LYS 67 -17.991 12.283 -18.505 494 HG2 LYS 67 HG2 LYS 67 -20.351 11.478 -17.610 495 HG3 LYS 67 HG3 LYS 67 -20.197 12.945 -16.640 496 HD2 LYS 67 HD2 LYS 67 -19.868 12.850 -19.636 497 HD3 LYS 67 HD3 LYS 67 -21.372 13.276 -18.816 498 HE2 LYS 67 HE2 LYS 67 -20.665 15.353 -18.424 499 HE3 LYS 67 HE3 LYS 67 -19.126 14.782 -17.784 500 HZ1 LYS 67 HZ1 LYS 67 -19.767 15.786 -20.409 501 HZ2 LYS 67 HZ2 LYS 67 -18.839 14.372 -20.428 502 HZ3 LYS 67 HZ3 LYS 67 -18.280 15.738 -19.601 503 H ASP 68 H ASP 68 -20.105 9.688 -16.435 504 HA ASP 68 HA ASP 68 -20.398 10.576 -13.669 505 HB2 ASP 68 HB2 ASP 68 -22.294 10.638 -15.383 506 HB3 ASP 68 HB3 ASP 68 -22.350 8.885 -15.225 507 H LYS 69 H LYS 69 -18.339 8.655 -14.374 508 HA LYS 69 HA LYS 69 -18.897 6.700 -12.349 509 HB2 LYS 69 HB2 LYS 69 -18.608 4.720 -13.743 510 HB3 LYS 69 HB3 LYS 69 -20.001 5.651 -14.278 511 HG2 LYS 69 HG2 LYS 69 -18.798 6.509 -16.152 512 HG3 LYS 69 HG3 LYS 69 -17.285 5.817 -15.562 513 HD2 LYS 69 HD2 LYS 69 -17.796 4.142 -16.983 514 HD3 LYS 69 HD3 LYS 69 -18.837 3.604 -15.662 515 HE2 LYS 69 HE2 LYS 69 -20.759 4.471 -16.671 516 HE3 LYS 69 HE3 LYS 69 -19.833 5.519 -17.745 517 HZ1 LYS 69 HZ1 LYS 69 -19.597 2.586 -17.943 518 HZ2 LYS 69 HZ2 LYS 69 -19.278 3.759 -19.118 519 HZ3 LYS 69 HZ3 LYS 69 -20.876 3.396 -18.698 520 H LYS 70 H LYS 70 -17.052 5.937 -11.432 521 HA LYS 70 HA LYS 70 -14.579 7.175 -12.219 522 HB2 LYS 70 HB2 LYS 70 -14.994 6.985 -9.874 523 HB3 LYS 70 HB3 LYS 70 -15.312 5.260 -10.005 524 HG2 LYS 70 HG2 LYS 70 -13.138 5.670 -9.013 525 HG3 LYS 70 HG3 LYS 70 -12.971 4.867 -10.576 526 HD2 LYS 70 HD2 LYS 70 -11.322 6.596 -10.456 527 HD3 LYS 70 HD3 LYS 70 -12.565 7.112 -11.598 528 HE2 LYS 70 HE2 LYS 70 -13.024 8.919 -10.382 529 HE3 LYS 70 HE3 LYS 70 -13.217 7.954 -8.919 530 HZ1 LYS 70 HZ1 LYS 70 -10.541 7.988 -9.259 531 HZ2 LYS 70 HZ2 LYS 70 -11.399 9.024 -8.235 532 HZ3 LYS 70 HZ3 LYS 70 -10.975 9.534 -9.791 533 H SER 71 H SER 71 -13.309 6.392 -13.755 534 HA SER 71 HA SER 71 -12.063 4.946 -15.000 535 HB2 SER 71 HB2 SER 71 -12.416 3.579 -12.508 536 HB3 SER 71 HB3 SER 71 -12.536 2.407 -13.820 537 HG SER 71 HG SER 71 -10.437 2.503 -13.787 538 H ASP 72 H ASP 72 -14.597 2.715 -13.893 539 HA ASP 72 HA ASP 72 -16.039 2.895 -16.377 540 HB2 ASP 72 HB2 ASP 72 -13.904 1.199 -16.448 541 HB3 ASP 72 HB3 ASP 72 -15.185 0.113 -15.915 542 H MET 73 H MET 73 -16.397 3.051 -13.407 543 HA MET 73 HA MET 73 -18.850 1.510 -13.310 544 HB2 MET 73 HB2 MET 73 -18.298 0.520 -11.096 545 HB3 MET 73 HB3 MET 73 -17.310 -0.111 -12.407 546 HG2 MET 73 HG2 MET 73 -15.765 1.935 -11.547 547 HG3 MET 73 HG3 MET 73 -16.549 1.451 -10.045 548 HE1 MET 73 HE1 MET 73 -17.040 -1.203 -9.845 549 HE2 MET 73 HE2 MET 73 -16.661 -2.000 -11.372 550 HE3 MET 73 HE3 MET 73 -15.708 -2.357 -9.931 551 H SER 74 H SER 74 -20.363 2.326 -11.861 552 HA SER 74 HA SER 74 -20.166 5.072 -11.264 553 HB2 SER 74 HB2 SER 74 -22.318 4.792 -10.127 554 HB3 SER 74 HB3 SER 74 -22.315 3.924 -11.662 555 HG SER 74 HG SER 74 -21.490 2.144 -10.051 556 H ILE 75 H ILE 75 -20.546 5.988 -9.046 557 HA ILE 75 HA ILE 75 -18.415 5.251 -7.338 558 HB ILE 75 HB ILE 75 -20.775 7.046 -6.762 559 HG12 ILE 75 HG12 ILE 75 -18.636 8.685 -7.094 560 HG13 ILE 75 HG13 ILE 75 -18.232 7.400 -8.228 561 HG21 ILE 75 HG21 ILE 75 -19.946 6.653 -4.660 562 HG22 ILE 75 HG22 ILE 75 -18.302 6.386 -5.240 563 HG23 ILE 75 HG23 ILE 75 -18.950 8.023 -5.151 564 HD11 ILE 75 HD11 ILE 75 -20.957 8.603 -8.279 565 HD12 ILE 75 HD12 ILE 75 -19.601 9.456 -9.017 566 HD13 ILE 75 HD13 ILE 75 -20.038 7.841 -9.576 567 H ALA 76 H ALA 76 -21.858 4.566 -7.320 568 HA ALA 76 HA ALA 76 -22.070 3.557 -4.706 569 HB1 ALA 76 HB1 ALA 76 -24.070 2.321 -5.633 570 HB2 ALA 76 HB2 ALA 76 -24.072 4.072 -5.851 571 HB3 ALA 76 HB3 ALA 76 -23.658 3.016 -7.202 572 H HIS 77 H HIS 77 -21.478 1.885 -7.791 573 HA HIS 77 HA HIS 77 -21.143 -0.669 -6.531 574 HB2 HIS 77 HB2 HIS 77 -20.592 0.312 -9.333 575 HB3 HIS 77 HB3 HIS 77 -20.329 -1.353 -8.825 576 HD1 HIS 77 HD1 HIS 77 -22.806 0.737 -10.333 577 HD2 HIS 77 HD2 HIS 77 -22.881 -2.511 -7.743 578 HE1 HIS 77 HE1 HIS 77 -25.141 -0.185 -10.479 579 H TYR 78 H TYR 78 -19.016 1.878 -7.695 580 HA TYR 78 HA TYR 78 -16.580 0.543 -7.637 581 HB2 TYR 78 HB2 TYR 78 -16.874 2.814 -8.542 582 HB3 TYR 78 HB3 TYR 78 -17.121 3.431 -6.913 583 HD1 TYR 78 HD1 TYR 78 -14.694 2.466 -9.404 584 HD2 TYR 78 HD2 TYR 78 -15.222 3.365 -5.279 585 HE1 TYR 78 HE1 TYR 78 -12.269 2.811 -9.175 586 HE2 TYR 78 HE2 TYR 78 -12.800 3.714 -5.038 587 HH TYR 78 HH TYR 78 -10.568 2.683 -7.235 588 H ASN 79 H ASN 79 -18.449 1.962 -5.021 589 HA ASN 79 HA ASN 79 -16.414 1.713 -3.041 590 HB2 ASN 79 HB2 ASN 79 -19.338 2.319 -3.035 591 HB3 ASN 79 HB3 ASN 79 -18.579 1.847 -1.518 592 HD21 ASN 79 HD21 ASN 79 -19.692 4.424 -2.725 593 HD22 ASN 79 HD22 ASN 79 -18.466 5.592 -2.379 594 H ALA 80 H ALA 80 -18.978 -0.359 -4.223 595 HA ALA 80 HA ALA 80 -18.855 -2.266 -2.113 596 HB1 ALA 80 HB1 ALA 80 -20.846 -2.175 -3.406 597 HB2 ALA 80 HB2 ALA 80 -19.957 -2.416 -4.911 598 HB3 ALA 80 HB3 ALA 80 -20.085 -3.731 -3.742 599 H VAL 81 H VAL 81 -17.593 -2.299 -5.449 600 HA VAL 81 HA VAL 81 -16.260 -4.752 -5.287 601 HB VAL 81 HB VAL 81 -16.696 -3.515 -7.401 602 HG11 VAL 81 HG11 VAL 81 -16.008 -1.290 -6.596 603 HG12 VAL 81 HG12 VAL 81 -14.330 -1.837 -6.571 604 HG13 VAL 81 HG13 VAL 81 -15.205 -1.740 -8.100 605 HG21 VAL 81 HG21 VAL 81 -14.818 -4.356 -8.530 606 HG22 VAL 81 HG22 VAL 81 -13.758 -4.090 -7.146 607 HG23 VAL 81 HG23 VAL 81 -14.969 -5.371 -7.096 608 H HIS 82 H HIS 82 -15.253 -1.507 -4.377 609 HA HIS 82 HA HIS 82 -12.518 -2.131 -3.938 610 HB2 HIS 82 HB2 HIS 82 -13.259 0.171 -4.283 611 HB3 HIS 82 HB3 HIS 82 -14.217 0.102 -2.807 612 HD1 HIS 82 HD1 HIS 82 -13.061 0.718 -0.674 613 HD2 HIS 82 HD2 HIS 82 -10.398 0.084 -3.799 614 HE1 HIS 82 HE1 HIS 82 -10.814 1.429 0.203 615 H SER 83 H SER 83 -15.406 -2.371 -1.993 616 HA SER 83 HA SER 83 -14.248 -2.571 0.548 617 HB2 SER 83 HB2 SER 83 -16.739 -2.388 -0.107 618 HB3 SER 83 HB3 SER 83 -16.686 -4.144 -0.264 619 HG SER 83 HG SER 83 -17.002 -4.141 1.809 620 H ALA 84 H ALA 84 -14.832 -5.011 -1.935 621 HA ALA 84 HA ALA 84 -14.020 -7.228 -0.342 622 HB1 ALA 84 HB1 ALA 84 -15.409 -7.768 -2.142 623 HB2 ALA 84 HB2 ALA 84 -14.442 -6.836 -3.286 624 HB3 ALA 84 HB3 ALA 84 -13.819 -8.351 -2.633 625 H ALA 85 H ALA 85 -12.397 -5.295 -2.845 626 HA ALA 85 HA ALA 85 -9.982 -6.671 -2.934 627 HB1 ALA 85 HB1 ALA 85 -9.091 -4.819 -4.051 628 HB2 ALA 85 HB2 ALA 85 -10.814 -4.763 -4.422 629 HB3 ALA 85 HB3 ALA 85 -10.140 -3.686 -3.199 630 H LYS 86 H LYS 86 -11.128 -4.245 -0.665 631 HA LYS 86 HA LYS 86 -8.659 -3.732 0.608 632 HB2 LYS 86 HB2 LYS 86 -10.880 -2.426 0.757 633 HB3 LYS 86 HB3 LYS 86 -11.324 -3.591 1.997 634 HG2 LYS 86 HG2 LYS 86 -8.998 -2.899 3.011 635 HG3 LYS 86 HG3 LYS 86 -9.275 -1.440 2.057 636 HD2 LYS 86 HD2 LYS 86 -11.480 -1.192 3.155 637 HD3 LYS 86 HD3 LYS 86 -11.108 -2.594 4.160 638 HE2 LYS 86 HE2 LYS 86 -9.243 -1.445 5.156 639 HE3 LYS 86 HE3 LYS 86 -9.439 -0.085 4.053 640 HZ1 LYS 86 HZ1 LYS 86 -10.971 -0.784 6.432 641 HZ2 LYS 86 HZ2 LYS 86 -11.840 -0.120 5.141 642 HZ3 LYS 86 HZ3 LYS 86 -10.551 0.738 5.824 643 H THR 87 H THR 87 -11.171 -6.142 1.136 644 HA THR 87 HA THR 87 -10.065 -7.154 3.567 645 HB THR 87 HB THR 87 -11.897 -8.665 1.708 646 HG1 THR 87 HG1 THR 87 -13.221 -7.040 2.047 647 HG21 THR 87 HG21 THR 87 -12.544 -9.887 3.600 648 HG22 THR 87 HG22 THR 87 -11.866 -8.698 4.712 649 HG23 THR 87 HG23 THR 87 -10.796 -9.734 3.768 650 H MET 88 H MET 88 -9.740 -7.955 0.159 651 HA MET 88 HA MET 88 -8.211 -10.345 0.675 652 HB2 MET 88 HB2 MET 88 -8.875 -8.820 -1.839 653 HB3 MET 88 HB3 MET 88 -7.829 -10.233 -1.839 654 HG2 MET 88 HG2 MET 88 -9.631 -11.596 -0.958 655 HG3 MET 88 HG3 MET 88 -10.681 -10.184 -0.884 656 HE1 MET 88 HE1 MET 88 -12.074 -9.757 -4.302 657 HE2 MET 88 HE2 MET 88 -12.357 -9.735 -2.561 658 HE3 MET 88 HE3 MET 88 -11.123 -8.691 -3.267 659 H GLY 89 H GLY 89 -7.576 -6.985 0.312 660 HA2 GLY 89 HA2 GLY 89 -5.598 -5.837 0.650 661 HA3 GLY 89 HA3 GLY 89 -4.791 -7.379 0.891 662 H ILE 90 H ILE 90 -6.657 -6.706 -1.979 663 HA ILE 90 HA ILE 90 -4.164 -6.787 -3.536 664 HB ILE 90 HB ILE 90 -6.981 -7.351 -4.469 665 HG12 ILE 90 HG12 ILE 90 -4.741 -9.333 -4.064 666 HG13 ILE 90 HG13 ILE 90 -5.951 -9.002 -2.830 667 HG21 ILE 90 HG21 ILE 90 -6.024 -6.853 -6.448 668 HG22 ILE 90 HG22 ILE 90 -4.388 -7.090 -5.837 669 HG23 ILE 90 HG23 ILE 90 -5.365 -8.482 -6.304 670 HD11 ILE 90 HD11 ILE 90 -7.682 -9.882 -4.155 671 HD12 ILE 90 HD12 ILE 90 -6.673 -9.893 -5.602 672 HD13 ILE 90 HD13 ILE 90 -6.342 -11.021 -4.287 673 H ASP 91 H ASP 91 -3.669 -5.218 -4.999 674 HA ASP 91 HA ASP 91 -5.606 -3.105 -5.545 675 HB2 ASP 91 HB2 ASP 91 -4.129 -2.557 -3.487 676 HB3 ASP 91 HB3 ASP 91 -2.837 -2.333 -4.663 677 H THR 92 H THR 92 -4.472 -5.202 -7.152 678 HA THR 92 HA THR 92 -3.620 -3.624 -9.388 679 HB THR 92 HB THR 92 -1.622 -5.726 -8.996 680 HG1 THR 92 HG1 THR 92 -1.242 -5.188 -6.972 681 HG21 THR 92 HG21 THR 92 -0.126 -4.029 -9.815 682 HG22 THR 92 HG22 THR 92 -1.320 -2.768 -9.513 683 HG23 THR 92 HG23 THR 92 -1.607 -3.971 -10.769 684 H TRP 93 H TRP 93 -5.765 -5.441 -8.753 685 HA TRP 93 HA TRP 93 -5.229 -7.892 -10.194 686 HB2 TRP 93 HB2 TRP 93 -7.372 -8.595 -9.533 687 HB3 TRP 93 HB3 TRP 93 -6.805 -7.620 -8.180 688 HD1 TRP 93 HD1 TRP 93 -9.489 -7.756 -10.847 689 HE1 TRP 93 HE1 TRP 93 -11.186 -5.864 -10.437 690 HE3 TRP 93 HE3 TRP 93 -6.968 -5.174 -7.226 691 HZ2 TRP 93 HZ2 TRP 93 -11.424 -3.580 -8.796 692 HZ3 TRP 93 HZ3 TRP 93 -7.999 -3.146 -6.289 693 HH2 TRP 93 HH2 TRP 93 -10.181 -2.367 -7.059 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -0.172 4.880 -6.967 2 HA2 GLY 1 HA2 GLY 1 -1.447 2.427 -7.883 3 HA3 GLY 1 HA3 GLY 1 -0.078 3.234 -8.633 4 H ALA 2 H ALA 2 -0.756 0.407 -7.520 5 HA ALA 2 HA ALA 2 1.787 0.077 -6.066 6 HB1 ALA 2 HB1 ALA 2 -0.210 -2.030 -5.674 7 HB2 ALA 2 HB2 ALA 2 0.819 -1.205 -4.502 8 HB3 ALA 2 HB3 ALA 2 -0.681 -0.451 -5.043 9 H MET 3 H MET 3 2.186 -2.544 -6.108 10 HA MET 3 HA MET 3 1.619 -3.850 -8.556 11 HB2 MET 3 HB2 MET 3 3.969 -3.818 -9.450 12 HB3 MET 3 HB3 MET 3 3.105 -2.293 -9.586 13 HG2 MET 3 HG2 MET 3 4.469 -2.291 -7.107 14 HG3 MET 3 HG3 MET 3 5.600 -2.823 -8.349 15 HE1 MET 3 HE1 MET 3 6.656 0.616 -7.638 16 HE2 MET 3 HE2 MET 3 6.960 -1.121 -7.654 17 HE3 MET 3 HE3 MET 3 7.201 -0.170 -9.120 18 H ALA 4 H ALA 4 1.228 -4.937 -6.257 19 HA ALA 4 HA ALA 4 2.892 -7.209 -6.180 20 HB1 ALA 4 HB1 ALA 4 4.564 -6.518 -4.889 21 HB2 ALA 4 HB2 ALA 4 3.758 -4.985 -4.553 22 HB3 ALA 4 HB3 ALA 4 3.401 -6.404 -3.568 23 H ASN 5 H ASN 5 1.613 -8.805 -5.528 24 HA ASN 5 HA ASN 5 -0.656 -8.150 -3.773 25 HB2 ASN 5 HB2 ASN 5 -0.674 -10.722 -5.229 26 HB3 ASN 5 HB3 ASN 5 -1.974 -9.562 -4.973 27 HD21 ASN 5 HD21 ASN 5 -2.498 -8.207 -6.567 28 HD22 ASN 5 HD22 ASN 5 -1.640 -8.054 -8.058 29 HA PRO 6 HA PRO 6 0.784 -10.798 -0.585 30 HB2 PRO 6 HB2 PRO 6 -1.517 -11.935 0.300 31 HB3 PRO 6 HB3 PRO 6 -1.107 -10.242 0.595 32 HG2 PRO 6 HG2 PRO 6 -2.910 -11.419 -1.484 33 HG3 PRO 6 HG3 PRO 6 -3.155 -9.983 -0.474 34 HD2 PRO 6 HD2 PRO 6 -2.342 -9.830 -3.052 35 HD3 PRO 6 HD3 PRO 6 -1.835 -8.657 -1.820 36 H LYS 7 H LYS 7 1.640 -12.791 -0.386 37 HA LYS 7 HA LYS 7 1.613 -14.645 -2.437 38 HB2 LYS 7 HB2 LYS 7 2.399 -14.746 0.441 39 HB3 LYS 7 HB3 LYS 7 2.319 -16.258 -0.454 40 HG2 LYS 7 HG2 LYS 7 3.731 -14.472 -2.088 41 HG3 LYS 7 HG3 LYS 7 4.361 -14.249 -0.455 42 HD2 LYS 7 HD2 LYS 7 4.449 -16.832 -0.387 43 HD3 LYS 7 HD3 LYS 7 4.321 -16.725 -2.145 44 HE2 LYS 7 HE2 LYS 7 6.311 -14.919 -1.000 45 HE3 LYS 7 HE3 LYS 7 6.650 -16.622 -0.698 46 HZ1 LYS 7 HZ1 LYS 7 6.460 -17.037 -3.076 47 HZ2 LYS 7 HZ2 LYS 7 7.660 -15.888 -2.757 48 HZ3 LYS 7 HZ3 LYS 7 6.158 -15.396 -3.358 49 H THR 8 H THR 8 -0.475 -14.413 0.379 50 HA THR 8 HA THR 8 -2.338 -16.264 -0.873 51 HB THR 8 HB THR 8 -2.647 -17.480 1.334 52 HG1 THR 8 HG1 THR 8 -0.989 -17.351 2.816 53 HG21 THR 8 HG21 THR 8 0.055 -17.899 0.062 54 HG22 THR 8 HG22 THR 8 -1.461 -18.395 -0.691 55 HG23 THR 8 HG23 THR 8 -0.967 -19.102 0.846 56 H ILE 9 H ILE 9 -4.465 -15.950 -0.265 57 HA ILE 9 HA ILE 9 -4.942 -13.666 1.537 58 HB ILE 9 HB ILE 9 -7.065 -13.329 0.232 59 HG12 ILE 9 HG12 ILE 9 -6.039 -14.608 -2.170 60 HG13 ILE 9 HG13 ILE 9 -6.364 -15.779 -0.897 61 HG21 ILE 9 HG21 ILE 9 -6.020 -12.038 -1.468 62 HG22 ILE 9 HG22 ILE 9 -4.946 -12.018 -0.070 63 HG23 ILE 9 HG23 ILE 9 -4.582 -13.058 -1.447 64 HD11 ILE 9 HD11 ILE 9 -8.577 -15.552 -1.094 65 HD12 ILE 9 HD12 ILE 9 -8.482 -13.801 -1.288 66 HD13 ILE 9 HD13 ILE 9 -8.194 -14.859 -2.669 67 H LYS 10 H LYS 10 -6.095 -14.057 3.304 68 HA LYS 10 HA LYS 10 -6.951 -16.573 4.093 69 HB2 LYS 10 HB2 LYS 10 -7.049 -13.900 5.133 70 HB3 LYS 10 HB3 LYS 10 -8.599 -14.684 5.410 71 HG2 LYS 10 HG2 LYS 10 -7.535 -15.345 7.294 72 HG3 LYS 10 HG3 LYS 10 -7.020 -16.655 6.230 73 HD2 LYS 10 HD2 LYS 10 -5.049 -15.952 7.278 74 HD3 LYS 10 HD3 LYS 10 -4.999 -15.173 5.695 75 HE2 LYS 10 HE2 LYS 10 -4.954 -13.153 6.626 76 HE3 LYS 10 HE3 LYS 10 -6.384 -13.512 7.593 77 HZ1 LYS 10 HZ1 LYS 10 -4.190 -14.877 8.685 78 HZ2 LYS 10 HZ2 LYS 10 -5.111 -13.640 9.381 79 HZ3 LYS 10 HZ3 LYS 10 -3.744 -13.260 8.459 80 H ALA 11 H ALA 11 -8.783 -17.735 3.877 81 HA ALA 11 HA ALA 11 -10.523 -17.358 1.770 82 HB1 ALA 11 HB1 ALA 11 -10.504 -19.051 4.186 83 HB2 ALA 11 HB2 ALA 11 -12.067 -18.840 3.396 84 HB3 ALA 11 HB3 ALA 11 -10.702 -19.491 2.489 85 H ALA 12 H ALA 12 -10.772 -16.191 5.075 86 HA ALA 12 HA ALA 12 -13.425 -15.420 5.176 87 HB1 ALA 12 HB1 ALA 12 -11.170 -13.804 6.342 88 HB2 ALA 12 HB2 ALA 12 -12.826 -13.944 6.933 89 HB3 ALA 12 HB3 ALA 12 -11.733 -15.324 7.036 90 H ALA 13 H ALA 13 -10.665 -13.703 3.779 91 HA ALA 13 HA ALA 13 -12.020 -11.307 3.168 92 HB1 ALA 13 HB1 ALA 13 -9.606 -11.401 3.213 93 HB2 ALA 13 HB2 ALA 13 -9.596 -12.543 1.869 94 HB3 ALA 13 HB3 ALA 13 -10.150 -10.888 1.615 95 H TYR 14 H TYR 14 -11.588 -14.319 1.384 96 HA TYR 14 HA TYR 14 -12.646 -13.418 -1.075 97 HB2 TYR 14 HB2 TYR 14 -11.291 -15.518 -0.696 98 HB3 TYR 14 HB3 TYR 14 -12.744 -16.249 -0.024 99 HD1 TYR 14 HD1 TYR 14 -14.187 -17.394 -1.432 100 HD2 TYR 14 HD2 TYR 14 -11.532 -14.518 -3.101 101 HE1 TYR 14 HE1 TYR 14 -14.907 -18.049 -3.691 102 HE2 TYR 14 HE2 TYR 14 -12.244 -15.165 -5.364 103 HH TYR 14 HH TYR 14 -14.281 -17.934 -5.928 104 H ASN 15 H ASN 15 -14.134 -15.205 1.619 105 HA ASN 15 HA ASN 15 -16.730 -15.251 0.464 106 HB2 ASN 15 HB2 ASN 15 -15.947 -15.550 3.373 107 HB3 ASN 15 HB3 ASN 15 -17.479 -16.036 2.652 108 HD21 ASN 15 HD21 ASN 15 -16.600 -18.037 3.818 109 HD22 ASN 15 HD22 ASN 15 -15.701 -19.138 2.836 110 H GLN 16 H GLN 16 -15.031 -13.027 2.567 111 HA GLN 16 HA GLN 16 -17.341 -11.505 3.291 112 HB2 GLN 16 HB2 GLN 16 -15.302 -11.561 4.679 113 HB3 GLN 16 HB3 GLN 16 -14.417 -10.742 3.398 114 HG2 GLN 16 HG2 GLN 16 -14.910 -8.980 4.754 115 HG3 GLN 16 HG3 GLN 16 -16.299 -8.944 3.669 116 HE21 GLN 16 HE21 GLN 16 -18.290 -9.842 4.416 117 HE22 GLN 16 HE22 GLN 16 -18.639 -9.902 6.107 118 H ALA 17 H ALA 17 -14.934 -11.342 0.746 119 HA ALA 17 HA ALA 17 -15.616 -8.745 -0.187 120 HB1 ALA 17 HB1 ALA 17 -14.005 -11.018 -1.224 121 HB2 ALA 17 HB2 ALA 17 -14.499 -9.755 -2.351 122 HB3 ALA 17 HB3 ALA 17 -13.540 -9.342 -0.930 123 H ARG 18 H ARG 18 -16.478 -12.013 -1.306 124 HA ARG 18 HA ARG 18 -18.176 -11.124 -3.394 125 HB2 ARG 18 HB2 ARG 18 -19.040 -13.491 -3.325 126 HB3 ARG 18 HB3 ARG 18 -17.302 -13.333 -3.539 127 HG2 ARG 18 HG2 ARG 18 -17.006 -14.696 -1.825 128 HG3 ARG 18 HG3 ARG 18 -17.741 -13.486 -0.770 129 HD2 ARG 18 HD2 ARG 18 -18.843 -15.675 -0.584 130 HD3 ARG 18 HD3 ARG 18 -19.938 -14.425 -1.175 131 HE ARG 18 HE ARG 18 -18.653 -15.965 -3.247 132 HH11 ARG 18 HH11 ARG 18 -21.389 -15.715 -1.109 133 HH12 ARG 18 HH12 ARG 18 -22.418 -16.697 -2.098 134 HH21 ARG 18 HH21 ARG 18 -19.998 -17.259 -4.559 135 HH22 ARG 18 HH22 ARG 18 -21.625 -17.576 -4.060 136 H SER 19 H SER 19 -18.679 -11.845 -0.001 137 HA SER 19 HA SER 19 -21.457 -12.044 0.050 138 HB2 SER 19 HB2 SER 19 -20.433 -12.619 2.061 139 HB3 SER 19 HB3 SER 19 -19.405 -11.187 2.064 140 HG SER 19 HG SER 19 -20.869 -10.296 3.261 141 H THR 20 H THR 20 -19.409 -9.165 0.457 142 HA THR 20 HA THR 20 -21.431 -7.292 0.847 143 HB THR 20 HB THR 20 -18.800 -6.839 -0.574 144 HG1 THR 20 HG1 THR 20 -17.915 -6.699 1.387 145 HG21 THR 20 HG21 THR 20 -19.691 -4.638 1.015 146 HG22 THR 20 HG22 THR 20 -20.980 -5.100 -0.096 147 HG23 THR 20 HG23 THR 20 -19.381 -4.694 -0.719 148 H LEU 21 H LEU 21 -19.985 -8.472 -2.164 149 HA LEU 21 HA LEU 21 -21.377 -6.734 -3.896 150 HB2 LEU 21 HB2 LEU 21 -20.434 -9.509 -4.572 151 HB3 LEU 21 HB3 LEU 21 -20.652 -8.145 -5.667 152 HG LEU 21 HG LEU 21 -18.631 -7.985 -3.467 153 HD11 LEU 21 HD11 LEU 21 -17.381 -8.772 -5.895 154 HD12 LEU 21 HD12 LEU 21 -18.606 -9.971 -5.483 155 HD13 LEU 21 HD13 LEU 21 -17.341 -9.569 -4.322 156 HD21 LEU 21 HD21 LEU 21 -17.542 -6.464 -4.989 157 HD22 LEU 21 HD22 LEU 21 -19.231 -5.990 -4.798 158 HD23 LEU 21 HD23 LEU 21 -18.711 -6.839 -6.255 159 H ALA 22 H ALA 22 -22.233 -9.748 -2.371 160 HA ALA 22 HA ALA 22 -24.322 -10.625 -3.959 161 HB1 ALA 22 HB1 ALA 22 -24.847 -10.845 -1.086 162 HB2 ALA 22 HB2 ALA 22 -24.695 -12.102 -2.315 163 HB3 ALA 22 HB3 ALA 22 -23.250 -11.407 -1.580 164 H ASP 23 H ASP 23 -24.170 -7.883 -1.843 165 HA ASP 23 HA ASP 23 -26.876 -7.446 -1.331 166 HB2 ASP 23 HB2 ASP 23 -24.544 -6.129 -0.741 167 HB3 ASP 23 HB3 ASP 23 -25.323 -5.009 -1.855 168 H ALA 24 H ALA 24 -24.937 -6.730 -4.167 169 HA ALA 24 HA ALA 24 -27.301 -5.570 -5.479 170 HB1 ALA 24 HB1 ALA 24 -25.578 -4.016 -5.662 171 HB2 ALA 24 HB2 ALA 24 -24.360 -5.256 -5.964 172 HB3 ALA 24 HB3 ALA 24 -25.540 -4.857 -7.212 173 H GLY 25 H GLY 25 -25.097 -8.237 -5.506 174 HA2 GLY 25 HA2 GLY 25 -26.193 -10.227 -6.630 175 HA3 GLY 25 HA3 GLY 25 -26.271 -9.187 -8.044 176 H SER 26 H SER 26 -24.930 -11.768 -7.693 177 HA SER 26 HA SER 26 -22.184 -10.907 -8.328 178 HB2 SER 26 HB2 SER 26 -21.948 -13.551 -7.543 179 HB3 SER 26 HB3 SER 26 -21.542 -12.145 -6.560 180 HG SER 26 HG SER 26 -23.246 -12.490 -5.367 181 H ARG 27 H ARG 27 -21.729 -11.227 -10.392 182 HA ARG 27 HA ARG 27 -23.334 -12.932 -12.050 183 HB2 ARG 27 HB2 ARG 27 -21.450 -10.800 -12.427 184 HB3 ARG 27 HB3 ARG 27 -20.994 -12.163 -13.440 185 HG2 ARG 27 HG2 ARG 27 -22.444 -10.623 -14.634 186 HG3 ARG 27 HG3 ARG 27 -23.223 -12.192 -14.423 187 HD2 ARG 27 HD2 ARG 27 -24.458 -11.290 -12.493 188 HD3 ARG 27 HD3 ARG 27 -23.711 -9.717 -12.770 189 HE ARG 27 HE ARG 27 -25.192 -9.357 -14.476 190 HH11 ARG 27 HH11 ARG 27 -25.177 -12.746 -13.679 191 HH12 ARG 27 HH12 ARG 27 -26.521 -13.126 -14.705 192 HH21 ARG 27 HH21 ARG 27 -26.962 -9.845 -15.830 193 HH22 ARG 27 HH22 ARG 27 -27.534 -11.476 -15.928 194 H THR 28 H THR 28 -19.829 -12.873 -11.370 195 HA THR 28 HA THR 28 -19.488 -15.547 -12.364 196 HB THR 28 HB THR 28 -17.189 -15.283 -11.997 197 HG1 THR 28 HG1 THR 28 -17.872 -13.262 -10.104 198 HG21 THR 28 HG21 THR 28 -16.700 -13.396 -13.203 199 HG22 THR 28 HG22 THR 28 -17.796 -12.381 -12.266 200 HG23 THR 28 HG23 THR 28 -18.438 -13.484 -13.483 201 H ALA 29 H ALA 29 -19.494 -14.001 -9.178 202 HA ALA 29 HA ALA 29 -18.762 -16.213 -7.640 203 HB1 ALA 29 HB1 ALA 29 -19.569 -13.584 -7.153 204 HB2 ALA 29 HB2 ALA 29 -20.708 -14.598 -6.266 205 HB3 ALA 29 HB3 ALA 29 -18.976 -14.757 -5.977 206 H ALA 30 H ALA 30 -21.793 -15.383 -9.139 207 HA ALA 30 HA ALA 30 -23.567 -16.935 -7.658 208 HB1 ALA 30 HB1 ALA 30 -24.599 -17.142 -10.155 209 HB2 ALA 30 HB2 ALA 30 -24.787 -15.732 -9.111 210 HB3 ALA 30 HB3 ALA 30 -23.528 -15.753 -10.346 211 H LYS 31 H LYS 31 -21.268 -17.851 -10.134 212 HA LYS 31 HA LYS 31 -22.245 -20.613 -10.089 213 HB2 LYS 31 HB2 LYS 31 -20.229 -19.243 -11.877 214 HB3 LYS 31 HB3 LYS 31 -20.661 -20.944 -11.987 215 HG2 LYS 31 HG2 LYS 31 -22.189 -20.302 -13.467 216 HG3 LYS 31 HG3 LYS 31 -23.101 -19.686 -12.087 217 HD2 LYS 31 HD2 LYS 31 -23.021 -17.832 -13.459 218 HD3 LYS 31 HD3 LYS 31 -21.622 -17.561 -12.418 219 HE2 LYS 31 HE2 LYS 31 -20.574 -17.237 -14.392 220 HE3 LYS 31 HE3 LYS 31 -20.467 -18.996 -14.373 221 HZ1 LYS 31 HZ1 LYS 31 -22.590 -17.417 -15.722 222 HZ2 LYS 31 HZ2 LYS 31 -22.461 -19.103 -15.722 223 HZ3 LYS 31 HZ3 LYS 31 -21.284 -18.165 -16.494 224 H SER 32 H SER 32 -19.620 -18.611 -9.037 225 HA SER 32 HA SER 32 -18.080 -20.974 -8.216 226 HB2 SER 32 HB2 SER 32 -17.359 -18.140 -8.819 227 HB3 SER 32 HB3 SER 32 -16.375 -19.020 -7.650 228 HG SER 32 HG SER 32 -16.151 -19.118 -10.231 229 H HIS 33 H HIS 33 -18.504 -21.657 -6.229 230 HA HIS 33 HA HIS 33 -19.634 -19.917 -4.232 231 HB2 HIS 33 HB2 HIS 33 -19.021 -22.828 -4.438 232 HB3 HIS 33 HB3 HIS 33 -19.188 -22.132 -2.829 233 HD1 HIS 33 HD1 HIS 33 -21.145 -22.938 -5.913 234 HD2 HIS 33 HD2 HIS 33 -21.785 -21.386 -2.112 235 HE1 HIS 33 HE1 HIS 33 -23.641 -22.916 -5.607 236 HA PRO 34 HA PRO 34 -16.030 -18.728 -2.034 237 HB2 PRO 34 HB2 PRO 34 -16.835 -18.908 0.552 238 HB3 PRO 34 HB3 PRO 34 -17.407 -17.647 -0.547 239 HG2 PRO 34 HG2 PRO 34 -18.744 -20.198 0.271 240 HG3 PRO 34 HG3 PRO 34 -19.439 -18.576 0.099 241 HD2 PRO 34 HD2 PRO 34 -19.722 -20.491 -1.795 242 HD3 PRO 34 HD3 PRO 34 -19.628 -18.763 -2.191 243 H ILE 35 H ILE 35 -14.931 -19.459 0.291 244 HA ILE 35 HA ILE 35 -14.517 -22.369 0.091 245 HB ILE 35 HB ILE 35 -12.324 -20.407 0.740 246 HG12 ILE 35 HG12 ILE 35 -11.851 -21.597 -1.774 247 HG13 ILE 35 HG13 ILE 35 -13.510 -21.010 -1.815 248 HG21 ILE 35 HG21 ILE 35 -12.491 -23.104 1.169 249 HG22 ILE 35 HG22 ILE 35 -11.660 -23.019 -0.383 250 HG23 ILE 35 HG23 ILE 35 -10.994 -22.185 1.020 251 HD11 ILE 35 HD11 ILE 35 -12.354 -18.854 -0.787 252 HD12 ILE 35 HD12 ILE 35 -10.969 -19.514 -1.657 253 HD13 ILE 35 HD13 ILE 35 -12.459 -19.141 -2.523 254 H HIS 36 H HIS 36 -14.465 -23.482 1.967 255 HA HIS 36 HA HIS 36 -14.283 -21.991 4.487 256 HB2 HIS 36 HB2 HIS 36 -16.154 -23.336 5.413 257 HB3 HIS 36 HB3 HIS 36 -16.659 -22.277 4.100 258 HD1 HIS 36 HD1 HIS 36 -17.424 -23.393 1.902 259 HD2 HIS 36 HD2 HIS 36 -16.327 -26.081 4.875 260 HE1 HIS 36 HE1 HIS 36 -18.247 -25.636 1.118 261 H GLY 37 H GLY 37 -13.749 -23.330 6.342 262 HA2 GLY 37 HA2 GLY 37 -12.364 -24.861 7.350 263 HA3 GLY 37 HA3 GLY 37 -13.175 -26.034 6.322 264 H LYS 38 H LYS 38 -11.216 -23.375 5.130 265 HA LYS 38 HA LYS 38 -9.195 -25.338 4.261 266 HB2 LYS 38 HB2 LYS 38 -10.635 -23.225 2.762 267 HB3 LYS 38 HB3 LYS 38 -8.919 -23.392 2.414 268 HG2 LYS 38 HG2 LYS 38 -9.808 -25.990 2.361 269 HG3 LYS 38 HG3 LYS 38 -11.154 -25.091 1.658 270 HD2 LYS 38 HD2 LYS 38 -9.587 -24.024 0.083 271 HD3 LYS 38 HD3 LYS 38 -8.272 -24.985 0.765 272 HE2 LYS 38 HE2 LYS 38 -8.838 -26.774 -0.442 273 HE3 LYS 38 HE3 LYS 38 -10.537 -26.627 0.004 274 HZ1 LYS 38 HZ1 LYS 38 -10.609 -26.291 -2.248 275 HZ2 LYS 38 HZ2 LYS 38 -9.121 -25.489 -2.305 276 HZ3 LYS 38 HZ3 LYS 38 -10.487 -24.693 -1.703 277 H THR 39 H THR 39 -7.034 -24.681 4.254 278 HA THR 39 HA THR 39 -6.226 -23.002 6.334 279 HB THR 39 HB THR 39 -4.151 -23.151 4.354 280 HG1 THR 39 HG1 THR 39 -4.635 -24.990 3.438 281 HG21 THR 39 HG21 THR 39 -3.419 -23.136 6.539 282 HG22 THR 39 HG22 THR 39 -3.323 -24.858 6.170 283 HG23 THR 39 HG23 THR 39 -4.692 -24.227 7.085 284 H ASP 40 H ASP 40 -5.742 -22.425 2.843 285 HA ASP 40 HA ASP 40 -6.721 -19.806 2.828 286 HB2 ASP 40 HB2 ASP 40 -4.367 -18.716 2.512 287 HB3 ASP 40 HB3 ASP 40 -5.000 -18.966 4.136 288 H VAL 41 H VAL 41 -6.630 -18.859 0.777 289 HA VAL 41 HA VAL 41 -5.598 -20.643 -1.325 290 HB VAL 41 HB VAL 41 -7.220 -19.381 -2.815 291 HG11 VAL 41 HG11 VAL 41 -8.587 -21.121 -2.548 292 HG12 VAL 41 HG12 VAL 41 -7.555 -21.598 -1.199 293 HG13 VAL 41 HG13 VAL 41 -9.006 -20.639 -0.905 294 HG21 VAL 41 HG21 VAL 41 -8.849 -17.996 -1.940 295 HG22 VAL 41 HG22 VAL 41 -8.663 -18.633 -0.306 296 HG23 VAL 41 HG23 VAL 41 -7.441 -17.552 -0.975 297 HA PRO 42 HA PRO 42 -2.770 -17.603 -2.753 298 HB2 PRO 42 HB2 PRO 42 -2.818 -18.048 -5.431 299 HB3 PRO 42 HB3 PRO 42 -2.055 -19.158 -4.286 300 HG2 PRO 42 HG2 PRO 42 -4.752 -19.324 -5.573 301 HG3 PRO 42 HG3 PRO 42 -3.555 -20.606 -5.315 302 HD2 PRO 42 HD2 PRO 42 -5.715 -20.287 -3.714 303 HD3 PRO 42 HD3 PRO 42 -4.164 -20.905 -3.112 304 H VAL 43 H VAL 43 -2.594 -15.588 -3.796 305 HA VAL 43 HA VAL 43 -4.802 -13.938 -3.786 306 HB VAL 43 HB VAL 43 -2.615 -12.970 -3.750 307 HG11 VAL 43 HG11 VAL 43 -2.267 -14.163 -6.496 308 HG12 VAL 43 HG12 VAL 43 -1.164 -12.989 -5.774 309 HG13 VAL 43 HG13 VAL 43 -1.376 -14.575 -5.030 310 HG21 VAL 43 HG21 VAL 43 -4.674 -12.013 -5.289 311 HG22 VAL 43 HG22 VAL 43 -3.237 -11.105 -4.821 312 HG23 VAL 43 HG23 VAL 43 -3.296 -11.917 -6.385 313 H SER 44 H SER 44 -3.565 -15.940 -6.377 314 HA SER 44 HA SER 44 -4.880 -14.835 -8.560 315 HB2 SER 44 HB2 SER 44 -3.284 -17.031 -8.157 316 HB3 SER 44 HB3 SER 44 -4.834 -17.774 -8.552 317 HG SER 44 HG SER 44 -3.722 -17.393 -10.453 318 H TYR 45 H TYR 45 -6.095 -16.845 -5.979 319 HA TYR 45 HA TYR 45 -8.557 -17.535 -7.243 320 HB2 TYR 45 HB2 TYR 45 -7.311 -18.583 -5.157 321 HB3 TYR 45 HB3 TYR 45 -8.305 -17.435 -4.267 322 HD1 TYR 45 HD1 TYR 45 -8.190 -20.645 -5.807 323 HD2 TYR 45 HD2 TYR 45 -10.844 -17.513 -4.688 324 HE1 TYR 45 HE1 TYR 45 -10.078 -22.218 -5.903 325 HE2 TYR 45 HE2 TYR 45 -12.739 -19.078 -4.780 326 HH TYR 45 HH TYR 45 -12.250 -22.514 -5.516 327 H GLY 46 H GLY 46 -7.667 -15.137 -4.764 328 HA2 GLY 46 HA2 GLY 46 -10.272 -14.021 -4.558 329 HA3 GLY 46 HA3 GLY 46 -8.783 -13.284 -3.985 330 H THR 47 H THR 47 -7.459 -13.226 -6.527 331 HA THR 47 HA THR 47 -8.247 -10.728 -7.465 332 HB THR 47 HB THR 47 -6.891 -11.340 -9.540 333 HG1 THR 47 HG1 THR 47 -6.551 -13.413 -9.762 334 HG21 THR 47 HG21 THR 47 -5.661 -10.140 -8.006 335 HG22 THR 47 HG22 THR 47 -4.751 -11.650 -8.044 336 HG23 THR 47 HG23 THR 47 -5.885 -11.336 -6.731 337 H SER 48 H SER 48 -9.272 -13.935 -8.420 338 HA SER 48 HA SER 48 -10.501 -13.262 -10.864 339 HB2 SER 48 HB2 SER 48 -10.019 -15.581 -10.263 340 HB3 SER 48 HB3 SER 48 -11.160 -15.491 -8.922 341 HG SER 48 HG SER 48 -11.625 -15.756 -11.640 342 H LEU 49 H LEU 49 -11.634 -13.186 -7.536 343 HA LEU 49 HA LEU 49 -14.359 -12.624 -8.212 344 HB2 LEU 49 HB2 LEU 49 -13.248 -13.582 -6.013 345 HB3 LEU 49 HB3 LEU 49 -13.218 -11.877 -5.568 346 HG LEU 49 HG LEU 49 -15.829 -12.516 -6.512 347 HD11 LEU 49 HD11 LEU 49 -15.024 -14.272 -4.215 348 HD12 LEU 49 HD12 LEU 49 -15.046 -14.853 -5.879 349 HD13 LEU 49 HD13 LEU 49 -16.532 -14.273 -5.128 350 HD21 LEU 49 HD21 LEU 49 -15.286 -12.166 -3.625 351 HD22 LEU 49 HD22 LEU 49 -16.453 -11.353 -4.669 352 HD23 LEU 49 HD23 LEU 49 -14.755 -10.872 -4.700 353 H LEU 50 H LEU 50 -11.612 -10.681 -7.084 354 HA LEU 50 HA LEU 50 -12.888 -8.228 -6.834 355 HB2 LEU 50 HB2 LEU 50 -10.306 -9.153 -6.626 356 HB3 LEU 50 HB3 LEU 50 -10.215 -8.037 -7.987 357 HG LEU 50 HG LEU 50 -11.106 -7.395 -5.177 358 HD11 LEU 50 HD11 LEU 50 -8.900 -7.179 -4.895 359 HD12 LEU 50 HD12 LEU 50 -9.066 -5.709 -5.855 360 HD13 LEU 50 HD13 LEU 50 -8.577 -7.217 -6.628 361 HD21 LEU 50 HD21 LEU 50 -12.339 -5.804 -6.153 362 HD22 LEU 50 HD22 LEU 50 -11.565 -6.033 -7.721 363 HD23 LEU 50 HD23 LEU 50 -10.798 -5.019 -6.498 364 H ALA 51 H ALA 51 -11.219 -9.563 -9.682 365 HA ALA 51 HA ALA 51 -11.891 -7.383 -11.380 366 HB1 ALA 51 HB1 ALA 51 -10.496 -9.929 -11.624 367 HB2 ALA 51 HB2 ALA 51 -11.404 -9.491 -13.071 368 HB3 ALA 51 HB3 ALA 51 -10.191 -8.387 -12.423 369 H ALA 52 H ALA 52 -13.404 -10.460 -10.631 370 HA ALA 52 HA ALA 52 -15.240 -10.604 -12.730 371 HB1 ALA 52 HB1 ALA 52 -15.027 -11.768 -10.025 372 HB2 ALA 52 HB2 ALA 52 -16.632 -11.769 -10.757 373 HB3 ALA 52 HB3 ALA 52 -15.285 -12.551 -11.584 374 H ALA 53 H ALA 53 -15.580 -9.115 -9.518 375 HA ALA 53 HA ALA 53 -18.221 -8.155 -10.004 376 HB1 ALA 53 HB1 ALA 53 -18.093 -8.058 -7.787 377 HB2 ALA 53 HB2 ALA 53 -16.332 -8.147 -7.820 378 HB3 ALA 53 HB3 ALA 53 -17.139 -6.587 -7.979 379 H ARG 54 H ARG 54 -15.002 -6.668 -10.086 380 HA ARG 54 HA ARG 54 -15.737 -4.034 -10.549 381 HB2 ARG 54 HB2 ARG 54 -13.478 -4.259 -10.164 382 HB3 ARG 54 HB3 ARG 54 -13.334 -5.674 -11.199 383 HG2 ARG 54 HG2 ARG 54 -13.069 -4.434 -13.098 384 HG3 ARG 54 HG3 ARG 54 -13.978 -3.062 -12.460 385 HD2 ARG 54 HD2 ARG 54 -12.125 -2.088 -11.697 386 HD3 ARG 54 HD3 ARG 54 -11.596 -3.571 -10.903 387 HE ARG 54 HE ARG 54 -11.135 -3.836 -13.646 388 HH11 ARG 54 HH11 ARG 54 -10.009 -1.950 -10.946 389 HH12 ARG 54 HH12 ARG 54 -8.421 -1.723 -11.599 390 HH21 ARG 54 HH21 ARG 54 -9.047 -3.544 -14.517 391 HH22 ARG 54 HH22 ARG 54 -7.875 -2.629 -13.631 392 H ASP 55 H ASP 55 -15.055 -6.579 -12.944 393 HA ASP 55 HA ASP 55 -15.672 -4.981 -15.198 394 HB2 ASP 55 HB2 ASP 55 -14.375 -7.250 -15.017 395 HB3 ASP 55 HB3 ASP 55 -15.971 -7.963 -15.229 396 H GLU 56 H GLU 56 -17.559 -7.282 -13.284 397 HA GLU 56 HA GLU 56 -19.860 -7.335 -14.868 398 HB2 GLU 56 HB2 GLU 56 -19.456 -8.901 -13.020 399 HB3 GLU 56 HB3 GLU 56 -19.639 -7.591 -11.863 400 HG2 GLU 56 HG2 GLU 56 -21.976 -7.338 -13.082 401 HG3 GLU 56 HG3 GLU 56 -21.691 -9.043 -13.430 402 H PHE 57 H PHE 57 -19.046 -5.240 -12.113 403 HA PHE 57 HA PHE 57 -21.426 -3.765 -12.078 404 HB2 PHE 57 HB2 PHE 57 -18.627 -2.993 -11.235 405 HB3 PHE 57 HB3 PHE 57 -20.056 -2.022 -10.897 406 HD1 PHE 57 HD1 PHE 57 -17.940 -3.597 -9.086 407 HD2 PHE 57 HD2 PHE 57 -21.983 -4.218 -10.262 408 HE1 PHE 57 HE1 PHE 57 -18.332 -4.899 -7.036 409 HE2 PHE 57 HE2 PHE 57 -22.382 -5.521 -8.213 410 HZ PHE 57 HZ PHE 57 -20.556 -5.862 -6.596 411 H ARG 58 H ARG 58 -18.648 -3.587 -14.145 412 HA ARG 58 HA ARG 58 -18.841 -0.978 -15.097 413 HB2 ARG 58 HB2 ARG 58 -17.028 -2.703 -15.573 414 HB3 ARG 58 HB3 ARG 58 -18.102 -3.348 -16.807 415 HG2 ARG 58 HG2 ARG 58 -18.101 -0.758 -17.514 416 HG3 ARG 58 HG3 ARG 58 -16.496 -0.880 -16.790 417 HD2 ARG 58 HD2 ARG 58 -17.565 -2.714 -18.932 418 HD3 ARG 58 HD3 ARG 58 -16.515 -1.328 -19.228 419 HE ARG 58 HE ARG 58 -15.207 -2.883 -17.367 420 HH11 ARG 58 HH11 ARG 58 -16.396 -3.279 -20.615 421 HH12 ARG 58 HH12 ARG 58 -15.185 -4.437 -21.057 422 HH21 ARG 58 HH21 ARG 58 -13.608 -4.406 -17.936 423 HH22 ARG 58 HH22 ARG 58 -13.600 -5.077 -19.532 424 H GLN 59 H GLN 59 -20.580 -3.892 -16.061 425 HA GLN 59 HA GLN 59 -21.922 -2.641 -18.259 426 HB2 GLN 59 HB2 GLN 59 -21.603 -5.014 -18.345 427 HB3 GLN 59 HB3 GLN 59 -22.391 -5.235 -16.789 428 HG2 GLN 59 HG2 GLN 59 -24.160 -3.900 -18.609 429 HG3 GLN 59 HG3 GLN 59 -23.542 -5.385 -19.332 430 HE21 GLN 59 HE21 GLN 59 -25.389 -4.013 -16.724 431 HE22 GLN 59 HE22 GLN 59 -26.123 -5.486 -16.200 432 H ALA 60 H ALA 60 -22.634 -3.205 -14.871 433 HA ALA 60 HA ALA 60 -25.368 -2.687 -14.844 434 HB1 ALA 60 HB1 ALA 60 -24.010 -3.532 -12.930 435 HB2 ALA 60 HB2 ALA 60 -23.422 -1.887 -12.688 436 HB3 ALA 60 HB3 ALA 60 -25.139 -2.245 -12.506 437 H ASP 61 H ASP 61 -22.651 -0.418 -14.514 438 HA ASP 61 HA ASP 61 -24.503 1.836 -14.644 439 HB2 ASP 61 HB2 ASP 61 -22.710 3.206 -13.920 440 HB3 ASP 61 HB3 ASP 61 -22.574 1.719 -12.985 441 H LYS 62 H LYS 62 -24.154 0.177 -16.970 442 HA LYS 62 HA LYS 62 -22.442 1.565 -18.815 443 HB2 LYS 62 HB2 LYS 62 -22.855 -0.817 -19.099 444 HB3 LYS 62 HB3 LYS 62 -24.581 -0.524 -19.264 445 HG2 LYS 62 HG2 LYS 62 -23.125 1.045 -21.176 446 HG3 LYS 62 HG3 LYS 62 -22.668 -0.656 -21.296 447 HD2 LYS 62 HD2 LYS 62 -25.555 0.097 -21.106 448 HD3 LYS 62 HD3 LYS 62 -24.709 0.249 -22.648 449 HE2 LYS 62 HE2 LYS 62 -24.445 -2.008 -22.882 450 HE3 LYS 62 HE3 LYS 62 -24.410 -2.294 -21.143 451 HZ1 LYS 62 HZ1 LYS 62 -26.571 -2.568 -22.893 452 HZ2 LYS 62 HZ2 LYS 62 -26.939 -1.306 -21.829 453 HZ3 LYS 62 HZ3 LYS 62 -26.540 -2.833 -21.222 454 H LYS 63 H LYS 63 -25.838 1.612 -17.960 455 HA LYS 63 HA LYS 63 -26.694 3.176 -20.184 456 HB2 LYS 63 HB2 LYS 63 -28.330 1.859 -19.040 457 HB3 LYS 63 HB3 LYS 63 -27.934 2.598 -17.494 458 HG2 LYS 63 HG2 LYS 63 -28.805 4.481 -19.567 459 HG3 LYS 63 HG3 LYS 63 -30.025 3.312 -19.058 460 HD2 LYS 63 HD2 LYS 63 -28.422 4.995 -17.139 461 HD3 LYS 63 HD3 LYS 63 -30.005 5.463 -17.762 462 HE2 LYS 63 HE2 LYS 63 -30.676 3.064 -16.910 463 HE3 LYS 63 HE3 LYS 63 -29.270 3.283 -15.869 464 HZ1 LYS 63 HZ1 LYS 63 -30.773 4.264 -14.542 465 HZ2 LYS 63 HZ2 LYS 63 -31.848 4.610 -15.801 466 HZ3 LYS 63 HZ3 LYS 63 -30.512 5.612 -15.530 467 H LEU 64 H LEU 64 -25.163 3.891 -17.184 468 HA LEU 64 HA LEU 64 -25.950 6.672 -17.155 469 HB2 LEU 64 HB2 LEU 64 -23.699 5.554 -15.538 470 HB3 LEU 64 HB3 LEU 64 -24.827 6.846 -15.135 471 HG LEU 64 HG LEU 64 -25.596 3.935 -15.284 472 HD11 LEU 64 HD11 LEU 64 -25.328 5.371 -12.700 473 HD12 LEU 64 HD12 LEU 64 -23.861 4.781 -13.479 474 HD13 LEU 64 HD13 LEU 64 -25.154 3.655 -13.068 475 HD21 LEU 64 HD21 LEU 64 -27.091 6.340 -15.124 476 HD22 LEU 64 HD22 LEU 64 -27.220 5.516 -13.570 477 HD23 LEU 64 HD23 LEU 64 -27.673 4.676 -15.054 478 HA PRO 65 HA PRO 65 -22.699 8.323 -19.603 479 HB2 PRO 65 HB2 PRO 65 -22.300 10.715 -18.384 480 HB3 PRO 65 HB3 PRO 65 -23.726 10.365 -19.368 481 HG2 PRO 65 HG2 PRO 65 -23.422 10.322 -16.390 482 HG3 PRO 65 HG3 PRO 65 -24.751 10.969 -17.370 483 HD2 PRO 65 HD2 PRO 65 -24.886 8.559 -16.144 484 HD3 PRO 65 HD3 PRO 65 -25.696 8.891 -17.688 485 H ALA 66 H ALA 66 -20.470 8.700 -19.657 486 HA ALA 66 HA ALA 66 -18.876 7.318 -17.863 487 HB1 ALA 66 HB1 ALA 66 -17.389 7.681 -19.466 488 HB2 ALA 66 HB2 ALA 66 -18.486 8.841 -20.217 489 HB3 ALA 66 HB3 ALA 66 -17.308 9.387 -19.024 490 H LYS 67 H LYS 67 -19.920 10.659 -17.809 491 HA LYS 67 HA LYS 67 -18.102 11.575 -15.837 492 HB2 LYS 67 HB2 LYS 67 -19.443 13.536 -15.721 493 HB3 LYS 67 HB3 LYS 67 -19.467 13.012 -17.400 494 HG2 LYS 67 HG2 LYS 67 -21.661 11.872 -16.879 495 HG3 LYS 67 HG3 LYS 67 -21.642 12.747 -15.346 496 HD2 LYS 67 HD2 LYS 67 -21.482 14.042 -18.066 497 HD3 LYS 67 HD3 LYS 67 -22.959 13.884 -17.113 498 HE2 LYS 67 HE2 LYS 67 -22.451 15.763 -16.046 499 HE3 LYS 67 HE3 LYS 67 -20.986 15.002 -15.426 500 HZ1 LYS 67 HZ1 LYS 67 -19.865 16.478 -16.618 501 HZ2 LYS 67 HZ2 LYS 67 -21.259 17.023 -17.407 502 HZ3 LYS 67 HZ3 LYS 67 -20.403 15.698 -18.020 503 H ASP 68 H ASP 68 -21.127 9.863 -15.703 504 HA ASP 68 HA ASP 68 -21.354 10.258 -12.820 505 HB2 ASP 68 HB2 ASP 68 -23.343 10.322 -14.436 506 HB3 ASP 68 HB3 ASP 68 -23.171 8.572 -14.535 507 H LYS 69 H LYS 69 -19.114 8.770 -13.900 508 HA LYS 69 HA LYS 69 -19.307 6.457 -12.210 509 HB2 LYS 69 HB2 LYS 69 -18.838 4.785 -13.914 510 HB3 LYS 69 HB3 LYS 69 -20.353 5.605 -14.272 511 HG2 LYS 69 HG2 LYS 69 -19.237 6.971 -15.946 512 HG3 LYS 69 HG3 LYS 69 -17.698 6.194 -15.568 513 HD2 LYS 69 HD2 LYS 69 -18.414 5.030 -17.445 514 HD3 LYS 69 HD3 LYS 69 -18.948 3.994 -16.119 515 HE2 LYS 69 HE2 LYS 69 -21.186 4.759 -16.312 516 HE3 LYS 69 HE3 LYS 69 -20.717 6.071 -17.391 517 HZ1 LYS 69 HZ1 LYS 69 -20.951 4.740 -19.127 518 HZ2 LYS 69 HZ2 LYS 69 -21.564 3.540 -18.105 519 HZ3 LYS 69 HZ3 LYS 69 -19.912 3.580 -18.465 520 H LYS 70 H LYS 70 -17.337 5.822 -11.477 521 HA LYS 70 HA LYS 70 -15.067 7.453 -12.267 522 HB2 LYS 70 HB2 LYS 70 -15.495 7.145 -9.889 523 HB3 LYS 70 HB3 LYS 70 -15.388 5.399 -10.071 524 HG2 LYS 70 HG2 LYS 70 -13.360 6.358 -9.095 525 HG3 LYS 70 HG3 LYS 70 -13.043 5.568 -10.642 526 HD2 LYS 70 HD2 LYS 70 -11.847 7.677 -10.516 527 HD3 LYS 70 HD3 LYS 70 -13.103 7.763 -11.753 528 HE2 LYS 70 HE2 LYS 70 -14.209 9.384 -10.672 529 HE3 LYS 70 HE3 LYS 70 -14.012 8.598 -9.106 530 HZ1 LYS 70 HZ1 LYS 70 -11.667 9.433 -9.149 531 HZ2 LYS 70 HZ2 LYS 70 -12.850 10.633 -9.007 532 HZ3 LYS 70 HZ3 LYS 70 -12.086 10.372 -10.493 533 H SER 71 H SER 71 -13.665 6.821 -13.756 534 HA SER 71 HA SER 71 -12.282 5.517 -15.016 535 HB2 SER 71 HB2 SER 71 -12.564 4.055 -12.581 536 HB3 SER 71 HB3 SER 71 -12.624 2.907 -13.918 537 HG SER 71 HG SER 71 -10.652 3.724 -14.650 538 H ASP 72 H ASP 72 -14.713 3.107 -14.047 539 HA ASP 72 HA ASP 72 -16.135 3.277 -16.522 540 HB2 ASP 72 HB2 ASP 72 -13.827 1.697 -16.566 541 HB3 ASP 72 HB3 ASP 72 -15.154 0.553 -16.389 542 H MET 73 H MET 73 -16.602 3.270 -13.623 543 HA MET 73 HA MET 73 -18.796 1.374 -13.618 544 HB2 MET 73 HB2 MET 73 -18.173 0.458 -11.394 545 HB3 MET 73 HB3 MET 73 -17.052 0.003 -12.670 546 HG2 MET 73 HG2 MET 73 -15.860 2.240 -11.757 547 HG3 MET 73 HG3 MET 73 -16.635 1.664 -10.283 548 HE1 MET 73 HE1 MET 73 -16.511 -1.110 -9.783 549 HE2 MET 73 HE2 MET 73 -16.497 -1.571 -11.485 550 HE3 MET 73 HE3 MET 73 -15.205 -2.113 -10.413 551 H SER 74 H SER 74 -20.416 1.862 -12.082 552 HA SER 74 HA SER 74 -20.749 4.608 -11.550 553 HB2 SER 74 HB2 SER 74 -22.826 3.707 -11.604 554 HB3 SER 74 HB3 SER 74 -22.260 2.130 -11.055 555 HG SER 74 HG SER 74 -22.951 4.396 -9.521 556 H ILE 75 H ILE 75 -20.599 5.803 -9.680 557 HA ILE 75 HA ILE 75 -18.546 5.311 -7.911 558 HB ILE 75 HB ILE 75 -21.023 6.954 -7.374 559 HG12 ILE 75 HG12 ILE 75 -18.999 8.701 -7.954 560 HG13 ILE 75 HG13 ILE 75 -18.628 7.363 -9.035 561 HG21 ILE 75 HG21 ILE 75 -20.018 6.729 -5.295 562 HG22 ILE 75 HG22 ILE 75 -18.391 6.719 -5.972 563 HG23 ILE 75 HG23 ILE 75 -19.312 8.222 -5.913 564 HD11 ILE 75 HD11 ILE 75 -20.189 9.323 -9.785 565 HD12 ILE 75 HD12 ILE 75 -20.523 7.661 -10.272 566 HD13 ILE 75 HD13 ILE 75 -21.416 8.385 -8.935 567 H ALA 76 H ALA 76 -21.908 4.333 -7.702 568 HA ALA 76 HA ALA 76 -21.888 3.522 -4.992 569 HB1 ALA 76 HB1 ALA 76 -23.771 3.659 -7.048 570 HB2 ALA 76 HB2 ALA 76 -23.700 1.956 -6.591 571 HB3 ALA 76 HB3 ALA 76 -24.050 3.182 -5.372 572 H HIS 77 H HIS 77 -21.265 1.794 -8.021 573 HA HIS 77 HA HIS 77 -20.853 -0.731 -6.730 574 HB2 HIS 77 HB2 HIS 77 -20.301 0.262 -9.526 575 HB3 HIS 77 HB3 HIS 77 -19.927 -1.379 -9.007 576 HD1 HIS 77 HD1 HIS 77 -22.355 0.192 -10.885 577 HD2 HIS 77 HD2 HIS 77 -22.577 -2.382 -7.632 578 HE1 HIS 77 HE1 HIS 77 -24.658 -0.813 -10.979 579 H TYR 78 H TYR 78 -18.814 1.913 -7.810 580 HA TYR 78 HA TYR 78 -16.320 0.690 -7.715 581 HB2 TYR 78 HB2 TYR 78 -16.958 3.073 -8.469 582 HB3 TYR 78 HB3 TYR 78 -16.763 3.516 -6.777 583 HD1 TYR 78 HD1 TYR 78 -15.130 3.261 -9.868 584 HD2 TYR 78 HD2 TYR 78 -14.475 2.724 -5.699 585 HE1 TYR 78 HE1 TYR 78 -12.709 3.516 -10.222 586 HE2 TYR 78 HE2 TYR 78 -12.053 2.979 -6.040 587 HH TYR 78 HH TYR 78 -10.678 4.327 -8.526 588 H ASN 79 H ASN 79 -18.314 1.979 -5.124 589 HA ASN 79 HA ASN 79 -16.322 1.791 -3.097 590 HB2 ASN 79 HB2 ASN 79 -19.281 2.224 -3.141 591 HB3 ASN 79 HB3 ASN 79 -18.506 1.804 -1.616 592 HD21 ASN 79 HD21 ASN 79 -19.216 4.264 -3.812 593 HD22 ASN 79 HD22 ASN 79 -18.288 5.524 -3.080 594 H ALA 80 H ALA 80 -18.764 -0.381 -4.364 595 HA ALA 80 HA ALA 80 -18.573 -2.320 -2.288 596 HB1 ALA 80 HB1 ALA 80 -19.711 -3.810 -3.968 597 HB2 ALA 80 HB2 ALA 80 -20.555 -2.307 -3.590 598 HB3 ALA 80 HB3 ALA 80 -19.648 -2.455 -5.096 599 H VAL 81 H VAL 81 -17.276 -2.221 -5.608 600 HA VAL 81 HA VAL 81 -15.826 -4.615 -5.468 601 HB VAL 81 HB VAL 81 -16.328 -3.357 -7.567 602 HG11 VAL 81 HG11 VAL 81 -13.997 -1.634 -6.733 603 HG12 VAL 81 HG12 VAL 81 -14.898 -1.531 -8.247 604 HG13 VAL 81 HG13 VAL 81 -15.686 -1.127 -6.721 605 HG21 VAL 81 HG21 VAL 81 -14.707 -4.505 -8.602 606 HG22 VAL 81 HG22 VAL 81 -13.424 -3.647 -7.749 607 HG23 VAL 81 HG23 VAL 81 -14.231 -5.015 -6.983 608 H HIS 82 H HIS 82 -14.992 -1.331 -4.527 609 HA HIS 82 HA HIS 82 -12.230 -1.820 -4.082 610 HB2 HIS 82 HB2 HIS 82 -12.957 0.444 -4.405 611 HB3 HIS 82 HB3 HIS 82 -14.091 0.330 -3.063 612 HD1 HIS 82 HD1 HIS 82 -13.230 1.827 -1.295 613 HD2 HIS 82 HD2 HIS 82 -10.189 -0.383 -3.065 614 HE1 HIS 82 HE1 HIS 82 -11.145 2.406 -0.014 615 H SER 83 H SER 83 -15.104 -2.020 -2.063 616 HA SER 83 HA SER 83 -13.848 -2.298 0.427 617 HB2 SER 83 HB2 SER 83 -16.521 -3.091 -0.669 618 HB3 SER 83 HB3 SER 83 -16.039 -3.666 0.926 619 HG SER 83 HG SER 83 -17.066 -1.338 0.341 620 H ALA 84 H ALA 84 -14.561 -4.636 -2.097 621 HA ALA 84 HA ALA 84 -13.913 -6.947 -0.568 622 HB1 ALA 84 HB1 ALA 84 -14.631 -6.346 -3.337 623 HB2 ALA 84 HB2 ALA 84 -13.520 -7.705 -3.162 624 HB3 ALA 84 HB3 ALA 84 -15.070 -7.720 -2.321 625 H ALA 85 H ALA 85 -12.116 -5.028 -2.961 626 HA ALA 85 HA ALA 85 -9.780 -6.533 -3.034 627 HB1 ALA 85 HB1 ALA 85 -10.044 -3.540 -3.299 628 HB2 ALA 85 HB2 ALA 85 -8.680 -4.515 -3.847 629 HB3 ALA 85 HB3 ALA 85 -10.264 -4.715 -4.596 630 H LYS 86 H LYS 86 -10.858 -4.133 -0.708 631 HA LYS 86 HA LYS 86 -8.397 -3.804 0.644 632 HB2 LYS 86 HB2 LYS 86 -10.603 -2.412 0.763 633 HB3 LYS 86 HB3 LYS 86 -11.044 -3.549 2.030 634 HG2 LYS 86 HG2 LYS 86 -10.071 -1.992 3.336 635 HG3 LYS 86 HG3 LYS 86 -8.608 -2.877 2.896 636 HD2 LYS 86 HD2 LYS 86 -8.868 -1.115 0.818 637 HD3 LYS 86 HD3 LYS 86 -9.458 -0.167 2.186 638 HE2 LYS 86 HE2 LYS 86 -6.939 -1.721 2.507 639 HE3 LYS 86 HE3 LYS 86 -6.895 -0.238 1.555 640 HZ1 LYS 86 HZ1 LYS 86 -7.307 -0.596 4.417 641 HZ2 LYS 86 HZ2 LYS 86 -8.200 0.634 3.674 642 HZ3 LYS 86 HZ3 LYS 86 -6.510 0.643 3.585 643 H THR 87 H THR 87 -11.070 -6.062 1.032 644 HA THR 87 HA THR 87 -10.076 -7.220 3.451 645 HB THR 87 HB THR 87 -11.885 -8.789 1.683 646 HG1 THR 87 HG1 THR 87 -12.610 -6.344 2.958 647 HG21 THR 87 HG21 THR 87 -11.149 -9.344 4.085 648 HG22 THR 87 HG22 THR 87 -12.866 -9.466 3.699 649 HG23 THR 87 HG23 THR 87 -12.256 -8.061 4.573 650 H MET 88 H MET 88 -9.932 -8.083 0.022 651 HA MET 88 HA MET 88 -8.541 -10.543 0.484 652 HB2 MET 88 HB2 MET 88 -9.077 -8.913 -1.994 653 HB3 MET 88 HB3 MET 88 -8.143 -10.402 -2.028 654 HG2 MET 88 HG2 MET 88 -10.055 -11.632 -1.154 655 HG3 MET 88 HG3 MET 88 -10.992 -10.141 -1.096 656 HE1 MET 88 HE1 MET 88 -12.630 -9.509 -3.232 657 HE2 MET 88 HE2 MET 88 -11.127 -8.589 -3.168 658 HE3 MET 88 HE3 MET 88 -11.694 -9.248 -4.703 659 H GLY 89 H GLY 89 -7.635 -7.237 0.193 660 HA2 GLY 89 HA2 GLY 89 -5.580 -6.238 0.499 661 HA3 GLY 89 HA3 GLY 89 -4.910 -7.831 0.817 662 H ILE 90 H ILE 90 -6.635 -7.117 -2.130 663 HA ILE 90 HA ILE 90 -4.149 -7.557 -3.620 664 HB ILE 90 HB ILE 90 -6.941 -7.529 -4.753 665 HG12 ILE 90 HG12 ILE 90 -5.359 -9.909 -3.758 666 HG13 ILE 90 HG13 ILE 90 -6.770 -9.223 -2.960 667 HG21 ILE 90 HG21 ILE 90 -4.396 -8.792 -5.760 668 HG22 ILE 90 HG22 ILE 90 -5.955 -8.768 -6.581 669 HG23 ILE 90 HG23 ILE 90 -5.067 -7.265 -6.332 670 HD11 ILE 90 HD11 ILE 90 -6.699 -11.231 -4.907 671 HD12 ILE 90 HD12 ILE 90 -8.118 -10.448 -4.209 672 HD13 ILE 90 HD13 ILE 90 -7.397 -9.811 -5.687 673 H ASP 91 H ASP 91 -3.123 -5.853 -4.405 674 HA ASP 91 HA ASP 91 -4.461 -3.292 -4.621 675 HB2 ASP 91 HB2 ASP 91 -1.592 -4.095 -5.149 676 HB3 ASP 91 HB3 ASP 91 -2.199 -2.443 -5.204 677 H THR 92 H THR 92 -2.432 -5.221 -6.836 678 HA THR 92 HA THR 92 -3.881 -4.000 -9.087 679 HB THR 92 HB THR 92 -1.562 -3.546 -9.313 680 HG1 THR 92 HG1 THR 92 -1.310 -4.356 -11.305 681 HG21 THR 92 HG21 THR 92 -0.107 -4.825 -8.202 682 HG22 THR 92 HG22 THR 92 -0.243 -5.992 -9.517 683 HG23 THR 92 HG23 THR 92 -1.265 -6.150 -8.089 684 H TRP 93 H TRP 93 -5.557 -5.286 -9.589 685 HA TRP 93 HA TRP 93 -5.002 -8.156 -9.972 686 HB2 TRP 93 HB2 TRP 93 -7.250 -8.673 -9.326 687 HB3 TRP 93 HB3 TRP 93 -6.578 -7.617 -8.087 688 HD1 TRP 93 HD1 TRP 93 -9.282 -7.761 -10.753 689 HE1 TRP 93 HE1 TRP 93 -10.830 -5.722 -10.488 690 HE3 TRP 93 HE3 TRP 93 -6.582 -5.136 -7.296 691 HZ2 TRP 93 HZ2 TRP 93 -10.897 -3.318 -9.009 692 HZ3 TRP 93 HZ3 TRP 93 -7.457 -2.975 -6.508 693 HH2 TRP 93 HH2 TRP 93 -9.570 -2.087 -7.349 Start of MODEL 13 1 H1 GLY 1 H GLY 1 1.690 5.974 -6.677 2 HA2 GLY 1 HA2 GLY 1 0.788 4.312 -8.056 3 HA3 GLY 1 HA3 GLY 1 2.408 3.931 -8.619 4 H ALA 2 H ALA 2 1.018 1.789 -8.195 5 HA ALA 2 HA ALA 2 2.372 0.419 -6.136 6 HB1 ALA 2 HB1 ALA 2 1.084 1.060 -4.408 7 HB2 ALA 2 HB2 ALA 2 -0.247 1.563 -5.451 8 HB3 ALA 2 HB3 ALA 2 -0.041 -0.141 -5.046 9 H MET 3 H MET 3 2.673 -1.486 -7.069 10 HA MET 3 HA MET 3 0.393 -2.924 -8.176 11 HB2 MET 3 HB2 MET 3 2.628 -1.835 -9.760 12 HB3 MET 3 HB3 MET 3 2.254 -3.525 -10.071 13 HG2 MET 3 HG2 MET 3 -0.223 -2.442 -10.116 14 HG3 MET 3 HG3 MET 3 0.742 -1.100 -10.727 15 HE1 MET 3 HE1 MET 3 3.111 -2.982 -12.623 16 HE2 MET 3 HE2 MET 3 2.232 -2.180 -13.925 17 HE3 MET 3 HE3 MET 3 2.505 -1.341 -12.397 18 H ALA 4 H ALA 4 0.588 -4.381 -6.482 19 HA ALA 4 HA ALA 4 2.268 -6.586 -6.879 20 HB1 ALA 4 HB1 ALA 4 3.426 -4.452 -5.290 21 HB2 ALA 4 HB2 ALA 4 3.347 -5.979 -4.409 22 HB3 ALA 4 HB3 ALA 4 4.179 -5.898 -5.962 23 H ASN 5 H ASN 5 0.897 -8.121 -6.274 24 HA ASN 5 HA ASN 5 -0.950 -7.655 -4.072 25 HB2 ASN 5 HB2 ASN 5 -0.946 -10.270 -5.462 26 HB3 ASN 5 HB3 ASN 5 -2.296 -9.228 -5.022 27 HD21 ASN 5 HD21 ASN 5 -2.510 -7.218 -6.314 28 HD22 ASN 5 HD22 ASN 5 -2.167 -7.313 -8.005 29 HA PRO 6 HA PRO 6 1.134 -10.057 -1.049 30 HB2 PRO 6 HB2 PRO 6 -0.924 -11.314 0.197 31 HB3 PRO 6 HB3 PRO 6 -0.605 -9.585 0.377 32 HG2 PRO 6 HG2 PRO 6 -2.594 -10.971 -1.379 33 HG3 PRO 6 HG3 PRO 6 -2.799 -9.514 -0.389 34 HD2 PRO 6 HD2 PRO 6 -2.377 -9.412 -3.062 35 HD3 PRO 6 HD3 PRO 6 -1.788 -8.156 -1.954 36 H LYS 7 H LYS 7 1.939 -12.100 -0.605 37 HA LYS 7 HA LYS 7 2.002 -13.982 -2.638 38 HB2 LYS 7 HB2 LYS 7 2.614 -14.193 0.303 39 HB3 LYS 7 HB3 LYS 7 2.833 -15.554 -0.788 40 HG2 LYS 7 HG2 LYS 7 4.071 -13.189 -1.860 41 HG3 LYS 7 HG3 LYS 7 4.653 -13.520 -0.227 42 HD2 LYS 7 HD2 LYS 7 4.460 -15.791 -2.139 43 HD3 LYS 7 HD3 LYS 7 5.770 -14.628 -2.357 44 HE2 LYS 7 HE2 LYS 7 6.903 -15.469 -0.633 45 HE3 LYS 7 HE3 LYS 7 5.489 -15.384 0.417 46 HZ1 LYS 7 HZ1 LYS 7 4.830 -17.479 -1.041 47 HZ2 LYS 7 HZ2 LYS 7 5.751 -17.613 0.371 48 HZ3 LYS 7 HZ3 LYS 7 6.513 -17.624 -1.140 49 H THR 8 H THR 8 -0.037 -13.871 0.248 50 HA THR 8 HA THR 8 -1.907 -15.696 -1.046 51 HB THR 8 HB THR 8 -2.164 -17.021 1.066 52 HG1 THR 8 HG1 THR 8 -1.177 -15.860 2.630 53 HG21 THR 8 HG21 THR 8 -0.407 -18.529 0.575 54 HG22 THR 8 HG22 THR 8 0.633 -17.238 -0.030 55 HG23 THR 8 HG23 THR 8 -0.789 -17.730 -0.950 56 H ILE 9 H ILE 9 -4.034 -15.631 -0.155 57 HA ILE 9 HA ILE 9 -4.523 -13.294 1.575 58 HB ILE 9 HB ILE 9 -6.728 -13.081 0.395 59 HG12 ILE 9 HG12 ILE 9 -5.642 -14.523 -1.953 60 HG13 ILE 9 HG13 ILE 9 -6.208 -15.529 -0.625 61 HG21 ILE 9 HG21 ILE 9 -4.575 -11.771 -0.088 62 HG22 ILE 9 HG22 ILE 9 -4.470 -12.753 -1.548 63 HG23 ILE 9 HG23 ILE 9 -5.868 -11.710 -1.286 64 HD11 ILE 9 HD11 ILE 9 -7.875 -15.013 -2.443 65 HD12 ILE 9 HD12 ILE 9 -8.397 -14.683 -0.791 66 HD13 ILE 9 HD13 ILE 9 -7.886 -13.358 -1.836 67 H LYS 10 H LYS 10 -6.276 -13.418 3.028 68 HA LYS 10 HA LYS 10 -6.693 -16.024 4.128 69 HB2 LYS 10 HB2 LYS 10 -7.165 -13.268 4.917 70 HB3 LYS 10 HB3 LYS 10 -8.523 -14.303 5.340 71 HG2 LYS 10 HG2 LYS 10 -7.277 -14.547 7.218 72 HG3 LYS 10 HG3 LYS 10 -6.586 -15.855 6.254 73 HD2 LYS 10 HD2 LYS 10 -4.774 -14.633 7.212 74 HD3 LYS 10 HD3 LYS 10 -4.825 -14.242 5.492 75 HE2 LYS 10 HE2 LYS 10 -6.449 -12.325 6.567 76 HE3 LYS 10 HE3 LYS 10 -5.238 -12.530 7.831 77 HZ1 LYS 10 HZ1 LYS 10 -4.948 -10.966 5.660 78 HZ2 LYS 10 HZ2 LYS 10 -4.148 -12.372 5.167 79 HZ3 LYS 10 HZ3 LYS 10 -3.668 -11.578 6.581 80 H ALA 11 H ALA 11 -8.419 -17.352 3.978 81 HA ALA 11 HA ALA 11 -10.143 -17.245 1.809 82 HB1 ALA 11 HB1 ALA 11 -10.159 -18.780 4.370 83 HB2 ALA 11 HB2 ALA 11 -11.539 -18.885 3.277 84 HB3 ALA 11 HB3 ALA 11 -9.934 -19.353 2.717 85 H ALA 12 H ALA 12 -10.585 -16.049 5.092 86 HA ALA 12 HA ALA 12 -13.301 -15.529 5.097 87 HB1 ALA 12 HB1 ALA 12 -11.557 -13.473 6.316 88 HB2 ALA 12 HB2 ALA 12 -12.929 -14.349 6.997 89 HB3 ALA 12 HB3 ALA 12 -11.353 -15.133 6.876 90 H ALA 13 H ALA 13 -10.687 -13.708 3.615 91 HA ALA 13 HA ALA 13 -12.127 -11.361 3.020 92 HB1 ALA 13 HB1 ALA 13 -9.749 -12.583 1.626 93 HB2 ALA 13 HB2 ALA 13 -10.357 -10.951 1.344 94 HB3 ALA 13 HB3 ALA 13 -9.717 -11.393 2.927 95 H TYR 14 H TYR 14 -11.865 -14.453 1.391 96 HA TYR 14 HA TYR 14 -12.994 -13.651 -1.080 97 HB2 TYR 14 HB2 TYR 14 -11.698 -15.834 -0.407 98 HB3 TYR 14 HB3 TYR 14 -13.307 -16.438 -0.028 99 HD1 TYR 14 HD1 TYR 14 -11.609 -14.586 -2.803 100 HD2 TYR 14 HD2 TYR 14 -14.374 -17.622 -1.688 101 HE1 TYR 14 HE1 TYR 14 -11.955 -15.134 -5.175 102 HE2 TYR 14 HE2 TYR 14 -14.727 -18.179 -4.057 103 HH TYR 14 HH TYR 14 -14.067 -17.810 -6.154 104 H ASN 15 H ASN 15 -14.406 -15.335 1.725 105 HA ASN 15 HA ASN 15 -17.042 -15.375 0.719 106 HB2 ASN 15 HB2 ASN 15 -15.796 -15.778 3.408 107 HB3 ASN 15 HB3 ASN 15 -17.544 -15.586 3.303 108 HD21 ASN 15 HD21 ASN 15 -14.817 -17.562 2.423 109 HD22 ASN 15 HD22 ASN 15 -15.722 -18.974 2.006 110 H GLN 16 H GLN 16 -15.252 -13.040 2.637 111 HA GLN 16 HA GLN 16 -17.523 -11.417 3.260 112 HB2 GLN 16 HB2 GLN 16 -15.158 -11.575 4.407 113 HB3 GLN 16 HB3 GLN 16 -14.738 -10.330 3.239 114 HG2 GLN 16 HG2 GLN 16 -16.968 -10.165 5.254 115 HG3 GLN 16 HG3 GLN 16 -15.393 -9.383 5.388 116 HE21 GLN 16 HE21 GLN 16 -18.553 -9.060 4.345 117 HE22 GLN 16 HE22 GLN 16 -18.372 -7.626 3.399 118 H ALA 17 H ALA 17 -15.111 -11.477 0.713 119 HA ALA 17 HA ALA 17 -15.701 -8.934 -0.389 120 HB1 ALA 17 HB1 ALA 17 -14.610 -9.965 -2.467 121 HB2 ALA 17 HB2 ALA 17 -13.632 -9.825 -1.006 122 HB3 ALA 17 HB3 ALA 17 -14.331 -11.381 -1.453 123 H ARG 18 H ARG 18 -16.736 -12.220 -1.290 124 HA ARG 18 HA ARG 18 -18.447 -11.359 -3.387 125 HB2 ARG 18 HB2 ARG 18 -19.384 -13.691 -3.202 126 HB3 ARG 18 HB3 ARG 18 -17.648 -13.601 -3.462 127 HG2 ARG 18 HG2 ARG 18 -17.316 -14.852 -1.672 128 HG3 ARG 18 HG3 ARG 18 -18.095 -13.628 -0.667 129 HD2 ARG 18 HD2 ARG 18 -19.154 -15.832 -0.432 130 HD3 ARG 18 HD3 ARG 18 -20.264 -14.627 -1.082 131 HE ARG 18 HE ARG 18 -18.929 -16.155 -3.111 132 HH11 ARG 18 HH11 ARG 18 -21.632 -16.073 -0.919 133 HH12 ARG 18 HH12 ARG 18 -22.602 -17.149 -1.868 134 HH21 ARG 18 HH21 ARG 18 -20.197 -17.573 -4.370 135 HH22 ARG 18 HH22 ARG 18 -21.784 -18.003 -3.831 136 H SER 19 H SER 19 -18.892 -11.945 0.041 137 HA SER 19 HA SER 19 -21.677 -12.029 0.153 138 HB2 SER 19 HB2 SER 19 -20.332 -12.595 2.090 139 HB3 SER 19 HB3 SER 19 -19.697 -10.952 2.174 140 HG SER 19 HG SER 19 -21.452 -11.401 3.649 141 H THR 20 H THR 20 -19.499 -9.233 0.461 142 HA THR 20 HA THR 20 -21.434 -7.267 0.840 143 HB THR 20 HB THR 20 -18.882 -6.840 -0.715 144 HG1 THR 20 HG1 THR 20 -18.002 -6.430 1.443 145 HG21 THR 20 HG21 THR 20 -20.727 -5.029 -0.371 146 HG22 THR 20 HG22 THR 20 -19.035 -4.612 -0.098 147 HG23 THR 20 HG23 THR 20 -20.091 -4.956 1.271 148 H LEU 21 H LEU 21 -20.047 -8.524 -2.175 149 HA LEU 21 HA LEU 21 -21.415 -6.779 -3.913 150 HB2 LEU 21 HB2 LEU 21 -20.561 -9.588 -4.563 151 HB3 LEU 21 HB3 LEU 21 -20.750 -8.232 -5.673 152 HG LEU 21 HG LEU 21 -18.716 -8.040 -3.501 153 HD11 LEU 21 HD11 LEU 21 -17.434 -9.038 -5.804 154 HD12 LEU 21 HD12 LEU 21 -18.755 -10.144 -5.428 155 HD13 LEU 21 HD13 LEU 21 -17.537 -9.777 -4.206 156 HD21 LEU 21 HD21 LEU 21 -18.979 -7.016 -6.321 157 HD22 LEU 21 HD22 LEU 21 -17.527 -6.819 -5.340 158 HD23 LEU 21 HD23 LEU 21 -19.047 -6.087 -4.823 159 H ALA 22 H ALA 22 -22.334 -9.760 -2.352 160 HA ALA 22 HA ALA 22 -24.472 -10.581 -3.906 161 HB1 ALA 22 HB1 ALA 22 -23.380 -11.411 -1.565 162 HB2 ALA 22 HB2 ALA 22 -24.931 -10.775 -1.014 163 HB3 ALA 22 HB3 ALA 22 -24.882 -12.036 -2.246 164 H ASP 23 H ASP 23 -24.215 -7.855 -1.772 165 HA ASP 23 HA ASP 23 -26.906 -7.345 -1.241 166 HB2 ASP 23 HB2 ASP 23 -24.500 -5.554 -1.486 167 HB3 ASP 23 HB3 ASP 23 -26.096 -4.895 -1.139 168 H ALA 24 H ALA 24 -24.948 -6.634 -4.068 169 HA ALA 24 HA ALA 24 -27.271 -5.371 -5.355 170 HB1 ALA 24 HB1 ALA 24 -25.477 -4.748 -7.103 171 HB2 ALA 24 HB2 ALA 24 -25.491 -3.895 -5.559 172 HB3 ALA 24 HB3 ALA 24 -24.323 -5.185 -5.843 173 H GLY 25 H GLY 25 -25.177 -8.130 -5.442 174 HA2 GLY 25 HA2 GLY 25 -26.370 -10.065 -6.561 175 HA3 GLY 25 HA3 GLY 25 -26.440 -9.008 -7.962 176 H SER 26 H SER 26 -25.195 -11.638 -7.685 177 HA SER 26 HA SER 26 -22.427 -10.877 -8.350 178 HB2 SER 26 HB2 SER 26 -22.269 -13.538 -7.638 179 HB3 SER 26 HB3 SER 26 -21.826 -12.177 -6.608 180 HG SER 26 HG SER 26 -23.372 -12.811 -5.352 181 H ARG 27 H ARG 27 -22.014 -11.165 -10.428 182 HA ARG 27 HA ARG 27 -23.717 -12.761 -12.099 183 HB2 ARG 27 HB2 ARG 27 -22.506 -10.570 -12.710 184 HB3 ARG 27 HB3 ARG 27 -21.082 -11.577 -12.938 185 HG2 ARG 27 HG2 ARG 27 -23.191 -12.814 -14.340 186 HG3 ARG 27 HG3 ARG 27 -23.246 -11.093 -14.726 187 HD2 ARG 27 HD2 ARG 27 -21.061 -11.098 -15.571 188 HD3 ARG 27 HD3 ARG 27 -20.675 -12.636 -14.800 189 HE ARG 27 HE ARG 27 -21.919 -12.251 -17.347 190 HH11 ARG 27 HH11 ARG 27 -21.657 -14.403 -14.623 191 HH12 ARG 27 HH12 ARG 27 -22.076 -15.817 -15.533 192 HH21 ARG 27 HH21 ARG 27 -22.472 -14.105 -18.556 193 HH22 ARG 27 HH22 ARG 27 -22.539 -15.646 -17.770 194 H THR 28 H THR 28 -20.202 -12.853 -11.484 195 HA THR 28 HA THR 28 -19.980 -15.511 -12.552 196 HB THR 28 HB THR 28 -17.665 -15.346 -12.212 197 HG1 THR 28 HG1 THR 28 -18.254 -13.353 -10.260 198 HG21 THR 28 HG21 THR 28 -17.176 -13.521 -13.467 199 HG22 THR 28 HG22 THR 28 -18.052 -12.422 -12.402 200 HG23 THR 28 HG23 THR 28 -18.932 -13.401 -13.575 201 H ALA 29 H ALA 29 -19.878 -14.050 -9.327 202 HA ALA 29 HA ALA 29 -19.204 -16.328 -7.860 203 HB1 ALA 29 HB1 ALA 29 -21.069 -14.668 -6.420 204 HB2 ALA 29 HB2 ALA 29 -19.344 -14.918 -6.149 205 HB3 ALA 29 HB3 ALA 29 -19.888 -13.686 -7.288 206 H ALA 30 H ALA 30 -22.232 -15.334 -9.270 207 HA ALA 30 HA ALA 30 -24.024 -16.880 -7.797 208 HB1 ALA 30 HB1 ALA 30 -24.017 -15.659 -10.491 209 HB2 ALA 30 HB2 ALA 30 -25.209 -16.923 -10.188 210 HB3 ALA 30 HB3 ALA 30 -25.170 -15.486 -9.168 211 H LYS 31 H LYS 31 -21.902 -17.750 -10.460 212 HA LYS 31 HA LYS 31 -22.977 -20.463 -10.527 213 HB2 LYS 31 HB2 LYS 31 -22.471 -19.241 -12.644 214 HB3 LYS 31 HB3 LYS 31 -20.770 -19.247 -12.197 215 HG2 LYS 31 HG2 LYS 31 -21.264 -21.863 -12.001 216 HG3 LYS 31 HG3 LYS 31 -22.477 -21.434 -13.210 217 HD2 LYS 31 HD2 LYS 31 -20.908 -21.366 -14.783 218 HD3 LYS 31 HD3 LYS 31 -20.030 -20.133 -13.874 219 HE2 LYS 31 HE2 LYS 31 -18.654 -21.681 -12.852 220 HE3 LYS 31 HE3 LYS 31 -19.802 -23.000 -13.071 221 HZ1 LYS 31 HZ1 LYS 31 -18.773 -21.835 -15.515 222 HZ2 LYS 31 HZ2 LYS 31 -19.016 -23.458 -15.108 223 HZ3 LYS 31 HZ3 LYS 31 -17.627 -22.651 -14.575 224 H SER 32 H SER 32 -20.257 -18.675 -9.341 225 HA SER 32 HA SER 32 -18.722 -21.095 -8.803 226 HB2 SER 32 HB2 SER 32 -18.071 -18.352 -9.239 227 HB3 SER 32 HB3 SER 32 -17.514 -18.794 -7.626 228 HG SER 32 HG SER 32 -16.610 -19.612 -10.091 229 H HIS 33 H HIS 33 -17.562 -20.926 -6.516 230 HA HIS 33 HA HIS 33 -19.556 -20.266 -4.466 231 HB2 HIS 33 HB2 HIS 33 -18.829 -22.444 -3.309 232 HB3 HIS 33 HB3 HIS 33 -19.926 -22.578 -4.680 233 HD1 HIS 33 HD1 HIS 33 -16.588 -23.587 -3.492 234 HD2 HIS 33 HD2 HIS 33 -18.692 -23.568 -7.075 235 HE1 HIS 33 HE1 HIS 33 -15.308 -25.109 -5.032 236 HA PRO 34 HA PRO 34 -16.211 -18.580 -2.183 237 HB2 PRO 34 HB2 PRO 34 -16.960 -19.113 0.372 238 HB3 PRO 34 HB3 PRO 34 -17.759 -17.895 -0.629 239 HG2 PRO 34 HG2 PRO 34 -18.599 -20.706 -0.034 240 HG3 PRO 34 HG3 PRO 34 -19.582 -19.231 -0.083 241 HD2 PRO 34 HD2 PRO 34 -19.514 -21.005 -2.128 242 HD3 PRO 34 HD3 PRO 34 -19.741 -19.263 -2.383 243 H ILE 35 H ILE 35 -14.928 -19.249 0.028 244 HA ILE 35 HA ILE 35 -13.882 -21.951 -0.510 245 HB ILE 35 HB ILE 35 -12.421 -19.579 0.660 246 HG12 ILE 35 HG12 ILE 35 -12.093 -20.938 -2.024 247 HG13 ILE 35 HG13 ILE 35 -12.905 -19.397 -1.770 248 HG21 ILE 35 HG21 ILE 35 -11.633 -21.690 1.581 249 HG22 ILE 35 HG22 ILE 35 -11.429 -22.338 -0.046 250 HG23 ILE 35 HG23 ILE 35 -10.427 -20.992 0.500 251 HD11 ILE 35 HD11 ILE 35 -10.199 -19.840 -2.293 252 HD12 ILE 35 HD12 ILE 35 -10.980 -18.316 -1.868 253 HD13 ILE 35 HD13 ILE 35 -10.287 -19.334 -0.606 254 H HIS 36 H HIS 36 -14.085 -23.416 1.045 255 HA HIS 36 HA HIS 36 -14.271 -22.529 3.836 256 HB2 HIS 36 HB2 HIS 36 -16.063 -24.254 4.200 257 HB3 HIS 36 HB3 HIS 36 -16.559 -22.881 3.214 258 HD1 HIS 36 HD1 HIS 36 -15.814 -26.548 3.002 259 HD2 HIS 36 HD2 HIS 36 -17.228 -23.484 0.578 260 HE1 HIS 36 HE1 HIS 36 -16.707 -27.679 0.942 261 H GLY 37 H GLY 37 -13.889 -24.296 5.395 262 HA2 GLY 37 HA2 GLY 37 -12.512 -25.948 6.200 263 HA3 GLY 37 HA3 GLY 37 -12.975 -26.837 4.756 264 H LYS 38 H LYS 38 -11.234 -23.788 4.735 265 HA LYS 38 HA LYS 38 -8.832 -25.229 3.822 266 HB2 LYS 38 HB2 LYS 38 -10.268 -22.910 2.624 267 HB3 LYS 38 HB3 LYS 38 -8.513 -22.928 2.521 268 HG2 LYS 38 HG2 LYS 38 -9.286 -25.485 1.754 269 HG3 LYS 38 HG3 LYS 38 -10.463 -24.409 0.999 270 HD2 LYS 38 HD2 LYS 38 -8.767 -23.195 -0.125 271 HD3 LYS 38 HD3 LYS 38 -7.493 -23.941 0.843 272 HE2 LYS 38 HE2 LYS 38 -8.339 -26.158 -0.178 273 HE3 LYS 38 HE3 LYS 38 -9.127 -25.128 -1.372 274 HZ1 LYS 38 HZ1 LYS 38 -6.839 -24.095 -1.670 275 HZ2 LYS 38 HZ2 LYS 38 -7.071 -25.647 -2.300 276 HZ3 LYS 38 HZ3 LYS 38 -6.237 -25.442 -0.843 277 H THR 39 H THR 39 -6.830 -23.834 3.966 278 HA THR 39 HA THR 39 -6.838 -22.484 6.568 279 HB THR 39 HB THR 39 -4.272 -23.033 5.180 280 HG1 THR 39 HG1 THR 39 -4.363 -25.224 5.670 281 HG21 THR 39 HG21 THR 39 -4.688 -23.965 7.918 282 HG22 THR 39 HG22 THR 39 -5.019 -22.245 7.704 283 HG23 THR 39 HG23 THR 39 -3.444 -22.903 7.261 284 H ASP 40 H ASP 40 -5.740 -22.055 3.227 285 HA ASP 40 HA ASP 40 -6.237 -19.299 3.181 286 HB2 ASP 40 HB2 ASP 40 -3.690 -18.692 2.940 287 HB3 ASP 40 HB3 ASP 40 -4.443 -18.753 4.531 288 H VAL 41 H VAL 41 -6.252 -18.579 1.117 289 HA VAL 41 HA VAL 41 -5.122 -20.380 -0.924 290 HB VAL 41 HB VAL 41 -6.834 -19.260 -2.453 291 HG11 VAL 41 HG11 VAL 41 -8.044 -21.116 -2.192 292 HG12 VAL 41 HG12 VAL 41 -6.957 -21.506 -0.857 293 HG13 VAL 41 HG13 VAL 41 -8.489 -20.691 -0.540 294 HG21 VAL 41 HG21 VAL 41 -8.557 -18.002 -1.603 295 HG22 VAL 41 HG22 VAL 41 -8.396 -18.676 0.019 296 HG23 VAL 41 HG23 VAL 41 -7.232 -17.484 -0.560 297 HA PRO 42 HA PRO 42 -2.539 -17.180 -2.460 298 HB2 PRO 42 HB2 PRO 42 -2.561 -17.703 -5.123 299 HB3 PRO 42 HB3 PRO 42 -1.714 -18.719 -3.952 300 HG2 PRO 42 HG2 PRO 42 -4.396 -19.123 -5.220 301 HG3 PRO 42 HG3 PRO 42 -3.105 -20.304 -4.932 302 HD2 PRO 42 HD2 PRO 42 -5.278 -20.102 -3.330 303 HD3 PRO 42 HD3 PRO 42 -3.682 -20.585 -2.719 304 H VAL 43 H VAL 43 -2.513 -15.192 -3.575 305 HA VAL 43 HA VAL 43 -4.837 -13.707 -3.592 306 HB VAL 43 HB VAL 43 -2.712 -12.594 -3.608 307 HG11 VAL 43 HG11 VAL 43 -2.138 -14.399 -5.742 308 HG12 VAL 43 HG12 VAL 43 -1.857 -12.747 -6.294 309 HG13 VAL 43 HG13 VAL 43 -1.037 -13.348 -4.853 310 HG21 VAL 43 HG21 VAL 43 -3.522 -11.645 -6.247 311 HG22 VAL 43 HG22 VAL 43 -4.866 -11.812 -5.117 312 HG23 VAL 43 HG23 VAL 43 -3.485 -10.798 -4.700 313 H SER 44 H SER 44 -3.512 -15.741 -6.101 314 HA SER 44 HA SER 44 -4.880 -14.798 -8.328 315 HB2 SER 44 HB2 SER 44 -3.302 -17.058 -7.687 316 HB3 SER 44 HB3 SER 44 -4.793 -17.671 -8.401 317 HG SER 44 HG SER 44 -3.295 -15.575 -9.571 318 H TYR 45 H TYR 45 -5.987 -16.783 -5.671 319 HA TYR 45 HA TYR 45 -8.435 -17.589 -6.902 320 HB2 TYR 45 HB2 TYR 45 -7.127 -18.587 -4.838 321 HB3 TYR 45 HB3 TYR 45 -8.129 -17.460 -3.930 322 HD1 TYR 45 HD1 TYR 45 -7.924 -20.742 -4.787 323 HD2 TYR 45 HD2 TYR 45 -10.719 -17.538 -4.956 324 HE1 TYR 45 HE1 TYR 45 -9.773 -22.365 -4.826 325 HE2 TYR 45 HE2 TYR 45 -12.575 -19.152 -4.994 326 HH TYR 45 HH TYR 45 -12.147 -22.463 -4.303 327 H GLY 46 H GLY 46 -7.603 -15.142 -4.453 328 HA2 GLY 46 HA2 GLY 46 -10.234 -14.129 -4.179 329 HA3 GLY 46 HA3 GLY 46 -8.758 -13.307 -3.692 330 H THR 47 H THR 47 -7.551 -13.252 -6.290 331 HA THR 47 HA THR 47 -8.508 -10.822 -7.254 332 HB THR 47 HB THR 47 -7.209 -11.433 -9.374 333 HG1 THR 47 HG1 THR 47 -6.119 -13.327 -9.385 334 HG21 THR 47 HG21 THR 47 -6.124 -11.201 -6.613 335 HG22 THR 47 HG22 THR 47 -5.963 -10.105 -7.985 336 HG23 THR 47 HG23 THR 47 -5.000 -11.581 -7.917 337 H SER 48 H SER 48 -9.354 -14.110 -8.134 338 HA SER 48 HA SER 48 -10.678 -13.654 -10.538 339 HB2 SER 48 HB2 SER 48 -10.206 -15.853 -9.016 340 HB3 SER 48 HB3 SER 48 -11.934 -15.636 -8.741 341 HG SER 48 HG SER 48 -10.863 -15.556 -11.346 342 H LEU 49 H LEU 49 -11.865 -13.415 -7.215 343 HA LEU 49 HA LEU 49 -14.548 -12.784 -7.989 344 HB2 LEU 49 HB2 LEU 49 -13.411 -13.662 -5.700 345 HB3 LEU 49 HB3 LEU 49 -13.604 -11.951 -5.325 346 HG LEU 49 HG LEU 49 -16.055 -12.912 -6.411 347 HD11 LEU 49 HD11 LEU 49 -16.653 -14.637 -4.854 348 HD12 LEU 49 HD12 LEU 49 -15.076 -14.539 -4.071 349 HD13 LEU 49 HD13 LEU 49 -15.204 -15.139 -5.724 350 HD21 LEU 49 HD21 LEU 49 -16.924 -11.756 -4.672 351 HD22 LEU 49 HD22 LEU 49 -15.285 -11.110 -4.582 352 HD23 LEU 49 HD23 LEU 49 -15.776 -12.423 -3.510 353 H LEU 50 H LEU 50 -11.708 -10.932 -7.016 354 HA LEU 50 HA LEU 50 -12.906 -8.423 -6.742 355 HB2 LEU 50 HB2 LEU 50 -10.341 -9.453 -6.601 356 HB3 LEU 50 HB3 LEU 50 -10.262 -8.305 -7.937 357 HG LEU 50 HG LEU 50 -11.057 -7.714 -5.088 358 HD11 LEU 50 HD11 LEU 50 -9.007 -6.061 -5.723 359 HD12 LEU 50 HD12 LEU 50 -8.573 -7.504 -6.638 360 HD13 LEU 50 HD13 LEU 50 -8.824 -7.607 -4.895 361 HD21 LEU 50 HD21 LEU 50 -10.709 -5.320 -6.408 362 HD22 LEU 50 HD22 LEU 50 -12.253 -6.040 -5.949 363 HD23 LEU 50 HD23 LEU 50 -11.604 -6.300 -7.569 364 H ALA 51 H ALA 51 -11.328 -9.867 -9.589 365 HA ALA 51 HA ALA 51 -11.963 -7.697 -11.317 366 HB1 ALA 51 HB1 ALA 51 -10.641 -10.285 -11.534 367 HB2 ALA 51 HB2 ALA 51 -11.555 -9.845 -12.977 368 HB3 ALA 51 HB3 ALA 51 -10.303 -8.765 -12.363 369 H ALA 52 H ALA 52 -13.541 -10.726 -10.500 370 HA ALA 52 HA ALA 52 -15.413 -10.849 -12.570 371 HB1 ALA 52 HB1 ALA 52 -15.522 -12.781 -11.417 372 HB2 ALA 52 HB2 ALA 52 -15.157 -12.007 -9.874 373 HB3 ALA 52 HB3 ALA 52 -16.793 -11.942 -10.528 374 H ALA 53 H ALA 53 -15.660 -9.311 -9.372 375 HA ALA 53 HA ALA 53 -18.288 -8.298 -9.820 376 HB1 ALA 53 HB1 ALA 53 -16.279 -8.173 -7.697 377 HB2 ALA 53 HB2 ALA 53 -17.275 -6.724 -7.836 378 HB3 ALA 53 HB3 ALA 53 -18.035 -8.297 -7.595 379 H ARG 54 H ARG 54 -15.032 -6.971 -10.145 380 HA ARG 54 HA ARG 54 -15.689 -4.294 -10.571 381 HB2 ARG 54 HB2 ARG 54 -13.422 -4.624 -10.288 382 HB3 ARG 54 HB3 ARG 54 -13.388 -6.034 -11.338 383 HG2 ARG 54 HG2 ARG 54 -13.124 -4.798 -13.226 384 HG3 ARG 54 HG3 ARG 54 -14.018 -3.420 -12.582 385 HD2 ARG 54 HD2 ARG 54 -12.160 -2.448 -11.813 386 HD3 ARG 54 HD3 ARG 54 -11.573 -3.952 -11.104 387 HE ARG 54 HE ARG 54 -11.242 -4.100 -13.876 388 HH11 ARG 54 HH11 ARG 54 -10.009 -2.315 -11.153 389 HH12 ARG 54 HH12 ARG 54 -8.456 -2.040 -11.870 390 HH21 ARG 54 HH21 ARG 54 -9.201 -3.745 -14.831 391 HH22 ARG 54 HH22 ARG 54 -7.998 -2.854 -13.963 392 H ASP 55 H ASP 55 -15.126 -6.846 -12.997 393 HA ASP 55 HA ASP 55 -15.845 -5.261 -15.219 394 HB2 ASP 55 HB2 ASP 55 -14.586 -7.558 -15.081 395 HB3 ASP 55 HB3 ASP 55 -16.206 -8.235 -15.224 396 H GLU 56 H GLU 56 -17.694 -7.307 -13.049 397 HA GLU 56 HA GLU 56 -20.073 -7.398 -14.570 398 HB2 GLU 56 HB2 GLU 56 -19.809 -8.996 -12.829 399 HB3 GLU 56 HB3 GLU 56 -19.520 -7.745 -11.628 400 HG2 GLU 56 HG2 GLU 56 -22.127 -7.807 -13.065 401 HG3 GLU 56 HG3 GLU 56 -21.825 -8.958 -11.765 402 H PHE 57 H PHE 57 -19.029 -5.274 -11.921 403 HA PHE 57 HA PHE 57 -21.365 -3.737 -11.756 404 HB2 PHE 57 HB2 PHE 57 -18.492 -3.111 -11.080 405 HB3 PHE 57 HB3 PHE 57 -19.805 -1.980 -10.769 406 HD1 PHE 57 HD1 PHE 57 -17.775 -3.751 -8.970 407 HD2 PHE 57 HD2 PHE 57 -21.934 -3.813 -9.877 408 HE1 PHE 57 HE1 PHE 57 -18.223 -4.870 -6.825 409 HE2 PHE 57 HE2 PHE 57 -22.388 -4.931 -7.734 410 HZ PHE 57 HZ PHE 57 -20.532 -5.461 -6.204 411 H ARG 58 H ARG 58 -18.657 -3.603 -13.948 412 HA ARG 58 HA ARG 58 -18.934 -1.022 -14.957 413 HB2 ARG 58 HB2 ARG 58 -17.033 -2.467 -15.496 414 HB3 ARG 58 HB3 ARG 58 -18.089 -3.534 -16.412 415 HG2 ARG 58 HG2 ARG 58 -18.619 -1.428 -17.809 416 HG3 ARG 58 HG3 ARG 58 -17.144 -0.781 -17.086 417 HD2 ARG 58 HD2 ARG 58 -16.998 -3.506 -18.234 418 HD3 ARG 58 HD3 ARG 58 -17.161 -2.169 -19.372 419 HE ARG 58 HE ARG 58 -14.869 -2.793 -17.730 420 HH11 ARG 58 HH11 ARG 58 -16.512 -0.373 -19.618 421 HH12 ARG 58 HH12 ARG 58 -15.083 0.566 -19.897 422 HH21 ARG 58 HH21 ARG 58 -12.981 -1.565 -18.091 423 HH22 ARG 58 HH22 ARG 58 -13.075 -0.113 -19.029 424 H GLN 59 H GLN 59 -20.702 -3.967 -15.700 425 HA GLN 59 HA GLN 59 -22.093 -2.867 -17.947 426 HB2 GLN 59 HB2 GLN 59 -21.836 -5.232 -17.896 427 HB3 GLN 59 HB3 GLN 59 -22.507 -5.341 -16.275 428 HG2 GLN 59 HG2 GLN 59 -24.200 -4.249 -18.465 429 HG3 GLN 59 HG3 GLN 59 -23.927 -5.989 -18.372 430 HE21 GLN 59 HE21 GLN 59 -23.955 -6.541 -15.768 431 HE22 GLN 59 HE22 GLN 59 -25.473 -6.127 -15.055 432 H ALA 60 H ALA 60 -22.760 -3.236 -14.511 433 HA ALA 60 HA ALA 60 -25.473 -2.620 -14.480 434 HB1 ALA 60 HB1 ALA 60 -24.354 -3.444 -12.513 435 HB2 ALA 60 HB2 ALA 60 -23.356 -1.993 -12.427 436 HB3 ALA 60 HB3 ALA 60 -25.094 -1.885 -12.148 437 H ASP 61 H ASP 61 -22.666 -0.452 -14.354 438 HA ASP 61 HA ASP 61 -24.436 1.869 -14.516 439 HB2 ASP 61 HB2 ASP 61 -22.564 3.199 -13.916 440 HB3 ASP 61 HB3 ASP 61 -22.472 1.759 -12.906 441 H LYS 62 H LYS 62 -24.248 0.112 -16.774 442 HA LYS 62 HA LYS 62 -22.523 1.317 -18.730 443 HB2 LYS 62 HB2 LYS 62 -23.203 -1.079 -18.794 444 HB3 LYS 62 HB3 LYS 62 -24.848 -0.570 -19.149 445 HG2 LYS 62 HG2 LYS 62 -23.899 0.603 -21.182 446 HG3 LYS 62 HG3 LYS 62 -22.403 -0.279 -20.866 447 HD2 LYS 62 HD2 LYS 62 -24.698 -2.035 -20.788 448 HD3 LYS 62 HD3 LYS 62 -24.603 -1.172 -22.324 449 HE2 LYS 62 HE2 LYS 62 -22.587 -2.121 -22.887 450 HE3 LYS 62 HE3 LYS 62 -22.128 -2.400 -21.208 451 HZ1 LYS 62 HZ1 LYS 62 -24.456 -3.871 -22.093 452 HZ2 LYS 62 HZ2 LYS 62 -23.129 -4.389 -21.182 453 HZ3 LYS 62 HZ3 LYS 62 -23.015 -4.305 -22.867 454 H LYS 63 H LYS 63 -25.879 1.615 -17.770 455 HA LYS 63 HA LYS 63 -26.713 3.139 -20.029 456 HB2 LYS 63 HB2 LYS 63 -28.668 3.723 -18.536 457 HB3 LYS 63 HB3 LYS 63 -28.409 2.006 -18.814 458 HG2 LYS 63 HG2 LYS 63 -28.130 1.606 -16.648 459 HG3 LYS 63 HG3 LYS 63 -26.992 2.944 -16.470 460 HD2 LYS 63 HD2 LYS 63 -28.692 4.484 -16.024 461 HD3 LYS 63 HD3 LYS 63 -29.943 3.438 -16.699 462 HE2 LYS 63 HE2 LYS 63 -29.859 1.982 -14.835 463 HE3 LYS 63 HE3 LYS 63 -28.366 2.710 -14.243 464 HZ1 LYS 63 HZ1 LYS 63 -30.404 4.664 -14.478 465 HZ2 LYS 63 HZ2 LYS 63 -29.525 4.200 -13.110 466 HZ3 LYS 63 HZ3 LYS 63 -30.944 3.377 -13.522 467 H LEU 64 H LEU 64 -25.099 3.882 -17.062 468 HA LEU 64 HA LEU 64 -25.682 6.707 -17.161 469 HB2 LEU 64 HB2 LEU 64 -23.481 5.515 -15.530 470 HB3 LEU 64 HB3 LEU 64 -24.516 6.895 -15.168 471 HG LEU 64 HG LEU 64 -25.439 4.023 -15.152 472 HD11 LEU 64 HD11 LEU 64 -23.989 5.588 -13.177 473 HD12 LEU 64 HD12 LEU 64 -24.324 3.858 -13.231 474 HD13 LEU 64 HD13 LEU 64 -25.524 4.968 -12.569 475 HD21 LEU 64 HD21 LEU 64 -27.020 6.093 -15.518 476 HD22 LEU 64 HD22 LEU 64 -26.823 6.271 -13.774 477 HD23 LEU 64 HD23 LEU 64 -27.480 4.775 -14.440 478 HA PRO 65 HA PRO 65 -22.373 8.029 -19.726 479 HB2 PRO 65 HB2 PRO 65 -21.781 10.433 -18.612 480 HB3 PRO 65 HB3 PRO 65 -23.248 10.147 -19.555 481 HG2 PRO 65 HG2 PRO 65 -22.886 10.199 -16.584 482 HG3 PRO 65 HG3 PRO 65 -24.186 10.900 -17.565 483 HD2 PRO 65 HD2 PRO 65 -24.464 8.555 -16.241 484 HD3 PRO 65 HD3 PRO 65 -25.282 8.884 -17.782 485 H ALA 66 H ALA 66 -20.090 8.627 -19.743 486 HA ALA 66 HA ALA 66 -18.561 7.087 -17.931 487 HB1 ALA 66 HB1 ALA 66 -18.040 7.786 -20.366 488 HB2 ALA 66 HB2 ALA 66 -17.358 9.237 -19.629 489 HB3 ALA 66 HB3 ALA 66 -16.714 7.649 -19.211 490 H LYS 67 H LYS 67 -19.435 10.469 -18.052 491 HA LYS 67 HA LYS 67 -17.517 11.399 -16.176 492 HB2 LYS 67 HB2 LYS 67 -18.732 13.441 -16.169 493 HB3 LYS 67 HB3 LYS 67 -18.829 12.814 -17.809 494 HG2 LYS 67 HG2 LYS 67 -21.067 11.746 -16.797 495 HG3 LYS 67 HG3 LYS 67 -20.947 13.191 -15.791 496 HD2 LYS 67 HD2 LYS 67 -20.752 13.260 -18.795 497 HD3 LYS 67 HD3 LYS 67 -22.278 13.435 -17.927 498 HE2 LYS 67 HE2 LYS 67 -21.852 15.573 -17.484 499 HE3 LYS 67 HE3 LYS 67 -20.274 15.171 -16.808 500 HZ1 LYS 67 HZ1 LYS 67 -19.239 15.779 -18.675 501 HZ2 LYS 67 HZ2 LYS 67 -20.669 16.598 -19.057 502 HZ3 LYS 67 HZ3 LYS 67 -20.385 15.053 -19.686 503 H ASP 68 H ASP 68 -20.646 9.898 -15.894 504 HA ASP 68 HA ASP 68 -20.792 10.476 -13.037 505 HB2 ASP 68 HB2 ASP 68 -22.701 9.106 -14.936 506 HB3 ASP 68 HB3 ASP 68 -22.987 9.244 -13.203 507 H LYS 69 H LYS 69 -18.664 8.793 -14.040 508 HA LYS 69 HA LYS 69 -18.986 6.593 -12.221 509 HB2 LYS 69 HB2 LYS 69 -18.619 4.807 -13.835 510 HB3 LYS 69 HB3 LYS 69 -20.089 5.689 -14.227 511 HG2 LYS 69 HG2 LYS 69 -19.016 6.826 -16.027 512 HG3 LYS 69 HG3 LYS 69 -17.437 6.194 -15.554 513 HD2 LYS 69 HD2 LYS 69 -17.964 4.748 -17.252 514 HD3 LYS 69 HD3 LYS 69 -18.642 3.874 -15.877 515 HE2 LYS 69 HE2 LYS 69 -20.846 4.800 -16.367 516 HE3 LYS 69 HE3 LYS 69 -20.173 5.704 -17.723 517 HZ1 LYS 69 HZ1 LYS 69 -21.043 3.007 -17.630 518 HZ2 LYS 69 HZ2 LYS 69 -19.427 3.082 -18.124 519 HZ3 LYS 69 HZ3 LYS 69 -20.611 3.943 -18.972 520 H LYS 70 H LYS 70 -17.053 5.881 -11.459 521 HA LYS 70 HA LYS 70 -14.700 7.352 -12.289 522 HB2 LYS 70 HB2 LYS 70 -15.083 7.097 -9.917 523 HB3 LYS 70 HB3 LYS 70 -15.163 5.347 -10.076 524 HG2 LYS 70 HG2 LYS 70 -13.036 6.057 -9.136 525 HG3 LYS 70 HG3 LYS 70 -12.812 5.283 -10.707 526 HD2 LYS 70 HD2 LYS 70 -11.410 7.225 -10.619 527 HD3 LYS 70 HD3 LYS 70 -12.735 7.552 -11.738 528 HE2 LYS 70 HE2 LYS 70 -13.793 8.998 -10.253 529 HE3 LYS 70 HE3 LYS 70 -12.940 8.342 -8.856 530 HZ1 LYS 70 HZ1 LYS 70 -12.262 10.627 -9.879 531 HZ2 LYS 70 HZ2 LYS 70 -11.386 9.667 -10.962 532 HZ3 LYS 70 HZ3 LYS 70 -11.079 9.564 -9.302 533 H SER 71 H SER 71 -13.335 6.647 -13.779 534 HA SER 71 HA SER 71 -12.042 5.273 -15.058 535 HB2 SER 71 HB2 SER 71 -12.395 3.813 -12.614 536 HB3 SER 71 HB3 SER 71 -12.447 2.687 -13.971 537 HG SER 71 HG SER 71 -10.316 3.687 -12.888 538 H ASP 72 H ASP 72 -14.513 2.929 -14.051 539 HA ASP 72 HA ASP 72 -15.968 3.159 -16.516 540 HB2 ASP 72 HB2 ASP 72 -14.039 0.908 -16.077 541 HB3 ASP 72 HB3 ASP 72 -15.528 0.614 -16.970 542 H MET 73 H MET 73 -16.383 3.196 -13.589 543 HA MET 73 HA MET 73 -18.698 1.450 -13.550 544 HB2 MET 73 HB2 MET 73 -18.096 0.491 -11.335 545 HB3 MET 73 HB3 MET 73 -17.038 -0.040 -12.635 546 HG2 MET 73 HG2 MET 73 -15.693 2.128 -11.730 547 HG3 MET 73 HG3 MET 73 -16.447 1.550 -10.246 548 HE1 MET 73 HE1 MET 73 -16.547 -1.627 -11.521 549 HE2 MET 73 HE2 MET 73 -15.224 -2.299 -10.569 550 HE3 MET 73 HE3 MET 73 -16.420 -1.253 -9.802 551 H SER 74 H SER 74 -20.273 2.069 -12.036 552 HA SER 74 HA SER 74 -20.376 4.825 -11.461 553 HB2 SER 74 HB2 SER 74 -22.430 3.619 -11.788 554 HB3 SER 74 HB3 SER 74 -22.055 2.515 -10.464 555 HG SER 74 HG SER 74 -23.438 4.012 -9.636 556 H ILE 75 H ILE 75 -20.117 5.976 -9.581 557 HA ILE 75 HA ILE 75 -18.132 5.274 -7.805 558 HB ILE 75 HB ILE 75 -20.450 7.141 -7.289 559 HG12 ILE 75 HG12 ILE 75 -18.265 8.698 -7.772 560 HG13 ILE 75 HG13 ILE 75 -17.952 7.339 -8.846 561 HG21 ILE 75 HG21 ILE 75 -18.006 6.482 -5.745 562 HG22 ILE 75 HG22 ILE 75 -18.498 8.173 -5.813 563 HG23 ILE 75 HG23 ILE 75 -19.608 6.957 -5.184 564 HD11 ILE 75 HD11 ILE 75 -19.755 7.797 -10.171 565 HD12 ILE 75 HD12 ILE 75 -20.645 8.595 -8.874 566 HD13 ILE 75 HD13 ILE 75 -19.301 9.423 -9.660 567 H ALA 76 H ALA 76 -21.584 4.649 -7.601 568 HA ALA 76 HA ALA 76 -21.621 3.772 -4.908 569 HB1 ALA 76 HB1 ALA 76 -23.777 4.038 -5.402 570 HB2 ALA 76 HB2 ALA 76 -23.480 3.892 -7.134 571 HB3 ALA 76 HB3 ALA 76 -23.696 2.444 -6.152 572 H HIS 77 H HIS 77 -21.154 2.108 -7.987 573 HA HIS 77 HA HIS 77 -21.088 -0.506 -6.809 574 HB2 HIS 77 HB2 HIS 77 -20.093 0.361 -9.530 575 HB3 HIS 77 HB3 HIS 77 -20.459 -1.284 -9.021 576 HD1 HIS 77 HD1 HIS 77 -21.842 0.073 -11.458 577 HD2 HIS 77 HD2 HIS 77 -23.423 -0.110 -7.621 578 HE1 HIS 77 HE1 HIS 77 -24.328 0.321 -11.743 579 H TYR 78 H TYR 78 -18.716 1.912 -7.737 580 HA TYR 78 HA TYR 78 -16.393 0.391 -7.637 581 HB2 TYR 78 HB2 TYR 78 -16.714 2.858 -8.310 582 HB3 TYR 78 HB3 TYR 78 -16.517 3.214 -6.597 583 HD1 TYR 78 HD1 TYR 78 -14.836 2.878 -9.653 584 HD2 TYR 78 HD2 TYR 78 -14.375 2.107 -5.495 585 HE1 TYR 78 HE1 TYR 78 -12.393 2.850 -9.936 586 HE2 TYR 78 HE2 TYR 78 -11.930 2.079 -5.765 587 HH TYR 78 HH TYR 78 -10.320 3.347 -8.080 588 H ASN 79 H ASN 79 -18.285 1.812 -5.039 589 HA ASN 79 HA ASN 79 -16.418 1.409 -2.960 590 HB2 ASN 79 HB2 ASN 79 -19.364 1.904 -3.096 591 HB3 ASN 79 HB3 ASN 79 -18.663 1.385 -1.566 592 HD21 ASN 79 HD21 ASN 79 -19.733 3.994 -2.955 593 HD22 ASN 79 HD22 ASN 79 -18.618 5.184 -2.386 594 H ALA 80 H ALA 80 -18.829 -0.656 -4.440 595 HA ALA 80 HA ALA 80 -18.779 -2.696 -2.458 596 HB1 ALA 80 HB1 ALA 80 -20.513 -3.425 -3.631 597 HB2 ALA 80 HB2 ALA 80 -20.206 -2.174 -4.836 598 HB3 ALA 80 HB3 ALA 80 -19.468 -3.766 -5.010 599 H VAL 81 H VAL 81 -17.280 -2.459 -5.685 600 HA VAL 81 HA VAL 81 -15.838 -4.878 -5.497 601 HB VAL 81 HB VAL 81 -16.298 -3.705 -7.634 602 HG11 VAL 81 HG11 VAL 81 -15.819 -1.423 -6.830 603 HG12 VAL 81 HG12 VAL 81 -14.102 -1.828 -6.765 604 HG13 VAL 81 HG13 VAL 81 -14.949 -1.816 -8.313 605 HG21 VAL 81 HG21 VAL 81 -13.356 -3.857 -7.620 606 HG22 VAL 81 HG22 VAL 81 -14.198 -5.277 -6.999 607 HG23 VAL 81 HG23 VAL 81 -14.532 -4.697 -8.631 608 H HIS 82 H HIS 82 -15.069 -1.564 -4.600 609 HA HIS 82 HA HIS 82 -12.312 -2.008 -4.082 610 HB2 HIS 82 HB2 HIS 82 -13.194 0.237 -4.481 611 HB3 HIS 82 HB3 HIS 82 -14.174 0.128 -3.022 612 HD1 HIS 82 HD1 HIS 82 -10.538 0.253 -4.073 613 HD2 HIS 82 HD2 HIS 82 -12.916 0.936 -0.736 614 HE1 HIS 82 HE1 HIS 82 -9.009 1.269 -2.355 615 H SER 83 H SER 83 -15.231 -2.244 -2.140 616 HA SER 83 HA SER 83 -14.040 -2.440 0.391 617 HB2 SER 83 HB2 SER 83 -16.664 -3.257 -0.778 618 HB3 SER 83 HB3 SER 83 -16.221 -3.899 0.804 619 HG SER 83 HG SER 83 -17.272 -1.574 0.320 620 H ALA 84 H ALA 84 -14.659 -4.856 -2.092 621 HA ALA 84 HA ALA 84 -13.958 -7.107 -0.493 622 HB1 ALA 84 HB1 ALA 84 -13.556 -7.973 -3.029 623 HB2 ALA 84 HB2 ALA 84 -15.129 -7.916 -2.232 624 HB3 ALA 84 HB3 ALA 84 -14.636 -6.607 -3.307 625 H ALA 85 H ALA 85 -12.211 -5.243 -2.970 626 HA ALA 85 HA ALA 85 -9.834 -6.685 -2.967 627 HB1 ALA 85 HB1 ALA 85 -9.874 -3.704 -3.279 628 HB2 ALA 85 HB2 ALA 85 -8.872 -4.896 -4.109 629 HB3 ALA 85 HB3 ALA 85 -10.588 -4.763 -4.496 630 H LYS 86 H LYS 86 -10.969 -4.180 -0.778 631 HA LYS 86 HA LYS 86 -8.515 -3.742 0.561 632 HB2 LYS 86 HB2 LYS 86 -11.123 -2.708 0.681 633 HB3 LYS 86 HB3 LYS 86 -10.801 -3.356 2.284 634 HG2 LYS 86 HG2 LYS 86 -8.559 -1.832 1.270 635 HG3 LYS 86 HG3 LYS 86 -10.045 -0.880 1.316 636 HD2 LYS 86 HD2 LYS 86 -10.277 -1.124 3.616 637 HD3 LYS 86 HD3 LYS 86 -9.239 -2.551 3.668 638 HE2 LYS 86 HE2 LYS 86 -7.935 -0.108 2.691 639 HE3 LYS 86 HE3 LYS 86 -8.464 -0.041 4.371 640 HZ1 LYS 86 HZ1 LYS 86 -6.389 -1.670 3.141 641 HZ2 LYS 86 HZ2 LYS 86 -7.307 -2.417 4.349 642 HZ3 LYS 86 HZ3 LYS 86 -6.460 -0.994 4.691 643 H THR 87 H THR 87 -11.151 -6.019 1.042 644 HA THR 87 HA THR 87 -10.195 -7.007 3.548 645 HB THR 87 HB THR 87 -11.986 -8.572 1.709 646 HG1 THR 87 HG1 THR 87 -13.647 -7.262 3.031 647 HG21 THR 87 HG21 THR 87 -11.873 -8.248 4.710 648 HG22 THR 87 HG22 THR 87 -11.285 -9.635 3.794 649 HG23 THR 87 HG23 THR 87 -13.009 -9.268 3.829 650 H MET 88 H MET 88 -9.781 -7.923 0.179 651 HA MET 88 HA MET 88 -8.385 -10.364 0.826 652 HB2 MET 88 HB2 MET 88 -8.896 -8.902 -1.761 653 HB3 MET 88 HB3 MET 88 -7.922 -10.363 -1.675 654 HG2 MET 88 HG2 MET 88 -9.813 -11.608 -0.820 655 HG3 MET 88 HG3 MET 88 -10.795 -10.145 -0.808 656 HE1 MET 88 HE1 MET 88 -10.923 -8.665 -3.341 657 HE2 MET 88 HE2 MET 88 -12.006 -9.677 -4.298 658 HE3 MET 88 HE3 MET 88 -12.279 -9.484 -2.565 659 H GLY 89 H GLY 89 -7.588 -7.050 0.365 660 HA2 GLY 89 HA2 GLY 89 -5.574 -5.973 0.714 661 HA3 GLY 89 HA3 GLY 89 -4.848 -7.536 1.062 662 H ILE 90 H ILE 90 -6.571 -6.928 -1.910 663 HA ILE 90 HA ILE 90 -4.112 -7.426 -3.395 664 HB ILE 90 HB ILE 90 -6.929 -7.163 -4.449 665 HG12 ILE 90 HG12 ILE 90 -5.365 -9.689 -3.886 666 HG13 ILE 90 HG13 ILE 90 -6.603 -9.040 -2.816 667 HG21 ILE 90 HG21 ILE 90 -5.875 -7.067 -6.413 668 HG22 ILE 90 HG22 ILE 90 -4.327 -7.510 -5.696 669 HG23 ILE 90 HG23 ILE 90 -5.477 -8.765 -6.156 670 HD11 ILE 90 HD11 ILE 90 -7.169 -9.712 -5.681 671 HD12 ILE 90 HD12 ILE 90 -7.287 -10.904 -4.386 672 HD13 ILE 90 HD13 ILE 90 -8.310 -9.468 -4.359 673 H ASP 91 H ASP 91 -3.273 -6.051 -4.949 674 HA ASP 91 HA ASP 91 -4.197 -3.265 -4.761 675 HB2 ASP 91 HB2 ASP 91 -1.490 -4.422 -5.439 676 HB3 ASP 91 HB3 ASP 91 -1.887 -2.715 -5.616 677 H THR 92 H THR 92 -2.494 -5.282 -7.162 678 HA THR 92 HA THR 92 -4.162 -4.030 -9.245 679 HB THR 92 HB THR 92 -1.965 -3.375 -9.736 680 HG1 THR 92 HG1 THR 92 -1.700 -4.300 -11.695 681 HG21 THR 92 HG21 THR 92 -1.072 -6.211 -9.199 682 HG22 THR 92 HG22 THR 92 -0.825 -4.834 -8.126 683 HG23 THR 92 HG23 THR 92 -0.036 -4.876 -9.703 684 H TRP 93 H TRP 93 -5.799 -5.462 -9.507 685 HA TRP 93 HA TRP 93 -5.082 -8.276 -9.992 686 HB2 TRP 93 HB2 TRP 93 -7.305 -8.886 -9.323 687 HB3 TRP 93 HB3 TRP 93 -6.662 -7.794 -8.099 688 HD1 TRP 93 HD1 TRP 93 -9.389 -8.067 -10.731 689 HE1 TRP 93 HE1 TRP 93 -11.016 -6.091 -10.460 690 HE3 TRP 93 HE3 TRP 93 -6.758 -5.311 -7.322 691 HZ2 TRP 93 HZ2 TRP 93 -11.164 -3.682 -8.996 692 HZ3 TRP 93 HZ3 TRP 93 -7.712 -3.183 -6.538 693 HH2 TRP 93 HH2 TRP 93 -9.869 -2.387 -7.359 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -0.893 4.623 -7.894 2 HA2 GLY 1 HA2 GLY 1 -2.846 3.838 -5.915 3 HA3 GLY 1 HA3 GLY 1 -2.609 2.653 -7.191 4 H ALA 2 H ALA 2 -1.965 1.343 -5.270 5 HA ALA 2 HA ALA 2 0.825 1.865 -4.488 6 HB1 ALA 2 HB1 ALA 2 -1.196 1.546 -2.800 7 HB2 ALA 2 HB2 ALA 2 -0.799 -0.155 -3.044 8 HB3 ALA 2 HB3 ALA 2 0.427 0.958 -2.438 9 H MET 3 H MET 3 -1.360 -0.464 -5.910 10 HA MET 3 HA MET 3 -1.031 -2.453 -6.966 11 HB2 MET 3 HB2 MET 3 1.797 -1.502 -7.410 12 HB3 MET 3 HB3 MET 3 0.865 -2.609 -8.410 13 HG2 MET 3 HG2 MET 3 0.319 -0.879 -9.672 14 HG3 MET 3 HG3 MET 3 -0.655 -0.287 -8.328 15 HE1 MET 3 HE1 MET 3 2.964 1.551 -10.175 16 HE2 MET 3 HE2 MET 3 2.200 0.012 -10.572 17 HE3 MET 3 HE3 MET 3 1.310 1.520 -10.787 18 H ALA 4 H ALA 4 1.017 -4.214 -7.207 19 HA ALA 4 HA ALA 4 2.143 -5.878 -6.137 20 HB1 ALA 4 HB1 ALA 4 3.630 -5.322 -4.457 21 HB2 ALA 4 HB2 ALA 4 3.372 -3.770 -5.255 22 HB3 ALA 4 HB3 ALA 4 2.540 -4.133 -3.743 23 H ASN 5 H ASN 5 0.833 -7.504 -5.601 24 HA ASN 5 HA ASN 5 -0.916 -7.183 -3.255 25 HB2 ASN 5 HB2 ASN 5 -1.899 -9.395 -4.450 26 HB3 ASN 5 HB3 ASN 5 -2.456 -7.766 -4.823 27 HD21 ASN 5 HD21 ASN 5 -1.621 -6.722 -6.692 28 HD22 ASN 5 HD22 ASN 5 -1.021 -7.651 -8.019 29 HA PRO 6 HA PRO 6 1.167 -10.343 -1.037 30 HB2 PRO 6 HB2 PRO 6 -0.878 -11.703 0.122 31 HB3 PRO 6 HB3 PRO 6 -0.395 -10.079 0.628 32 HG2 PRO 6 HG2 PRO 6 -2.641 -10.915 -1.166 33 HG3 PRO 6 HG3 PRO 6 -2.633 -9.698 0.124 34 HD2 PRO 6 HD2 PRO 6 -2.436 -9.044 -2.496 35 HD3 PRO 6 HD3 PRO 6 -1.647 -8.102 -1.215 36 H LYS 7 H LYS 7 1.119 -12.797 -0.596 37 HA LYS 7 HA LYS 7 0.839 -14.128 -3.180 38 HB2 LYS 7 HB2 LYS 7 2.552 -14.448 -0.821 39 HB3 LYS 7 HB3 LYS 7 1.966 -15.971 -1.478 40 HG2 LYS 7 HG2 LYS 7 2.787 -15.131 -3.734 41 HG3 LYS 7 HG3 LYS 7 3.639 -13.879 -2.828 42 HD2 LYS 7 HD2 LYS 7 4.973 -15.465 -1.698 43 HD3 LYS 7 HD3 LYS 7 3.941 -16.806 -2.202 44 HE2 LYS 7 HE2 LYS 7 4.959 -16.996 -4.196 45 HE3 LYS 7 HE3 LYS 7 5.078 -15.250 -4.411 46 HZ1 LYS 7 HZ1 LYS 7 7.074 -17.059 -3.597 47 HZ2 LYS 7 HZ2 LYS 7 6.810 -15.946 -2.351 48 HZ3 LYS 7 HZ3 LYS 7 7.212 -15.400 -3.901 49 H THR 8 H THR 8 -0.337 -14.309 0.125 50 HA THR 8 HA THR 8 -2.366 -16.242 -0.776 51 HB THR 8 HB THR 8 -2.305 -17.216 1.556 52 HG1 THR 8 HG1 THR 8 -0.856 -16.499 2.931 53 HG21 THR 8 HG21 THR 8 -0.998 -17.977 -0.661 54 HG22 THR 8 HG22 THR 8 -0.896 -18.858 0.863 55 HG23 THR 8 HG23 THR 8 0.377 -17.725 0.412 56 H ILE 9 H ILE 9 -4.418 -15.784 -0.208 57 HA ILE 9 HA ILE 9 -4.838 -13.494 1.600 58 HB ILE 9 HB ILE 9 -7.023 -13.204 0.348 59 HG12 ILE 9 HG12 ILE 9 -5.932 -14.431 -2.070 60 HG13 ILE 9 HG13 ILE 9 -6.303 -15.608 -0.815 61 HG21 ILE 9 HG21 ILE 9 -4.941 -12.740 -1.670 62 HG22 ILE 9 HG22 ILE 9 -6.040 -11.605 -0.888 63 HG23 ILE 9 HG23 ILE 9 -4.572 -12.125 -0.059 64 HD11 ILE 9 HD11 ILE 9 -8.571 -15.011 -0.784 65 HD12 ILE 9 HD12 ILE 9 -8.276 -13.532 -1.700 66 HD13 ILE 9 HD13 ILE 9 -8.126 -15.103 -2.488 67 H LYS 10 H LYS 10 -6.129 -13.757 3.319 68 HA LYS 10 HA LYS 10 -6.842 -16.245 4.291 69 HB2 LYS 10 HB2 LYS 10 -7.870 -13.484 4.905 70 HB3 LYS 10 HB3 LYS 10 -8.483 -14.899 5.750 71 HG2 LYS 10 HG2 LYS 10 -5.545 -14.357 5.626 72 HG3 LYS 10 HG3 LYS 10 -6.569 -13.537 6.806 73 HD2 LYS 10 HD2 LYS 10 -7.187 -16.330 6.794 74 HD3 LYS 10 HD3 LYS 10 -5.444 -16.119 6.972 75 HE2 LYS 10 HE2 LYS 10 -7.531 -14.728 8.647 76 HE3 LYS 10 HE3 LYS 10 -6.657 -16.180 9.133 77 HZ1 LYS 10 HZ1 LYS 10 -5.303 -14.655 10.061 78 HZ2 LYS 10 HZ2 LYS 10 -5.739 -13.423 8.988 79 HZ3 LYS 10 HZ3 LYS 10 -4.626 -14.604 8.511 80 H ALA 11 H ALA 11 -8.483 -17.616 3.971 81 HA ALA 11 HA ALA 11 -10.209 -17.409 1.800 82 HB1 ALA 11 HB1 ALA 11 -9.769 -19.561 2.658 83 HB2 ALA 11 HB2 ALA 11 -10.325 -19.117 4.272 84 HB3 ALA 11 HB3 ALA 11 -11.484 -19.270 2.951 85 H ALA 12 H ALA 12 -10.726 -16.582 5.195 86 HA ALA 12 HA ALA 12 -13.457 -16.146 5.199 87 HB1 ALA 12 HB1 ALA 12 -11.231 -14.815 6.714 88 HB2 ALA 12 HB2 ALA 12 -12.926 -14.409 6.987 89 HB3 ALA 12 HB3 ALA 12 -12.357 -16.054 7.269 90 H ALA 13 H ALA 13 -10.873 -14.086 3.999 91 HA ALA 13 HA ALA 13 -12.383 -11.733 3.642 92 HB1 ALA 13 HB1 ALA 13 -10.591 -11.023 2.148 93 HB2 ALA 13 HB2 ALA 13 -9.940 -11.754 3.616 94 HB3 ALA 13 HB3 ALA 13 -9.961 -12.670 2.109 95 H TYR 14 H TYR 14 -11.903 -14.574 1.627 96 HA TYR 14 HA TYR 14 -12.966 -13.574 -0.768 97 HB2 TYR 14 HB2 TYR 14 -11.740 -15.826 -0.235 98 HB3 TYR 14 HB3 TYR 14 -13.370 -16.432 0.041 99 HD1 TYR 14 HD1 TYR 14 -14.526 -17.331 -1.747 100 HD2 TYR 14 HD2 TYR 14 -11.417 -14.530 -2.515 101 HE1 TYR 14 HE1 TYR 14 -14.806 -17.693 -4.164 102 HE2 TYR 14 HE2 TYR 14 -11.689 -14.883 -4.934 103 HH TYR 14 HH TYR 14 -14.154 -17.106 -6.201 104 H ASN 15 H ASN 15 -14.547 -15.453 1.814 105 HA ASN 15 HA ASN 15 -17.120 -15.434 0.709 106 HB2 ASN 15 HB2 ASN 15 -16.082 -15.754 3.513 107 HB3 ASN 15 HB3 ASN 15 -17.813 -15.729 3.192 108 HD21 ASN 15 HD21 ASN 15 -14.824 -17.306 2.142 109 HD22 ASN 15 HD22 ASN 15 -15.537 -18.855 1.858 110 H GLN 16 H GLN 16 -15.425 -13.090 2.693 111 HA GLN 16 HA GLN 16 -17.726 -11.474 3.219 112 HB2 GLN 16 HB2 GLN 16 -15.780 -11.455 4.710 113 HB3 GLN 16 HB3 GLN 16 -14.782 -10.810 3.413 114 HG2 GLN 16 HG2 GLN 16 -15.244 -8.826 4.314 115 HG3 GLN 16 HG3 GLN 16 -16.799 -8.991 3.500 116 HE21 GLN 16 HE21 GLN 16 -18.170 -10.723 4.971 117 HE22 GLN 16 HE22 GLN 16 -18.383 -10.151 6.587 118 H ALA 17 H ALA 17 -15.225 -11.551 0.765 119 HA ALA 17 HA ALA 17 -15.699 -9.011 -0.365 120 HB1 ALA 17 HB1 ALA 17 -14.443 -11.530 -1.389 121 HB2 ALA 17 HB2 ALA 17 -14.672 -10.135 -2.444 122 HB3 ALA 17 HB3 ALA 17 -13.684 -9.989 -0.990 123 H ARG 18 H ARG 18 -16.886 -12.237 -1.302 124 HA ARG 18 HA ARG 18 -18.559 -11.262 -3.383 125 HB2 ARG 18 HB2 ARG 18 -19.601 -13.568 -3.213 126 HB3 ARG 18 HB3 ARG 18 -17.874 -13.524 -3.542 127 HG2 ARG 18 HG2 ARG 18 -17.491 -14.803 -1.782 128 HG3 ARG 18 HG3 ARG 18 -18.241 -13.605 -0.726 129 HD2 ARG 18 HD2 ARG 18 -19.339 -15.757 -0.482 130 HD3 ARG 18 HD3 ARG 18 -20.441 -14.580 -1.197 131 HE ARG 18 HE ARG 18 -19.044 -16.157 -3.145 132 HH11 ARG 18 HH11 ARG 18 -21.799 -16.039 -1.019 133 HH12 ARG 18 HH12 ARG 18 -22.735 -17.154 -1.958 134 HH21 ARG 18 HH21 ARG 18 -20.268 -17.626 -4.389 135 HH22 ARG 18 HH22 ARG 18 -21.863 -18.056 -3.874 136 H SER 19 H SER 19 -19.018 -11.890 0.033 137 HA SER 19 HA SER 19 -21.800 -11.891 0.163 138 HB2 SER 19 HB2 SER 19 -20.527 -12.507 2.104 139 HB3 SER 19 HB3 SER 19 -19.741 -10.930 2.158 140 HG SER 19 HG SER 19 -21.905 -11.624 3.417 141 H THR 20 H THR 20 -19.548 -9.154 0.467 142 HA THR 20 HA THR 20 -21.453 -7.147 0.846 143 HB THR 20 HB THR 20 -18.928 -6.645 -0.705 144 HG1 THR 20 HG1 THR 20 -19.161 -7.152 2.092 145 HG21 THR 20 HG21 THR 20 -19.440 -4.522 -0.272 146 HG22 THR 20 HG22 THR 20 -19.390 -4.857 1.459 147 HG23 THR 20 HG23 THR 20 -20.900 -5.043 0.568 148 H LEU 21 H LEU 21 -19.998 -8.372 -2.154 149 HA LEU 21 HA LEU 21 -21.277 -6.593 -3.910 150 HB2 LEU 21 HB2 LEU 21 -20.505 -9.433 -4.537 151 HB3 LEU 21 HB3 LEU 21 -20.647 -8.084 -5.662 152 HG LEU 21 HG LEU 21 -18.632 -7.928 -3.467 153 HD11 LEU 21 HD11 LEU 21 -17.531 -9.728 -4.146 154 HD12 LEU 21 HD12 LEU 21 -17.316 -8.955 -5.716 155 HD13 LEU 21 HD13 LEU 21 -18.698 -10.014 -5.437 156 HD21 LEU 21 HD21 LEU 21 -17.395 -6.737 -5.286 157 HD22 LEU 21 HD22 LEU 21 -18.911 -5.973 -4.805 158 HD23 LEU 21 HD23 LEU 21 -18.830 -6.912 -6.296 159 H ALA 22 H ALA 22 -22.356 -9.528 -2.371 160 HA ALA 22 HA ALA 22 -24.481 -10.278 -3.972 161 HB1 ALA 22 HB1 ALA 22 -25.241 -11.544 -2.195 162 HB2 ALA 22 HB2 ALA 22 -23.536 -11.333 -1.796 163 HB3 ALA 22 HB3 ALA 22 -24.757 -10.343 -0.997 164 H ASP 23 H ASP 23 -24.174 -7.532 -1.873 165 HA ASP 23 HA ASP 23 -26.856 -6.903 -1.427 166 HB2 ASP 23 HB2 ASP 23 -24.339 -5.281 -1.568 167 HB3 ASP 23 HB3 ASP 23 -25.893 -4.466 -1.423 168 H ALA 24 H ALA 24 -24.805 -6.355 -4.219 169 HA ALA 24 HA ALA 24 -27.049 -5.036 -5.592 170 HB1 ALA 24 HB1 ALA 24 -24.362 -5.068 -6.833 171 HB2 ALA 24 HB2 ALA 24 -25.580 -3.792 -6.791 172 HB3 ALA 24 HB3 ALA 24 -24.565 -4.089 -5.380 173 H GLY 25 H GLY 25 -25.044 -7.848 -5.541 174 HA2 GLY 25 HA2 GLY 25 -26.239 -9.757 -6.705 175 HA3 GLY 25 HA3 GLY 25 -26.184 -8.720 -8.122 176 H SER 26 H SER 26 -25.057 -11.388 -7.737 177 HA SER 26 HA SER 26 -22.224 -10.738 -8.231 178 HB2 SER 26 HB2 SER 26 -22.215 -13.396 -7.491 179 HB3 SER 26 HB3 SER 26 -21.789 -12.042 -6.444 180 HG SER 26 HG SER 26 -23.571 -12.331 -5.362 181 H ARG 27 H ARG 27 -21.682 -11.070 -10.272 182 HA ARG 27 HA ARG 27 -23.337 -12.605 -12.044 183 HB2 ARG 27 HB2 ARG 27 -21.044 -10.780 -12.280 184 HB3 ARG 27 HB3 ARG 27 -21.062 -12.075 -13.470 185 HG2 ARG 27 HG2 ARG 27 -23.401 -10.255 -12.959 186 HG3 ARG 27 HG3 ARG 27 -22.169 -9.952 -14.186 187 HD2 ARG 27 HD2 ARG 27 -23.231 -11.294 -15.599 188 HD3 ARG 27 HD3 ARG 27 -23.063 -12.634 -14.466 189 HE ARG 27 HE ARG 27 -25.262 -12.373 -13.886 190 HH11 ARG 27 HH11 ARG 27 -24.184 -9.532 -15.585 191 HH12 ARG 27 HH12 ARG 27 -25.767 -8.836 -15.693 192 HH21 ARG 27 HH21 ARG 27 -27.351 -11.468 -14.022 193 HH22 ARG 27 HH22 ARG 27 -27.568 -9.938 -14.803 194 H THR 28 H THR 28 -19.879 -12.852 -11.192 195 HA THR 28 HA THR 28 -19.715 -15.532 -12.217 196 HB THR 28 HB THR 28 -17.414 -15.484 -11.666 197 HG1 THR 28 HG1 THR 28 -18.064 -13.324 -9.922 198 HG21 THR 28 HG21 THR 28 -16.686 -13.689 -12.907 199 HG22 THR 28 HG22 THR 28 -17.804 -12.564 -12.135 200 HG23 THR 28 HG23 THR 28 -18.395 -13.706 -13.342 201 H ALA 29 H ALA 29 -19.735 -14.033 -9.007 202 HA ALA 29 HA ALA 29 -19.267 -16.317 -7.475 203 HB1 ALA 29 HB1 ALA 29 -21.076 -14.691 -6.045 204 HB2 ALA 29 HB2 ALA 29 -19.320 -14.765 -5.892 205 HB3 ALA 29 HB3 ALA 29 -20.060 -13.617 -7.008 206 H ALA 30 H ALA 30 -22.151 -15.209 -9.086 207 HA ALA 30 HA ALA 30 -24.102 -16.652 -7.713 208 HB1 ALA 30 HB1 ALA 30 -23.867 -15.450 -10.401 209 HB2 ALA 30 HB2 ALA 30 -25.115 -16.680 -10.194 210 HB3 ALA 30 HB3 ALA 30 -25.112 -15.246 -9.167 211 H LYS 31 H LYS 31 -22.015 -17.624 -10.404 212 HA LYS 31 HA LYS 31 -23.131 -20.317 -10.364 213 HB2 LYS 31 HB2 LYS 31 -22.696 -19.243 -12.534 214 HB3 LYS 31 HB3 LYS 31 -20.991 -19.103 -12.124 215 HG2 LYS 31 HG2 LYS 31 -21.909 -21.826 -11.856 216 HG3 LYS 31 HG3 LYS 31 -22.225 -21.191 -13.473 217 HD2 LYS 31 HD2 LYS 31 -20.024 -21.037 -13.984 218 HD3 LYS 31 HD3 LYS 31 -19.564 -20.595 -12.338 219 HE2 LYS 31 HE2 LYS 31 -20.360 -23.142 -11.950 220 HE3 LYS 31 HE3 LYS 31 -19.774 -23.249 -13.609 221 HZ1 LYS 31 HZ1 LYS 31 -17.954 -21.789 -12.000 222 HZ2 LYS 31 HZ2 LYS 31 -17.692 -23.201 -12.894 223 HZ3 LYS 31 HZ3 LYS 31 -18.261 -23.301 -11.304 224 H SER 32 H SER 32 -20.348 -18.562 -9.282 225 HA SER 32 HA SER 32 -18.829 -20.987 -8.747 226 HB2 SER 32 HB2 SER 32 -18.226 -18.049 -8.422 227 HB3 SER 32 HB3 SER 32 -17.157 -19.301 -7.790 228 HG SER 32 HG SER 32 -16.464 -18.763 -9.839 229 H HIS 33 H HIS 33 -17.636 -20.811 -6.469 230 HA HIS 33 HA HIS 33 -19.623 -20.187 -4.400 231 HB2 HIS 33 HB2 HIS 33 -18.824 -22.347 -3.250 232 HB3 HIS 33 HB3 HIS 33 -19.943 -22.504 -4.601 233 HD1 HIS 33 HD1 HIS 33 -19.308 -24.349 -6.099 234 HD2 HIS 33 HD2 HIS 33 -15.976 -22.551 -4.388 235 HE1 HIS 33 HE1 HIS 33 -17.327 -25.610 -6.999 236 HA PRO 34 HA PRO 34 -16.302 -18.423 -2.141 237 HB2 PRO 34 HB2 PRO 34 -17.009 -18.986 0.419 238 HB3 PRO 34 HB3 PRO 34 -17.852 -17.786 -0.568 239 HG2 PRO 34 HG2 PRO 34 -18.609 -20.621 0.023 240 HG3 PRO 34 HG3 PRO 34 -19.632 -19.173 -0.009 241 HD2 PRO 34 HD2 PRO 34 -19.538 -20.936 -2.062 242 HD3 PRO 34 HD3 PRO 34 -19.815 -19.200 -2.307 243 H ILE 35 H ILE 35 -14.977 -19.065 0.052 244 HA ILE 35 HA ILE 35 -13.886 -21.750 -0.487 245 HB ILE 35 HB ILE 35 -12.424 -19.346 0.612 246 HG12 ILE 35 HG12 ILE 35 -12.232 -20.689 -2.093 247 HG13 ILE 35 HG13 ILE 35 -12.977 -19.126 -1.780 248 HG21 ILE 35 HG21 ILE 35 -11.854 -22.098 0.818 249 HG22 ILE 35 HG22 ILE 35 -10.724 -21.426 -0.355 250 HG23 ILE 35 HG23 ILE 35 -10.825 -20.738 1.266 251 HD11 ILE 35 HD11 ILE 35 -10.294 -19.177 -0.761 252 HD12 ILE 35 HD12 ILE 35 -10.328 -19.636 -2.464 253 HD13 ILE 35 HD13 ILE 35 -11.027 -18.101 -1.951 254 H HIS 36 H HIS 36 -14.049 -23.189 1.094 255 HA HIS 36 HA HIS 36 -14.132 -22.261 3.876 256 HB2 HIS 36 HB2 HIS 36 -16.340 -23.361 2.437 257 HB3 HIS 36 HB3 HIS 36 -15.843 -24.525 3.662 258 HD1 HIS 36 HD1 HIS 36 -15.393 -23.144 6.125 259 HD2 HIS 36 HD2 HIS 36 -18.197 -21.686 3.429 260 HE1 HIS 36 HE1 HIS 36 -16.925 -21.676 7.476 261 H GLY 37 H GLY 37 -13.604 -23.931 5.446 262 HA2 GLY 37 HA2 GLY 37 -12.161 -25.546 6.212 263 HA3 GLY 37 HA3 GLY 37 -12.806 -26.520 4.899 264 H LYS 38 H LYS 38 -10.830 -23.574 4.790 265 HA LYS 38 HA LYS 38 -8.614 -25.135 3.677 266 HB2 LYS 38 HB2 LYS 38 -10.027 -22.834 2.357 267 HB3 LYS 38 HB3 LYS 38 -8.340 -23.181 1.999 268 HG2 LYS 38 HG2 LYS 38 -9.337 -25.620 1.625 269 HG3 LYS 38 HG3 LYS 38 -10.785 -24.676 1.268 270 HD2 LYS 38 HD2 LYS 38 -9.704 -23.506 -0.483 271 HD3 LYS 38 HD3 LYS 38 -8.113 -24.088 0.013 272 HE2 LYS 38 HE2 LYS 38 -9.203 -26.441 -0.433 273 HE3 LYS 38 HE3 LYS 38 -10.287 -25.501 -1.458 274 HZ1 LYS 38 HZ1 LYS 38 -8.421 -26.328 -2.724 275 HZ2 LYS 38 HZ2 LYS 38 -7.326 -25.586 -1.670 276 HZ3 LYS 38 HZ3 LYS 38 -8.345 -24.640 -2.633 277 H THR 39 H THR 39 -6.643 -24.466 4.322 278 HA THR 39 HA THR 39 -6.374 -22.700 6.480 279 HB THR 39 HB THR 39 -4.037 -23.245 4.694 280 HG1 THR 39 HG1 THR 39 -3.944 -25.359 5.417 281 HG21 THR 39 HG21 THR 39 -3.890 -23.836 7.553 282 HG22 THR 39 HG22 THR 39 -4.318 -22.162 7.200 283 HG23 THR 39 HG23 THR 39 -2.832 -22.849 6.546 284 H ASP 40 H ASP 40 -5.609 -22.257 3.038 285 HA ASP 40 HA ASP 40 -6.324 -19.556 2.970 286 HB2 ASP 40 HB2 ASP 40 -4.001 -18.577 2.702 287 HB3 ASP 40 HB3 ASP 40 -4.455 -19.026 4.344 288 H VAL 41 H VAL 41 -6.160 -18.667 0.898 289 HA VAL 41 HA VAL 41 -5.213 -20.547 -1.167 290 HB VAL 41 HB VAL 41 -6.891 -19.317 -2.658 291 HG11 VAL 41 HG11 VAL 41 -8.674 -20.659 -0.870 292 HG12 VAL 41 HG12 VAL 41 -8.034 -21.206 -2.421 293 HG13 VAL 41 HG13 VAL 41 -7.143 -21.531 -0.933 294 HG21 VAL 41 HG21 VAL 41 -7.163 -17.577 -0.684 295 HG22 VAL 41 HG22 VAL 41 -8.497 -17.954 -1.774 296 HG23 VAL 41 HG23 VAL 41 -8.419 -18.710 -0.182 297 HA PRO 42 HA PRO 42 -2.493 -17.490 -2.756 298 HB2 PRO 42 HB2 PRO 42 -2.604 -18.001 -5.420 299 HB3 PRO 42 HB3 PRO 42 -1.789 -19.068 -4.271 300 HG2 PRO 42 HG2 PRO 42 -4.517 -19.316 -5.478 301 HG3 PRO 42 HG3 PRO 42 -3.288 -20.569 -5.223 302 HD2 PRO 42 HD2 PRO 42 -5.409 -20.252 -3.571 303 HD3 PRO 42 HD3 PRO 42 -3.830 -20.825 -2.998 304 H VAL 43 H VAL 43 -2.368 -15.522 -3.930 305 HA VAL 43 HA VAL 43 -4.586 -13.884 -3.860 306 HB VAL 43 HB VAL 43 -2.381 -12.931 -3.992 307 HG11 VAL 43 HG11 VAL 43 -2.234 -13.993 -6.811 308 HG12 VAL 43 HG12 VAL 43 -1.005 -13.037 -5.981 309 HG13 VAL 43 HG13 VAL 43 -1.379 -14.668 -5.425 310 HG21 VAL 43 HG21 VAL 43 -4.567 -12.019 -5.409 311 HG22 VAL 43 HG22 VAL 43 -3.128 -11.085 -5.002 312 HG23 VAL 43 HG23 VAL 43 -3.242 -11.892 -6.566 313 H SER 44 H SER 44 -3.502 -16.012 -6.412 314 HA SER 44 HA SER 44 -4.923 -15.007 -8.576 315 HB2 SER 44 HB2 SER 44 -4.765 -17.967 -8.232 316 HB3 SER 44 HB3 SER 44 -4.415 -16.981 -9.651 317 HG SER 44 HG SER 44 -2.409 -16.889 -9.050 318 H TYR 45 H TYR 45 -6.004 -16.944 -5.867 319 HA TYR 45 HA TYR 45 -8.548 -17.615 -6.964 320 HB2 TYR 45 HB2 TYR 45 -7.202 -18.657 -4.949 321 HB3 TYR 45 HB3 TYR 45 -8.094 -17.465 -4.012 322 HD1 TYR 45 HD1 TYR 45 -10.732 -17.411 -4.944 323 HD2 TYR 45 HD2 TYR 45 -8.114 -20.762 -4.790 324 HE1 TYR 45 HE1 TYR 45 -12.674 -18.918 -4.869 325 HE2 TYR 45 HE2 TYR 45 -10.049 -22.278 -4.717 326 HH TYR 45 HH TYR 45 -13.354 -21.032 -4.536 327 H GLY 46 H GLY 46 -7.475 -15.182 -4.596 328 HA2 GLY 46 HA2 GLY 46 -10.031 -14.029 -4.208 329 HA3 GLY 46 HA3 GLY 46 -8.493 -13.275 -3.818 330 H THR 47 H THR 47 -7.383 -13.246 -6.417 331 HA THR 47 HA THR 47 -8.342 -10.821 -7.394 332 HB THR 47 HB THR 47 -7.085 -11.472 -9.530 333 HG1 THR 47 HG1 THR 47 -6.477 -13.486 -9.670 334 HG21 THR 47 HG21 THR 47 -5.901 -10.100 -8.068 335 HG22 THR 47 HG22 THR 47 -4.846 -11.505 -8.225 336 HG23 THR 47 HG23 THR 47 -5.864 -11.321 -6.797 337 H SER 48 H SER 48 -9.212 -14.118 -8.230 338 HA SER 48 HA SER 48 -10.599 -13.641 -10.606 339 HB2 SER 48 HB2 SER 48 -10.132 -15.901 -10.017 340 HB3 SER 48 HB3 SER 48 -10.954 -15.741 -8.465 341 HG SER 48 HG SER 48 -12.537 -16.600 -9.585 342 H LEU 49 H LEU 49 -11.713 -13.553 -7.245 343 HA LEU 49 HA LEU 49 -14.418 -12.925 -7.940 344 HB2 LEU 49 HB2 LEU 49 -13.875 -14.076 -5.865 345 HB3 LEU 49 HB3 LEU 49 -12.942 -12.683 -5.322 346 HG LEU 49 HG LEU 49 -14.867 -11.404 -4.932 347 HD11 LEU 49 HD11 LEU 49 -17.147 -12.610 -5.589 348 HD12 LEU 49 HD12 LEU 49 -16.118 -13.269 -6.860 349 HD13 LEU 49 HD13 LEU 49 -16.296 -11.523 -6.687 350 HD21 LEU 49 HD21 LEU 49 -15.815 -12.552 -3.211 351 HD22 LEU 49 HD22 LEU 49 -14.446 -13.618 -3.529 352 HD23 LEU 49 HD23 LEU 49 -16.043 -14.018 -4.165 353 H LEU 50 H LEU 50 -11.561 -11.087 -7.040 354 HA LEU 50 HA LEU 50 -12.815 -8.603 -6.611 355 HB2 LEU 50 HB2 LEU 50 -10.261 -9.578 -6.421 356 HB3 LEU 50 HB3 LEU 50 -10.143 -8.476 -7.790 357 HG LEU 50 HG LEU 50 -11.004 -7.788 -4.983 358 HD11 LEU 50 HD11 LEU 50 -8.942 -6.171 -5.543 359 HD12 LEU 50 HD12 LEU 50 -8.490 -7.572 -6.513 360 HD13 LEU 50 HD13 LEU 50 -8.756 -7.750 -4.779 361 HD21 LEU 50 HD21 LEU 50 -10.604 -5.443 -6.388 362 HD22 LEU 50 HD22 LEU 50 -12.160 -6.126 -5.915 363 HD23 LEU 50 HD23 LEU 50 -11.499 -6.461 -7.516 364 H ALA 51 H ALA 51 -11.203 -9.919 -9.501 365 HA ALA 51 HA ALA 51 -11.848 -7.693 -11.150 366 HB1 ALA 51 HB1 ALA 51 -10.430 -10.192 -11.420 367 HB2 ALA 51 HB2 ALA 51 -11.431 -9.868 -12.836 368 HB3 ALA 51 HB3 ALA 51 -10.234 -8.684 -12.313 369 H ALA 52 H ALA 52 -13.421 -10.742 -10.425 370 HA ALA 52 HA ALA 52 -15.270 -10.841 -12.512 371 HB1 ALA 52 HB1 ALA 52 -16.681 -11.952 -10.507 372 HB2 ALA 52 HB2 ALA 52 -15.387 -12.783 -11.371 373 HB3 ALA 52 HB3 ALA 52 -15.059 -12.016 -9.818 374 H ALA 53 H ALA 53 -15.554 -9.325 -9.307 375 HA ALA 53 HA ALA 53 -18.179 -8.321 -9.749 376 HB1 ALA 53 HB1 ALA 53 -16.157 -8.171 -7.647 377 HB2 ALA 53 HB2 ALA 53 -17.134 -6.710 -7.800 378 HB3 ALA 53 HB3 ALA 53 -17.914 -8.267 -7.529 379 H ARG 54 H ARG 54 -14.945 -6.872 -9.956 380 HA ARG 54 HA ARG 54 -15.663 -4.247 -10.483 381 HB2 ARG 54 HB2 ARG 54 -13.391 -4.549 -10.128 382 HB3 ARG 54 HB3 ARG 54 -13.299 -5.929 -11.214 383 HG2 ARG 54 HG2 ARG 54 -13.064 -4.631 -13.073 384 HG3 ARG 54 HG3 ARG 54 -13.959 -3.279 -12.377 385 HD2 ARG 54 HD2 ARG 54 -12.087 -2.318 -11.654 386 HD3 ARG 54 HD3 ARG 54 -11.556 -3.808 -10.875 387 HE ARG 54 HE ARG 54 -11.129 -4.055 -13.627 388 HH11 ARG 54 HH11 ARG 54 -9.956 -2.209 -10.918 389 HH12 ARG 54 HH12 ARG 54 -8.373 -1.990 -11.585 390 HH21 ARG 54 HH21 ARG 54 -9.047 -3.774 -14.516 391 HH22 ARG 54 HH22 ARG 54 -7.857 -2.880 -13.632 392 H ASP 55 H ASP 55 -15.003 -6.834 -12.845 393 HA ASP 55 HA ASP 55 -15.652 -5.327 -15.128 394 HB2 ASP 55 HB2 ASP 55 -14.484 -7.675 -14.848 395 HB3 ASP 55 HB3 ASP 55 -16.124 -8.280 -15.067 396 H GLU 56 H GLU 56 -17.606 -7.491 -13.114 397 HA GLU 56 HA GLU 56 -19.943 -7.453 -14.646 398 HB2 GLU 56 HB2 GLU 56 -19.761 -9.053 -12.894 399 HB3 GLU 56 HB3 GLU 56 -19.490 -7.804 -11.686 400 HG2 GLU 56 HG2 GLU 56 -22.048 -7.819 -13.208 401 HG3 GLU 56 HG3 GLU 56 -21.810 -8.979 -11.902 402 H PHE 57 H PHE 57 -18.899 -5.322 -12.008 403 HA PHE 57 HA PHE 57 -21.211 -3.747 -11.870 404 HB2 PHE 57 HB2 PHE 57 -18.330 -3.151 -11.201 405 HB3 PHE 57 HB3 PHE 57 -19.629 -2.000 -10.905 406 HD1 PHE 57 HD1 PHE 57 -17.622 -3.775 -9.084 407 HD2 PHE 57 HD2 PHE 57 -21.781 -3.791 -9.988 408 HE1 PHE 57 HE1 PHE 57 -18.084 -4.861 -6.924 409 HE2 PHE 57 HE2 PHE 57 -22.250 -4.876 -7.830 410 HZ PHE 57 HZ PHE 57 -20.400 -5.412 -6.295 411 H ARG 58 H ARG 58 -18.540 -3.728 -14.094 412 HA ARG 58 HA ARG 58 -18.730 -1.150 -15.133 413 HB2 ARG 58 HB2 ARG 58 -16.959 -2.881 -15.638 414 HB3 ARG 58 HB3 ARG 58 -18.105 -3.625 -16.745 415 HG2 ARG 58 HG2 ARG 58 -17.480 -2.234 -18.343 416 HG3 ARG 58 HG3 ARG 58 -17.964 -0.856 -17.352 417 HD2 ARG 58 HD2 ARG 58 -15.602 -0.749 -18.071 418 HD3 ARG 58 HD3 ARG 58 -15.789 -0.778 -16.318 419 HE ARG 58 HE ARG 58 -15.423 -3.376 -16.898 420 HH11 ARG 58 HH11 ARG 58 -13.689 -0.501 -17.820 421 HH12 ARG 58 HH12 ARG 58 -12.160 -1.306 -17.945 422 HH21 ARG 58 HH21 ARG 58 -13.416 -4.447 -17.060 423 HH22 ARG 58 HH22 ARG 58 -12.006 -3.551 -17.513 424 H GLN 59 H GLN 59 -20.548 -4.071 -15.934 425 HA GLN 59 HA GLN 59 -21.985 -2.858 -18.090 426 HB2 GLN 59 HB2 GLN 59 -21.669 -5.250 -18.091 427 HB3 GLN 59 HB3 GLN 59 -22.460 -5.399 -16.528 428 HG2 GLN 59 HG2 GLN 59 -24.193 -4.090 -18.408 429 HG3 GLN 59 HG3 GLN 59 -23.619 -5.626 -19.056 430 HE21 GLN 59 HE21 GLN 59 -25.591 -4.073 -16.709 431 HE22 GLN 59 HE22 GLN 59 -26.305 -5.498 -16.044 432 H ALA 60 H ALA 60 -22.526 -3.311 -14.658 433 HA ALA 60 HA ALA 60 -25.251 -2.773 -14.502 434 HB1 ALA 60 HB1 ALA 60 -24.704 -1.929 -12.181 435 HB2 ALA 60 HB2 ALA 60 -24.167 -3.565 -12.561 436 HB3 ALA 60 HB3 ALA 60 -23.011 -2.233 -12.571 437 H ASP 61 H ASP 61 -22.510 -0.511 -14.389 438 HA ASP 61 HA ASP 61 -24.366 1.744 -14.527 439 HB2 ASP 61 HB2 ASP 61 -22.556 3.134 -13.888 440 HB3 ASP 61 HB3 ASP 61 -22.396 1.676 -12.912 441 H LYS 62 H LYS 62 -24.064 0.003 -16.804 442 HA LYS 62 HA LYS 62 -22.398 1.332 -18.733 443 HB2 LYS 62 HB2 LYS 62 -22.938 -1.111 -18.803 444 HB3 LYS 62 HB3 LYS 62 -24.594 -0.687 -19.216 445 HG2 LYS 62 HG2 LYS 62 -22.887 0.681 -21.012 446 HG3 LYS 62 HG3 LYS 62 -22.355 -1.001 -20.931 447 HD2 LYS 62 HD2 LYS 62 -24.993 -1.399 -21.098 448 HD3 LYS 62 HD3 LYS 62 -24.894 0.150 -21.938 449 HE2 LYS 62 HE2 LYS 62 -24.501 -1.171 -23.728 450 HE3 LYS 62 HE3 LYS 62 -22.850 -1.137 -23.112 451 HZ1 LYS 62 HZ1 LYS 62 -23.061 -3.354 -23.205 452 HZ2 LYS 62 HZ2 LYS 62 -24.752 -3.318 -23.180 453 HZ3 LYS 62 HZ3 LYS 62 -23.882 -3.181 -21.735 454 H LYS 63 H LYS 63 -25.766 1.416 -17.789 455 HA LYS 63 HA LYS 63 -26.689 2.886 -20.050 456 HB2 LYS 63 HB2 LYS 63 -28.290 1.622 -18.799 457 HB3 LYS 63 HB3 LYS 63 -27.845 2.427 -17.300 458 HG2 LYS 63 HG2 LYS 63 -28.775 4.226 -19.418 459 HG3 LYS 63 HG3 LYS 63 -29.982 3.077 -18.836 460 HD2 LYS 63 HD2 LYS 63 -28.324 4.753 -16.968 461 HD3 LYS 63 HD3 LYS 63 -29.852 5.325 -17.642 462 HE2 LYS 63 HE2 LYS 63 -30.628 2.917 -16.749 463 HE3 LYS 63 HE3 LYS 63 -29.325 3.244 -15.607 464 HZ1 LYS 63 HZ1 LYS 63 -31.002 5.519 -15.965 465 HZ2 LYS 63 HZ2 LYS 63 -30.582 4.710 -14.541 466 HZ3 LYS 63 HZ3 LYS 63 -31.898 4.176 -15.459 467 H LEU 64 H LEU 64 -25.062 3.725 -17.134 468 HA LEU 64 HA LEU 64 -25.835 6.515 -17.231 469 HB2 LEU 64 HB2 LEU 64 -23.593 5.468 -15.559 470 HB3 LEU 64 HB3 LEU 64 -24.724 6.777 -15.219 471 HG LEU 64 HG LEU 64 -25.489 3.860 -15.228 472 HD11 LEU 64 HD11 LEU 64 -25.132 3.731 -12.956 473 HD12 LEU 64 HD12 LEU 64 -25.138 5.482 -12.746 474 HD13 LEU 64 HD13 LEU 64 -23.747 4.688 -13.482 475 HD21 LEU 64 HD21 LEU 64 -27.018 6.203 -15.273 476 HD22 LEU 64 HD22 LEU 64 -27.076 5.628 -13.607 477 HD23 LEU 64 HD23 LEU 64 -27.572 4.566 -14.925 478 HA PRO 65 HA PRO 65 -22.566 7.988 -19.766 479 HB2 PRO 65 HB2 PRO 65 -22.138 10.439 -18.679 480 HB3 PRO 65 HB3 PRO 65 -23.568 10.052 -19.643 481 HG2 PRO 65 HG2 PRO 65 -23.265 10.168 -16.668 482 HG3 PRO 65 HG3 PRO 65 -24.585 10.777 -17.682 483 HD2 PRO 65 HD2 PRO 65 -24.749 8.439 -16.326 484 HD3 PRO 65 HD3 PRO 65 -25.556 8.697 -17.887 485 H ALA 66 H ALA 66 -20.333 8.315 -19.842 486 HA ALA 66 HA ALA 66 -18.763 7.028 -17.952 487 HB1 ALA 66 HB1 ALA 66 -17.169 8.983 -19.278 488 HB2 ALA 66 HB2 ALA 66 -17.262 7.246 -19.569 489 HB3 ALA 66 HB3 ALA 66 -18.351 8.341 -20.419 490 H LYS 67 H LYS 67 -19.733 10.387 -18.152 491 HA LYS 67 HA LYS 67 -17.891 11.406 -16.253 492 HB2 LYS 67 HB2 LYS 67 -19.171 13.404 -16.300 493 HB3 LYS 67 HB3 LYS 67 -19.233 12.745 -17.930 494 HG2 LYS 67 HG2 LYS 67 -21.451 11.698 -17.245 495 HG3 LYS 67 HG3 LYS 67 -21.385 12.767 -15.841 496 HD2 LYS 67 HD2 LYS 67 -21.242 13.676 -18.715 497 HD3 LYS 67 HD3 LYS 67 -22.697 13.709 -17.716 498 HE2 LYS 67 HE2 LYS 67 -21.426 15.151 -16.098 499 HE3 LYS 67 HE3 LYS 67 -20.142 15.251 -17.302 500 HZ1 LYS 67 HZ1 LYS 67 -22.184 15.966 -18.795 501 HZ2 LYS 67 HZ2 LYS 67 -21.314 17.084 -17.871 502 HZ3 LYS 67 HZ3 LYS 67 -22.787 16.480 -17.300 503 H ASP 68 H ASP 68 -20.953 9.777 -15.996 504 HA ASP 68 HA ASP 68 -21.177 10.402 -13.153 505 HB2 ASP 68 HB2 ASP 68 -23.168 10.401 -14.742 506 HB3 ASP 68 HB3 ASP 68 -23.022 8.646 -14.770 507 H LYS 69 H LYS 69 -18.964 8.790 -14.097 508 HA LYS 69 HA LYS 69 -19.217 6.616 -12.238 509 HB2 LYS 69 HB2 LYS 69 -18.745 4.817 -13.820 510 HB3 LYS 69 HB3 LYS 69 -20.260 5.615 -14.222 511 HG2 LYS 69 HG2 LYS 69 -19.264 6.764 -16.050 512 HG3 LYS 69 HG3 LYS 69 -17.646 6.253 -15.564 513 HD2 LYS 69 HD2 LYS 69 -18.134 4.781 -17.284 514 HD3 LYS 69 HD3 LYS 69 -18.595 3.853 -15.855 515 HE2 LYS 69 HE2 LYS 69 -20.896 4.283 -16.207 516 HE3 LYS 69 HE3 LYS 69 -20.554 5.531 -17.404 517 HZ1 LYS 69 HZ1 LYS 69 -21.055 3.809 -18.772 518 HZ2 LYS 69 HZ2 LYS 69 -20.524 2.622 -17.689 519 HZ3 LYS 69 HZ3 LYS 69 -19.400 3.504 -18.595 520 H LYS 70 H LYS 70 -17.265 6.001 -11.441 521 HA LYS 70 HA LYS 70 -14.972 7.566 -12.235 522 HB2 LYS 70 HB2 LYS 70 -15.328 7.253 -9.879 523 HB3 LYS 70 HB3 LYS 70 -15.391 5.506 -10.067 524 HG2 LYS 70 HG2 LYS 70 -13.274 6.240 -9.104 525 HG3 LYS 70 HG3 LYS 70 -13.041 5.462 -10.671 526 HD2 LYS 70 HD2 LYS 70 -11.651 7.427 -10.551 527 HD3 LYS 70 HD3 LYS 70 -12.943 7.706 -11.720 528 HE2 LYS 70 HE2 LYS 70 -14.075 9.164 -10.306 529 HE3 LYS 70 HE3 LYS 70 -13.262 8.553 -8.866 530 HZ1 LYS 70 HZ1 LYS 70 -11.228 9.599 -9.582 531 HZ2 LYS 70 HZ2 LYS 70 -12.463 10.754 -9.528 532 HZ3 LYS 70 HZ3 LYS 70 -11.954 10.131 -11.016 533 H SER 71 H SER 71 -13.549 6.963 -13.716 534 HA SER 71 HA SER 71 -12.203 5.687 -15.038 535 HB2 SER 71 HB2 SER 71 -12.531 4.106 -12.631 536 HB3 SER 71 HB3 SER 71 -12.366 3.072 -14.050 537 HG SER 71 HG SER 71 -10.583 5.059 -13.110 538 H ASP 72 H ASP 72 -14.423 3.098 -14.085 539 HA ASP 72 HA ASP 72 -15.909 3.294 -16.557 540 HB2 ASP 72 HB2 ASP 72 -14.370 0.752 -16.015 541 HB3 ASP 72 HB3 ASP 72 -15.316 1.154 -17.446 542 H MET 73 H MET 73 -16.306 3.290 -13.593 543 HA MET 73 HA MET 73 -18.594 1.511 -13.586 544 HB2 MET 73 HB2 MET 73 -17.971 0.496 -11.407 545 HB3 MET 73 HB3 MET 73 -16.900 0.025 -12.720 546 HG2 MET 73 HG2 MET 73 -15.572 2.162 -11.773 547 HG3 MET 73 HG3 MET 73 -16.354 1.599 -10.298 548 HE1 MET 73 HE1 MET 73 -15.146 -2.257 -10.562 549 HE2 MET 73 HE2 MET 73 -16.324 -1.193 -9.794 550 HE3 MET 73 HE3 MET 73 -16.469 -1.577 -11.510 551 H SER 74 H SER 74 -20.191 2.106 -12.111 552 HA SER 74 HA SER 74 -20.292 4.836 -11.428 553 HB2 SER 74 HB2 SER 74 -22.342 3.644 -11.843 554 HB3 SER 74 HB3 SER 74 -22.000 2.501 -10.544 555 HG SER 74 HG SER 74 -23.339 3.930 -9.616 556 H ILE 75 H ILE 75 -20.152 5.897 -9.462 557 HA ILE 75 HA ILE 75 -18.168 5.167 -7.696 558 HB ILE 75 HB ILE 75 -20.561 6.915 -7.108 559 HG12 ILE 75 HG12 ILE 75 -18.429 8.577 -7.482 560 HG13 ILE 75 HG13 ILE 75 -18.065 7.294 -8.632 561 HG21 ILE 75 HG21 ILE 75 -18.612 7.925 -5.576 562 HG22 ILE 75 HG22 ILE 75 -19.747 6.701 -5.008 563 HG23 ILE 75 HG23 ILE 75 -18.141 6.226 -5.560 564 HD11 ILE 75 HD11 ILE 75 -19.876 7.767 -9.939 565 HD12 ILE 75 HD12 ILE 75 -20.801 8.453 -8.603 566 HD13 ILE 75 HD13 ILE 75 -19.485 9.375 -9.329 567 H ALA 76 H ALA 76 -21.659 4.627 -7.405 568 HA ALA 76 HA ALA 76 -21.679 3.533 -4.832 569 HB1 ALA 76 HB1 ALA 76 -23.523 3.815 -7.010 570 HB2 ALA 76 HB2 ALA 76 -23.678 2.212 -6.289 571 HB3 ALA 76 HB3 ALA 76 -23.848 3.651 -5.284 572 H HIS 77 H HIS 77 -21.101 2.038 -7.975 573 HA HIS 77 HA HIS 77 -20.997 -0.631 -6.932 574 HB2 HIS 77 HB2 HIS 77 -19.958 0.409 -9.575 575 HB3 HIS 77 HB3 HIS 77 -20.278 -1.273 -9.164 576 HD1 HIS 77 HD1 HIS 77 -21.654 0.066 -11.574 577 HD2 HIS 77 HD2 HIS 77 -23.310 -0.181 -7.771 578 HE1 HIS 77 HE1 HIS 77 -24.138 0.269 -11.908 579 H TYR 78 H TYR 78 -18.645 1.862 -7.747 580 HA TYR 78 HA TYR 78 -16.303 0.374 -7.601 581 HB2 TYR 78 HB2 TYR 78 -16.680 2.863 -8.237 582 HB3 TYR 78 HB3 TYR 78 -16.452 3.174 -6.520 583 HD1 TYR 78 HD1 TYR 78 -14.827 2.925 -9.615 584 HD2 TYR 78 HD2 TYR 78 -14.285 2.047 -5.487 585 HE1 TYR 78 HE1 TYR 78 -12.390 2.915 -9.943 586 HE2 TYR 78 HE2 TYR 78 -11.846 2.035 -5.804 587 HH TYR 78 HH TYR 78 -10.265 1.589 -7.890 588 H ASN 79 H ASN 79 -18.278 1.749 -5.040 589 HA ASN 79 HA ASN 79 -16.457 1.351 -2.919 590 HB2 ASN 79 HB2 ASN 79 -19.428 1.749 -3.084 591 HB3 ASN 79 HB3 ASN 79 -18.675 1.344 -1.544 592 HD21 ASN 79 HD21 ASN 79 -19.671 3.820 -3.446 593 HD22 ASN 79 HD22 ASN 79 -18.695 5.092 -2.803 594 H ALA 80 H ALA 80 -18.830 -0.721 -4.457 595 HA ALA 80 HA ALA 80 -18.788 -2.777 -2.492 596 HB1 ALA 80 HB1 ALA 80 -19.477 -3.933 -4.950 597 HB2 ALA 80 HB2 ALA 80 -20.566 -3.364 -3.684 598 HB3 ALA 80 HB3 ALA 80 -20.098 -2.283 -4.997 599 H VAL 81 H VAL 81 -17.255 -2.500 -5.699 600 HA VAL 81 HA VAL 81 -15.803 -4.912 -5.526 601 HB VAL 81 HB VAL 81 -16.230 -3.724 -7.653 602 HG11 VAL 81 HG11 VAL 81 -14.927 -1.794 -8.284 603 HG12 VAL 81 HG12 VAL 81 -15.804 -1.442 -6.793 604 HG13 VAL 81 HG13 VAL 81 -14.081 -1.816 -6.737 605 HG21 VAL 81 HG21 VAL 81 -13.352 -3.752 -7.825 606 HG22 VAL 81 HG22 VAL 81 -13.940 -5.115 -6.872 607 HG23 VAL 81 HG23 VAL 81 -14.529 -4.870 -8.516 608 H HIS 82 H HIS 82 -15.052 -1.605 -4.579 609 HA HIS 82 HA HIS 82 -12.304 -2.060 -4.016 610 HB2 HIS 82 HB2 HIS 82 -13.216 0.190 -4.420 611 HB3 HIS 82 HB3 HIS 82 -14.161 0.073 -2.938 612 HD1 HIS 82 HD1 HIS 82 -10.465 -0.502 -3.684 613 HD2 HIS 82 HD2 HIS 82 -12.936 1.577 -1.070 614 HE1 HIS 82 HE1 HIS 82 -8.917 0.683 -2.094 615 H SER 83 H SER 83 -15.261 -2.350 -2.151 616 HA SER 83 HA SER 83 -14.149 -2.528 0.414 617 HB2 SER 83 HB2 SER 83 -16.549 -2.248 0.067 618 HB3 SER 83 HB3 SER 83 -16.647 -3.839 -0.688 619 HG SER 83 HG SER 83 -15.734 -3.430 1.963 620 H ALA 84 H ALA 84 -14.702 -4.989 -2.058 621 HA ALA 84 HA ALA 84 -13.912 -7.191 -0.434 622 HB1 ALA 84 HB1 ALA 84 -15.288 -7.726 -2.255 623 HB2 ALA 84 HB2 ALA 84 -14.276 -6.835 -3.393 624 HB3 ALA 84 HB3 ALA 84 -13.698 -8.349 -2.697 625 H ALA 85 H ALA 85 -12.255 -5.271 -2.923 626 HA ALA 85 HA ALA 85 -9.842 -6.651 -2.983 627 HB1 ALA 85 HB1 ALA 85 -9.999 -3.666 -3.251 628 HB2 ALA 85 HB2 ALA 85 -8.932 -4.796 -4.084 629 HB3 ALA 85 HB3 ALA 85 -10.648 -4.747 -4.484 630 H LYS 86 H LYS 86 -10.992 -4.189 -0.747 631 HA LYS 86 HA LYS 86 -8.538 -3.706 0.562 632 HB2 LYS 86 HB2 LYS 86 -11.063 -2.642 0.695 633 HB3 LYS 86 HB3 LYS 86 -10.945 -3.490 2.231 634 HG2 LYS 86 HG2 LYS 86 -8.996 -2.244 2.843 635 HG3 LYS 86 HG3 LYS 86 -8.910 -1.505 1.242 636 HD2 LYS 86 HD2 LYS 86 -10.951 -0.303 1.621 637 HD3 LYS 86 HD3 LYS 86 -11.234 -1.166 3.135 638 HE2 LYS 86 HE2 LYS 86 -9.712 0.074 4.282 639 HE3 LYS 86 HE3 LYS 86 -8.672 0.298 2.877 640 HZ1 LYS 86 HZ1 LYS 86 -10.920 1.659 2.213 641 HZ2 LYS 86 HZ2 LYS 86 -9.505 2.349 2.831 642 HZ3 LYS 86 HZ3 LYS 86 -10.784 1.969 3.871 643 H THR 87 H THR 87 -11.098 -6.069 1.076 644 HA THR 87 HA THR 87 -10.062 -7.076 3.534 645 HB THR 87 HB THR 87 -11.818 -8.644 1.655 646 HG1 THR 87 HG1 THR 87 -13.154 -7.002 1.821 647 HG21 THR 87 HG21 THR 87 -12.593 -9.733 3.590 648 HG22 THR 87 HG22 THR 87 -11.932 -8.494 4.657 649 HG23 THR 87 HG23 THR 87 -10.850 -9.607 3.820 650 H MET 88 H MET 88 -9.628 -7.899 0.145 651 HA MET 88 HA MET 88 -8.124 -10.291 0.730 652 HB2 MET 88 HB2 MET 88 -8.702 -8.794 -1.823 653 HB3 MET 88 HB3 MET 88 -7.678 -10.222 -1.769 654 HG2 MET 88 HG2 MET 88 -9.519 -11.554 -0.947 655 HG3 MET 88 HG3 MET 88 -10.551 -10.127 -0.880 656 HE1 MET 88 HE1 MET 88 -12.281 -9.823 -2.519 657 HE2 MET 88 HE2 MET 88 -11.125 -8.678 -3.200 658 HE3 MET 88 HE3 MET 88 -12.006 -9.780 -4.260 659 H GLY 89 H GLY 89 -7.474 -6.936 0.341 660 HA2 GLY 89 HA2 GLY 89 -5.507 -5.780 0.702 661 HA3 GLY 89 HA3 GLY 89 -4.713 -7.316 1.019 662 H ILE 90 H ILE 90 -6.470 -6.726 -1.938 663 HA ILE 90 HA ILE 90 -3.954 -6.979 -3.416 664 HB ILE 90 HB ILE 90 -6.786 -7.193 -4.443 665 HG12 ILE 90 HG12 ILE 90 -4.809 -9.426 -3.960 666 HG13 ILE 90 HG13 ILE 90 -6.050 -8.971 -2.797 667 HG21 ILE 90 HG21 ILE 90 -5.223 -8.509 -6.222 668 HG22 ILE 90 HG22 ILE 90 -5.732 -6.830 -6.394 669 HG23 ILE 90 HG23 ILE 90 -4.144 -7.205 -5.726 670 HD11 ILE 90 HD11 ILE 90 -7.625 -10.077 -3.904 671 HD12 ILE 90 HD12 ILE 90 -7.118 -9.415 -5.459 672 HD13 ILE 90 HD13 ILE 90 -6.303 -10.831 -4.795 673 H ASP 91 H ASP 91 -3.337 -5.533 -5.012 674 HA ASP 91 HA ASP 91 -4.819 -2.985 -5.063 675 HB2 ASP 91 HB2 ASP 91 -1.833 -3.451 -5.092 676 HB3 ASP 91 HB3 ASP 91 -2.581 -1.899 -5.457 677 H THR 92 H THR 92 -2.881 -5.302 -6.859 678 HA THR 92 HA THR 92 -3.832 -4.061 -9.359 679 HB THR 92 HB THR 92 -1.203 -5.486 -8.903 680 HG1 THR 92 HG1 THR 92 -0.556 -3.239 -9.718 681 HG21 THR 92 HG21 THR 92 -1.466 -6.015 -11.086 682 HG22 THR 92 HG22 THR 92 -0.997 -4.335 -11.344 683 HG23 THR 92 HG23 THR 92 -2.702 -4.784 -11.342 684 H TRP 93 H TRP 93 -5.640 -5.394 -9.519 685 HA TRP 93 HA TRP 93 -5.063 -8.253 -9.941 686 HB2 TRP 93 HB2 TRP 93 -7.248 -8.796 -9.170 687 HB3 TRP 93 HB3 TRP 93 -6.583 -7.656 -8.004 688 HD1 TRP 93 HD1 TRP 93 -9.242 -7.916 -10.751 689 HE1 TRP 93 HE1 TRP 93 -10.901 -5.969 -10.472 690 HE3 TRP 93 HE3 TRP 93 -6.812 -5.298 -7.093 691 HZ2 TRP 93 HZ2 TRP 93 -11.147 -3.631 -8.909 692 HZ3 TRP 93 HZ3 TRP 93 -7.826 -3.217 -6.261 693 HH2 TRP 93 HH2 TRP 93 -9.948 -2.402 -7.152 Start of MODEL 15 1 H1 GLY 1 H GLY 1 1.655 5.007 -6.096 2 HA2 GLY 1 HA2 GLY 1 -0.221 3.110 -5.416 3 HA3 GLY 1 HA3 GLY 1 -0.202 3.121 -7.173 4 H ALA 2 H ALA 2 0.450 0.811 -6.538 5 HA ALA 2 HA ALA 2 3.190 0.484 -7.170 6 HB1 ALA 2 HB1 ALA 2 3.422 -0.909 -4.857 7 HB2 ALA 2 HB2 ALA 2 4.019 0.734 -5.096 8 HB3 ALA 2 HB3 ALA 2 2.455 0.467 -4.326 9 H MET 3 H MET 3 3.288 -1.323 -8.325 10 HA MET 3 HA MET 3 1.100 -3.183 -8.321 11 HB2 MET 3 HB2 MET 3 3.596 -2.819 -9.914 12 HB3 MET 3 HB3 MET 3 2.809 -4.391 -9.947 13 HG2 MET 3 HG2 MET 3 0.929 -3.582 -11.000 14 HG3 MET 3 HG3 MET 3 1.206 -1.931 -10.452 15 HE1 MET 3 HE1 MET 3 1.008 -4.198 -13.035 16 HE2 MET 3 HE2 MET 3 0.652 -2.701 -13.897 17 HE3 MET 3 HE3 MET 3 2.035 -3.687 -14.375 18 H ALA 4 H ALA 4 0.994 -4.396 -6.499 19 HA ALA 4 HA ALA 4 2.836 -6.544 -6.195 20 HB1 ALA 4 HB1 ALA 4 3.452 -4.161 -4.771 21 HB2 ALA 4 HB2 ALA 4 2.959 -5.394 -3.611 22 HB3 ALA 4 HB3 ALA 4 4.281 -5.717 -4.732 23 H ASN 5 H ASN 5 1.567 -8.189 -5.676 24 HA ASN 5 HA ASN 5 -0.817 -7.670 -4.031 25 HB2 ASN 5 HB2 ASN 5 -0.555 -10.208 -5.562 26 HB3 ASN 5 HB3 ASN 5 -1.984 -9.230 -5.241 27 HD21 ASN 5 HD21 ASN 5 -2.711 -7.941 -6.793 28 HD22 ASN 5 HD22 ASN 5 -1.875 -7.569 -8.258 29 HA PRO 6 HA PRO 6 0.651 -10.228 -0.781 30 HB2 PRO 6 HB2 PRO 6 -1.636 -11.426 0.057 31 HB3 PRO 6 HB3 PRO 6 -1.284 -9.719 0.348 32 HG2 PRO 6 HG2 PRO 6 -3.000 -10.965 -1.765 33 HG3 PRO 6 HG3 PRO 6 -3.313 -9.529 -0.773 34 HD2 PRO 6 HD2 PRO 6 -2.441 -9.372 -3.332 35 HD3 PRO 6 HD3 PRO 6 -1.999 -8.175 -2.098 36 H LYS 7 H LYS 7 1.594 -12.175 -0.587 37 HA LYS 7 HA LYS 7 1.617 -14.054 -2.621 38 HB2 LYS 7 HB2 LYS 7 2.193 -14.611 0.294 39 HB3 LYS 7 HB3 LYS 7 2.798 -15.513 -1.090 40 HG2 LYS 7 HG2 LYS 7 4.529 -14.149 -1.302 41 HG3 LYS 7 HG3 LYS 7 3.479 -12.730 -1.330 42 HD2 LYS 7 HD2 LYS 7 4.754 -12.323 0.548 43 HD3 LYS 7 HD3 LYS 7 3.349 -13.131 1.247 44 HE2 LYS 7 HE2 LYS 7 4.842 -15.279 0.776 45 HE3 LYS 7 HE3 LYS 7 6.139 -14.094 0.920 46 HZ1 LYS 7 HZ1 LYS 7 4.643 -15.313 2.966 47 HZ2 LYS 7 HZ2 LYS 7 4.370 -13.645 3.019 48 HZ3 LYS 7 HZ3 LYS 7 5.949 -14.246 3.106 49 H THR 8 H THR 8 -0.426 -13.868 0.231 50 HA THR 8 HA THR 8 -2.204 -15.855 -0.951 51 HB THR 8 HB THR 8 -2.456 -17.060 1.203 52 HG1 THR 8 HG1 THR 8 -1.128 -16.615 2.889 53 HG21 THR 8 HG21 THR 8 -0.806 -17.684 -0.701 54 HG22 THR 8 HG22 THR 8 -0.663 -18.500 0.856 55 HG23 THR 8 HG23 THR 8 0.440 -17.188 0.443 56 H ILE 9 H ILE 9 -4.309 -15.961 0.219 57 HA ILE 9 HA ILE 9 -4.926 -13.524 1.729 58 HB ILE 9 HB ILE 9 -7.079 -13.345 0.406 59 HG12 ILE 9 HG12 ILE 9 -5.832 -14.537 -1.962 60 HG13 ILE 9 HG13 ILE 9 -6.229 -15.715 -0.716 61 HG21 ILE 9 HG21 ILE 9 -4.742 -12.086 0.113 62 HG22 ILE 9 HG22 ILE 9 -4.876 -12.805 -1.491 63 HG23 ILE 9 HG23 ILE 9 -6.147 -11.739 -0.895 64 HD11 ILE 9 HD11 ILE 9 -7.932 -14.794 -2.635 65 HD12 ILE 9 HD12 ILE 9 -8.413 -15.568 -1.125 66 HD13 ILE 9 HD13 ILE 9 -8.370 -13.809 -1.239 67 H LYS 10 H LYS 10 -6.073 -13.956 3.491 68 HA LYS 10 HA LYS 10 -6.779 -16.484 4.338 69 HB2 LYS 10 HB2 LYS 10 -7.395 -13.732 5.179 70 HB3 LYS 10 HB3 LYS 10 -8.578 -14.930 5.684 71 HG2 LYS 10 HG2 LYS 10 -5.620 -15.108 6.214 72 HG3 LYS 10 HG3 LYS 10 -6.824 -14.525 7.365 73 HD2 LYS 10 HD2 LYS 10 -7.984 -16.787 6.985 74 HD3 LYS 10 HD3 LYS 10 -6.453 -17.295 6.267 75 HE2 LYS 10 HE2 LYS 10 -5.448 -17.458 8.262 76 HE3 LYS 10 HE3 LYS 10 -6.142 -15.942 8.835 77 HZ1 LYS 10 HZ1 LYS 10 -8.214 -17.123 9.290 78 HZ2 LYS 10 HZ2 LYS 10 -6.923 -17.789 10.157 79 HZ3 LYS 10 HZ3 LYS 10 -7.514 -18.576 8.780 80 H ALA 11 H ALA 11 -8.415 -17.843 3.960 81 HA ALA 11 HA ALA 11 -10.163 -17.588 1.841 82 HB1 ALA 11 HB1 ALA 11 -9.816 -19.750 2.672 83 HB2 ALA 11 HB2 ALA 11 -10.277 -19.291 4.311 84 HB3 ALA 11 HB3 ALA 11 -11.503 -19.396 3.047 85 H ALA 12 H ALA 12 -10.677 -16.750 5.236 86 HA ALA 12 HA ALA 12 -13.394 -16.234 5.217 87 HB1 ALA 12 HB1 ALA 12 -12.627 -14.364 6.938 88 HB2 ALA 12 HB2 ALA 12 -12.562 -16.083 7.328 89 HB3 ALA 12 HB3 ALA 12 -11.101 -15.240 6.813 90 H ALA 13 H ALA 13 -10.741 -14.253 4.042 91 HA ALA 13 HA ALA 13 -12.166 -11.849 3.692 92 HB1 ALA 13 HB1 ALA 13 -9.673 -12.122 3.650 93 HB2 ALA 13 HB2 ALA 13 -9.841 -12.776 2.020 94 HB3 ALA 13 HB3 ALA 13 -10.337 -11.118 2.360 95 H TYR 14 H TYR 14 -11.778 -14.693 1.661 96 HA TYR 14 HA TYR 14 -12.810 -13.642 -0.728 97 HB2 TYR 14 HB2 TYR 14 -11.641 -15.920 -0.246 98 HB3 TYR 14 HB3 TYR 14 -13.271 -16.496 0.085 99 HD1 TYR 14 HD1 TYR 14 -11.469 -14.526 -2.539 100 HD2 TYR 14 HD2 TYR 14 -14.403 -17.480 -1.662 101 HE1 TYR 14 HE1 TYR 14 -11.827 -14.877 -4.947 102 HE2 TYR 14 HE2 TYR 14 -14.768 -17.841 -4.067 103 HH TYR 14 HH TYR 14 -12.693 -16.459 -6.468 104 H ASN 15 H ASN 15 -14.442 -15.479 1.852 105 HA ASN 15 HA ASN 15 -17.013 -15.401 0.752 106 HB2 ASN 15 HB2 ASN 15 -15.995 -15.698 3.569 107 HB3 ASN 15 HB3 ASN 15 -17.722 -15.663 3.225 108 HD21 ASN 15 HD21 ASN 15 -14.724 -17.301 2.322 109 HD22 ASN 15 HD22 ASN 15 -15.449 -18.840 2.020 110 H GLN 16 H GLN 16 -15.238 -13.059 2.651 111 HA GLN 16 HA GLN 16 -17.489 -11.386 3.210 112 HB2 GLN 16 HB2 GLN 16 -15.084 -11.558 4.335 113 HB3 GLN 16 HB3 GLN 16 -14.724 -10.278 3.185 114 HG2 GLN 16 HG2 GLN 16 -16.832 -10.249 5.330 115 HG3 GLN 16 HG3 GLN 16 -15.346 -9.303 5.279 116 HE21 GLN 16 HE21 GLN 16 -18.600 -9.270 4.675 117 HE22 GLN 16 HE22 GLN 16 -18.676 -7.890 3.637 118 H ALA 17 H ALA 17 -15.067 -11.563 0.681 119 HA ALA 17 HA ALA 17 -15.537 -9.044 -0.494 120 HB1 ALA 17 HB1 ALA 17 -13.542 -10.247 -1.038 121 HB2 ALA 17 HB2 ALA 17 -14.473 -11.604 -1.674 122 HB3 ALA 17 HB3 ALA 17 -14.486 -10.055 -2.516 123 H ARG 18 H ARG 18 -16.802 -12.271 -1.318 124 HA ARG 18 HA ARG 18 -18.524 -11.315 -3.368 125 HB2 ARG 18 HB2 ARG 18 -19.603 -13.607 -3.084 126 HB3 ARG 18 HB3 ARG 18 -17.901 -13.583 -3.524 127 HG2 ARG 18 HG2 ARG 18 -17.368 -14.769 -1.735 128 HG3 ARG 18 HG3 ARG 18 -18.168 -13.610 -0.672 129 HD2 ARG 18 HD2 ARG 18 -19.145 -15.809 -0.391 130 HD3 ARG 18 HD3 ARG 18 -20.319 -14.713 -1.120 131 HE ARG 18 HE ARG 18 -18.815 -16.282 -3.014 132 HH11 ARG 18 HH11 ARG 18 -21.652 -16.123 -1.003 133 HH12 ARG 18 HH12 ARG 18 -22.546 -17.267 -1.947 134 HH21 ARG 18 HH21 ARG 18 -19.981 -17.791 -4.266 135 HH22 ARG 18 HH22 ARG 18 -21.594 -18.216 -3.803 136 H SER 19 H SER 19 -18.884 -11.865 0.074 137 HA SER 19 HA SER 19 -21.660 -11.824 0.292 138 HB2 SER 19 HB2 SER 19 -20.468 -12.414 2.239 139 HB3 SER 19 HB3 SER 19 -19.463 -10.967 2.167 140 HG SER 19 HG SER 19 -21.095 -9.771 2.946 141 H THR 20 H THR 20 -19.365 -9.111 0.463 142 HA THR 20 HA THR 20 -21.215 -7.066 0.867 143 HB THR 20 HB THR 20 -18.624 -6.872 -0.680 144 HG1 THR 20 HG1 THR 20 -19.038 -6.331 2.080 145 HG21 THR 20 HG21 THR 20 -19.461 -4.798 -1.046 146 HG22 THR 20 HG22 THR 20 -18.889 -4.516 0.598 147 HG23 THR 20 HG23 THR 20 -20.586 -4.897 0.307 148 H LEU 21 H LEU 21 -20.008 -8.485 -2.145 149 HA LEU 21 HA LEU 21 -21.355 -6.697 -3.879 150 HB2 LEU 21 HB2 LEU 21 -20.595 -9.534 -4.522 151 HB3 LEU 21 HB3 LEU 21 -20.762 -8.177 -5.635 152 HG LEU 21 HG LEU 21 -18.674 -8.069 -3.503 153 HD11 LEU 21 HD11 LEU 21 -18.827 -10.138 -5.451 154 HD12 LEU 21 HD12 LEU 21 -17.551 -9.812 -4.279 155 HD13 LEU 21 HD13 LEU 21 -17.497 -9.060 -5.873 156 HD21 LEU 21 HD21 LEU 21 -19.006 -6.961 -6.281 157 HD22 LEU 21 HD22 LEU 21 -17.494 -6.865 -5.379 158 HD23 LEU 21 HD23 LEU 21 -18.945 -6.077 -4.756 159 H ALA 22 H ALA 22 -22.303 -9.622 -2.237 160 HA ALA 22 HA ALA 22 -24.492 -10.436 -3.717 161 HB1 ALA 22 HB1 ALA 22 -23.422 -11.443 -1.581 162 HB2 ALA 22 HB2 ALA 22 -24.607 -10.452 -0.729 163 HB3 ALA 22 HB3 ALA 22 -25.145 -11.677 -1.877 164 H ASP 23 H ASP 23 -24.128 -7.647 -1.684 165 HA ASP 23 HA ASP 23 -26.793 -7.056 -1.110 166 HB2 ASP 23 HB2 ASP 23 -24.323 -5.385 -1.425 167 HB3 ASP 23 HB3 ASP 23 -25.885 -4.605 -1.192 168 H ALA 24 H ALA 24 -24.906 -6.533 -4.018 169 HA ALA 24 HA ALA 24 -27.244 -5.283 -5.295 170 HB1 ALA 24 HB1 ALA 24 -24.360 -5.243 -6.175 171 HB2 ALA 24 HB2 ALA 24 -25.701 -4.417 -6.970 172 HB3 ALA 24 HB3 ALA 24 -25.204 -3.934 -5.348 173 H GLY 25 H GLY 25 -25.163 -8.044 -5.309 174 HA2 GLY 25 HA2 GLY 25 -26.371 -10.005 -6.368 175 HA3 GLY 25 HA3 GLY 25 -26.429 -8.993 -7.803 176 H SER 26 H SER 26 -25.208 -11.622 -7.444 177 HA SER 26 HA SER 26 -22.428 -10.905 -8.113 178 HB2 SER 26 HB2 SER 26 -22.292 -13.546 -7.338 179 HB3 SER 26 HB3 SER 26 -21.862 -12.165 -6.329 180 HG SER 26 HG SER 26 -23.342 -13.477 -5.246 181 H ARG 27 H ARG 27 -21.998 -11.253 -10.179 182 HA ARG 27 HA ARG 27 -23.710 -12.864 -11.826 183 HB2 ARG 27 HB2 ARG 27 -21.993 -10.731 -12.264 184 HB3 ARG 27 HB3 ARG 27 -21.175 -12.085 -13.032 185 HG2 ARG 27 HG2 ARG 27 -22.553 -10.969 -14.647 186 HG3 ARG 27 HG3 ARG 27 -23.236 -12.560 -14.307 187 HD2 ARG 27 HD2 ARG 27 -24.967 -11.647 -12.991 188 HD3 ARG 27 HD3 ARG 27 -24.169 -10.077 -12.895 189 HE ARG 27 HE ARG 27 -25.156 -9.517 -14.873 190 HH11 ARG 27 HH11 ARG 27 -25.171 -12.985 -14.564 191 HH12 ARG 27 HH12 ARG 27 -26.119 -13.238 -15.992 192 HH21 ARG 27 HH21 ARG 27 -26.404 -9.838 -16.755 193 HH22 ARG 27 HH22 ARG 27 -26.819 -11.448 -17.238 194 H THR 28 H THR 28 -20.203 -12.993 -11.174 195 HA THR 28 HA THR 28 -20.010 -15.679 -12.177 196 HB THR 28 HB THR 28 -17.693 -15.545 -11.793 197 HG1 THR 28 HG1 THR 28 -18.287 -13.457 -9.944 198 HG21 THR 28 HG21 THR 28 -18.157 -12.624 -12.137 199 HG22 THR 28 HG22 THR 28 -18.846 -13.725 -13.329 200 HG23 THR 28 HG23 THR 28 -17.107 -13.714 -13.041 201 H ALA 29 H ALA 29 -19.893 -14.146 -8.983 202 HA ALA 29 HA ALA 29 -19.279 -16.401 -7.461 203 HB1 ALA 29 HB1 ALA 29 -19.268 -14.816 -5.910 204 HB2 ALA 29 HB2 ALA 29 -20.149 -13.718 -6.974 205 HB3 ALA 29 HB3 ALA 29 -21.032 -14.828 -5.925 206 H ALA 30 H ALA 30 -22.276 -15.390 -8.921 207 HA ALA 30 HA ALA 30 -24.109 -16.867 -7.427 208 HB1 ALA 30 HB1 ALA 30 -25.191 -15.460 -8.848 209 HB2 ALA 30 HB2 ALA 30 -24.059 -15.743 -10.171 210 HB3 ALA 30 HB3 ALA 30 -25.298 -16.941 -9.799 211 H LYS 31 H LYS 31 -22.147 -17.815 -10.219 212 HA LYS 31 HA LYS 31 -23.202 -20.525 -10.128 213 HB2 LYS 31 HB2 LYS 31 -22.755 -19.333 -12.292 214 HB3 LYS 31 HB3 LYS 31 -21.038 -19.403 -11.915 215 HG2 LYS 31 HG2 LYS 31 -21.546 -21.977 -11.671 216 HG3 LYS 31 HG3 LYS 31 -22.894 -21.571 -12.735 217 HD2 LYS 31 HD2 LYS 31 -21.552 -21.338 -14.509 218 HD3 LYS 31 HD3 LYS 31 -20.383 -20.379 -13.598 219 HE2 LYS 31 HE2 LYS 31 -19.319 -22.396 -14.368 220 HE3 LYS 31 HE3 LYS 31 -19.498 -22.472 -12.616 221 HZ1 LYS 31 HZ1 LYS 31 -21.785 -23.608 -13.618 222 HZ2 LYS 31 HZ2 LYS 31 -20.471 -24.425 -12.933 223 HZ3 LYS 31 HZ3 LYS 31 -20.552 -24.209 -14.609 224 H SER 32 H SER 32 -20.420 -18.730 -9.105 225 HA SER 32 HA SER 32 -18.872 -21.141 -8.577 226 HB2 SER 32 HB2 SER 32 -17.033 -19.795 -8.452 227 HB3 SER 32 HB3 SER 32 -18.065 -18.694 -9.364 228 HG SER 32 HG SER 32 -16.934 -18.156 -7.127 229 H HIS 33 H HIS 33 -17.619 -20.902 -6.329 230 HA HIS 33 HA HIS 33 -19.556 -20.247 -4.223 231 HB2 HIS 33 HB2 HIS 33 -18.465 -22.900 -4.897 232 HB3 HIS 33 HB3 HIS 33 -18.370 -22.477 -3.190 233 HD1 HIS 33 HD1 HIS 33 -20.373 -23.092 -1.889 234 HD2 HIS 33 HD2 HIS 33 -21.274 -22.473 -5.897 235 HE1 HIS 33 HE1 HIS 33 -22.820 -23.625 -2.118 236 HA PRO 34 HA PRO 34 -16.182 -18.484 -2.045 237 HB2 PRO 34 HB2 PRO 34 -16.778 -19.091 0.533 238 HB3 PRO 34 HB3 PRO 34 -17.678 -17.893 -0.404 239 HG2 PRO 34 HG2 PRO 34 -18.367 -20.747 0.180 240 HG3 PRO 34 HG3 PRO 34 -19.413 -19.315 0.207 241 HD2 PRO 34 HD2 PRO 34 -19.373 -21.051 -1.871 242 HD3 PRO 34 HD3 PRO 34 -19.686 -19.316 -2.082 243 H ILE 35 H ILE 35 -14.770 -19.138 0.095 244 HA ILE 35 HA ILE 35 -13.645 -21.788 -0.537 245 HB ILE 35 HB ILE 35 -12.219 -19.355 0.546 246 HG12 ILE 35 HG12 ILE 35 -11.952 -20.743 -2.129 247 HG13 ILE 35 HG13 ILE 35 -12.830 -19.241 -1.863 248 HG21 ILE 35 HG21 ILE 35 -10.173 -20.746 0.188 249 HG22 ILE 35 HG22 ILE 35 -11.224 -21.309 1.487 250 HG23 ILE 35 HG23 ILE 35 -11.232 -22.132 -0.073 251 HD11 ILE 35 HD11 ILE 35 -10.395 -18.652 -0.805 252 HD12 ILE 35 HD12 ILE 35 -9.967 -19.721 -2.142 253 HD13 ILE 35 HD13 ILE 35 -10.914 -18.265 -2.445 254 H HIS 36 H HIS 36 -13.706 -23.269 1.014 255 HA HIS 36 HA HIS 36 -13.741 -22.412 3.819 256 HB2 HIS 36 HB2 HIS 36 -15.962 -23.530 2.415 257 HB3 HIS 36 HB3 HIS 36 -15.401 -24.713 3.593 258 HD1 HIS 36 HD1 HIS 36 -15.080 -23.603 6.118 259 HD2 HIS 36 HD2 HIS 36 -17.661 -21.713 3.467 260 HE1 HIS 36 HE1 HIS 36 -16.564 -22.156 7.541 261 H GLY 37 H GLY 37 -13.107 -24.089 5.329 262 HA2 GLY 37 HA2 GLY 37 -11.598 -25.682 6.012 263 HA3 GLY 37 HA3 GLY 37 -12.273 -26.650 4.710 264 H LYS 38 H LYS 38 -10.337 -23.671 4.624 265 HA LYS 38 HA LYS 38 -8.155 -25.164 3.362 266 HB2 LYS 38 HB2 LYS 38 -9.631 -22.822 2.188 267 HB3 LYS 38 HB3 LYS 38 -7.964 -23.161 1.740 268 HG2 LYS 38 HG2 LYS 38 -8.976 -25.580 1.320 269 HG3 LYS 38 HG3 LYS 38 -10.448 -24.633 1.083 270 HD2 LYS 38 HD2 LYS 38 -9.708 -24.421 -1.028 271 HD3 LYS 38 HD3 LYS 38 -8.641 -23.188 -0.350 272 HE2 LYS 38 HE2 LYS 38 -6.799 -24.506 -0.505 273 HE3 LYS 38 HE3 LYS 38 -7.702 -25.990 -0.209 274 HZ1 LYS 38 HZ1 LYS 38 -7.382 -24.507 -2.743 275 HZ2 LYS 38 HZ2 LYS 38 -8.658 -25.596 -2.524 276 HZ3 LYS 38 HZ3 LYS 38 -7.059 -26.137 -2.423 277 H THR 39 H THR 39 -6.167 -24.496 3.952 278 HA THR 39 HA THR 39 -5.823 -22.816 6.163 279 HB THR 39 HB THR 39 -3.559 -23.239 4.257 280 HG1 THR 39 HG1 THR 39 -3.376 -25.395 5.131 281 HG21 THR 39 HG21 THR 39 -3.945 -23.142 7.231 282 HG22 THR 39 HG22 THR 39 -2.877 -22.171 6.218 283 HG23 THR 39 HG23 THR 39 -2.499 -23.865 6.528 284 H ASP 40 H ASP 40 -5.192 -22.216 2.716 285 HA ASP 40 HA ASP 40 -5.966 -19.532 2.779 286 HB2 ASP 40 HB2 ASP 40 -3.575 -18.586 2.405 287 HB3 ASP 40 HB3 ASP 40 -4.124 -18.880 4.052 288 H VAL 41 H VAL 41 -5.974 -18.611 0.740 289 HA VAL 41 HA VAL 41 -4.999 -20.358 -1.424 290 HB VAL 41 HB VAL 41 -6.773 -19.149 -2.814 291 HG11 VAL 41 HG11 VAL 41 -8.274 -20.674 -0.811 292 HG12 VAL 41 HG12 VAL 41 -8.072 -20.959 -2.541 293 HG13 VAL 41 HG13 VAL 41 -6.824 -21.480 -1.409 294 HG21 VAL 41 HG21 VAL 41 -8.279 -17.767 -1.870 295 HG22 VAL 41 HG22 VAL 41 -8.354 -18.700 -0.375 296 HG23 VAL 41 HG23 VAL 41 -7.035 -17.559 -0.637 297 HA PRO 42 HA PRO 42 -2.452 -17.139 -2.982 298 HB2 PRO 42 HB2 PRO 42 -2.631 -17.558 -5.658 299 HB3 PRO 42 HB3 PRO 42 -1.738 -18.632 -4.576 300 HG2 PRO 42 HG2 PRO 42 -4.492 -18.946 -5.705 301 HG3 PRO 42 HG3 PRO 42 -3.208 -20.157 -5.536 302 HD2 PRO 42 HD2 PRO 42 -5.285 -19.984 -3.807 303 HD3 PRO 42 HD3 PRO 42 -3.666 -20.515 -3.306 304 H VAL 43 H VAL 43 -2.451 -15.114 -4.036 305 HA VAL 43 HA VAL 43 -4.742 -13.589 -3.858 306 HB VAL 43 HB VAL 43 -2.607 -12.507 -3.967 307 HG11 VAL 43 HG11 VAL 43 -1.018 -13.260 -5.321 308 HG12 VAL 43 HG12 VAL 43 -2.189 -14.255 -6.189 309 HG13 VAL 43 HG13 VAL 43 -1.898 -12.590 -6.694 310 HG21 VAL 43 HG21 VAL 43 -4.818 -11.616 -5.271 311 HG22 VAL 43 HG22 VAL 43 -3.358 -10.662 -5.011 312 HG23 VAL 43 HG23 VAL 43 -3.599 -11.505 -6.541 313 H SER 44 H SER 44 -3.608 -15.549 -6.518 314 HA SER 44 HA SER 44 -5.095 -14.507 -8.619 315 HB2 SER 44 HB2 SER 44 -3.517 -16.807 -8.161 316 HB3 SER 44 HB3 SER 44 -5.062 -17.379 -8.792 317 HG SER 44 HG SER 44 -3.319 -16.727 -10.341 318 H TYR 45 H TYR 45 -6.064 -16.611 -5.991 319 HA TYR 45 HA TYR 45 -8.583 -17.358 -7.073 320 HB2 TYR 45 HB2 TYR 45 -7.181 -18.360 -5.075 321 HB3 TYR 45 HB3 TYR 45 -8.128 -17.223 -4.121 322 HD1 TYR 45 HD1 TYR 45 -10.767 -17.287 -5.060 323 HD2 TYR 45 HD2 TYR 45 -7.990 -20.507 -4.928 324 HE1 TYR 45 HE1 TYR 45 -12.634 -18.887 -5.000 325 HE2 TYR 45 HE2 TYR 45 -9.849 -22.116 -4.870 326 HH TYR 45 HH TYR 45 -12.407 -22.005 -5.712 327 H GLY 46 H GLY 46 -7.617 -14.905 -4.680 328 HA2 GLY 46 HA2 GLY 46 -10.232 -13.879 -4.290 329 HA3 GLY 46 HA3 GLY 46 -8.732 -13.071 -3.858 330 H THR 47 H THR 47 -7.580 -12.917 -6.425 331 HA THR 47 HA THR 47 -8.646 -10.521 -7.366 332 HB THR 47 HB THR 47 -7.248 -10.879 -9.392 333 HG1 THR 47 HG1 THR 47 -6.693 -12.851 -9.890 334 HG21 THR 47 HG21 THR 47 -6.216 -11.145 -6.619 335 HG22 THR 47 HG22 THR 47 -5.949 -9.870 -7.809 336 HG23 THR 47 HG23 THR 47 -5.077 -11.397 -7.941 337 H SER 48 H SER 48 -9.291 -13.839 -8.322 338 HA SER 48 HA SER 48 -10.673 -13.335 -10.709 339 HB2 SER 48 HB2 SER 48 -9.881 -15.582 -9.898 340 HB3 SER 48 HB3 SER 48 -11.239 -15.589 -8.773 341 HG SER 48 HG SER 48 -12.642 -15.691 -10.455 342 H LEU 49 H LEU 49 -11.777 -13.460 -7.356 343 HA LEU 49 HA LEU 49 -14.539 -13.102 -8.014 344 HB2 LEU 49 HB2 LEU 49 -13.881 -14.221 -5.966 345 HB3 LEU 49 HB3 LEU 49 -13.054 -12.767 -5.412 346 HG LEU 49 HG LEU 49 -15.069 -11.655 -4.966 347 HD11 LEU 49 HD11 LEU 49 -16.184 -13.556 -6.932 348 HD12 LEU 49 HD12 LEU 49 -16.539 -11.849 -6.670 349 HD13 LEU 49 HD13 LEU 49 -17.248 -13.068 -5.613 350 HD21 LEU 49 HD21 LEU 49 -15.735 -12.868 -3.200 351 HD22 LEU 49 HD22 LEU 49 -14.470 -13.988 -3.706 352 HD23 LEU 49 HD23 LEU 49 -16.143 -14.271 -4.188 353 H LEU 50 H LEU 50 -11.885 -10.992 -7.074 354 HA LEU 50 HA LEU 50 -13.434 -8.658 -6.667 355 HB2 LEU 50 HB2 LEU 50 -10.999 -9.178 -5.987 356 HB3 LEU 50 HB3 LEU 50 -10.590 -8.625 -7.610 357 HG LEU 50 HG LEU 50 -11.411 -6.424 -7.135 358 HD11 LEU 50 HD11 LEU 50 -13.139 -6.224 -5.751 359 HD12 LEU 50 HD12 LEU 50 -11.983 -6.351 -4.426 360 HD13 LEU 50 HD13 LEU 50 -12.819 -7.791 -5.007 361 HD21 LEU 50 HD21 LEU 50 -9.901 -7.116 -4.650 362 HD22 LEU 50 HD22 LEU 50 -9.739 -5.714 -5.707 363 HD23 LEU 50 HD23 LEU 50 -9.134 -7.287 -6.229 364 H ALA 51 H ALA 51 -11.586 -9.842 -9.462 365 HA ALA 51 HA ALA 51 -12.252 -7.651 -11.146 366 HB1 ALA 51 HB1 ALA 51 -11.666 -9.794 -12.813 367 HB2 ALA 51 HB2 ALA 51 -10.537 -8.576 -12.218 368 HB3 ALA 51 HB3 ALA 51 -10.730 -10.099 -11.350 369 H ALA 52 H ALA 52 -13.726 -10.764 -10.489 370 HA ALA 52 HA ALA 52 -15.473 -10.936 -12.659 371 HB1 ALA 52 HB1 ALA 52 -15.272 -12.144 -9.997 372 HB2 ALA 52 HB2 ALA 52 -16.909 -12.081 -10.651 373 HB3 ALA 52 HB3 ALA 52 -15.628 -12.884 -11.558 374 H ALA 53 H ALA 53 -15.972 -9.452 -9.465 375 HA ALA 53 HA ALA 53 -18.608 -8.543 -10.055 376 HB1 ALA 53 HB1 ALA 53 -17.645 -6.943 -8.002 377 HB2 ALA 53 HB2 ALA 53 -18.556 -8.444 -7.833 378 HB3 ALA 53 HB3 ALA 53 -16.793 -8.474 -7.805 379 H ARG 54 H ARG 54 -15.413 -7.008 -10.054 380 HA ARG 54 HA ARG 54 -16.175 -4.385 -10.544 381 HB2 ARG 54 HB2 ARG 54 -13.921 -4.607 -10.085 382 HB3 ARG 54 HB3 ARG 54 -13.731 -5.988 -11.157 383 HG2 ARG 54 HG2 ARG 54 -13.415 -4.693 -13.002 384 HG3 ARG 54 HG3 ARG 54 -14.397 -3.367 -12.376 385 HD2 ARG 54 HD2 ARG 54 -12.603 -2.336 -11.562 386 HD3 ARG 54 HD3 ARG 54 -12.087 -3.793 -10.713 387 HE ARG 54 HE ARG 54 -11.460 -4.079 -13.425 388 HH11 ARG 54 HH11 ARG 54 -10.529 -2.160 -10.673 389 HH12 ARG 54 HH12 ARG 54 -8.908 -1.912 -11.230 390 HH21 ARG 54 HH21 ARG 54 -9.328 -3.760 -14.169 391 HH22 ARG 54 HH22 ARG 54 -8.225 -2.822 -13.219 392 H ASP 55 H ASP 55 -15.351 -6.907 -12.922 393 HA ASP 55 HA ASP 55 -15.867 -5.375 -15.213 394 HB2 ASP 55 HB2 ASP 55 -14.830 -7.825 -14.809 395 HB3 ASP 55 HB3 ASP 55 -16.449 -8.282 -15.333 396 H GLU 56 H GLU 56 -17.965 -7.548 -13.355 397 HA GLU 56 HA GLU 56 -20.212 -7.430 -15.010 398 HB2 GLU 56 HB2 GLU 56 -20.155 -9.076 -13.294 399 HB3 GLU 56 HB3 GLU 56 -19.928 -7.864 -12.041 400 HG2 GLU 56 HG2 GLU 56 -22.187 -8.757 -12.014 401 HG3 GLU 56 HG3 GLU 56 -22.182 -7.037 -12.402 402 H PHE 57 H PHE 57 -19.329 -5.412 -12.223 403 HA PHE 57 HA PHE 57 -21.611 -3.790 -12.219 404 HB2 PHE 57 HB2 PHE 57 -18.786 -3.166 -11.337 405 HB3 PHE 57 HB3 PHE 57 -20.183 -2.156 -10.982 406 HD1 PHE 57 HD1 PHE 57 -22.172 -4.341 -10.428 407 HD2 PHE 57 HD2 PHE 57 -18.141 -3.799 -9.174 408 HE1 PHE 57 HE1 PHE 57 -22.624 -5.675 -8.411 409 HE2 PHE 57 HE2 PHE 57 -18.586 -5.133 -7.155 410 HZ PHE 57 HZ PHE 57 -20.829 -6.073 -6.772 411 H ARG 58 H ARG 58 -18.786 -3.772 -14.232 412 HA ARG 58 HA ARG 58 -18.804 -1.151 -15.172 413 HB2 ARG 58 HB2 ARG 58 -17.084 -2.969 -15.623 414 HB3 ARG 58 HB3 ARG 58 -18.171 -3.561 -16.871 415 HG2 ARG 58 HG2 ARG 58 -18.019 -0.976 -17.586 416 HG3 ARG 58 HG3 ARG 58 -16.433 -1.185 -16.840 417 HD2 ARG 58 HD2 ARG 58 -17.597 -2.887 -19.042 418 HD3 ARG 58 HD3 ARG 58 -16.359 -1.647 -19.238 419 HE ARG 58 HE ARG 58 -15.306 -3.343 -17.391 420 HH11 ARG 58 HH11 ARG 58 -16.606 -3.732 -20.597 421 HH12 ARG 58 HH12 ARG 58 -15.595 -5.085 -20.984 422 HH21 ARG 58 HH21 ARG 58 -13.969 -5.123 -17.889 423 HH22 ARG 58 HH22 ARG 58 -14.096 -5.876 -19.443 424 H GLN 59 H GLN 59 -20.707 -3.946 -16.170 425 HA GLN 59 HA GLN 59 -21.921 -2.618 -18.397 426 HB2 GLN 59 HB2 GLN 59 -21.766 -5.003 -18.480 427 HB3 GLN 59 HB3 GLN 59 -22.578 -5.171 -16.929 428 HG2 GLN 59 HG2 GLN 59 -23.982 -5.734 -18.901 429 HG3 GLN 59 HG3 GLN 59 -24.658 -4.489 -17.852 430 HE21 GLN 59 HE21 GLN 59 -25.903 -3.456 -19.321 431 HE22 GLN 59 HE22 GLN 59 -25.284 -2.623 -20.702 432 H ALA 60 H ALA 60 -22.736 -3.122 -15.022 433 HA ALA 60 HA ALA 60 -25.428 -2.419 -15.051 434 HB1 ALA 60 HB1 ALA 60 -25.182 -1.914 -12.698 435 HB2 ALA 60 HB2 ALA 60 -24.251 -3.357 -13.100 436 HB3 ALA 60 HB3 ALA 60 -23.430 -1.813 -12.876 437 H ASP 61 H ASP 61 -22.571 -0.339 -14.668 438 HA ASP 61 HA ASP 61 -24.263 2.036 -14.837 439 HB2 ASP 61 HB2 ASP 61 -22.397 3.281 -14.076 440 HB3 ASP 61 HB3 ASP 61 -22.375 1.788 -13.143 441 H LYS 62 H LYS 62 -23.987 0.353 -17.155 442 HA LYS 62 HA LYS 62 -22.147 1.613 -18.968 443 HB2 LYS 62 HB2 LYS 62 -22.787 -0.757 -19.203 444 HB3 LYS 62 HB3 LYS 62 -24.446 -0.272 -19.525 445 HG2 LYS 62 HG2 LYS 62 -22.456 0.979 -21.273 446 HG3 LYS 62 HG3 LYS 62 -22.578 -0.776 -21.424 447 HD2 LYS 62 HD2 LYS 62 -24.932 -0.628 -21.884 448 HD3 LYS 62 HD3 LYS 62 -24.934 1.105 -21.544 449 HE2 LYS 62 HE2 LYS 62 -23.842 1.623 -23.515 450 HE3 LYS 62 HE3 LYS 62 -23.142 0.012 -23.671 451 HZ1 LYS 62 HZ1 LYS 62 -24.858 0.289 -25.297 452 HZ2 LYS 62 HZ2 LYS 62 -25.979 0.762 -24.122 453 HZ3 LYS 62 HZ3 LYS 62 -25.397 -0.826 -24.144 454 H LYS 63 H LYS 63 -25.544 1.909 -18.171 455 HA LYS 63 HA LYS 63 -26.247 3.525 -20.413 456 HB2 LYS 63 HB2 LYS 63 -27.991 2.330 -19.290 457 HB3 LYS 63 HB3 LYS 63 -27.571 3.051 -17.742 458 HG2 LYS 63 HG2 LYS 63 -28.261 4.985 -19.830 459 HG3 LYS 63 HG3 LYS 63 -29.574 3.901 -19.363 460 HD2 LYS 63 HD2 LYS 63 -27.915 5.426 -17.366 461 HD3 LYS 63 HD3 LYS 63 -29.405 6.064 -18.064 462 HE2 LYS 63 HE2 LYS 63 -29.645 3.344 -17.011 463 HE3 LYS 63 HE3 LYS 63 -29.240 4.551 -15.792 464 HZ1 LYS 63 HZ1 LYS 63 -31.162 5.856 -16.937 465 HZ2 LYS 63 HZ2 LYS 63 -31.509 4.660 -15.793 466 HZ3 LYS 63 HZ3 LYS 63 -31.654 4.319 -17.443 467 H LEU 64 H LEU 64 -24.717 4.134 -17.389 468 HA LEU 64 HA LEU 64 -25.295 6.969 -17.389 469 HB2 LEU 64 HB2 LEU 64 -23.182 5.696 -15.704 470 HB3 LEU 64 HB3 LEU 64 -24.223 7.069 -15.338 471 HG LEU 64 HG LEU 64 -25.195 4.220 -15.496 472 HD11 LEU 64 HD11 LEU 64 -23.459 4.920 -13.650 473 HD12 LEU 64 HD12 LEU 64 -24.871 3.943 -13.250 474 HD13 LEU 64 HD13 LEU 64 -24.877 5.675 -12.920 475 HD21 LEU 64 HD21 LEU 64 -26.535 6.698 -15.443 476 HD22 LEU 64 HD22 LEU 64 -26.732 5.976 -13.846 477 HD23 LEU 64 HD23 LEU 64 -27.227 5.083 -15.285 478 HA PRO 65 HA PRO 65 -21.860 8.347 -19.751 479 HB2 PRO 65 HB2 PRO 65 -21.306 10.707 -18.529 480 HB3 PRO 65 HB3 PRO 65 -22.728 10.464 -19.550 481 HG2 PRO 65 HG2 PRO 65 -22.508 10.413 -16.565 482 HG3 PRO 65 HG3 PRO 65 -23.755 11.158 -17.583 483 HD2 PRO 65 HD2 PRO 65 -24.112 8.772 -16.353 484 HD3 PRO 65 HD3 PRO 65 -24.852 9.160 -17.920 485 H ALA 66 H ALA 66 -19.608 8.538 -19.748 486 HA ALA 66 HA ALA 66 -18.178 7.049 -17.902 487 HB1 ALA 66 HB1 ALA 66 -16.450 7.383 -19.281 488 HB2 ALA 66 HB2 ALA 66 -17.611 8.235 -20.300 489 HB3 ALA 66 HB3 ALA 66 -16.589 9.138 -19.182 490 H LYS 67 H LYS 67 -18.947 10.465 -17.903 491 HA LYS 67 HA LYS 67 -17.111 11.251 -15.893 492 HB2 LYS 67 HB2 LYS 67 -18.294 13.313 -15.825 493 HB3 LYS 67 HB3 LYS 67 -18.320 12.777 -17.500 494 HG2 LYS 67 HG2 LYS 67 -20.612 11.791 -16.968 495 HG3 LYS 67 HG3 LYS 67 -20.552 12.768 -15.499 496 HD2 LYS 67 HD2 LYS 67 -20.718 14.744 -16.645 497 HD3 LYS 67 HD3 LYS 67 -19.948 14.093 -18.094 498 HE2 LYS 67 HE2 LYS 67 -21.906 13.126 -18.856 499 HE3 LYS 67 HE3 LYS 67 -22.626 13.072 -17.248 500 HZ1 LYS 67 HZ1 LYS 67 -23.474 15.107 -17.485 501 HZ2 LYS 67 HZ2 LYS 67 -23.185 14.913 -19.140 502 HZ3 LYS 67 HZ3 LYS 67 -22.064 15.737 -18.177 503 H ASP 68 H ASP 68 -20.263 9.782 -15.820 504 HA ASP 68 HA ASP 68 -20.529 10.225 -12.947 505 HB2 ASP 68 HB2 ASP 68 -22.467 10.428 -14.611 506 HB3 ASP 68 HB3 ASP 68 -22.429 8.669 -14.695 507 H LYS 69 H LYS 69 -18.386 8.555 -13.959 508 HA LYS 69 HA LYS 69 -18.800 6.283 -12.252 509 HB2 LYS 69 HB2 LYS 69 -18.421 4.561 -13.931 510 HB3 LYS 69 HB3 LYS 69 -19.861 5.489 -14.328 511 HG2 LYS 69 HG2 LYS 69 -18.620 6.745 -15.994 512 HG3 LYS 69 HG3 LYS 69 -17.145 5.873 -15.571 513 HD2 LYS 69 HD2 LYS 69 -17.907 4.747 -17.459 514 HD3 LYS 69 HD3 LYS 69 -18.504 3.752 -16.129 515 HE2 LYS 69 HE2 LYS 69 -20.697 4.560 -16.371 516 HE3 LYS 69 HE3 LYS 69 -20.177 5.921 -17.362 517 HZ1 LYS 69 HZ1 LYS 69 -19.736 4.488 -19.173 518 HZ2 LYS 69 HZ2 LYS 69 -21.266 4.060 -18.593 519 HZ3 LYS 69 HZ3 LYS 69 -19.924 3.097 -18.228 520 H LYS 70 H LYS 70 -16.903 5.505 -11.466 521 HA LYS 70 HA LYS 70 -14.494 6.943 -12.219 522 HB2 LYS 70 HB2 LYS 70 -15.023 6.683 -9.845 523 HB3 LYS 70 HB3 LYS 70 -15.003 4.933 -10.017 524 HG2 LYS 70 HG2 LYS 70 -12.953 5.800 -8.992 525 HG3 LYS 70 HG3 LYS 70 -12.640 4.971 -10.519 526 HD2 LYS 70 HD2 LYS 70 -11.337 7.019 -10.380 527 HD3 LYS 70 HD3 LYS 70 -12.543 7.143 -11.663 528 HE2 LYS 70 HE2 LYS 70 -13.801 8.682 -10.517 529 HE3 LYS 70 HE3 LYS 70 -13.248 8.120 -8.940 530 HZ1 LYS 70 HZ1 LYS 70 -11.666 9.651 -8.933 531 HZ2 LYS 70 HZ2 LYS 70 -12.323 10.304 -10.348 532 HZ3 LYS 70 HZ3 LYS 70 -11.082 9.158 -10.443 533 H SER 71 H SER 71 -13.100 6.185 -13.655 534 HA SER 71 HA SER 71 -11.796 4.761 -14.868 535 HB2 SER 71 HB2 SER 71 -12.269 3.345 -12.433 536 HB3 SER 71 HB3 SER 71 -12.373 2.198 -13.768 537 HG SER 71 HG SER 71 -10.200 3.001 -12.687 538 H ASP 72 H ASP 72 -14.429 2.553 -13.953 539 HA ASP 72 HA ASP 72 -15.765 2.818 -16.471 540 HB2 ASP 72 HB2 ASP 72 -13.591 1.106 -16.498 541 HB3 ASP 72 HB3 ASP 72 -14.953 0.023 -16.226 542 H MET 73 H MET 73 -16.319 2.885 -13.589 543 HA MET 73 HA MET 73 -18.660 1.175 -13.632 544 HB2 MET 73 HB2 MET 73 -18.181 0.238 -11.381 545 HB3 MET 73 HB3 MET 73 -17.061 -0.321 -12.617 546 HG2 MET 73 HG2 MET 73 -15.723 1.825 -11.686 547 HG3 MET 73 HG3 MET 73 -16.585 1.328 -10.233 548 HE1 MET 73 HE1 MET 73 -16.645 -1.943 -11.412 549 HE2 MET 73 HE2 MET 73 -15.459 -2.541 -10.252 550 HE3 MET 73 HE3 MET 73 -16.722 -1.426 -9.727 551 H SER 74 H SER 74 -20.297 1.844 -12.210 552 HA SER 74 HA SER 74 -20.379 4.611 -11.680 553 HB2 SER 74 HB2 SER 74 -22.520 3.866 -11.911 554 HB3 SER 74 HB3 SER 74 -22.156 2.287 -11.216 555 HG SER 74 HG SER 74 -22.920 3.001 -9.407 556 H ILE 75 H ILE 75 -20.303 5.767 -9.760 557 HA ILE 75 HA ILE 75 -18.382 5.110 -7.897 558 HB ILE 75 HB ILE 75 -20.777 6.900 -7.463 559 HG12 ILE 75 HG12 ILE 75 -18.617 8.524 -7.875 560 HG13 ILE 75 HG13 ILE 75 -18.256 7.186 -8.960 561 HG21 ILE 75 HG21 ILE 75 -19.746 6.325 -5.355 562 HG22 ILE 75 HG22 ILE 75 -18.152 6.728 -5.991 563 HG23 ILE 75 HG23 ILE 75 -19.357 7.995 -5.766 564 HD11 ILE 75 HD11 ILE 75 -20.042 7.622 -10.312 565 HD12 ILE 75 HD12 ILE 75 -20.977 8.377 -9.020 566 HD13 ILE 75 HD13 ILE 75 -19.641 9.251 -9.768 567 H ALA 76 H ALA 76 -21.808 4.355 -7.886 568 HA ALA 76 HA ALA 76 -22.034 3.515 -5.209 569 HB1 ALA 76 HB1 ALA 76 -23.617 2.381 -7.500 570 HB2 ALA 76 HB2 ALA 76 -24.109 2.567 -5.816 571 HB3 ALA 76 HB3 ALA 76 -23.911 3.990 -6.838 572 H HIS 77 H HIS 77 -21.365 1.682 -8.182 573 HA HIS 77 HA HIS 77 -21.063 -0.809 -6.814 574 HB2 HIS 77 HB2 HIS 77 -20.313 0.077 -9.603 575 HB3 HIS 77 HB3 HIS 77 -20.102 -1.571 -9.019 576 HD1 HIS 77 HD1 HIS 77 -22.397 0.385 -10.874 577 HD2 HIS 77 HD2 HIS 77 -22.785 -2.579 -7.989 578 HE1 HIS 77 HE1 HIS 77 -24.736 -0.504 -11.133 579 H TYR 78 H TYR 78 -18.883 1.726 -7.893 580 HA TYR 78 HA TYR 78 -16.445 0.414 -7.637 581 HB2 TYR 78 HB2 TYR 78 -16.882 2.744 -8.558 582 HB3 TYR 78 HB3 TYR 78 -16.891 3.303 -6.889 583 HD1 TYR 78 HD1 TYR 78 -14.780 2.697 -5.477 584 HD2 TYR 78 HD2 TYR 78 -14.881 2.692 -9.731 585 HE1 TYR 78 HE1 TYR 78 -12.330 2.906 -5.530 586 HE2 TYR 78 HE2 TYR 78 -12.431 2.899 -9.795 587 HH TYR 78 HH TYR 78 -10.467 2.310 -7.204 588 H ASN 79 H ASN 79 -18.493 1.897 -5.195 589 HA ASN 79 HA ASN 79 -16.619 1.766 -3.070 590 HB2 ASN 79 HB2 ASN 79 -19.535 2.272 -3.330 591 HB3 ASN 79 HB3 ASN 79 -18.957 1.753 -1.749 592 HD21 ASN 79 HD21 ASN 79 -19.631 4.370 -3.570 593 HD22 ASN 79 HD22 ASN 79 -18.607 5.537 -2.811 594 H ALA 80 H ALA 80 -19.001 -0.467 -4.354 595 HA ALA 80 HA ALA 80 -18.866 -2.326 -2.196 596 HB1 ALA 80 HB1 ALA 80 -19.928 -3.882 -3.910 597 HB2 ALA 80 HB2 ALA 80 -20.822 -2.421 -3.488 598 HB3 ALA 80 HB3 ALA 80 -19.921 -2.497 -5.002 599 H VAL 81 H VAL 81 -17.498 -2.346 -5.489 600 HA VAL 81 HA VAL 81 -16.055 -4.734 -5.236 601 HB VAL 81 HB VAL 81 -16.486 -3.614 -7.396 602 HG11 VAL 81 HG11 VAL 81 -15.170 -1.723 -8.108 603 HG12 VAL 81 HG12 VAL 81 -16.018 -1.310 -6.617 604 HG13 VAL 81 HG13 VAL 81 -14.300 -1.706 -6.574 605 HG21 VAL 81 HG21 VAL 81 -14.877 -5.262 -7.599 606 HG22 VAL 81 HG22 VAL 81 -14.039 -3.850 -8.244 607 HG23 VAL 81 HG23 VAL 81 -13.712 -4.394 -6.599 608 H HIS 82 H HIS 82 -15.220 -1.413 -4.414 609 HA HIS 82 HA HIS 82 -12.476 -1.912 -3.870 610 HB2 HIS 82 HB2 HIS 82 -13.430 0.343 -4.344 611 HB3 HIS 82 HB3 HIS 82 -14.222 0.300 -2.771 612 HD1 HIS 82 HD1 HIS 82 -12.735 0.625 -0.685 613 HD2 HIS 82 HD2 HIS 82 -10.674 0.833 -4.286 614 HE1 HIS 82 HE1 HIS 82 -10.478 1.577 -0.114 615 H SER 83 H SER 83 -15.412 -2.045 -1.953 616 HA SER 83 HA SER 83 -14.262 -2.168 0.599 617 HB2 SER 83 HB2 SER 83 -16.636 -1.810 0.362 618 HB3 SER 83 HB3 SER 83 -16.835 -3.360 -0.456 619 HG SER 83 HG SER 83 -16.561 -4.407 1.420 620 H ALA 84 H ALA 84 -14.979 -4.707 -1.754 621 HA ALA 84 HA ALA 84 -14.209 -6.865 -0.062 622 HB1 ALA 84 HB1 ALA 84 -14.749 -6.590 -2.993 623 HB2 ALA 84 HB2 ALA 84 -14.069 -8.082 -2.341 624 HB3 ALA 84 HB3 ALA 84 -15.636 -7.505 -1.773 625 H ALA 85 H ALA 85 -12.565 -5.040 -2.619 626 HA ALA 85 HA ALA 85 -10.217 -6.520 -2.776 627 HB1 ALA 85 HB1 ALA 85 -10.515 -3.535 -3.090 628 HB2 ALA 85 HB2 ALA 85 -9.189 -4.523 -3.704 629 HB3 ALA 85 HB3 ALA 85 -10.817 -4.735 -4.347 630 H LYS 86 H LYS 86 -11.200 -4.065 -0.462 631 HA LYS 86 HA LYS 86 -8.691 -3.651 0.754 632 HB2 LYS 86 HB2 LYS 86 -10.591 -2.133 1.074 633 HB3 LYS 86 HB3 LYS 86 -11.463 -3.393 1.937 634 HG2 LYS 86 HG2 LYS 86 -10.077 -3.255 3.796 635 HG3 LYS 86 HG3 LYS 86 -8.790 -2.449 2.895 636 HD2 LYS 86 HD2 LYS 86 -11.299 -0.962 2.891 637 HD3 LYS 86 HD3 LYS 86 -10.647 -1.217 4.511 638 HE2 LYS 86 HE2 LYS 86 -8.430 -0.393 3.581 639 HE3 LYS 86 HE3 LYS 86 -9.337 0.131 2.162 640 HZ1 LYS 86 HZ1 LYS 86 -9.676 2.002 3.289 641 HZ2 LYS 86 HZ2 LYS 86 -9.159 1.334 4.754 642 HZ3 LYS 86 HZ3 LYS 86 -10.762 1.132 4.252 643 H THR 87 H THR 87 -11.223 -6.032 1.278 644 HA THR 87 HA THR 87 -10.103 -7.105 3.676 645 HB THR 87 HB THR 87 -11.927 -8.636 1.837 646 HG1 THR 87 HG1 THR 87 -13.653 -7.497 2.675 647 HG21 THR 87 HG21 THR 87 -12.829 -9.437 4.019 648 HG22 THR 87 HG22 THR 87 -11.555 -8.527 4.830 649 HG23 THR 87 HG23 THR 87 -11.139 -9.859 3.753 650 H MET 88 H MET 88 -9.860 -7.882 0.248 651 HA MET 88 HA MET 88 -8.354 -10.289 0.685 652 HB2 MET 88 HB2 MET 88 -8.981 -8.660 -1.772 653 HB3 MET 88 HB3 MET 88 -7.952 -10.086 -1.824 654 HG2 MET 88 HG2 MET 88 -9.791 -11.442 -0.959 655 HG3 MET 88 HG3 MET 88 -10.820 -10.012 -0.917 656 HE1 MET 88 HE1 MET 88 -11.000 -8.659 -4.077 657 HE2 MET 88 HE2 MET 88 -12.425 -9.690 -3.945 658 HE3 MET 88 HE3 MET 88 -11.775 -8.896 -2.510 659 H GLY 89 H GLY 89 -7.642 -6.933 0.449 660 HA2 GLY 89 HA2 GLY 89 -5.647 -5.829 0.802 661 HA3 GLY 89 HA3 GLY 89 -4.882 -7.390 1.056 662 H ILE 90 H ILE 90 -6.668 -6.666 -1.853 663 HA ILE 90 HA ILE 90 -4.166 -6.884 -3.369 664 HB ILE 90 HB ILE 90 -6.988 -7.076 -4.422 665 HG12 ILE 90 HG12 ILE 90 -5.084 -9.339 -3.794 666 HG13 ILE 90 HG13 ILE 90 -6.407 -8.850 -2.741 667 HG21 ILE 90 HG21 ILE 90 -4.285 -7.637 -5.609 668 HG22 ILE 90 HG22 ILE 90 -5.778 -8.269 -6.300 669 HG23 ILE 90 HG23 ILE 90 -5.527 -6.528 -6.190 670 HD11 ILE 90 HD11 ILE 90 -6.534 -10.753 -4.698 671 HD12 ILE 90 HD12 ILE 90 -7.915 -9.937 -3.964 672 HD13 ILE 90 HD13 ILE 90 -7.245 -9.343 -5.483 673 H ASP 91 H ASP 91 -3.586 -5.395 -4.936 674 HA ASP 91 HA ASP 91 -5.055 -2.841 -4.846 675 HB2 ASP 91 HB2 ASP 91 -2.180 -3.482 -4.671 676 HB3 ASP 91 HB3 ASP 91 -2.581 -2.129 -5.727 677 H THR 92 H THR 92 -3.251 -5.084 -6.886 678 HA THR 92 HA THR 92 -4.580 -3.898 -9.231 679 HB THR 92 HB THR 92 -2.342 -3.175 -9.476 680 HG1 THR 92 HG1 THR 92 -2.941 -3.992 -11.424 681 HG21 THR 92 HG21 THR 92 -1.733 -5.626 -8.072 682 HG22 THR 92 HG22 THR 92 -0.747 -4.178 -8.279 683 HG23 THR 92 HG23 THR 92 -0.719 -5.448 -9.503 684 H TRP 93 H TRP 93 -6.170 -5.505 -9.202 685 HA TRP 93 HA TRP 93 -5.272 -8.275 -9.541 686 HB2 TRP 93 HB2 TRP 93 -7.620 -8.887 -9.152 687 HB3 TRP 93 HB3 TRP 93 -6.993 -7.891 -7.841 688 HD1 TRP 93 HD1 TRP 93 -9.609 -7.919 -10.586 689 HE1 TRP 93 HE1 TRP 93 -11.140 -5.869 -10.312 690 HE3 TRP 93 HE3 TRP 93 -6.973 -5.412 -6.994 691 HZ2 TRP 93 HZ2 TRP 93 -11.220 -3.501 -8.778 692 HZ3 TRP 93 HZ3 TRP 93 -7.845 -3.260 -6.178 693 HH2 TRP 93 HH2 TRP 93 -9.924 -2.326 -7.053 Start of MODEL 16 1 H1 GLY 1 H GLY 1 3.342 2.055 -11.402 2 HA2 GLY 1 HA2 GLY 1 4.384 2.645 -8.715 3 HA3 GLY 1 HA3 GLY 1 3.201 3.727 -9.435 4 H ALA 2 H ALA 2 3.197 1.865 -7.037 5 HA ALA 2 HA ALA 2 1.766 0.448 -5.967 6 HB1 ALA 2 HB1 ALA 2 0.300 2.419 -6.492 7 HB2 ALA 2 HB2 ALA 2 -0.307 1.508 -7.876 8 HB3 ALA 2 HB3 ALA 2 -0.551 0.894 -6.240 9 H MET 3 H MET 3 2.820 -1.443 -6.784 10 HA MET 3 HA MET 3 1.023 -3.127 -8.296 11 HB2 MET 3 HB2 MET 3 2.537 -1.899 -9.961 12 HB3 MET 3 HB3 MET 3 3.849 -2.868 -9.304 13 HG2 MET 3 HG2 MET 3 1.913 -4.738 -9.847 14 HG3 MET 3 HG3 MET 3 1.745 -3.589 -11.172 15 HE1 MET 3 HE1 MET 3 3.280 -5.735 -13.288 16 HE2 MET 3 HE2 MET 3 3.458 -6.914 -11.989 17 HE3 MET 3 HE3 MET 3 2.003 -5.921 -12.086 18 H ALA 4 H ALA 4 0.926 -4.292 -6.348 19 HA ALA 4 HA ALA 4 2.845 -6.368 -6.103 20 HB1 ALA 4 HB1 ALA 4 3.027 -5.399 -3.495 21 HB2 ALA 4 HB2 ALA 4 4.305 -5.435 -4.711 22 HB3 ALA 4 HB3 ALA 4 3.301 -3.996 -4.529 23 H ASN 5 H ASN 5 1.257 -7.863 -6.048 24 HA ASN 5 HA ASN 5 -1.019 -7.524 -4.269 25 HB2 ASN 5 HB2 ASN 5 -0.622 -10.047 -5.797 26 HB3 ASN 5 HB3 ASN 5 -2.092 -9.118 -5.522 27 HD21 ASN 5 HD21 ASN 5 -2.680 -7.549 -6.948 28 HD22 ASN 5 HD22 ASN 5 -1.858 -7.260 -8.440 29 HA PRO 6 HA PRO 6 0.424 -10.045 -0.979 30 HB2 PRO 6 HB2 PRO 6 -1.849 -11.322 -0.222 31 HB3 PRO 6 HB3 PRO 6 -1.564 -9.605 0.085 32 HG2 PRO 6 HG2 PRO 6 -3.165 -10.900 -2.087 33 HG3 PRO 6 HG3 PRO 6 -3.559 -9.478 -1.103 34 HD2 PRO 6 HD2 PRO 6 -2.607 -9.282 -3.630 35 HD3 PRO 6 HD3 PRO 6 -2.248 -8.076 -2.378 36 H LYS 7 H LYS 7 1.440 -11.951 -0.777 37 HA LYS 7 HA LYS 7 1.564 -13.827 -2.815 38 HB2 LYS 7 HB2 LYS 7 2.217 -14.116 0.120 39 HB3 LYS 7 HB3 LYS 7 2.628 -15.320 -1.094 40 HG2 LYS 7 HG2 LYS 7 3.875 -13.459 -2.294 41 HG3 LYS 7 HG3 LYS 7 3.686 -12.528 -0.806 42 HD2 LYS 7 HD2 LYS 7 4.936 -15.268 -0.929 43 HD3 LYS 7 HD3 LYS 7 5.855 -13.763 -0.998 44 HE2 LYS 7 HE2 LYS 7 5.960 -14.010 1.235 45 HE3 LYS 7 HE3 LYS 7 4.336 -13.326 1.197 46 HZ1 LYS 7 HZ1 LYS 7 4.997 -15.691 2.312 47 HZ2 LYS 7 HZ2 LYS 7 4.408 -16.177 0.802 48 HZ3 LYS 7 HZ3 LYS 7 3.435 -15.252 1.831 49 H THR 8 H THR 8 -0.508 -13.722 0.022 50 HA THR 8 HA THR 8 -2.244 -15.715 -1.185 51 HB THR 8 HB THR 8 -2.385 -16.874 1.137 52 HG1 THR 8 HG1 THR 8 -0.180 -16.860 2.087 53 HG21 THR 8 HG21 THR 8 -1.151 -17.521 -1.202 54 HG22 THR 8 HG22 THR 8 -1.265 -18.589 0.196 55 HG23 THR 8 HG23 THR 8 0.190 -17.627 -0.063 56 H ILE 9 H ILE 9 -4.370 -15.530 -0.562 57 HA ILE 9 HA ILE 9 -4.969 -13.312 1.284 58 HB ILE 9 HB ILE 9 -7.169 -13.180 0.037 59 HG12 ILE 9 HG12 ILE 9 -5.983 -14.328 -2.382 60 HG13 ILE 9 HG13 ILE 9 -6.296 -15.523 -1.129 61 HG21 ILE 9 HG21 ILE 9 -5.001 -11.769 -0.284 62 HG22 ILE 9 HG22 ILE 9 -4.920 -12.599 -1.837 63 HG23 ILE 9 HG23 ILE 9 -6.329 -11.618 -1.435 64 HD11 ILE 9 HD11 ILE 9 -8.367 -13.572 -2.088 65 HD12 ILE 9 HD12 ILE 9 -8.137 -15.174 -2.791 66 HD13 ILE 9 HD13 ILE 9 -8.603 -15.013 -1.098 67 H LYS 10 H LYS 10 -6.028 -13.796 3.086 68 HA LYS 10 HA LYS 10 -6.644 -16.351 3.926 69 HB2 LYS 10 HB2 LYS 10 -7.278 -13.624 4.831 70 HB3 LYS 10 HB3 LYS 10 -8.420 -14.851 5.364 71 HG2 LYS 10 HG2 LYS 10 -5.555 -15.489 5.689 72 HG3 LYS 10 HG3 LYS 10 -6.209 -14.214 6.719 73 HD2 LYS 10 HD2 LYS 10 -8.031 -16.428 6.640 74 HD3 LYS 10 HD3 LYS 10 -6.417 -16.998 7.073 75 HE2 LYS 10 HE2 LYS 10 -6.390 -15.044 8.735 76 HE3 LYS 10 HE3 LYS 10 -8.130 -14.959 8.462 77 HZ1 LYS 10 HZ1 LYS 10 -8.491 -16.868 9.579 78 HZ2 LYS 10 HZ2 LYS 10 -7.039 -16.461 10.344 79 HZ3 LYS 10 HZ3 LYS 10 -7.043 -17.587 9.081 80 H ALA 11 H ALA 11 -8.264 -17.740 3.595 81 HA ALA 11 HA ALA 11 -10.104 -17.491 1.554 82 HB1 ALA 11 HB1 ALA 11 -10.096 -19.661 2.085 83 HB2 ALA 11 HB2 ALA 11 -9.658 -19.340 3.764 84 HB3 ALA 11 HB3 ALA 11 -11.345 -19.244 3.259 85 H ALA 12 H ALA 12 -10.491 -16.719 4.981 86 HA ALA 12 HA ALA 12 -13.217 -16.269 5.088 87 HB1 ALA 12 HB1 ALA 12 -12.810 -15.495 7.151 88 HB2 ALA 12 HB2 ALA 12 -11.143 -15.975 6.832 89 HB3 ALA 12 HB3 ALA 12 -11.642 -14.303 6.579 90 H ALA 13 H ALA 13 -10.667 -14.205 3.830 91 HA ALA 13 HA ALA 13 -12.165 -11.833 3.578 92 HB1 ALA 13 HB1 ALA 13 -10.400 -11.006 2.269 93 HB2 ALA 13 HB2 ALA 13 -9.643 -12.130 3.399 94 HB3 ALA 13 HB3 ALA 13 -9.932 -12.619 1.729 95 H TYR 14 H TYR 14 -11.794 -14.638 1.488 96 HA TYR 14 HA TYR 14 -12.951 -13.582 -0.839 97 HB2 TYR 14 HB2 TYR 14 -11.715 -15.843 -0.426 98 HB3 TYR 14 HB3 TYR 14 -13.323 -16.455 -0.054 99 HD1 TYR 14 HD1 TYR 14 -14.739 -17.151 -1.775 100 HD2 TYR 14 HD2 TYR 14 -11.391 -14.695 -2.706 101 HE1 TYR 14 HE1 TYR 14 -15.173 -17.478 -4.174 102 HE2 TYR 14 HE2 TYR 14 -11.816 -15.015 -5.107 103 HH TYR 14 HH TYR 14 -14.660 -16.183 -6.331 104 H ASN 15 H ASN 15 -14.425 -15.445 1.812 105 HA ASN 15 HA ASN 15 -17.042 -15.449 0.823 106 HB2 ASN 15 HB2 ASN 15 -15.894 -15.685 3.595 107 HB3 ASN 15 HB3 ASN 15 -17.635 -15.695 3.329 108 HD21 ASN 15 HD21 ASN 15 -14.639 -17.281 2.343 109 HD22 ASN 15 HD22 ASN 15 -15.342 -18.837 2.079 110 H GLN 16 H GLN 16 -15.279 -13.066 2.707 111 HA GLN 16 HA GLN 16 -17.560 -11.435 3.268 112 HB2 GLN 16 HB2 GLN 16 -15.168 -11.568 4.410 113 HB3 GLN 16 HB3 GLN 16 -14.805 -10.295 3.252 114 HG2 GLN 16 HG2 GLN 16 -16.960 -10.253 5.351 115 HG3 GLN 16 HG3 GLN 16 -15.456 -9.334 5.360 116 HE21 GLN 16 HE21 GLN 16 -18.691 -9.269 4.597 117 HE22 GLN 16 HE22 GLN 16 -18.704 -7.868 3.585 118 H ALA 17 H ALA 17 -15.121 -11.547 0.750 119 HA ALA 17 HA ALA 17 -15.661 -9.033 -0.417 120 HB1 ALA 17 HB1 ALA 17 -13.645 -9.939 -1.088 121 HB2 ALA 17 HB2 ALA 17 -14.336 -11.537 -1.371 122 HB3 ALA 17 HB3 ALA 17 -14.664 -10.222 -2.499 123 H ARG 18 H ARG 18 -16.798 -12.302 -1.261 124 HA ARG 18 HA ARG 18 -18.521 -11.409 -3.338 125 HB2 ARG 18 HB2 ARG 18 -19.527 -13.737 -3.062 126 HB3 ARG 18 HB3 ARG 18 -17.821 -13.655 -3.481 127 HG2 ARG 18 HG2 ARG 18 -17.274 -14.825 -1.685 128 HG3 ARG 18 HG3 ARG 18 -18.115 -13.684 -0.633 129 HD2 ARG 18 HD2 ARG 18 -19.002 -15.948 -0.386 130 HD3 ARG 18 HD3 ARG 18 -20.217 -14.847 -1.033 131 HE ARG 18 HE ARG 18 -18.748 -16.320 -3.030 132 HH11 ARG 18 HH11 ARG 18 -21.532 -16.264 -0.941 133 HH12 ARG 18 HH12 ARG 18 -22.440 -17.382 -1.904 134 HH21 ARG 18 HH21 ARG 18 -19.934 -17.792 -4.307 135 HH22 ARG 18 HH22 ARG 18 -21.530 -18.251 -3.818 136 H SER 19 H SER 19 -18.919 -11.976 0.098 137 HA SER 19 HA SER 19 -21.701 -12.015 0.262 138 HB2 SER 19 HB2 SER 19 -20.602 -12.589 2.244 139 HB3 SER 19 HB3 SER 19 -19.534 -11.187 2.172 140 HG SER 19 HG SER 19 -21.555 -11.301 3.656 141 H THR 20 H THR 20 -19.478 -9.247 0.503 142 HA THR 20 HA THR 20 -21.377 -7.250 0.900 143 HB THR 20 HB THR 20 -18.841 -6.890 -0.700 144 HG1 THR 20 HG1 THR 20 -17.737 -6.888 1.172 145 HG21 THR 20 HG21 THR 20 -18.880 -4.638 0.263 146 HG22 THR 20 HG22 THR 20 -20.378 -5.022 1.111 147 HG23 THR 20 HG23 THR 20 -20.352 -4.962 -0.651 148 H LEU 21 H LEU 21 -20.109 -8.607 -2.117 149 HA LEU 21 HA LEU 21 -21.487 -6.842 -3.846 150 HB2 LEU 21 HB2 LEU 21 -20.659 -9.656 -4.504 151 HB3 LEU 21 HB3 LEU 21 -20.849 -8.296 -5.609 152 HG LEU 21 HG LEU 21 -18.778 -8.154 -3.463 153 HD11 LEU 21 HD11 LEU 21 -17.549 -9.812 -4.267 154 HD12 LEU 21 HD12 LEU 21 -17.627 -9.121 -5.887 155 HD13 LEU 21 HD13 LEU 21 -18.872 -10.249 -5.349 156 HD21 LEU 21 HD21 LEU 21 -19.085 -7.052 -6.249 157 HD22 LEU 21 HD22 LEU 21 -17.615 -6.891 -5.288 158 HD23 LEU 21 HD23 LEU 21 -19.120 -6.164 -4.725 159 H ALA 22 H ALA 22 -22.379 -9.803 -2.238 160 HA ALA 22 HA ALA 22 -24.542 -10.647 -3.739 161 HB1 ALA 22 HB1 ALA 22 -23.416 -11.428 -1.394 162 HB2 ALA 22 HB2 ALA 22 -24.965 -10.791 -0.841 163 HB3 ALA 22 HB3 ALA 22 -24.921 -12.075 -2.050 164 H ASP 23 H ASP 23 -24.249 -7.878 -1.670 165 HA ASP 23 HA ASP 23 -26.928 -7.354 -1.098 166 HB2 ASP 23 HB2 ASP 23 -24.467 -5.677 -1.324 167 HB3 ASP 23 HB3 ASP 23 -26.028 -4.867 -1.210 168 H ALA 24 H ALA 24 -25.040 -6.745 -3.990 169 HA ALA 24 HA ALA 24 -27.404 -5.535 -5.260 170 HB1 ALA 24 HB1 ALA 24 -24.565 -5.445 -6.264 171 HB2 ALA 24 HB2 ALA 24 -25.942 -4.502 -6.836 172 HB3 ALA 24 HB3 ALA 24 -25.281 -4.211 -5.227 173 H GLY 25 H GLY 25 -25.270 -8.252 -5.293 174 HA2 GLY 25 HA2 GLY 25 -26.427 -10.221 -6.391 175 HA3 GLY 25 HA3 GLY 25 -26.489 -9.191 -7.813 176 H SER 26 H SER 26 -25.221 -11.800 -7.475 177 HA SER 26 HA SER 26 -22.449 -11.021 -8.104 178 HB2 SER 26 HB2 SER 26 -22.270 -13.669 -7.362 179 HB3 SER 26 HB3 SER 26 -21.877 -12.293 -6.331 180 HG SER 26 HG SER 26 -23.354 -13.701 -5.316 181 H ARG 27 H ARG 27 -21.991 -11.333 -10.170 182 HA ARG 27 HA ARG 27 -23.654 -12.953 -11.858 183 HB2 ARG 27 HB2 ARG 27 -21.900 -10.803 -12.230 184 HB3 ARG 27 HB3 ARG 27 -21.152 -12.152 -13.075 185 HG2 ARG 27 HG2 ARG 27 -22.562 -10.893 -14.579 186 HG3 ARG 27 HG3 ARG 27 -23.229 -12.507 -14.327 187 HD2 ARG 27 HD2 ARG 27 -24.273 -10.694 -12.363 188 HD3 ARG 27 HD3 ARG 27 -24.515 -10.033 -13.980 189 HE ARG 27 HE ARG 27 -25.293 -12.697 -14.059 190 HH11 ARG 27 HH11 ARG 27 -26.255 -9.758 -12.460 191 HH12 ARG 27 HH12 ARG 27 -27.921 -10.216 -12.336 192 HH21 ARG 27 HH21 ARG 27 -27.484 -13.312 -13.902 193 HH22 ARG 27 HH22 ARG 27 -28.619 -12.238 -13.156 194 H THR 28 H THR 28 -20.151 -13.029 -11.172 195 HA THR 28 HA THR 28 -19.905 -15.701 -12.202 196 HB THR 28 HB THR 28 -17.591 -15.535 -11.787 197 HG1 THR 28 HG1 THR 28 -18.269 -13.483 -9.930 198 HG21 THR 28 HG21 THR 28 -17.013 -13.676 -13.014 199 HG22 THR 28 HG22 THR 28 -18.140 -12.626 -12.156 200 HG23 THR 28 HG23 THR 28 -18.740 -13.765 -13.360 201 H ALA 29 H ALA 29 -19.838 -14.197 -8.993 202 HA ALA 29 HA ALA 29 -19.194 -16.455 -7.487 203 HB1 ALA 29 HB1 ALA 29 -19.343 -15.009 -5.810 204 HB2 ALA 29 HB2 ALA 29 -19.912 -13.803 -6.964 205 HB3 ALA 29 HB3 ALA 29 -21.072 -14.795 -6.080 206 H ALA 30 H ALA 30 -22.195 -15.490 -8.967 207 HA ALA 30 HA ALA 30 -24.015 -17.010 -7.499 208 HB1 ALA 30 HB1 ALA 30 -23.957 -15.848 -10.222 209 HB2 ALA 30 HB2 ALA 30 -25.163 -17.095 -9.902 210 HB3 ALA 30 HB3 ALA 30 -25.125 -15.631 -8.919 211 H LYS 31 H LYS 31 -21.839 -17.926 -10.102 212 HA LYS 31 HA LYS 31 -22.901 -20.650 -10.111 213 HB2 LYS 31 HB2 LYS 31 -22.517 -19.669 -12.289 214 HB3 LYS 31 HB3 LYS 31 -20.855 -19.282 -11.864 215 HG2 LYS 31 HG2 LYS 31 -21.429 -22.104 -11.546 216 HG3 LYS 31 HG3 LYS 31 -21.734 -21.537 -13.190 217 HD2 LYS 31 HD2 LYS 31 -19.243 -20.538 -12.010 218 HD3 LYS 31 HD3 LYS 31 -19.297 -22.290 -12.215 219 HE2 LYS 31 HE2 LYS 31 -20.342 -20.957 -14.545 220 HE3 LYS 31 HE3 LYS 31 -18.728 -20.360 -14.161 221 HZ1 LYS 31 HZ1 LYS 31 -18.492 -22.219 -15.591 222 HZ2 LYS 31 HZ2 LYS 31 -19.532 -23.171 -14.658 223 HZ3 LYS 31 HZ3 LYS 31 -18.016 -22.730 -14.050 224 H SER 32 H SER 32 -20.188 -18.800 -9.006 225 HA SER 32 HA SER 32 -18.610 -21.181 -8.432 226 HB2 SER 32 HB2 SER 32 -17.668 -18.931 -9.294 227 HB3 SER 32 HB3 SER 32 -17.867 -18.376 -7.632 228 HG SER 32 HG SER 32 -15.854 -19.722 -8.606 229 H HIS 33 H HIS 33 -17.465 -21.038 -6.169 230 HA HIS 33 HA HIS 33 -19.417 -20.317 -4.100 231 HB2 HIS 33 HB2 HIS 33 -18.112 -23.007 -4.491 232 HB3 HIS 33 HB3 HIS 33 -18.777 -22.504 -2.939 233 HD1 HIS 33 HD1 HIS 33 -19.716 -24.642 -5.421 234 HD2 HIS 33 HD2 HIS 33 -21.642 -21.356 -3.761 235 HE1 HIS 33 HE1 HIS 33 -22.160 -24.976 -5.911 236 HA PRO 34 HA PRO 34 -15.992 -18.710 -1.879 237 HB2 PRO 34 HB2 PRO 34 -16.750 -19.162 0.688 238 HB3 PRO 34 HB3 PRO 34 -17.504 -17.933 -0.334 239 HG2 PRO 34 HG2 PRO 34 -18.454 -20.695 0.320 240 HG3 PRO 34 HG3 PRO 34 -19.377 -19.183 0.245 241 HD2 PRO 34 HD2 PRO 34 -19.390 -20.998 -1.764 242 HD3 PRO 34 HD3 PRO 34 -19.548 -19.253 -2.052 243 H ILE 35 H ILE 35 -14.753 -19.399 0.366 244 HA ILE 35 HA ILE 35 -13.984 -22.224 0.060 245 HB ILE 35 HB ILE 35 -11.991 -20.045 0.648 246 HG12 ILE 35 HG12 ILE 35 -11.496 -21.004 -1.927 247 HG13 ILE 35 HG13 ILE 35 -13.236 -20.747 -1.881 248 HG21 ILE 35 HG21 ILE 35 -11.771 -22.942 -0.138 249 HG22 ILE 35 HG22 ILE 35 -10.407 -21.825 -0.150 250 HG23 ILE 35 HG23 ILE 35 -11.241 -22.182 1.363 251 HD11 ILE 35 HD11 ILE 35 -11.022 -18.776 -1.614 252 HD12 ILE 35 HD12 ILE 35 -12.478 -18.711 -2.607 253 HD13 ILE 35 HD13 ILE 35 -12.583 -18.441 -0.868 254 H HIS 36 H HIS 36 -13.888 -23.346 1.902 255 HA HIS 36 HA HIS 36 -13.580 -21.907 4.439 256 HB2 HIS 36 HB2 HIS 36 -15.980 -23.215 3.511 257 HB3 HIS 36 HB3 HIS 36 -15.378 -24.005 4.965 258 HD1 HIS 36 HD1 HIS 36 -14.814 -22.180 6.985 259 HD2 HIS 36 HD2 HIS 36 -17.529 -21.068 4.043 260 HE1 HIS 36 HE1 HIS 36 -16.130 -20.276 7.969 261 H GLY 37 H GLY 37 -13.012 -23.345 6.254 262 HA2 GLY 37 HA2 GLY 37 -11.562 -24.884 7.153 263 HA3 GLY 37 HA3 GLY 37 -12.350 -26.022 6.070 264 H LYS 38 H LYS 38 -10.375 -23.221 5.199 265 HA LYS 38 HA LYS 38 -8.272 -25.033 4.247 266 HB2 LYS 38 HB2 LYS 38 -9.786 -22.996 2.644 267 HB3 LYS 38 HB3 LYS 38 -8.128 -23.403 2.222 268 HG2 LYS 38 HG2 LYS 38 -9.236 -25.871 2.458 269 HG3 LYS 38 HG3 LYS 38 -10.599 -24.928 1.850 270 HD2 LYS 38 HD2 LYS 38 -9.614 -24.550 -0.161 271 HD3 LYS 38 HD3 LYS 38 -7.988 -24.495 0.525 272 HE2 LYS 38 HE2 LYS 38 -9.613 -27.012 0.179 273 HE3 LYS 38 HE3 LYS 38 -8.398 -26.447 -0.966 274 HZ1 LYS 38 HZ1 LYS 38 -6.726 -27.100 0.357 275 HZ2 LYS 38 HZ2 LYS 38 -7.886 -28.115 1.053 276 HZ3 LYS 38 HZ3 LYS 38 -7.509 -26.637 1.784 277 H THR 39 H THR 39 -6.211 -24.249 4.398 278 HA THR 39 HA THR 39 -5.582 -22.343 6.289 279 HB THR 39 HB THR 39 -3.779 -22.913 3.943 280 HG1 THR 39 HG1 THR 39 -4.295 -24.939 4.561 281 HG21 THR 39 HG21 THR 39 -3.394 -21.331 6.117 282 HG22 THR 39 HG22 THR 39 -2.099 -22.142 5.237 283 HG23 THR 39 HG23 THR 39 -2.760 -22.868 6.701 284 H ASP 40 H ASP 40 -5.246 -21.914 2.760 285 HA ASP 40 HA ASP 40 -6.453 -19.396 2.650 286 HB2 ASP 40 HB2 ASP 40 -4.335 -18.031 2.258 287 HB3 ASP 40 HB3 ASP 40 -4.696 -18.457 3.928 288 H VAL 41 H VAL 41 -6.286 -18.400 0.550 289 HA VAL 41 HA VAL 41 -5.300 -20.275 -1.500 290 HB VAL 41 HB VAL 41 -6.996 -19.072 -2.996 291 HG11 VAL 41 HG11 VAL 41 -7.315 -21.198 -1.076 292 HG12 VAL 41 HG12 VAL 41 -8.852 -20.388 -1.382 293 HG13 VAL 41 HG13 VAL 41 -7.931 -21.071 -2.723 294 HG21 VAL 41 HG21 VAL 41 -7.289 -17.266 -1.157 295 HG22 VAL 41 HG22 VAL 41 -8.700 -17.803 -2.069 296 HG23 VAL 41 HG23 VAL 41 -8.413 -18.421 -0.442 297 HA PRO 42 HA PRO 42 -2.613 -17.212 -3.133 298 HB2 PRO 42 HB2 PRO 42 -2.737 -17.747 -5.792 299 HB3 PRO 42 HB3 PRO 42 -1.907 -18.798 -4.638 300 HG2 PRO 42 HG2 PRO 42 -4.640 -19.076 -5.827 301 HG3 PRO 42 HG3 PRO 42 -3.400 -20.318 -5.569 302 HD2 PRO 42 HD2 PRO 42 -5.514 -20.002 -3.907 303 HD3 PRO 42 HD3 PRO 42 -3.927 -20.559 -3.338 304 H VAL 43 H VAL 43 -2.519 -15.238 -4.277 305 HA VAL 43 HA VAL 43 -4.762 -13.636 -4.231 306 HB VAL 43 HB VAL 43 -2.579 -12.641 -4.332 307 HG11 VAL 43 HG11 VAL 43 -2.143 -14.509 -6.405 308 HG12 VAL 43 HG12 VAL 43 -1.907 -12.901 -7.091 309 HG13 VAL 43 HG13 VAL 43 -0.983 -13.400 -5.674 310 HG21 VAL 43 HG21 VAL 43 -3.246 -10.808 -5.450 311 HG22 VAL 43 HG22 VAL 43 -3.506 -11.694 -6.953 312 HG23 VAL 43 HG23 VAL 43 -4.740 -11.713 -5.693 313 H SER 44 H SER 44 -3.612 -15.736 -6.778 314 HA SER 44 HA SER 44 -5.030 -14.744 -8.953 315 HB2 SER 44 HB2 SER 44 -3.780 -17.305 -8.223 316 HB3 SER 44 HB3 SER 44 -5.102 -17.451 -9.382 317 HG SER 44 HG SER 44 -3.483 -16.994 -10.696 318 H TYR 45 H TYR 45 -6.096 -16.731 -6.272 319 HA TYR 45 HA TYR 45 -8.627 -17.410 -7.412 320 HB2 TYR 45 HB2 TYR 45 -7.268 -18.521 -5.442 321 HB3 TYR 45 HB3 TYR 45 -8.180 -17.383 -4.455 322 HD1 TYR 45 HD1 TYR 45 -10.749 -17.409 -4.724 323 HD2 TYR 45 HD2 TYR 45 -8.216 -20.561 -6.046 324 HE1 TYR 45 HE1 TYR 45 -12.669 -18.946 -4.719 325 HE2 TYR 45 HE2 TYR 45 -10.130 -22.107 -6.046 326 HH TYR 45 HH TYR 45 -12.628 -21.940 -4.538 327 H GLY 46 H GLY 46 -7.583 -15.069 -4.941 328 HA2 GLY 46 HA2 GLY 46 -10.140 -13.967 -4.475 329 HA3 GLY 46 HA3 GLY 46 -8.607 -13.193 -4.102 330 H THR 47 H THR 47 -7.565 -13.066 -6.724 331 HA THR 47 HA THR 47 -8.604 -10.636 -7.607 332 HB THR 47 HB THR 47 -7.348 -11.111 -9.748 333 HG1 THR 47 HG1 THR 47 -7.285 -13.278 -9.951 334 HG21 THR 47 HG21 THR 47 -5.884 -9.994 -8.456 335 HG22 THR 47 HG22 THR 47 -5.129 -11.570 -8.219 336 HG23 THR 47 HG23 THR 47 -6.272 -10.952 -7.027 337 H SER 48 H SER 48 -9.389 -13.930 -8.541 338 HA SER 48 HA SER 48 -10.847 -13.410 -10.866 339 HB2 SER 48 HB2 SER 48 -10.916 -15.614 -8.829 340 HB3 SER 48 HB3 SER 48 -12.112 -15.571 -10.124 341 HG SER 48 HG SER 48 -10.512 -15.788 -11.615 342 H LEU 49 H LEU 49 -11.837 -13.395 -7.475 343 HA LEU 49 HA LEU 49 -14.599 -12.911 -8.050 344 HB2 LEU 49 HB2 LEU 49 -13.922 -14.016 -5.998 345 HB3 LEU 49 HB3 LEU 49 -13.012 -12.589 -5.506 346 HG LEU 49 HG LEU 49 -14.948 -11.383 -5.002 347 HD11 LEU 49 HD11 LEU 49 -16.227 -13.233 -6.921 348 HD12 LEU 49 HD12 LEU 49 -16.455 -11.500 -6.686 349 HD13 LEU 49 HD13 LEU 49 -17.224 -12.647 -5.589 350 HD21 LEU 49 HD21 LEU 49 -16.020 -14.046 -4.238 351 HD22 LEU 49 HD22 LEU 49 -15.817 -12.585 -3.271 352 HD23 LEU 49 HD23 LEU 49 -14.420 -13.596 -3.647 353 H LEU 50 H LEU 50 -11.819 -10.918 -7.196 354 HA LEU 50 HA LEU 50 -13.203 -8.502 -6.786 355 HB2 LEU 50 HB2 LEU 50 -10.608 -9.331 -6.572 356 HB3 LEU 50 HB3 LEU 50 -10.535 -8.259 -7.969 357 HG LEU 50 HG LEU 50 -11.444 -7.543 -5.183 358 HD11 LEU 50 HD11 LEU 50 -9.230 -7.310 -4.925 359 HD12 LEU 50 HD12 LEU 50 -9.445 -5.838 -5.872 360 HD13 LEU 50 HD13 LEU 50 -8.922 -7.326 -6.662 361 HD21 LEU 50 HD21 LEU 50 -12.713 -6.018 -6.221 362 HD22 LEU 50 HD22 LEU 50 -11.915 -6.268 -7.773 363 HD23 LEU 50 HD23 LEU 50 -11.188 -5.203 -6.569 364 H ALA 51 H ALA 51 -11.536 -9.761 -9.668 365 HA ALA 51 HA ALA 51 -12.273 -7.583 -11.337 366 HB1 ALA 51 HB1 ALA 51 -11.792 -9.726 -13.024 367 HB2 ALA 51 HB2 ALA 51 -10.611 -8.540 -12.468 368 HB3 ALA 51 HB3 ALA 51 -10.802 -10.065 -11.604 369 H ALA 52 H ALA 52 -13.739 -10.676 -10.572 370 HA ALA 52 HA ALA 52 -15.597 -10.854 -12.645 371 HB1 ALA 52 HB1 ALA 52 -16.961 -12.012 -10.651 372 HB2 ALA 52 HB2 ALA 52 -15.609 -12.789 -11.475 373 HB3 ALA 52 HB3 ALA 52 -15.353 -11.984 -9.927 374 H ALA 53 H ALA 53 -15.914 -9.328 -9.448 375 HA ALA 53 HA ALA 53 -18.571 -8.408 -9.896 376 HB1 ALA 53 HB1 ALA 53 -18.326 -8.350 -7.675 377 HB2 ALA 53 HB2 ALA 53 -16.570 -8.212 -7.780 378 HB3 ALA 53 HB3 ALA 53 -17.578 -6.774 -7.936 379 H ARG 54 H ARG 54 -15.385 -6.843 -10.042 380 HA ARG 54 HA ARG 54 -16.203 -4.249 -10.594 381 HB2 ARG 54 HB2 ARG 54 -13.937 -4.417 -10.174 382 HB3 ARG 54 HB3 ARG 54 -13.743 -5.828 -11.205 383 HG2 ARG 54 HG2 ARG 54 -13.487 -4.587 -13.098 384 HG3 ARG 54 HG3 ARG 54 -14.478 -3.257 -12.492 385 HD2 ARG 54 HD2 ARG 54 -12.687 -2.176 -11.734 386 HD3 ARG 54 HD3 ARG 54 -12.119 -3.606 -10.873 387 HE ARG 54 HE ARG 54 -11.548 -3.965 -13.574 388 HH11 ARG 54 HH11 ARG 54 -10.631 -1.854 -10.962 389 HH12 ARG 54 HH12 ARG 54 -9.042 -1.557 -11.586 390 HH21 ARG 54 HH21 ARG 54 -9.459 -3.581 -14.407 391 HH22 ARG 54 HH22 ARG 54 -8.377 -2.539 -13.546 392 H ASP 55 H ASP 55 -15.384 -6.829 -12.911 393 HA ASP 55 HA ASP 55 -15.965 -5.377 -15.237 394 HB2 ASP 55 HB2 ASP 55 -14.907 -7.816 -14.760 395 HB3 ASP 55 HB3 ASP 55 -16.524 -8.285 -15.280 396 H GLU 56 H GLU 56 -17.999 -7.539 -13.292 397 HA GLU 56 HA GLU 56 -20.279 -7.477 -14.905 398 HB2 GLU 56 HB2 GLU 56 -19.985 -9.055 -13.049 399 HB3 GLU 56 HB3 GLU 56 -20.107 -7.732 -11.897 400 HG2 GLU 56 HG2 GLU 56 -22.412 -7.382 -13.209 401 HG3 GLU 56 HG3 GLU 56 -22.212 -9.120 -13.426 402 H PHE 57 H PHE 57 -19.429 -5.438 -12.115 403 HA PHE 57 HA PHE 57 -21.720 -3.830 -12.154 404 HB2 PHE 57 HB2 PHE 57 -18.918 -3.165 -11.227 405 HB3 PHE 57 HB3 PHE 57 -20.347 -2.198 -10.873 406 HD1 PHE 57 HD1 PHE 57 -22.273 -4.460 -10.378 407 HD2 PHE 57 HD2 PHE 57 -18.283 -3.792 -9.057 408 HE1 PHE 57 HE1 PHE 57 -22.708 -5.832 -8.382 409 HE2 PHE 57 HE2 PHE 57 -18.710 -5.164 -7.060 410 HZ PHE 57 HZ PHE 57 -20.925 -6.187 -6.720 411 H ARG 58 H ARG 58 -18.841 -3.777 -14.097 412 HA ARG 58 HA ARG 58 -18.874 -1.158 -15.039 413 HB2 ARG 58 HB2 ARG 58 -17.297 -3.296 -15.492 414 HB3 ARG 58 HB3 ARG 58 -18.207 -3.280 -16.996 415 HG2 ARG 58 HG2 ARG 58 -17.570 -0.775 -17.075 416 HG3 ARG 58 HG3 ARG 58 -16.332 -1.228 -15.902 417 HD2 ARG 58 HD2 ARG 58 -16.554 -2.967 -18.271 418 HD3 ARG 58 HD3 ARG 58 -15.991 -1.325 -18.579 419 HE ARG 58 HE ARG 58 -14.500 -2.207 -16.455 420 HH11 ARG 58 HH11 ARG 58 -15.081 -3.282 -19.714 421 HH12 ARG 58 HH12 ARG 58 -13.519 -4.011 -19.891 422 HH21 ARG 58 HH21 ARG 58 -12.441 -3.162 -16.676 423 HH22 ARG 58 HH22 ARG 58 -12.018 -3.942 -18.162 424 H GLN 59 H GLN 59 -20.761 -3.957 -16.019 425 HA GLN 59 HA GLN 59 -21.906 -2.693 -18.318 426 HB2 GLN 59 HB2 GLN 59 -21.770 -5.085 -18.305 427 HB3 GLN 59 HB3 GLN 59 -22.641 -5.183 -16.780 428 HG2 GLN 59 HG2 GLN 59 -24.201 -3.790 -18.756 429 HG3 GLN 59 HG3 GLN 59 -23.694 -5.370 -19.351 430 HE21 GLN 59 HE21 GLN 59 -25.498 -3.666 -16.908 431 HE22 GLN 59 HE22 GLN 59 -26.401 -5.026 -16.342 432 H ALA 60 H ALA 60 -22.802 -3.069 -14.948 433 HA ALA 60 HA ALA 60 -25.488 -2.312 -15.091 434 HB1 ALA 60 HB1 ALA 60 -23.449 -2.007 -12.901 435 HB2 ALA 60 HB2 ALA 60 -25.147 -1.576 -12.700 436 HB3 ALA 60 HB3 ALA 60 -24.698 -3.241 -13.066 437 H ASP 61 H ASP 61 -22.592 -0.312 -14.575 438 HA ASP 61 HA ASP 61 -24.207 2.105 -14.865 439 HB2 ASP 61 HB2 ASP 61 -22.384 3.306 -13.964 440 HB3 ASP 61 HB3 ASP 61 -22.434 1.803 -13.045 441 H LYS 62 H LYS 62 -23.757 0.359 -17.138 442 HA LYS 62 HA LYS 62 -21.790 1.605 -18.823 443 HB2 LYS 62 HB2 LYS 62 -22.664 -0.828 -18.917 444 HB3 LYS 62 HB3 LYS 62 -24.026 -0.152 -19.800 445 HG2 LYS 62 HG2 LYS 62 -22.450 0.766 -21.462 446 HG3 LYS 62 HG3 LYS 62 -21.125 -0.017 -20.597 447 HD2 LYS 62 HD2 LYS 62 -21.831 -2.147 -21.188 448 HD3 LYS 62 HD3 LYS 62 -23.484 -1.618 -21.508 449 HE2 LYS 62 HE2 LYS 62 -21.335 -0.456 -23.186 450 HE3 LYS 62 HE3 LYS 62 -21.735 -2.153 -23.451 451 HZ1 LYS 62 HZ1 LYS 62 -23.025 -0.064 -24.566 452 HZ2 LYS 62 HZ2 LYS 62 -24.032 -0.427 -23.257 453 HZ3 LYS 62 HZ3 LYS 62 -23.669 -1.619 -24.400 454 H LYS 63 H LYS 63 -25.180 2.003 -18.176 455 HA LYS 63 HA LYS 63 -25.823 3.467 -20.532 456 HB2 LYS 63 HB2 LYS 63 -27.596 2.407 -19.306 457 HB3 LYS 63 HB3 LYS 63 -27.169 3.272 -17.836 458 HG2 LYS 63 HG2 LYS 63 -27.782 5.025 -20.088 459 HG3 LYS 63 HG3 LYS 63 -29.128 3.995 -19.593 460 HD2 LYS 63 HD2 LYS 63 -27.521 5.667 -17.669 461 HD3 LYS 63 HD3 LYS 63 -29.000 6.233 -18.447 462 HE2 LYS 63 HE2 LYS 63 -29.853 3.870 -17.486 463 HE3 LYS 63 HE3 LYS 63 -28.622 4.257 -16.285 464 HZ1 LYS 63 HZ1 LYS 63 -29.751 6.116 -15.593 465 HZ2 LYS 63 HZ2 LYS 63 -31.038 5.082 -15.961 466 HZ3 LYS 63 HZ3 LYS 63 -30.596 6.299 -17.048 467 H LEU 64 H LEU 64 -24.276 4.262 -17.562 468 HA LEU 64 HA LEU 64 -24.726 7.119 -17.867 469 HB2 LEU 64 HB2 LEU 64 -22.812 5.982 -15.890 470 HB3 LEU 64 HB3 LEU 64 -23.877 7.379 -15.747 471 HG LEU 64 HG LEU 64 -24.812 4.512 -15.684 472 HD11 LEU 64 HD11 LEU 64 -23.367 5.033 -13.770 473 HD12 LEU 64 HD12 LEU 64 -25.047 4.796 -13.288 474 HD13 LEU 64 HD13 LEU 64 -24.381 6.426 -13.395 475 HD21 LEU 64 HD21 LEU 64 -26.189 6.929 -16.085 476 HD22 LEU 64 HD22 LEU 64 -26.529 6.430 -14.428 477 HD23 LEU 64 HD23 LEU 64 -26.871 5.334 -15.767 478 HA PRO 65 HA PRO 65 -21.039 8.018 -20.076 479 HB2 PRO 65 HB2 PRO 65 -20.440 10.476 -19.091 480 HB3 PRO 65 HB3 PRO 65 -21.789 10.186 -20.196 481 HG2 PRO 65 HG2 PRO 65 -21.811 10.482 -17.217 482 HG3 PRO 65 HG3 PRO 65 -22.925 11.163 -18.417 483 HD2 PRO 65 HD2 PRO 65 -23.524 8.963 -16.956 484 HD3 PRO 65 HD3 PRO 65 -24.113 9.198 -18.615 485 H ALA 66 H ALA 66 -18.754 8.322 -19.871 486 HA ALA 66 HA ALA 66 -17.550 6.894 -17.803 487 HB1 ALA 66 HB1 ALA 66 -15.456 7.543 -18.734 488 HB2 ALA 66 HB2 ALA 66 -16.587 7.338 -20.072 489 HB3 ALA 66 HB3 ALA 66 -16.171 8.957 -19.509 490 H LYS 67 H LYS 67 -18.197 10.324 -18.134 491 HA LYS 67 HA LYS 67 -16.555 11.188 -15.985 492 HB2 LYS 67 HB2 LYS 67 -17.602 13.304 -16.228 493 HB3 LYS 67 HB3 LYS 67 -17.489 12.627 -17.847 494 HG2 LYS 67 HG2 LYS 67 -19.913 11.761 -17.285 495 HG3 LYS 67 HG3 LYS 67 -19.879 13.116 -16.154 496 HD2 LYS 67 HD2 LYS 67 -19.265 13.327 -19.100 497 HD3 LYS 67 HD3 LYS 67 -20.831 13.695 -18.375 498 HE2 LYS 67 HE2 LYS 67 -18.921 15.109 -16.879 499 HE3 LYS 67 HE3 LYS 67 -18.483 15.336 -18.571 500 HZ1 LYS 67 HZ1 LYS 67 -21.158 15.861 -17.393 501 HZ2 LYS 67 HZ2 LYS 67 -20.739 16.079 -19.017 502 HZ3 LYS 67 HZ3 LYS 67 -20.021 17.038 -17.823 503 H ASP 68 H ASP 68 -19.779 9.894 -16.195 504 HA ASP 68 HA ASP 68 -20.353 10.572 -13.415 505 HB2 ASP 68 HB2 ASP 68 -22.067 10.754 -15.306 506 HB3 ASP 68 HB3 ASP 68 -22.126 8.994 -15.274 507 H LYS 69 H LYS 69 -18.213 8.720 -14.025 508 HA LYS 69 HA LYS 69 -18.982 6.603 -12.240 509 HB2 LYS 69 HB2 LYS 69 -18.486 4.749 -13.733 510 HB3 LYS 69 HB3 LYS 69 -19.795 5.720 -14.394 511 HG2 LYS 69 HG2 LYS 69 -18.288 6.762 -15.962 512 HG3 LYS 69 HG3 LYS 69 -16.915 5.910 -15.251 513 HD2 LYS 69 HD2 LYS 69 -17.408 4.614 -17.110 514 HD3 LYS 69 HD3 LYS 69 -18.264 3.771 -15.818 515 HE2 LYS 69 HE2 LYS 69 -20.337 4.898 -16.457 516 HE3 LYS 69 HE3 LYS 69 -19.482 5.754 -17.739 517 HZ1 LYS 69 HZ1 LYS 69 -18.919 3.508 -18.656 518 HZ2 LYS 69 HZ2 LYS 69 -20.557 3.923 -18.734 519 HZ3 LYS 69 HZ3 LYS 69 -20.014 2.845 -17.549 520 H LYS 70 H LYS 70 -17.256 5.794 -11.150 521 HA LYS 70 HA LYS 70 -14.749 7.142 -11.441 522 HB2 LYS 70 HB2 LYS 70 -16.006 6.046 -9.329 523 HB3 LYS 70 HB3 LYS 70 -14.925 4.720 -9.738 524 HG2 LYS 70 HG2 LYS 70 -14.145 7.546 -9.059 525 HG3 LYS 70 HG3 LYS 70 -13.887 6.102 -8.078 526 HD2 LYS 70 HD2 LYS 70 -11.837 6.169 -9.030 527 HD3 LYS 70 HD3 LYS 70 -12.665 5.343 -10.352 528 HE2 LYS 70 HE2 LYS 70 -12.046 7.006 -11.690 529 HE3 LYS 70 HE3 LYS 70 -13.111 8.071 -10.774 530 HZ1 LYS 70 HZ1 LYS 70 -10.651 7.692 -9.413 531 HZ2 LYS 70 HZ2 LYS 70 -11.368 9.130 -9.940 532 HZ3 LYS 70 HZ3 LYS 70 -10.371 8.250 -10.985 533 H SER 71 H SER 71 -13.510 6.641 -13.144 534 HA SER 71 HA SER 71 -12.055 5.439 -14.427 535 HB2 SER 71 HB2 SER 71 -11.715 4.195 -12.168 536 HB3 SER 71 HB3 SER 71 -12.703 2.931 -12.900 537 HG SER 71 HG SER 71 -10.411 4.012 -14.162 538 H ASP 72 H ASP 72 -14.511 3.005 -13.563 539 HA ASP 72 HA ASP 72 -15.816 3.198 -16.106 540 HB2 ASP 72 HB2 ASP 72 -13.561 1.715 -16.237 541 HB3 ASP 72 HB3 ASP 72 -14.709 0.477 -15.735 542 H MET 73 H MET 73 -16.379 3.191 -13.198 543 HA MET 73 HA MET 73 -18.652 1.394 -13.298 544 HB2 MET 73 HB2 MET 73 -18.159 0.366 -11.120 545 HB3 MET 73 HB3 MET 73 -16.937 -0.035 -12.320 546 HG2 MET 73 HG2 MET 73 -15.975 2.260 -11.097 547 HG3 MET 73 HG3 MET 73 -16.667 1.312 -9.782 548 HE1 MET 73 HE1 MET 73 -16.255 -1.108 -9.431 549 HE2 MET 73 HE2 MET 73 -15.943 -1.867 -10.992 550 HE3 MET 73 HE3 MET 73 -14.716 -1.919 -9.724 551 H SER 74 H SER 74 -20.352 2.040 -11.998 552 HA SER 74 HA SER 74 -20.476 4.767 -11.317 553 HB2 SER 74 HB2 SER 74 -22.518 3.680 -11.879 554 HB3 SER 74 HB3 SER 74 -22.271 2.428 -10.662 555 HG SER 74 HG SER 74 -23.436 4.850 -10.409 556 H ILE 75 H ILE 75 -20.418 5.836 -9.368 557 HA ILE 75 HA ILE 75 -18.619 5.068 -7.438 558 HB ILE 75 HB ILE 75 -21.002 6.894 -7.116 559 HG12 ILE 75 HG12 ILE 75 -18.809 8.486 -7.169 560 HG13 ILE 75 HG13 ILE 75 -18.271 7.180 -8.218 561 HG21 ILE 75 HG21 ILE 75 -18.920 6.040 -5.227 562 HG22 ILE 75 HG22 ILE 75 -19.181 7.781 -5.321 563 HG23 ILE 75 HG23 ILE 75 -20.524 6.709 -4.926 564 HD11 ILE 75 HD11 ILE 75 -19.301 8.264 -9.854 565 HD12 ILE 75 HD12 ILE 75 -20.814 7.728 -9.123 566 HD13 ILE 75 HD13 ILE 75 -20.156 9.315 -8.725 567 H ALA 76 H ALA 76 -22.022 4.293 -7.671 568 HA ALA 76 HA ALA 76 -22.393 3.352 -5.032 569 HB1 ALA 76 HB1 ALA 76 -24.109 3.889 -6.944 570 HB2 ALA 76 HB2 ALA 76 -23.924 2.171 -7.298 571 HB3 ALA 76 HB3 ALA 76 -24.481 2.688 -5.707 572 H HIS 77 H HIS 77 -21.523 1.698 -8.050 573 HA HIS 77 HA HIS 77 -21.331 -0.874 -6.796 574 HB2 HIS 77 HB2 HIS 77 -20.264 0.018 -9.482 575 HB3 HIS 77 HB3 HIS 77 -20.490 -1.646 -8.949 576 HD1 HIS 77 HD1 HIS 77 -21.963 0.410 -11.234 577 HD2 HIS 77 HD2 HIS 77 -23.534 -1.652 -7.987 578 HE1 HIS 77 HE1 HIS 77 -24.420 0.171 -11.714 579 H TYR 78 H TYR 78 -19.089 1.685 -7.684 580 HA TYR 78 HA TYR 78 -16.675 0.342 -7.382 581 HB2 TYR 78 HB2 TYR 78 -16.920 2.648 -8.274 582 HB3 TYR 78 HB3 TYR 78 -17.247 3.219 -6.641 583 HD1 TYR 78 HD1 TYR 78 -15.430 2.937 -4.886 584 HD2 TYR 78 HD2 TYR 78 -14.715 2.418 -9.048 585 HE1 TYR 78 HE1 TYR 78 -13.018 3.232 -4.502 586 HE2 TYR 78 HE2 TYR 78 -12.301 2.709 -8.676 587 HH TYR 78 HH TYR 78 -10.810 3.761 -7.009 588 H ASN 79 H ASN 79 -18.715 1.905 -4.954 589 HA ASN 79 HA ASN 79 -17.001 1.710 -2.763 590 HB2 ASN 79 HB2 ASN 79 -19.924 2.005 -3.151 591 HB3 ASN 79 HB3 ASN 79 -19.407 1.418 -1.573 592 HD21 ASN 79 HD21 ASN 79 -20.684 3.896 -2.124 593 HD22 ASN 79 HD22 ASN 79 -19.594 5.155 -1.663 594 H ALA 80 H ALA 80 -19.118 -0.669 -4.234 595 HA ALA 80 HA ALA 80 -18.885 -2.595 -2.137 596 HB1 ALA 80 HB1 ALA 80 -19.564 -4.029 -4.377 597 HB2 ALA 80 HB2 ALA 80 -20.695 -3.251 -3.269 598 HB3 ALA 80 HB3 ALA 80 -20.187 -2.418 -4.738 599 H VAL 81 H VAL 81 -17.325 -2.173 -5.298 600 HA VAL 81 HA VAL 81 -15.785 -4.496 -5.312 601 HB VAL 81 HB VAL 81 -14.907 -1.840 -6.446 602 HG11 VAL 81 HG11 VAL 81 -13.217 -3.614 -6.453 603 HG12 VAL 81 HG12 VAL 81 -14.336 -4.673 -7.313 604 HG13 VAL 81 HG13 VAL 81 -13.738 -3.206 -8.088 605 HG21 VAL 81 HG21 VAL 81 -16.802 -1.892 -7.633 606 HG22 VAL 81 HG22 VAL 81 -16.069 -3.236 -8.508 607 HG23 VAL 81 HG23 VAL 81 -17.158 -3.553 -7.158 608 H HIS 82 H HIS 82 -14.926 -1.246 -4.139 609 HA HIS 82 HA HIS 82 -12.330 -1.803 -3.306 610 HB2 HIS 82 HB2 HIS 82 -13.028 0.471 -3.388 611 HB3 HIS 82 HB3 HIS 82 -14.369 0.173 -2.286 612 HD1 HIS 82 HD1 HIS 82 -13.944 0.905 0.031 613 HD2 HIS 82 HD2 HIS 82 -10.417 -0.011 -1.964 614 HE1 HIS 82 HE1 HIS 82 -12.097 1.438 1.652 615 H SER 83 H SER 83 -15.404 -2.375 -1.711 616 HA SER 83 HA SER 83 -14.458 -2.934 0.867 617 HB2 SER 83 HB2 SER 83 -16.942 -3.236 -0.595 618 HB3 SER 83 HB3 SER 83 -16.660 -4.617 0.466 619 HG SER 83 HG SER 83 -17.580 -2.280 1.158 620 H ALA 84 H ALA 84 -14.989 -5.070 -1.916 621 HA ALA 84 HA ALA 84 -14.168 -7.439 -0.564 622 HB1 ALA 84 HB1 ALA 84 -14.032 -8.372 -2.904 623 HB2 ALA 84 HB2 ALA 84 -15.596 -7.706 -2.432 624 HB3 ALA 84 HB3 ALA 84 -14.521 -6.778 -3.478 625 H ALA 85 H ALA 85 -12.565 -5.335 -2.950 626 HA ALA 85 HA ALA 85 -10.141 -6.691 -3.108 627 HB1 ALA 85 HB1 ALA 85 -9.190 -4.561 -3.886 628 HB2 ALA 85 HB2 ALA 85 -10.735 -4.923 -4.656 629 HB3 ALA 85 HB3 ALA 85 -10.654 -3.730 -3.360 630 H LYS 86 H LYS 86 -11.274 -4.331 -0.755 631 HA LYS 86 HA LYS 86 -8.817 -3.859 0.535 632 HB2 LYS 86 HB2 LYS 86 -10.909 -2.498 0.797 633 HB3 LYS 86 HB3 LYS 86 -11.563 -3.791 1.793 634 HG2 LYS 86 HG2 LYS 86 -10.631 -2.839 3.557 635 HG3 LYS 86 HG3 LYS 86 -9.044 -3.186 2.867 636 HD2 LYS 86 HD2 LYS 86 -10.664 -0.729 2.209 637 HD3 LYS 86 HD3 LYS 86 -9.425 -0.783 3.465 638 HE2 LYS 86 HE2 LYS 86 -7.857 -1.622 1.631 639 HE3 LYS 86 HE3 LYS 86 -9.100 -1.102 0.495 640 HZ1 LYS 86 HZ1 LYS 86 -8.114 0.770 2.540 641 HZ2 LYS 86 HZ2 LYS 86 -8.789 1.101 1.025 642 HZ3 LYS 86 HZ3 LYS 86 -7.208 0.511 1.135 643 H THR 87 H THR 87 -11.412 -6.186 1.208 644 HA THR 87 HA THR 87 -10.235 -7.324 3.503 645 HB THR 87 HB THR 87 -11.946 -8.982 1.694 646 HG1 THR 87 HG1 THR 87 -12.997 -6.917 3.347 647 HG21 THR 87 HG21 THR 87 -11.769 -8.548 4.675 648 HG22 THR 87 HG22 THR 87 -11.290 -9.984 3.771 649 HG23 THR 87 HG23 THR 87 -12.994 -9.549 3.898 650 H MET 88 H MET 88 -9.937 -8.052 0.070 651 HA MET 88 HA MET 88 -8.375 -10.427 0.501 652 HB2 MET 88 HB2 MET 88 -9.016 -8.800 -1.956 653 HB3 MET 88 HB3 MET 88 -7.973 -10.215 -2.001 654 HG2 MET 88 HG2 MET 88 -9.772 -11.622 -1.238 655 HG3 MET 88 HG3 MET 88 -10.821 -10.221 -1.035 656 HE1 MET 88 HE1 MET 88 -11.192 -8.515 -3.462 657 HE2 MET 88 HE2 MET 88 -12.312 -9.550 -4.348 658 HE3 MET 88 HE3 MET 88 -12.391 -9.469 -2.587 659 H GLY 89 H GLY 89 -7.753 -7.051 0.284 660 HA2 GLY 89 HA2 GLY 89 -5.794 -5.888 0.634 661 HA3 GLY 89 HA3 GLY 89 -4.991 -7.425 0.919 662 H ILE 90 H ILE 90 -6.754 -6.782 -2.023 663 HA ILE 90 HA ILE 90 -4.246 -7.018 -3.513 664 HB ILE 90 HB ILE 90 -7.048 -7.077 -4.628 665 HG12 ILE 90 HG12 ILE 90 -5.295 -9.408 -3.820 666 HG13 ILE 90 HG13 ILE 90 -6.725 -8.866 -2.949 667 HG21 ILE 90 HG21 ILE 90 -5.994 -7.071 -6.583 668 HG22 ILE 90 HG22 ILE 90 -4.423 -7.123 -5.786 669 HG23 ILE 90 HG23 ILE 90 -5.276 -8.623 -6.152 670 HD11 ILE 90 HD11 ILE 90 -6.557 -10.708 -5.075 671 HD12 ILE 90 HD12 ILE 90 -7.995 -10.141 -4.226 672 HD13 ILE 90 HD13 ILE 90 -7.431 -9.296 -5.668 673 H ASP 91 H ASP 91 -3.577 -5.523 -5.028 674 HA ASP 91 HA ASP 91 -4.880 -2.892 -4.842 675 HB2 ASP 91 HB2 ASP 91 -2.060 -3.771 -5.020 676 HB3 ASP 91 HB3 ASP 91 -2.476 -2.335 -5.952 677 H THR 92 H THR 92 -2.978 -4.780 -7.199 678 HA THR 92 HA THR 92 -4.705 -3.677 -9.319 679 HB THR 92 HB THR 92 -2.535 -2.818 -9.717 680 HG1 THR 92 HG1 THR 92 -2.313 -3.551 -11.734 681 HG21 THR 92 HG21 THR 92 -0.808 -3.814 -8.707 682 HG22 THR 92 HG22 THR 92 -0.797 -4.960 -10.047 683 HG23 THR 92 HG23 THR 92 -1.680 -5.339 -8.569 684 H TRP 93 H TRP 93 -6.190 -5.269 -9.583 685 HA TRP 93 HA TRP 93 -5.211 -8.013 -9.977 686 HB2 TRP 93 HB2 TRP 93 -7.511 -8.735 -9.550 687 HB3 TRP 93 HB3 TRP 93 -6.916 -7.738 -8.226 688 HD1 TRP 93 HD1 TRP 93 -9.590 -7.867 -10.900 689 HE1 TRP 93 HE1 TRP 93 -11.209 -5.892 -10.576 690 HE3 TRP 93 HE3 TRP 93 -6.975 -5.242 -7.376 691 HZ2 TRP 93 HZ2 TRP 93 -11.358 -3.533 -9.033 692 HZ3 TRP 93 HZ3 TRP 93 -7.925 -3.136 -6.529 693 HH2 TRP 93 HH2 TRP 93 -10.071 -2.301 -7.341 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -1.120 4.557 -8.224 2 HA2 GLY 1 HA2 GLY 1 1.137 4.724 -9.095 3 HA3 GLY 1 HA3 GLY 1 1.205 5.050 -7.370 4 H ALA 2 H ALA 2 0.866 2.483 -6.358 5 HA ALA 2 HA ALA 2 3.308 1.148 -7.330 6 HB1 ALA 2 HB1 ALA 2 3.126 2.255 -4.935 7 HB2 ALA 2 HB2 ALA 2 2.365 0.711 -4.548 8 HB3 ALA 2 HB3 ALA 2 4.004 0.747 -5.196 9 H MET 3 H MET 3 3.167 -0.926 -7.937 10 HA MET 3 HA MET 3 0.601 -2.298 -7.503 11 HB2 MET 3 HB2 MET 3 1.258 -3.692 -9.461 12 HB3 MET 3 HB3 MET 3 1.073 -1.985 -9.842 13 HG2 MET 3 HG2 MET 3 3.783 -2.502 -9.101 14 HG3 MET 3 HG3 MET 3 3.279 -3.647 -10.342 15 HE1 MET 3 HE1 MET 3 2.722 -3.147 -12.683 16 HE2 MET 3 HE2 MET 3 3.490 -1.783 -13.496 17 HE3 MET 3 HE3 MET 3 4.467 -2.918 -12.563 18 H ALA 4 H ALA 4 0.547 -4.020 -6.220 19 HA ALA 4 HA ALA 4 2.603 -5.964 -6.078 20 HB1 ALA 4 HB1 ALA 4 2.803 -5.359 -3.445 21 HB2 ALA 4 HB2 ALA 4 3.968 -4.864 -4.673 22 HB3 ALA 4 HB3 ALA 4 2.706 -3.748 -4.155 23 H ASN 5 H ASN 5 1.113 -7.557 -6.199 24 HA ASN 5 HA ASN 5 -1.273 -7.519 -4.573 25 HB2 ASN 5 HB2 ASN 5 -0.426 -9.968 -6.051 26 HB3 ASN 5 HB3 ASN 5 -2.029 -9.260 -5.877 27 HD21 ASN 5 HD21 ASN 5 -1.816 -6.782 -6.771 28 HD22 ASN 5 HD22 ASN 5 -1.297 -6.742 -8.419 29 HA PRO 6 HA PRO 6 0.140 -9.843 -1.129 30 HB2 PRO 6 HB2 PRO 6 -2.047 -11.342 -0.546 31 HB3 PRO 6 HB3 PRO 6 -1.967 -9.602 -0.244 32 HG2 PRO 6 HG2 PRO 6 -3.234 -11.072 -2.523 33 HG3 PRO 6 HG3 PRO 6 -3.854 -9.691 -1.599 34 HD2 PRO 6 HD2 PRO 6 -2.714 -9.417 -4.040 35 HD3 PRO 6 HD3 PRO 6 -2.588 -8.171 -2.782 36 H LYS 7 H LYS 7 0.648 -11.986 -0.347 37 HA LYS 7 HA LYS 7 1.327 -13.784 -2.504 38 HB2 LYS 7 HB2 LYS 7 2.052 -13.486 0.355 39 HB3 LYS 7 HB3 LYS 7 2.125 -15.116 -0.303 40 HG2 LYS 7 HG2 LYS 7 3.562 -14.185 -2.148 41 HG3 LYS 7 HG3 LYS 7 3.641 -12.688 -1.216 42 HD2 LYS 7 HD2 LYS 7 4.294 -15.242 0.163 43 HD3 LYS 7 HD3 LYS 7 5.476 -14.579 -0.968 44 HE2 LYS 7 HE2 LYS 7 5.081 -12.364 0.337 45 HE3 LYS 7 HE3 LYS 7 4.439 -13.424 1.591 46 HZ1 LYS 7 HZ1 LYS 7 6.631 -14.687 1.287 47 HZ2 LYS 7 HZ2 LYS 7 6.666 -13.222 2.132 48 HZ3 LYS 7 HZ3 LYS 7 7.185 -13.283 0.523 49 H THR 8 H THR 8 -0.881 -13.714 0.231 50 HA THR 8 HA THR 8 -2.454 -15.826 -0.965 51 HB THR 8 HB THR 8 -2.527 -17.037 1.324 52 HG1 THR 8 HG1 THR 8 -0.236 -16.858 2.212 53 HG21 THR 8 HG21 THR 8 -1.328 -17.644 -0.974 54 HG22 THR 8 HG22 THR 8 -1.142 -18.639 0.470 55 HG23 THR 8 HG23 THR 8 0.111 -17.478 0.032 56 H ILE 9 H ILE 9 -4.587 -15.749 -0.375 57 HA ILE 9 HA ILE 9 -5.320 -13.632 1.541 58 HB ILE 9 HB ILE 9 -7.501 -13.546 0.254 59 HG12 ILE 9 HG12 ILE 9 -6.189 -14.540 -2.177 60 HG13 ILE 9 HG13 ILE 9 -6.520 -15.794 -0.987 61 HG21 ILE 9 HG21 ILE 9 -5.185 -12.167 -0.052 62 HG22 ILE 9 HG22 ILE 9 -5.466 -12.733 -1.698 63 HG23 ILE 9 HG23 ILE 9 -6.696 -11.777 -0.872 64 HD11 ILE 9 HD11 ILE 9 -8.303 -15.434 -2.703 65 HD12 ILE 9 HD12 ILE 9 -8.843 -15.331 -1.027 66 HD13 ILE 9 HD13 ILE 9 -8.598 -13.859 -1.967 67 H LYS 10 H LYS 10 -6.375 -14.248 3.303 68 HA LYS 10 HA LYS 10 -6.952 -16.907 3.922 69 HB2 LYS 10 HB2 LYS 10 -7.327 -14.302 5.163 70 HB3 LYS 10 HB3 LYS 10 -8.647 -15.403 5.537 71 HG2 LYS 10 HG2 LYS 10 -7.263 -15.962 7.231 72 HG3 LYS 10 HG3 LYS 10 -6.606 -17.048 6.005 73 HD2 LYS 10 HD2 LYS 10 -4.752 -15.960 7.008 74 HD3 LYS 10 HD3 LYS 10 -4.974 -15.214 5.423 75 HE2 LYS 10 HE2 LYS 10 -6.562 -13.701 7.121 76 HE3 LYS 10 HE3 LYS 10 -5.116 -14.037 8.071 77 HZ1 LYS 10 HZ1 LYS 10 -4.957 -11.990 6.738 78 HZ2 LYS 10 HZ2 LYS 10 -5.092 -12.910 5.325 79 HZ3 LYS 10 HZ3 LYS 10 -3.758 -13.117 6.344 80 H ALA 11 H ALA 11 -8.725 -18.178 3.746 81 HA ALA 11 HA ALA 11 -10.584 -17.800 1.744 82 HB1 ALA 11 HB1 ALA 11 -11.459 -19.390 4.086 83 HB2 ALA 11 HB2 ALA 11 -11.468 -19.797 2.370 84 HB3 ALA 11 HB3 ALA 11 -9.964 -19.877 3.287 85 H ALA 12 H ALA 12 -10.756 -16.847 5.123 86 HA ALA 12 HA ALA 12 -13.463 -16.233 5.319 87 HB1 ALA 12 HB1 ALA 12 -12.393 -16.155 7.347 88 HB2 ALA 12 HB2 ALA 12 -11.012 -15.263 6.708 89 HB3 ALA 12 HB3 ALA 12 -12.543 -14.435 6.989 90 H ALA 13 H ALA 13 -10.778 -14.300 4.077 91 HA ALA 13 HA ALA 13 -12.200 -11.891 3.733 92 HB1 ALA 13 HB1 ALA 13 -10.372 -11.198 2.317 93 HB2 ALA 13 HB2 ALA 13 -9.737 -12.067 3.715 94 HB3 ALA 13 HB3 ALA 13 -9.829 -12.868 2.146 95 H TYR 14 H TYR 14 -11.696 -14.673 1.614 96 HA TYR 14 HA TYR 14 -12.783 -13.602 -0.731 97 HB2 TYR 14 HB2 TYR 14 -11.530 -15.847 -0.316 98 HB3 TYR 14 HB3 TYR 14 -13.136 -16.493 -0.001 99 HD1 TYR 14 HD1 TYR 14 -14.304 -17.402 -1.773 100 HD2 TYR 14 HD2 TYR 14 -11.342 -14.453 -2.570 101 HE1 TYR 14 HE1 TYR 14 -14.659 -17.706 -4.188 102 HE2 TYR 14 HE2 TYR 14 -11.689 -14.748 -4.987 103 HH TYR 14 HH TYR 14 -13.990 -17.149 -6.232 104 H ASN 15 H ASN 15 -14.340 -15.526 1.827 105 HA ASN 15 HA ASN 15 -16.913 -15.549 0.726 106 HB2 ASN 15 HB2 ASN 15 -15.939 -15.762 3.574 107 HB3 ASN 15 HB3 ASN 15 -17.639 -15.918 3.144 108 HD21 ASN 15 HD21 ASN 15 -14.438 -17.263 2.587 109 HD22 ASN 15 HD22 ASN 15 -14.976 -18.858 2.197 110 H GLN 16 H GLN 16 -15.249 -13.165 2.686 111 HA GLN 16 HA GLN 16 -17.573 -11.581 3.209 112 HB2 GLN 16 HB2 GLN 16 -15.698 -11.463 4.727 113 HB3 GLN 16 HB3 GLN 16 -14.625 -10.962 3.428 114 HG2 GLN 16 HG2 GLN 16 -15.281 -9.109 4.899 115 HG3 GLN 16 HG3 GLN 16 -15.769 -8.859 3.224 116 HE21 GLN 16 HE21 GLN 16 -17.749 -8.149 2.941 117 HE22 GLN 16 HE22 GLN 16 -19.073 -8.351 4.031 118 H ALA 17 H ALA 17 -15.079 -11.636 0.747 119 HA ALA 17 HA ALA 17 -15.598 -9.113 -0.401 120 HB1 ALA 17 HB1 ALA 17 -14.310 -11.621 -1.416 121 HB2 ALA 17 HB2 ALA 17 -14.557 -10.231 -2.473 122 HB3 ALA 17 HB3 ALA 17 -13.570 -10.069 -1.021 123 H ARG 18 H ARG 18 -16.738 -12.365 -1.308 124 HA ARG 18 HA ARG 18 -18.434 -11.430 -3.389 125 HB2 ARG 18 HB2 ARG 18 -19.432 -13.751 -3.210 126 HB3 ARG 18 HB3 ARG 18 -17.706 -13.681 -3.535 127 HG2 ARG 18 HG2 ARG 18 -17.192 -14.741 -1.641 128 HG3 ARG 18 HG3 ARG 18 -18.341 -13.794 -0.693 129 HD2 ARG 18 HD2 ARG 18 -19.731 -15.573 -2.474 130 HD3 ARG 18 HD3 ARG 18 -18.573 -16.470 -1.493 131 HE ARG 18 HE ARG 18 -19.814 -14.941 0.336 132 HH11 ARG 18 HH11 ARG 18 -21.011 -17.014 -2.192 133 HH12 ARG 18 HH12 ARG 18 -22.464 -17.428 -1.343 134 HH21 ARG 18 HH21 ARG 18 -21.723 -15.478 1.463 135 HH22 ARG 18 HH22 ARG 18 -22.868 -16.553 0.735 136 H SER 19 H SER 19 -18.869 -12.053 0.032 137 HA SER 19 HA SER 19 -21.651 -12.098 0.170 138 HB2 SER 19 HB2 SER 19 -20.911 -12.585 2.249 139 HB3 SER 19 HB3 SER 19 -19.435 -11.644 2.042 140 HG SER 19 HG SER 19 -22.000 -10.743 2.820 141 H THR 20 H THR 20 -19.441 -9.326 0.465 142 HA THR 20 HA THR 20 -21.349 -7.340 0.866 143 HB THR 20 HB THR 20 -18.740 -7.048 -0.635 144 HG1 THR 20 HG1 THR 20 -19.338 -6.830 2.146 145 HG21 THR 20 HG21 THR 20 -20.151 -5.108 -0.932 146 HG22 THR 20 HG22 THR 20 -18.854 -4.711 0.197 147 HG23 THR 20 HG23 THR 20 -20.479 -5.039 0.799 148 H LEU 21 H LEU 21 -20.001 -8.599 -2.167 149 HA LEU 21 HA LEU 21 -21.331 -6.840 -3.903 150 HB2 LEU 21 HB2 LEU 21 -20.601 -9.697 -4.506 151 HB3 LEU 21 HB3 LEU 21 -20.784 -8.371 -5.652 152 HG LEU 21 HG LEU 21 -18.671 -8.235 -3.539 153 HD11 LEU 21 HD11 LEU 21 -17.527 -9.943 -4.359 154 HD12 LEU 21 HD12 LEU 21 -17.547 -9.197 -5.957 155 HD13 LEU 21 HD13 LEU 21 -18.841 -10.297 -5.481 156 HD21 LEU 21 HD21 LEU 21 -17.529 -6.980 -5.380 157 HD22 LEU 21 HD22 LEU 21 -19.013 -6.234 -4.787 158 HD23 LEU 21 HD23 LEU 21 -19.018 -7.117 -6.314 159 H ALA 22 H ALA 22 -22.381 -9.733 -2.270 160 HA ALA 22 HA ALA 22 -24.570 -10.490 -3.784 161 HB1 ALA 22 HB1 ALA 22 -25.051 -11.869 -2.077 162 HB2 ALA 22 HB2 ALA 22 -23.503 -11.316 -1.435 163 HB3 ALA 22 HB3 ALA 22 -25.004 -10.574 -0.880 164 H ASP 23 H ASP 23 -24.132 -7.674 -1.836 165 HA ASP 23 HA ASP 23 -26.760 -7.004 -1.203 166 HB2 ASP 23 HB2 ASP 23 -24.316 -5.335 -1.757 167 HB3 ASP 23 HB3 ASP 23 -25.861 -4.592 -1.353 168 H ALA 24 H ALA 24 -24.967 -6.620 -4.197 169 HA ALA 24 HA ALA 24 -27.382 -5.490 -5.453 170 HB1 ALA 24 HB1 ALA 24 -25.274 -4.098 -5.467 171 HB2 ALA 24 HB2 ALA 24 -24.590 -5.305 -6.557 172 HB3 ALA 24 HB3 ALA 24 -26.018 -4.389 -7.039 173 H GLY 25 H GLY 25 -25.022 -8.045 -5.532 174 HA2 GLY 25 HA2 GLY 25 -26.050 -10.142 -6.503 175 HA3 GLY 25 HA3 GLY 25 -26.337 -9.158 -7.931 176 H SER 26 H SER 26 -24.765 -11.623 -7.610 177 HA SER 26 HA SER 26 -22.175 -10.582 -8.556 178 HB2 SER 26 HB2 SER 26 -22.628 -12.226 -6.315 179 HB3 SER 26 HB3 SER 26 -21.954 -13.281 -7.557 180 HG SER 26 HG SER 26 -20.282 -11.647 -7.799 181 H ARG 27 H ARG 27 -21.654 -11.152 -10.559 182 HA ARG 27 HA ARG 27 -23.367 -12.904 -12.058 183 HB2 ARG 27 HB2 ARG 27 -21.300 -10.935 -12.625 184 HB3 ARG 27 HB3 ARG 27 -21.147 -12.363 -13.641 185 HG2 ARG 27 HG2 ARG 27 -23.826 -11.108 -13.341 186 HG3 ARG 27 HG3 ARG 27 -22.625 -10.326 -14.370 187 HD2 ARG 27 HD2 ARG 27 -22.840 -11.871 -15.973 188 HD3 ARG 27 HD3 ARG 27 -22.809 -13.198 -14.812 189 HE ARG 27 HE ARG 27 -25.287 -12.058 -14.533 190 HH11 ARG 27 HH11 ARG 27 -23.472 -13.485 -17.139 191 HH12 ARG 27 HH12 ARG 27 -24.876 -14.058 -17.977 192 HH21 ARG 27 HH21 ARG 27 -27.143 -12.807 -15.627 193 HH22 ARG 27 HH22 ARG 27 -26.964 -13.670 -17.117 194 H THR 28 H THR 28 -19.874 -12.928 -11.331 195 HA THR 28 HA THR 28 -19.570 -15.630 -12.246 196 HB THR 28 HB THR 28 -17.281 -15.436 -11.732 197 HG1 THR 28 HG1 THR 28 -17.062 -14.729 -9.709 198 HG21 THR 28 HG21 THR 28 -17.797 -12.537 -12.188 199 HG22 THR 28 HG22 THR 28 -18.380 -13.692 -13.387 200 HG23 THR 28 HG23 THR 28 -16.663 -13.622 -12.992 201 H ALA 29 H ALA 29 -19.566 -14.034 -9.073 202 HA ALA 29 HA ALA 29 -19.042 -16.275 -7.497 203 HB1 ALA 29 HB1 ALA 29 -19.302 -14.863 -5.783 204 HB2 ALA 29 HB2 ALA 29 -19.517 -13.621 -7.017 205 HB3 ALA 29 HB3 ALA 29 -20.925 -14.397 -6.292 206 H ALA 30 H ALA 30 -21.967 -15.246 -9.080 207 HA ALA 30 HA ALA 30 -23.884 -16.646 -7.623 208 HB1 ALA 30 HB1 ALA 30 -23.695 -15.564 -10.364 209 HB2 ALA 30 HB2 ALA 30 -24.928 -16.794 -10.087 210 HB3 ALA 30 HB3 ALA 30 -24.926 -15.316 -9.125 211 H LYS 31 H LYS 31 -21.662 -17.744 -10.114 212 HA LYS 31 HA LYS 31 -22.792 -20.447 -9.956 213 HB2 LYS 31 HB2 LYS 31 -20.905 -19.150 -11.921 214 HB3 LYS 31 HB3 LYS 31 -21.243 -20.876 -11.919 215 HG2 LYS 31 HG2 LYS 31 -23.080 -20.555 -13.106 216 HG3 LYS 31 HG3 LYS 31 -23.710 -19.438 -11.893 217 HD2 LYS 31 HD2 LYS 31 -23.570 -18.346 -14.060 218 HD3 LYS 31 HD3 LYS 31 -22.431 -17.613 -12.929 219 HE2 LYS 31 HE2 LYS 31 -20.706 -18.114 -14.242 220 HE3 LYS 31 HE3 LYS 31 -21.201 -19.803 -14.338 221 HZ1 LYS 31 HZ1 LYS 31 -22.574 -17.758 -15.954 222 HZ2 LYS 31 HZ2 LYS 31 -22.441 -19.421 -16.231 223 HZ3 LYS 31 HZ3 LYS 31 -21.105 -18.413 -16.480 224 H SER 32 H SER 32 -20.012 -18.556 -9.123 225 HA SER 32 HA SER 32 -18.566 -20.980 -8.297 226 HB2 SER 32 HB2 SER 32 -17.633 -18.173 -8.894 227 HB3 SER 32 HB3 SER 32 -16.611 -19.345 -8.061 228 HG SER 32 HG SER 32 -16.648 -20.641 -9.859 229 H HIS 33 H HIS 33 -18.708 -21.509 -6.230 230 HA HIS 33 HA HIS 33 -19.596 -19.563 -4.270 231 HB2 HIS 33 HB2 HIS 33 -19.365 -22.518 -4.396 232 HB3 HIS 33 HB3 HIS 33 -19.200 -21.784 -2.804 233 HD1 HIS 33 HD1 HIS 33 -21.684 -23.071 -5.028 234 HD2 HIS 33 HD2 HIS 33 -21.536 -19.972 -2.264 235 HE1 HIS 33 HE1 HIS 33 -24.082 -22.528 -4.497 236 HA PRO 34 HA PRO 34 -15.726 -18.648 -2.420 237 HB2 PRO 34 HB2 PRO 34 -16.332 -18.618 0.227 238 HB3 PRO 34 HB3 PRO 34 -16.865 -17.360 -0.895 239 HG2 PRO 34 HG2 PRO 34 -18.376 -19.717 0.164 240 HG3 PRO 34 HG3 PRO 34 -18.920 -18.042 -0.046 241 HD2 PRO 34 HD2 PRO 34 -19.543 -20.007 -1.802 242 HD3 PRO 34 HD3 PRO 34 -19.311 -18.319 -2.301 243 H ILE 35 H ILE 35 -14.495 -19.372 -0.174 244 HA ILE 35 HA ILE 35 -14.398 -22.316 -0.230 245 HB ILE 35 HB ILE 35 -11.965 -20.588 0.162 246 HG12 ILE 35 HG12 ILE 35 -11.770 -21.794 -2.347 247 HG13 ILE 35 HG13 ILE 35 -13.413 -21.166 -2.290 248 HG21 ILE 35 HG21 ILE 35 -11.425 -22.671 0.957 249 HG22 ILE 35 HG22 ILE 35 -12.508 -23.498 -0.161 250 HG23 ILE 35 HG23 ILE 35 -10.976 -22.844 -0.739 251 HD11 ILE 35 HD11 ILE 35 -12.638 -19.159 -2.777 252 HD12 ILE 35 HD12 ILE 35 -11.704 -19.158 -1.281 253 HD13 ILE 35 HD13 ILE 35 -10.987 -19.777 -2.768 254 H HIS 36 H HIS 36 -14.362 -23.325 1.695 255 HA HIS 36 HA HIS 36 -13.783 -21.754 4.105 256 HB2 HIS 36 HB2 HIS 36 -16.354 -22.314 3.393 257 HB3 HIS 36 HB3 HIS 36 -15.969 -23.711 4.394 258 HD1 HIS 36 HD1 HIS 36 -15.355 -19.963 4.754 259 HD2 HIS 36 HD2 HIS 36 -16.747 -23.221 6.923 260 HE1 HIS 36 HE1 HIS 36 -15.942 -19.057 7.025 261 H GLY 37 H GLY 37 -13.587 -23.229 6.066 262 HA2 GLY 37 HA2 GLY 37 -12.408 -24.910 7.093 263 HA3 GLY 37 HA3 GLY 37 -13.166 -25.968 5.912 264 H LYS 38 H LYS 38 -10.979 -23.341 5.107 265 HA LYS 38 HA LYS 38 -8.870 -25.292 4.498 266 HB2 LYS 38 HB2 LYS 38 -10.064 -23.253 2.633 267 HB3 LYS 38 HB3 LYS 38 -8.443 -23.889 2.387 268 HG2 LYS 38 HG2 LYS 38 -9.772 -26.194 2.647 269 HG3 LYS 38 HG3 LYS 38 -11.069 -25.182 2.007 270 HD2 LYS 38 HD2 LYS 38 -10.129 -25.062 -0.032 271 HD3 LYS 38 HD3 LYS 38 -8.501 -24.874 0.625 272 HE2 LYS 38 HE2 LYS 38 -9.520 -27.523 1.134 273 HE3 LYS 38 HE3 LYS 38 -9.594 -27.144 -0.586 274 HZ1 LYS 38 HZ1 LYS 38 -7.482 -28.151 0.009 275 HZ2 LYS 38 HZ2 LYS 38 -7.179 -26.921 1.130 276 HZ3 LYS 38 HZ3 LYS 38 -7.250 -26.561 -0.522 277 H THR 39 H THR 39 -6.738 -24.388 4.351 278 HA THR 39 HA THR 39 -6.147 -22.524 6.351 279 HB THR 39 HB THR 39 -4.024 -22.543 4.431 280 HG1 THR 39 HG1 THR 39 -4.737 -24.387 3.495 281 HG21 THR 39 HG21 THR 39 -3.242 -24.244 6.395 282 HG22 THR 39 HG22 THR 39 -4.546 -23.376 7.206 283 HG23 THR 39 HG23 THR 39 -3.185 -22.486 6.526 284 H ASP 40 H ASP 40 -5.680 -22.097 2.836 285 HA ASP 40 HA ASP 40 -6.927 -19.602 2.662 286 HB2 ASP 40 HB2 ASP 40 -4.686 -18.294 2.300 287 HB3 ASP 40 HB3 ASP 40 -5.327 -18.502 3.927 288 H VAL 41 H VAL 41 -6.581 -18.551 0.577 289 HA VAL 41 HA VAL 41 -5.541 -20.448 -1.425 290 HB VAL 41 HB VAL 41 -7.108 -19.185 -3.008 291 HG11 VAL 41 HG11 VAL 41 -8.519 -20.914 -2.799 292 HG12 VAL 41 HG12 VAL 41 -7.426 -21.454 -1.523 293 HG13 VAL 41 HG13 VAL 41 -8.879 -20.541 -1.114 294 HG21 VAL 41 HG21 VAL 41 -8.915 -18.565 -0.800 295 HG22 VAL 41 HG22 VAL 41 -7.473 -17.550 -0.839 296 HG23 VAL 41 HG23 VAL 41 -8.532 -17.633 -2.247 297 HA PRO 42 HA PRO 42 -2.668 -17.465 -2.880 298 HB2 PRO 42 HB2 PRO 42 -2.652 -17.985 -5.544 299 HB3 PRO 42 HB3 PRO 42 -1.924 -19.066 -4.350 300 HG2 PRO 42 HG2 PRO 42 -4.590 -19.253 -5.698 301 HG3 PRO 42 HG3 PRO 42 -3.407 -20.534 -5.375 302 HD2 PRO 42 HD2 PRO 42 -5.604 -20.159 -3.838 303 HD3 PRO 42 HD3 PRO 42 -4.071 -20.768 -3.181 304 H VAL 43 H VAL 43 -2.425 -15.518 -4.090 305 HA VAL 43 HA VAL 43 -4.587 -13.808 -4.119 306 HB VAL 43 HB VAL 43 -2.351 -12.928 -4.195 307 HG11 VAL 43 HG11 VAL 43 -2.130 -14.005 -7.002 308 HG12 VAL 43 HG12 VAL 43 -0.891 -13.135 -6.095 309 HG13 VAL 43 HG13 VAL 43 -1.391 -14.748 -5.584 310 HG21 VAL 43 HG21 VAL 43 -3.353 -12.053 -6.851 311 HG22 VAL 43 HG22 VAL 43 -4.400 -11.817 -5.452 312 HG23 VAL 43 HG23 VAL 43 -2.793 -11.094 -5.482 313 H SER 44 H SER 44 -3.480 -15.995 -6.615 314 HA SER 44 HA SER 44 -4.818 -14.976 -8.827 315 HB2 SER 44 HB2 SER 44 -3.431 -17.369 -8.165 316 HB3 SER 44 HB3 SER 44 -4.961 -17.832 -8.908 317 HG SER 44 HG SER 44 -3.281 -17.490 -10.447 318 H TYR 45 H TYR 45 -6.009 -16.900 -6.150 319 HA TYR 45 HA TYR 45 -8.550 -17.470 -7.331 320 HB2 TYR 45 HB2 TYR 45 -7.272 -18.649 -5.349 321 HB3 TYR 45 HB3 TYR 45 -8.138 -17.472 -4.368 322 HD1 TYR 45 HD1 TYR 45 -10.758 -17.286 -5.344 323 HD2 TYR 45 HD2 TYR 45 -8.255 -20.726 -5.288 324 HE1 TYR 45 HE1 TYR 45 -12.750 -18.728 -5.366 325 HE2 TYR 45 HE2 TYR 45 -10.241 -22.178 -5.311 326 HH TYR 45 HH TYR 45 -12.456 -22.268 -5.283 327 H GLY 46 H GLY 46 -7.443 -15.186 -4.833 328 HA2 GLY 46 HA2 GLY 46 -9.947 -13.978 -4.382 329 HA3 GLY 46 HA3 GLY 46 -8.385 -13.259 -4.017 330 H THR 47 H THR 47 -7.330 -13.158 -6.621 331 HA THR 47 HA THR 47 -8.305 -10.708 -7.523 332 HB THR 47 HB THR 47 -7.068 -11.302 -9.689 333 HG1 THR 47 HG1 THR 47 -6.941 -13.474 -9.719 334 HG21 THR 47 HG21 THR 47 -4.853 -11.127 -8.587 335 HG22 THR 47 HG22 THR 47 -5.635 -11.418 -7.033 336 HG23 THR 47 HG23 THR 47 -6.026 -9.970 -7.960 337 H SER 48 H SER 48 -9.170 -13.986 -8.436 338 HA SER 48 HA SER 48 -10.589 -13.442 -10.783 339 HB2 SER 48 HB2 SER 48 -10.896 -15.621 -8.714 340 HB3 SER 48 HB3 SER 48 -11.849 -15.578 -10.198 341 HG SER 48 HG SER 48 -10.200 -16.456 -11.134 342 H LEU 49 H LEU 49 -11.648 -13.466 -7.404 343 HA LEU 49 HA LEU 49 -14.375 -12.870 -8.026 344 HB2 LEU 49 HB2 LEU 49 -13.750 -14.041 -5.982 345 HB3 LEU 49 HB3 LEU 49 -12.848 -12.629 -5.437 346 HG LEU 49 HG LEU 49 -14.804 -11.411 -4.996 347 HD11 LEU 49 HD11 LEU 49 -16.274 -11.560 -6.713 348 HD12 LEU 49 HD12 LEU 49 -17.057 -12.696 -5.615 349 HD13 LEU 49 HD13 LEU 49 -16.033 -13.295 -6.919 350 HD21 LEU 49 HD21 LEU 49 -15.873 -14.071 -4.229 351 HD22 LEU 49 HD22 LEU 49 -15.680 -12.605 -3.267 352 HD23 LEU 49 HD23 LEU 49 -14.280 -13.619 -3.622 353 H LEU 50 H LEU 50 -11.529 -10.993 -7.187 354 HA LEU 50 HA LEU 50 -12.834 -8.537 -6.697 355 HB2 LEU 50 HB2 LEU 50 -10.253 -9.472 -6.549 356 HB3 LEU 50 HB3 LEU 50 -10.176 -8.320 -7.881 357 HG LEU 50 HG LEU 50 -11.017 -7.755 -5.041 358 HD11 LEU 50 HD11 LEU 50 -8.772 -7.637 -4.866 359 HD12 LEU 50 HD12 LEU 50 -9.019 -6.049 -5.593 360 HD13 LEU 50 HD13 LEU 50 -8.538 -7.414 -6.600 361 HD21 LEU 50 HD21 LEU 50 -10.724 -5.350 -6.360 362 HD22 LEU 50 HD22 LEU 50 -12.249 -6.107 -5.900 363 HD23 LEU 50 HD23 LEU 50 -11.594 -6.354 -7.520 364 H ALA 51 H ALA 51 -11.206 -9.787 -9.608 365 HA ALA 51 HA ALA 51 -11.899 -7.556 -11.229 366 HB1 ALA 51 HB1 ALA 51 -10.428 -10.016 -11.529 367 HB2 ALA 51 HB2 ALA 51 -11.449 -9.714 -12.935 368 HB3 ALA 51 HB3 ALA 51 -10.278 -8.501 -12.419 369 H ALA 52 H ALA 52 -13.416 -10.638 -10.529 370 HA ALA 52 HA ALA 52 -15.267 -10.756 -12.610 371 HB1 ALA 52 HB1 ALA 52 -15.312 -12.704 -11.462 372 HB2 ALA 52 HB2 ALA 52 -15.064 -11.919 -9.901 373 HB3 ALA 52 HB3 ALA 52 -16.663 -11.917 -10.645 374 H ALA 53 H ALA 53 -15.576 -9.263 -9.397 375 HA ALA 53 HA ALA 53 -18.213 -8.287 -9.857 376 HB1 ALA 53 HB1 ALA 53 -16.255 -8.210 -7.710 377 HB2 ALA 53 HB2 ALA 53 -17.164 -6.705 -7.859 378 HB3 ALA 53 HB3 ALA 53 -18.017 -8.233 -7.636 379 H ARG 54 H ARG 54 -14.979 -6.904 -10.157 380 HA ARG 54 HA ARG 54 -15.640 -4.234 -10.542 381 HB2 ARG 54 HB2 ARG 54 -13.364 -4.606 -10.327 382 HB3 ARG 54 HB3 ARG 54 -13.374 -5.962 -11.447 383 HG2 ARG 54 HG2 ARG 54 -13.226 -4.620 -13.293 384 HG3 ARG 54 HG3 ARG 54 -13.998 -3.250 -12.493 385 HD2 ARG 54 HD2 ARG 54 -12.035 -2.417 -11.845 386 HD3 ARG 54 HD3 ARG 54 -11.512 -3.974 -11.205 387 HE ARG 54 HE ARG 54 -11.324 -4.073 -13.989 388 HH11 ARG 54 HH11 ARG 54 -9.857 -2.418 -11.301 389 HH12 ARG 54 HH12 ARG 54 -8.329 -2.215 -12.091 390 HH21 ARG 54 HH21 ARG 54 -9.317 -3.812 -15.040 391 HH22 ARG 54 HH22 ARG 54 -8.023 -3.007 -14.219 392 H ASP 55 H ASP 55 -15.215 -6.767 -13.012 393 HA ASP 55 HA ASP 55 -15.994 -5.122 -15.184 394 HB2 ASP 55 HB2 ASP 55 -14.668 -7.085 -15.610 395 HB3 ASP 55 HB3 ASP 55 -15.888 -8.127 -14.883 396 H GLU 56 H GLU 56 -17.743 -7.421 -13.142 397 HA GLU 56 HA GLU 56 -20.164 -7.450 -14.534 398 HB2 GLU 56 HB2 GLU 56 -19.641 -9.025 -12.732 399 HB3 GLU 56 HB3 GLU 56 -19.690 -7.715 -11.560 400 HG2 GLU 56 HG2 GLU 56 -22.117 -7.392 -12.503 401 HG3 GLU 56 HG3 GLU 56 -21.918 -9.078 -12.978 402 H PHE 57 H PHE 57 -19.085 -5.341 -11.887 403 HA PHE 57 HA PHE 57 -21.441 -3.853 -11.627 404 HB2 PHE 57 HB2 PHE 57 -18.559 -3.209 -11.028 405 HB3 PHE 57 HB3 PHE 57 -19.855 -2.064 -10.701 406 HD1 PHE 57 HD1 PHE 57 -21.986 -3.830 -9.731 407 HD2 PHE 57 HD2 PHE 57 -17.803 -3.873 -8.944 408 HE1 PHE 57 HE1 PHE 57 -22.408 -4.924 -7.568 409 HE2 PHE 57 HE2 PHE 57 -18.218 -4.968 -6.780 410 HZ PHE 57 HZ PHE 57 -20.523 -5.495 -6.090 411 H ARG 58 H ARG 58 -18.757 -3.574 -13.858 412 HA ARG 58 HA ARG 58 -19.202 -1.005 -14.841 413 HB2 ARG 58 HB2 ARG 58 -17.228 -2.451 -15.354 414 HB3 ARG 58 HB3 ARG 58 -18.251 -3.389 -16.434 415 HG2 ARG 58 HG2 ARG 58 -18.707 -1.015 -17.494 416 HG3 ARG 58 HG3 ARG 58 -17.141 -0.658 -16.763 417 HD2 ARG 58 HD2 ARG 58 -17.576 -3.085 -18.477 418 HD3 ARG 58 HD3 ARG 58 -17.165 -1.518 -19.174 419 HE ARG 58 HE ARG 58 -15.370 -2.294 -17.090 420 HH11 ARG 58 HH11 ARG 58 -16.123 -2.706 -20.464 421 HH12 ARG 58 HH12 ARG 58 -14.500 -3.119 -20.909 422 HH21 ARG 58 HH21 ARG 58 -13.230 -2.836 -17.664 423 HH22 ARG 58 HH22 ARG 58 -12.856 -3.193 -19.316 424 H GLN 59 H GLN 59 -20.804 -4.037 -15.561 425 HA GLN 59 HA GLN 59 -22.210 -3.118 -17.857 426 HB2 GLN 59 HB2 GLN 59 -21.915 -5.477 -17.568 427 HB3 GLN 59 HB3 GLN 59 -22.677 -5.437 -15.984 428 HG2 GLN 59 HG2 GLN 59 -24.473 -4.388 -17.952 429 HG3 GLN 59 HG3 GLN 59 -23.874 -5.966 -18.460 430 HE21 GLN 59 HE21 GLN 59 -25.542 -4.218 -15.927 431 HE22 GLN 59 HE22 GLN 59 -26.317 -5.593 -15.225 432 H ALA 60 H ALA 60 -22.886 -3.149 -14.411 433 HA ALA 60 HA ALA 60 -25.619 -2.540 -14.495 434 HB1 ALA 60 HB1 ALA 60 -23.511 -1.931 -12.434 435 HB2 ALA 60 HB2 ALA 60 -25.227 -1.598 -12.196 436 HB3 ALA 60 HB3 ALA 60 -24.676 -3.256 -12.438 437 H ASP 61 H ASP 61 -22.794 -0.389 -14.305 438 HA ASP 61 HA ASP 61 -24.529 1.924 -14.736 439 HB2 ASP 61 HB2 ASP 61 -22.564 3.272 -14.197 440 HB3 ASP 61 HB3 ASP 61 -22.839 2.061 -12.948 441 H LYS 62 H LYS 62 -24.160 0.051 -16.874 442 HA LYS 62 HA LYS 62 -22.263 1.143 -18.734 443 HB2 LYS 62 HB2 LYS 62 -22.772 -1.193 -18.909 444 HB3 LYS 62 HB3 LYS 62 -24.496 -0.867 -19.028 445 HG2 LYS 62 HG2 LYS 62 -24.395 -0.460 -21.228 446 HG3 LYS 62 HG3 LYS 62 -22.870 0.420 -21.099 447 HD2 LYS 62 HD2 LYS 62 -22.075 -1.395 -22.194 448 HD3 LYS 62 HD3 LYS 62 -22.001 -2.062 -20.561 449 HE2 LYS 62 HE2 LYS 62 -23.141 -3.748 -21.576 450 HE3 LYS 62 HE3 LYS 62 -24.508 -2.725 -21.137 451 HZ1 LYS 62 HZ1 LYS 62 -24.560 -3.522 -23.460 452 HZ2 LYS 62 HZ2 LYS 62 -23.149 -2.644 -23.775 453 HZ3 LYS 62 HZ3 LYS 62 -24.569 -1.835 -23.338 454 H LYS 63 H LYS 63 -25.663 1.557 -18.044 455 HA LYS 63 HA LYS 63 -26.313 2.934 -20.454 456 HB2 LYS 63 HB2 LYS 63 -28.092 1.896 -19.237 457 HB3 LYS 63 HB3 LYS 63 -27.674 2.764 -17.766 458 HG2 LYS 63 HG2 LYS 63 -28.314 4.478 -20.057 459 HG3 LYS 63 HG3 LYS 63 -29.648 3.478 -19.477 460 HD2 LYS 63 HD2 LYS 63 -27.961 5.236 -17.700 461 HD3 LYS 63 HD3 LYS 63 -29.499 5.735 -18.408 462 HE2 LYS 63 HE2 LYS 63 -30.429 3.585 -17.316 463 HE3 LYS 63 HE3 LYS 63 -28.961 3.634 -16.340 464 HZ1 LYS 63 HZ1 LYS 63 -30.500 4.794 -15.081 465 HZ2 LYS 63 HZ2 LYS 63 -31.188 5.567 -16.419 466 HZ3 LYS 63 HZ3 LYS 63 -29.660 6.036 -15.864 467 H LEU 64 H LEU 64 -24.804 3.840 -17.496 468 HA LEU 64 HA LEU 64 -25.303 6.678 -17.877 469 HB2 LEU 64 HB2 LEU 64 -23.368 5.620 -15.874 470 HB3 LEU 64 HB3 LEU 64 -24.447 7.009 -15.768 471 HG LEU 64 HG LEU 64 -25.383 4.146 -15.653 472 HD11 LEU 64 HD11 LEU 64 -23.858 4.735 -13.777 473 HD12 LEU 64 HD12 LEU 64 -25.507 4.366 -13.273 474 HD13 LEU 64 HD13 LEU 64 -24.963 6.042 -13.350 475 HD21 LEU 64 HD21 LEU 64 -27.441 4.978 -15.649 476 HD22 LEU 64 HD22 LEU 64 -26.753 6.550 -16.058 477 HD23 LEU 64 HD23 LEU 64 -27.033 6.122 -14.369 478 HA PRO 65 HA PRO 65 -21.637 7.590 -20.117 479 HB2 PRO 65 HB2 PRO 65 -21.090 10.086 -19.201 480 HB3 PRO 65 HB3 PRO 65 -22.432 9.738 -20.297 481 HG2 PRO 65 HG2 PRO 65 -22.460 10.117 -17.327 482 HG3 PRO 65 HG3 PRO 65 -23.588 10.740 -18.545 483 HD2 PRO 65 HD2 PRO 65 -24.141 8.570 -17.023 484 HD3 PRO 65 HD3 PRO 65 -24.734 8.746 -18.687 485 H ALA 66 H ALA 66 -19.351 8.054 -19.904 486 HA ALA 66 HA ALA 66 -18.155 6.721 -17.715 487 HB1 ALA 66 HB1 ALA 66 -16.092 8.088 -18.868 488 HB2 ALA 66 HB2 ALA 66 -16.698 6.520 -19.403 489 HB3 ALA 66 HB3 ALA 66 -17.258 7.997 -20.188 490 H LYS 67 H LYS 67 -18.827 10.078 -18.391 491 HA LYS 67 HA LYS 67 -17.089 11.193 -16.440 492 HB2 LYS 67 HB2 LYS 67 -18.191 13.258 -16.853 493 HB3 LYS 67 HB3 LYS 67 -18.126 12.413 -18.394 494 HG2 LYS 67 HG2 LYS 67 -20.517 11.572 -17.558 495 HG3 LYS 67 HG3 LYS 67 -20.448 13.119 -16.710 496 HD2 LYS 67 HD2 LYS 67 -20.037 12.723 -19.675 497 HD3 LYS 67 HD3 LYS 67 -21.515 13.320 -18.916 498 HE2 LYS 67 HE2 LYS 67 -20.151 15.187 -17.948 499 HE3 LYS 67 HE3 LYS 67 -18.803 14.634 -18.939 500 HZ1 LYS 67 HZ1 LYS 67 -19.619 15.809 -20.608 501 HZ2 LYS 67 HZ2 LYS 67 -20.946 16.289 -19.676 502 HZ3 LYS 67 HZ3 LYS 67 -21.029 14.874 -20.598 503 H ASP 68 H ASP 68 -20.301 9.855 -16.341 504 HA ASP 68 HA ASP 68 -20.747 10.833 -13.627 505 HB2 ASP 68 HB2 ASP 68 -22.491 9.274 -15.540 506 HB3 ASP 68 HB3 ASP 68 -22.967 9.666 -13.890 507 H LYS 69 H LYS 69 -18.604 8.960 -14.118 508 HA LYS 69 HA LYS 69 -19.251 7.043 -12.078 509 HB2 LYS 69 HB2 LYS 69 -18.754 5.043 -13.390 510 HB3 LYS 69 HB3 LYS 69 -20.142 5.894 -14.055 511 HG2 LYS 69 HG2 LYS 69 -18.868 6.736 -15.868 512 HG3 LYS 69 HG3 LYS 69 -17.353 6.207 -15.132 513 HD2 LYS 69 HD2 LYS 69 -17.628 4.472 -16.566 514 HD3 LYS 69 HD3 LYS 69 -18.621 3.853 -15.244 515 HE2 LYS 69 HE2 LYS 69 -19.568 5.314 -17.705 516 HE3 LYS 69 HE3 LYS 69 -19.824 3.614 -17.316 517 HZ1 LYS 69 HZ1 LYS 69 -21.038 4.444 -15.288 518 HZ2 LYS 69 HZ2 LYS 69 -21.809 4.711 -16.769 519 HZ3 LYS 69 HZ3 LYS 69 -21.008 5.982 -15.992 520 H LYS 70 H LYS 70 -17.398 5.956 -11.251 521 HA LYS 70 HA LYS 70 -14.954 7.461 -11.654 522 HB2 LYS 70 HB2 LYS 70 -16.055 6.476 -9.423 523 HB3 LYS 70 HB3 LYS 70 -15.029 5.108 -9.837 524 HG2 LYS 70 HG2 LYS 70 -14.098 7.947 -9.453 525 HG3 LYS 70 HG3 LYS 70 -13.927 6.633 -8.286 526 HD2 LYS 70 HD2 LYS 70 -11.922 6.310 -9.238 527 HD3 LYS 70 HD3 LYS 70 -12.832 5.540 -10.540 528 HE2 LYS 70 HE2 LYS 70 -12.991 7.814 -11.615 529 HE3 LYS 70 HE3 LYS 70 -11.841 8.381 -10.405 530 HZ1 LYS 70 HZ1 LYS 70 -11.377 6.257 -12.426 531 HZ2 LYS 70 HZ2 LYS 70 -10.285 6.666 -11.202 532 HZ3 LYS 70 HZ3 LYS 70 -10.675 7.796 -12.399 533 H SER 71 H SER 71 -13.607 6.905 -13.227 534 HA SER 71 HA SER 71 -12.216 5.659 -14.534 535 HB2 SER 71 HB2 SER 71 -12.553 4.068 -12.168 536 HB3 SER 71 HB3 SER 71 -12.506 3.008 -13.577 537 HG SER 71 HG SER 71 -10.419 3.276 -13.256 538 H ASP 72 H ASP 72 -14.578 3.141 -13.697 539 HA ASP 72 HA ASP 72 -15.950 3.405 -16.218 540 HB2 ASP 72 HB2 ASP 72 -15.447 0.954 -16.798 541 HB3 ASP 72 HB3 ASP 72 -14.183 2.138 -17.121 542 H MET 73 H MET 73 -16.444 3.338 -13.271 543 HA MET 73 HA MET 73 -18.764 1.603 -13.380 544 HB2 MET 73 HB2 MET 73 -18.228 0.532 -11.201 545 HB3 MET 73 HB3 MET 73 -17.134 0.063 -12.495 546 HG2 MET 73 HG2 MET 73 -15.808 2.174 -11.446 547 HG3 MET 73 HG3 MET 73 -16.611 1.534 -10.014 548 HE1 MET 73 HE1 MET 73 -16.561 -1.682 -11.502 549 HE2 MET 73 HE2 MET 73 -15.402 -2.267 -10.309 550 HE3 MET 73 HE3 MET 73 -16.733 -1.223 -9.807 551 H SER 74 H SER 74 -20.377 2.153 -11.878 552 HA SER 74 HA SER 74 -20.495 4.877 -11.178 553 HB2 SER 74 HB2 SER 74 -22.500 3.514 -11.625 554 HB3 SER 74 HB3 SER 74 -22.195 2.589 -10.155 555 HG SER 74 HG SER 74 -22.914 4.199 -8.977 556 H ILE 75 H ILE 75 -20.232 5.950 -9.264 557 HA ILE 75 HA ILE 75 -18.298 5.165 -7.476 558 HB ILE 75 HB ILE 75 -20.612 7.041 -6.986 559 HG12 ILE 75 HG12 ILE 75 -18.400 8.588 -7.228 560 HG13 ILE 75 HG13 ILE 75 -17.973 7.262 -8.304 561 HG21 ILE 75 HG21 ILE 75 -18.727 7.943 -5.325 562 HG22 ILE 75 HG22 ILE 75 -19.950 6.771 -4.836 563 HG23 ILE 75 HG23 ILE 75 -18.335 6.224 -5.284 564 HD11 ILE 75 HD11 ILE 75 -19.852 9.430 -8.680 565 HD12 ILE 75 HD12 ILE 75 -19.111 8.353 -9.864 566 HD13 ILE 75 HD13 ILE 75 -20.570 7.853 -9.008 567 H ALA 76 H ALA 76 -21.743 4.512 -7.389 568 HA ALA 76 HA ALA 76 -21.852 3.545 -4.727 569 HB1 ALA 76 HB1 ALA 76 -24.026 3.560 -5.160 570 HB2 ALA 76 HB2 ALA 76 -23.673 3.961 -6.841 571 HB3 ALA 76 HB3 ALA 76 -23.825 2.274 -6.350 572 H HIS 77 H HIS 77 -21.306 1.986 -7.852 573 HA HIS 77 HA HIS 77 -21.239 -0.663 -6.753 574 HB2 HIS 77 HB2 HIS 77 -20.208 0.294 -9.430 575 HB3 HIS 77 HB3 HIS 77 -20.572 -1.369 -8.977 576 HD1 HIS 77 HD1 HIS 77 -21.909 0.311 -11.348 577 HD2 HIS 77 HD2 HIS 77 -23.581 -0.513 -7.635 578 HE1 HIS 77 HE1 HIS 77 -24.396 0.489 -11.677 579 H TYR 78 H TYR 78 -18.862 1.782 -7.620 580 HA TYR 78 HA TYR 78 -16.538 0.264 -7.495 581 HB2 TYR 78 HB2 TYR 78 -16.799 2.701 -8.197 582 HB3 TYR 78 HB3 TYR 78 -16.739 3.099 -6.483 583 HD1 TYR 78 HD1 TYR 78 -14.669 2.042 -5.197 584 HD2 TYR 78 HD2 TYR 78 -14.825 2.742 -9.391 585 HE1 TYR 78 HE1 TYR 78 -12.211 2.050 -5.281 586 HE2 TYR 78 HE2 TYR 78 -12.367 2.751 -9.487 587 HH TYR 78 HH TYR 78 -10.453 3.309 -7.540 588 H ASN 79 H ASN 79 -18.465 1.676 -4.917 589 HA ASN 79 HA ASN 79 -16.634 1.286 -2.811 590 HB2 ASN 79 HB2 ASN 79 -19.599 1.684 -2.975 591 HB3 ASN 79 HB3 ASN 79 -18.872 1.229 -1.437 592 HD21 ASN 79 HD21 ASN 79 -20.216 3.699 -2.268 593 HD22 ASN 79 HD22 ASN 79 -19.086 4.970 -1.968 594 H ALA 80 H ALA 80 -18.986 -0.820 -4.331 595 HA ALA 80 HA ALA 80 -18.904 -2.871 -2.359 596 HB1 ALA 80 HB1 ALA 80 -20.730 -3.359 -3.540 597 HB2 ALA 80 HB2 ALA 80 -20.167 -2.446 -4.941 598 HB3 ALA 80 HB3 ALA 80 -19.643 -4.113 -4.707 599 H VAL 81 H VAL 81 -17.411 -2.583 -5.584 600 HA VAL 81 HA VAL 81 -15.928 -4.976 -5.423 601 HB VAL 81 HB VAL 81 -16.383 -3.819 -7.551 602 HG11 VAL 81 HG11 VAL 81 -15.140 -1.851 -8.199 603 HG12 VAL 81 HG12 VAL 81 -16.040 -1.519 -6.718 604 HG13 VAL 81 HG13 VAL 81 -14.305 -1.830 -6.646 605 HG21 VAL 81 HG21 VAL 81 -14.211 -4.197 -8.570 606 HG22 VAL 81 HG22 VAL 81 -13.434 -4.134 -6.988 607 HG23 VAL 81 HG23 VAL 81 -14.547 -5.448 -7.372 608 H HIS 82 H HIS 82 -15.205 -1.659 -4.489 609 HA HIS 82 HA HIS 82 -12.447 -2.068 -3.963 610 HB2 HIS 82 HB2 HIS 82 -13.567 0.161 -4.321 611 HB3 HIS 82 HB3 HIS 82 -14.243 0.010 -2.701 612 HD1 HIS 82 HD1 HIS 82 -10.692 -0.842 -3.696 613 HD2 HIS 82 HD2 HIS 82 -12.783 1.943 -1.430 614 HE1 HIS 82 HE1 HIS 82 -8.939 0.488 -2.478 615 H SER 83 H SER 83 -15.366 -2.448 -2.062 616 HA SER 83 HA SER 83 -14.216 -2.623 0.487 617 HB2 SER 83 HB2 SER 83 -16.786 -3.332 -0.750 618 HB3 SER 83 HB3 SER 83 -16.359 -4.332 0.638 619 HG SER 83 HG SER 83 -16.811 -2.708 1.875 620 H ALA 84 H ALA 84 -14.745 -5.074 -2.000 621 HA ALA 84 HA ALA 84 -13.874 -7.270 -0.409 622 HB1 ALA 84 HB1 ALA 84 -14.304 -6.894 -3.355 623 HB2 ALA 84 HB2 ALA 84 -13.662 -8.397 -2.691 624 HB3 ALA 84 HB3 ALA 84 -15.262 -7.832 -2.209 625 H ALA 85 H ALA 85 -12.306 -5.285 -2.904 626 HA ALA 85 HA ALA 85 -9.861 -6.603 -3.019 627 HB1 ALA 85 HB1 ALA 85 -9.017 -4.718 -4.116 628 HB2 ALA 85 HB2 ALA 85 -10.743 -4.698 -4.481 629 HB3 ALA 85 HB3 ALA 85 -10.090 -3.620 -3.248 630 H LYS 86 H LYS 86 -11.045 -4.218 -0.723 631 HA LYS 86 HA LYS 86 -8.585 -3.668 0.547 632 HB2 LYS 86 HB2 LYS 86 -10.993 -2.548 0.716 633 HB3 LYS 86 HB3 LYS 86 -11.120 -3.607 2.114 634 HG2 LYS 86 HG2 LYS 86 -8.623 -2.086 1.981 635 HG3 LYS 86 HG3 LYS 86 -10.078 -1.099 2.142 636 HD2 LYS 86 HD2 LYS 86 -9.743 -3.492 3.893 637 HD3 LYS 86 HD3 LYS 86 -8.837 -2.023 4.264 638 HE2 LYS 86 HE2 LYS 86 -11.564 -1.363 3.670 639 HE3 LYS 86 HE3 LYS 86 -11.511 -2.619 4.907 640 HZ1 LYS 86 HZ1 LYS 86 -11.415 -0.175 5.629 641 HZ2 LYS 86 HZ2 LYS 86 -9.801 -0.226 5.126 642 HZ3 LYS 86 HZ3 LYS 86 -10.339 -1.264 6.349 643 H THR 87 H THR 87 -11.014 -6.163 1.024 644 HA THR 87 HA THR 87 -9.898 -7.169 3.454 645 HB THR 87 HB THR 87 -11.623 -8.785 1.592 646 HG1 THR 87 HG1 THR 87 -12.376 -6.637 3.297 647 HG21 THR 87 HG21 THR 87 -10.593 -9.695 3.758 648 HG22 THR 87 HG22 THR 87 -12.330 -9.905 3.532 649 HG23 THR 87 HG23 THR 87 -11.726 -8.632 4.592 650 H MET 88 H MET 88 -9.513 -7.905 0.039 651 HA MET 88 HA MET 88 -7.907 -10.250 0.537 652 HB2 MET 88 HB2 MET 88 -8.581 -8.717 -1.973 653 HB3 MET 88 HB3 MET 88 -7.524 -10.122 -1.965 654 HG2 MET 88 HG2 MET 88 -9.312 -11.517 -1.152 655 HG3 MET 88 HG3 MET 88 -10.376 -10.119 -1.007 656 HE1 MET 88 HE1 MET 88 -12.003 -9.778 -4.294 657 HE2 MET 88 HE2 MET 88 -12.173 -9.868 -2.541 658 HE3 MET 88 HE3 MET 88 -11.129 -8.644 -3.265 659 H GLY 89 H GLY 89 -7.390 -6.865 0.211 660 HA2 GLY 89 HA2 GLY 89 -5.466 -5.631 0.519 661 HA3 GLY 89 HA3 GLY 89 -4.617 -7.133 0.854 662 H ILE 90 H ILE 90 -6.399 -6.645 -2.106 663 HA ILE 90 HA ILE 90 -3.904 -6.908 -3.599 664 HB ILE 90 HB ILE 90 -6.736 -6.959 -4.646 665 HG12 ILE 90 HG12 ILE 90 -4.908 -9.295 -4.055 666 HG13 ILE 90 HG13 ILE 90 -6.219 -8.777 -3.001 667 HG21 ILE 90 HG21 ILE 90 -5.252 -8.380 -6.400 668 HG22 ILE 90 HG22 ILE 90 -5.612 -6.663 -6.573 669 HG23 ILE 90 HG23 ILE 90 -4.074 -7.175 -5.879 670 HD11 ILE 90 HD11 ILE 90 -6.291 -10.413 -5.378 671 HD12 ILE 90 HD12 ILE 90 -7.509 -10.185 -4.123 672 HD13 ILE 90 HD13 ILE 90 -7.417 -9.060 -5.477 673 H ASP 91 H ASP 91 -3.162 -5.425 -5.067 674 HA ASP 91 HA ASP 91 -4.434 -2.776 -4.948 675 HB2 ASP 91 HB2 ASP 91 -1.585 -3.618 -5.480 676 HB3 ASP 91 HB3 ASP 91 -2.162 -1.980 -5.769 677 H THR 92 H THR 92 -2.628 -4.835 -7.232 678 HA THR 92 HA THR 92 -4.204 -3.628 -9.412 679 HB THR 92 HB THR 92 -2.340 -4.169 -10.927 680 HG1 THR 92 HG1 THR 92 -0.847 -4.804 -8.589 681 HG21 THR 92 HG21 THR 92 -2.514 -2.047 -9.273 682 HG22 THR 92 HG22 THR 92 -1.240 -2.240 -10.477 683 HG23 THR 92 HG23 THR 92 -0.939 -2.679 -8.796 684 H TRP 93 H TRP 93 -5.839 -5.052 -9.698 685 HA TRP 93 HA TRP 93 -5.104 -7.872 -10.143 686 HB2 TRP 93 HB2 TRP 93 -7.249 -8.540 -9.337 687 HB3 TRP 93 HB3 TRP 93 -6.605 -7.390 -8.168 688 HD1 TRP 93 HD1 TRP 93 -9.312 -7.715 -10.866 689 HE1 TRP 93 HE1 TRP 93 -11.057 -5.859 -10.499 690 HE3 TRP 93 HE3 TRP 93 -6.936 -5.083 -7.182 691 HZ2 TRP 93 HZ2 TRP 93 -11.384 -3.581 -8.864 692 HZ3 TRP 93 HZ3 TRP 93 -8.033 -3.077 -6.271 693 HH2 TRP 93 HH2 TRP 93 -10.210 -2.343 -7.097 Start of MODEL 18 1 H1 GLY 1 H GLY 1 1.272 5.355 -6.835 2 HA2 GLY 1 HA2 GLY 1 2.300 6.112 -4.176 3 HA3 GLY 1 HA3 GLY 1 0.707 5.435 -4.483 4 H ALA 2 H ALA 2 0.652 3.183 -5.303 5 HA ALA 2 HA ALA 2 2.930 1.501 -5.035 6 HB1 ALA 2 HB1 ALA 2 1.496 0.287 -3.043 7 HB2 ALA 2 HB2 ALA 2 2.924 1.296 -2.808 8 HB3 ALA 2 HB3 ALA 2 1.314 1.998 -2.655 9 H MET 3 H MET 3 2.582 -0.469 -5.958 10 HA MET 3 HA MET 3 -0.160 -1.359 -6.423 11 HB2 MET 3 HB2 MET 3 0.429 -1.812 -8.841 12 HB3 MET 3 HB3 MET 3 0.209 -0.120 -8.414 13 HG2 MET 3 HG2 MET 3 2.947 -0.794 -8.054 14 HG3 MET 3 HG3 MET 3 2.431 -1.356 -9.642 15 HE1 MET 3 HE1 MET 3 3.819 0.580 -11.279 16 HE2 MET 3 HE2 MET 3 4.349 1.960 -10.317 17 HE3 MET 3 HE3 MET 3 4.597 0.320 -9.717 18 H ALA 4 H ALA 4 0.029 -3.213 -5.277 19 HA ALA 4 HA ALA 4 1.346 -5.425 -6.433 20 HB1 ALA 4 HB1 ALA 4 3.410 -4.754 -5.650 21 HB2 ALA 4 HB2 ALA 4 2.742 -4.056 -4.174 22 HB3 ALA 4 HB3 ALA 4 2.854 -5.807 -4.350 23 H ASN 5 H ASN 5 0.504 -7.308 -5.679 24 HA ASN 5 HA ASN 5 -1.333 -7.097 -3.388 25 HB2 ASN 5 HB2 ASN 5 -2.170 -9.343 -4.619 26 HB3 ASN 5 HB3 ASN 5 -2.785 -7.742 -5.018 27 HD21 ASN 5 HD21 ASN 5 -1.926 -6.665 -6.858 28 HD22 ASN 5 HD22 ASN 5 -1.237 -7.568 -8.159 29 HA PRO 6 HA PRO 6 0.846 -10.157 -1.122 30 HB2 PRO 6 HB2 PRO 6 -1.159 -11.624 -0.028 31 HB3 PRO 6 HB3 PRO 6 -0.774 -9.981 0.498 32 HG2 PRO 6 HG2 PRO 6 -2.923 -10.919 -1.364 33 HG3 PRO 6 HG3 PRO 6 -3.013 -9.710 -0.069 34 HD2 PRO 6 HD2 PRO 6 -2.775 -9.034 -2.680 35 HD3 PRO 6 HD3 PRO 6 -2.071 -8.060 -1.374 36 H LYS 7 H LYS 7 1.043 -12.565 -0.753 37 HA LYS 7 HA LYS 7 0.874 -13.906 -3.327 38 HB2 LYS 7 HB2 LYS 7 2.501 -14.163 -0.900 39 HB3 LYS 7 HB3 LYS 7 2.025 -15.705 -1.598 40 HG2 LYS 7 HG2 LYS 7 2.848 -14.457 -3.818 41 HG3 LYS 7 HG3 LYS 7 3.863 -13.642 -2.627 42 HD2 LYS 7 HD2 LYS 7 4.324 -16.070 -1.783 43 HD3 LYS 7 HD3 LYS 7 3.783 -16.528 -3.400 44 HE2 LYS 7 HE2 LYS 7 5.564 -15.490 -4.433 45 HE3 LYS 7 HE3 LYS 7 5.829 -14.377 -3.091 46 HZ1 LYS 7 HZ1 LYS 7 6.303 -16.771 -1.957 47 HZ2 LYS 7 HZ2 LYS 7 7.497 -15.751 -2.584 48 HZ3 LYS 7 HZ3 LYS 7 6.892 -17.022 -3.523 49 H THR 8 H THR 8 -0.424 -14.183 -0.074 50 HA THR 8 HA THR 8 -2.352 -16.158 -1.083 51 HB THR 8 HB THR 8 -2.275 -17.293 1.154 52 HG1 THR 8 HG1 THR 8 -0.319 -16.913 2.370 53 HG21 THR 8 HG21 THR 8 -0.487 -18.713 0.582 54 HG22 THR 8 HG22 THR 8 0.412 -17.408 -0.191 55 HG23 THR 8 HG23 THR 8 -1.042 -18.049 -0.954 56 H ILE 9 H ILE 9 -4.423 -15.837 -0.461 57 HA ILE 9 HA ILE 9 -4.923 -13.641 1.441 58 HB ILE 9 HB ILE 9 -7.128 -13.388 0.216 59 HG12 ILE 9 HG12 ILE 9 -5.982 -14.483 -2.250 60 HG13 ILE 9 HG13 ILE 9 -6.346 -15.711 -1.043 61 HG21 ILE 9 HG21 ILE 9 -4.642 -12.820 -1.391 62 HG22 ILE 9 HG22 ILE 9 -6.183 -11.969 -1.488 63 HG23 ILE 9 HG23 ILE 9 -5.202 -11.854 -0.027 64 HD11 ILE 9 HD11 ILE 9 -8.145 -15.103 -2.760 65 HD12 ILE 9 HD12 ILE 9 -8.616 -15.230 -1.065 66 HD13 ILE 9 HD13 ILE 9 -8.371 -13.644 -1.797 67 H LYS 10 H LYS 10 -5.970 -14.157 3.239 68 HA LYS 10 HA LYS 10 -6.689 -16.717 3.981 69 HB2 LYS 10 HB2 LYS 10 -6.849 -14.110 5.107 70 HB3 LYS 10 HB3 LYS 10 -8.412 -14.883 5.335 71 HG2 LYS 10 HG2 LYS 10 -7.449 -15.692 7.191 72 HG3 LYS 10 HG3 LYS 10 -6.773 -16.888 6.082 73 HD2 LYS 10 HD2 LYS 10 -4.830 -16.226 7.043 74 HD3 LYS 10 HD3 LYS 10 -4.932 -14.959 5.818 75 HE2 LYS 10 HE2 LYS 10 -6.404 -13.870 7.818 76 HE3 LYS 10 HE3 LYS 10 -5.226 -14.802 8.740 77 HZ1 LYS 10 HZ1 LYS 10 -4.129 -13.243 6.561 78 HZ2 LYS 10 HZ2 LYS 10 -3.561 -13.446 8.141 79 HZ3 LYS 10 HZ3 LYS 10 -4.793 -12.331 7.822 80 H ALA 11 H ALA 11 -8.389 -18.010 3.645 81 HA ALA 11 HA ALA 11 -10.235 -17.610 1.636 82 HB1 ALA 11 HB1 ALA 11 -10.849 -19.318 4.027 83 HB2 ALA 11 HB2 ALA 11 -11.292 -19.578 2.340 84 HB3 ALA 11 HB3 ALA 11 -9.615 -19.770 2.851 85 H ALA 12 H ALA 12 -10.493 -16.823 5.060 86 HA ALA 12 HA ALA 12 -13.205 -16.265 5.240 87 HB1 ALA 12 HB1 ALA 12 -12.436 -16.024 7.320 88 HB2 ALA 12 HB2 ALA 12 -10.812 -15.617 6.762 89 HB3 ALA 12 HB3 ALA 12 -12.050 -14.365 6.863 90 H ALA 13 H ALA 13 -10.561 -14.225 4.084 91 HA ALA 13 HA ALA 13 -12.043 -11.843 3.808 92 HB1 ALA 13 HB1 ALA 13 -9.606 -12.745 2.277 93 HB2 ALA 13 HB2 ALA 13 -10.223 -11.095 2.361 94 HB3 ALA 13 HB3 ALA 13 -9.604 -11.879 3.814 95 H TYR 14 H TYR 14 -11.565 -14.603 1.684 96 HA TYR 14 HA TYR 14 -12.581 -13.496 -0.683 97 HB2 TYR 14 HB2 TYR 14 -11.366 -15.733 -0.338 98 HB3 TYR 14 HB3 TYR 14 -12.942 -16.383 0.098 99 HD1 TYR 14 HD1 TYR 14 -14.301 -17.254 -1.566 100 HD2 TYR 14 HD2 TYR 14 -11.257 -14.481 -2.635 101 HE1 TYR 14 HE1 TYR 14 -14.813 -17.618 -3.944 102 HE2 TYR 14 HE2 TYR 14 -11.761 -14.836 -5.016 103 HH TYR 14 HH TYR 14 -12.958 -15.983 -6.493 104 H ASN 15 H ASN 15 -14.213 -15.348 1.877 105 HA ASN 15 HA ASN 15 -16.770 -15.351 0.741 106 HB2 ASN 15 HB2 ASN 15 -15.811 -15.538 3.593 107 HB3 ASN 15 HB3 ASN 15 -17.522 -15.612 3.183 108 HD21 ASN 15 HD21 ASN 15 -14.401 -17.121 2.555 109 HD22 ASN 15 HD22 ASN 15 -15.027 -18.697 2.226 110 H GLN 16 H GLN 16 -15.086 -12.945 2.654 111 HA GLN 16 HA GLN 16 -17.376 -11.309 3.134 112 HB2 GLN 16 HB2 GLN 16 -14.414 -10.751 3.311 113 HB3 GLN 16 HB3 GLN 16 -15.649 -9.581 3.757 114 HG2 GLN 16 HG2 GLN 16 -15.716 -12.286 4.993 115 HG3 GLN 16 HG3 GLN 16 -14.524 -11.114 5.553 116 HE21 GLN 16 HE21 GLN 16 -17.961 -11.684 5.103 117 HE22 GLN 16 HE22 GLN 16 -18.493 -10.581 6.321 118 H ALA 17 H ALA 17 -14.898 -11.460 0.655 119 HA ALA 17 HA ALA 17 -15.389 -8.980 -0.575 120 HB1 ALA 17 HB1 ALA 17 -14.199 -11.556 -1.541 121 HB2 ALA 17 HB2 ALA 17 -14.423 -10.187 -2.630 122 HB3 ALA 17 HB3 ALA 17 -13.401 -10.020 -1.202 123 H ARG 18 H ARG 18 -16.653 -12.224 -1.330 124 HA ARG 18 HA ARG 18 -18.359 -11.318 -3.417 125 HB2 ARG 18 HB2 ARG 18 -19.433 -13.594 -3.117 126 HB3 ARG 18 HB3 ARG 18 -17.712 -13.598 -3.480 127 HG2 ARG 18 HG2 ARG 18 -17.129 -14.277 -1.350 128 HG3 ARG 18 HG3 ARG 18 -18.644 -13.709 -0.645 129 HD2 ARG 18 HD2 ARG 18 -18.311 -16.075 -2.485 130 HD3 ARG 18 HD3 ARG 18 -18.582 -16.144 -0.745 131 HE ARG 18 HE ARG 18 -20.551 -15.753 -2.773 132 HH11 ARG 18 HH11 ARG 18 -19.725 -14.989 0.522 133 HH12 ARG 18 HH12 ARG 18 -21.369 -14.762 1.018 134 HH21 ARG 18 HH21 ARG 18 -22.719 -15.457 -2.131 135 HH22 ARG 18 HH22 ARG 18 -23.072 -15.030 -0.491 136 H SER 19 H SER 19 -18.744 -11.782 0.036 137 HA SER 19 HA SER 19 -21.523 -11.722 0.229 138 HB2 SER 19 HB2 SER 19 -20.773 -12.140 2.317 139 HB3 SER 19 HB3 SER 19 -19.254 -11.289 2.036 140 HG SER 19 HG SER 19 -21.537 -10.423 3.248 141 H THR 20 H THR 20 -19.206 -9.027 0.332 142 HA THR 20 HA THR 20 -21.021 -6.951 0.707 143 HB THR 20 HB THR 20 -18.459 -6.835 -0.896 144 HG1 THR 20 HG1 THR 20 -17.953 -7.557 1.144 145 HG21 THR 20 HG21 THR 20 -19.080 -4.476 0.618 146 HG22 THR 20 HG22 THR 20 -20.430 -4.879 -0.443 147 HG23 THR 20 HG23 THR 20 -18.817 -4.647 -1.117 148 H LEU 21 H LEU 21 -20.014 -8.589 -2.245 149 HA LEU 21 HA LEU 21 -21.327 -6.794 -4.026 150 HB2 LEU 21 HB2 LEU 21 -20.642 -9.671 -4.572 151 HB3 LEU 21 HB3 LEU 21 -20.825 -8.363 -5.738 152 HG LEU 21 HG LEU 21 -18.653 -8.267 -3.677 153 HD11 LEU 21 HD11 LEU 21 -17.509 -9.934 -4.581 154 HD12 LEU 21 HD12 LEU 21 -17.687 -9.234 -6.189 155 HD13 LEU 21 HD13 LEU 21 -18.918 -10.332 -5.565 156 HD21 LEU 21 HD21 LEU 21 -19.011 -6.244 -4.899 157 HD22 LEU 21 HD22 LEU 21 -19.043 -7.113 -6.434 158 HD23 LEU 21 HD23 LEU 21 -17.541 -6.999 -5.516 159 H ALA 22 H ALA 22 -22.293 -9.632 -2.247 160 HA ALA 22 HA ALA 22 -24.547 -10.439 -3.637 161 HB1 ALA 22 HB1 ALA 22 -24.424 -10.360 -0.635 162 HB2 ALA 22 HB2 ALA 22 -25.250 -11.526 -1.670 163 HB3 ALA 22 HB3 ALA 22 -23.488 -11.507 -1.593 164 H ASP 23 H ASP 23 -24.027 -7.563 -1.805 165 HA ASP 23 HA ASP 23 -26.621 -6.876 -1.064 166 HB2 ASP 23 HB2 ASP 23 -24.167 -5.286 -1.724 167 HB3 ASP 23 HB3 ASP 23 -25.693 -4.454 -1.440 168 H ALA 24 H ALA 24 -24.987 -6.600 -4.158 169 HA ALA 24 HA ALA 24 -27.475 -5.537 -5.329 170 HB1 ALA 24 HB1 ALA 24 -24.685 -4.813 -5.704 171 HB2 ALA 24 HB2 ALA 24 -25.515 -5.141 -7.225 172 HB3 ALA 24 HB3 ALA 24 -26.151 -3.925 -6.118 173 H GLY 25 H GLY 25 -25.084 -8.056 -5.427 174 HA2 GLY 25 HA2 GLY 25 -26.118 -10.191 -6.304 175 HA3 GLY 25 HA3 GLY 25 -26.461 -9.253 -7.749 176 H SER 26 H SER 26 -24.855 -11.689 -7.418 177 HA SER 26 HA SER 26 -22.304 -10.647 -8.462 178 HB2 SER 26 HB2 SER 26 -22.677 -12.246 -6.175 179 HB3 SER 26 HB3 SER 26 -22.035 -13.324 -7.414 180 HG SER 26 HG SER 26 -20.669 -11.668 -5.959 181 H ARG 27 H ARG 27 -21.851 -11.243 -10.473 182 HA ARG 27 HA ARG 27 -23.586 -13.047 -11.881 183 HB2 ARG 27 HB2 ARG 27 -21.961 -10.910 -12.593 184 HB3 ARG 27 HB3 ARG 27 -21.149 -12.305 -13.290 185 HG2 ARG 27 HG2 ARG 27 -22.656 -11.348 -14.903 186 HG3 ARG 27 HG3 ARG 27 -23.248 -12.936 -14.410 187 HD2 ARG 27 HD2 ARG 27 -25.039 -12.068 -13.274 188 HD3 ARG 27 HD3 ARG 27 -24.222 -10.542 -12.938 189 HE ARG 27 HE ARG 27 -25.052 -9.707 -14.901 190 HH11 ARG 27 HH11 ARG 27 -25.363 -13.175 -14.913 191 HH12 ARG 27 HH12 ARG 27 -26.307 -13.215 -16.366 192 HH21 ARG 27 HH21 ARG 27 -26.294 -9.748 -16.814 193 HH22 ARG 27 HH22 ARG 27 -26.835 -11.265 -17.447 194 H THR 28 H THR 28 -20.077 -13.016 -11.239 195 HA THR 28 HA THR 28 -19.758 -15.727 -12.127 196 HB THR 28 HB THR 28 -17.457 -15.501 -11.637 197 HG1 THR 28 HG1 THR 28 -17.058 -14.654 -9.733 198 HG21 THR 28 HG21 THR 28 -17.953 -12.629 -12.193 199 HG22 THR 28 HG22 THR 28 -18.649 -13.798 -13.315 200 HG23 THR 28 HG23 THR 28 -16.909 -13.780 -13.026 201 H ALA 29 H ALA 29 -19.690 -14.089 -8.975 202 HA ALA 29 HA ALA 29 -19.108 -16.304 -7.385 203 HB1 ALA 29 HB1 ALA 29 -20.980 -14.426 -6.160 204 HB2 ALA 29 HB2 ALA 29 -19.342 -14.873 -5.681 205 HB3 ALA 29 HB3 ALA 29 -19.593 -13.649 -6.926 206 H ALA 30 H ALA 30 -22.080 -15.323 -8.908 207 HA ALA 30 HA ALA 30 -23.948 -16.719 -7.386 208 HB1 ALA 30 HB1 ALA 30 -23.838 -15.733 -10.181 209 HB2 ALA 30 HB2 ALA 30 -25.097 -16.899 -9.771 210 HB3 ALA 30 HB3 ALA 30 -24.990 -15.372 -8.895 211 H LYS 31 H LYS 31 -21.772 -17.834 -9.909 212 HA LYS 31 HA LYS 31 -22.879 -20.542 -9.698 213 HB2 LYS 31 HB2 LYS 31 -22.658 -19.734 -11.965 214 HB3 LYS 31 HB3 LYS 31 -20.975 -19.305 -11.693 215 HG2 LYS 31 HG2 LYS 31 -21.541 -22.108 -11.144 216 HG3 LYS 31 HG3 LYS 31 -21.882 -21.636 -12.811 217 HD2 LYS 31 HD2 LYS 31 -19.640 -20.784 -13.074 218 HD3 LYS 31 HD3 LYS 31 -19.289 -21.082 -11.370 219 HE2 LYS 31 HE2 LYS 31 -18.639 -23.148 -11.858 220 HE3 LYS 31 HE3 LYS 31 -20.235 -23.503 -12.517 221 HZ1 LYS 31 HZ1 LYS 31 -18.627 -21.960 -14.311 222 HZ2 LYS 31 HZ2 LYS 31 -19.460 -23.406 -14.584 223 HZ3 LYS 31 HZ3 LYS 31 -17.904 -23.440 -13.921 224 H SER 32 H SER 32 -20.099 -18.624 -8.928 225 HA SER 32 HA SER 32 -18.619 -21.026 -8.103 226 HB2 SER 32 HB2 SER 32 -16.661 -19.442 -7.938 227 HB3 SER 32 HB3 SER 32 -17.308 -19.646 -9.565 228 HG SER 32 HG SER 32 -17.082 -17.404 -8.112 229 H HIS 33 H HIS 33 -18.763 -21.556 -6.036 230 HA HIS 33 HA HIS 33 -19.658 -19.626 -4.070 231 HB2 HIS 33 HB2 HIS 33 -19.307 -22.579 -4.166 232 HB3 HIS 33 HB3 HIS 33 -19.214 -21.807 -2.586 233 HD1 HIS 33 HD1 HIS 33 -21.418 -22.741 -1.723 234 HD2 HIS 33 HD2 HIS 33 -21.809 -20.608 -5.267 235 HE1 HIS 33 HE1 HIS 33 -23.892 -22.430 -2.051 236 HA PRO 34 HA PRO 34 -15.796 -18.594 -2.267 237 HB2 PRO 34 HB2 PRO 34 -16.372 -18.573 0.386 238 HB3 PRO 34 HB3 PRO 34 -16.954 -17.335 -0.733 239 HG2 PRO 34 HG2 PRO 34 -18.384 -19.731 0.350 240 HG3 PRO 34 HG3 PRO 34 -18.978 -18.074 0.142 241 HD2 PRO 34 HD2 PRO 34 -19.564 -20.061 -1.601 242 HD3 PRO 34 HD3 PRO 34 -19.387 -18.369 -2.108 243 H ILE 35 H ILE 35 -14.518 -19.275 -0.034 244 HA ILE 35 HA ILE 35 -14.331 -22.215 -0.089 245 HB ILE 35 HB ILE 35 -11.952 -20.412 0.297 246 HG12 ILE 35 HG12 ILE 35 -11.729 -21.594 -2.219 247 HG13 ILE 35 HG13 ILE 35 -13.393 -21.024 -2.152 248 HG21 ILE 35 HG21 ILE 35 -11.401 -22.510 1.097 249 HG22 ILE 35 HG22 ILE 35 -12.388 -23.340 -0.105 250 HG23 ILE 35 HG23 ILE 35 -10.859 -22.599 -0.579 251 HD11 ILE 35 HD11 ILE 35 -12.631 -19.032 -2.735 252 HD12 ILE 35 HD12 ILE 35 -11.875 -18.924 -1.145 253 HD13 ILE 35 HD13 ILE 35 -10.958 -19.543 -2.518 254 H HIS 36 H HIS 36 -14.277 -23.221 1.833 255 HA HIS 36 HA HIS 36 -13.717 -21.644 4.243 256 HB2 HIS 36 HB2 HIS 36 -16.289 -22.452 3.484 257 HB3 HIS 36 HB3 HIS 36 -15.802 -23.592 4.736 258 HD1 HIS 36 HD1 HIS 36 -16.572 -19.973 4.178 259 HD2 HIS 36 HD2 HIS 36 -15.578 -22.521 7.305 260 HE1 HIS 36 HE1 HIS 36 -16.989 -18.654 6.279 261 H GLY 37 H GLY 37 -13.388 -23.064 6.183 262 HA2 GLY 37 HA2 GLY 37 -12.123 -24.701 7.183 263 HA3 GLY 37 HA3 GLY 37 -12.987 -25.798 6.116 264 H LYS 38 H LYS 38 -10.842 -23.247 5.014 265 HA LYS 38 HA LYS 38 -8.864 -25.290 4.250 266 HB2 LYS 38 HB2 LYS 38 -10.155 -23.177 2.560 267 HB3 LYS 38 HB3 LYS 38 -8.518 -23.705 2.194 268 HG2 LYS 38 HG2 LYS 38 -9.678 -26.094 2.370 269 HG3 LYS 38 HG3 LYS 38 -11.088 -25.139 1.904 270 HD2 LYS 38 HD2 LYS 38 -10.389 -25.304 -0.205 271 HD3 LYS 38 HD3 LYS 38 -9.037 -24.257 0.234 272 HE2 LYS 38 HE2 LYS 38 -7.976 -26.503 1.071 273 HE3 LYS 38 HE3 LYS 38 -9.135 -27.228 -0.042 274 HZ1 LYS 38 HZ1 LYS 38 -6.965 -26.813 -1.071 275 HZ2 LYS 38 HZ2 LYS 38 -7.142 -25.155 -0.784 276 HZ3 LYS 38 HZ3 LYS 38 -8.202 -25.949 -1.837 277 H THR 39 H THR 39 -6.708 -24.639 4.227 278 HA THR 39 HA THR 39 -5.872 -22.854 6.164 279 HB THR 39 HB THR 39 -3.868 -22.957 4.115 280 HG1 THR 39 HG1 THR 39 -3.784 -25.235 3.869 281 HG21 THR 39 HG21 THR 39 -2.564 -23.681 5.832 282 HG22 THR 39 HG22 THR 39 -3.783 -24.806 6.429 283 HG23 THR 39 HG23 THR 39 -3.919 -23.085 6.790 284 H ASP 40 H ASP 40 -5.520 -22.320 2.651 285 HA ASP 40 HA ASP 40 -6.612 -19.749 2.612 286 HB2 ASP 40 HB2 ASP 40 -4.442 -18.456 2.316 287 HB3 ASP 40 HB3 ASP 40 -4.831 -18.950 3.961 288 H VAL 41 H VAL 41 -6.394 -18.704 0.552 289 HA VAL 41 HA VAL 41 -5.422 -20.532 -1.546 290 HB VAL 41 HB VAL 41 -7.069 -19.246 -3.025 291 HG11 VAL 41 HG11 VAL 41 -7.482 -21.410 -1.152 292 HG12 VAL 41 HG12 VAL 41 -8.989 -20.567 -1.514 293 HG13 VAL 41 HG13 VAL 41 -8.021 -21.248 -2.822 294 HG21 VAL 41 HG21 VAL 41 -8.174 -18.494 -0.320 295 HG22 VAL 41 HG22 VAL 41 -7.470 -17.384 -1.496 296 HG23 VAL 41 HG23 VAL 41 -8.972 -18.230 -1.871 297 HA PRO 42 HA PRO 42 -2.646 -17.475 -3.036 298 HB2 PRO 42 HB2 PRO 42 -2.739 -17.920 -5.712 299 HB3 PRO 42 HB3 PRO 42 -1.948 -19.025 -4.581 300 HG2 PRO 42 HG2 PRO 42 -4.667 -19.208 -5.820 301 HG3 PRO 42 HG3 PRO 42 -3.458 -20.483 -5.584 302 HD2 PRO 42 HD2 PRO 42 -5.591 -20.177 -3.945 303 HD3 PRO 42 HD3 PRO 42 -4.025 -20.785 -3.371 304 H VAL 43 H VAL 43 -2.483 -15.482 -4.166 305 HA VAL 43 HA VAL 43 -4.675 -13.813 -4.073 306 HB VAL 43 HB VAL 43 -2.464 -12.883 -4.176 307 HG11 VAL 43 HG11 VAL 43 -1.033 -13.013 -6.093 308 HG12 VAL 43 HG12 VAL 43 -1.517 -14.652 -5.656 309 HG13 VAL 43 HG13 VAL 43 -2.278 -13.843 -7.027 310 HG21 VAL 43 HG21 VAL 43 -2.995 -11.016 -5.358 311 HG22 VAL 43 HG22 VAL 43 -3.502 -11.925 -6.782 312 HG23 VAL 43 HG23 VAL 43 -4.575 -11.799 -5.388 313 H SER 44 H SER 44 -3.611 -15.900 -6.668 314 HA SER 44 HA SER 44 -5.013 -14.827 -8.813 315 HB2 SER 44 HB2 SER 44 -3.884 -17.467 -8.128 316 HB3 SER 44 HB3 SER 44 -5.176 -17.496 -9.328 317 HG SER 44 HG SER 44 -3.982 -16.257 -10.665 318 H TYR 45 H TYR 45 -6.124 -16.827 -6.160 319 HA TYR 45 HA TYR 45 -8.676 -17.427 -7.280 320 HB2 TYR 45 HB2 TYR 45 -7.348 -18.553 -5.299 321 HB3 TYR 45 HB3 TYR 45 -8.223 -17.378 -4.324 322 HD1 TYR 45 HD1 TYR 45 -8.290 -20.648 -5.193 323 HD2 TYR 45 HD2 TYR 45 -10.858 -17.256 -5.271 324 HE1 TYR 45 HE1 TYR 45 -10.248 -22.137 -5.167 325 HE2 TYR 45 HE2 TYR 45 -12.823 -18.736 -5.244 326 HH TYR 45 HH TYR 45 -12.751 -21.900 -5.981 327 H GLY 46 H GLY 46 -7.573 -15.089 -4.831 328 HA2 GLY 46 HA2 GLY 46 -10.106 -13.914 -4.393 329 HA3 GLY 46 HA3 GLY 46 -8.555 -13.184 -4.006 330 H THR 47 H THR 47 -7.459 -13.059 -6.585 331 HA THR 47 HA THR 47 -8.452 -10.622 -7.501 332 HB THR 47 HB THR 47 -7.151 -11.149 -9.623 333 HG1 THR 47 HG1 THR 47 -6.713 -13.199 -9.881 334 HG21 THR 47 HG21 THR 47 -5.847 -11.325 -6.910 335 HG22 THR 47 HG22 THR 47 -6.076 -9.890 -7.910 336 HG23 THR 47 HG23 THR 47 -4.940 -11.142 -8.411 337 H SER 48 H SER 48 -9.247 -13.910 -8.442 338 HA SER 48 HA SER 48 -10.648 -13.352 -10.806 339 HB2 SER 48 HB2 SER 48 -10.028 -15.624 -10.280 340 HB3 SER 48 HB3 SER 48 -10.987 -15.592 -8.800 341 HG SER 48 HG SER 48 -11.781 -16.377 -11.151 342 H LEU 49 H LEU 49 -11.673 -13.371 -7.433 343 HA LEU 49 HA LEU 49 -14.440 -12.942 -8.026 344 HB2 LEU 49 HB2 LEU 49 -13.736 -14.026 -5.963 345 HB3 LEU 49 HB3 LEU 49 -12.885 -12.563 -5.470 346 HG LEU 49 HG LEU 49 -14.870 -11.427 -4.995 347 HD11 LEU 49 HD11 LEU 49 -17.089 -12.785 -5.598 348 HD12 LEU 49 HD12 LEU 49 -16.056 -13.334 -6.917 349 HD13 LEU 49 HD13 LEU 49 -16.356 -11.611 -6.692 350 HD21 LEU 49 HD21 LEU 49 -15.919 -14.072 -4.204 351 HD22 LEU 49 HD22 LEU 49 -15.629 -12.626 -3.235 352 HD23 LEU 49 HD23 LEU 49 -14.284 -13.683 -3.669 353 H LEU 50 H LEU 50 -11.682 -10.900 -7.286 354 HA LEU 50 HA LEU 50 -13.137 -8.502 -6.870 355 HB2 LEU 50 HB2 LEU 50 -10.535 -9.276 -6.577 356 HB3 LEU 50 HB3 LEU 50 -10.444 -8.226 -7.990 357 HG LEU 50 HG LEU 50 -11.427 -7.484 -5.237 358 HD11 LEU 50 HD11 LEU 50 -8.885 -7.241 -6.667 359 HD12 LEU 50 HD12 LEU 50 -9.231 -7.174 -4.939 360 HD13 LEU 50 HD13 LEU 50 -9.458 -5.739 -5.939 361 HD21 LEU 50 HD21 LEU 50 -12.733 -6.035 -6.347 362 HD22 LEU 50 HD22 LEU 50 -11.854 -6.244 -7.862 363 HD23 LEU 50 HD23 LEU 50 -11.228 -5.156 -6.622 364 H ALA 51 H ALA 51 -11.370 -9.756 -9.695 365 HA ALA 51 HA ALA 51 -12.076 -7.617 -11.412 366 HB1 ALA 51 HB1 ALA 51 -11.596 -9.797 -13.054 367 HB2 ALA 51 HB2 ALA 51 -10.411 -8.611 -12.506 368 HB3 ALA 51 HB3 ALA 51 -10.629 -10.117 -11.614 369 H ALA 52 H ALA 52 -13.592 -10.680 -10.624 370 HA ALA 52 HA ALA 52 -15.421 -10.864 -12.724 371 HB1 ALA 52 HB1 ALA 52 -15.524 -12.783 -11.553 372 HB2 ALA 52 HB2 ALA 52 -15.188 -11.988 -10.015 373 HB3 ALA 52 HB3 ALA 52 -16.818 -11.954 -10.687 374 H ALA 53 H ALA 53 -15.765 -9.290 -9.553 375 HA ALA 53 HA ALA 53 -18.404 -8.340 -10.065 376 HB1 ALA 53 HB1 ALA 53 -18.221 -8.263 -7.841 377 HB2 ALA 53 HB2 ALA 53 -16.459 -8.182 -7.899 378 HB3 ALA 53 HB3 ALA 53 -17.417 -6.712 -8.087 379 H ARG 54 H ARG 54 -15.176 -6.895 -10.257 380 HA ARG 54 HA ARG 54 -15.900 -4.261 -10.773 381 HB2 ARG 54 HB2 ARG 54 -13.634 -4.529 -10.394 382 HB3 ARG 54 HB3 ARG 54 -13.518 -5.935 -11.444 383 HG2 ARG 54 HG2 ARG 54 -13.278 -4.679 -13.337 384 HG3 ARG 54 HG3 ARG 54 -14.161 -3.305 -12.669 385 HD2 ARG 54 HD2 ARG 54 -12.288 -2.358 -11.921 386 HD3 ARG 54 HD3 ARG 54 -11.752 -3.858 -11.166 387 HE ARG 54 HE ARG 54 -11.351 -4.084 -13.919 388 HH11 ARG 54 HH11 ARG 54 -10.161 -2.232 -11.223 389 HH12 ARG 54 HH12 ARG 54 -8.587 -1.999 -11.910 390 HH21 ARG 54 HH21 ARG 54 -9.283 -3.784 -14.834 391 HH22 ARG 54 HH22 ARG 54 -8.090 -2.882 -13.964 392 H ASP 55 H ASP 55 -15.225 -6.861 -13.114 393 HA ASP 55 HA ASP 55 -15.890 -5.323 -15.396 394 HB2 ASP 55 HB2 ASP 55 -14.711 -7.757 -14.989 395 HB3 ASP 55 HB3 ASP 55 -16.289 -8.231 -15.613 396 H GLU 56 H GLU 56 -17.732 -7.585 -13.394 397 HA GLU 56 HA GLU 56 -20.049 -7.714 -14.949 398 HB2 GLU 56 HB2 GLU 56 -19.781 -9.265 -13.159 399 HB3 GLU 56 HB3 GLU 56 -19.619 -7.975 -11.976 400 HG2 GLU 56 HG2 GLU 56 -21.792 -9.072 -11.840 401 HG3 GLU 56 HG3 GLU 56 -21.942 -7.369 -12.268 402 H PHE 57 H PHE 57 -19.274 -5.552 -12.229 403 HA PHE 57 HA PHE 57 -21.663 -4.086 -12.281 404 HB2 PHE 57 HB2 PHE 57 -18.896 -3.290 -11.359 405 HB3 PHE 57 HB3 PHE 57 -20.344 -2.333 -11.067 406 HD1 PHE 57 HD1 PHE 57 -22.249 -4.589 -10.499 407 HD2 PHE 57 HD2 PHE 57 -18.280 -3.830 -9.163 408 HE1 PHE 57 HE1 PHE 57 -22.693 -5.885 -8.455 409 HE2 PHE 57 HE2 PHE 57 -18.717 -5.125 -7.117 410 HZ PHE 57 HZ PHE 57 -20.926 -6.155 -6.761 411 H ARG 58 H ARG 58 -18.835 -3.943 -14.274 412 HA ARG 58 HA ARG 58 -18.965 -1.344 -15.253 413 HB2 ARG 58 HB2 ARG 58 -17.450 -3.590 -15.789 414 HB3 ARG 58 HB3 ARG 58 -18.310 -3.325 -17.300 415 HG2 ARG 58 HG2 ARG 58 -16.738 -1.851 -17.816 416 HG3 ARG 58 HG3 ARG 58 -17.419 -0.803 -16.570 417 HD2 ARG 58 HD2 ARG 58 -15.439 -0.918 -15.556 418 HD3 ARG 58 HD3 ARG 58 -15.844 -2.587 -15.157 419 HE ARG 58 HE ARG 58 -14.784 -2.756 -17.652 420 HH11 ARG 58 HH11 ARG 58 -13.700 -1.385 -14.642 421 HH12 ARG 58 HH12 ARG 58 -12.021 -1.654 -14.973 422 HH21 ARG 58 HH21 ARG 58 -12.577 -3.115 -18.101 423 HH22 ARG 58 HH22 ARG 58 -11.383 -2.637 -16.942 424 H GLN 59 H GLN 59 -20.829 -4.192 -16.120 425 HA GLN 59 HA GLN 59 -22.069 -2.995 -18.406 426 HB2 GLN 59 HB2 GLN 59 -21.900 -5.379 -18.363 427 HB3 GLN 59 HB3 GLN 59 -22.695 -5.469 -16.797 428 HG2 GLN 59 HG2 GLN 59 -24.370 -4.141 -18.728 429 HG3 GLN 59 HG3 GLN 59 -23.867 -5.729 -19.305 430 HE21 GLN 59 HE21 GLN 59 -25.619 -3.983 -16.865 431 HE22 GLN 59 HE22 GLN 59 -26.459 -5.341 -16.207 432 H ALA 60 H ALA 60 -22.806 -3.249 -14.998 433 HA ALA 60 HA ALA 60 -25.526 -2.529 -15.100 434 HB1 ALA 60 HB1 ALA 60 -24.583 -3.514 -13.113 435 HB2 ALA 60 HB2 ALA 60 -23.497 -2.139 -12.904 436 HB3 ALA 60 HB3 ALA 60 -25.238 -1.924 -12.719 437 H ASP 61 H ASP 61 -22.604 -0.561 -14.612 438 HA ASP 61 HA ASP 61 -24.202 1.875 -14.842 439 HB2 ASP 61 HB2 ASP 61 -22.180 3.051 -14.141 440 HB3 ASP 61 HB3 ASP 61 -22.537 1.732 -13.029 441 H LYS 62 H LYS 62 -23.812 0.148 -17.143 442 HA LYS 62 HA LYS 62 -21.870 1.405 -18.853 443 HB2 LYS 62 HB2 LYS 62 -22.548 -0.131 -20.513 444 HB3 LYS 62 HB3 LYS 62 -22.651 -1.014 -18.995 445 HG2 LYS 62 HG2 LYS 62 -25.098 -0.488 -18.958 446 HG3 LYS 62 HG3 LYS 62 -24.915 0.157 -20.591 447 HD2 LYS 62 HD2 LYS 62 -23.687 -2.415 -20.476 448 HD3 LYS 62 HD3 LYS 62 -25.313 -2.532 -19.797 449 HE2 LYS 62 HE2 LYS 62 -26.167 -1.369 -21.829 450 HE3 LYS 62 HE3 LYS 62 -24.542 -1.455 -22.507 451 HZ1 LYS 62 HZ1 LYS 62 -26.401 -3.305 -22.918 452 HZ2 LYS 62 HZ2 LYS 62 -25.655 -3.961 -21.549 453 HZ3 LYS 62 HZ3 LYS 62 -24.743 -3.641 -22.937 454 H LYS 63 H LYS 63 -25.302 1.696 -18.242 455 HA LYS 63 HA LYS 63 -25.898 3.274 -20.541 456 HB2 LYS 63 HB2 LYS 63 -27.694 2.093 -19.492 457 HB3 LYS 63 HB3 LYS 63 -27.350 2.831 -17.933 458 HG2 LYS 63 HG2 LYS 63 -27.950 4.730 -20.087 459 HG3 LYS 63 HG3 LYS 63 -29.280 3.659 -19.638 460 HD2 LYS 63 HD2 LYS 63 -27.690 5.181 -17.590 461 HD3 LYS 63 HD3 LYS 63 -29.099 5.879 -18.393 462 HE2 LYS 63 HE2 LYS 63 -30.072 3.465 -17.616 463 HE3 LYS 63 HE3 LYS 63 -28.931 3.805 -16.316 464 HZ1 LYS 63 HZ1 LYS 63 -31.034 4.693 -15.708 465 HZ2 LYS 63 HZ2 LYS 63 -31.208 5.495 -17.187 466 HZ3 LYS 63 HZ3 LYS 63 -30.032 6.004 -16.082 467 H LEU 64 H LEU 64 -24.525 3.936 -17.453 468 HA LEU 64 HA LEU 64 -25.107 6.769 -17.531 469 HB2 LEU 64 HB2 LEU 64 -23.089 5.526 -15.712 470 HB3 LEU 64 HB3 LEU 64 -24.147 6.907 -15.427 471 HG LEU 64 HG LEU 64 -25.114 4.056 -15.588 472 HD11 LEU 64 HD11 LEU 64 -25.152 4.004 -13.207 473 HD12 LEU 64 HD12 LEU 64 -24.642 5.689 -13.103 474 HD13 LEU 64 HD13 LEU 64 -23.523 4.465 -13.702 475 HD21 LEU 64 HD21 LEU 64 -26.713 5.887 -14.058 476 HD22 LEU 64 HD22 LEU 64 -27.160 4.905 -15.454 477 HD23 LEU 64 HD23 LEU 64 -26.463 6.508 -15.690 478 HA PRO 65 HA PRO 65 -21.553 8.102 -19.740 479 HB2 PRO 65 HB2 PRO 65 -21.093 10.503 -18.560 480 HB3 PRO 65 HB3 PRO 65 -22.450 10.216 -19.656 481 HG2 PRO 65 HG2 PRO 65 -22.408 10.256 -16.663 482 HG3 PRO 65 HG3 PRO 65 -23.598 10.958 -17.775 483 HD2 PRO 65 HD2 PRO 65 -24.008 8.606 -16.496 484 HD3 PRO 65 HD3 PRO 65 -24.657 8.939 -18.115 485 H ALA 66 H ALA 66 -19.303 8.361 -19.601 486 HA ALA 66 HA ALA 66 -17.987 6.941 -17.595 487 HB1 ALA 66 HB1 ALA 66 -16.723 7.034 -19.486 488 HB2 ALA 66 HB2 ALA 66 -17.128 8.720 -19.810 489 HB3 ALA 66 HB3 ALA 66 -15.945 8.321 -18.564 490 H LYS 67 H LYS 67 -18.753 10.345 -17.853 491 HA LYS 67 HA LYS 67 -17.013 11.264 -15.812 492 HB2 LYS 67 HB2 LYS 67 -18.193 13.326 -15.939 493 HB3 LYS 67 HB3 LYS 67 -18.137 12.681 -17.574 494 HG2 LYS 67 HG2 LYS 67 -20.454 11.732 -17.099 495 HG3 LYS 67 HG3 LYS 67 -20.466 12.795 -15.690 496 HD2 LYS 67 HD2 LYS 67 -20.029 13.695 -18.538 497 HD3 LYS 67 HD3 LYS 67 -21.558 13.805 -17.664 498 HE2 LYS 67 HE2 LYS 67 -18.990 15.099 -16.762 499 HE3 LYS 67 HE3 LYS 67 -20.235 15.921 -17.701 500 HZ1 LYS 67 HZ1 LYS 67 -20.195 15.231 -14.894 501 HZ2 LYS 67 HZ2 LYS 67 -21.662 14.909 -15.672 502 HZ3 LYS 67 HZ3 LYS 67 -21.019 16.474 -15.692 503 H ASP 68 H ASP 68 -20.167 9.799 -15.801 504 HA ASP 68 HA ASP 68 -20.575 10.429 -12.980 505 HB2 ASP 68 HB2 ASP 68 -22.427 10.524 -14.748 506 HB3 ASP 68 HB3 ASP 68 -22.392 8.763 -14.716 507 H LYS 69 H LYS 69 -18.391 8.695 -13.775 508 HA LYS 69 HA LYS 69 -18.893 6.541 -11.946 509 HB2 LYS 69 HB2 LYS 69 -18.428 4.714 -13.497 510 HB3 LYS 69 HB3 LYS 69 -19.863 5.600 -13.996 511 HG2 LYS 69 HG2 LYS 69 -18.660 6.703 -15.740 512 HG3 LYS 69 HG3 LYS 69 -17.126 6.047 -15.164 513 HD2 LYS 69 HD2 LYS 69 -17.483 4.471 -16.731 514 HD3 LYS 69 HD3 LYS 69 -18.561 3.772 -15.520 515 HE2 LYS 69 HE2 LYS 69 -20.451 4.462 -16.608 516 HE3 LYS 69 HE3 LYS 69 -19.656 5.858 -17.333 517 HZ1 LYS 69 HZ1 LYS 69 -18.370 4.082 -18.657 518 HZ2 LYS 69 HZ2 LYS 69 -19.955 4.453 -19.117 519 HZ3 LYS 69 HZ3 LYS 69 -19.640 3.051 -18.224 520 H LYS 70 H LYS 70 -17.039 5.816 -11.022 521 HA LYS 70 HA LYS 70 -14.626 7.268 -11.580 522 HB2 LYS 70 HB2 LYS 70 -15.112 6.794 -9.288 523 HB3 LYS 70 HB3 LYS 70 -15.300 5.076 -9.618 524 HG2 LYS 70 HG2 LYS 70 -13.200 5.492 -8.502 525 HG3 LYS 70 HG3 LYS 70 -12.911 4.925 -10.149 526 HD2 LYS 70 HD2 LYS 70 -11.409 6.740 -9.701 527 HD3 LYS 70 HD3 LYS 70 -12.629 7.302 -10.845 528 HE2 LYS 70 HE2 LYS 70 -13.650 7.814 -8.276 529 HE3 LYS 70 HE3 LYS 70 -11.963 8.322 -8.247 530 HZ1 LYS 70 HZ1 LYS 70 -13.840 9.139 -10.388 531 HZ2 LYS 70 HZ2 LYS 70 -12.321 9.793 -10.032 532 HZ3 LYS 70 HZ3 LYS 70 -13.618 10.044 -8.975 533 H SER 71 H SER 71 -13.370 6.748 -13.242 534 HA SER 71 HA SER 71 -12.002 5.539 -14.607 535 HB2 SER 71 HB2 SER 71 -12.154 3.966 -12.220 536 HB3 SER 71 HB3 SER 71 -12.186 2.883 -13.612 537 HG SER 71 HG SER 71 -10.085 4.002 -12.579 538 H ASP 72 H ASP 72 -14.270 2.979 -13.639 539 HA ASP 72 HA ASP 72 -15.748 3.182 -16.106 540 HB2 ASP 72 HB2 ASP 72 -13.826 0.915 -15.613 541 HB3 ASP 72 HB3 ASP 72 -15.227 0.727 -16.663 542 H MET 73 H MET 73 -16.206 3.221 -13.195 543 HA MET 73 HA MET 73 -18.438 1.371 -13.167 544 HB2 MET 73 HB2 MET 73 -17.861 0.293 -11.101 545 HB3 MET 73 HB3 MET 73 -16.516 0.091 -12.216 546 HG2 MET 73 HG2 MET 73 -15.818 2.380 -10.923 547 HG3 MET 73 HG3 MET 73 -16.648 1.486 -9.651 548 HE1 MET 73 HE1 MET 73 -14.652 -1.892 -9.667 549 HE2 MET 73 HE2 MET 73 -16.235 -1.145 -9.455 550 HE3 MET 73 HE3 MET 73 -15.693 -1.620 -11.065 551 H SER 74 H SER 74 -20.146 2.137 -12.026 552 HA SER 74 HA SER 74 -20.178 4.849 -11.260 553 HB2 SER 74 HB2 SER 74 -22.185 3.636 -12.034 554 HB3 SER 74 HB3 SER 74 -22.161 2.669 -10.560 555 HG SER 74 HG SER 74 -22.421 5.495 -10.664 556 H ILE 75 H ILE 75 -20.402 5.810 -9.215 557 HA ILE 75 HA ILE 75 -18.682 4.981 -7.230 558 HB ILE 75 HB ILE 75 -21.156 6.678 -6.879 559 HG12 ILE 75 HG12 ILE 75 -19.010 8.368 -6.862 560 HG13 ILE 75 HG13 ILE 75 -18.488 7.161 -8.032 561 HG21 ILE 75 HG21 ILE 75 -19.956 7.601 -4.924 562 HG22 ILE 75 HG22 ILE 75 -20.367 5.896 -4.740 563 HG23 ILE 75 HG23 ILE 75 -18.715 6.367 -5.139 564 HD11 ILE 75 HD11 ILE 75 -20.114 7.717 -9.532 565 HD12 ILE 75 HD12 ILE 75 -21.216 8.309 -8.288 566 HD13 ILE 75 HD13 ILE 75 -19.828 9.282 -8.773 567 H ALA 76 H ALA 76 -22.065 4.173 -7.686 568 HA ALA 76 HA ALA 76 -22.577 3.054 -5.159 569 HB1 ALA 76 HB1 ALA 76 -23.815 2.177 -7.761 570 HB2 ALA 76 HB2 ALA 76 -24.506 2.057 -6.143 571 HB3 ALA 76 HB3 ALA 76 -24.286 3.638 -6.893 572 H HIS 77 H HIS 77 -21.532 1.519 -8.198 573 HA HIS 77 HA HIS 77 -21.275 -1.072 -7.024 574 HB2 HIS 77 HB2 HIS 77 -20.151 0.010 -9.616 575 HB3 HIS 77 HB3 HIS 77 -20.203 -1.690 -9.157 576 HD1 HIS 77 HD1 HIS 77 -22.051 0.775 -10.997 577 HD2 HIS 77 HD2 HIS 77 -23.027 -2.578 -8.745 578 HE1 HIS 77 HE1 HIS 77 -24.385 0.153 -11.694 579 H TYR 78 H TYR 78 -19.098 1.612 -7.641 580 HA TYR 78 HA TYR 78 -16.647 0.358 -7.266 581 HB2 TYR 78 HB2 TYR 78 -17.008 2.724 -8.022 582 HB3 TYR 78 HB3 TYR 78 -17.346 3.153 -6.349 583 HD1 TYR 78 HD1 TYR 78 -14.820 2.779 -8.819 584 HD2 TYR 78 HD2 TYR 78 -15.494 2.625 -4.620 585 HE1 TYR 78 HE1 TYR 78 -12.415 3.113 -8.426 586 HE2 TYR 78 HE2 TYR 78 -13.091 2.960 -4.217 587 HH TYR 78 HH TYR 78 -10.919 2.509 -5.560 588 H ASN 79 H ASN 79 -18.884 1.707 -4.880 589 HA ASN 79 HA ASN 79 -17.300 1.449 -2.604 590 HB2 ASN 79 HB2 ASN 79 -20.187 1.692 -3.168 591 HB3 ASN 79 HB3 ASN 79 -19.790 0.953 -1.619 592 HD21 ASN 79 HD21 ASN 79 -20.694 3.726 -2.835 593 HD22 ASN 79 HD22 ASN 79 -19.827 4.842 -1.842 594 H ALA 80 H ALA 80 -19.231 -0.928 -4.321 595 HA ALA 80 HA ALA 80 -19.014 -2.961 -2.326 596 HB1 ALA 80 HB1 ALA 80 -19.529 -4.294 -4.665 597 HB2 ALA 80 HB2 ALA 80 -20.743 -3.614 -3.581 598 HB3 ALA 80 HB3 ALA 80 -20.194 -2.690 -4.979 599 H VAL 81 H VAL 81 -17.364 -2.346 -5.415 600 HA VAL 81 HA VAL 81 -15.701 -4.591 -5.413 601 HB VAL 81 HB VAL 81 -14.951 -1.884 -6.517 602 HG11 VAL 81 HG11 VAL 81 -13.169 -3.572 -6.495 603 HG12 VAL 81 HG12 VAL 81 -14.212 -4.675 -7.395 604 HG13 VAL 81 HG13 VAL 81 -13.671 -3.168 -8.137 605 HG21 VAL 81 HG21 VAL 81 -16.852 -2.045 -7.699 606 HG22 VAL 81 HG22 VAL 81 -15.985 -3.272 -8.623 607 HG23 VAL 81 HG23 VAL 81 -17.063 -3.753 -7.313 608 H HIS 82 H HIS 82 -15.053 -1.300 -4.217 609 HA HIS 82 HA HIS 82 -12.450 -1.715 -3.325 610 HB2 HIS 82 HB2 HIS 82 -13.278 0.517 -3.424 611 HB3 HIS 82 HB3 HIS 82 -14.616 0.143 -2.343 612 HD1 HIS 82 HD1 HIS 82 -11.118 1.272 -2.376 613 HD2 HIS 82 HD2 HIS 82 -13.832 -0.194 0.407 614 HE1 HIS 82 HE1 HIS 82 -10.132 1.812 -0.127 615 H SER 83 H SER 83 -15.525 -2.438 -1.787 616 HA SER 83 HA SER 83 -14.593 -2.961 0.804 617 HB2 SER 83 HB2 SER 83 -17.051 -3.044 -0.488 618 HB3 SER 83 HB3 SER 83 -16.774 -4.719 -0.009 619 HG SER 83 HG SER 83 -16.777 -4.145 2.072 620 H ALA 84 H ALA 84 -15.006 -5.117 -1.984 621 HA ALA 84 HA ALA 84 -14.096 -7.448 -0.625 622 HB1 ALA 84 HB1 ALA 84 -14.535 -6.775 -3.516 623 HB2 ALA 84 HB2 ALA 84 -13.852 -8.323 -3.016 624 HB3 ALA 84 HB3 ALA 84 -15.465 -7.856 -2.477 625 H ALA 85 H ALA 85 -12.565 -5.281 -3.002 626 HA ALA 85 HA ALA 85 -10.078 -6.542 -3.105 627 HB1 ALA 85 HB1 ALA 85 -9.220 -4.420 -3.970 628 HB2 ALA 85 HB2 ALA 85 -10.763 -4.846 -4.712 629 HB3 ALA 85 HB3 ALA 85 -10.700 -3.612 -3.453 630 H LYS 86 H LYS 86 -11.360 -4.176 -0.840 631 HA LYS 86 HA LYS 86 -8.935 -3.551 0.459 632 HB2 LYS 86 HB2 LYS 86 -10.976 -2.189 0.674 633 HB3 LYS 86 HB3 LYS 86 -11.752 -3.497 1.557 634 HG2 LYS 86 HG2 LYS 86 -10.475 -3.160 3.447 635 HG3 LYS 86 HG3 LYS 86 -9.184 -2.351 2.556 636 HD2 LYS 86 HD2 LYS 86 -11.703 -0.935 2.332 637 HD3 LYS 86 HD3 LYS 86 -11.211 -1.136 4.015 638 HE2 LYS 86 HE2 LYS 86 -8.895 -0.334 3.170 639 HE3 LYS 86 HE3 LYS 86 -9.797 0.271 1.782 640 HZ1 LYS 86 HZ1 LYS 86 -9.408 1.799 3.806 641 HZ2 LYS 86 HZ2 LYS 86 -10.681 0.937 4.509 642 HZ3 LYS 86 HZ3 LYS 86 -10.930 1.787 3.068 643 H THR 87 H THR 87 -11.364 -6.050 1.016 644 HA THR 87 HA THR 87 -10.212 -7.025 3.430 645 HB THR 87 HB THR 87 -11.861 -8.778 1.649 646 HG1 THR 87 HG1 THR 87 -13.297 -7.218 1.569 647 HG21 THR 87 HG21 THR 87 -11.335 -8.446 4.557 648 HG22 THR 87 HG22 THR 87 -11.475 -9.917 3.595 649 HG23 THR 87 HG23 THR 87 -12.924 -9.031 4.069 650 H MET 88 H MET 88 -9.854 -7.840 0.024 651 HA MET 88 HA MET 88 -8.214 -10.147 0.544 652 HB2 MET 88 HB2 MET 88 -8.902 -8.631 -1.971 653 HB3 MET 88 HB3 MET 88 -7.808 -10.008 -1.962 654 HG2 MET 88 HG2 MET 88 -9.559 -11.452 -1.158 655 HG3 MET 88 HG3 MET 88 -10.659 -10.084 -1.007 656 HE1 MET 88 HE1 MET 88 -12.110 -9.529 -4.365 657 HE2 MET 88 HE2 MET 88 -12.181 -9.342 -2.613 658 HE3 MET 88 HE3 MET 88 -10.976 -8.454 -3.547 659 H GLY 89 H GLY 89 -7.716 -6.760 0.210 660 HA2 GLY 89 HA2 GLY 89 -5.802 -5.514 0.525 661 HA3 GLY 89 HA3 GLY 89 -4.945 -7.009 0.869 662 H ILE 90 H ILE 90 -6.714 -6.538 -2.102 663 HA ILE 90 HA ILE 90 -4.220 -6.819 -3.587 664 HB ILE 90 HB ILE 90 -7.034 -6.777 -4.676 665 HG12 ILE 90 HG12 ILE 90 -5.325 -9.169 -3.962 666 HG13 ILE 90 HG13 ILE 90 -6.692 -8.594 -3.014 667 HG21 ILE 90 HG21 ILE 90 -5.391 -8.336 -6.283 668 HG22 ILE 90 HG22 ILE 90 -5.980 -6.712 -6.633 669 HG23 ILE 90 HG23 ILE 90 -4.406 -6.934 -5.869 670 HD11 ILE 90 HD11 ILE 90 -6.649 -10.011 -5.621 671 HD12 ILE 90 HD12 ILE 90 -7.684 -10.255 -4.214 672 HD13 ILE 90 HD13 ILE 90 -7.967 -8.887 -5.291 673 H ASP 91 H ASP 91 -3.502 -5.372 -5.134 674 HA ASP 91 HA ASP 91 -4.703 -2.688 -4.977 675 HB2 ASP 91 HB2 ASP 91 -1.954 -3.641 -4.867 676 HB3 ASP 91 HB3 ASP 91 -2.173 -2.394 -6.091 677 H THR 92 H THR 92 -2.939 -4.807 -7.235 678 HA THR 92 HA THR 92 -4.527 -3.628 -9.422 679 HB THR 92 HB THR 92 -2.328 -2.830 -9.787 680 HG1 THR 92 HG1 THR 92 -2.833 -3.484 -11.761 681 HG21 THR 92 HG21 THR 92 -0.645 -3.848 -8.726 682 HG22 THR 92 HG22 THR 92 -0.640 -5.025 -10.039 683 HG23 THR 92 HG23 THR 92 -1.562 -5.347 -8.571 684 H TRP 93 H TRP 93 -6.054 -5.201 -9.632 685 HA TRP 93 HA TRP 93 -5.116 -7.959 -10.039 686 HB2 TRP 93 HB2 TRP 93 -7.366 -8.684 -9.496 687 HB3 TRP 93 HB3 TRP 93 -6.778 -7.613 -8.228 688 HD1 TRP 93 HD1 TRP 93 -9.450 -7.888 -10.911 689 HE1 TRP 93 HE1 TRP 93 -11.129 -5.959 -10.626 690 HE3 TRP 93 HE3 TRP 93 -6.942 -5.141 -7.404 691 HZ2 TRP 93 HZ2 TRP 93 -11.360 -3.586 -9.114 692 HZ3 TRP 93 HZ3 TRP 93 -7.961 -3.054 -6.591 693 HH2 TRP 93 HH2 TRP 93 -10.124 -2.294 -7.430 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -0.606 4.852 -7.260 2 HA2 GLY 1 HA2 GLY 1 -2.444 3.589 -5.472 3 HA3 GLY 1 HA3 GLY 1 -2.284 2.689 -6.973 4 H ALA 2 H ALA 2 -1.574 1.661 -4.459 5 HA ALA 2 HA ALA 2 1.296 1.851 -4.177 6 HB1 ALA 2 HB1 ALA 2 -0.720 1.274 -2.433 7 HB2 ALA 2 HB2 ALA 2 -0.050 -0.325 -2.757 8 HB3 ALA 2 HB3 ALA 2 0.992 0.960 -2.145 9 H MET 3 H MET 3 -1.033 -0.326 -5.611 10 HA MET 3 HA MET 3 -0.819 -2.184 -6.904 11 HB2 MET 3 HB2 MET 3 1.409 -0.465 -7.558 12 HB3 MET 3 HB3 MET 3 1.855 -2.155 -7.754 13 HG2 MET 3 HG2 MET 3 0.702 -2.318 -9.634 14 HG3 MET 3 HG3 MET 3 -0.744 -1.656 -8.876 15 HE1 MET 3 HE1 MET 3 -0.747 -0.103 -12.003 16 HE2 MET 3 HE2 MET 3 -1.634 -0.764 -10.629 17 HE3 MET 3 HE3 MET 3 -1.494 0.983 -10.830 18 H ALA 4 H ALA 4 0.932 -4.094 -7.354 19 HA ALA 4 HA ALA 4 1.996 -5.915 -6.493 20 HB1 ALA 4 HB1 ALA 4 3.115 -3.682 -5.091 21 HB2 ALA 4 HB2 ALA 4 2.997 -5.069 -4.008 22 HB3 ALA 4 HB3 ALA 4 3.869 -5.214 -5.534 23 H ASN 5 H ASN 5 0.750 -7.521 -5.814 24 HA ASN 5 HA ASN 5 -0.868 -7.125 -3.385 25 HB2 ASN 5 HB2 ASN 5 -1.962 -9.327 -4.524 26 HB3 ASN 5 HB3 ASN 5 -2.511 -7.685 -4.846 27 HD21 ASN 5 HD21 ASN 5 -1.777 -6.637 -6.753 28 HD22 ASN 5 HD22 ASN 5 -1.272 -7.560 -8.123 29 HA PRO 6 HA PRO 6 1.219 -10.334 -1.243 30 HB2 PRO 6 HB2 PRO 6 -0.808 -11.628 0.017 31 HB3 PRO 6 HB3 PRO 6 -0.257 -10.017 0.490 32 HG2 PRO 6 HG2 PRO 6 -2.606 -10.797 -1.194 33 HG3 PRO 6 HG3 PRO 6 -2.504 -9.574 0.086 34 HD2 PRO 6 HD2 PRO 6 -2.409 -8.941 -2.545 35 HD3 PRO 6 HD3 PRO 6 -1.536 -8.015 -1.308 36 H LYS 7 H LYS 7 1.309 -12.730 -0.887 37 HA LYS 7 HA LYS 7 0.840 -14.079 -3.412 38 HB2 LYS 7 HB2 LYS 7 2.273 -14.916 -0.888 39 HB3 LYS 7 HB3 LYS 7 2.112 -15.949 -2.303 40 HG2 LYS 7 HG2 LYS 7 3.155 -13.324 -2.968 41 HG3 LYS 7 HG3 LYS 7 4.158 -14.177 -1.793 42 HD2 LYS 7 HD2 LYS 7 3.177 -15.622 -4.217 43 HD3 LYS 7 HD3 LYS 7 4.547 -14.517 -4.357 44 HE2 LYS 7 HE2 LYS 7 4.450 -16.673 -2.268 45 HE3 LYS 7 HE3 LYS 7 5.049 -16.984 -3.896 46 HZ1 LYS 7 HZ1 LYS 7 6.999 -16.291 -3.117 47 HZ2 LYS 7 HZ2 LYS 7 6.320 -15.628 -1.717 48 HZ3 LYS 7 HZ3 LYS 7 6.361 -14.725 -3.147 49 H THR 8 H THR 8 -0.280 -14.223 -0.086 50 HA THR 8 HA THR 8 -2.286 -16.219 -0.916 51 HB THR 8 HB THR 8 -2.317 -17.110 1.340 52 HG1 THR 8 HG1 THR 8 -0.902 -16.298 2.916 53 HG21 THR 8 HG21 THR 8 0.547 -16.894 0.409 54 HG22 THR 8 HG22 THR 8 -0.649 -17.986 -0.290 55 HG23 THR 8 HG23 THR 8 -0.158 -18.177 1.392 56 H ILE 9 H ILE 9 -4.265 -16.172 0.530 57 HA ILE 9 HA ILE 9 -4.878 -13.596 1.713 58 HB ILE 9 HB ILE 9 -7.002 -13.418 0.340 59 HG12 ILE 9 HG12 ILE 9 -5.706 -14.779 -1.923 60 HG13 ILE 9 HG13 ILE 9 -6.246 -15.859 -0.642 61 HG21 ILE 9 HG21 ILE 9 -4.665 -13.040 -1.464 62 HG22 ILE 9 HG22 ILE 9 -6.003 -11.950 -1.106 63 HG23 ILE 9 HG23 ILE 9 -4.706 -12.169 0.069 64 HD11 ILE 9 HD11 ILE 9 -8.434 -15.470 -1.051 65 HD12 ILE 9 HD12 ILE 9 -8.159 -13.805 -1.564 66 HD13 ILE 9 HD13 ILE 9 -7.802 -15.137 -2.663 67 H LYS 10 H LYS 10 -6.074 -13.906 3.469 68 HA LYS 10 HA LYS 10 -6.874 -16.366 4.423 69 HB2 LYS 10 HB2 LYS 10 -7.070 -13.666 5.261 70 HB3 LYS 10 HB3 LYS 10 -8.673 -14.372 5.423 71 HG2 LYS 10 HG2 LYS 10 -7.914 -15.017 7.429 72 HG3 LYS 10 HG3 LYS 10 -7.162 -16.326 6.513 73 HD2 LYS 10 HD2 LYS 10 -5.072 -15.458 6.728 74 HD3 LYS 10 HD3 LYS 10 -5.647 -13.789 6.714 75 HE2 LYS 10 HE2 LYS 10 -5.829 -13.711 8.950 76 HE3 LYS 10 HE3 LYS 10 -6.508 -15.334 9.047 77 HZ1 LYS 10 HZ1 LYS 10 -4.190 -16.160 8.645 78 HZ2 LYS 10 HZ2 LYS 10 -4.435 -15.399 10.136 79 HZ3 LYS 10 HZ3 LYS 10 -3.649 -14.575 8.885 80 H ALA 11 H ALA 11 -8.495 -17.715 3.996 81 HA ALA 11 HA ALA 11 -10.219 -17.464 1.858 82 HB1 ALA 11 HB1 ALA 11 -10.677 -19.085 4.360 83 HB2 ALA 11 HB2 ALA 11 -11.463 -19.335 2.800 84 HB3 ALA 11 HB3 ALA 11 -9.725 -19.590 2.963 85 H ALA 12 H ALA 12 -10.728 -16.536 5.224 86 HA ALA 12 HA ALA 12 -13.446 -16.023 5.208 87 HB1 ALA 12 HB1 ALA 12 -11.802 -15.901 7.153 88 HB2 ALA 12 HB2 ALA 12 -11.487 -14.246 6.631 89 HB3 ALA 12 HB3 ALA 12 -13.112 -14.719 7.129 90 H ALA 13 H ALA 13 -10.804 -14.079 3.948 91 HA ALA 13 HA ALA 13 -12.237 -11.692 3.523 92 HB1 ALA 13 HB1 ALA 13 -9.801 -12.806 2.145 93 HB2 ALA 13 HB2 ALA 13 -10.429 -11.178 1.880 94 HB3 ALA 13 HB3 ALA 13 -9.849 -11.650 3.477 95 H TYR 14 H TYR 14 -11.849 -14.602 1.586 96 HA TYR 14 HA TYR 14 -12.919 -13.622 -0.823 97 HB2 TYR 14 HB2 TYR 14 -11.698 -15.874 -0.270 98 HB3 TYR 14 HB3 TYR 14 -13.329 -16.466 0.028 99 HD1 TYR 14 HD1 TYR 14 -11.413 -14.580 -2.570 100 HD2 TYR 14 HD2 TYR 14 -14.481 -17.407 -1.738 101 HE1 TYR 14 HE1 TYR 14 -11.706 -14.961 -4.982 102 HE2 TYR 14 HE2 TYR 14 -14.782 -17.798 -4.148 103 HH TYR 14 HH TYR 14 -14.364 -16.728 -6.252 104 H ASN 15 H ASN 15 -14.478 -15.461 1.801 105 HA ASN 15 HA ASN 15 -17.067 -15.418 0.718 106 HB2 ASN 15 HB2 ASN 15 -16.007 -15.771 3.512 107 HB3 ASN 15 HB3 ASN 15 -17.739 -15.748 3.194 108 HD21 ASN 15 HD21 ASN 15 -14.745 -17.310 2.139 109 HD22 ASN 15 HD22 ASN 15 -15.454 -18.856 1.835 110 H GLN 16 H GLN 16 -15.313 -13.108 2.685 111 HA GLN 16 HA GLN 16 -17.585 -11.478 3.283 112 HB2 GLN 16 HB2 GLN 16 -15.166 -11.661 4.399 113 HB3 GLN 16 HB3 GLN 16 -14.846 -10.320 3.309 114 HG2 GLN 16 HG2 GLN 16 -16.846 -10.463 5.539 115 HG3 GLN 16 HG3 GLN 16 -15.477 -9.367 5.362 116 HE21 GLN 16 HE21 GLN 16 -18.751 -9.654 5.070 117 HE22 GLN 16 HE22 GLN 16 -19.061 -8.310 4.029 118 H ALA 17 H ALA 17 -15.132 -11.534 0.776 119 HA ALA 17 HA ALA 17 -15.643 -8.989 -0.327 120 HB1 ALA 17 HB1 ALA 17 -14.253 -11.448 -1.212 121 HB2 ALA 17 HB2 ALA 17 -14.729 -10.297 -2.462 122 HB3 ALA 17 HB3 ALA 17 -13.680 -9.782 -1.141 123 H ARG 18 H ARG 18 -16.825 -12.216 -1.265 124 HA ARG 18 HA ARG 18 -18.537 -11.242 -3.313 125 HB2 ARG 18 HB2 ARG 18 -19.569 -13.555 -3.124 126 HB3 ARG 18 HB3 ARG 18 -17.852 -13.498 -3.497 127 HG2 ARG 18 HG2 ARG 18 -17.390 -14.748 -1.733 128 HG3 ARG 18 HG3 ARG 18 -18.190 -13.594 -0.664 129 HD2 ARG 18 HD2 ARG 18 -19.205 -15.781 -0.436 130 HD3 ARG 18 HD3 ARG 18 -20.349 -14.655 -1.164 131 HE ARG 18 HE ARG 18 -18.843 -16.213 -3.064 132 HH11 ARG 18 HH11 ARG 18 -21.702 -16.053 -1.084 133 HH12 ARG 18 HH12 ARG 18 -22.598 -17.171 -2.059 134 HH21 ARG 18 HH21 ARG 18 -20.011 -17.685 -4.355 135 HH22 ARG 18 HH22 ARG 18 -21.635 -18.099 -3.919 136 H SER 19 H SER 19 -18.938 -11.884 0.109 137 HA SER 19 HA SER 19 -21.718 -11.896 0.282 138 HB2 SER 19 HB2 SER 19 -20.822 -12.466 2.306 139 HB3 SER 19 HB3 SER 19 -19.484 -11.328 2.154 140 HG SER 19 HG SER 19 -22.011 -10.969 3.227 141 H THR 20 H THR 20 -19.465 -9.157 0.526 142 HA THR 20 HA THR 20 -21.375 -7.156 0.953 143 HB THR 20 HB THR 20 -18.824 -6.710 -0.589 144 HG1 THR 20 HG1 THR 20 -17.978 -7.687 1.130 145 HG21 THR 20 HG21 THR 20 -19.141 -4.704 1.266 146 HG22 THR 20 HG22 THR 20 -20.800 -5.043 0.772 147 HG23 THR 20 HG23 THR 20 -19.592 -4.607 -0.436 148 H LEU 21 H LEU 21 -19.942 -8.357 -2.068 149 HA LEU 21 HA LEU 21 -21.244 -6.577 -3.803 150 HB2 LEU 21 HB2 LEU 21 -20.479 -9.414 -4.450 151 HB3 LEU 21 HB3 LEU 21 -20.629 -8.059 -5.567 152 HG LEU 21 HG LEU 21 -18.596 -7.910 -3.390 153 HD11 LEU 21 HD11 LEU 21 -17.504 -9.714 -4.074 154 HD12 LEU 21 HD12 LEU 21 -17.298 -8.943 -5.647 155 HD13 LEU 21 HD13 LEU 21 -18.681 -9.998 -5.357 156 HD21 LEU 21 HD21 LEU 21 -18.830 -6.890 -6.214 157 HD22 LEU 21 HD22 LEU 21 -17.370 -6.733 -5.237 158 HD23 LEU 21 HD23 LEU 21 -18.867 -5.955 -4.720 159 H ALA 22 H ALA 22 -22.306 -9.515 -2.260 160 HA ALA 22 HA ALA 22 -24.446 -10.264 -3.842 161 HB1 ALA 22 HB1 ALA 22 -23.446 -11.208 -1.566 162 HB2 ALA 22 HB2 ALA 22 -24.846 -10.361 -0.907 163 HB3 ALA 22 HB3 ALA 22 -25.068 -11.616 -2.125 164 H ASP 23 H ASP 23 -24.121 -7.520 -1.742 165 HA ASP 23 HA ASP 23 -26.798 -6.893 -1.270 166 HB2 ASP 23 HB2 ASP 23 -24.425 -5.759 -0.590 167 HB3 ASP 23 HB3 ASP 23 -25.005 -4.604 -1.787 168 H ALA 24 H ALA 24 -24.775 -6.337 -4.081 169 HA ALA 24 HA ALA 24 -27.033 -5.019 -5.431 170 HB1 ALA 24 HB1 ALA 24 -24.449 -5.026 -6.811 171 HB2 ALA 24 HB2 ALA 24 -25.582 -3.705 -6.524 172 HB3 ALA 24 HB3 ALA 24 -24.449 -4.184 -5.261 173 H GLY 25 H GLY 25 -25.030 -7.834 -5.404 174 HA2 GLY 25 HA2 GLY 25 -26.243 -9.741 -6.552 175 HA3 GLY 25 HA3 GLY 25 -26.203 -8.704 -7.970 176 H SER 26 H SER 26 -25.073 -11.377 -7.583 177 HA SER 26 HA SER 26 -22.250 -10.730 -8.130 178 HB2 SER 26 HB2 SER 26 -22.254 -13.390 -7.351 179 HB3 SER 26 HB3 SER 26 -21.756 -12.022 -6.355 180 HG SER 26 HG SER 26 -23.793 -13.667 -5.966 181 H ARG 27 H ARG 27 -21.745 -11.090 -10.177 182 HA ARG 27 HA ARG 27 -23.428 -12.656 -11.895 183 HB2 ARG 27 HB2 ARG 27 -21.474 -10.629 -12.217 184 HB3 ARG 27 HB3 ARG 27 -20.917 -12.030 -13.123 185 HG2 ARG 27 HG2 ARG 27 -22.249 -10.500 -14.493 186 HG3 ARG 27 HG3 ARG 27 -22.992 -12.095 -14.363 187 HD2 ARG 27 HD2 ARG 27 -23.898 -10.373 -12.240 188 HD3 ARG 27 HD3 ARG 27 -24.167 -9.617 -13.810 189 HE ARG 27 HE ARG 27 -25.068 -12.197 -14.078 190 HH11 ARG 27 HH11 ARG 27 -25.789 -9.488 -12.014 191 HH12 ARG 27 HH12 ARG 27 -27.449 -9.933 -11.791 192 HH21 ARG 27 HH21 ARG 27 -27.251 -12.793 -13.792 193 HH22 ARG 27 HH22 ARG 27 -28.279 -11.814 -12.802 194 H THR 28 H THR 28 -19.954 -12.877 -11.104 195 HA THR 28 HA THR 28 -19.797 -15.571 -12.095 196 HB THR 28 HB THR 28 -17.489 -15.504 -11.597 197 HG1 THR 28 HG1 THR 28 -18.125 -13.356 -9.836 198 HG21 THR 28 HG21 THR 28 -18.504 -13.742 -13.264 199 HG22 THR 28 HG22 THR 28 -16.789 -13.705 -12.853 200 HG23 THR 28 HG23 THR 28 -17.908 -12.588 -12.071 201 H ALA 29 H ALA 29 -19.790 -14.026 -8.909 202 HA ALA 29 HA ALA 29 -19.273 -16.282 -7.349 203 HB1 ALA 29 HB1 ALA 29 -19.921 -13.599 -6.891 204 HB2 ALA 29 HB2 ALA 29 -21.139 -14.541 -6.030 205 HB3 ALA 29 HB3 ALA 29 -19.426 -14.803 -5.701 206 H ALA 30 H ALA 30 -22.186 -15.234 -8.945 207 HA ALA 30 HA ALA 30 -24.080 -16.723 -7.509 208 HB1 ALA 30 HB1 ALA 30 -25.204 -15.327 -8.870 209 HB2 ALA 30 HB2 ALA 30 -23.969 -15.388 -10.128 210 HB3 ALA 30 HB3 ALA 30 -25.150 -16.690 -9.988 211 H LYS 31 H LYS 31 -22.097 -17.574 -10.318 212 HA LYS 31 HA LYS 31 -23.185 -20.269 -10.366 213 HB2 LYS 31 HB2 LYS 31 -22.157 -20.530 -12.429 214 HB3 LYS 31 HB3 LYS 31 -22.515 -18.808 -12.413 215 HG2 LYS 31 HG2 LYS 31 -20.206 -18.349 -11.717 216 HG3 LYS 31 HG3 LYS 31 -19.856 -20.077 -11.789 217 HD2 LYS 31 HD2 LYS 31 -19.941 -20.136 -14.086 218 HD3 LYS 31 HD3 LYS 31 -21.020 -18.742 -14.187 219 HE2 LYS 31 HE2 LYS 31 -19.312 -17.241 -14.081 220 HE3 LYS 31 HE3 LYS 31 -18.309 -18.287 -13.077 221 HZ1 LYS 31 HZ1 LYS 31 -18.795 -18.613 -15.990 222 HZ2 LYS 31 HZ2 LYS 31 -17.859 -19.649 -15.034 223 HZ3 LYS 31 HZ3 LYS 31 -17.368 -18.049 -15.277 224 H SER 32 H SER 32 -20.405 -18.569 -9.190 225 HA SER 32 HA SER 32 -18.936 -21.046 -8.707 226 HB2 SER 32 HB2 SER 32 -18.219 -18.278 -9.077 227 HB3 SER 32 HB3 SER 32 -17.550 -18.876 -7.558 228 HG SER 32 HG SER 32 -17.313 -20.398 -9.913 229 H HIS 33 H HIS 33 -17.682 -20.838 -6.438 230 HA HIS 33 HA HIS 33 -19.635 -20.166 -4.352 231 HB2 HIS 33 HB2 HIS 33 -18.575 -22.829 -5.030 232 HB3 HIS 33 HB3 HIS 33 -18.484 -22.418 -3.320 233 HD1 HIS 33 HD1 HIS 33 -20.481 -23.109 -2.057 234 HD2 HIS 33 HD2 HIS 33 -21.393 -22.259 -6.020 235 HE1 HIS 33 HE1 HIS 33 -22.939 -23.581 -2.297 236 HA PRO 34 HA PRO 34 -16.268 -18.463 -2.117 237 HB2 PRO 34 HB2 PRO 34 -16.892 -19.095 0.449 238 HB3 PRO 34 HB3 PRO 34 -17.773 -17.878 -0.482 239 HG2 PRO 34 HG2 PRO 34 -18.491 -20.732 0.062 240 HG3 PRO 34 HG3 PRO 34 -19.525 -19.292 0.096 241 HD2 PRO 34 HD2 PRO 34 -19.481 -21.004 -2.001 242 HD3 PRO 34 HD3 PRO 34 -19.778 -19.265 -2.195 243 H ILE 35 H ILE 35 -14.877 -19.152 0.025 244 HA ILE 35 HA ILE 35 -13.774 -21.807 -0.623 245 HB ILE 35 HB ILE 35 -12.322 -19.405 0.493 246 HG12 ILE 35 HG12 ILE 35 -12.086 -20.742 -2.211 247 HG13 ILE 35 HG13 ILE 35 -12.934 -19.230 -1.909 248 HG21 ILE 35 HG21 ILE 35 -11.437 -21.508 1.358 249 HG22 ILE 35 HG22 ILE 35 -11.278 -22.124 -0.285 250 HG23 ILE 35 HG23 ILE 35 -10.301 -20.754 0.240 251 HD11 ILE 35 HD11 ILE 35 -10.457 -18.752 -0.844 252 HD12 ILE 35 HD12 ILE 35 -10.097 -19.746 -2.256 253 HD13 ILE 35 HD13 ILE 35 -11.012 -18.250 -2.441 254 H HIS 36 H HIS 36 -13.852 -23.298 0.919 255 HA HIS 36 HA HIS 36 -13.894 -22.458 3.729 256 HB2 HIS 36 HB2 HIS 36 -15.676 -24.071 4.232 257 HB3 HIS 36 HB3 HIS 36 -16.226 -22.850 3.087 258 HD1 HIS 36 HD1 HIS 36 -16.882 -23.635 0.748 259 HD2 HIS 36 HD2 HIS 36 -15.398 -26.675 3.160 260 HE1 HIS 36 HE1 HIS 36 -17.387 -25.773 -0.477 261 H GLY 37 H GLY 37 -13.456 -24.292 5.228 262 HA2 GLY 37 HA2 GLY 37 -11.997 -25.927 5.922 263 HA3 GLY 37 HA3 GLY 37 -12.535 -26.793 4.491 264 H LYS 38 H LYS 38 -10.786 -23.735 4.516 265 HA LYS 38 HA LYS 38 -8.386 -25.119 3.542 266 HB2 LYS 38 HB2 LYS 38 -9.866 -22.869 2.204 267 HB3 LYS 38 HB3 LYS 38 -8.151 -23.128 1.917 268 HG2 LYS 38 HG2 LYS 38 -8.904 -25.569 1.380 269 HG3 LYS 38 HG3 LYS 38 -10.481 -24.813 1.134 270 HD2 LYS 38 HD2 LYS 38 -9.301 -23.176 -0.401 271 HD3 LYS 38 HD3 LYS 38 -7.901 -24.247 -0.311 272 HE2 LYS 38 HE2 LYS 38 -9.792 -26.045 -0.918 273 HE3 LYS 38 HE3 LYS 38 -10.502 -24.619 -1.672 274 HZ1 LYS 38 HZ1 LYS 38 -8.968 -24.616 -3.277 275 HZ2 LYS 38 HZ2 LYS 38 -8.663 -26.215 -2.820 276 HZ3 LYS 38 HZ3 LYS 38 -7.694 -24.965 -2.221 277 H THR 39 H THR 39 -6.493 -24.310 4.275 278 HA THR 39 HA THR 39 -6.505 -22.531 6.471 279 HB THR 39 HB THR 39 -3.969 -22.983 4.976 280 HG1 THR 39 HG1 THR 39 -4.340 -25.063 4.902 281 HG21 THR 39 HG21 THR 39 -3.184 -22.300 6.946 282 HG22 THR 39 HG22 THR 39 -3.828 -23.771 7.675 283 HG23 THR 39 HG23 THR 39 -4.808 -22.306 7.634 284 H ASP 40 H ASP 40 -5.532 -22.139 3.085 285 HA ASP 40 HA ASP 40 -6.236 -19.424 2.976 286 HB2 ASP 40 HB2 ASP 40 -3.789 -18.606 2.631 287 HB3 ASP 40 HB3 ASP 40 -4.416 -18.767 4.269 288 H VAL 41 H VAL 41 -6.162 -18.625 0.892 289 HA VAL 41 HA VAL 41 -5.168 -20.512 -1.143 290 HB VAL 41 HB VAL 41 -6.864 -19.327 -2.651 291 HG11 VAL 41 HG11 VAL 41 -8.665 -20.648 -0.904 292 HG12 VAL 41 HG12 VAL 41 -7.916 -21.262 -2.379 293 HG13 VAL 41 HG13 VAL 41 -7.117 -21.489 -0.823 294 HG21 VAL 41 HG21 VAL 41 -7.156 -17.638 -0.547 295 HG22 VAL 41 HG22 VAL 41 -8.352 -17.856 -1.825 296 HG23 VAL 41 HG23 VAL 41 -8.521 -18.728 -0.302 297 HA PRO 42 HA PRO 42 -2.488 -17.451 -2.788 298 HB2 PRO 42 HB2 PRO 42 -2.600 -18.005 -5.443 299 HB3 PRO 42 HB3 PRO 42 -1.770 -19.044 -4.280 300 HG2 PRO 42 HG2 PRO 42 -4.498 -19.342 -5.476 301 HG3 PRO 42 HG3 PRO 42 -3.254 -20.576 -5.205 302 HD2 PRO 42 HD2 PRO 42 -5.375 -20.257 -3.552 303 HD3 PRO 42 HD3 PRO 42 -3.788 -20.804 -2.974 304 H VAL 43 H VAL 43 -2.402 -15.478 -3.925 305 HA VAL 43 HA VAL 43 -4.656 -13.891 -3.907 306 HB VAL 43 HB VAL 43 -2.452 -12.908 -3.995 307 HG11 VAL 43 HG11 VAL 43 -1.499 -14.664 -5.517 308 HG12 VAL 43 HG12 VAL 43 -2.245 -13.800 -6.864 309 HG13 VAL 43 HG13 VAL 43 -1.010 -13.010 -5.883 310 HG21 VAL 43 HG21 VAL 43 -3.248 -11.062 -4.958 311 HG22 VAL 43 HG22 VAL 43 -3.296 -11.823 -6.548 312 HG23 VAL 43 HG23 VAL 43 -4.649 -12.022 -5.434 313 H SER 44 H SER 44 -3.484 -16.009 -6.423 314 HA SER 44 HA SER 44 -4.862 -15.035 -8.628 315 HB2 SER 44 HB2 SER 44 -3.492 -17.469 -7.910 316 HB3 SER 44 HB3 SER 44 -4.954 -17.846 -8.822 317 HG SER 44 HG SER 44 -2.625 -16.819 -9.698 318 H TYR 45 H TYR 45 -6.003 -16.902 -5.906 319 HA TYR 45 HA TYR 45 -8.516 -17.613 -7.070 320 HB2 TYR 45 HB2 TYR 45 -7.207 -18.648 -5.025 321 HB3 TYR 45 HB3 TYR 45 -8.131 -17.462 -4.109 322 HD1 TYR 45 HD1 TYR 45 -10.746 -17.426 -5.026 323 HD2 TYR 45 HD2 TYR 45 -8.105 -20.761 -4.968 324 HE1 TYR 45 HE1 TYR 45 -12.678 -18.947 -4.999 325 HE2 TYR 45 HE2 TYR 45 -10.030 -22.292 -4.943 326 HH TYR 45 HH TYR 45 -12.505 -22.151 -5.714 327 H GLY 46 H GLY 46 -7.500 -15.176 -4.680 328 HA2 GLY 46 HA2 GLY 46 -10.061 -14.033 -4.330 329 HA3 GLY 46 HA3 GLY 46 -8.531 -13.265 -3.933 330 H THR 47 H THR 47 -7.399 -13.242 -6.520 331 HA THR 47 HA THR 47 -8.355 -10.831 -7.522 332 HB THR 47 HB THR 47 -7.077 -11.433 -9.624 333 HG1 THR 47 HG1 THR 47 -6.380 -13.741 -8.101 334 HG21 THR 47 HG21 THR 47 -4.877 -11.817 -8.106 335 HG22 THR 47 HG22 THR 47 -6.009 -11.249 -6.879 336 HG23 THR 47 HG23 THR 47 -5.672 -10.256 -8.296 337 H SER 48 H SER 48 -9.271 -14.123 -8.291 338 HA SER 48 HA SER 48 -10.661 -13.635 -10.682 339 HB2 SER 48 HB2 SER 48 -10.010 -15.893 -9.739 340 HB3 SER 48 HB3 SER 48 -11.378 -15.742 -8.636 341 HG SER 48 HG SER 48 -12.303 -16.729 -10.294 342 H LEU 49 H LEU 49 -11.740 -13.618 -7.307 343 HA LEU 49 HA LEU 49 -14.459 -13.009 -7.966 344 HB2 LEU 49 HB2 LEU 49 -13.866 -14.194 -5.917 345 HB3 LEU 49 HB3 LEU 49 -12.971 -12.785 -5.353 346 HG LEU 49 HG LEU 49 -14.948 -11.555 -4.975 347 HD11 LEU 49 HD11 LEU 49 -16.422 -11.770 -6.675 348 HD12 LEU 49 HD12 LEU 49 -17.173 -12.917 -5.566 349 HD13 LEU 49 HD13 LEU 49 -16.128 -13.499 -6.862 350 HD21 LEU 49 HD21 LEU 49 -16.062 -14.142 -4.112 351 HD22 LEU 49 HD22 LEU 49 -15.706 -12.688 -3.179 352 HD23 LEU 49 HD23 LEU 49 -14.409 -13.809 -3.597 353 H LEU 50 H LEU 50 -11.626 -11.154 -7.004 354 HA LEU 50 HA LEU 50 -12.910 -8.695 -6.541 355 HB2 LEU 50 HB2 LEU 50 -10.338 -9.649 -6.378 356 HB3 LEU 50 HB3 LEU 50 -10.240 -8.489 -7.701 357 HG LEU 50 HG LEU 50 -11.121 -7.930 -4.870 358 HD11 LEU 50 HD11 LEU 50 -9.072 -6.263 -5.375 359 HD12 LEU 50 HD12 LEU 50 -8.597 -7.643 -6.363 360 HD13 LEU 50 HD13 LEU 50 -8.881 -7.853 -4.636 361 HD21 LEU 50 HD21 LEU 50 -12.244 -6.197 -5.685 362 HD22 LEU 50 HD22 LEU 50 -11.697 -6.544 -7.326 363 HD23 LEU 50 HD23 LEU 50 -10.711 -5.541 -6.261 364 H ALA 51 H ALA 51 -11.271 -9.936 -9.449 365 HA ALA 51 HA ALA 51 -11.928 -7.685 -11.057 366 HB1 ALA 51 HB1 ALA 51 -10.467 -10.144 -11.360 367 HB2 ALA 51 HB2 ALA 51 -11.493 -9.855 -12.765 368 HB3 ALA 51 HB3 ALA 51 -10.323 -8.635 -12.262 369 H ALA 52 H ALA 52 -13.484 -10.755 -10.393 370 HA ALA 52 HA ALA 52 -15.322 -10.834 -12.488 371 HB1 ALA 52 HB1 ALA 52 -15.117 -12.044 -9.809 372 HB2 ALA 52 HB2 ALA 52 -16.737 -11.979 -10.504 373 HB3 ALA 52 HB3 ALA 52 -15.436 -12.791 -11.375 374 H ALA 53 H ALA 53 -15.633 -9.364 -9.265 375 HA ALA 53 HA ALA 53 -18.262 -8.384 -9.673 376 HB1 ALA 53 HB1 ALA 53 -16.204 -8.188 -7.614 377 HB2 ALA 53 HB2 ALA 53 -17.189 -6.733 -7.766 378 HB3 ALA 53 HB3 ALA 53 -17.958 -8.290 -7.460 379 H ARG 54 H ARG 54 -15.059 -6.872 -9.945 380 HA ARG 54 HA ARG 54 -15.838 -4.272 -10.496 381 HB2 ARG 54 HB2 ARG 54 -13.553 -4.543 -10.162 382 HB3 ARG 54 HB3 ARG 54 -13.452 -5.911 -11.263 383 HG2 ARG 54 HG2 ARG 54 -13.257 -4.594 -13.108 384 HG3 ARG 54 HG3 ARG 54 -14.191 -3.274 -12.401 385 HD2 ARG 54 HD2 ARG 54 -12.343 -2.254 -11.702 386 HD3 ARG 54 HD3 ARG 54 -11.771 -3.721 -10.908 387 HE ARG 54 HE ARG 54 -11.334 -3.981 -13.657 388 HH11 ARG 54 HH11 ARG 54 -10.217 -2.078 -10.964 389 HH12 ARG 54 HH12 ARG 54 -8.639 -1.822 -11.632 390 HH21 ARG 54 HH21 ARG 54 -9.260 -3.651 -14.547 391 HH22 ARG 54 HH22 ARG 54 -8.096 -2.716 -13.671 392 H ASP 55 H ASP 55 -15.135 -6.859 -12.846 393 HA ASP 55 HA ASP 55 -15.798 -5.433 -15.150 394 HB2 ASP 55 HB2 ASP 55 -14.633 -7.665 -15.042 395 HB3 ASP 55 HB3 ASP 55 -16.207 -8.401 -14.752 396 H GLU 56 H GLU 56 -17.826 -7.505 -13.100 397 HA GLU 56 HA GLU 56 -20.170 -7.358 -14.613 398 HB2 GLU 56 HB2 GLU 56 -19.873 -8.950 -12.779 399 HB3 GLU 56 HB3 GLU 56 -19.859 -7.630 -11.618 400 HG2 GLU 56 HG2 GLU 56 -22.200 -7.090 -12.603 401 HG3 GLU 56 HG3 GLU 56 -22.140 -8.757 -13.174 402 H PHE 57 H PHE 57 -19.018 -5.291 -11.970 403 HA PHE 57 HA PHE 57 -21.260 -3.622 -11.802 404 HB2 PHE 57 HB2 PHE 57 -18.351 -3.132 -11.165 405 HB3 PHE 57 HB3 PHE 57 -19.614 -1.953 -10.828 406 HD1 PHE 57 HD1 PHE 57 -21.797 -3.698 -9.904 407 HD2 PHE 57 HD2 PHE 57 -17.624 -3.814 -9.072 408 HE1 PHE 57 HE1 PHE 57 -22.259 -4.808 -7.757 409 HE2 PHE 57 HE2 PHE 57 -18.080 -4.925 -6.924 410 HZ PHE 57 HZ PHE 57 -20.399 -5.423 -6.264 411 H ARG 58 H ARG 58 -18.493 -3.585 -13.952 412 HA ARG 58 HA ARG 58 -18.728 -1.012 -14.999 413 HB2 ARG 58 HB2 ARG 58 -16.830 -2.553 -15.427 414 HB3 ARG 58 HB3 ARG 58 -17.872 -3.511 -16.471 415 HG2 ARG 58 HG2 ARG 58 -17.909 -1.912 -18.130 416 HG3 ARG 58 HG3 ARG 58 -17.503 -0.602 -17.020 417 HD2 ARG 58 HD2 ARG 58 -15.667 -1.287 -18.594 418 HD3 ARG 58 HD3 ARG 58 -15.240 -1.302 -16.883 419 HE ARG 58 HE ARG 58 -14.852 -3.540 -17.063 420 HH11 ARG 58 HH11 ARG 58 -16.927 -2.562 -19.682 421 HH12 ARG 58 HH12 ARG 58 -16.910 -4.116 -20.448 422 HH21 ARG 58 HH21 ARG 58 -14.822 -5.590 -18.062 423 HH22 ARG 58 HH22 ARG 58 -15.714 -5.838 -19.525 424 H GLN 59 H GLN 59 -20.412 -3.992 -15.846 425 HA GLN 59 HA GLN 59 -21.757 -2.868 -18.108 426 HB2 GLN 59 HB2 GLN 59 -21.324 -5.285 -17.906 427 HB3 GLN 59 HB3 GLN 59 -22.397 -5.357 -16.514 428 HG2 GLN 59 HG2 GLN 59 -23.852 -4.153 -18.601 429 HG3 GLN 59 HG3 GLN 59 -23.025 -5.549 -19.288 430 HE21 GLN 59 HE21 GLN 59 -24.668 -4.763 -16.238 431 HE22 GLN 59 HE22 GLN 59 -25.641 -6.189 -16.198 432 H ALA 60 H ALA 60 -22.490 -3.281 -14.702 433 HA ALA 60 HA ALA 60 -25.230 -2.783 -14.726 434 HB1 ALA 60 HB1 ALA 60 -24.285 -3.548 -12.711 435 HB2 ALA 60 HB2 ALA 60 -23.118 -2.226 -12.662 436 HB3 ALA 60 HB3 ALA 60 -24.828 -1.903 -12.379 437 H ASP 61 H ASP 61 -22.531 -0.486 -14.451 438 HA ASP 61 HA ASP 61 -24.400 1.746 -14.716 439 HB2 ASP 61 HB2 ASP 61 -22.640 3.162 -13.991 440 HB3 ASP 61 HB3 ASP 61 -22.531 1.717 -12.989 441 H LYS 62 H LYS 62 -23.980 0.013 -16.965 442 HA LYS 62 HA LYS 62 -22.205 1.323 -18.805 443 HB2 LYS 62 HB2 LYS 62 -22.803 -1.125 -18.873 444 HB3 LYS 62 HB3 LYS 62 -24.399 -0.653 -19.441 445 HG2 LYS 62 HG2 LYS 62 -23.593 -0.760 -21.501 446 HG3 LYS 62 HG3 LYS 62 -22.635 0.675 -21.129 447 HD2 LYS 62 HD2 LYS 62 -20.906 -0.940 -20.168 448 HD3 LYS 62 HD3 LYS 62 -21.816 -2.215 -20.982 449 HE2 LYS 62 HE2 LYS 62 -21.557 -0.429 -22.993 450 HE3 LYS 62 HE3 LYS 62 -20.072 -0.116 -22.095 451 HZ1 LYS 62 HZ1 LYS 62 -20.515 -2.147 -23.894 452 HZ2 LYS 62 HZ2 LYS 62 -20.524 -2.906 -22.382 453 HZ3 LYS 62 HZ3 LYS 62 -19.187 -1.984 -22.857 454 H LYS 63 H LYS 63 -25.598 1.483 -18.001 455 HA LYS 63 HA LYS 63 -26.419 2.920 -20.321 456 HB2 LYS 63 HB2 LYS 63 -28.084 1.724 -19.089 457 HB3 LYS 63 HB3 LYS 63 -27.665 2.555 -17.597 458 HG2 LYS 63 HG2 LYS 63 -28.484 4.329 -19.777 459 HG3 LYS 63 HG3 LYS 63 -29.736 3.215 -19.223 460 HD2 LYS 63 HD2 LYS 63 -28.120 4.970 -17.382 461 HD3 LYS 63 HD3 LYS 63 -29.694 5.425 -18.040 462 HE2 LYS 63 HE2 LYS 63 -29.435 2.798 -16.667 463 HE3 LYS 63 HE3 LYS 63 -29.459 4.258 -15.680 464 HZ1 LYS 63 HZ1 LYS 63 -31.610 2.945 -16.987 465 HZ2 LYS 63 HZ2 LYS 63 -31.510 4.557 -17.489 466 HZ3 LYS 63 HZ3 LYS 63 -31.655 4.191 -15.843 467 H LEU 64 H LEU 64 -24.860 3.794 -17.378 468 HA LEU 64 HA LEU 64 -25.557 6.601 -17.583 469 HB2 LEU 64 HB2 LEU 64 -23.425 5.547 -15.780 470 HB3 LEU 64 HB3 LEU 64 -24.535 6.893 -15.530 471 HG LEU 64 HG LEU 64 -25.337 3.985 -15.465 472 HD11 LEU 64 HD11 LEU 64 -23.731 4.832 -13.647 473 HD12 LEU 64 HD12 LEU 64 -25.215 4.023 -13.142 474 HD13 LEU 64 HD13 LEU 64 -25.105 5.782 -13.079 475 HD21 LEU 64 HD21 LEU 64 -26.847 6.341 -15.725 476 HD22 LEU 64 HD22 LEU 64 -27.050 5.801 -14.058 477 HD23 LEU 64 HD23 LEU 64 -27.433 4.711 -15.392 478 HA PRO 65 HA PRO 65 -22.133 7.912 -19.999 479 HB2 PRO 65 HB2 PRO 65 -21.672 10.373 -18.952 480 HB3 PRO 65 HB3 PRO 65 -23.071 10.009 -19.968 481 HG2 PRO 65 HG2 PRO 65 -22.893 10.188 -16.985 482 HG3 PRO 65 HG3 PRO 65 -24.148 10.814 -18.071 483 HD2 PRO 65 HD2 PRO 65 -24.446 8.516 -16.670 484 HD3 PRO 65 HD3 PRO 65 -25.176 8.761 -18.270 485 H ALA 66 H ALA 66 -19.897 8.101 -19.991 486 HA ALA 66 HA ALA 66 -18.460 6.840 -17.987 487 HB1 ALA 66 HB1 ALA 66 -17.899 7.961 -20.493 488 HB2 ALA 66 HB2 ALA 66 -16.771 8.710 -19.361 489 HB3 ALA 66 HB3 ALA 66 -16.843 6.953 -19.502 490 H LYS 67 H LYS 67 -19.271 10.226 -18.363 491 HA LYS 67 HA LYS 67 -17.464 11.251 -16.438 492 HB2 LYS 67 HB2 LYS 67 -18.664 13.291 -16.609 493 HB3 LYS 67 HB3 LYS 67 -18.702 12.568 -18.212 494 HG2 LYS 67 HG2 LYS 67 -20.981 11.596 -17.435 495 HG3 LYS 67 HG3 LYS 67 -20.905 12.877 -16.223 496 HD2 LYS 67 HD2 LYS 67 -20.608 13.341 -19.187 497 HD3 LYS 67 HD3 LYS 67 -22.134 13.494 -18.313 498 HE2 LYS 67 HE2 LYS 67 -21.538 15.450 -17.356 499 HE3 LYS 67 HE3 LYS 67 -19.855 14.961 -17.161 500 HZ1 LYS 67 HZ1 LYS 67 -20.470 15.268 -19.903 501 HZ2 LYS 67 HZ2 LYS 67 -19.312 16.080 -18.976 502 HZ3 LYS 67 HZ3 LYS 67 -20.892 16.676 -19.065 503 H ASP 68 H ASP 68 -20.589 9.742 -16.221 504 HA ASP 68 HA ASP 68 -20.882 10.489 -13.415 505 HB2 ASP 68 HB2 ASP 68 -22.819 10.495 -15.071 506 HB3 ASP 68 HB3 ASP 68 -22.738 8.736 -15.022 507 H LYS 69 H LYS 69 -18.704 8.758 -14.229 508 HA LYS 69 HA LYS 69 -19.088 6.678 -12.289 509 HB2 LYS 69 HB2 LYS 69 -18.652 4.793 -13.781 510 HB3 LYS 69 HB3 LYS 69 -20.127 5.630 -14.249 511 HG2 LYS 69 HG2 LYS 69 -19.054 6.656 -16.104 512 HG3 LYS 69 HG3 LYS 69 -17.464 6.113 -15.560 513 HD2 LYS 69 HD2 LYS 69 -17.943 4.566 -17.202 514 HD3 LYS 69 HD3 LYS 69 -18.527 3.736 -15.757 515 HE2 LYS 69 HE2 LYS 69 -20.775 4.239 -16.255 516 HE3 LYS 69 HE3 LYS 69 -20.321 5.444 -17.459 517 HZ1 LYS 69 HZ1 LYS 69 -20.715 2.648 -17.779 518 HZ2 LYS 69 HZ2 LYS 69 -19.172 3.096 -18.307 519 HZ3 LYS 69 HZ3 LYS 69 -20.540 3.847 -18.961 520 H LYS 70 H LYS 70 -17.181 6.019 -11.420 521 HA LYS 70 HA LYS 70 -14.813 7.466 -12.199 522 HB2 LYS 70 HB2 LYS 70 -15.195 7.224 -9.852 523 HB3 LYS 70 HB3 LYS 70 -15.387 5.482 -9.999 524 HG2 LYS 70 HG2 LYS 70 -13.244 6.008 -9.022 525 HG3 LYS 70 HG3 LYS 70 -13.021 5.285 -10.617 526 HD2 LYS 70 HD2 LYS 70 -11.514 7.147 -10.390 527 HD3 LYS 70 HD3 LYS 70 -12.768 7.571 -11.558 528 HE2 LYS 70 HE2 LYS 70 -13.696 8.334 -8.995 529 HE3 LYS 70 HE3 LYS 70 -12.035 8.906 -9.145 530 HZ1 LYS 70 HZ1 LYS 70 -14.400 9.870 -10.416 531 HZ2 LYS 70 HZ2 LYS 70 -13.195 9.511 -11.547 532 HZ3 LYS 70 HZ3 LYS 70 -12.877 10.596 -10.289 533 H SER 71 H SER 71 -13.460 6.790 -13.713 534 HA SER 71 HA SER 71 -12.121 5.445 -14.975 535 HB2 SER 71 HB2 SER 71 -12.426 4.002 -12.517 536 HB3 SER 71 HB3 SER 71 -12.451 2.858 -13.858 537 HG SER 71 HG SER 71 -10.349 3.991 -12.794 538 H ASP 72 H ASP 72 -14.522 3.037 -13.947 539 HA ASP 72 HA ASP 72 -15.955 3.191 -16.436 540 HB2 ASP 72 HB2 ASP 72 -14.049 0.936 -15.876 541 HB3 ASP 72 HB3 ASP 72 -15.486 0.672 -16.860 542 H MET 73 H MET 73 -16.347 3.250 -13.470 543 HA MET 73 HA MET 73 -18.693 1.549 -13.432 544 HB2 MET 73 HB2 MET 73 -18.096 0.550 -11.234 545 HB3 MET 73 HB3 MET 73 -17.057 0.015 -12.548 546 HG2 MET 73 HG2 MET 73 -15.674 2.155 -11.614 547 HG3 MET 73 HG3 MET 73 -16.418 1.547 -10.138 548 HE1 MET 73 HE1 MET 73 -15.238 -2.298 -10.534 549 HE2 MET 73 HE2 MET 73 -16.449 -1.252 -9.792 550 HE3 MET 73 HE3 MET 73 -16.537 -1.619 -11.516 551 H SER 74 H SER 74 -20.269 2.228 -11.977 552 HA SER 74 HA SER 74 -20.264 4.967 -11.322 553 HB2 SER 74 HB2 SER 74 -22.462 4.648 -10.893 554 HB3 SER 74 HB3 SER 74 -22.191 3.030 -11.539 555 HG SER 74 HG SER 74 -23.195 3.307 -9.337 556 H ILE 75 H ILE 75 -20.569 5.892 -9.157 557 HA ILE 75 HA ILE 75 -18.454 5.223 -7.431 558 HB ILE 75 HB ILE 75 -20.905 6.891 -6.853 559 HG12 ILE 75 HG12 ILE 75 -18.862 8.643 -7.139 560 HG13 ILE 75 HG13 ILE 75 -18.351 7.390 -8.264 561 HG21 ILE 75 HG21 ILE 75 -19.011 7.909 -5.252 562 HG22 ILE 75 HG22 ILE 75 -20.137 6.653 -4.740 563 HG23 ILE 75 HG23 ILE 75 -18.510 6.218 -5.264 564 HD11 ILE 75 HD11 ILE 75 -20.129 7.739 -9.667 565 HD12 ILE 75 HD12 ILE 75 -21.143 8.415 -8.391 566 HD13 ILE 75 HD13 ILE 75 -19.827 9.372 -9.072 567 H ALA 76 H ALA 76 -21.918 4.522 -7.281 568 HA ALA 76 HA ALA 76 -21.957 3.374 -4.717 569 HB1 ALA 76 HB1 ALA 76 -24.126 3.385 -5.170 570 HB2 ALA 76 HB2 ALA 76 -23.787 3.745 -6.864 571 HB3 ALA 76 HB3 ALA 76 -23.889 2.070 -6.321 572 H HIS 77 H HIS 77 -21.339 1.983 -7.906 573 HA HIS 77 HA HIS 77 -21.161 -0.708 -6.931 574 HB2 HIS 77 HB2 HIS 77 -20.105 0.370 -9.548 575 HB3 HIS 77 HB3 HIS 77 -20.515 -1.300 -9.170 576 HD1 HIS 77 HD1 HIS 77 -21.759 1.021 -11.279 577 HD2 HIS 77 HD2 HIS 77 -23.536 -0.951 -8.083 578 HE1 HIS 77 HE1 HIS 77 -24.234 1.136 -11.710 579 H TYR 78 H TYR 78 -18.869 1.850 -7.734 580 HA TYR 78 HA TYR 78 -16.497 0.406 -7.608 581 HB2 TYR 78 HB2 TYR 78 -16.850 2.847 -8.289 582 HB3 TYR 78 HB3 TYR 78 -16.778 3.224 -6.571 583 HD1 TYR 78 HD1 TYR 78 -14.661 2.210 -5.326 584 HD2 TYR 78 HD2 TYR 78 -14.894 2.956 -9.509 585 HE1 TYR 78 HE1 TYR 78 -12.206 2.289 -5.443 586 HE2 TYR 78 HE2 TYR 78 -12.439 3.035 -9.637 587 HH TYR 78 HH TYR 78 -10.535 3.270 -8.350 588 H ASN 79 H ASN 79 -18.486 1.733 -5.034 589 HA ASN 79 HA ASN 79 -16.644 1.376 -2.923 590 HB2 ASN 79 HB2 ASN 79 -19.579 1.834 -3.141 591 HB3 ASN 79 HB3 ASN 79 -18.965 1.218 -1.609 592 HD21 ASN 79 HD21 ASN 79 -20.108 3.852 -2.515 593 HD22 ASN 79 HD22 ASN 79 -18.968 5.025 -1.956 594 H ALA 80 H ALA 80 -18.959 -0.756 -4.463 595 HA ALA 80 HA ALA 80 -18.867 -2.814 -2.501 596 HB1 ALA 80 HB1 ALA 80 -20.083 -2.410 -5.116 597 HB2 ALA 80 HB2 ALA 80 -19.562 -4.073 -4.842 598 HB3 ALA 80 HB3 ALA 80 -20.677 -3.300 -3.714 599 H VAL 81 H VAL 81 -17.333 -2.491 -5.703 600 HA VAL 81 HA VAL 81 -15.823 -4.861 -5.548 601 HB VAL 81 HB VAL 81 -16.232 -3.685 -7.666 602 HG11 VAL 81 HG11 VAL 81 -15.021 -1.674 -8.248 603 HG12 VAL 81 HG12 VAL 81 -15.977 -1.390 -6.792 604 HG13 VAL 81 HG13 VAL 81 -14.237 -1.655 -6.669 605 HG21 VAL 81 HG21 VAL 81 -13.407 -3.523 -7.908 606 HG22 VAL 81 HG22 VAL 81 -13.788 -4.837 -6.795 607 HG23 VAL 81 HG23 VAL 81 -14.481 -4.827 -8.416 608 H HIS 82 H HIS 82 -15.149 -1.556 -4.538 609 HA HIS 82 HA HIS 82 -12.401 -1.964 -3.948 610 HB2 HIS 82 HB2 HIS 82 -13.458 0.270 -4.322 611 HB3 HIS 82 HB3 HIS 82 -14.265 0.104 -2.765 612 HD1 HIS 82 HD1 HIS 82 -10.631 -0.415 -3.793 613 HD2 HIS 82 HD2 HIS 82 -12.927 1.681 -1.036 614 HE1 HIS 82 HE1 HIS 82 -8.984 0.809 -2.338 615 H SER 83 H SER 83 -15.373 -2.322 -2.111 616 HA SER 83 HA SER 83 -14.269 -2.544 0.455 617 HB2 SER 83 HB2 SER 83 -16.815 -3.468 -0.820 618 HB3 SER 83 HB3 SER 83 -16.406 -4.048 0.795 619 HG SER 83 HG SER 83 -17.569 -2.180 1.045 620 H ALA 84 H ALA 84 -14.843 -4.971 -2.050 621 HA ALA 84 HA ALA 84 -14.026 -7.191 -0.463 622 HB1 ALA 84 HB1 ALA 84 -13.798 -8.275 -2.798 623 HB2 ALA 84 HB2 ALA 84 -15.397 -7.782 -2.238 624 HB3 ALA 84 HB3 ALA 84 -14.515 -6.775 -3.386 625 H ALA 85 H ALA 85 -12.407 -5.213 -2.927 626 HA ALA 85 HA ALA 85 -9.998 -6.591 -3.072 627 HB1 ALA 85 HB1 ALA 85 -10.833 -4.630 -4.489 628 HB2 ALA 85 HB2 ALA 85 -10.142 -3.599 -3.235 629 HB3 ALA 85 HB3 ALA 85 -9.107 -4.709 -4.133 630 H LYS 86 H LYS 86 -11.117 -4.222 -0.726 631 HA LYS 86 HA LYS 86 -8.628 -3.802 0.558 632 HB2 LYS 86 HB2 LYS 86 -11.267 -2.843 0.816 633 HB3 LYS 86 HB3 LYS 86 -10.840 -3.523 2.380 634 HG2 LYS 86 HG2 LYS 86 -8.648 -1.974 1.428 635 HG3 LYS 86 HG3 LYS 86 -10.126 -1.016 1.307 636 HD2 LYS 86 HD2 LYS 86 -10.579 -1.241 3.612 637 HD3 LYS 86 HD3 LYS 86 -9.397 -2.539 3.796 638 HE2 LYS 86 HE2 LYS 86 -7.582 -0.995 3.418 639 HE3 LYS 86 HE3 LYS 86 -8.717 0.308 3.069 640 HZ1 LYS 86 HZ1 LYS 86 -8.226 -1.022 5.670 641 HZ2 LYS 86 HZ2 LYS 86 -9.570 -0.034 5.391 642 HZ3 LYS 86 HZ3 LYS 86 -8.010 0.610 5.278 643 H THR 87 H THR 87 -11.248 -6.106 1.062 644 HA THR 87 HA THR 87 -10.232 -7.198 3.480 645 HB THR 87 HB THR 87 -11.919 -8.822 1.615 646 HG1 THR 87 HG1 THR 87 -13.741 -7.605 2.540 647 HG21 THR 87 HG21 THR 87 -13.068 -9.312 3.815 648 HG22 THR 87 HG22 THR 87 -11.763 -8.420 4.597 649 HG23 THR 87 HG23 THR 87 -11.406 -9.881 3.677 650 H MET 88 H MET 88 -9.774 -7.951 0.076 651 HA MET 88 HA MET 88 -8.297 -10.368 0.617 652 HB2 MET 88 HB2 MET 88 -8.840 -8.793 -1.896 653 HB3 MET 88 HB3 MET 88 -7.803 -10.213 -1.878 654 HG2 MET 88 HG2 MET 88 -9.662 -11.567 -1.067 655 HG3 MET 88 HG3 MET 88 -10.702 -10.144 -1.073 656 HE1 MET 88 HE1 MET 88 -12.646 -10.735 -3.189 657 HE2 MET 88 HE2 MET 88 -11.844 -9.237 -2.717 658 HE3 MET 88 HE3 MET 88 -11.946 -9.684 -4.421 659 H GLY 89 H GLY 89 -7.605 -7.009 0.330 660 HA2 GLY 89 HA2 GLY 89 -5.633 -5.885 0.753 661 HA3 GLY 89 HA3 GLY 89 -4.861 -7.437 1.042 662 H ILE 90 H ILE 90 -6.562 -6.756 -1.926 663 HA ILE 90 HA ILE 90 -4.034 -7.027 -3.375 664 HB ILE 90 HB ILE 90 -6.874 -7.130 -4.398 665 HG12 ILE 90 HG12 ILE 90 -4.970 -9.445 -4.329 666 HG13 ILE 90 HG13 ILE 90 -5.869 -9.014 -2.878 667 HG21 ILE 90 HG21 ILE 90 -5.398 -8.294 -6.322 668 HG22 ILE 90 HG22 ILE 90 -5.838 -6.587 -6.326 669 HG23 ILE 90 HG23 ILE 90 -4.251 -7.087 -5.741 670 HD11 ILE 90 HD11 ILE 90 -7.230 -9.497 -5.503 671 HD12 ILE 90 HD12 ILE 90 -6.860 -10.801 -4.375 672 HD13 ILE 90 HD13 ILE 90 -7.927 -9.486 -3.884 673 H ASP 91 H ASP 91 -3.213 -5.481 -4.699 674 HA ASP 91 HA ASP 91 -4.450 -2.832 -4.524 675 HB2 ASP 91 HB2 ASP 91 -1.681 -3.606 -5.467 676 HB3 ASP 91 HB3 ASP 91 -2.272 -1.965 -5.222 677 H THR 92 H THR 92 -2.770 -4.793 -6.988 678 HA THR 92 HA THR 92 -4.520 -3.556 -9.014 679 HB THR 92 HB THR 92 -2.333 -2.782 -9.489 680 HG1 THR 92 HG1 THR 92 -2.076 -3.610 -11.521 681 HG21 THR 92 HG21 THR 92 -1.543 -5.407 -8.485 682 HG22 THR 92 HG22 THR 92 -0.645 -3.889 -8.512 683 HG23 THR 92 HG23 THR 92 -0.668 -4.927 -9.938 684 H TRP 93 H TRP 93 -6.084 -5.081 -9.229 685 HA TRP 93 HA TRP 93 -5.235 -7.850 -9.745 686 HB2 TRP 93 HB2 TRP 93 -7.414 -8.563 -9.074 687 HB3 TRP 93 HB3 TRP 93 -6.863 -7.403 -7.869 688 HD1 TRP 93 HD1 TRP 93 -9.406 -7.782 -10.712 689 HE1 TRP 93 HE1 TRP 93 -11.201 -5.956 -10.453 690 HE3 TRP 93 HE3 TRP 93 -7.283 -5.090 -6.919 691 HZ2 TRP 93 HZ2 TRP 93 -11.656 -3.675 -8.853 692 HZ3 TRP 93 HZ3 TRP 93 -8.463 -3.099 -6.083 693 HH2 TRP 93 HH2 TRP 93 -10.604 -2.408 -7.032 Start of MODEL 20 1 H1 GLY 1 H GLY 1 1.374 4.590 -7.117 2 HA2 GLY 1 HA2 GLY 1 -0.491 2.559 -8.184 3 HA3 GLY 1 HA3 GLY 1 0.779 3.291 -9.155 4 H ALA 2 H ALA 2 0.585 1.748 -5.943 5 HA ALA 2 HA ALA 2 3.174 0.537 -6.297 6 HB1 ALA 2 HB1 ALA 2 3.115 0.641 -4.083 7 HB2 ALA 2 HB2 ALA 2 1.404 1.067 -4.111 8 HB3 ALA 2 HB3 ALA 2 1.890 -0.628 -4.084 9 H MET 3 H MET 3 3.205 -1.005 -7.853 10 HA MET 3 HA MET 3 1.080 -2.953 -8.073 11 HB2 MET 3 HB2 MET 3 3.697 -2.647 -9.553 12 HB3 MET 3 HB3 MET 3 2.498 -3.883 -9.912 13 HG2 MET 3 HG2 MET 3 0.864 -1.953 -10.243 14 HG3 MET 3 HG3 MET 3 2.289 -0.917 -10.269 15 HE1 MET 3 HE1 MET 3 0.544 -0.567 -12.263 16 HE2 MET 3 HE2 MET 3 1.913 -0.219 -13.320 17 HE3 MET 3 HE3 MET 3 0.687 -1.385 -13.819 18 H ALA 4 H ALA 4 1.064 -4.291 -6.329 19 HA ALA 4 HA ALA 4 2.974 -6.383 -6.220 20 HB1 ALA 4 HB1 ALA 4 3.234 -5.458 -3.583 21 HB2 ALA 4 HB2 ALA 4 4.486 -5.555 -4.822 22 HB3 ALA 4 HB3 ALA 4 3.552 -4.072 -4.626 23 H ASN 5 H ASN 5 1.300 -7.810 -6.217 24 HA ASN 5 HA ASN 5 -0.905 -7.526 -4.371 25 HB2 ASN 5 HB2 ASN 5 -0.473 -10.045 -5.905 26 HB3 ASN 5 HB3 ASN 5 -1.965 -9.165 -5.589 27 HD21 ASN 5 HD21 ASN 5 -1.979 -6.916 -6.634 28 HD22 ASN 5 HD22 ASN 5 -1.456 -6.858 -8.280 29 HA PRO 6 HA PRO 6 0.591 -10.001 -1.071 30 HB2 PRO 6 HB2 PRO 6 -1.669 -11.276 -0.272 31 HB3 PRO 6 HB3 PRO 6 -1.385 -9.555 0.014 32 HG2 PRO 6 HG2 PRO 6 -3.009 -10.876 -2.125 33 HG3 PRO 6 HG3 PRO 6 -3.394 -9.445 -1.151 34 HD2 PRO 6 HD2 PRO 6 -2.474 -9.274 -3.692 35 HD3 PRO 6 HD3 PRO 6 -2.102 -8.054 -2.458 36 H LYS 7 H LYS 7 1.462 -11.984 -0.689 37 HA LYS 7 HA LYS 7 1.651 -13.859 -2.756 38 HB2 LYS 7 HB2 LYS 7 2.176 -14.287 0.191 39 HB3 LYS 7 HB3 LYS 7 2.770 -15.299 -1.119 40 HG2 LYS 7 HG2 LYS 7 4.051 -13.385 -1.986 41 HG3 LYS 7 HG3 LYS 7 3.494 -12.419 -0.617 42 HD2 LYS 7 HD2 LYS 7 4.631 -13.841 0.936 43 HD3 LYS 7 HD3 LYS 7 5.019 -15.005 -0.334 44 HE2 LYS 7 HE2 LYS 7 6.204 -12.943 -1.432 45 HE3 LYS 7 HE3 LYS 7 6.204 -12.321 0.217 46 HZ1 LYS 7 HZ1 LYS 7 7.377 -14.299 0.935 47 HZ2 LYS 7 HZ2 LYS 7 8.242 -13.523 -0.294 48 HZ3 LYS 7 HZ3 LYS 7 7.356 -14.922 -0.638 49 H THR 8 H THR 8 -0.470 -13.707 0.045 50 HA THR 8 HA THR 8 -2.230 -15.657 -1.185 51 HB THR 8 HB THR 8 -2.405 -16.876 1.086 52 HG1 THR 8 HG1 THR 8 -0.823 -16.560 2.494 53 HG21 THR 8 HG21 THR 8 -1.063 -18.563 0.279 54 HG22 THR 8 HG22 THR 8 0.205 -17.453 -0.240 55 HG23 THR 8 HG23 THR 8 -1.279 -17.599 -1.181 56 H ILE 9 H ILE 9 -4.357 -15.513 -0.482 57 HA ILE 9 HA ILE 9 -4.916 -13.289 1.370 58 HB ILE 9 HB ILE 9 -7.106 -13.080 0.137 59 HG12 ILE 9 HG12 ILE 9 -6.025 -14.231 -2.315 60 HG13 ILE 9 HG13 ILE 9 -6.282 -15.443 -1.065 61 HG21 ILE 9 HG21 ILE 9 -6.229 -11.588 -1.424 62 HG22 ILE 9 HG22 ILE 9 -4.974 -11.685 -0.191 63 HG23 ILE 9 HG23 ILE 9 -4.795 -12.575 -1.703 64 HD11 ILE 9 HD11 ILE 9 -8.410 -13.478 -1.830 65 HD12 ILE 9 HD12 ILE 9 -8.188 -15.008 -2.678 66 HD13 ILE 9 HD13 ILE 9 -8.576 -15.002 -0.958 67 H LYS 10 H LYS 10 -6.044 -13.747 3.143 68 HA LYS 10 HA LYS 10 -6.673 -16.316 3.960 69 HB2 LYS 10 HB2 LYS 10 -6.970 -13.670 4.986 70 HB3 LYS 10 HB3 LYS 10 -8.486 -14.527 5.233 71 HG2 LYS 10 HG2 LYS 10 -7.514 -15.253 7.110 72 HG3 LYS 10 HG3 LYS 10 -6.691 -16.394 6.044 73 HD2 LYS 10 HD2 LYS 10 -4.954 -15.455 7.283 74 HD3 LYS 10 HD3 LYS 10 -4.925 -14.537 5.776 75 HE2 LYS 10 HE2 LYS 10 -5.324 -12.631 6.853 76 HE3 LYS 10 HE3 LYS 10 -6.721 -13.325 7.675 77 HZ1 LYS 10 HZ1 LYS 10 -5.522 -13.794 9.512 78 HZ2 LYS 10 HZ2 LYS 10 -4.557 -12.521 8.956 79 HZ3 LYS 10 HZ3 LYS 10 -4.098 -14.122 8.659 80 H ALA 11 H ALA 11 -8.282 -17.691 3.557 81 HA ALA 11 HA ALA 11 -10.123 -17.372 1.527 82 HB1 ALA 11 HB1 ALA 11 -11.255 -19.336 2.410 83 HB2 ALA 11 HB2 ALA 11 -9.504 -19.541 2.481 84 HB3 ALA 11 HB3 ALA 11 -10.406 -19.152 3.946 85 H ALA 12 H ALA 12 -10.468 -16.639 4.958 86 HA ALA 12 HA ALA 12 -13.198 -16.227 5.128 87 HB1 ALA 12 HB1 ALA 12 -11.649 -16.187 7.044 88 HB2 ALA 12 HB2 ALA 12 -11.067 -14.607 6.516 89 HB3 ALA 12 HB3 ALA 12 -12.744 -14.804 7.028 90 H ALA 13 H ALA 13 -10.703 -14.122 3.824 91 HA ALA 13 HA ALA 13 -12.272 -11.785 3.592 92 HB1 ALA 13 HB1 ALA 13 -10.551 -11.027 2.010 93 HB2 ALA 13 HB2 ALA 13 -9.850 -11.706 3.480 94 HB3 ALA 13 HB3 ALA 13 -9.867 -12.653 1.992 95 H TYR 14 H TYR 14 -11.803 -14.569 1.497 96 HA TYR 14 HA TYR 14 -12.933 -13.570 -0.851 97 HB2 TYR 14 HB2 TYR 14 -11.745 -15.852 -0.325 98 HB3 TYR 14 HB3 TYR 14 -13.387 -16.417 -0.036 99 HD1 TYR 14 HD1 TYR 14 -14.538 -17.331 -1.814 100 HD2 TYR 14 HD2 TYR 14 -11.450 -14.513 -2.607 101 HE1 TYR 14 HE1 TYR 14 -14.846 -17.682 -4.229 102 HE2 TYR 14 HE2 TYR 14 -11.751 -14.855 -5.024 103 HH TYR 14 HH TYR 14 -14.377 -16.800 -6.292 104 H ASN 15 H ASN 15 -14.491 -15.411 1.772 105 HA ASN 15 HA ASN 15 -17.088 -15.346 0.729 106 HB2 ASN 15 HB2 ASN 15 -15.867 -15.885 3.372 107 HB3 ASN 15 HB3 ASN 15 -17.570 -15.437 3.388 108 HD21 ASN 15 HD21 ASN 15 -15.322 -17.900 2.853 109 HD22 ASN 15 HD22 ASN 15 -16.413 -19.106 2.270 110 H GLN 16 H GLN 16 -15.294 -13.015 2.632 111 HA GLN 16 HA GLN 16 -17.544 -11.355 3.227 112 HB2 GLN 16 HB2 GLN 16 -14.568 -10.876 3.356 113 HB3 GLN 16 HB3 GLN 16 -15.756 -9.674 3.840 114 HG2 GLN 16 HG2 GLN 16 -15.373 -12.399 5.058 115 HG3 GLN 16 HG3 GLN 16 -14.910 -10.853 5.769 116 HE21 GLN 16 HE21 GLN 16 -17.066 -9.297 5.314 117 HE22 GLN 16 HE22 GLN 16 -18.450 -9.924 6.136 118 H ALA 17 H ALA 17 -15.135 -11.485 0.682 119 HA ALA 17 HA ALA 17 -15.648 -8.956 -0.463 120 HB1 ALA 17 HB1 ALA 17 -14.474 -11.488 -1.581 121 HB2 ALA 17 HB2 ALA 17 -14.626 -10.009 -2.529 122 HB3 ALA 17 HB3 ALA 17 -13.635 -10.023 -1.071 123 H ARG 18 H ARG 18 -16.854 -12.200 -1.310 124 HA ARG 18 HA ARG 18 -18.588 -11.263 -3.360 125 HB2 ARG 18 HB2 ARG 18 -19.613 -13.565 -3.137 126 HB3 ARG 18 HB3 ARG 18 -17.891 -13.527 -3.491 127 HG2 ARG 18 HG2 ARG 18 -17.506 -14.806 -1.731 128 HG3 ARG 18 HG3 ARG 18 -18.180 -13.561 -0.677 129 HD2 ARG 18 HD2 ARG 18 -19.308 -15.718 -0.382 130 HD3 ARG 18 HD3 ARG 18 -20.408 -14.477 -0.983 131 HE ARG 18 HE ARG 18 -19.259 -16.001 -3.101 132 HH11 ARG 18 HH11 ARG 18 -21.733 -16.029 -0.652 133 HH12 ARG 18 HH12 ARG 18 -22.759 -17.125 -1.516 134 HH21 ARG 18 HH21 ARG 18 -20.601 -17.445 -4.248 135 HH22 ARG 18 HH22 ARG 18 -22.114 -17.931 -3.561 136 H SER 19 H SER 19 -18.942 -11.827 0.079 137 HA SER 19 HA SER 19 -21.717 -11.843 0.297 138 HB2 SER 19 HB2 SER 19 -20.356 -12.399 2.205 139 HB3 SER 19 HB3 SER 19 -19.617 -10.798 2.207 140 HG SER 19 HG SER 19 -22.363 -11.352 2.672 141 H THR 20 H THR 20 -19.480 -9.082 0.457 142 HA THR 20 HA THR 20 -21.361 -7.071 0.869 143 HB THR 20 HB THR 20 -18.831 -6.789 -0.761 144 HG1 THR 20 HG1 THR 20 -19.073 -6.350 2.031 145 HG21 THR 20 HG21 THR 20 -20.641 -4.869 0.665 146 HG22 THR 20 HG22 THR 20 -19.993 -4.780 -0.973 147 HG23 THR 20 HG23 THR 20 -18.940 -4.484 0.410 148 H LEU 21 H LEU 21 -20.294 -8.613 -2.113 149 HA LEU 21 HA LEU 21 -21.696 -6.818 -3.841 150 HB2 LEU 21 HB2 LEU 21 -20.842 -9.614 -4.526 151 HB3 LEU 21 HB3 LEU 21 -21.047 -8.239 -5.610 152 HG LEU 21 HG LEU 21 -18.944 -8.161 -3.483 153 HD11 LEU 21 HD11 LEU 21 -17.734 -9.779 -4.387 154 HD12 LEU 21 HD12 LEU 21 -17.825 -8.998 -5.965 155 HD13 LEU 21 HD13 LEU 21 -19.066 -10.154 -5.480 156 HD21 LEU 21 HD21 LEU 21 -18.987 -7.039 -6.277 157 HD22 LEU 21 HD22 LEU 21 -17.879 -6.635 -4.966 158 HD23 LEU 21 HD23 LEU 21 -19.577 -6.164 -4.864 159 H ALA 22 H ALA 22 -22.471 -9.779 -2.178 160 HA ALA 22 HA ALA 22 -24.647 -10.702 -3.613 161 HB1 ALA 22 HB1 ALA 22 -24.810 -12.155 -1.936 162 HB2 ALA 22 HB2 ALA 22 -23.464 -11.303 -1.179 163 HB3 ALA 22 HB3 ALA 22 -25.124 -10.876 -0.763 164 H ASP 23 H ASP 23 -24.374 -7.885 -1.611 165 HA ASP 23 HA ASP 23 -27.046 -7.417 -0.967 166 HB2 ASP 23 HB2 ASP 23 -24.789 -6.130 -0.382 167 HB3 ASP 23 HB3 ASP 23 -25.328 -5.095 -1.702 168 H ALA 24 H ALA 24 -25.280 -6.858 -3.941 169 HA ALA 24 HA ALA 24 -27.727 -5.767 -5.164 170 HB1 ALA 24 HB1 ALA 24 -26.366 -4.689 -6.796 171 HB2 ALA 24 HB2 ALA 24 -25.675 -4.334 -5.211 172 HB3 ALA 24 HB3 ALA 24 -24.926 -5.549 -6.248 173 H GLY 25 H GLY 25 -25.484 -8.384 -5.181 174 HA2 GLY 25 HA2 GLY 25 -26.572 -10.421 -6.224 175 HA3 GLY 25 HA3 GLY 25 -26.690 -9.424 -7.667 176 H SER 26 H SER 26 -25.313 -11.974 -7.281 177 HA SER 26 HA SER 26 -22.584 -11.098 -7.967 178 HB2 SER 26 HB2 SER 26 -22.286 -13.716 -7.157 179 HB3 SER 26 HB3 SER 26 -21.935 -12.298 -6.169 180 HG SER 26 HG SER 26 -23.914 -12.479 -5.208 181 H ARG 27 H ARG 27 -22.155 -11.435 -10.035 182 HA ARG 27 HA ARG 27 -23.761 -13.188 -11.645 183 HB2 ARG 27 HB2 ARG 27 -22.098 -10.963 -12.102 184 HB3 ARG 27 HB3 ARG 27 -21.363 -12.302 -12.973 185 HG2 ARG 27 HG2 ARG 27 -22.916 -11.027 -14.368 186 HG3 ARG 27 HG3 ARG 27 -23.430 -12.703 -14.165 187 HD2 ARG 27 HD2 ARG 27 -25.237 -10.941 -13.966 188 HD3 ARG 27 HD3 ARG 27 -25.128 -12.102 -12.643 189 HE ARG 27 HE ARG 27 -23.612 -9.742 -12.127 190 HH11 ARG 27 HH11 ARG 27 -26.828 -11.073 -12.089 191 HH12 ARG 27 HH12 ARG 27 -27.403 -9.988 -10.867 192 HH21 ARG 27 HH21 ARG 27 -24.357 -8.307 -10.518 193 HH22 ARG 27 HH22 ARG 27 -25.997 -8.414 -9.975 194 H THR 28 H THR 28 -20.248 -13.044 -11.023 195 HA THR 28 HA THR 28 -19.858 -15.716 -12.004 196 HB THR 28 HB THR 28 -17.554 -15.407 -11.620 197 HG1 THR 28 HG1 THR 28 -17.223 -14.686 -9.625 198 HG21 THR 28 HG21 THR 28 -17.123 -13.586 -12.931 199 HG22 THR 28 HG22 THR 28 -18.208 -12.535 -12.019 200 HG23 THR 28 HG23 THR 28 -18.866 -13.694 -13.174 201 H ALA 29 H ALA 29 -19.854 -14.153 -8.824 202 HA ALA 29 HA ALA 29 -19.061 -16.343 -7.287 203 HB1 ALA 29 HB1 ALA 29 -20.050 -13.725 -6.815 204 HB2 ALA 29 HB2 ALA 29 -20.959 -14.847 -5.802 205 HB3 ALA 29 HB3 ALA 29 -19.199 -14.798 -5.703 206 H ALA 30 H ALA 30 -22.136 -15.564 -8.730 207 HA ALA 30 HA ALA 30 -23.843 -17.167 -7.217 208 HB1 ALA 30 HB1 ALA 30 -25.045 -17.342 -9.574 209 HB2 ALA 30 HB2 ALA 30 -25.031 -15.846 -8.640 210 HB3 ALA 30 HB3 ALA 30 -23.896 -16.064 -9.971 211 H LYS 31 H LYS 31 -21.709 -17.987 -9.897 212 HA LYS 31 HA LYS 31 -22.569 -20.784 -9.761 213 HB2 LYS 31 HB2 LYS 31 -22.414 -19.663 -11.981 214 HB3 LYS 31 HB3 LYS 31 -20.686 -19.463 -11.724 215 HG2 LYS 31 HG2 LYS 31 -21.148 -22.169 -11.294 216 HG3 LYS 31 HG3 LYS 31 -22.154 -21.752 -12.683 217 HD2 LYS 31 HD2 LYS 31 -20.254 -22.104 -13.843 218 HD3 LYS 31 HD3 LYS 31 -19.864 -20.463 -13.322 219 HE2 LYS 31 HE2 LYS 31 -19.056 -22.011 -11.192 220 HE3 LYS 31 HE3 LYS 31 -18.642 -23.005 -12.587 221 HZ1 LYS 31 HZ1 LYS 31 -17.903 -20.150 -12.490 222 HZ2 LYS 31 HZ2 LYS 31 -17.220 -21.390 -13.416 223 HZ3 LYS 31 HZ3 LYS 31 -16.932 -21.321 -11.750 224 H SER 32 H SER 32 -19.928 -18.685 -8.971 225 HA SER 32 HA SER 32 -18.181 -20.965 -8.388 226 HB2 SER 32 HB2 SER 32 -17.587 -17.996 -8.386 227 HB3 SER 32 HB3 SER 32 -16.408 -19.273 -8.091 228 HG SER 32 HG SER 32 -16.397 -19.769 -10.165 229 H HIS 33 H HIS 33 -18.782 -21.821 -6.474 230 HA HIS 33 HA HIS 33 -19.828 -20.420 -4.285 231 HB2 HIS 33 HB2 HIS 33 -19.113 -22.475 -2.972 232 HB3 HIS 33 HB3 HIS 33 -20.166 -22.769 -4.352 233 HD1 HIS 33 HD1 HIS 33 -16.540 -23.070 -3.331 234 HD2 HIS 33 HD2 HIS 33 -19.144 -24.457 -6.257 235 HE1 HIS 33 HE1 HIS 33 -15.259 -24.828 -4.593 236 HA PRO 34 HA PRO 34 -16.394 -18.528 -2.315 237 HB2 PRO 34 HB2 PRO 34 -17.046 -18.810 0.305 238 HB3 PRO 34 HB3 PRO 34 -17.881 -17.690 -0.777 239 HG2 PRO 34 HG2 PRO 34 -18.700 -20.427 0.117 240 HG3 PRO 34 HG3 PRO 34 -19.684 -18.959 -0.037 241 HD2 PRO 34 HD2 PRO 34 -19.695 -20.922 -1.902 242 HD3 PRO 34 HD3 PRO 34 -19.930 -19.211 -2.315 243 H ILE 35 H ILE 35 -15.029 -18.987 -0.101 244 HA ILE 35 HA ILE 35 -13.993 -21.726 -0.428 245 HB ILE 35 HB ILE 35 -12.495 -19.292 0.547 246 HG12 ILE 35 HG12 ILE 35 -12.347 -20.727 -2.113 247 HG13 ILE 35 HG13 ILE 35 -13.073 -19.146 -1.846 248 HG21 ILE 35 HG21 ILE 35 -11.724 -21.459 1.459 249 HG22 ILE 35 HG22 ILE 35 -11.466 -22.027 -0.190 250 HG23 ILE 35 HG23 ILE 35 -10.524 -20.673 0.433 251 HD11 ILE 35 HD11 ILE 35 -11.114 -18.171 -2.135 252 HD12 ILE 35 HD12 ILE 35 -10.407 -19.133 -0.836 253 HD13 ILE 35 HD13 ILE 35 -10.408 -19.748 -2.489 254 H HIS 36 H HIS 36 -14.157 -23.056 1.248 255 HA HIS 36 HA HIS 36 -14.264 -21.941 3.960 256 HB2 HIS 36 HB2 HIS 36 -16.067 -23.539 4.544 257 HB3 HIS 36 HB3 HIS 36 -16.576 -22.354 3.345 258 HD1 HIS 36 HD1 HIS 36 -15.601 -25.989 3.636 259 HD2 HIS 36 HD2 HIS 36 -17.452 -23.404 0.961 260 HE1 HIS 36 HE1 HIS 36 -16.544 -27.458 1.826 261 H GLY 37 H GLY 37 -13.680 -23.449 5.638 262 HA2 GLY 37 HA2 GLY 37 -12.238 -25.003 6.523 263 HA3 GLY 37 HA3 GLY 37 -12.894 -26.082 5.301 264 H LYS 38 H LYS 38 -10.993 -23.141 4.802 265 HA LYS 38 HA LYS 38 -8.773 -24.797 3.816 266 HB2 LYS 38 HB2 LYS 38 -10.056 -22.453 2.410 267 HB3 LYS 38 HB3 LYS 38 -8.482 -23.100 1.968 268 HG2 LYS 38 HG2 LYS 38 -10.004 -25.349 1.945 269 HG3 LYS 38 HG3 LYS 38 -11.167 -24.130 1.418 270 HD2 LYS 38 HD2 LYS 38 -10.285 -24.538 -0.617 271 HD3 LYS 38 HD3 LYS 38 -9.016 -23.440 -0.069 272 HE2 LYS 38 HE2 LYS 38 -7.748 -25.408 0.757 273 HE3 LYS 38 HE3 LYS 38 -8.986 -26.454 0.062 274 HZ1 LYS 38 HZ1 LYS 38 -7.940 -24.530 -1.798 275 HZ2 LYS 38 HZ2 LYS 38 -8.148 -26.200 -1.973 276 HZ3 LYS 38 HZ3 LYS 38 -6.761 -25.595 -1.216 277 H THR 39 H THR 39 -6.774 -24.097 4.351 278 HA THR 39 HA THR 39 -6.417 -22.270 6.429 279 HB THR 39 HB THR 39 -4.122 -22.710 4.594 280 HG1 THR 39 HG1 THR 39 -5.113 -24.840 6.192 281 HG21 THR 39 HG21 THR 39 -3.242 -23.490 6.952 282 HG22 THR 39 HG22 THR 39 -4.653 -22.601 7.527 283 HG23 THR 39 HG23 THR 39 -3.419 -21.777 6.574 284 H ASP 40 H ASP 40 -5.705 -21.885 2.960 285 HA ASP 40 HA ASP 40 -6.540 -19.216 2.829 286 HB2 ASP 40 HB2 ASP 40 -4.171 -18.240 2.458 287 HB3 ASP 40 HB3 ASP 40 -4.734 -18.468 4.111 288 H VAL 41 H VAL 41 -6.379 -18.349 0.735 289 HA VAL 41 HA VAL 41 -5.431 -20.270 -1.290 290 HB VAL 41 HB VAL 41 -7.093 -19.052 -2.809 291 HG11 VAL 41 HG11 VAL 41 -8.755 -20.386 -0.808 292 HG12 VAL 41 HG12 VAL 41 -8.462 -20.797 -2.499 293 HG13 VAL 41 HG13 VAL 41 -7.311 -21.293 -1.258 294 HG21 VAL 41 HG21 VAL 41 -7.346 -17.251 -0.906 295 HG22 VAL 41 HG22 VAL 41 -8.708 -17.673 -1.944 296 HG23 VAL 41 HG23 VAL 41 -8.586 -18.363 -0.326 297 HA PRO 42 HA PRO 42 -2.672 -17.278 -2.937 298 HB2 PRO 42 HB2 PRO 42 -2.788 -17.839 -5.590 299 HB3 PRO 42 HB3 PRO 42 -1.987 -18.894 -4.420 300 HG2 PRO 42 HG2 PRO 42 -4.717 -19.131 -5.625 301 HG3 PRO 42 HG3 PRO 42 -3.504 -20.394 -5.345 302 HD2 PRO 42 HD2 PRO 42 -5.622 -20.019 -3.701 303 HD3 PRO 42 HD3 PRO 42 -4.051 -20.601 -3.115 304 H VAL 43 H VAL 43 -2.529 -15.323 -4.112 305 HA VAL 43 HA VAL 43 -4.738 -13.672 -4.093 306 HB VAL 43 HB VAL 43 -2.523 -12.736 -4.203 307 HG11 VAL 43 HG11 VAL 43 -1.908 -13.047 -6.983 308 HG12 VAL 43 HG12 VAL 43 -0.950 -13.500 -5.572 309 HG13 VAL 43 HG13 VAL 43 -2.127 -14.632 -6.241 310 HG21 VAL 43 HG21 VAL 43 -3.151 -10.891 -5.324 311 HG22 VAL 43 HG22 VAL 43 -3.450 -11.776 -6.819 312 HG23 VAL 43 HG23 VAL 43 -4.670 -11.758 -5.546 313 H SER 44 H SER 44 -3.620 -15.823 -6.614 314 HA SER 44 HA SER 44 -5.018 -14.829 -8.801 315 HB2 SER 44 HB2 SER 44 -3.669 -17.291 -8.099 316 HB3 SER 44 HB3 SER 44 -5.121 -17.623 -9.043 317 HG SER 44 HG SER 44 -3.428 -15.569 -9.895 318 H TYR 45 H TYR 45 -6.114 -16.792 -6.112 319 HA TYR 45 HA TYR 45 -8.656 -17.432 -7.250 320 HB2 TYR 45 HB2 TYR 45 -7.318 -18.567 -5.283 321 HB3 TYR 45 HB3 TYR 45 -8.200 -17.409 -4.293 322 HD1 TYR 45 HD1 TYR 45 -8.243 -20.670 -5.208 323 HD2 TYR 45 HD2 TYR 45 -10.838 -17.299 -5.223 324 HE1 TYR 45 HE1 TYR 45 -10.188 -22.175 -5.194 325 HE2 TYR 45 HE2 TYR 45 -12.791 -18.794 -5.207 326 HH TYR 45 HH TYR 45 -13.502 -20.895 -5.268 327 H GLY 46 H GLY 46 -7.576 -15.106 -4.780 328 HA2 GLY 46 HA2 GLY 46 -10.112 -13.965 -4.306 329 HA3 GLY 46 HA3 GLY 46 -8.566 -13.208 -3.950 330 H THR 47 H THR 47 -7.527 -13.074 -6.556 331 HA THR 47 HA THR 47 -8.577 -10.653 -7.452 332 HB THR 47 HB THR 47 -7.273 -11.057 -9.543 333 HG1 THR 47 HG1 THR 47 -6.011 -13.003 -9.584 334 HG21 THR 47 HG21 THR 47 -5.060 -11.603 -8.122 335 HG22 THR 47 HG22 THR 47 -6.167 -11.222 -6.803 336 HG23 THR 47 HG23 THR 47 -5.870 -10.038 -8.076 337 H SER 48 H SER 48 -9.336 -13.955 -8.371 338 HA SER 48 HA SER 48 -10.764 -13.470 -10.720 339 HB2 SER 48 HB2 SER 48 -10.115 -15.704 -9.314 340 HB3 SER 48 HB3 SER 48 -11.841 -15.593 -8.968 341 HG SER 48 HG SER 48 -12.288 -16.029 -10.995 342 H LEU 49 H LEU 49 -11.819 -13.427 -7.345 343 HA LEU 49 HA LEU 49 -14.564 -12.920 -7.982 344 HB2 LEU 49 HB2 LEU 49 -13.894 -14.026 -5.908 345 HB3 LEU 49 HB3 LEU 49 -13.055 -12.564 -5.395 346 HG LEU 49 HG LEU 49 -15.077 -11.409 -5.030 347 HD11 LEU 49 HD11 LEU 49 -17.249 -12.875 -5.560 348 HD12 LEU 49 HD12 LEU 49 -16.193 -13.451 -6.850 349 HD13 LEU 49 HD13 LEU 49 -16.555 -11.731 -6.709 350 HD21 LEU 49 HD21 LEU 49 -16.055 -14.031 -4.091 351 HD22 LEU 49 HD22 LEU 49 -15.796 -12.528 -3.204 352 HD23 LEU 49 HD23 LEU 49 -14.428 -13.576 -3.582 353 H LEU 50 H LEU 50 -11.764 -10.956 -7.181 354 HA LEU 50 HA LEU 50 -13.145 -8.521 -6.773 355 HB2 LEU 50 HB2 LEU 50 -10.553 -9.381 -6.518 356 HB3 LEU 50 HB3 LEU 50 -10.457 -8.284 -7.894 357 HG LEU 50 HG LEU 50 -11.393 -7.621 -5.105 358 HD11 LEU 50 HD11 LEU 50 -8.861 -7.414 -6.532 359 HD12 LEU 50 HD12 LEU 50 -9.203 -7.317 -4.805 360 HD13 LEU 50 HD13 LEU 50 -9.393 -5.889 -5.823 361 HD21 LEU 50 HD21 LEU 50 -12.685 -6.108 -6.142 362 HD22 LEU 50 HD22 LEU 50 -11.837 -6.286 -7.678 363 HD23 LEU 50 HD23 LEU 50 -11.168 -5.250 -6.417 364 H ALA 51 H ALA 51 -11.422 -9.816 -9.607 365 HA ALA 51 HA ALA 51 -12.085 -7.647 -11.311 366 HB1 ALA 51 HB1 ALA 51 -10.668 -10.164 -11.524 367 HB2 ALA 51 HB2 ALA 51 -11.625 -9.820 -12.966 368 HB3 ALA 51 HB3 ALA 51 -10.428 -8.654 -12.403 369 H ALA 52 H ALA 52 -13.638 -10.698 -10.548 370 HA ALA 52 HA ALA 52 -15.462 -10.848 -12.654 371 HB1 ALA 52 HB1 ALA 52 -15.266 -11.981 -9.941 372 HB2 ALA 52 HB2 ALA 52 -16.882 -11.944 -10.646 373 HB3 ALA 52 HB3 ALA 52 -15.572 -12.774 -11.486 374 H ALA 53 H ALA 53 -15.802 -9.294 -9.473 375 HA ALA 53 HA ALA 53 -18.426 -8.306 -9.994 376 HB1 ALA 53 HB1 ALA 53 -16.507 -8.216 -7.810 377 HB2 ALA 53 HB2 ALA 53 -17.410 -6.712 -7.993 378 HB3 ALA 53 HB3 ALA 53 -18.270 -8.235 -7.770 379 H ARG 54 H ARG 54 -15.181 -6.888 -10.123 380 HA ARG 54 HA ARG 54 -15.872 -4.245 -10.628 381 HB2 ARG 54 HB2 ARG 54 -13.614 -4.543 -10.220 382 HB3 ARG 54 HB3 ARG 54 -13.498 -5.935 -11.289 383 HG2 ARG 54 HG2 ARG 54 -13.221 -4.654 -13.160 384 HG3 ARG 54 HG3 ARG 54 -14.100 -3.282 -12.484 385 HD2 ARG 54 HD2 ARG 54 -12.226 -2.361 -11.710 386 HD3 ARG 54 HD3 ARG 54 -11.723 -3.870 -10.951 387 HE ARG 54 HE ARG 54 -11.278 -4.080 -13.703 388 HH11 ARG 54 HH11 ARG 54 -10.100 -2.294 -10.956 389 HH12 ARG 54 HH12 ARG 54 -8.508 -2.088 -11.608 390 HH21 ARG 54 HH21 ARG 54 -9.186 -3.816 -14.572 391 HH22 ARG 54 HH22 ARG 54 -7.989 -2.953 -13.665 392 H ASP 55 H ASP 55 -15.190 -6.828 -12.986 393 HA ASP 55 HA ASP 55 -15.803 -5.266 -15.263 394 HB2 ASP 55 HB2 ASP 55 -14.574 -7.614 -14.962 395 HB3 ASP 55 HB3 ASP 55 -16.182 -8.219 -15.351 396 H GLU 56 H GLU 56 -17.710 -7.514 -13.306 397 HA GLU 56 HA GLU 56 -20.008 -7.587 -14.894 398 HB2 GLU 56 HB2 GLU 56 -19.783 -9.161 -13.115 399 HB3 GLU 56 HB3 GLU 56 -19.629 -7.884 -11.917 400 HG2 GLU 56 HG2 GLU 56 -21.823 -9.002 -11.879 401 HG3 GLU 56 HG3 GLU 56 -21.929 -7.270 -12.186 402 H PHE 57 H PHE 57 -19.235 -5.471 -12.138 403 HA PHE 57 HA PHE 57 -21.596 -3.965 -12.196 404 HB2 PHE 57 HB2 PHE 57 -18.824 -3.203 -11.259 405 HB3 PHE 57 HB3 PHE 57 -20.270 -2.247 -10.952 406 HD1 PHE 57 HD1 PHE 57 -18.206 -3.775 -9.072 407 HD2 PHE 57 HD2 PHE 57 -22.178 -4.510 -10.416 408 HE1 PHE 57 HE1 PHE 57 -18.643 -5.099 -7.045 409 HE2 PHE 57 HE2 PHE 57 -22.622 -5.833 -8.390 410 HZ PHE 57 HZ PHE 57 -20.854 -6.129 -6.701 411 H ARG 58 H ARG 58 -18.735 -3.827 -14.152 412 HA ARG 58 HA ARG 58 -18.860 -1.220 -15.119 413 HB2 ARG 58 HB2 ARG 58 -17.056 -2.980 -15.519 414 HB3 ARG 58 HB3 ARG 58 -18.088 -3.598 -16.802 415 HG2 ARG 58 HG2 ARG 58 -17.968 -0.925 -17.381 416 HG3 ARG 58 HG3 ARG 58 -16.352 -1.260 -16.755 417 HD2 ARG 58 HD2 ARG 58 -17.696 -2.906 -18.890 418 HD3 ARG 58 HD3 ARG 58 -16.620 -1.552 -19.233 419 HE ARG 58 HE ARG 58 -15.120 -3.099 -17.619 420 HH11 ARG 58 HH11 ARG 58 -16.975 -3.783 -20.485 421 HH12 ARG 58 HH12 ARG 58 -15.943 -5.076 -21.002 422 HH21 ARG 58 HH21 ARG 58 -13.754 -4.799 -18.289 423 HH22 ARG 58 HH22 ARG 58 -14.112 -5.653 -19.752 424 H GLN 59 H GLN 59 -20.726 -4.055 -15.975 425 HA GLN 59 HA GLN 59 -21.881 -2.948 -18.338 426 HB2 GLN 59 HB2 GLN 59 -21.687 -5.416 -17.736 427 HB3 GLN 59 HB3 GLN 59 -23.054 -5.159 -16.660 428 HG2 GLN 59 HG2 GLN 59 -24.518 -4.736 -18.419 429 HG3 GLN 59 HG3 GLN 59 -23.207 -4.420 -19.555 430 HE21 GLN 59 HE21 GLN 59 -23.635 -7.099 -17.294 431 HE22 GLN 59 HE22 GLN 59 -23.662 -8.342 -18.493 432 H ALA 60 H ALA 60 -22.863 -3.164 -14.955 433 HA ALA 60 HA ALA 60 -25.490 -2.278 -15.177 434 HB1 ALA 60 HB1 ALA 60 -25.343 -1.671 -12.844 435 HB2 ALA 60 HB2 ALA 60 -24.479 -3.184 -13.116 436 HB3 ALA 60 HB3 ALA 60 -23.581 -1.679 -12.921 437 H ASP 61 H ASP 61 -22.521 -0.375 -14.715 438 HA ASP 61 HA ASP 61 -24.034 2.090 -15.142 439 HB2 ASP 61 HB2 ASP 61 -22.172 3.259 -14.274 440 HB3 ASP 61 HB3 ASP 61 -22.307 1.812 -13.279 441 H LYS 62 H LYS 62 -23.659 0.248 -17.331 442 HA LYS 62 HA LYS 62 -21.583 1.201 -19.041 443 HB2 LYS 62 HB2 LYS 62 -22.580 -1.063 -19.227 444 HB3 LYS 62 HB3 LYS 62 -24.089 -0.331 -19.760 445 HG2 LYS 62 HG2 LYS 62 -21.991 0.666 -21.396 446 HG3 LYS 62 HG3 LYS 62 -21.852 -1.092 -21.313 447 HD2 LYS 62 HD2 LYS 62 -24.415 -1.052 -21.751 448 HD3 LYS 62 HD3 LYS 62 -24.110 0.586 -22.335 449 HE2 LYS 62 HE2 LYS 62 -22.401 -1.650 -23.321 450 HE3 LYS 62 HE3 LYS 62 -24.030 -1.470 -23.969 451 HZ1 LYS 62 HZ1 LYS 62 -22.980 1.051 -24.044 452 HZ2 LYS 62 HZ2 LYS 62 -23.152 0.001 -25.359 453 HZ3 LYS 62 HZ3 LYS 62 -21.688 0.065 -24.514 454 H LYS 63 H LYS 63 -25.092 1.735 -18.897 455 HA LYS 63 HA LYS 63 -25.104 3.585 -21.075 456 HB2 LYS 63 HB2 LYS 63 -27.117 2.369 -20.620 457 HB3 LYS 63 HB3 LYS 63 -27.141 2.918 -18.949 458 HG2 LYS 63 HG2 LYS 63 -27.164 5.087 -20.907 459 HG3 LYS 63 HG3 LYS 63 -28.566 4.019 -20.993 460 HD2 LYS 63 HD2 LYS 63 -29.437 4.976 -19.186 461 HD3 LYS 63 HD3 LYS 63 -27.992 4.579 -18.252 462 HE2 LYS 63 HE2 LYS 63 -27.037 6.638 -18.602 463 HE3 LYS 63 HE3 LYS 63 -27.905 6.904 -20.113 464 HZ1 LYS 63 HZ1 LYS 63 -29.768 7.627 -19.023 465 HZ2 LYS 63 HZ2 LYS 63 -28.568 8.200 -17.978 466 HZ3 LYS 63 HZ3 LYS 63 -29.417 6.787 -17.597 467 H LEU 64 H LEU 64 -24.474 3.809 -17.699 468 HA LEU 64 HA LEU 64 -25.137 6.518 -17.272 469 HB2 LEU 64 HB2 LEU 64 -23.318 4.569 -15.917 470 HB3 LEU 64 HB3 LEU 64 -23.320 6.264 -15.434 471 HG LEU 64 HG LEU 64 -25.725 6.074 -14.899 472 HD11 LEU 64 HD11 LEU 64 -25.293 3.361 -16.003 473 HD12 LEU 64 HD12 LEU 64 -26.710 4.406 -16.079 474 HD13 LEU 64 HD13 LEU 64 -26.357 3.506 -14.604 475 HD21 LEU 64 HD21 LEU 64 -23.997 4.027 -13.513 476 HD22 LEU 64 HD22 LEU 64 -25.445 4.793 -12.859 477 HD23 LEU 64 HD23 LEU 64 -24.002 5.758 -13.175 478 HA PRO 65 HA PRO 65 -21.921 8.733 -19.281 479 HB2 PRO 65 HB2 PRO 65 -21.669 10.872 -17.628 480 HB3 PRO 65 HB3 PRO 65 -23.053 10.648 -18.705 481 HG2 PRO 65 HG2 PRO 65 -22.817 10.064 -15.778 482 HG3 PRO 65 HG3 PRO 65 -24.152 10.823 -16.663 483 HD2 PRO 65 HD2 PRO 65 -24.196 8.223 -15.910 484 HD3 PRO 65 HD3 PRO 65 -24.986 8.801 -17.391 485 H ALA 66 H ALA 66 -19.719 9.445 -19.086 486 HA ALA 66 HA ALA 66 -18.109 7.755 -17.502 487 HB1 ALA 66 HB1 ALA 66 -16.663 10.075 -18.387 488 HB2 ALA 66 HB2 ALA 66 -16.541 8.402 -18.934 489 HB3 ALA 66 HB3 ALA 66 -17.724 9.486 -19.667 490 H LYS 67 H LYS 67 -19.431 10.919 -16.965 491 HA LYS 67 HA LYS 67 -17.645 11.680 -14.870 492 HB2 LYS 67 HB2 LYS 67 -19.070 13.551 -14.540 493 HB3 LYS 67 HB3 LYS 67 -19.049 13.249 -16.272 494 HG2 LYS 67 HG2 LYS 67 -21.190 11.786 -15.591 495 HG3 LYS 67 HG3 LYS 67 -21.256 13.023 -14.333 496 HD2 LYS 67 HD2 LYS 67 -21.027 13.618 -17.280 497 HD3 LYS 67 HD3 LYS 67 -22.554 13.576 -16.396 498 HE2 LYS 67 HE2 LYS 67 -22.191 15.575 -15.440 499 HE3 LYS 67 HE3 LYS 67 -20.486 15.233 -15.149 500 HZ1 LYS 67 HZ1 LYS 67 -20.756 17.057 -16.700 501 HZ2 LYS 67 HZ2 LYS 67 -21.667 16.082 -17.739 502 HZ3 LYS 67 HZ3 LYS 67 -20.032 15.737 -17.473 503 H ASP 68 H ASP 68 -20.621 9.873 -15.052 504 HA ASP 68 HA ASP 68 -20.885 9.831 -12.143 505 HB2 ASP 68 HB2 ASP 68 -22.646 8.726 -14.340 506 HB3 ASP 68 HB3 ASP 68 -22.986 8.554 -12.620 507 H LYS 69 H LYS 69 -18.618 8.550 -13.405 508 HA LYS 69 HA LYS 69 -18.806 6.000 -12.100 509 HB2 LYS 69 HB2 LYS 69 -18.337 4.605 -14.014 510 HB3 LYS 69 HB3 LYS 69 -19.813 5.512 -14.317 511 HG2 LYS 69 HG2 LYS 69 -18.632 7.043 -15.753 512 HG3 LYS 69 HG3 LYS 69 -17.094 6.265 -15.370 513 HD2 LYS 69 HD2 LYS 69 -17.554 5.214 -17.341 514 HD3 LYS 69 HD3 LYS 69 -18.395 4.121 -16.239 515 HE2 LYS 69 HE2 LYS 69 -20.474 5.454 -16.647 516 HE3 LYS 69 HE3 LYS 69 -19.593 6.340 -17.891 517 HZ1 LYS 69 HZ1 LYS 69 -20.709 4.664 -19.033 518 HZ2 LYS 69 HZ2 LYS 69 -20.364 3.488 -17.868 519 HZ3 LYS 69 HZ3 LYS 69 -19.136 4.059 -18.882 520 H LYS 70 H LYS 70 -16.839 5.280 -11.442 521 HA LYS 70 HA LYS 70 -14.545 6.972 -12.119 522 HB2 LYS 70 HB2 LYS 70 -14.940 6.821 -9.764 523 HB3 LYS 70 HB3 LYS 70 -15.068 5.069 -9.835 524 HG2 LYS 70 HG2 LYS 70 -12.943 5.814 -8.871 525 HG3 LYS 70 HG3 LYS 70 -12.714 4.881 -10.352 526 HD2 LYS 70 HD2 LYS 70 -11.245 6.822 -10.325 527 HD3 LYS 70 HD3 LYS 70 -12.443 6.969 -11.614 528 HE2 LYS 70 HE2 LYS 70 -13.667 8.585 -10.441 529 HE3 LYS 70 HE3 LYS 70 -12.890 8.191 -8.909 530 HZ1 LYS 70 HZ1 LYS 70 -11.167 9.146 -11.059 531 HZ2 LYS 70 HZ2 LYS 70 -11.087 9.442 -9.395 532 HZ3 LYS 70 HZ3 LYS 70 -12.201 10.283 -10.350 533 H SER 71 H SER 71 -13.108 6.266 -13.539 534 HA SER 71 HA SER 71 -11.686 4.890 -14.678 535 HB2 SER 71 HB2 SER 71 -11.547 3.757 -12.338 536 HB3 SER 71 HB3 SER 71 -12.585 2.524 -13.055 537 HG SER 71 HG SER 71 -10.961 1.829 -14.211 538 H ASP 72 H ASP 72 -14.369 2.711 -13.802 539 HA ASP 72 HA ASP 72 -15.611 2.863 -16.351 540 HB2 ASP 72 HB2 ASP 72 -13.366 1.230 -16.322 541 HB3 ASP 72 HB3 ASP 72 -14.705 0.104 -16.117 542 H MET 73 H MET 73 -16.255 2.926 -13.507 543 HA MET 73 HA MET 73 -18.494 1.086 -13.588 544 HB2 MET 73 HB2 MET 73 -18.024 0.234 -11.290 545 HB3 MET 73 HB3 MET 73 -16.871 -0.313 -12.499 546 HG2 MET 73 HG2 MET 73 -15.661 1.939 -11.588 547 HG3 MET 73 HG3 MET 73 -16.475 1.363 -10.135 548 HE1 MET 73 HE1 MET 73 -16.451 -1.421 -9.740 549 HE2 MET 73 HE2 MET 73 -16.284 -1.896 -11.430 550 HE3 MET 73 HE3 MET 73 -15.090 -2.424 -10.244 551 H SER 74 H SER 74 -20.169 1.624 -12.100 552 HA SER 74 HA SER 74 -20.504 4.392 -11.702 553 HB2 SER 74 HB2 SER 74 -22.590 3.524 -11.756 554 HB3 SER 74 HB3 SER 74 -22.046 1.949 -11.178 555 HG SER 74 HG SER 74 -23.157 2.639 -9.485 556 H ILE 75 H ILE 75 -20.928 5.469 -9.629 557 HA ILE 75 HA ILE 75 -18.754 5.177 -7.851 558 HB ILE 75 HB ILE 75 -21.328 6.715 -7.496 559 HG12 ILE 75 HG12 ILE 75 -19.418 8.574 -7.911 560 HG13 ILE 75 HG13 ILE 75 -18.749 7.250 -8.858 561 HG21 ILE 75 HG21 ILE 75 -20.462 6.461 -5.333 562 HG22 ILE 75 HG22 ILE 75 -18.798 6.645 -5.885 563 HG23 ILE 75 HG23 ILE 75 -19.879 8.038 -5.864 564 HD11 ILE 75 HD11 ILE 75 -20.532 7.243 -10.334 565 HD12 ILE 75 HD12 ILE 75 -21.592 8.096 -9.211 566 HD13 ILE 75 HD13 ILE 75 -20.278 8.958 -10.012 567 H ALA 76 H ALA 76 -22.086 4.070 -7.754 568 HA ALA 76 HA ALA 76 -22.100 3.263 -5.036 569 HB1 ALA 76 HB1 ALA 76 -23.908 1.632 -6.417 570 HB2 ALA 76 HB2 ALA 76 -24.256 3.126 -5.546 571 HB3 ALA 76 HB3 ALA 76 -23.901 3.175 -7.273 572 H HIS 77 H HIS 77 -21.404 1.559 -8.063 573 HA HIS 77 HA HIS 77 -20.955 -0.960 -6.767 574 HB2 HIS 77 HB2 HIS 77 -20.375 0.025 -9.563 575 HB3 HIS 77 HB3 HIS 77 -20.040 -1.619 -9.027 576 HD1 HIS 77 HD1 HIS 77 -22.444 0.064 -10.894 577 HD2 HIS 77 HD2 HIS 77 -22.694 -2.642 -7.752 578 HE1 HIS 77 HE1 HIS 77 -24.755 -0.917 -11.035 579 H TYR 78 H TYR 78 -18.965 1.721 -7.847 580 HA TYR 78 HA TYR 78 -16.449 0.543 -7.737 581 HB2 TYR 78 HB2 TYR 78 -16.853 2.795 -8.633 582 HB3 TYR 78 HB3 TYR 78 -17.204 3.382 -7.012 583 HD1 TYR 78 HD1 TYR 78 -14.570 2.280 -9.310 584 HD2 TYR 78 HD2 TYR 78 -15.422 3.752 -5.409 585 HE1 TYR 78 HE1 TYR 78 -12.184 2.786 -8.986 586 HE2 TYR 78 HE2 TYR 78 -13.039 4.262 -5.075 587 HH TYR 78 HH TYR 78 -10.603 3.233 -7.348 588 H ASN 79 H ASN 79 -18.470 1.830 -5.163 589 HA ASN 79 HA ASN 79 -16.475 1.670 -3.131 590 HB2 ASN 79 HB2 ASN 79 -19.435 2.111 -3.181 591 HB3 ASN 79 HB3 ASN 79 -18.657 1.715 -1.651 592 HD21 ASN 79 HD21 ASN 79 -19.597 4.176 -3.619 593 HD22 ASN 79 HD22 ASN 79 -18.578 5.433 -3.014 594 H ALA 80 H ALA 80 -18.890 -0.517 -4.406 595 HA ALA 80 HA ALA 80 -18.759 -2.426 -2.302 596 HB1 ALA 80 HB1 ALA 80 -20.098 -3.809 -3.655 597 HB2 ALA 80 HB2 ALA 80 -20.607 -2.160 -4.024 598 HB3 ALA 80 HB3 ALA 80 -19.549 -3.027 -5.138 599 H VAL 81 H VAL 81 -17.350 -2.381 -5.578 600 HA VAL 81 HA VAL 81 -15.898 -4.762 -5.353 601 HB VAL 81 HB VAL 81 -16.320 -3.529 -7.484 602 HG11 VAL 81 HG11 VAL 81 -14.044 -1.782 -6.552 603 HG12 VAL 81 HG12 VAL 81 -14.839 -1.715 -8.127 604 HG13 VAL 81 HG13 VAL 81 -15.733 -1.286 -6.667 605 HG21 VAL 81 HG21 VAL 81 -13.389 -3.849 -7.439 606 HG22 VAL 81 HG22 VAL 81 -14.326 -5.229 -6.865 607 HG23 VAL 81 HG23 VAL 81 -14.597 -4.592 -8.487 608 H HIS 82 H HIS 82 -15.112 -1.469 -4.406 609 HA HIS 82 HA HIS 82 -12.365 -1.932 -3.862 610 HB2 HIS 82 HB2 HIS 82 -13.110 0.324 -4.205 611 HB3 HIS 82 HB3 HIS 82 -14.283 0.194 -2.898 612 HD1 HIS 82 HD1 HIS 82 -13.544 1.299 -0.825 613 HD2 HIS 82 HD2 HIS 82 -10.323 -0.076 -3.061 614 HE1 HIS 82 HE1 HIS 82 -11.492 1.999 0.450 615 H SER 83 H SER 83 -15.306 -2.233 -1.971 616 HA SER 83 HA SER 83 -14.163 -2.463 0.577 617 HB2 SER 83 HB2 SER 83 -16.651 -2.249 -0.101 618 HB3 SER 83 HB3 SER 83 -16.613 -4.006 -0.247 619 HG SER 83 HG SER 83 -16.087 -4.156 1.913 620 H ALA 84 H ALA 84 -14.774 -4.876 -1.928 621 HA ALA 84 HA ALA 84 -13.992 -7.115 -0.350 622 HB1 ALA 84 HB1 ALA 84 -15.369 -7.668 -2.136 623 HB2 ALA 84 HB2 ALA 84 -14.455 -6.680 -3.276 624 HB3 ALA 84 HB3 ALA 84 -13.777 -8.196 -2.683 625 H ALA 85 H ALA 85 -12.345 -5.212 -2.864 626 HA ALA 85 HA ALA 85 -9.946 -6.615 -2.938 627 HB1 ALA 85 HB1 ALA 85 -10.339 -3.649 -3.319 628 HB2 ALA 85 HB2 ALA 85 -8.962 -4.599 -3.878 629 HB3 ALA 85 HB3 ALA 85 -10.563 -4.883 -4.559 630 H LYS 86 H LYS 86 -11.066 -4.154 -0.695 631 HA LYS 86 HA LYS 86 -8.606 -3.625 0.571 632 HB2 LYS 86 HB2 LYS 86 -11.202 -2.691 0.795 633 HB3 LYS 86 HB3 LYS 86 -10.924 -3.484 2.341 634 HG2 LYS 86 HG2 LYS 86 -9.001 -1.483 1.195 635 HG3 LYS 86 HG3 LYS 86 -10.377 -1.015 2.198 636 HD2 LYS 86 HD2 LYS 86 -9.170 -3.083 3.605 637 HD3 LYS 86 HD3 LYS 86 -7.819 -2.143 2.968 638 HE2 LYS 86 HE2 LYS 86 -8.211 -1.028 4.930 639 HE3 LYS 86 HE3 LYS 86 -9.246 -0.114 3.834 640 HZ1 LYS 86 HZ1 LYS 86 -10.108 -2.281 5.672 641 HZ2 LYS 86 HZ2 LYS 86 -11.118 -1.503 4.561 642 HZ3 LYS 86 HZ3 LYS 86 -10.437 -0.630 5.840 643 H THR 87 H THR 87 -11.068 -6.082 1.104 644 HA THR 87 HA THR 87 -9.917 -7.081 3.524 645 HB THR 87 HB THR 87 -11.745 -8.645 1.711 646 HG1 THR 87 HG1 THR 87 -13.281 -7.258 2.125 647 HG21 THR 87 HG21 THR 87 -10.650 -9.641 3.798 648 HG22 THR 87 HG22 THR 87 -12.402 -9.783 3.662 649 HG23 THR 87 HG23 THR 87 -11.696 -8.559 4.716 650 H MET 88 H MET 88 -9.651 -7.880 0.109 651 HA MET 88 HA MET 88 -8.104 -10.262 0.580 652 HB2 MET 88 HB2 MET 88 -8.771 -8.693 -1.909 653 HB3 MET 88 HB3 MET 88 -7.734 -10.114 -1.932 654 HG2 MET 88 HG2 MET 88 -9.532 -11.491 -1.104 655 HG3 MET 88 HG3 MET 88 -10.572 -10.079 -0.935 656 HE1 MET 88 HE1 MET 88 -11.134 -8.497 -3.338 657 HE2 MET 88 HE2 MET 88 -12.186 -9.613 -4.209 658 HE3 MET 88 HE3 MET 88 -12.248 -9.535 -2.448 659 H GLY 89 H GLY 89 -7.469 -6.896 0.271 660 HA2 GLY 89 HA2 GLY 89 -5.499 -5.736 0.569 661 HA3 GLY 89 HA3 GLY 89 -4.700 -7.270 0.877 662 H ILE 90 H ILE 90 -6.502 -6.685 -2.054 663 HA ILE 90 HA ILE 90 -4.013 -6.957 -3.572 664 HB ILE 90 HB ILE 90 -6.847 -7.086 -4.604 665 HG12 ILE 90 HG12 ILE 90 -4.984 -9.373 -3.933 666 HG13 ILE 90 HG13 ILE 90 -6.331 -8.858 -2.923 667 HG21 ILE 90 HG21 ILE 90 -5.780 -6.886 -6.561 668 HG22 ILE 90 HG22 ILE 90 -4.204 -7.207 -5.839 669 HG23 ILE 90 HG23 ILE 90 -5.259 -8.548 -6.284 670 HD11 ILE 90 HD11 ILE 90 -6.417 -10.780 -4.871 671 HD12 ILE 90 HD12 ILE 90 -7.809 -9.958 -4.165 672 HD13 ILE 90 HD13 ILE 90 -7.111 -9.372 -5.674 673 H ASP 91 H ASP 91 -3.429 -5.530 -5.213 674 HA ASP 91 HA ASP 91 -4.800 -2.921 -5.134 675 HB2 ASP 91 HB2 ASP 91 -1.958 -3.654 -4.949 676 HB3 ASP 91 HB3 ASP 91 -2.296 -2.349 -6.082 677 H THR 92 H THR 92 -2.871 -5.078 -7.197 678 HA THR 92 HA THR 92 -4.254 -3.929 -9.534 679 HB THR 92 HB THR 92 -2.304 -4.498 -10.896 680 HG1 THR 92 HG1 THR 92 -0.385 -5.207 -9.798 681 HG21 THR 92 HG21 THR 92 -0.815 -3.064 -8.875 682 HG22 THR 92 HG22 THR 92 -2.460 -2.443 -9.015 683 HG23 THR 92 HG23 THR 92 -1.416 -2.503 -10.434 684 H TRP 93 H TRP 93 -5.904 -5.379 -9.747 685 HA TRP 93 HA TRP 93 -5.145 -8.204 -10.107 686 HB2 TRP 93 HB2 TRP 93 -7.361 -8.834 -9.394 687 HB3 TRP 93 HB3 TRP 93 -6.679 -7.744 -8.190 688 HD1 TRP 93 HD1 TRP 93 -9.438 -7.956 -10.817 689 HE1 TRP 93 HE1 TRP 93 -11.077 -6.004 -10.457 690 HE3 TRP 93 HE3 TRP 93 -6.822 -5.342 -7.288 691 HZ2 TRP 93 HZ2 TRP 93 -11.238 -3.665 -8.885 692 HZ3 TRP 93 HZ3 TRP 93 -7.788 -3.258 -6.407 693 HH2 TRP 93 HH2 TRP 93 -9.950 -2.438 -7.191
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