NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
570009 | 2m1m | 18870 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 HIS 1 HT1 HIS 1 22.220 4.809 -7.644 2 H2 HIS 1 HT2 HIS 1 23.675 4.131 -7.126 3 H3 HIS 1 HT3 HIS 1 23.627 5.747 -7.618 4 HA HIS 1 HA HIS 1 23.733 5.612 -5.230 5 HB2 HIS 1 HB2 HIS 1 21.019 6.477 -6.265 6 HB3 HIS 1 HB1 HIS 1 21.652 6.872 -4.674 7 HD1 HIS 1 HD1 HIS 1 21.263 8.321 -7.868 8 HD2 HIS 1 HD2 HIS 1 24.316 8.318 -5.043 9 HE1 HIS 1 HE1 HIS 1 22.697 10.313 -8.413 10 HE2 HIS 1 HE2 HIS 1 24.596 10.228 -6.764 11 H GLU 2 HN GLU 2 23.821 3.339 -4.696 12 HA GLU 2 HA GLU 2 21.229 2.370 -3.702 13 HB2 GLU 2 HB2 GLU 2 22.111 1.019 -5.613 14 HB3 GLU 2 HB1 GLU 2 23.525 0.637 -4.638 15 HG2 GLU 2 HG2 GLU 2 22.020 -0.385 -2.953 16 HG3 GLU 2 HG1 GLU 2 20.671 -0.106 -4.052 17 H ALA 3 HN ALA 3 21.816 3.602 -1.815 18 HA ALA 3 HA ALA 3 23.475 1.968 -0.018 19 HB1 ALA 3 HB1 ALA 3 24.288 3.976 1.097 20 HB2 ALA 3 HB2 ALA 3 23.408 4.983 -0.052 21 HB3 ALA 3 HB3 ALA 3 24.743 3.972 -0.606 22 H ASP 4 HN ASP 4 20.507 3.124 -0.748 23 HA ASP 4 HA ASP 4 19.618 2.849 2.043 24 HB2 ASP 4 HB2 ASP 4 19.426 5.212 1.194 25 HB3 ASP 4 HB1 ASP 4 18.312 4.624 -0.035 26 H VAL 5 HN VAL 5 19.598 0.588 1.262 27 HA VAL 5 HA VAL 5 16.989 -0.020 0.046 28 HB VAL 5 HB VAL 5 19.553 -1.568 -0.397 29 HG11 VAL 5 HG11 VAL 5 16.759 -2.090 -1.407 30 HG12 VAL 5 HG12 VAL 5 17.648 -3.062 -0.234 31 HG13 VAL 5 HG13 VAL 5 18.205 -2.966 -1.905 32 HG21 VAL 5 HG21 VAL 5 19.257 -0.945 -2.759 33 HG22 VAL 5 HG22 VAL 5 19.493 0.463 -1.723 34 HG23 VAL 5 HG23 VAL 5 17.879 0.060 -2.308 35 H GLY 6 HN GLY 6 15.748 -0.930 1.536 36 HA2 GLY 6 HA2 GLY 6 15.048 -2.308 3.226 37 HA3 GLY 6 HA1 GLY 6 16.586 -3.167 3.089 38 H GLY 7 HN GLY 7 14.828 -0.641 4.666 39 HA2 GLY 7 HA2 GLY 7 16.703 -0.651 6.871 40 HA3 GLY 7 HA1 GLY 7 16.614 0.875 5.996 41 H ILE 8 HN ILE 8 14.033 1.157 5.369 42 HA ILE 8 HA ILE 8 12.737 1.255 7.974 43 HB ILE 8 HB ILE 8 11.933 2.514 5.354 44 HG12 ILE 8 HG12 ILE 8 12.271 4.582 6.904 45 HG13 ILE 8 HG11 ILE 8 13.168 3.456 7.912 46 HG21 ILE 8 HG21 ILE 8 10.566 2.658 8.048 47 HG22 ILE 8 HG22 ILE 8 9.933 1.877 6.598 48 HG23 ILE 8 HG23 ILE 8 10.147 3.627 6.634 49 HD11 ILE 8 HD11 ILE 8 14.681 2.990 6.106 50 HD12 ILE 8 HD12 ILE 8 14.640 4.718 6.470 51 HD13 ILE 8 HD13 ILE 8 13.786 4.092 5.054 52 H PHE 9 HN PHE 9 11.731 -0.499 8.522 53 HA PHE 9 HA PHE 9 10.644 -2.249 6.475 54 HB2 PHE 9 HB2 PHE 9 11.061 -2.658 9.439 55 HB3 PHE 9 HB1 PHE 9 10.415 -3.875 8.342 56 HD1 PHE 9 HD2 PHE 9 11.871 -4.590 6.378 57 HD2 PHE 9 HD1 PHE 9 13.366 -2.421 9.721 58 HE1 PHE 9 HE2 PHE 9 14.158 -5.299 5.811 59 HE2 PHE 9 HE1 PHE 9 15.654 -3.125 9.158 60 HZ PHE 9 HZ PHE 9 16.052 -4.566 7.202 61 H VAL 10 HN VAL 10 8.549 -2.811 6.301 62 HA VAL 10 HA VAL 10 6.664 -1.106 7.787 63 HB VAL 10 HB VAL 10 5.674 -2.147 5.268 64 HG11 VAL 10 HG11 VAL 10 4.845 0.085 4.973 65 HG12 VAL 10 HG12 VAL 10 5.902 0.685 6.260 66 HG13 VAL 10 HG13 VAL 10 4.582 -0.423 6.643 67 HG21 VAL 10 HG21 VAL 10 8.019 -0.261 5.179 68 HG22 VAL 10 HG22 VAL 10 6.943 -0.590 3.819 69 HG23 VAL 10 HG23 VAL 10 7.939 -1.883 4.488 70 H LYS 11 HN LYS 11 4.831 -2.057 8.500 71 HA LYS 11 HA LYS 11 4.935 -4.983 8.529 72 HB2 LYS 11 HB2 LYS 11 3.661 -3.138 10.553 73 HB3 LYS 11 HB1 LYS 11 3.797 -4.881 10.686 74 HG2 LYS 11 HG2 LYS 11 5.506 -4.135 12.057 75 HG3 LYS 11 HG1 LYS 11 6.346 -4.469 10.540 76 HD2 LYS 11 HD2 LYS 11 6.193 -2.072 9.964 77 HD3 LYS 11 HD1 LYS 11 5.444 -1.764 11.533 78 HE2 LYS 11 HE2 LYS 11 7.425 -2.510 12.678 79 HE3 LYS 11 HE1 LYS 11 8.164 -3.009 11.159 80 HZ1 LYS 11 HZ1 LYS 11 7.464 -0.214 11.882 81 HZ2 LYS 11 HZ2 LYS 11 8.234 -0.712 10.457 82 HZ3 LYS 11 HZ3 LYS 11 9.015 -0.881 11.946 83 H VAL 12 HN VAL 12 3.225 -6.106 7.775 84 HA VAL 12 HA VAL 12 0.958 -4.469 6.836 85 HB VAL 12 HB VAL 12 1.658 -4.759 4.744 86 HG11 VAL 12 HG11 VAL 12 3.580 -6.799 5.843 87 HG12 VAL 12 HG12 VAL 12 3.901 -5.110 5.414 88 HG13 VAL 12 HG13 VAL 12 3.543 -6.288 4.150 89 HG21 VAL 12 HG21 VAL 12 1.167 -7.701 5.202 90 HG22 VAL 12 HG22 VAL 12 1.326 -6.920 3.629 91 HG23 VAL 12 HG23 VAL 12 -0.030 -6.513 4.682 92 H SER 13 HN SER 13 -1.021 -5.240 7.023 93 HA SER 13 HA SER 13 -1.399 -7.960 8.076 94 HB2 SER 13 HB2 SER 13 -2.813 -5.509 9.148 95 HB3 SER 13 HB1 SER 13 -2.817 -7.136 9.826 96 HG SER 13 HG SER 13 -0.798 -6.862 10.566 97 H MET 14 HN MET 14 -3.562 -8.805 7.774 98 HA MET 14 HA MET 14 -5.035 -7.461 5.600 99 HB2 MET 14 HB2 MET 14 -4.117 -9.538 4.813 100 HB3 MET 14 HB1 MET 14 -4.710 -10.402 6.225 101 HG2 MET 14 HG2 MET 14 -5.999 -10.811 4.140 102 HG3 MET 14 HG1 MET 14 -6.967 -10.213 5.485 103 HE1 MET 14 HE1 MET 14 -5.616 -7.573 1.969 104 HE2 MET 14 HE2 MET 14 -5.147 -9.267 2.153 105 HE3 MET 14 HE3 MET 14 -4.545 -8.052 3.284 106 H ASP 15 HN ASP 15 -7.321 -7.463 5.674 107 HA ASP 15 HA ASP 15 -8.407 -7.933 8.376 108 HB2 ASP 15 HB2 ASP 15 -8.221 -5.505 7.453 109 HB3 ASP 15 HB1 ASP 15 -9.592 -5.960 6.450 110 H GLY 16 HN GLY 16 -10.386 -8.930 8.556 111 HA2 GLY 16 HA2 GLY 16 -12.327 -10.016 7.846 112 HA3 GLY 16 HA1 GLY 16 -11.890 -9.660 6.179 113 H ALA 17 HN ALA 17 -9.251 -10.689 6.316 114 HA ALA 17 HA ALA 17 -9.585 -13.493 7.139 115 HB1 ALA 17 HB1 ALA 17 -9.804 -13.397 4.700 116 HB2 ALA 17 HB2 ALA 17 -8.321 -14.227 5.178 117 HB3 ALA 17 HB3 ALA 17 -8.253 -12.563 4.591 118 HA PRO 18 HA PRO 18 -5.807 -12.553 9.221 119 HB2 PRO 18 HB2 PRO 18 -5.006 -15.036 9.889 120 HB3 PRO 18 HB1 PRO 18 -6.417 -14.275 10.632 121 HG2 PRO 18 HG2 PRO 18 -6.303 -16.295 8.431 122 HG3 PRO 18 HG1 PRO 18 -7.395 -16.217 9.808 123 HD2 PRO 18 HD2 PRO 18 -8.056 -15.378 7.297 124 HD3 PRO 18 HD1 PRO 18 -8.789 -14.726 8.776 125 H TYR 19 HN TYR 19 -3.975 -11.905 8.288 126 HA TYR 19 HA TYR 19 -2.254 -13.853 7.020 127 HB2 TYR 19 HB2 TYR 19 -3.243 -11.409 5.556 128 HB3 TYR 19 HB1 TYR 19 -1.722 -12.184 5.147 129 HD1 TYR 19 HD2 TYR 19 -1.707 -14.428 4.140 130 HD2 TYR 19 HD1 TYR 19 -5.349 -12.383 4.931 131 HE1 TYR 19 HE2 TYR 19 -2.890 -15.960 2.627 132 HE2 TYR 19 HE1 TYR 19 -6.543 -13.904 3.415 133 HH TYR 19 HH TYR 19 -6.018 -15.370 1.482 134 H LEU 20 HN LEU 20 -0.121 -13.390 7.249 135 HA LEU 20 HA LEU 20 0.535 -10.822 8.510 136 HB2 LEU 20 HB2 LEU 20 1.577 -13.535 9.314 137 HB3 LEU 20 HB1 LEU 20 2.143 -12.008 9.961 138 HG LEU 20 HG LEU 20 -0.450 -11.765 10.563 139 HD11 LEU 20 HD11 LEU 20 -1.106 -13.882 9.578 140 HD12 LEU 20 HD12 LEU 20 -1.347 -13.904 11.325 141 HD13 LEU 20 HD13 LEU 20 0.037 -14.735 10.616 142 HD21 LEU 20 HD21 LEU 20 1.404 -11.584 12.128 143 HD22 LEU 20 HD22 LEU 20 1.564 -13.341 12.161 144 HD23 LEU 20 HD23 LEU 20 0.112 -12.576 12.802 145 H ARG 21 HN ARG 21 1.607 -9.857 6.937 146 HA ARG 21 HA ARG 21 3.971 -11.226 5.855 147 HB2 ARG 21 HB2 ARG 21 1.825 -9.766 4.418 148 HB3 ARG 21 HB1 ARG 21 3.471 -9.431 3.900 149 HG2 ARG 21 HG2 ARG 21 2.499 -11.177 2.541 150 HG3 ARG 21 HG1 ARG 21 3.825 -11.827 3.501 151 HD2 ARG 21 HD2 ARG 21 2.168 -12.684 5.124 152 HD3 ARG 21 HD1 ARG 21 0.879 -12.109 4.070 153 HE ARG 21 HE ARG 21 1.765 -13.683 2.375 154 HH11 ARG 21 HH11 ARG 21 2.576 -14.214 5.749 155 HH12 ARG 21 HH12 ARG 21 2.741 -15.933 5.560 156 HH21 ARG 21 HH21 ARG 21 1.976 -15.940 2.144 157 HH22 ARG 21 HH22 ARG 21 2.395 -16.910 3.521 158 H LYS 22 HN LYS 22 5.677 -9.640 5.161 159 HA LYS 22 HA LYS 22 5.506 -6.976 6.288 160 HB2 LYS 22 HB2 LYS 22 6.452 -8.972 7.913 161 HB3 LYS 22 HB1 LYS 22 7.926 -8.308 7.221 162 HG2 LYS 22 HG2 LYS 22 7.680 -7.095 9.151 163 HG3 LYS 22 HG1 LYS 22 6.916 -6.045 7.956 164 HD2 LYS 22 HD2 LYS 22 5.514 -6.150 9.903 165 HD3 LYS 22 HD1 LYS 22 4.729 -7.010 8.580 166 HE2 LYS 22 HE2 LYS 22 6.409 -8.525 10.521 167 HE3 LYS 22 HE1 LYS 22 4.782 -8.028 10.985 168 HZ1 LYS 22 HZ1 LYS 22 5.624 -9.952 8.943 169 HZ2 LYS 22 HZ2 LYS 22 4.199 -9.073 8.676 170 HZ3 LYS 22 HZ3 LYS 22 4.355 -10.043 10.059 171 H ILE 23 HN ILE 23 7.035 -5.602 5.400 172 HA ILE 23 HA ILE 23 9.046 -6.618 3.594 173 HB ILE 23 HB ILE 23 8.072 -5.099 1.724 174 HG12 ILE 23 HG12 ILE 23 5.753 -5.516 3.553 175 HG13 ILE 23 HG11 ILE 23 6.233 -4.075 2.679 176 HG21 ILE 23 HG21 ILE 23 6.816 -7.014 0.803 177 HG22 ILE 23 HG22 ILE 23 6.956 -7.815 2.367 178 HG23 ILE 23 HG23 ILE 23 8.405 -7.446 1.432 179 HD11 ILE 23 HD11 ILE 23 4.150 -5.055 1.827 180 HD12 ILE 23 HD12 ILE 23 5.033 -6.525 1.417 181 HD13 ILE 23 HD13 ILE 23 5.424 -5.009 0.610 182 H ASP 24 HN ASP 24 9.995 -4.704 2.322 183 HA ASP 24 HA ASP 24 10.343 -2.438 4.183 184 HB2 ASP 24 HB2 ASP 24 12.398 -3.648 4.146 185 HB3 ASP 24 HB1 ASP 24 12.335 -3.839 2.398 186 H LEU 25 HN LEU 25 10.608 -0.359 3.277 187 HA LEU 25 HA LEU 25 8.890 0.047 1.023 188 HB2 LEU 25 HB2 LEU 25 10.492 1.942 2.685 189 HB3 LEU 25 HB1 LEU 25 9.445 2.462 1.387 190 HG LEU 25 HG LEU 25 8.447 0.882 3.746 191 HD11 LEU 25 HD11 LEU 25 7.663 2.994 4.675 192 HD12 LEU 25 HD12 LEU 25 8.482 3.870 3.382 193 HD13 LEU 25 HD13 LEU 25 9.422 2.955 4.562 194 HD21 LEU 25 HD21 LEU 25 6.276 1.870 3.064 195 HD22 LEU 25 HD22 LEU 25 6.978 0.807 1.839 196 HD23 LEU 25 HD23 LEU 25 7.075 2.558 1.647 197 H ARG 26 HN ARG 26 12.352 0.306 1.563 198 HA ARG 26 HA ARG 26 12.959 1.720 -0.797 199 HB2 ARG 26 HB2 ARG 26 14.544 0.226 1.225 200 HB3 ARG 26 HB1 ARG 26 15.269 0.861 -0.236 201 HG2 ARG 26 HG2 ARG 26 15.613 2.379 1.559 202 HG3 ARG 26 HG1 ARG 26 14.551 3.087 0.356 203 HD2 ARG 26 HD2 ARG 26 12.636 2.527 1.793 204 HD3 ARG 26 HD1 ARG 26 13.771 1.938 3.013 205 HE ARG 26 HE ARG 26 14.695 4.419 2.514 206 HH11 ARG 26 HH11 ARG 26 11.544 3.192 3.406 207 HH12 ARG 26 HH12 ARG 26 11.011 4.689 4.100 208 HH21 ARG 26 HH21 ARG 26 14.039 6.364 3.486 209 HH22 ARG 26 HH22 ARG 26 12.457 6.488 4.185 210 H VAL 27 HN VAL 27 12.682 -1.698 -0.123 211 HA VAL 27 HA VAL 27 14.540 -2.618 -2.017 212 HB VAL 27 HB VAL 27 13.469 -4.814 -1.827 213 HG11 VAL 27 HG11 VAL 27 15.087 -4.133 -0.159 214 HG12 VAL 27 HG12 VAL 27 13.820 -5.108 0.586 215 HG13 VAL 27 HG13 VAL 27 13.819 -3.356 0.787 216 HG21 VAL 27 HG21 VAL 27 11.549 -5.125 -0.341 217 HG22 VAL 27 HG22 VAL 27 11.141 -4.122 -1.733 218 HG23 VAL 27 HG23 VAL 27 11.411 -3.376 -0.157 219 H TYR 28 HN TYR 28 11.731 -1.028 -2.760 220 HA TYR 28 HA TYR 28 11.217 -2.615 -5.168 221 HB2 TYR 28 HB2 TYR 28 9.689 -0.240 -4.096 222 HB3 TYR 28 HB1 TYR 28 9.185 -1.313 -5.402 223 HD1 TYR 28 HD1 TYR 28 9.055 -3.843 -4.769 224 HD2 TYR 28 HD2 TYR 28 8.928 -0.657 -1.953 225 HE1 TYR 28 HE1 TYR 28 7.981 -5.332 -3.147 226 HE2 TYR 28 HE2 TYR 28 7.835 -2.143 -0.322 227 HH TYR 28 HH TYR 28 6.546 -4.183 -0.276 228 H GLY 29 HN GLY 29 12.527 0.397 -4.116 229 HA2 GLY 29 HA2 GLY 29 13.586 2.113 -5.188 230 HA3 GLY 29 HA1 GLY 29 13.915 0.952 -6.461 231 H GLY 30 HN GLY 30 10.580 1.405 -5.911 232 HA2 GLY 30 HA2 GLY 30 9.919 3.719 -7.223 233 HA3 GLY 30 HA1 GLY 30 10.244 2.560 -8.503 234 H TYR 31 HN TYR 31 7.804 3.564 -8.465 235 HA TYR 31 HA TYR 31 5.956 2.242 -6.763 236 HB2 TYR 31 HB2 TYR 31 5.838 4.176 -8.950 237 HB3 TYR 31 HB1 TYR 31 4.456 3.084 -8.896 238 HD1 TYR 31 HD1 TYR 31 6.378 5.567 -6.944 239 HD2 TYR 31 HD2 TYR 31 2.815 3.266 -7.213 240 HE1 TYR 31 HE1 TYR 31 5.407 6.863 -5.096 241 HE2 TYR 31 HE2 TYR 31 1.834 4.559 -5.376 242 HH TYR 31 HH TYR 31 3.255 7.446 -4.181 243 H SER 32 HN SER 32 7.319 1.428 -9.879 244 HA SER 32 HA SER 32 5.339 -0.264 -10.860 245 HB2 SER 32 HB2 SER 32 7.280 -1.412 -12.055 246 HB3 SER 32 HB1 SER 32 7.110 0.324 -12.325 247 HG SER 32 HG SER 32 9.156 0.291 -11.769 248 H GLU 33 HN GLU 33 8.210 -1.141 -8.944 249 HA GLU 33 HA GLU 33 7.374 -3.842 -8.656 250 HB2 GLU 33 HB2 GLU 33 9.526 -2.205 -7.344 251 HB3 GLU 33 HB1 GLU 33 9.229 -3.882 -6.923 252 HG2 GLU 33 HG2 GLU 33 9.525 -4.417 -9.372 253 HG3 GLU 33 HG1 GLU 33 10.115 -2.767 -9.563 254 H LEU 34 HN LEU 34 6.895 -0.923 -6.833 255 HA LEU 34 HA LEU 34 6.046 -1.983 -4.392 256 HB2 LEU 34 HB2 LEU 34 6.369 0.422 -4.774 257 HB3 LEU 34 HB1 LEU 34 4.993 0.440 -5.861 258 HG LEU 34 HG LEU 34 3.622 -0.365 -3.842 259 HD11 LEU 34 HD11 LEU 34 5.505 -0.974 -2.422 260 HD12 LEU 34 HD12 LEU 34 4.500 0.259 -1.661 261 HD13 LEU 34 HD13 LEU 34 6.038 0.708 -2.400 262 HD21 LEU 34 HD21 LEU 34 3.357 1.833 -4.778 263 HD22 LEU 34 HD22 LEU 34 4.798 2.405 -3.942 264 HD23 LEU 34 HD23 LEU 34 3.368 1.951 -3.018 265 H LEU 35 HN LEU 35 4.107 -1.128 -7.255 266 HA LEU 35 HA LEU 35 1.675 -2.161 -6.270 267 HB2 LEU 35 HB2 LEU 35 2.616 -1.658 -9.091 268 HB3 LEU 35 HB1 LEU 35 0.964 -2.004 -8.642 269 HG LEU 35 HG LEU 35 2.521 0.408 -7.719 270 HD11 LEU 35 HD11 LEU 35 0.377 0.166 -9.823 271 HD12 LEU 35 HD12 LEU 35 2.084 0.503 -10.110 272 HD13 LEU 35 HD13 LEU 35 1.088 1.672 -9.243 273 HD21 LEU 35 HD21 LEU 35 0.815 -0.252 -6.125 274 HD22 LEU 35 HD22 LEU 35 -0.386 -0.329 -7.412 275 HD23 LEU 35 HD23 LEU 35 0.328 1.220 -6.964 276 H LYS 36 HN LYS 36 4.256 -3.502 -8.194 277 HA LYS 36 HA LYS 36 2.961 -5.871 -9.016 278 HB2 LYS 36 HB2 LYS 36 5.086 -4.752 -9.947 279 HB3 LYS 36 HB1 LYS 36 5.935 -5.547 -8.632 280 HG2 LYS 36 HG2 LYS 36 4.264 -7.112 -10.561 281 HG3 LYS 36 HG1 LYS 36 5.923 -6.655 -10.937 282 HD2 LYS 36 HD2 LYS 36 6.706 -7.812 -8.937 283 HD3 LYS 36 HD1 LYS 36 5.045 -8.241 -8.526 284 HE2 LYS 36 HE2 LYS 36 6.208 -10.106 -9.581 285 HE3 LYS 36 HE1 LYS 36 4.864 -9.547 -10.571 286 HZ1 LYS 36 HZ1 LYS 36 7.704 -8.811 -11.003 287 HZ2 LYS 36 HZ2 LYS 36 6.399 -8.385 -11.991 288 HZ3 LYS 36 HZ3 LYS 36 6.873 -10.002 -11.866 289 H ALA 37 HN ALA 37 4.800 -4.986 -6.179 290 HA ALA 37 HA ALA 37 5.250 -7.554 -5.137 291 HB1 ALA 37 HB1 ALA 37 5.686 -6.450 -3.034 292 HB2 ALA 37 HB2 ALA 37 4.902 -4.981 -3.614 293 HB3 ALA 37 HB3 ALA 37 6.403 -5.531 -4.357 294 H LEU 38 HN LEU 38 2.552 -5.316 -4.779 295 HA LEU 38 HA LEU 38 1.196 -6.676 -2.700 296 HB2 LEU 38 HB2 LEU 38 -0.475 -5.364 -4.737 297 HB3 LEU 38 HB1 LEU 38 -0.460 -5.164 -2.997 298 HG LEU 38 HG LEU 38 1.671 -3.987 -4.751 299 HD11 LEU 38 HD11 LEU 38 0.378 -1.891 -4.653 300 HD12 LEU 38 HD12 LEU 38 -0.960 -2.785 -3.933 301 HD13 LEU 38 HD13 LEU 38 -0.428 -3.165 -5.572 302 HD21 LEU 38 HD21 LEU 38 2.164 -4.133 -2.360 303 HD22 LEU 38 HD22 LEU 38 0.660 -3.286 -1.993 304 HD23 LEU 38 HD23 LEU 38 1.951 -2.457 -2.865 305 H GLU 39 HN GLU 39 0.754 -6.666 -6.204 306 HA GLU 39 HA GLU 39 -1.136 -8.660 -6.483 307 HB2 GLU 39 HB2 GLU 39 1.266 -8.352 -8.285 308 HB3 GLU 39 HB1 GLU 39 -0.328 -8.955 -8.717 309 HG2 GLU 39 HG2 GLU 39 -1.259 -6.717 -8.271 310 HG3 GLU 39 HG1 GLU 39 0.373 -6.134 -7.951 311 H THR 40 HN THR 40 2.274 -8.881 -5.814 312 HA THR 40 HA THR 40 2.515 -11.703 -6.184 313 HB THR 40 HB THR 40 4.227 -9.666 -4.758 314 HG1 THR 40 HG1 THR 40 4.189 -9.506 -7.041 315 HG21 THR 40 HG21 THR 40 4.551 -11.832 -3.708 316 HG22 THR 40 HG22 THR 40 5.973 -11.373 -4.655 317 HG23 THR 40 HG23 THR 40 4.841 -12.568 -5.289 318 H MET 41 HN MET 41 1.778 -9.586 -3.474 319 HA MET 41 HA MET 41 2.585 -11.241 -1.391 320 HB2 MET 41 HB2 MET 41 0.347 -9.207 -1.359 321 HB3 MET 41 HB1 MET 41 1.182 -9.842 0.046 322 HG2 MET 41 HG2 MET 41 2.392 -8.158 -2.131 323 HG3 MET 41 HG1 MET 41 1.946 -7.610 -0.519 324 HE1 MET 41 HE1 MET 41 3.362 -7.848 1.554 325 HE2 MET 41 HE2 MET 41 4.579 -9.104 1.788 326 HE3 MET 41 HE3 MET 41 2.892 -9.546 1.530 327 H PHE 42 HN PHE 42 -0.724 -10.741 -2.622 328 HA PHE 42 HA PHE 42 -1.566 -13.091 -1.073 329 HB2 PHE 42 HB2 PHE 42 -3.744 -11.595 -2.274 330 HB3 PHE 42 HB1 PHE 42 -3.455 -11.990 -0.585 331 HD1 PHE 42 HD2 PHE 42 -2.254 -10.443 0.872 332 HD2 PHE 42 HD1 PHE 42 -3.045 -9.495 -3.200 333 HE1 PHE 42 HE2 PHE 42 -1.704 -8.091 1.315 334 HE2 PHE 42 HE1 PHE 42 -2.495 -7.148 -2.760 335 HZ PHE 42 HZ PHE 42 -1.832 -6.454 -0.515 336 H LYS 43 HN LYS 43 -0.394 -12.640 -3.920 337 HA LYS 43 HA LYS 43 -0.419 -13.749 -5.899 338 HB2 LYS 43 HB2 LYS 43 -2.232 -15.713 -4.487 339 HB3 LYS 43 HB1 LYS 43 -1.331 -16.011 -5.965 340 HG2 LYS 43 HG2 LYS 43 0.198 -16.924 -4.619 341 HG3 LYS 43 HG1 LYS 43 0.648 -15.259 -4.241 342 HD2 LYS 43 HD2 LYS 43 -0.800 -15.268 -2.303 343 HD3 LYS 43 HD1 LYS 43 -1.378 -16.887 -2.705 344 HE2 LYS 43 HE2 LYS 43 1.469 -16.164 -2.014 345 HE3 LYS 43 HE1 LYS 43 0.310 -16.903 -0.911 346 HZ1 LYS 43 HZ1 LYS 43 1.741 -18.573 -1.845 347 HZ2 LYS 43 HZ2 LYS 43 1.359 -18.102 -3.419 348 HZ3 LYS 43 HZ3 LYS 43 0.175 -18.803 -2.436 349 H LEU 44 HN LEU 44 -1.986 -11.656 -6.085 350 HA LEU 44 HA LEU 44 -4.029 -12.511 -7.923 351 HB2 LEU 44 HB2 LEU 44 -5.782 -11.071 -6.824 352 HB3 LEU 44 HB1 LEU 44 -5.420 -12.592 -6.041 353 HG LEU 44 HG LEU 44 -3.830 -11.128 -4.560 354 HD11 LEU 44 HD11 LEU 44 -4.748 -8.880 -4.181 355 HD12 LEU 44 HD12 LEU 44 -5.813 -9.096 -5.570 356 HD13 LEU 44 HD13 LEU 44 -4.064 -9.063 -5.796 357 HD21 LEU 44 HD21 LEU 44 -6.826 -11.090 -4.294 358 HD22 LEU 44 HD22 LEU 44 -5.670 -10.807 -2.993 359 HD23 LEU 44 HD23 LEU 44 -5.751 -12.386 -3.776 360 H THR 45 HN THR 45 -5.333 -10.050 -8.270 361 HA THR 45 HA THR 45 -3.056 -8.366 -9.091 362 HB THR 45 HB THR 45 -5.692 -8.707 -10.533 363 HG1 THR 45 HG1 THR 45 -4.042 -10.473 -10.595 364 HG21 THR 45 HG21 THR 45 -4.719 -6.463 -10.799 365 HG22 THR 45 HG22 THR 45 -4.662 -7.380 -12.304 366 HG23 THR 45 HG23 THR 45 -3.203 -7.191 -11.331 367 H ILE 46 HN ILE 46 -2.974 -6.547 -7.976 368 HA ILE 46 HA ILE 46 -5.322 -5.339 -6.800 369 HB ILE 46 HB ILE 46 -2.455 -4.368 -6.869 370 HG12 ILE 46 HG12 ILE 46 -2.549 -6.413 -5.605 371 HG13 ILE 46 HG11 ILE 46 -2.475 -5.081 -4.455 372 HG21 ILE 46 HG21 ILE 46 -4.772 -3.420 -5.184 373 HG22 ILE 46 HG22 ILE 46 -4.093 -2.558 -6.565 374 HG23 ILE 46 HG23 ILE 46 -3.116 -2.817 -5.116 375 HD11 ILE 46 HD11 ILE 46 -4.895 -5.239 -4.148 376 HD12 ILE 46 HD12 ILE 46 -4.058 -6.731 -3.724 377 HD13 ILE 46 HD13 ILE 46 -4.925 -6.613 -5.252 378 H GLY 47 HN GLY 47 -6.422 -3.640 -7.619 379 HA2 GLY 47 HA2 GLY 47 -5.799 -2.613 -10.204 380 HA3 GLY 47 HA1 GLY 47 -7.044 -2.007 -9.134 381 H GLU 48 HN GLU 48 -5.046 -0.651 -10.775 382 HA GLU 48 HA GLU 48 -2.978 0.396 -9.090 383 HB2 GLU 48 HB2 GLU 48 -4.002 1.358 -11.755 384 HB3 GLU 48 HB1 GLU 48 -2.499 1.850 -10.988 385 HG2 GLU 48 HG2 GLU 48 -1.512 -0.234 -11.307 386 HG3 GLU 48 HG1 GLU 48 -3.062 -1.020 -11.609 387 H TYR 49 HN TYR 49 -2.694 2.846 -8.987 388 HA TYR 49 HA TYR 49 -4.957 3.929 -7.592 389 HB2 TYR 49 HB2 TYR 49 -2.539 4.372 -6.955 390 HB3 TYR 49 HB1 TYR 49 -2.442 5.424 -8.363 391 HD1 TYR 49 HD1 TYR 49 -4.025 4.954 -5.090 392 HD2 TYR 49 HD2 TYR 49 -3.425 7.632 -8.323 393 HE1 TYR 49 HE1 TYR 49 -4.986 6.749 -3.735 394 HE2 TYR 49 HE2 TYR 49 -4.367 9.466 -6.980 395 HH TYR 49 HH TYR 49 -5.847 9.781 -5.082 396 H SER 50 HN SER 50 -6.409 3.773 -9.424 397 HA SER 50 HA SER 50 -6.317 5.411 -11.675 398 HB2 SER 50 HB2 SER 50 -8.813 4.877 -10.102 399 HB3 SER 50 HB1 SER 50 -8.634 5.000 -11.847 400 HG SER 50 HG SER 50 -7.546 3.033 -11.850 401 H GLU 51 HN GLU 51 -6.440 7.629 -11.883 402 HA GLU 51 HA GLU 51 -6.008 9.098 -9.501 403 HB2 GLU 51 HB2 GLU 51 -6.459 10.078 -12.320 404 HB3 GLU 51 HB1 GLU 51 -5.893 11.072 -10.985 405 HG2 GLU 51 HG2 GLU 51 -3.922 9.605 -10.770 406 HG3 GLU 51 HG1 GLU 51 -4.476 8.699 -12.177 407 H ARG 52 HN ARG 52 -8.862 8.179 -11.023 408 HA ARG 52 HA ARG 52 -10.388 10.456 -10.247 409 HB2 ARG 52 HB2 ARG 52 -12.342 9.092 -10.967 410 HB3 ARG 52 HB1 ARG 52 -11.095 9.291 -12.185 411 HG2 ARG 52 HG2 ARG 52 -11.456 7.096 -12.483 412 HG3 ARG 52 HG1 ARG 52 -10.308 6.958 -11.154 413 HD2 ARG 52 HD2 ARG 52 -12.059 6.669 -9.568 414 HD3 ARG 52 HD1 ARG 52 -13.291 7.066 -10.768 415 HE ARG 52 HE ARG 52 -11.590 4.706 -11.170 416 HH11 ARG 52 HH11 ARG 52 -14.774 6.083 -10.660 417 HH12 ARG 52 HH12 ARG 52 -15.599 4.586 -10.952 418 HH21 ARG 52 HH21 ARG 52 -12.677 2.756 -11.578 419 HH22 ARG 52 HH22 ARG 52 -14.409 2.693 -11.468 420 H GLU 53 HN GLU 53 -10.170 7.104 -8.947 421 HA GLU 53 HA GLU 53 -11.375 8.195 -6.486 422 HB2 GLU 53 HB2 GLU 53 -11.668 5.479 -7.730 423 HB3 GLU 53 HB1 GLU 53 -12.030 5.761 -6.035 424 HG2 GLU 53 HG2 GLU 53 -13.725 7.362 -6.624 425 HG3 GLU 53 HG1 GLU 53 -13.332 7.188 -8.330 426 H GLY 54 HN GLY 54 -8.887 6.324 -7.873 427 HA2 GLY 54 HA2 GLY 54 -7.092 5.142 -7.140 428 HA3 GLY 54 HA1 GLY 54 -6.851 6.578 -6.186 429 H TYR 55 HN TYR 55 -9.625 4.816 -5.171 430 HA TYR 55 HA TYR 55 -7.926 3.494 -3.166 431 HB2 TYR 55 HB2 TYR 55 -10.632 4.734 -2.662 432 HB3 TYR 55 HB1 TYR 55 -9.657 3.881 -1.477 433 HD1 TYR 55 HD1 TYR 55 -6.999 5.229 -2.664 434 HD2 TYR 55 HD2 TYR 55 -10.729 6.694 -1.206 435 HE1 TYR 55 HE1 TYR 55 -5.933 7.350 -2.040 436 HE2 TYR 55 HE2 TYR 55 -9.661 8.813 -0.584 437 HH TYR 55 HH TYR 55 -6.532 9.681 -1.607 438 H LYS 56 HN LYS 56 -9.814 2.928 -5.703 439 HA LYS 56 HA LYS 56 -11.727 1.098 -4.769 440 HB2 LYS 56 HB2 LYS 56 -11.157 0.324 -7.391 441 HB3 LYS 56 HB1 LYS 56 -12.434 1.394 -6.856 442 HG2 LYS 56 HG2 LYS 56 -11.362 2.568 -8.556 443 HG3 LYS 56 HG1 LYS 56 -10.734 3.281 -7.074 444 HD2 LYS 56 HD2 LYS 56 -8.954 2.940 -8.708 445 HD3 LYS 56 HD1 LYS 56 -8.699 1.925 -7.289 446 HE2 LYS 56 HE2 LYS 56 -9.585 0.003 -8.475 447 HE3 LYS 56 HE1 LYS 56 -9.958 1.007 -9.873 448 HZ1 LYS 56 HZ1 LYS 56 -7.920 -0.259 -10.172 449 HZ2 LYS 56 HZ2 LYS 56 -7.229 0.481 -8.814 450 HZ3 LYS 56 HZ3 LYS 56 -7.607 1.403 -10.184 451 H GLY 57 HN GLY 57 -8.568 0.503 -6.288 452 HA2 GLY 57 HA2 GLY 57 -7.159 -1.297 -6.236 453 HA3 GLY 57 HA1 GLY 57 -7.839 -1.621 -4.652 454 H SER 58 HN SER 58 -10.195 -1.656 -7.072 455 HA SER 58 HA SER 58 -11.562 -3.260 -7.856 456 HB2 SER 58 HB2 SER 58 -9.563 -4.078 -9.077 457 HB3 SER 58 HB1 SER 58 -9.164 -5.103 -7.700 458 HG SER 58 HG SER 58 -10.296 -6.416 -9.004 459 H GLU 59 HN GLU 59 -9.607 -5.498 -5.905 460 HA GLU 59 HA GLU 59 -11.916 -5.744 -4.098 461 HB2 GLU 59 HB2 GLU 59 -11.509 -7.751 -5.523 462 HB3 GLU 59 HB1 GLU 59 -9.928 -7.916 -4.763 463 HG2 GLU 59 HG2 GLU 59 -10.938 -8.265 -2.620 464 HG3 GLU 59 HG1 GLU 59 -12.536 -7.944 -3.272 465 H TYR 60 HN TYR 60 -8.617 -4.947 -4.350 466 HA TYR 60 HA TYR 60 -8.467 -4.832 -1.426 467 HB2 TYR 60 HB2 TYR 60 -6.420 -6.068 -3.253 468 HB3 TYR 60 HB1 TYR 60 -5.965 -5.412 -1.690 469 HD1 TYR 60 HD1 TYR 60 -6.896 -6.391 0.360 470 HD2 TYR 60 HD2 TYR 60 -7.571 -8.177 -3.433 471 HE1 TYR 60 HE1 TYR 60 -7.586 -8.446 1.478 472 HE2 TYR 60 HE2 TYR 60 -8.263 -10.264 -2.331 473 HH TYR 60 HH TYR 60 -8.004 -11.408 -0.211 474 H ALA 61 HN ALA 61 -7.956 -2.889 -0.745 475 HA ALA 61 HA ALA 61 -6.568 -1.059 -2.574 476 HB1 ALA 61 HB1 ALA 61 -8.692 -0.215 -1.755 477 HB2 ALA 61 HB2 ALA 61 -7.366 0.739 -1.089 478 HB3 ALA 61 HB3 ALA 61 -8.172 -0.472 -0.090 479 HA PRO 62 HA PRO 62 -3.033 -1.873 0.185 480 HB2 PRO 62 HB2 PRO 62 -1.289 -0.521 -1.451 481 HB3 PRO 62 HB1 PRO 62 -1.674 -2.239 -1.629 482 HG2 PRO 62 HG2 PRO 62 -2.790 0.118 -3.105 483 HG3 PRO 62 HG1 PRO 62 -2.299 -1.462 -3.736 484 HD2 PRO 62 HD2 PRO 62 -4.871 -0.868 -3.328 485 HD3 PRO 62 HD1 PRO 62 -4.244 -2.507 -3.010 486 H THR 63 HN THR 63 -2.873 -0.585 1.892 487 HA THR 63 HA THR 63 -2.888 2.311 1.432 488 HB THR 63 HB THR 63 -4.240 2.677 3.403 489 HG1 THR 63 HG1 THR 63 -3.726 -0.030 3.824 490 HG21 THR 63 HG21 THR 63 -6.347 1.409 2.736 491 HG22 THR 63 HG22 THR 63 -5.365 0.638 1.488 492 HG23 THR 63 HG23 THR 63 -5.588 2.389 1.481 493 H TYR 64 HN TYR 64 -1.829 3.538 3.034 494 HA TYR 64 HA TYR 64 0.224 2.092 4.570 495 HB2 TYR 64 HB2 TYR 64 1.881 3.774 3.736 496 HB3 TYR 64 HB1 TYR 64 1.252 2.729 2.456 497 HD1 TYR 64 HD1 TYR 64 1.249 6.125 3.839 498 HD2 TYR 64 HD2 TYR 64 -0.256 3.576 0.789 499 HE1 TYR 64 HE1 TYR 64 0.410 8.079 2.615 500 HE2 TYR 64 HE2 TYR 64 -1.069 5.520 -0.452 501 HH TYR 64 HH TYR 64 -1.677 7.795 -0.106 502 H GLU 65 HN GLU 65 1.383 3.637 6.054 503 HA GLU 65 HA GLU 65 -0.551 5.624 7.072 504 HB2 GLU 65 HB2 GLU 65 0.011 3.748 8.629 505 HB3 GLU 65 HB1 GLU 65 1.695 4.287 8.602 506 HG2 GLU 65 HG2 GLU 65 0.976 6.461 9.514 507 HG3 GLU 65 HG1 GLU 65 -0.675 5.850 9.610 508 H ASP 66 HN ASP 66 -0.024 7.657 6.645 509 HA ASP 66 HA ASP 66 2.683 8.345 5.850 510 HB2 ASP 66 HB2 ASP 66 1.804 10.260 4.950 511 HB3 ASP 66 HB1 ASP 66 0.378 9.230 4.907 512 H LYS 67 HN LYS 67 3.342 10.701 6.802 513 HA LYS 67 HA LYS 67 4.058 10.149 9.455 514 HB2 LYS 67 HB2 LYS 67 4.690 12.739 9.356 515 HB3 LYS 67 HB1 LYS 67 5.667 11.483 8.615 516 HG2 LYS 67 HG2 LYS 67 5.479 13.239 7.056 517 HG3 LYS 67 HG1 LYS 67 4.459 11.928 6.471 518 HD2 LYS 67 HD2 LYS 67 2.543 13.152 7.645 519 HD3 LYS 67 HD1 LYS 67 3.647 14.527 7.733 520 HE2 LYS 67 HE2 LYS 67 2.222 14.673 5.756 521 HE3 LYS 67 HE1 LYS 67 3.916 14.470 5.305 522 HZ1 LYS 67 HZ1 LYS 67 2.374 13.054 4.019 523 HZ2 LYS 67 HZ2 LYS 67 1.945 12.250 5.450 524 HZ3 LYS 67 HZ3 LYS 67 3.531 12.158 4.867 525 H ASP 68 HN ASP 68 1.324 11.842 8.158 526 HA ASP 68 HA ASP 68 0.638 13.134 10.642 527 HB2 ASP 68 HB2 ASP 68 -0.085 14.083 8.493 528 HB3 ASP 68 HB1 ASP 68 -1.024 12.633 8.160 529 H GLY 69 HN GLY 69 0.293 10.026 9.293 530 HA2 GLY 69 HA2 GLY 69 -0.294 8.134 10.573 531 HA3 GLY 69 HA1 GLY 69 -1.201 9.179 11.656 532 H ASP 70 HN ASP 70 -1.710 9.762 8.339 533 HA ASP 70 HA ASP 70 -4.394 8.602 8.566 534 HB2 ASP 70 HB2 ASP 70 -4.016 11.028 7.882 535 HB3 ASP 70 HB1 ASP 70 -3.353 10.406 6.376 536 H TRP 71 HN TRP 71 -5.168 7.094 7.099 537 HA TRP 71 HA TRP 71 -3.065 5.719 5.575 538 HB2 TRP 71 HB2 TRP 71 -5.781 4.746 6.523 539 HB3 TRP 71 HB1 TRP 71 -4.657 3.789 5.566 540 HD1 TRP 71 HD1 TRP 71 -4.894 5.430 9.059 541 HE1 TRP 71 HE1 TRP 71 -3.421 4.074 10.676 542 HE3 TRP 71 HE3 TRP 71 -2.823 2.158 5.726 543 HZ2 TRP 71 HZ2 TRP 71 -1.627 1.905 10.556 544 HZ3 TRP 71 HZ3 TRP 71 -1.238 0.474 6.558 545 HH2 TRP 71 HH2 TRP 71 -0.652 0.350 8.923 546 H MET 72 HN MET 72 -2.984 6.031 3.535 547 HA MET 72 HA MET 72 -5.462 6.459 1.996 548 HB2 MET 72 HB2 MET 72 -2.736 7.665 1.454 549 HB3 MET 72 HB1 MET 72 -4.182 7.910 0.486 550 HG2 MET 72 HG2 MET 72 -5.226 9.166 2.193 551 HG3 MET 72 HG1 MET 72 -4.006 8.699 3.377 552 HE1 MET 72 HE1 MET 72 -1.255 9.044 1.833 553 HE2 MET 72 HE2 MET 72 -1.581 9.624 3.471 554 HE3 MET 72 HE3 MET 72 -0.876 10.714 2.277 555 H LEU 73 HN LEU 73 -4.993 5.879 -0.415 556 HA LEU 73 HA LEU 73 -3.595 3.334 -0.444 557 HB2 LEU 73 HB2 LEU 73 -5.946 3.695 -1.358 558 HB3 LEU 73 HB1 LEU 73 -5.202 4.630 -2.638 559 HG LEU 73 HG LEU 73 -4.352 1.785 -2.198 560 HD11 LEU 73 HD11 LEU 73 -6.577 2.610 -4.046 561 HD12 LEU 73 HD12 LEU 73 -6.898 2.022 -2.410 562 HD13 LEU 73 HD13 LEU 73 -6.084 0.978 -3.577 563 HD21 LEU 73 HD21 LEU 73 -3.222 3.499 -3.713 564 HD22 LEU 73 HD22 LEU 73 -4.668 3.351 -4.716 565 HD23 LEU 73 HD23 LEU 73 -3.651 1.937 -4.422 566 H VAL 74 HN VAL 74 -1.864 2.930 -1.801 567 HA VAL 74 HA VAL 74 0.001 5.000 -2.023 568 HB VAL 74 HB VAL 74 1.375 3.393 -3.346 569 HG11 VAL 74 HG11 VAL 74 0.108 2.318 -0.826 570 HG12 VAL 74 HG12 VAL 74 1.456 3.455 -0.913 571 HG13 VAL 74 HG13 VAL 74 1.656 1.805 -1.504 572 HG21 VAL 74 HG21 VAL 74 0.562 1.096 -3.608 573 HG22 VAL 74 HG22 VAL 74 -0.424 2.236 -4.524 574 HG23 VAL 74 HG23 VAL 74 -1.017 1.584 -2.996 575 H GLY 75 HN GLY 75 0.885 6.115 -3.751 576 HA2 GLY 75 HA2 GLY 75 0.865 6.687 -6.113 577 HA3 GLY 75 HA1 GLY 75 -0.822 6.191 -6.159 578 H ASP 76 HN ASP 76 -0.378 7.749 -3.300 579 HA ASP 76 HA ASP 76 -1.679 10.144 -4.239 580 HB2 ASP 76 HB2 ASP 76 -2.353 9.190 -2.104 581 HB3 ASP 76 HB1 ASP 76 -0.716 9.369 -1.480 582 H VAL 77 HN VAL 77 1.280 9.650 -2.312 583 HA VAL 77 HA VAL 77 2.405 12.113 -3.345 584 HB VAL 77 HB VAL 77 4.075 10.457 -1.610 585 HG11 VAL 77 HG11 VAL 77 4.089 12.583 -0.290 586 HG12 VAL 77 HG12 VAL 77 3.088 13.259 -1.576 587 HG13 VAL 77 HG13 VAL 77 4.707 12.658 -1.937 588 HG21 VAL 77 HG21 VAL 77 1.417 11.399 -0.545 589 HG22 VAL 77 HG22 VAL 77 2.771 10.873 0.453 590 HG23 VAL 77 HG23 VAL 77 1.986 9.731 -0.639 591 HA PRO 78 HA PRO 78 5.045 9.843 -6.168 592 HB2 PRO 78 HB2 PRO 78 7.138 11.851 -5.860 593 HB3 PRO 78 HB1 PRO 78 6.106 11.531 -7.256 594 HG2 PRO 78 HG2 PRO 78 5.883 13.773 -5.770 595 HG3 PRO 78 HG1 PRO 78 4.493 13.022 -6.573 596 HD2 PRO 78 HD2 PRO 78 5.358 12.828 -3.707 597 HD3 PRO 78 HD1 PRO 78 3.727 13.066 -4.363 598 H TRP 79 HN TRP 79 7.038 8.696 -6.240 599 HA TRP 79 HA TRP 79 7.490 7.207 -4.013 600 HB2 TRP 79 HB2 TRP 79 8.156 6.668 -6.367 601 HB3 TRP 79 HB1 TRP 79 9.560 7.705 -6.152 602 HD1 TRP 79 HD1 TRP 79 11.678 6.481 -5.393 603 HE1 TRP 79 HE1 TRP 79 12.197 4.239 -4.245 604 HE3 TRP 79 HE3 TRP 79 6.895 4.900 -4.491 605 HZ2 TRP 79 HZ2 TRP 79 10.766 2.082 -3.111 606 HZ3 TRP 79 HZ3 TRP 79 6.563 2.751 -3.382 607 HH2 TRP 79 HH2 TRP 79 8.452 1.363 -2.700 608 H ASP 80 HN ASP 80 9.473 9.986 -5.050 609 HA ASP 80 HA ASP 80 11.616 9.527 -3.325 610 HB2 ASP 80 HB2 ASP 80 11.729 11.088 -5.202 611 HB3 ASP 80 HB1 ASP 80 10.614 12.174 -4.377 612 H MET 81 HN MET 81 8.691 11.447 -2.769 613 HA MET 81 HA MET 81 9.508 12.148 -0.080 614 HB2 MET 81 HB2 MET 81 6.943 12.569 -1.615 615 HB3 MET 81 HB1 MET 81 7.171 13.097 0.045 616 HG2 MET 81 HG2 MET 81 8.861 14.638 -0.594 617 HG3 MET 81 HG1 MET 81 8.922 13.980 -2.228 618 HE1 MET 81 HE1 MET 81 5.587 14.552 -0.211 619 HE2 MET 81 HE2 MET 81 5.239 16.239 -0.594 620 HE3 MET 81 HE3 MET 81 6.644 15.830 0.391 621 H PHE 82 HN PHE 82 7.476 9.848 -1.688 622 HA PHE 82 HA PHE 82 5.807 9.045 0.372 623 HB2 PHE 82 HB2 PHE 82 5.848 8.447 -2.165 624 HB3 PHE 82 HB1 PHE 82 6.815 7.069 -1.636 625 HD1 PHE 82 HD2 PHE 82 5.858 5.404 -0.077 626 HD2 PHE 82 HD1 PHE 82 3.564 8.582 -1.738 627 HE1 PHE 82 HE2 PHE 82 3.772 4.266 0.598 628 HE2 PHE 82 HE1 PHE 82 1.496 7.463 -1.064 629 HZ PHE 82 HZ PHE 82 1.588 5.323 0.115 630 H VAL 83 HN VAL 83 8.938 7.652 -0.580 631 HA VAL 83 HA VAL 83 8.785 5.380 1.075 632 HB VAL 83 HB VAL 83 11.435 6.608 0.426 633 HG11 VAL 83 HG11 VAL 83 12.011 4.265 0.012 634 HG12 VAL 83 HG12 VAL 83 10.347 3.809 0.385 635 HG13 VAL 83 HG13 VAL 83 11.370 4.523 1.635 636 HG21 VAL 83 HG21 VAL 83 11.319 5.620 -1.827 637 HG22 VAL 83 HG22 VAL 83 10.182 6.951 -1.609 638 HG23 VAL 83 HG23 VAL 83 9.606 5.284 -1.569 639 H THR 84 HN THR 84 10.056 8.590 1.672 640 HA THR 84 HA THR 84 11.269 7.833 4.153 641 HB THR 84 HB THR 84 11.660 10.339 4.330 642 HG1 THR 84 HG1 THR 84 11.404 11.251 2.051 643 HG21 THR 84 HG21 THR 84 13.356 10.301 2.513 644 HG22 THR 84 HG22 THR 84 12.626 8.811 1.908 645 HG23 THR 84 HG23 THR 84 13.374 8.841 3.504 646 H SER 85 HN SER 85 8.084 8.564 3.300 647 HA SER 85 HA SER 85 7.551 9.737 5.939 648 HB2 SER 85 HB2 SER 85 5.375 10.490 4.857 649 HB3 SER 85 HB1 SER 85 6.854 11.258 4.282 650 HG SER 85 HG SER 85 6.752 10.127 2.426 651 H CYS 86 HN CYS 86 6.699 7.049 3.855 652 HA CYS 86 HA CYS 86 4.371 6.228 5.248 653 HB2 CYS 86 HB2 CYS 86 4.823 5.402 3.019 654 HB3 CYS 86 HB1 CYS 86 6.305 4.624 3.562 655 HG CYS 86 HG CYS 86 4.436 2.624 3.105 656 H LYS 87 HN LYS 87 4.064 4.917 6.958 657 HA LYS 87 HA LYS 87 6.457 4.173 8.514 658 HB2 LYS 87 HB2 LYS 87 3.728 5.000 9.521 659 HB3 LYS 87 HB1 LYS 87 5.100 4.561 10.524 660 HG2 LYS 87 HG2 LYS 87 6.310 6.490 9.865 661 HG3 LYS 87 HG1 LYS 87 5.144 6.858 8.596 662 HD2 LYS 87 HD2 LYS 87 4.714 8.359 10.385 663 HD3 LYS 87 HD1 LYS 87 3.421 7.164 10.396 664 HE2 LYS 87 HE2 LYS 87 5.854 6.939 12.151 665 HE3 LYS 87 HE1 LYS 87 4.411 7.817 12.643 666 HZ1 LYS 87 HZ1 LYS 87 3.162 5.692 12.198 667 HZ2 LYS 87 HZ2 LYS 87 4.213 5.672 13.527 668 HZ3 LYS 87 HZ3 LYS 87 4.670 4.923 12.087 669 H ARG 88 HN ARG 88 3.170 3.246 7.667 670 HA ARG 88 HA ARG 88 3.777 0.483 8.440 671 HB2 ARG 88 HB2 ARG 88 1.273 2.002 9.193 672 HB3 ARG 88 HB1 ARG 88 1.496 0.273 9.401 673 HG2 ARG 88 HG2 ARG 88 3.276 0.658 10.987 674 HG3 ARG 88 HG1 ARG 88 3.160 2.402 10.720 675 HD2 ARG 88 HD2 ARG 88 0.965 2.468 11.651 676 HD3 ARG 88 HD1 ARG 88 0.873 0.710 11.708 677 HE ARG 88 HE ARG 88 2.804 0.944 13.364 678 HH11 ARG 88 HH11 ARG 88 0.349 3.412 12.951 679 HH12 ARG 88 HH12 ARG 88 0.346 3.857 14.634 680 HH21 ARG 88 HH21 ARG 88 2.799 1.547 15.576 681 HH22 ARG 88 HH22 ARG 88 1.749 2.822 16.111 682 H LEU 89 HN LEU 89 2.125 -1.054 7.536 683 HA LEU 89 HA LEU 89 1.169 -0.097 4.929 684 HB2 LEU 89 HB2 LEU 89 3.525 -1.334 5.141 685 HB3 LEU 89 HB1 LEU 89 2.500 -2.756 5.079 686 HG LEU 89 HG LEU 89 1.548 -1.840 2.948 687 HD11 LEU 89 HD11 LEU 89 2.137 0.491 3.231 688 HD12 LEU 89 HD12 LEU 89 2.836 -0.153 1.747 689 HD13 LEU 89 HD13 LEU 89 3.849 0.075 3.172 690 HD21 LEU 89 HD21 LEU 89 3.216 -3.609 2.964 691 HD22 LEU 89 HD22 LEU 89 4.501 -2.402 2.997 692 HD23 LEU 89 HD23 LEU 89 3.449 -2.533 1.586 693 H ARG 90 HN ARG 90 -0.883 -0.713 4.617 694 HA ARG 90 HA ARG 90 -1.685 -3.334 5.627 695 HB2 ARG 90 HB2 ARG 90 -2.329 -1.667 7.336 696 HB3 ARG 90 HB1 ARG 90 -3.285 -0.821 6.130 697 HG2 ARG 90 HG2 ARG 90 -3.873 -3.691 6.571 698 HG3 ARG 90 HG1 ARG 90 -4.342 -2.551 7.836 699 HD2 ARG 90 HD2 ARG 90 -5.236 -2.650 4.967 700 HD3 ARG 90 HD1 ARG 90 -6.217 -2.726 6.431 701 HE ARG 90 HE ARG 90 -5.051 -0.328 5.224 702 HH11 ARG 90 HH11 ARG 90 -6.925 -1.756 7.821 703 HH12 ARG 90 HH12 ARG 90 -7.558 -0.237 8.368 704 HH21 ARG 90 HH21 ARG 90 -5.865 1.663 5.945 705 HH22 ARG 90 HH22 ARG 90 -6.951 1.716 7.296 706 H ILE 91 HN ILE 91 -2.479 -4.431 4.004 707 HA ILE 91 HA ILE 91 -4.057 -2.994 1.968 708 HB ILE 91 HB ILE 91 -2.779 -5.660 1.496 709 HG12 ILE 91 HG12 ILE 91 -1.562 -2.991 0.747 710 HG13 ILE 91 HG11 ILE 91 -1.030 -3.950 2.118 711 HG21 ILE 91 HG21 ILE 91 -2.989 -4.925 -0.892 712 HG22 ILE 91 HG22 ILE 91 -3.874 -3.518 -0.308 713 HG23 ILE 91 HG23 ILE 91 -4.520 -5.136 -0.044 714 HD11 ILE 91 HD11 ILE 91 -0.887 -4.748 -0.779 715 HD12 ILE 91 HD12 ILE 91 -0.386 -5.752 0.588 716 HD13 ILE 91 HD13 ILE 91 0.456 -4.240 0.245 717 H MET 92 HN MET 92 -6.077 -3.806 1.596 718 HA MET 92 HA MET 92 -6.912 -6.281 2.747 719 HB2 MET 92 HB2 MET 92 -8.427 -5.441 4.414 720 HB3 MET 92 HB1 MET 92 -6.784 -4.914 4.750 721 HG2 MET 92 HG2 MET 92 -7.279 -2.705 3.888 722 HG3 MET 92 HG1 MET 92 -8.889 -3.239 3.405 723 HE1 MET 92 HE1 MET 92 -10.070 -1.269 4.647 724 HE2 MET 92 HE2 MET 92 -8.481 -0.635 5.081 725 HE3 MET 92 HE3 MET 92 -9.729 -0.811 6.316 726 H LYS 93 HN LYS 93 -9.192 -6.646 2.612 727 HA LYS 93 HA LYS 93 -10.081 -6.315 0.010 728 HB2 LYS 93 HB2 LYS 93 -11.031 -7.537 2.472 729 HB3 LYS 93 HB1 LYS 93 -12.344 -6.944 1.459 730 HG2 LYS 93 HG2 LYS 93 -11.562 -8.229 -0.406 731 HG3 LYS 93 HG1 LYS 93 -10.135 -8.736 0.499 732 HD2 LYS 93 HD2 LYS 93 -11.531 -9.936 2.078 733 HD3 LYS 93 HD1 LYS 93 -12.985 -9.381 1.241 734 HE2 LYS 93 HE2 LYS 93 -12.219 -10.541 -0.791 735 HE3 LYS 93 HE1 LYS 93 -10.820 -11.138 0.098 736 HZ1 LYS 93 HZ1 LYS 93 -12.289 -12.337 1.566 737 HZ2 LYS 93 HZ2 LYS 93 -12.599 -12.774 -0.036 738 HZ3 LYS 93 HZ3 LYS 93 -13.649 -11.726 0.771 739 H GLY 94 HN GLY 94 -11.740 -5.264 -0.937 740 HA2 GLY 94 HA2 GLY 94 -11.866 -2.514 -0.453 741 HA3 GLY 94 HA1 GLY 94 -12.893 -3.400 -1.559 742 H THR 95 HN THR 95 -14.015 -5.044 0.513 743 HA THR 95 HA THR 95 -16.255 -3.580 1.262 744 HB THR 95 HB THR 95 -16.486 -5.923 1.304 745 HG1 THR 95 HG1 THR 95 -16.328 -5.267 4.074 746 HG21 THR 95 HG21 THR 95 -14.181 -6.574 1.610 747 HG22 THR 95 HG22 THR 95 -15.185 -7.396 2.801 748 HG23 THR 95 HG23 THR 95 -14.206 -6.009 3.278 749 H GLU 96 HN GLU 96 -13.156 -3.777 2.775 750 HA GLU 96 HA GLU 96 -14.174 -2.354 5.126 751 HB2 GLU 96 HB2 GLU 96 -11.438 -3.576 4.728 752 HB3 GLU 96 HB1 GLU 96 -12.098 -2.931 6.226 753 HG2 GLU 96 HG2 GLU 96 -12.952 -5.405 4.752 754 HG3 GLU 96 HG1 GLU 96 -12.225 -5.292 6.353 755 H ALA 97 HN ALA 97 -11.963 -2.139 2.429 756 HA ALA 97 HA ALA 97 -10.620 0.229 3.138 757 HB1 ALA 97 HB1 ALA 97 -9.949 0.350 0.825 758 HB2 ALA 97 HB2 ALA 97 -11.220 -0.781 0.365 759 HB3 ALA 97 HB3 ALA 97 -9.879 -1.325 1.374 760 H LYS 98 HN LYS 98 -13.780 -0.325 1.886 761 HA LYS 98 HA LYS 98 -14.315 2.175 0.730 762 HB2 LYS 98 HB2 LYS 98 -16.624 1.576 0.882 763 HB3 LYS 98 HB1 LYS 98 -15.711 0.124 0.507 764 HG2 LYS 98 HG2 LYS 98 -15.776 -0.357 3.011 765 HG3 LYS 98 HG1 LYS 98 -17.016 0.897 3.091 766 HD2 LYS 98 HD2 LYS 98 -18.216 -0.388 1.253 767 HD3 LYS 98 HD1 LYS 98 -17.075 -1.700 1.579 768 HE2 LYS 98 HE2 LYS 98 -19.194 -2.009 2.777 769 HE3 LYS 98 HE1 LYS 98 -17.829 -1.825 3.876 770 HZ1 LYS 98 HZ1 LYS 98 -19.747 0.323 3.151 771 HZ2 LYS 98 HZ2 LYS 98 -18.467 0.461 4.250 772 HZ3 LYS 98 HZ3 LYS 98 -19.766 -0.564 4.592 773 H GLY 99 HN GLY 99 -13.920 1.251 4.001 774 HA2 GLY 99 HA2 GLY 99 -15.432 3.325 5.205 775 HA3 GLY 99 HA1 GLY 99 -14.189 2.364 5.983 776 H LEU 100 HN LEU 100 -12.041 3.018 4.245 777 HA LEU 100 HA LEU 100 -11.597 5.767 5.154 778 HB2 LEU 100 HB2 LEU 100 -9.255 5.340 5.085 779 HB3 LEU 100 HB1 LEU 100 -10.025 4.055 5.989 780 HG LEU 100 HG LEU 100 -9.544 3.558 3.101 781 HD11 LEU 100 HD11 LEU 100 -7.472 4.663 3.817 782 HD12 LEU 100 HD12 LEU 100 -7.224 2.949 3.492 783 HD13 LEU 100 HD13 LEU 100 -7.333 3.524 5.154 784 HD21 LEU 100 HD21 LEU 100 -10.590 1.867 4.509 785 HD22 LEU 100 HD22 LEU 100 -9.220 1.917 5.614 786 HD23 LEU 100 HD23 LEU 100 -9.004 1.326 3.967 787 H GLY 101 HN GLY 101 -12.720 4.450 2.512 788 HA2 GLY 101 HA2 GLY 101 -11.148 5.643 0.460 789 HA3 GLY 101 HA1 GLY 101 -12.825 5.130 0.311 790 H CYS 102 HN CYS 102 -10.802 7.656 1.681 791 HA CYS 102 HA CYS 102 -12.720 9.493 2.394 792 HB2 CYS 102 HB2 CYS 102 -9.931 10.072 1.392 793 HB3 CYS 102 HB1 CYS 102 -10.918 11.134 2.389 794 HG CYS 102 HG CYS 102 -8.673 9.383 3.542 795 H GLY 103 HN GLY 103 -14.294 10.010 1.099 796 HA2 GLY 103 HA2 GLY 103 -15.332 11.453 -0.336 797 HA3 GLY 103 HA1 GLY 103 -13.754 12.062 -0.802 798 H VAL 104 HN VAL 104 -15.765 9.175 -1.153 799 HA VAL 104 HA VAL 104 -16.178 7.771 -2.886 800 HB VAL 104 HB VAL 104 -15.397 10.096 -4.656 801 HG11 VAL 104 HG11 VAL 104 -16.817 9.019 -6.326 802 HG12 VAL 104 HG12 VAL 104 -17.134 7.691 -5.209 803 HG13 VAL 104 HG13 VAL 104 -15.503 7.951 -5.828 804 HG21 VAL 104 HG21 VAL 104 -18.100 9.351 -3.543 805 HG22 VAL 104 HG22 VAL 104 -17.782 10.636 -4.707 806 HG23 VAL 104 HG23 VAL 104 -17.132 10.748 -3.072 807 H GLY 105 HN GLY 105 -14.591 6.287 -2.547 808 HA2 GLY 105 HA2 GLY 105 -12.236 6.529 -4.270 809 HA3 GLY 105 HA1 GLY 105 -11.999 6.237 -2.558 810 H SER 106 HN SER 106 -13.950 4.388 -1.983 811 HA SER 106 HA SER 106 -13.219 2.150 -3.734 812 HB2 SER 106 HB2 SER 106 -11.723 2.365 -1.691 813 HB3 SER 106 HB1 SER 106 -13.147 2.003 -0.724 814 HG SER 106 HG SER 106 -11.565 0.338 -2.204 815 H HIS 107 HN HIS 107 -15.036 1.329 -4.465 816 HA HIS 107 HA HIS 107 -17.047 0.321 -4.577 817 HB2 HIS 107 HB2 HIS 107 -16.323 -0.298 -1.719 818 HB3 HIS 107 HB1 HIS 107 -17.754 -0.962 -2.504 819 HD1 HIS 107 HD1 HIS 107 -17.402 -3.153 -3.593 820 HD2 HIS 107 HD2 HIS 107 -13.865 -0.994 -3.302 821 HE1 HIS 107 HE1 HIS 107 -15.612 -4.665 -4.501 822 HE2 HIS 107 HE2 HIS 107 -13.527 -3.254 -4.521 Start of MODEL 2 1 H1 HIS 1 HT1 HIS 1 20.187 -2.942 -6.239 2 H2 HIS 1 HT2 HIS 1 19.405 -2.553 -7.683 3 H3 HIS 1 HT3 HIS 1 20.084 -1.329 -6.741 4 HA HIS 1 HA HIS 1 21.547 -3.483 -8.148 5 HB2 HIS 1 HB2 HIS 1 20.628 -1.651 -9.590 6 HB3 HIS 1 HB1 HIS 1 21.566 -0.498 -8.649 7 HD1 HIS 1 HD1 HIS 1 22.094 -3.495 -10.916 8 HD2 HIS 1 HD2 HIS 1 24.137 -0.151 -9.516 9 HE1 HIS 1 HE1 HIS 1 24.265 -3.446 -12.180 10 HE2 HIS 1 HE2 HIS 1 25.438 -1.361 -11.399 11 H GLU 2 HN GLU 2 21.678 -0.734 -5.940 12 HA GLU 2 HA GLU 2 24.552 -0.859 -5.763 13 HB2 GLU 2 HB2 GLU 2 22.541 0.788 -4.224 14 HB3 GLU 2 HB1 GLU 2 24.286 0.984 -4.139 15 HG2 GLU 2 HG2 GLU 2 22.613 1.348 -6.614 16 HG3 GLU 2 HG1 GLU 2 23.223 2.645 -5.591 17 H ALA 3 HN ALA 3 24.486 -3.118 -5.091 18 HA ALA 3 HA ALA 3 24.899 -4.732 -3.546 19 HB1 ALA 3 HB1 ALA 3 25.561 -2.358 -1.812 20 HB2 ALA 3 HB2 ALA 3 26.654 -3.158 -2.942 21 HB3 ALA 3 HB3 ALA 3 26.063 -4.024 -1.525 22 H ASP 4 HN ASP 4 22.378 -4.771 -3.706 23 HA ASP 4 HA ASP 4 20.441 -5.381 -2.718 24 HB2 ASP 4 HB2 ASP 4 21.884 -6.848 -1.367 25 HB3 ASP 4 HB1 ASP 4 22.093 -5.555 -0.191 26 H VAL 5 HN VAL 5 18.942 -3.882 -2.687 27 HA VAL 5 HA VAL 5 19.359 -1.408 -1.247 28 HB VAL 5 HB VAL 5 17.198 -0.704 -2.274 29 HG11 VAL 5 HG11 VAL 5 19.296 -0.197 -3.368 30 HG12 VAL 5 HG12 VAL 5 18.069 -0.585 -4.574 31 HG13 VAL 5 HG13 VAL 5 19.298 -1.777 -4.152 32 HG21 VAL 5 HG21 VAL 5 16.192 -2.083 -4.009 33 HG22 VAL 5 HG22 VAL 5 16.167 -2.926 -2.460 34 HG23 VAL 5 HG23 VAL 5 17.355 -3.367 -3.685 35 H GLY 6 HN GLY 6 17.750 -0.488 0.183 36 HA2 GLY 6 HA2 GLY 6 15.508 -1.398 1.272 37 HA3 GLY 6 HA1 GLY 6 16.663 -2.520 1.978 38 H GLY 7 HN GLY 7 14.975 -0.595 3.358 39 HA2 GLY 7 HA2 GLY 7 16.743 0.326 5.277 40 HA3 GLY 7 HA1 GLY 7 16.561 1.650 4.133 41 H ILE 8 HN ILE 8 13.756 0.726 3.563 42 HA ILE 8 HA ILE 8 12.560 1.838 6.001 43 HB ILE 8 HB ILE 8 11.810 2.251 3.116 44 HG12 ILE 8 HG12 ILE 8 11.757 4.666 4.090 45 HG13 ILE 8 HG11 ILE 8 12.675 3.960 5.411 46 HG21 ILE 8 HG21 ILE 8 9.804 3.434 3.870 47 HG22 ILE 8 HG22 ILE 8 10.124 2.912 5.525 48 HG23 ILE 8 HG23 ILE 8 9.747 1.719 4.281 49 HD11 ILE 8 HD11 ILE 8 13.476 3.984 2.521 50 HD12 ILE 8 HD12 ILE 8 14.377 3.231 3.839 51 HD13 ILE 8 HD13 ILE 8 14.151 4.980 3.810 52 H PHE 9 HN PHE 9 11.683 0.234 7.091 53 HA PHE 9 HA PHE 9 10.419 -1.960 5.586 54 HB2 PHE 9 HB2 PHE 9 11.805 -2.088 8.272 55 HB3 PHE 9 HB1 PHE 9 11.026 -3.440 7.460 56 HD1 PHE 9 HD1 PHE 9 12.008 -4.376 5.402 57 HD2 PHE 9 HD2 PHE 9 13.979 -1.353 7.655 58 HE1 PHE 9 HE1 PHE 9 14.118 -4.896 4.250 59 HE2 PHE 9 HE2 PHE 9 16.093 -1.866 6.505 60 HZ PHE 9 HZ PHE 9 16.163 -3.640 4.801 61 H VAL 10 HN VAL 10 8.314 -2.074 5.830 62 HA VAL 10 HA VAL 10 7.133 -0.901 8.257 63 HB VAL 10 HB VAL 10 5.256 -0.170 7.009 64 HG11 VAL 10 HG11 VAL 10 7.105 1.327 6.769 65 HG12 VAL 10 HG12 VAL 10 6.277 1.243 5.208 66 HG13 VAL 10 HG13 VAL 10 7.785 0.354 5.463 67 HG21 VAL 10 HG21 VAL 10 5.023 -0.646 4.563 68 HG22 VAL 10 HG22 VAL 10 4.825 -2.050 5.616 69 HG23 VAL 10 HG23 VAL 10 6.336 -1.816 4.731 70 H LYS 11 HN LYS 11 5.011 -1.830 8.808 71 HA LYS 11 HA LYS 11 5.076 -4.747 8.477 72 HB2 LYS 11 HB2 LYS 11 3.605 -4.739 10.530 73 HB3 LYS 11 HB1 LYS 11 5.245 -4.169 10.798 74 HG2 LYS 11 HG2 LYS 11 4.529 -1.901 10.874 75 HG3 LYS 11 HG1 LYS 11 2.910 -2.331 10.329 76 HD2 LYS 11 HD2 LYS 11 4.138 -3.227 12.937 77 HD3 LYS 11 HD1 LYS 11 3.047 -1.852 12.763 78 HE2 LYS 11 HE2 LYS 11 1.364 -3.437 11.788 79 HE3 LYS 11 HE1 LYS 11 2.443 -4.754 12.238 80 HZ1 LYS 11 HZ1 LYS 11 2.280 -3.978 14.558 81 HZ2 LYS 11 HZ2 LYS 11 0.794 -4.472 13.924 82 HZ3 LYS 11 HZ3 LYS 11 1.139 -2.825 14.078 83 H VAL 12 HN VAL 12 3.371 -5.757 7.591 84 HA VAL 12 HA VAL 12 1.054 -4.079 6.909 85 HB VAL 12 HB VAL 12 1.756 -4.175 4.779 86 HG11 VAL 12 HG11 VAL 12 3.514 -6.422 5.686 87 HG12 VAL 12 HG12 VAL 12 3.956 -4.784 5.180 88 HG13 VAL 12 HG13 VAL 12 3.394 -5.956 3.983 89 HG21 VAL 12 HG21 VAL 12 0.893 -7.049 5.033 90 HG22 VAL 12 HG22 VAL 12 1.161 -6.212 3.504 91 HG23 VAL 12 HG23 VAL 12 -0.119 -5.674 4.593 92 H SER 13 HN SER 13 -0.816 -4.842 7.459 93 HA SER 13 HA SER 13 -1.140 -7.739 7.841 94 HB2 SER 13 HB2 SER 13 -1.185 -6.447 9.995 95 HB3 SER 13 HB1 SER 13 -2.575 -5.555 9.380 96 HG SER 13 HG SER 13 -3.131 -7.365 10.720 97 H MET 14 HN MET 14 -3.306 -8.513 7.369 98 HA MET 14 HA MET 14 -4.469 -6.958 5.174 99 HB2 MET 14 HB2 MET 14 -4.505 -9.915 5.778 100 HB3 MET 14 HB1 MET 14 -5.481 -9.176 4.514 101 HG2 MET 14 HG2 MET 14 -2.483 -9.263 4.683 102 HG3 MET 14 HG1 MET 14 -3.516 -10.106 3.534 103 HE1 MET 14 HE1 MET 14 -5.595 -7.202 3.156 104 HE2 MET 14 HE2 MET 14 -5.366 -8.719 2.270 105 HE3 MET 14 HE3 MET 14 -5.020 -7.180 1.483 106 H ASP 15 HN ASP 15 -6.615 -6.475 5.097 107 HA ASP 15 HA ASP 15 -8.182 -7.180 7.489 108 HB2 ASP 15 HB2 ASP 15 -7.739 -4.712 6.963 109 HB3 ASP 15 HB1 ASP 15 -8.829 -4.926 5.600 110 H GLY 16 HN GLY 16 -9.839 -8.479 7.250 111 HA2 GLY 16 HA2 GLY 16 -11.840 -9.187 6.100 112 HA3 GLY 16 HA1 GLY 16 -11.031 -8.836 4.577 113 H ALA 17 HN ALA 17 -8.545 -10.027 5.292 114 HA ALA 17 HA ALA 17 -9.196 -12.814 5.921 115 HB1 ALA 17 HB1 ALA 17 -8.985 -12.684 3.487 116 HB2 ALA 17 HB2 ALA 17 -7.660 -13.609 4.197 117 HB3 ALA 17 HB3 ALA 17 -7.392 -11.948 3.661 118 HA PRO 18 HA PRO 18 -5.748 -12.142 8.612 119 HB2 PRO 18 HB2 PRO 18 -5.220 -14.679 9.351 120 HB3 PRO 18 HB1 PRO 18 -6.674 -13.830 9.888 121 HG2 PRO 18 HG2 PRO 18 -6.358 -15.839 7.698 122 HG3 PRO 18 HG1 PRO 18 -7.644 -15.697 8.894 123 HD2 PRO 18 HD2 PRO 18 -7.850 -14.802 6.321 124 HD3 PRO 18 HD1 PRO 18 -8.760 -14.110 7.676 125 H TYR 19 HN TYR 19 -3.783 -11.588 7.939 126 HA TYR 19 HA TYR 19 -1.964 -13.590 6.914 127 HB2 TYR 19 HB2 TYR 19 -2.623 -11.116 5.308 128 HB3 TYR 19 HB1 TYR 19 -1.176 -12.075 5.055 129 HD1 TYR 19 HD1 TYR 19 -1.550 -14.585 4.473 130 HD2 TYR 19 HD2 TYR 19 -4.554 -11.595 4.130 131 HE1 TYR 19 HE1 TYR 19 -2.778 -16.007 2.887 132 HE2 TYR 19 HE2 TYR 19 -5.792 -13.011 2.547 133 HH TYR 19 HH TYR 19 -5.308 -14.862 0.965 134 H LEU 20 HN LEU 20 0.193 -13.023 7.129 135 HA LEU 20 HA LEU 20 0.700 -10.561 8.656 136 HB2 LEU 20 HB2 LEU 20 1.245 -13.376 9.281 137 HB3 LEU 20 HB1 LEU 20 2.607 -12.299 9.536 138 HG LEU 20 HG LEU 20 1.439 -12.584 11.617 139 HD11 LEU 20 HD11 LEU 20 2.327 -10.352 11.159 140 HD12 LEU 20 HD12 LEU 20 0.902 -10.298 12.194 141 HD13 LEU 20 HD13 LEU 20 0.768 -9.874 10.488 142 HD21 LEU 20 HD21 LEU 20 -0.898 -11.985 11.917 143 HD22 LEU 20 HD22 LEU 20 -0.721 -13.282 10.735 144 HD23 LEU 20 HD23 LEU 20 -1.038 -11.634 10.195 145 H ARG 21 HN ARG 21 1.778 -9.340 7.228 146 HA ARG 21 HA ARG 21 4.121 -10.531 5.905 147 HB2 ARG 21 HB2 ARG 21 2.100 -8.627 4.721 148 HB3 ARG 21 HB1 ARG 21 3.675 -8.920 4.001 149 HG2 ARG 21 HG2 ARG 21 1.567 -11.023 4.474 150 HG3 ARG 21 HG1 ARG 21 1.887 -10.221 2.934 151 HD2 ARG 21 HD2 ARG 21 4.223 -11.076 3.050 152 HD3 ARG 21 HD1 ARG 21 3.775 -11.981 4.493 153 HE ARG 21 HE ARG 21 1.964 -12.786 2.622 154 HH11 ARG 21 HH11 ARG 21 5.460 -12.669 2.759 155 HH12 ARG 21 HH12 ARG 21 5.679 -14.047 1.730 156 HH21 ARG 21 HH21 ARG 21 2.251 -14.600 1.249 157 HH22 ARG 21 HH22 ARG 21 3.853 -15.138 0.863 158 H LYS 22 HN LYS 22 5.902 -9.101 5.539 159 HA LYS 22 HA LYS 22 5.664 -6.338 6.436 160 HB2 LYS 22 HB2 LYS 22 8.036 -7.917 7.413 161 HB3 LYS 22 HB1 LYS 22 7.474 -6.333 7.927 162 HG2 LYS 22 HG2 LYS 22 5.475 -8.311 8.445 163 HG3 LYS 22 HG1 LYS 22 7.014 -8.771 9.171 164 HD2 LYS 22 HD2 LYS 22 7.099 -6.814 10.445 165 HD3 LYS 22 HD1 LYS 22 5.861 -6.025 9.469 166 HE2 LYS 22 HE2 LYS 22 5.480 -8.390 11.267 167 HE3 LYS 22 HE1 LYS 22 4.930 -6.744 11.583 168 HZ1 LYS 22 HZ1 LYS 22 3.981 -8.599 9.474 169 HZ2 LYS 22 HZ2 LYS 22 3.574 -6.963 9.505 170 HZ3 LYS 22 HZ3 LYS 22 3.092 -7.978 10.769 171 H ILE 23 HN ILE 23 6.807 -5.017 5.103 172 HA ILE 23 HA ILE 23 8.816 -6.208 3.366 173 HB ILE 23 HB ILE 23 7.761 -5.008 1.390 174 HG12 ILE 23 HG12 ILE 23 5.445 -5.019 3.307 175 HG13 ILE 23 HG11 ILE 23 6.160 -3.639 2.502 176 HG21 ILE 23 HG21 ILE 23 6.242 -6.889 0.913 177 HG22 ILE 23 HG22 ILE 23 6.424 -7.418 2.585 178 HG23 ILE 23 HG23 ILE 23 7.824 -7.390 1.510 179 HD11 ILE 23 HD11 ILE 23 4.672 -5.853 1.121 180 HD12 ILE 23 HD12 ILE 23 5.313 -4.390 0.372 181 HD13 ILE 23 HD13 ILE 23 4.000 -4.278 1.546 182 H ASP 24 HN ASP 24 9.648 -4.521 1.827 183 HA ASP 24 HA ASP 24 10.155 -2.025 3.327 184 HB2 ASP 24 HB2 ASP 24 12.162 -3.468 3.137 185 HB3 ASP 24 HB1 ASP 24 11.984 -3.480 1.387 186 H LEU 25 HN LEU 25 9.623 -0.185 2.330 187 HA LEU 25 HA LEU 25 8.051 -0.332 -0.033 188 HB2 LEU 25 HB2 LEU 25 8.812 1.730 1.930 189 HB3 LEU 25 HB1 LEU 25 8.424 2.311 0.331 190 HG LEU 25 HG LEU 25 6.212 1.119 0.525 191 HD11 LEU 25 HD11 LEU 25 5.448 0.584 2.794 192 HD12 LEU 25 HD12 LEU 25 7.078 0.870 3.399 193 HD13 LEU 25 HD13 LEU 25 6.775 -0.462 2.281 194 HD21 LEU 25 HD21 LEU 25 5.208 2.868 1.767 195 HD22 LEU 25 HD22 LEU 25 6.612 3.560 0.953 196 HD23 LEU 25 HD23 LEU 25 6.691 3.159 2.673 197 H ARG 26 HN ARG 26 11.346 0.691 0.663 198 HA ARG 26 HA ARG 26 11.493 2.305 -1.709 199 HB2 ARG 26 HB2 ARG 26 13.592 2.994 -0.982 200 HB3 ARG 26 HB1 ARG 26 12.657 2.794 0.489 201 HG2 ARG 26 HG2 ARG 26 13.692 0.611 0.851 202 HG3 ARG 26 HG1 ARG 26 14.641 0.834 -0.618 203 HD2 ARG 26 HD2 ARG 26 14.751 2.568 1.845 204 HD3 ARG 26 HD1 ARG 26 15.945 1.359 1.378 205 HE ARG 26 HE ARG 26 15.450 3.423 -0.583 206 HH11 ARG 26 HH11 ARG 26 17.399 2.394 2.140 207 HH12 ARG 26 HH12 ARG 26 18.735 3.421 1.738 208 HH21 ARG 26 HH21 ARG 26 17.202 4.775 -1.118 209 HH22 ARG 26 HH22 ARG 26 18.620 4.784 -0.121 210 H VAL 27 HN VAL 27 12.215 -0.959 -0.888 211 HA VAL 27 HA VAL 27 14.299 -1.421 -2.735 212 HB VAL 27 HB VAL 27 13.865 -3.797 -2.481 213 HG11 VAL 27 HG11 VAL 27 13.614 -2.276 0.103 214 HG12 VAL 27 HG12 VAL 27 15.110 -2.702 -0.728 215 HG13 VAL 27 HG13 VAL 27 14.091 -3.967 -0.040 216 HG21 VAL 27 HG21 VAL 27 11.432 -3.779 -2.562 217 HG22 VAL 27 HG22 VAL 27 11.375 -2.979 -0.991 218 HG23 VAL 27 HG23 VAL 27 12.004 -4.620 -1.121 219 H TYR 28 HN TYR 28 10.969 -0.921 -3.272 220 HA TYR 28 HA TYR 28 10.865 -2.502 -5.698 221 HB2 TYR 28 HB2 TYR 28 8.867 -0.491 -4.652 222 HB3 TYR 28 HB1 TYR 28 8.590 -1.687 -5.913 223 HD1 TYR 28 HD1 TYR 28 9.445 -4.167 -4.986 224 HD2 TYR 28 HD2 TYR 28 7.787 -0.991 -2.700 225 HE1 TYR 28 HE1 TYR 28 8.700 -5.788 -3.296 226 HE2 TYR 28 HE2 TYR 28 7.030 -2.605 -1.000 227 HH TYR 28 HH TYR 28 8.116 -5.819 -0.919 228 H GLY 29 HN GLY 29 11.408 0.772 -4.738 229 HA2 GLY 29 HA2 GLY 29 12.207 2.594 -5.867 230 HA3 GLY 29 HA1 GLY 29 12.775 1.461 -7.077 231 H GLY 30 HN GLY 30 9.408 1.384 -6.543 232 HA2 GLY 30 HA2 GLY 30 8.402 3.420 -8.102 233 HA3 GLY 30 HA1 GLY 30 8.881 2.158 -9.228 234 H TYR 31 HN TYR 31 6.292 2.821 -9.188 235 HA TYR 31 HA TYR 31 4.741 1.469 -7.229 236 HB2 TYR 31 HB2 TYR 31 3.961 2.585 -9.925 237 HB3 TYR 31 HB1 TYR 31 2.824 2.015 -8.705 238 HD1 TYR 31 HD1 TYR 31 3.512 3.050 -6.255 239 HD2 TYR 31 HD2 TYR 31 4.099 4.887 -10.043 240 HE1 TYR 31 HE1 TYR 31 3.556 5.248 -5.170 241 HE2 TYR 31 HE2 TYR 31 4.134 7.101 -8.971 242 HH TYR 31 HH TYR 31 3.302 8.157 -6.883 243 H SER 32 HN SER 32 5.960 0.574 -10.387 244 HA SER 32 HA SER 32 4.176 -1.498 -10.975 245 HB2 SER 32 HB2 SER 32 7.091 -1.327 -11.750 246 HB3 SER 32 HB1 SER 32 5.842 -2.279 -12.554 247 HG SER 32 HG SER 32 4.769 -0.296 -13.036 248 H GLU 33 HN GLU 33 7.371 -1.667 -9.417 249 HA GLU 33 HA GLU 33 7.147 -4.460 -8.888 250 HB2 GLU 33 HB2 GLU 33 9.042 -2.329 -7.921 251 HB3 GLU 33 HB1 GLU 33 9.153 -4.001 -7.391 252 HG2 GLU 33 HG2 GLU 33 9.466 -4.721 -9.694 253 HG3 GLU 33 HG1 GLU 33 9.317 -3.056 -10.245 254 H LEU 34 HN LEU 34 6.459 -1.530 -7.100 255 HA LEU 34 HA LEU 34 6.061 -2.536 -4.539 256 HB2 LEU 34 HB2 LEU 34 5.964 -0.170 -4.937 257 HB3 LEU 34 HB1 LEU 34 4.629 -0.360 -6.057 258 HG LEU 34 HG LEU 34 3.479 -1.383 -3.872 259 HD11 LEU 34 HD11 LEU 34 5.458 -1.040 -2.479 260 HD12 LEU 34 HD12 LEU 34 4.070 -0.117 -1.906 261 HD13 LEU 34 HD13 LEU 34 5.363 0.695 -2.788 262 HD21 LEU 34 HD21 LEU 34 2.445 0.815 -3.546 263 HD22 LEU 34 HD22 LEU 34 2.573 0.388 -5.252 264 HD23 LEU 34 HD23 LEU 34 3.702 1.543 -4.546 265 H LEU 35 HN LEU 35 3.649 -2.107 -7.110 266 HA LEU 35 HA LEU 35 1.531 -3.339 -5.717 267 HB2 LEU 35 HB2 LEU 35 1.965 -2.815 -8.656 268 HB3 LEU 35 HB1 LEU 35 0.448 -3.328 -7.955 269 HG LEU 35 HG LEU 35 1.846 -0.777 -7.167 270 HD11 LEU 35 HD11 LEU 35 0.266 0.399 -8.588 271 HD12 LEU 35 HD12 LEU 35 -0.395 -1.139 -9.152 272 HD13 LEU 35 HD13 LEU 35 1.269 -0.697 -9.540 273 HD21 LEU 35 HD21 LEU 35 0.288 -1.626 -5.510 274 HD22 LEU 35 HD22 LEU 35 -0.970 -1.766 -6.737 275 HD23 LEU 35 HD23 LEU 35 -0.361 -0.177 -6.278 276 H LYS 36 HN LYS 36 3.967 -4.499 -7.894 277 HA LYS 36 HA LYS 36 2.815 -6.965 -8.603 278 HB2 LYS 36 HB2 LYS 36 4.723 -5.789 -9.766 279 HB3 LYS 36 HB1 LYS 36 5.763 -6.303 -8.449 280 HG2 LYS 36 HG2 LYS 36 4.215 -8.275 -10.091 281 HG3 LYS 36 HG1 LYS 36 5.789 -7.666 -10.602 282 HD2 LYS 36 HD2 LYS 36 6.794 -8.503 -8.546 283 HD3 LYS 36 HD1 LYS 36 5.219 -9.060 -7.984 284 HE2 LYS 36 HE2 LYS 36 5.094 -10.602 -9.883 285 HE3 LYS 36 HE1 LYS 36 6.675 -10.048 -10.433 286 HZ1 LYS 36 HZ1 LYS 36 6.118 -11.396 -7.844 287 HZ2 LYS 36 HZ2 LYS 36 7.636 -10.867 -8.371 288 HZ3 LYS 36 HZ3 LYS 36 6.844 -12.112 -9.195 289 H ALA 37 HN ALA 37 5.033 -6.034 -6.008 290 HA ALA 37 HA ALA 37 5.608 -8.576 -5.019 291 HB1 ALA 37 HB1 ALA 37 6.222 -7.468 -2.949 292 HB2 ALA 37 HB2 ALA 37 5.349 -6.017 -3.445 293 HB3 ALA 37 HB3 ALA 37 6.784 -6.530 -4.333 294 H LEU 38 HN LEU 38 2.937 -6.405 -4.323 295 HA LEU 38 HA LEU 38 1.822 -7.848 -2.157 296 HB2 LEU 38 HB2 LEU 38 0.039 -6.329 -3.964 297 HB3 LEU 38 HB1 LEU 38 0.146 -6.301 -2.214 298 HG LEU 38 HG LEU 38 2.163 -5.032 -4.041 299 HD11 LEU 38 HD11 LEU 38 -0.134 -3.774 -2.566 300 HD12 LEU 38 HD12 LEU 38 -0.023 -4.018 -4.311 301 HD13 LEU 38 HD13 LEU 38 1.100 -2.922 -3.499 302 HD21 LEU 38 HD21 LEU 38 1.676 -4.643 -1.091 303 HD22 LEU 38 HD22 LEU 38 2.980 -3.954 -2.064 304 HD23 LEU 38 HD23 LEU 38 2.925 -5.696 -1.768 305 H GLU 39 HN GLU 39 0.841 -7.552 -5.541 306 HA GLU 39 HA GLU 39 -1.077 -9.529 -5.673 307 HB2 GLU 39 HB2 GLU 39 0.984 -8.832 -7.774 308 HB3 GLU 39 HB1 GLU 39 -0.499 -9.736 -8.070 309 HG2 GLU 39 HG2 GLU 39 -1.762 -7.748 -7.240 310 HG3 GLU 39 HG1 GLU 39 -0.237 -6.868 -7.218 311 H THR 40 HN THR 40 2.385 -9.854 -5.508 312 HA THR 40 HA THR 40 2.416 -12.661 -6.065 313 HB THR 40 HB THR 40 4.450 -10.796 -4.857 314 HG1 THR 40 HG1 THR 40 3.819 -10.798 -7.204 315 HG21 THR 40 HG21 THR 40 6.070 -12.616 -5.077 316 HG22 THR 40 HG22 THR 40 4.775 -13.711 -5.565 317 HG23 THR 40 HG23 THR 40 4.787 -13.027 -3.935 318 H MET 41 HN MET 41 2.404 -10.674 -3.124 319 HA MET 41 HA MET 41 3.190 -12.668 -1.339 320 HB2 MET 41 HB2 MET 41 1.446 -10.263 -0.763 321 HB3 MET 41 HB1 MET 41 2.279 -11.228 0.441 322 HG2 MET 41 HG2 MET 41 4.378 -10.547 -1.054 323 HG3 MET 41 HG1 MET 41 3.327 -9.198 -1.433 324 HE1 MET 41 HE1 MET 41 2.722 -7.284 0.153 325 HE2 MET 41 HE2 MET 41 2.891 -7.356 1.908 326 HE3 MET 41 HE3 MET 41 1.763 -8.435 1.084 327 H PHE 42 HN PHE 42 -0.136 -11.488 -1.952 328 HA PHE 42 HA PHE 42 -1.118 -13.923 -0.626 329 HB2 PHE 42 HB2 PHE 42 -3.326 -12.274 -1.109 330 HB3 PHE 42 HB1 PHE 42 -2.507 -12.526 0.429 331 HD1 PHE 42 HD1 PHE 42 -2.800 -10.313 -2.488 332 HD2 PHE 42 HD2 PHE 42 -1.089 -10.860 1.367 333 HE1 PHE 42 HE1 PHE 42 -2.150 -7.954 -2.450 334 HE2 PHE 42 HE2 PHE 42 -0.433 -8.493 1.408 335 HZ PHE 42 HZ PHE 42 -0.966 -7.047 -0.510 336 H LYS 43 HN LYS 43 -0.281 -13.117 -3.529 337 HA LYS 43 HA LYS 43 -0.675 -13.898 -5.618 338 HB2 LYS 43 HB2 LYS 43 -2.201 -16.055 -4.162 339 HB3 LYS 43 HB1 LYS 43 -1.597 -16.151 -5.809 340 HG2 LYS 43 HG2 LYS 43 0.240 -17.076 -4.983 341 HG3 LYS 43 HG1 LYS 43 0.635 -15.505 -4.282 342 HD2 LYS 43 HD2 LYS 43 0.725 -17.180 -2.552 343 HD3 LYS 43 HD1 LYS 43 -0.668 -16.134 -2.264 344 HE2 LYS 43 HE2 LYS 43 -2.123 -17.816 -3.316 345 HE3 LYS 43 HE1 LYS 43 -0.726 -18.861 -3.556 346 HZ1 LYS 43 HZ1 LYS 43 -1.972 -19.501 -1.602 347 HZ2 LYS 43 HZ2 LYS 43 -1.785 -17.961 -0.935 348 HZ3 LYS 43 HZ3 LYS 43 -0.435 -18.953 -1.158 349 H LEU 44 HN LEU 44 -2.374 -11.842 -5.111 350 HA LEU 44 HA LEU 44 -4.616 -12.634 -6.786 351 HB2 LEU 44 HB2 LEU 44 -6.133 -11.131 -5.429 352 HB3 LEU 44 HB1 LEU 44 -5.747 -12.699 -4.761 353 HG LEU 44 HG LEU 44 -3.910 -11.409 -3.456 354 HD11 LEU 44 HD11 LEU 44 -4.128 -9.289 -4.616 355 HD12 LEU 44 HD12 LEU 44 -4.554 -9.103 -2.915 356 HD13 LEU 44 HD13 LEU 44 -5.820 -9.181 -4.140 357 HD21 LEU 44 HD21 LEU 44 -5.806 -12.532 -2.455 358 HD22 LEU 44 HD22 LEU 44 -6.836 -11.147 -2.813 359 HD23 LEU 44 HD23 LEU 44 -5.512 -10.986 -1.659 360 H THR 45 HN THR 45 -5.903 -10.391 -7.260 361 HA THR 45 HA THR 45 -3.801 -8.871 -8.605 362 HB THR 45 HB THR 45 -6.778 -8.912 -9.115 363 HG1 THR 45 HG1 THR 45 -5.977 -10.869 -9.734 364 HG21 THR 45 HG21 THR 45 -6.212 -7.817 -11.240 365 HG22 THR 45 HG22 THR 45 -4.522 -7.732 -10.746 366 HG23 THR 45 HG23 THR 45 -5.745 -6.820 -9.861 367 H ILE 46 HN ILE 46 -3.195 -6.979 -7.899 368 HA ILE 46 HA ILE 46 -4.990 -5.341 -6.260 369 HB ILE 46 HB ILE 46 -2.019 -5.042 -6.758 370 HG12 ILE 46 HG12 ILE 46 -2.488 -6.985 -5.343 371 HG13 ILE 46 HG11 ILE 46 -1.765 -5.692 -4.392 372 HG21 ILE 46 HG21 ILE 46 -3.784 -3.534 -4.835 373 HG22 ILE 46 HG22 ILE 46 -3.226 -2.912 -6.388 374 HG23 ILE 46 HG23 ILE 46 -2.061 -3.281 -5.112 375 HD11 ILE 46 HD11 ILE 46 -3.554 -6.753 -3.176 376 HD12 ILE 46 HD12 ILE 46 -4.679 -6.403 -4.485 377 HD13 ILE 46 HD13 ILE 46 -3.973 -5.084 -3.554 378 H GLY 47 HN GLY 47 -5.738 -3.431 -7.016 379 HA2 GLY 47 HA2 GLY 47 -5.176 -2.810 -9.800 380 HA3 GLY 47 HA1 GLY 47 -6.430 -2.088 -8.810 381 H GLU 48 HN GLU 48 -4.950 -0.556 -10.435 382 HA GLU 48 HA GLU 48 -2.665 0.584 -9.112 383 HB2 GLU 48 HB2 GLU 48 -2.997 2.319 -11.026 384 HB3 GLU 48 HB1 GLU 48 -2.441 0.697 -11.404 385 HG2 GLU 48 HG2 GLU 48 -4.104 1.438 -12.999 386 HG3 GLU 48 HG1 GLU 48 -4.695 0.064 -12.075 387 H TYR 49 HN TYR 49 -2.590 3.071 -9.050 388 HA TYR 49 HA TYR 49 -4.624 3.975 -7.237 389 HB2 TYR 49 HB2 TYR 49 -2.151 4.628 -7.128 390 HB3 TYR 49 HB1 TYR 49 -2.487 5.709 -8.481 391 HD1 TYR 49 HD2 TYR 49 -3.237 4.999 -4.966 392 HD2 TYR 49 HD1 TYR 49 -3.689 7.779 -8.142 393 HE1 TYR 49 HE2 TYR 49 -4.098 6.645 -3.358 394 HE2 TYR 49 HE1 TYR 49 -4.533 9.459 -6.553 395 HH TYR 49 HH TYR 49 -4.253 9.181 -3.219 396 H SER 50 HN SER 50 -6.513 4.035 -8.331 397 HA SER 50 HA SER 50 -7.121 5.003 -10.804 398 HB2 SER 50 HB2 SER 50 -8.900 4.009 -9.782 399 HB3 SER 50 HB1 SER 50 -8.621 4.822 -8.249 400 HG SER 50 HG SER 50 -10.037 5.648 -10.494 401 H GLU 51 HN GLU 51 -7.531 6.892 -11.735 402 HA GLU 51 HA GLU 51 -6.323 9.217 -10.604 403 HB2 GLU 51 HB2 GLU 51 -6.251 8.599 -13.024 404 HB3 GLU 51 HB1 GLU 51 -7.962 8.984 -13.128 405 HG2 GLU 51 HG2 GLU 51 -7.540 11.278 -12.612 406 HG3 GLU 51 HG1 GLU 51 -5.844 10.936 -12.284 407 H ARG 52 HN ARG 52 -9.431 7.876 -10.357 408 HA ARG 52 HA ARG 52 -10.586 10.497 -9.866 409 HB2 ARG 52 HB2 ARG 52 -12.784 9.514 -10.120 410 HB3 ARG 52 HB1 ARG 52 -11.783 9.208 -11.527 411 HG2 ARG 52 HG2 ARG 52 -12.584 7.128 -11.323 412 HG3 ARG 52 HG1 ARG 52 -11.311 6.980 -10.110 413 HD2 ARG 52 HD2 ARG 52 -13.381 6.137 -9.201 414 HD3 ARG 52 HD1 ARG 52 -12.929 7.625 -8.371 415 HE ARG 52 HE ARG 52 -14.587 8.742 -9.885 416 HH11 ARG 52 HH11 ARG 52 -14.908 5.361 -9.034 417 HH12 ARG 52 HH12 ARG 52 -16.620 5.328 -9.300 418 HH21 ARG 52 HH21 ARG 52 -16.837 8.707 -10.218 419 HH22 ARG 52 HH22 ARG 52 -17.719 7.231 -9.981 420 H GLU 53 HN GLU 53 -10.374 7.275 -8.301 421 HA GLU 53 HA GLU 53 -10.913 8.711 -5.773 422 HB2 GLU 53 HB2 GLU 53 -11.666 5.961 -6.657 423 HB3 GLU 53 HB1 GLU 53 -11.373 6.255 -4.951 424 HG2 GLU 53 HG2 GLU 53 -13.099 7.928 -4.905 425 HG3 GLU 53 HG1 GLU 53 -13.354 7.741 -6.636 426 H GLY 54 HN GLY 54 -8.867 6.579 -7.488 427 HA2 GLY 54 HA2 GLY 54 -6.858 5.591 -7.110 428 HA3 GLY 54 HA1 GLY 54 -6.546 6.969 -6.077 429 H TYR 55 HN TYR 55 -9.170 5.109 -4.927 430 HA TYR 55 HA TYR 55 -7.303 3.671 -3.159 431 HB2 TYR 55 HB2 TYR 55 -9.939 4.878 -2.317 432 HB3 TYR 55 HB1 TYR 55 -8.787 4.051 -1.283 433 HD1 TYR 55 HD2 TYR 55 -6.216 5.249 -2.088 434 HD2 TYR 55 HD1 TYR 55 -10.029 7.066 -1.580 435 HE1 TYR 55 HE2 TYR 55 -5.126 7.387 -1.605 436 HE2 TYR 55 HE1 TYR 55 -8.940 9.211 -1.115 437 HH TYR 55 HH TYR 55 -5.500 9.677 -1.504 438 H LYS 56 HN LYS 56 -9.400 3.191 -5.533 439 HA LYS 56 HA LYS 56 -11.294 1.416 -4.536 440 HB2 LYS 56 HB2 LYS 56 -11.009 0.456 -7.042 441 HB3 LYS 56 HB1 LYS 56 -11.950 1.875 -6.629 442 HG2 LYS 56 HG2 LYS 56 -10.672 2.456 -8.508 443 HG3 LYS 56 HG1 LYS 56 -9.902 3.249 -7.141 444 HD2 LYS 56 HD2 LYS 56 -8.212 2.327 -8.588 445 HD3 LYS 56 HD1 LYS 56 -8.232 1.421 -7.083 446 HE2 LYS 56 HE2 LYS 56 -9.494 -0.365 -8.140 447 HE3 LYS 56 HE1 LYS 56 -9.582 0.559 -9.637 448 HZ1 LYS 56 HZ1 LYS 56 -7.048 -0.368 -8.390 449 HZ2 LYS 56 HZ2 LYS 56 -7.220 0.380 -9.904 450 HZ3 LYS 56 HZ3 LYS 56 -7.849 -1.177 -9.646 451 H GLY 57 HN GLY 57 -7.980 0.813 -5.504 452 HA2 GLY 57 HA2 GLY 57 -6.619 -1.011 -5.306 453 HA3 GLY 57 HA1 GLY 57 -7.690 -1.517 -4.014 454 H SER 58 HN SER 58 -9.635 -1.317 -6.616 455 HA SER 58 HA SER 58 -10.699 -2.812 -7.916 456 HB2 SER 58 HB2 SER 58 -8.115 -4.385 -7.806 457 HB3 SER 58 HB1 SER 58 -9.473 -4.724 -8.881 458 HG SER 58 HG SER 58 -8.853 -3.161 -10.141 459 H GLU 59 HN GLU 59 -8.790 -5.244 -6.129 460 HA GLU 59 HA GLU 59 -11.237 -5.760 -4.587 461 HB2 GLU 59 HB2 GLU 59 -10.642 -7.623 -6.128 462 HB3 GLU 59 HB1 GLU 59 -9.137 -7.821 -5.233 463 HG2 GLU 59 HG2 GLU 59 -10.335 -8.330 -3.224 464 HG3 GLU 59 HG1 GLU 59 -11.872 -7.979 -4.000 465 H TYR 60 HN TYR 60 -7.896 -4.991 -4.465 466 HA TYR 60 HA TYR 60 -8.147 -4.811 -1.573 467 HB2 TYR 60 HB2 TYR 60 -6.097 -6.472 -2.976 468 HB3 TYR 60 HB1 TYR 60 -5.642 -5.626 -1.509 469 HD1 TYR 60 HD2 TYR 60 -6.704 -6.160 0.601 470 HD2 TYR 60 HD1 TYR 60 -7.615 -8.377 -2.899 471 HE1 TYR 60 HE2 TYR 60 -7.722 -7.887 1.997 472 HE2 TYR 60 HE1 TYR 60 -8.649 -10.132 -1.522 473 HH TYR 60 HH TYR 60 -8.641 -10.967 0.723 474 H ALA 61 HN ALA 61 -7.527 -2.939 -0.878 475 HA ALA 61 HA ALA 61 -5.853 -1.261 -2.608 476 HB1 ALA 61 HB1 ALA 61 -7.633 -0.481 -0.296 477 HB2 ALA 61 HB2 ALA 61 -8.058 -0.357 -2.003 478 HB3 ALA 61 HB3 ALA 61 -6.752 0.630 -1.344 479 HA PRO 62 HA PRO 62 -2.713 -2.061 0.606 480 HB2 PRO 62 HB2 PRO 62 -0.664 -1.093 -0.926 481 HB3 PRO 62 HB1 PRO 62 -1.209 -2.774 -0.976 482 HG2 PRO 62 HG2 PRO 62 -1.848 -0.515 -2.832 483 HG3 PRO 62 HG1 PRO 62 -1.496 -2.212 -3.207 484 HD2 PRO 62 HD2 PRO 62 -4.007 -1.234 -3.188 485 HD3 PRO 62 HD1 PRO 62 -3.635 -2.907 -2.707 486 H THR 63 HN THR 63 -2.591 -0.599 2.151 487 HA THR 63 HA THR 63 -2.378 2.229 1.396 488 HB THR 63 HB THR 63 -3.791 2.823 3.317 489 HG1 THR 63 HG1 THR 63 -3.708 0.050 3.720 490 HG21 THR 63 HG21 THR 63 -5.085 0.848 1.430 491 HG22 THR 63 HG22 THR 63 -4.840 2.576 1.137 492 HG23 THR 63 HG23 THR 63 -5.934 2.041 2.415 493 H TYR 64 HN TYR 64 -1.490 3.582 3.096 494 HA TYR 64 HA TYR 64 0.489 2.118 4.710 495 HB2 TYR 64 HB2 TYR 64 2.139 3.723 4.175 496 HB3 TYR 64 HB1 TYR 64 1.350 3.369 2.643 497 HD1 TYR 64 HD1 TYR 64 -0.810 4.991 2.240 498 HD2 TYR 64 HD2 TYR 64 2.624 5.930 4.559 499 HE1 TYR 64 HE1 TYR 64 -1.264 7.375 1.922 500 HE2 TYR 64 HE2 TYR 64 2.190 8.327 4.245 501 HH TYR 64 HH TYR 64 1.037 9.809 2.822 502 H GLU 65 HN GLU 65 1.261 3.367 6.589 503 HA GLU 65 HA GLU 65 -0.866 5.093 7.651 504 HB2 GLU 65 HB2 GLU 65 -0.199 3.088 8.994 505 HB3 GLU 65 HB1 GLU 65 1.407 3.800 9.166 506 HG2 GLU 65 HG2 GLU 65 0.422 5.729 10.299 507 HG3 GLU 65 HG1 GLU 65 -1.175 5.003 10.141 508 H ASP 66 HN ASP 66 -0.537 7.163 7.472 509 HA ASP 66 HA ASP 66 2.101 8.230 6.914 510 HB2 ASP 66 HB2 ASP 66 -0.049 8.948 5.741 511 HB3 ASP 66 HB1 ASP 66 -0.488 9.769 7.231 512 H LYS 67 HN LYS 67 1.935 10.750 8.108 513 HA LYS 67 HA LYS 67 3.134 10.081 10.581 514 HB2 LYS 67 HB2 LYS 67 2.505 12.655 9.184 515 HB3 LYS 67 HB1 LYS 67 3.142 12.659 10.822 516 HG2 LYS 67 HG2 LYS 67 5.184 11.786 10.174 517 HG3 LYS 67 HG1 LYS 67 4.533 11.106 8.683 518 HD2 LYS 67 HD2 LYS 67 4.277 14.007 8.841 519 HD3 LYS 67 HD1 LYS 67 5.950 13.449 8.894 520 HE2 LYS 67 HE2 LYS 67 5.096 13.900 6.594 521 HE3 LYS 67 HE1 LYS 67 5.694 12.260 6.838 522 HZ1 LYS 67 HZ1 LYS 67 3.650 12.174 5.625 523 HZ2 LYS 67 HZ2 LYS 67 2.852 13.121 6.777 524 HZ3 LYS 67 HZ3 LYS 67 3.358 11.558 7.174 525 H ASP 68 HN ASP 68 0.098 11.714 9.750 526 HA ASP 68 HA ASP 68 -0.661 12.016 12.515 527 HB2 ASP 68 HB2 ASP 68 -1.318 13.678 10.822 528 HB3 ASP 68 HB1 ASP 68 -2.261 12.452 9.983 529 H GLY 69 HN GLY 69 -0.581 9.414 10.515 530 HA2 GLY 69 HA2 GLY 69 -1.359 7.267 11.097 531 HA3 GLY 69 HA1 GLY 69 -2.595 8.011 12.101 532 H ASP 70 HN ASP 70 -2.096 9.199 8.906 533 HA ASP 70 HA ASP 70 -4.759 8.496 8.108 534 HB2 ASP 70 HB2 ASP 70 -2.484 9.682 6.501 535 HB3 ASP 70 HB1 ASP 70 -4.146 9.536 5.945 536 H TRP 71 HN TRP 71 -5.414 6.880 6.785 537 HA TRP 71 HA TRP 71 -3.323 5.132 5.659 538 HB2 TRP 71 HB2 TRP 71 -6.157 4.440 6.483 539 HB3 TRP 71 HB1 TRP 71 -5.045 3.332 5.688 540 HD1 TRP 71 HD1 TRP 71 -5.747 4.964 9.064 541 HE1 TRP 71 HE1 TRP 71 -4.376 3.748 10.872 542 HE3 TRP 71 HE3 TRP 71 -2.874 2.005 6.043 543 HZ2 TRP 71 HZ2 TRP 71 -2.341 1.791 10.992 544 HZ3 TRP 71 HZ3 TRP 71 -1.238 0.493 7.085 545 HH2 TRP 71 HH2 TRP 71 -0.977 0.390 9.508 546 H MET 72 HN MET 72 -3.095 5.541 3.564 547 HA MET 72 HA MET 72 -5.475 5.497 1.874 548 HB2 MET 72 HB2 MET 72 -3.268 7.511 1.439 549 HB3 MET 72 HB1 MET 72 -4.774 7.362 0.553 550 HG2 MET 72 HG2 MET 72 -6.040 8.170 2.372 551 HG3 MET 72 HG1 MET 72 -4.662 8.058 3.466 552 HE1 MET 72 HE1 MET 72 -2.316 10.874 2.101 553 HE2 MET 72 HE2 MET 72 -2.316 9.195 1.557 554 HE3 MET 72 HE3 MET 72 -2.507 9.570 3.272 555 H LEU 73 HN LEU 73 -4.721 5.230 -0.504 556 HA LEU 73 HA LEU 73 -3.105 2.942 -0.654 557 HB2 LEU 73 HB2 LEU 73 -4.834 4.179 -2.340 558 HB3 LEU 73 HB1 LEU 73 -3.305 4.561 -3.094 559 HG LEU 73 HG LEU 73 -2.827 2.041 -2.955 560 HD11 LEU 73 HD11 LEU 73 -4.826 0.644 -2.902 561 HD12 LEU 73 HD12 LEU 73 -5.803 2.068 -2.546 562 HD13 LEU 73 HD13 LEU 73 -4.594 1.519 -1.388 563 HD21 LEU 73 HD21 LEU 73 -3.220 3.065 -5.077 564 HD22 LEU 73 HD22 LEU 73 -4.950 3.186 -4.758 565 HD23 LEU 73 HD23 LEU 73 -4.204 1.605 -4.999 566 H VAL 74 HN VAL 74 -1.077 2.623 -1.584 567 HA VAL 74 HA VAL 74 0.813 4.752 -1.198 568 HB VAL 74 HB VAL 74 1.219 1.970 -2.308 569 HG11 VAL 74 HG11 VAL 74 3.610 2.384 -2.005 570 HG12 VAL 74 HG12 VAL 74 3.267 4.039 -1.500 571 HG13 VAL 74 HG13 VAL 74 2.916 3.531 -3.152 572 HG21 VAL 74 HG21 VAL 74 0.570 1.947 0.013 573 HG22 VAL 74 HG22 VAL 74 1.756 3.196 0.390 574 HG23 VAL 74 HG23 VAL 74 2.295 1.591 -0.104 575 H GLY 75 HN GLY 75 1.628 6.076 -2.678 576 HA2 GLY 75 HA2 GLY 75 2.081 6.678 -4.982 577 HA3 GLY 75 HA1 GLY 75 0.670 5.729 -5.441 578 H ASP 76 HN ASP 76 -0.159 7.180 -2.646 579 HA ASP 76 HA ASP 76 -1.878 9.093 -3.791 580 HB2 ASP 76 HB2 ASP 76 -2.158 8.099 -1.506 581 HB3 ASP 76 HB1 ASP 76 -0.818 9.104 -0.955 582 H VAL 77 HN VAL 77 1.221 9.479 -2.104 583 HA VAL 77 HA VAL 77 1.545 12.056 -3.485 584 HB VAL 77 HB VAL 77 2.938 12.855 -1.754 585 HG11 VAL 77 HG11 VAL 77 0.734 11.289 -0.420 586 HG12 VAL 77 HG12 VAL 77 0.582 12.887 -1.155 587 HG13 VAL 77 HG13 VAL 77 1.589 12.667 0.275 588 HG21 VAL 77 HG21 VAL 77 3.847 11.567 0.048 589 HG22 VAL 77 HG22 VAL 77 4.247 10.759 -1.468 590 HG23 VAL 77 HG23 VAL 77 2.944 10.141 -0.453 591 HA PRO 78 HA PRO 78 4.832 10.589 -6.002 592 HB2 PRO 78 HB2 PRO 78 6.595 12.613 -4.698 593 HB3 PRO 78 HB1 PRO 78 6.328 12.292 -6.416 594 HG2 PRO 78 HG2 PRO 78 5.185 14.383 -5.253 595 HG3 PRO 78 HG1 PRO 78 4.296 13.413 -6.444 596 HD2 PRO 78 HD2 PRO 78 4.029 13.481 -3.475 597 HD3 PRO 78 HD1 PRO 78 2.786 13.236 -4.718 598 H TRP 79 HN TRP 79 6.178 8.962 -5.903 599 HA TRP 79 HA TRP 79 6.572 7.354 -3.810 600 HB2 TRP 79 HB2 TRP 79 7.049 6.847 -6.180 601 HB3 TRP 79 HB1 TRP 79 8.551 7.751 -6.055 602 HD1 TRP 79 HD1 TRP 79 10.633 6.462 -5.211 603 HE1 TRP 79 HE1 TRP 79 11.053 4.061 -4.392 604 HE3 TRP 79 HE3 TRP 79 5.781 4.904 -4.758 605 HZ2 TRP 79 HZ2 TRP 79 9.524 1.806 -3.661 606 HZ3 TRP 79 HZ3 TRP 79 5.352 2.624 -4.002 607 HH2 TRP 79 HH2 TRP 79 7.183 1.097 -3.459 608 H ASP 80 HN ASP 80 9.037 9.714 -4.858 609 HA ASP 80 HA ASP 80 11.060 9.002 -3.115 610 HB2 ASP 80 HB2 ASP 80 11.396 10.554 -4.960 611 HB3 ASP 80 HB1 ASP 80 10.389 11.754 -4.164 612 H MET 81 HN MET 81 8.413 11.297 -2.534 613 HA MET 81 HA MET 81 9.341 11.828 0.162 614 HB2 MET 81 HB2 MET 81 6.821 12.663 -1.282 615 HB3 MET 81 HB1 MET 81 7.233 13.156 0.353 616 HG2 MET 81 HG2 MET 81 9.266 14.237 -0.524 617 HG3 MET 81 HG1 MET 81 8.759 13.810 -2.154 618 HE1 MET 81 HE1 MET 81 6.496 14.688 -3.254 619 HE2 MET 81 HE2 MET 81 5.433 15.876 -2.504 620 HE3 MET 81 HE3 MET 81 5.535 14.245 -1.843 621 H PHE 82 HN PHE 82 7.170 9.709 -1.458 622 HA PHE 82 HA PHE 82 5.309 9.248 0.593 623 HB2 PHE 82 HB2 PHE 82 5.154 8.600 -1.893 624 HB3 PHE 82 HB1 PHE 82 6.082 7.169 -1.445 625 HD1 PHE 82 HD1 PHE 82 5.146 5.701 0.450 626 HD2 PHE 82 HD2 PHE 82 2.875 8.639 -1.637 627 HE1 PHE 82 HE1 PHE 82 3.053 4.654 1.227 628 HE2 PHE 82 HE2 PHE 82 0.794 7.600 -0.866 629 HZ PHE 82 HZ PHE 82 0.874 5.619 0.577 630 H VAL 83 HN VAL 83 8.313 7.598 -0.259 631 HA VAL 83 HA VAL 83 7.911 5.333 1.345 632 HB VAL 83 HB VAL 83 10.643 6.447 0.764 633 HG11 VAL 83 HG11 VAL 83 11.127 3.998 0.540 634 HG12 VAL 83 HG12 VAL 83 9.492 3.702 1.139 635 HG13 VAL 83 HG13 VAL 83 10.669 4.533 2.156 636 HG21 VAL 83 HG21 VAL 83 10.571 5.256 -1.386 637 HG22 VAL 83 HG22 VAL 83 9.418 6.587 -1.318 638 HG23 VAL 83 HG23 VAL 83 8.857 4.924 -1.131 639 H THR 84 HN THR 84 9.517 8.400 2.045 640 HA THR 84 HA THR 84 10.353 7.548 4.655 641 HB THR 84 HB THR 84 11.074 9.914 4.922 642 HG1 THR 84 HG1 THR 84 9.620 11.043 3.669 643 HG21 THR 84 HG21 THR 84 11.888 8.580 2.335 644 HG22 THR 84 HG22 THR 84 12.580 8.268 3.929 645 HG23 THR 84 HG23 THR 84 12.798 9.843 3.166 646 H SER 85 HN SER 85 7.531 8.902 3.292 647 HA SER 85 HA SER 85 6.554 10.083 5.742 648 HB2 SER 85 HB2 SER 85 6.035 10.937 3.402 649 HB3 SER 85 HB1 SER 85 4.998 9.527 3.206 650 HG SER 85 HG SER 85 3.543 10.396 4.490 651 H CYS 86 HN CYS 86 6.505 7.023 4.186 652 HA CYS 86 HA CYS 86 4.185 6.082 5.664 653 HB2 CYS 86 HB2 CYS 86 4.344 5.332 3.383 654 HB3 CYS 86 HB1 CYS 86 5.981 4.741 3.645 655 HG CYS 86 HG CYS 86 4.370 2.509 3.430 656 H LYS 87 HN LYS 87 4.236 4.810 7.384 657 HA LYS 87 HA LYS 87 6.865 3.924 8.339 658 HB2 LYS 87 HB2 LYS 87 6.179 4.404 10.641 659 HB3 LYS 87 HB1 LYS 87 6.219 5.841 9.639 660 HG2 LYS 87 HG2 LYS 87 3.676 5.415 9.368 661 HG3 LYS 87 HG1 LYS 87 3.878 4.423 10.817 662 HD2 LYS 87 HD2 LYS 87 5.095 6.451 11.802 663 HD3 LYS 87 HD1 LYS 87 4.396 7.361 10.464 664 HE2 LYS 87 HE2 LYS 87 2.975 7.630 12.355 665 HE3 LYS 87 HE1 LYS 87 2.151 6.578 11.209 666 HZ1 LYS 87 HZ1 LYS 87 2.457 4.739 12.532 667 HZ2 LYS 87 HZ2 LYS 87 2.205 5.949 13.693 668 HZ3 LYS 87 HZ3 LYS 87 3.772 5.407 13.365 669 H ARG 88 HN ARG 88 3.465 3.218 8.075 670 HA ARG 88 HA ARG 88 4.090 0.396 8.538 671 HB2 ARG 88 HB2 ARG 88 1.694 1.828 9.696 672 HB3 ARG 88 HB1 ARG 88 1.952 0.090 9.737 673 HG2 ARG 88 HG2 ARG 88 3.990 0.455 11.063 674 HG3 ARG 88 HG1 ARG 88 3.641 2.187 11.065 675 HD2 ARG 88 HD2 ARG 88 1.572 1.812 12.237 676 HD3 ARG 88 HD1 ARG 88 1.777 0.067 12.121 677 HE ARG 88 HE ARG 88 3.763 0.373 13.587 678 HH11 ARG 88 HH11 ARG 88 1.301 2.864 13.523 679 HH12 ARG 88 HH12 ARG 88 1.517 3.294 15.195 680 HH21 ARG 88 HH21 ARG 88 4.057 0.956 15.785 681 HH22 ARG 88 HH22 ARG 88 3.089 2.220 16.469 682 H LEU 89 HN LEU 89 2.216 -1.007 7.752 683 HA LEU 89 HA LEU 89 0.986 0.191 5.369 684 HB2 LEU 89 HB2 LEU 89 3.261 -1.022 5.123 685 HB3 LEU 89 HB1 LEU 89 2.331 -2.490 5.314 686 HG LEU 89 HG LEU 89 0.965 -1.725 3.329 687 HD11 LEU 89 HD11 LEU 89 1.536 0.634 3.377 688 HD12 LEU 89 HD12 LEU 89 2.043 -0.083 1.846 689 HD13 LEU 89 HD13 LEU 89 3.236 0.242 3.107 690 HD21 LEU 89 HD21 LEU 89 2.738 -2.389 1.723 691 HD22 LEU 89 HD22 LEU 89 2.596 -3.461 3.115 692 HD23 LEU 89 HD23 LEU 89 3.905 -2.281 3.044 693 H ARG 90 HN ARG 90 -1.046 -0.535 4.952 694 HA ARG 90 HA ARG 90 -1.791 -3.184 5.939 695 HB2 ARG 90 HB2 ARG 90 -2.796 -1.775 7.603 696 HB3 ARG 90 HB1 ARG 90 -3.429 -0.686 6.373 697 HG2 ARG 90 HG2 ARG 90 -4.944 -2.382 5.582 698 HG3 ARG 90 HG1 ARG 90 -4.250 -3.565 6.686 699 HD2 ARG 90 HD2 ARG 90 -6.418 -2.605 7.428 700 HD3 ARG 90 HD1 ARG 90 -5.097 -2.400 8.583 701 HE ARG 90 HE ARG 90 -5.057 -0.089 7.154 702 HH11 ARG 90 HH11 ARG 90 -7.579 -1.799 8.860 703 HH12 ARG 90 HH12 ARG 90 -8.415 -0.356 9.340 704 HH21 ARG 90 HH21 ARG 90 -6.160 1.825 7.788 705 HH22 ARG 90 HH22 ARG 90 -7.607 1.697 8.737 706 H ILE 91 HN ILE 91 -2.702 -4.357 4.401 707 HA ILE 91 HA ILE 91 -3.827 -2.945 2.076 708 HB ILE 91 HB ILE 91 -2.910 -5.802 2.075 709 HG12 ILE 91 HG12 ILE 91 -1.332 -3.331 1.307 710 HG13 ILE 91 HG11 ILE 91 -1.021 -4.340 2.709 711 HG21 ILE 91 HG21 ILE 91 -4.418 -5.224 0.269 712 HG22 ILE 91 HG22 ILE 91 -2.791 -5.456 -0.371 713 HG23 ILE 91 HG23 ILE 91 -3.424 -3.827 -0.142 714 HD11 ILE 91 HD11 ILE 91 -0.726 -5.135 -0.170 715 HD12 ILE 91 HD12 ILE 91 -0.470 -6.202 1.214 716 HD13 ILE 91 HD13 ILE 91 0.572 -4.799 0.976 717 H MET 92 HN MET 92 -5.881 -3.555 1.407 718 HA MET 92 HA MET 92 -7.324 -5.500 2.948 719 HB2 MET 92 HB2 MET 92 -8.938 -3.674 3.791 720 HB3 MET 92 HB1 MET 92 -7.428 -4.000 4.636 721 HG2 MET 92 HG2 MET 92 -6.395 -2.079 3.567 722 HG3 MET 92 HG1 MET 92 -7.880 -1.743 2.675 723 HE1 MET 92 HE1 MET 92 -6.228 0.307 4.599 724 HE2 MET 92 HE2 MET 92 -7.579 1.146 5.360 725 HE3 MET 92 HE3 MET 92 -7.633 0.770 3.638 726 H LYS 93 HN LYS 93 -9.326 -5.954 2.324 727 HA LYS 93 HA LYS 93 -9.815 -6.064 -0.354 728 HB2 LYS 93 HB2 LYS 93 -10.852 -7.261 1.769 729 HB3 LYS 93 HB1 LYS 93 -12.143 -6.095 1.492 730 HG2 LYS 93 HG2 LYS 93 -12.577 -6.944 -0.661 731 HG3 LYS 93 HG1 LYS 93 -11.092 -7.893 -0.657 732 HD2 LYS 93 HD2 LYS 93 -13.057 -9.306 -0.292 733 HD3 LYS 93 HD1 LYS 93 -11.986 -9.315 1.109 734 HE2 LYS 93 HE2 LYS 93 -13.428 -7.769 2.274 735 HE3 LYS 93 HE1 LYS 93 -14.453 -7.600 0.849 736 HZ1 LYS 93 HZ1 LYS 93 -14.050 -10.110 2.380 737 HZ2 LYS 93 HZ2 LYS 93 -15.062 -9.915 1.042 738 HZ3 LYS 93 HZ3 LYS 93 -15.406 -9.108 2.484 739 H GLY 94 HN GLY 94 -11.291 -5.184 -1.770 740 HA2 GLY 94 HA2 GLY 94 -11.269 -2.369 -1.811 741 HA3 GLY 94 HA1 GLY 94 -12.150 -3.408 -2.914 742 H THR 95 HN THR 95 -13.664 -4.606 -0.755 743 HA THR 95 HA THR 95 -15.868 -2.833 -0.693 744 HB THR 95 HB THR 95 -16.861 -4.470 0.907 745 HG1 THR 95 HG1 THR 95 -15.175 -5.311 2.019 746 HG21 THR 95 HG21 THR 95 -16.950 -6.343 -0.675 747 HG22 THR 95 HG22 THR 95 -15.578 -5.666 -1.551 748 HG23 THR 95 HG23 THR 95 -17.109 -4.793 -1.500 749 H GLU 96 HN GLU 96 -13.075 -3.053 1.226 750 HA GLU 96 HA GLU 96 -14.339 -1.689 3.495 751 HB2 GLU 96 HB2 GLU 96 -11.509 -2.728 3.346 752 HB3 GLU 96 HB1 GLU 96 -12.415 -2.281 4.782 753 HG2 GLU 96 HG2 GLU 96 -12.867 -4.669 3.010 754 HG3 GLU 96 HG1 GLU 96 -12.267 -4.664 4.666 755 H ALA 97 HN ALA 97 -12.949 -0.902 0.655 756 HA ALA 97 HA ALA 97 -10.814 0.791 1.266 757 HB1 ALA 97 HB1 ALA 97 -11.058 1.678 -0.978 758 HB2 ALA 97 HB2 ALA 97 -12.660 0.948 -1.101 759 HB3 ALA 97 HB3 ALA 97 -11.230 -0.078 -0.963 760 H LYS 98 HN LYS 98 -14.246 1.484 1.301 761 HA LYS 98 HA LYS 98 -14.114 4.273 1.279 762 HB2 LYS 98 HB2 LYS 98 -16.304 4.318 2.207 763 HB3 LYS 98 HB1 LYS 98 -16.224 2.938 1.130 764 HG2 LYS 98 HG2 LYS 98 -15.763 2.602 4.066 765 HG3 LYS 98 HG1 LYS 98 -17.397 2.707 3.418 766 HD2 LYS 98 HD2 LYS 98 -15.303 0.685 2.610 767 HD3 LYS 98 HD1 LYS 98 -16.667 0.385 3.682 768 HE2 LYS 98 HE2 LYS 98 -16.810 1.151 0.769 769 HE3 LYS 98 HE1 LYS 98 -17.154 -0.433 1.456 770 HZ1 LYS 98 HZ1 LYS 98 -18.995 0.581 2.690 771 HZ2 LYS 98 HZ2 LYS 98 -19.187 0.727 1.020 772 HZ3 LYS 98 HZ3 LYS 98 -18.693 2.062 1.930 773 H GLY 99 HN GLY 99 -13.219 2.017 3.712 774 HA2 GLY 99 HA2 GLY 99 -13.465 3.746 5.953 775 HA3 GLY 99 HA1 GLY 99 -12.595 2.226 5.904 776 H LEU 100 HN LEU 100 -11.018 3.348 3.516 777 HA LEU 100 HA LEU 100 -9.101 4.834 5.181 778 HB2 LEU 100 HB2 LEU 100 -7.402 4.096 3.711 779 HB3 LEU 100 HB1 LEU 100 -8.433 2.702 3.982 780 HG LEU 100 HG LEU 100 -9.513 3.987 1.745 781 HD11 LEU 100 HD11 LEU 100 -7.589 4.070 0.203 782 HD12 LEU 100 HD12 LEU 100 -6.508 3.841 1.573 783 HD13 LEU 100 HD13 LEU 100 -7.508 5.290 1.472 784 HD21 LEU 100 HD21 LEU 100 -9.345 1.542 2.261 785 HD22 LEU 100 HD22 LEU 100 -7.661 1.603 1.748 786 HD23 LEU 100 HD23 LEU 100 -8.945 1.967 0.599 787 H GLY 101 HN GLY 101 -11.166 5.078 2.459 788 HA2 GLY 101 HA2 GLY 101 -9.830 7.518 1.522 789 HA3 GLY 101 HA1 GLY 101 -11.012 6.584 0.612 790 H CYS 102 HN CYS 102 -10.982 7.899 3.842 791 HA CYS 102 HA CYS 102 -13.734 8.669 3.550 792 HB2 CYS 102 HB2 CYS 102 -11.856 9.113 5.870 793 HB3 CYS 102 HB1 CYS 102 -13.598 9.362 5.906 794 HG CYS 102 HG CYS 102 -13.203 6.341 4.847 795 H GLY 103 HN GLY 103 -11.090 10.092 2.448 796 HA2 GLY 103 HA2 GLY 103 -11.877 12.804 3.110 797 HA3 GLY 103 HA1 GLY 103 -10.471 12.316 2.174 798 H VAL 104 HN VAL 104 -11.256 10.963 0.161 799 HA VAL 104 HA VAL 104 -12.829 12.819 -1.405 800 HB VAL 104 HB VAL 104 -10.682 11.764 -2.228 801 HG11 VAL 104 HG11 VAL 104 -10.799 9.529 -3.206 802 HG12 VAL 104 HG12 VAL 104 -12.438 9.340 -2.583 803 HG13 VAL 104 HG13 VAL 104 -11.082 9.489 -1.466 804 HG21 VAL 104 HG21 VAL 104 -11.477 11.475 -4.538 805 HG22 VAL 104 HG22 VAL 104 -12.162 12.903 -3.765 806 HG23 VAL 104 HG23 VAL 104 -13.138 11.447 -3.948 807 H GLY 105 HN GLY 105 -13.779 10.752 0.658 808 HA2 GLY 105 HA2 GLY 105 -15.628 9.447 1.036 809 HA3 GLY 105 HA1 GLY 105 -16.363 10.350 -0.281 810 H SER 106 HN SER 106 -13.691 8.001 -0.145 811 HA SER 106 HA SER 106 -14.243 6.855 -2.629 812 HB2 SER 106 HB2 SER 106 -12.096 6.617 -1.348 813 HB3 SER 106 HB1 SER 106 -12.912 5.466 -0.291 814 HG SER 106 HG SER 106 -13.036 5.051 -3.062 815 H HIS 107 HN HIS 107 -15.268 4.947 -3.239 816 HA HIS 107 HA HIS 107 -17.528 4.316 -1.499 817 HB2 HIS 107 HB2 HIS 107 -17.068 3.825 -4.438 818 HB3 HIS 107 HB1 HIS 107 -18.486 3.256 -3.562 819 HD1 HIS 107 HD1 HIS 107 -20.419 4.787 -3.677 820 HD2 HIS 107 HD2 HIS 107 -16.816 6.801 -4.131 821 HE1 HIS 107 HE1 HIS 107 -21.037 7.181 -4.143 822 HE2 HIS 107 HE2 HIS 107 -18.835 8.407 -4.230 Start of MODEL 3 1 H1 HIS 1 HT1 HIS 1 22.862 0.029 -2.786 2 H2 HIS 1 HT2 HIS 1 22.985 -0.545 -4.370 3 H3 HIS 1 HT3 HIS 1 21.957 0.752 -4.021 4 HA HIS 1 HA HIS 1 24.912 0.726 -3.863 5 HB2 HIS 1 HB2 HIS 1 23.940 0.866 -6.149 6 HB3 HIS 1 HB1 HIS 1 23.069 2.315 -5.660 7 HD1 HIS 1 HD1 HIS 1 24.196 4.324 -6.545 8 HD2 HIS 1 HD2 HIS 1 26.924 1.375 -5.485 9 HE1 HIS 1 HE1 HIS 1 26.465 5.295 -7.020 10 HE2 HIS 1 HE2 HIS 1 28.074 3.416 -6.572 11 H GLU 2 HN GLU 2 21.914 2.406 -3.086 12 HA GLU 2 HA GLU 2 23.492 4.476 -1.733 13 HB2 GLU 2 HB2 GLU 2 20.612 4.450 -2.630 14 HB3 GLU 2 HB1 GLU 2 21.290 5.703 -1.601 15 HG2 GLU 2 HG2 GLU 2 22.918 6.238 -3.364 16 HG3 GLU 2 HG1 GLU 2 22.168 5.024 -4.396 17 H ALA 3 HN ALA 3 24.018 3.377 0.117 18 HA ALA 3 HA ALA 3 23.805 2.599 2.236 19 HB1 ALA 3 HB1 ALA 3 22.027 3.519 3.611 20 HB2 ALA 3 HB2 ALA 3 21.152 4.032 2.168 21 HB3 ALA 3 HB3 ALA 3 22.707 4.765 2.566 22 H ASP 4 HN ASP 4 23.370 0.655 0.534 23 HA ASP 4 HA ASP 4 22.602 -1.472 0.394 24 HB2 ASP 4 HB2 ASP 4 22.709 -1.393 2.886 25 HB3 ASP 4 HB1 ASP 4 21.029 -0.873 2.908 26 H VAL 5 HN VAL 5 20.752 -2.708 -0.305 27 HA VAL 5 HA VAL 5 18.650 -0.993 -1.380 28 HB VAL 5 HB VAL 5 19.071 -3.946 -1.891 29 HG11 VAL 5 HG11 VAL 5 16.827 -3.166 -2.406 30 HG12 VAL 5 HG12 VAL 5 17.709 -3.535 -3.888 31 HG13 VAL 5 HG13 VAL 5 17.490 -1.859 -3.387 32 HG21 VAL 5 HG21 VAL 5 20.156 -3.284 -3.982 33 HG22 VAL 5 HG22 VAL 5 21.048 -2.689 -2.582 34 HG23 VAL 5 HG23 VAL 5 20.030 -1.589 -3.512 35 H GLY 6 HN GLY 6 17.803 -0.625 0.756 36 HA2 GLY 6 HA2 GLY 6 15.498 -1.457 1.562 37 HA3 GLY 6 HA1 GLY 6 16.404 -2.910 1.967 38 H GLY 7 HN GLY 7 15.113 -1.682 4.006 39 HA2 GLY 7 HA2 GLY 7 16.891 -1.560 6.014 40 HA3 GLY 7 HA1 GLY 7 16.986 0.073 5.362 41 H ILE 8 HN ILE 8 14.326 0.359 4.585 42 HA ILE 8 HA ILE 8 13.078 0.657 7.174 43 HB ILE 8 HB ILE 8 12.369 1.771 4.470 44 HG12 ILE 8 HG12 ILE 8 12.624 3.888 6.036 45 HG13 ILE 8 HG11 ILE 8 13.558 2.752 7.004 46 HG21 ILE 8 HG21 ILE 8 10.847 2.111 7.054 47 HG22 ILE 8 HG22 ILE 8 10.295 1.204 5.645 48 HG23 ILE 8 HG23 ILE 8 10.521 2.949 5.537 49 HD11 ILE 8 HD11 ILE 8 14.986 4.047 5.556 50 HD12 ILE 8 HD12 ILE 8 14.108 3.447 4.148 51 HD13 ILE 8 HD13 ILE 8 15.027 2.329 5.160 52 H PHE 9 HN PHE 9 12.078 -1.073 7.858 53 HA PHE 9 HA PHE 9 10.774 -2.873 5.987 54 HB2 PHE 9 HB2 PHE 9 11.324 -3.040 8.950 55 HB3 PHE 9 HB1 PHE 9 10.369 -4.238 8.082 56 HD1 PHE 9 HD2 PHE 9 11.404 -5.729 6.478 57 HD2 PHE 9 HD1 PHE 9 13.709 -2.912 8.682 58 HE1 PHE 9 HE2 PHE 9 13.456 -6.938 5.868 59 HE2 PHE 9 HE1 PHE 9 15.765 -4.116 8.074 60 HZ PHE 9 HZ PHE 9 15.640 -6.129 6.666 61 H VAL 10 HN VAL 10 8.640 -3.059 5.749 62 HA VAL 10 HA VAL 10 6.957 -1.434 7.532 63 HB VAL 10 HB VAL 10 5.781 -2.237 4.988 64 HG11 VAL 10 HG11 VAL 10 4.839 -0.035 5.035 65 HG12 VAL 10 HG12 VAL 10 5.953 0.449 6.322 66 HG13 VAL 10 HG13 VAL 10 4.709 -0.764 6.637 67 HG21 VAL 10 HG21 VAL 10 7.909 -0.103 4.953 68 HG22 VAL 10 HG22 VAL 10 6.892 -0.604 3.602 69 HG23 VAL 10 HG23 VAL 10 8.094 -1.714 4.258 70 H LYS 11 HN LYS 11 5.191 -2.368 8.362 71 HA LYS 11 HA LYS 11 5.019 -5.282 8.074 72 HB2 LYS 11 HB2 LYS 11 3.999 -3.532 10.319 73 HB3 LYS 11 HB1 LYS 11 3.954 -5.289 10.271 74 HG2 LYS 11 HG2 LYS 11 6.332 -5.427 10.404 75 HG3 LYS 11 HG1 LYS 11 6.497 -3.682 10.209 76 HD2 LYS 11 HD2 LYS 11 6.806 -4.246 12.529 77 HD3 LYS 11 HD1 LYS 11 5.283 -3.375 12.349 78 HE2 LYS 11 HE2 LYS 11 4.051 -5.462 12.440 79 HE3 LYS 11 HE1 LYS 11 5.558 -6.372 12.525 80 HZ1 LYS 11 HZ1 LYS 11 4.561 -4.455 14.559 81 HZ2 LYS 11 HZ2 LYS 11 6.034 -5.277 14.643 82 HZ3 LYS 11 HZ3 LYS 11 4.580 -6.137 14.705 83 H VAL 12 HN VAL 12 3.127 -6.192 7.448 84 HA VAL 12 HA VAL 12 0.989 -4.284 6.756 85 HB VAL 12 HB VAL 12 1.406 -4.619 4.596 86 HG11 VAL 12 HG11 VAL 12 3.096 -6.284 3.805 87 HG12 VAL 12 HG12 VAL 12 3.267 -6.805 5.487 88 HG13 VAL 12 HG13 VAL 12 3.673 -5.147 5.025 89 HG21 VAL 12 HG21 VAL 12 0.723 -7.508 5.111 90 HG22 VAL 12 HG22 VAL 12 0.833 -6.760 3.519 91 HG23 VAL 12 HG23 VAL 12 -0.401 -6.226 4.662 92 H SER 13 HN SER 13 -0.958 -4.758 7.366 93 HA SER 13 HA SER 13 -1.531 -7.457 8.389 94 HB2 SER 13 HB2 SER 13 -3.185 -6.245 9.883 95 HB3 SER 13 HB1 SER 13 -1.486 -5.913 10.221 96 HG SER 13 HG SER 13 -3.439 -4.271 9.043 97 H MET 14 HN MET 14 -3.728 -8.208 8.169 98 HA MET 14 HA MET 14 -5.086 -7.062 5.820 99 HB2 MET 14 HB2 MET 14 -4.328 -9.294 5.371 100 HB3 MET 14 HB1 MET 14 -4.981 -9.882 6.892 101 HG2 MET 14 HG2 MET 14 -6.297 -10.543 4.905 102 HG3 MET 14 HG1 MET 14 -7.221 -9.646 6.106 103 HE1 MET 14 HE1 MET 14 -5.600 -7.676 2.284 104 HE2 MET 14 HE2 MET 14 -5.124 -9.287 2.832 105 HE3 MET 14 HE3 MET 14 -4.653 -7.858 3.758 106 H ASP 15 HN ASP 15 -7.312 -6.752 5.865 107 HA ASP 15 HA ASP 15 -8.509 -6.825 8.554 108 HB2 ASP 15 HB2 ASP 15 -8.177 -4.557 7.482 109 HB3 ASP 15 HB1 ASP 15 -9.357 -5.043 6.270 110 H GLY 16 HN GLY 16 -10.514 -7.708 8.831 111 HA2 GLY 16 HA2 GLY 16 -12.530 -8.735 8.219 112 HA3 GLY 16 HA1 GLY 16 -12.027 -8.674 6.535 113 H ALA 17 HN ALA 17 -9.466 -9.841 6.949 114 HA ALA 17 HA ALA 17 -10.039 -12.467 8.136 115 HB1 ALA 17 HB1 ALA 17 -8.609 -12.008 5.515 116 HB2 ALA 17 HB2 ALA 17 -10.205 -12.731 5.715 117 HB3 ALA 17 HB3 ALA 17 -8.778 -13.559 6.340 118 HA PRO 18 HA PRO 18 -6.185 -11.547 10.113 119 HB2 PRO 18 HB2 PRO 18 -5.581 -13.979 11.119 120 HB3 PRO 18 HB1 PRO 18 -6.898 -12.995 11.766 121 HG2 PRO 18 HG2 PRO 18 -7.019 -15.319 9.895 122 HG3 PRO 18 HG1 PRO 18 -8.078 -14.924 11.243 123 HD2 PRO 18 HD2 PRO 18 -8.684 -14.423 8.623 124 HD3 PRO 18 HD1 PRO 18 -9.349 -13.499 9.982 125 H TYR 19 HN TYR 19 -4.380 -11.167 9.009 126 HA TYR 19 HA TYR 19 -2.766 -13.385 8.086 127 HB2 TYR 19 HB2 TYR 19 -3.776 -11.251 6.208 128 HB3 TYR 19 HB1 TYR 19 -2.257 -12.079 5.914 129 HD1 TYR 19 HD1 TYR 19 -2.266 -14.543 5.504 130 HD2 TYR 19 HD2 TYR 19 -5.861 -12.278 5.698 131 HE1 TYR 19 HE1 TYR 19 -3.465 -16.355 4.356 132 HE2 TYR 19 HE2 TYR 19 -7.069 -14.086 4.551 133 HH TYR 19 HH TYR 19 -6.564 -15.965 3.045 134 H LEU 20 HN LEU 20 -0.590 -12.931 8.187 135 HA LEU 20 HA LEU 20 0.134 -10.173 8.916 136 HB2 LEU 20 HB2 LEU 20 1.224 -12.722 10.112 137 HB3 LEU 20 HB1 LEU 20 1.826 -11.111 10.453 138 HG LEU 20 HG LEU 20 -0.968 -12.069 11.088 139 HD11 LEU 20 HD11 LEU 20 0.722 -13.221 12.430 140 HD12 LEU 20 HD12 LEU 20 -0.231 -12.104 13.408 141 HD13 LEU 20 HD13 LEU 20 1.403 -11.666 12.907 142 HD21 LEU 20 HD21 LEU 20 -1.082 -10.013 12.432 143 HD22 LEU 20 HD22 LEU 20 -0.869 -9.673 10.715 144 HD23 LEU 20 HD23 LEU 20 0.500 -9.536 11.818 145 H ARG 21 HN ARG 21 1.186 -9.452 7.173 146 HA ARG 21 HA ARG 21 3.399 -11.108 6.135 147 HB2 ARG 21 HB2 ARG 21 1.869 -9.076 4.505 148 HB3 ARG 21 HB1 ARG 21 3.028 -10.260 3.928 149 HG2 ARG 21 HG2 ARG 21 0.290 -10.857 5.032 150 HG3 ARG 21 HG1 ARG 21 0.756 -10.881 3.331 151 HD2 ARG 21 HD2 ARG 21 1.894 -12.660 5.486 152 HD3 ARG 21 HD1 ARG 21 0.666 -13.133 4.315 153 HE ARG 21 HE ARG 21 3.231 -12.178 3.288 154 HH11 ARG 21 HH11 ARG 21 1.101 -14.868 3.982 155 HH12 ARG 21 HH12 ARG 21 1.934 -15.970 2.933 156 HH21 ARG 21 HH21 ARG 21 4.317 -13.623 1.877 157 HH22 ARG 21 HH22 ARG 21 3.749 -15.255 1.725 158 H LYS 22 HN LYS 22 5.308 -9.869 5.479 159 HA LYS 22 HA LYS 22 5.258 -7.015 6.110 160 HB2 LYS 22 HB2 LYS 22 7.329 -8.879 7.284 161 HB3 LYS 22 HB1 LYS 22 7.371 -7.127 7.359 162 HG2 LYS 22 HG2 LYS 22 6.590 -7.693 9.441 163 HG3 LYS 22 HG1 LYS 22 5.103 -7.351 8.557 164 HD2 LYS 22 HD2 LYS 22 4.975 -9.837 8.087 165 HD3 LYS 22 HD1 LYS 22 6.267 -10.031 9.275 166 HE2 LYS 22 HE2 LYS 22 4.002 -10.352 10.226 167 HE3 LYS 22 HE1 LYS 22 4.907 -9.043 10.990 168 HZ1 LYS 22 HZ1 LYS 22 2.942 -8.582 8.809 169 HZ2 LYS 22 HZ2 LYS 22 3.648 -7.436 9.831 170 HZ3 LYS 22 HZ3 LYS 22 2.529 -8.532 10.455 171 H ILE 23 HN ILE 23 6.728 -5.791 4.984 172 HA ILE 23 HA ILE 23 8.608 -7.078 3.184 173 HB ILE 23 HB ILE 23 7.673 -5.486 1.327 174 HG12 ILE 23 HG12 ILE 23 5.386 -5.814 3.230 175 HG13 ILE 23 HG11 ILE 23 5.962 -4.358 2.449 176 HG21 ILE 23 HG21 ILE 23 6.301 -7.329 0.471 177 HG22 ILE 23 HG22 ILE 23 6.390 -8.108 2.049 178 HG23 ILE 23 HG23 ILE 23 7.856 -7.876 1.096 179 HD11 ILE 23 HD11 ILE 23 3.815 -5.088 1.551 180 HD12 ILE 23 HD12 ILE 23 4.544 -6.619 1.066 181 HD13 ILE 23 HD13 ILE 23 5.080 -5.113 0.322 182 H ASP 24 HN ASP 24 9.611 -5.185 1.757 183 HA ASP 24 HA ASP 24 10.450 -3.163 3.740 184 HB2 ASP 24 HB2 ASP 24 12.251 -4.743 3.186 185 HB3 ASP 24 HB1 ASP 24 12.067 -4.368 1.476 186 H LEU 25 HN LEU 25 10.418 -1.098 3.219 187 HA LEU 25 HA LEU 25 8.649 -0.270 1.190 188 HB2 LEU 25 HB2 LEU 25 9.082 0.680 3.512 189 HB3 LEU 25 HB1 LEU 25 10.481 1.464 2.813 190 HG LEU 25 HG LEU 25 9.000 2.689 1.264 191 HD11 LEU 25 HD11 LEU 25 6.819 1.351 2.857 192 HD12 LEU 25 HD12 LEU 25 7.164 1.106 1.144 193 HD13 LEU 25 HD13 LEU 25 6.577 2.672 1.713 194 HD21 LEU 25 HD21 LEU 25 9.698 3.603 3.453 195 HD22 LEU 25 HD22 LEU 25 8.214 2.957 4.159 196 HD23 LEU 25 HD23 LEU 25 8.133 4.209 2.916 197 H ARG 26 HN ARG 26 12.153 -0.310 1.416 198 HA ARG 26 HA ARG 26 12.493 1.739 -0.589 199 HB2 ARG 26 HB2 ARG 26 14.584 -0.076 0.572 200 HB3 ARG 26 HB1 ARG 26 14.831 1.431 -0.296 201 HG2 ARG 26 HG2 ARG 26 13.679 2.631 1.517 202 HG3 ARG 26 HG1 ARG 26 13.562 1.110 2.408 203 HD2 ARG 26 HD2 ARG 26 15.468 2.339 3.212 204 HD3 ARG 26 HD1 ARG 26 16.030 0.924 2.323 205 HE ARG 26 HE ARG 26 15.852 3.413 0.834 206 HH11 ARG 26 HH11 ARG 26 17.883 1.187 2.623 207 HH12 ARG 26 HH12 ARG 26 19.359 1.764 1.917 208 HH21 ARG 26 HH21 ARG 26 17.781 4.176 -0.095 209 HH22 ARG 26 HH22 ARG 26 19.305 3.472 0.364 210 H VAL 27 HN VAL 27 12.430 -1.731 -0.489 211 HA VAL 27 HA VAL 27 14.120 -2.175 -2.720 212 HB VAL 27 HB VAL 27 13.369 -4.491 -2.650 213 HG11 VAL 27 HG11 VAL 27 13.906 -3.275 0.052 214 HG12 VAL 27 HG12 VAL 27 15.109 -3.797 -1.127 215 HG13 VAL 27 HG13 VAL 27 14.071 -4.984 -0.342 216 HG21 VAL 27 HG21 VAL 27 11.401 -3.534 -0.576 217 HG22 VAL 27 HG22 VAL 27 11.731 -5.220 -0.975 218 HG23 VAL 27 HG23 VAL 27 11.011 -4.153 -2.180 219 H TYR 28 HN TYR 28 11.080 -0.862 -2.797 220 HA TYR 28 HA TYR 28 10.227 -2.237 -5.207 221 HB2 TYR 28 HB2 TYR 28 9.064 0.300 -4.060 222 HB3 TYR 28 HB1 TYR 28 8.299 -0.819 -5.183 223 HD1 TYR 28 HD2 TYR 28 8.317 -3.371 -4.151 224 HD2 TYR 28 HD1 TYR 28 8.242 0.251 -1.924 225 HE1 TYR 28 HE2 TYR 28 7.303 -4.557 -2.248 226 HE2 TYR 28 HE1 TYR 28 7.223 -0.924 -0.032 227 HH TYR 28 HH TYR 28 7.090 -4.298 0.163 228 H GLY 29 HN GLY 29 11.890 0.650 -4.270 229 HA2 GLY 29 HA2 GLY 29 13.015 2.264 -5.431 230 HA3 GLY 29 HA1 GLY 29 13.221 1.037 -6.664 231 H GLY 30 HN GLY 30 9.969 1.860 -5.995 232 HA2 GLY 30 HA2 GLY 30 9.335 4.067 -7.390 233 HA3 GLY 30 HA1 GLY 30 9.712 2.921 -8.669 234 H TYR 31 HN TYR 31 7.277 3.790 -8.824 235 HA TYR 31 HA TYR 31 5.363 2.563 -7.130 236 HB2 TYR 31 HB2 TYR 31 4.999 3.703 -9.905 237 HB3 TYR 31 HB1 TYR 31 3.706 3.326 -8.769 238 HD1 TYR 31 HD2 TYR 31 4.658 4.350 -6.261 239 HD2 TYR 31 HD1 TYR 31 5.066 5.999 -10.154 240 HE1 TYR 31 HE2 TYR 31 4.873 6.586 -5.279 241 HE2 TYR 31 HE1 TYR 31 5.280 8.251 -9.188 242 HH TYR 31 HH TYR 31 4.547 9.392 -7.024 243 H SER 32 HN SER 32 6.932 1.556 -10.084 244 HA SER 32 HA SER 32 5.031 -0.284 -10.995 245 HB2 SER 32 HB2 SER 32 7.061 -1.391 -12.080 246 HB3 SER 32 HB1 SER 32 6.771 0.304 -12.487 247 HG SER 32 HG SER 32 8.778 0.533 -11.860 248 H GLU 33 HN GLU 33 7.974 -0.912 -9.081 249 HA GLU 33 HA GLU 33 7.233 -3.631 -8.656 250 HB2 GLU 33 HB2 GLU 33 9.415 -1.913 -7.496 251 HB3 GLU 33 HB1 GLU 33 9.185 -3.598 -7.047 252 HG2 GLU 33 HG2 GLU 33 9.418 -4.222 -9.429 253 HG3 GLU 33 HG1 GLU 33 9.761 -2.536 -9.802 254 H LEU 34 HN LEU 34 6.739 -0.651 -6.979 255 HA LEU 34 HA LEU 34 5.956 -1.574 -4.460 256 HB2 LEU 34 HB2 LEU 34 6.200 0.798 -4.964 257 HB3 LEU 34 HB1 LEU 34 4.903 0.708 -6.137 258 HG LEU 34 HG LEU 34 3.397 0.066 -4.163 259 HD11 LEU 34 HD11 LEU 34 5.698 1.274 -2.642 260 HD12 LEU 34 HD12 LEU 34 5.188 -0.413 -2.570 261 HD13 LEU 34 HD13 LEU 34 4.114 0.859 -1.985 262 HD21 LEU 34 HD21 LEU 34 3.069 2.432 -3.586 263 HD22 LEU 34 HD22 LEU 34 3.248 2.183 -5.321 264 HD23 LEU 34 HD23 LEU 34 4.592 2.823 -4.379 265 H LEU 35 HN LEU 35 3.940 -0.892 -7.304 266 HA LEU 35 HA LEU 35 1.581 -2.015 -6.221 267 HB2 LEU 35 HB2 LEU 35 2.358 -1.285 -9.042 268 HB3 LEU 35 HB1 LEU 35 0.737 -1.723 -8.540 269 HG LEU 35 HG LEU 35 2.222 0.590 -7.312 270 HD11 LEU 35 HD11 LEU 35 0.968 2.067 -8.783 271 HD12 LEU 35 HD12 LEU 35 0.304 0.671 -9.633 272 HD13 LEU 35 HD13 LEU 35 2.034 1.007 -9.704 273 HD21 LEU 35 HD21 LEU 35 -0.700 -0.146 -7.418 274 HD22 LEU 35 HD22 LEU 35 -0.035 1.312 -6.684 275 HD23 LEU 35 HD23 LEU 35 0.361 -0.269 -6.014 276 H LYS 36 HN LYS 36 4.114 -3.264 -8.305 277 HA LYS 36 HA LYS 36 2.732 -5.659 -8.977 278 HB2 LYS 36 HB2 LYS 36 5.590 -4.774 -9.281 279 HB3 LYS 36 HB1 LYS 36 5.100 -6.419 -9.676 280 HG2 LYS 36 HG2 LYS 36 3.993 -3.897 -10.898 281 HG3 LYS 36 HG1 LYS 36 5.139 -5.004 -11.655 282 HD2 LYS 36 HD2 LYS 36 3.504 -6.765 -11.686 283 HD3 LYS 36 HD1 LYS 36 2.371 -5.792 -10.750 284 HE2 LYS 36 HE2 LYS 36 2.317 -4.157 -12.613 285 HE3 LYS 36 HE1 LYS 36 3.331 -5.254 -13.552 286 HZ1 LYS 36 HZ1 LYS 36 1.623 -6.916 -13.457 287 HZ2 LYS 36 HZ2 LYS 36 0.947 -5.483 -14.049 288 HZ3 LYS 36 HZ3 LYS 36 0.666 -5.953 -12.445 289 H ALA 37 HN ALA 37 4.888 -4.754 -6.375 290 HA ALA 37 HA ALA 37 5.481 -7.287 -5.361 291 HB1 ALA 37 HB1 ALA 37 5.006 -4.755 -3.793 292 HB2 ALA 37 HB2 ALA 37 6.532 -5.237 -4.535 293 HB3 ALA 37 HB3 ALA 37 5.850 -6.193 -3.220 294 H LEU 38 HN LEU 38 2.667 -5.210 -4.798 295 HA LEU 38 HA LEU 38 1.365 -6.766 -2.861 296 HB2 LEU 38 HB2 LEU 38 -0.418 -5.608 -4.883 297 HB3 LEU 38 HB1 LEU 38 -0.401 -5.393 -3.146 298 HG LEU 38 HG LEU 38 1.596 -4.010 -4.904 299 HD11 LEU 38 HD11 LEU 38 -0.445 -3.339 -5.850 300 HD12 LEU 38 HD12 LEU 38 -0.007 -2.052 -4.722 301 HD13 LEU 38 HD13 LEU 38 -1.231 -3.241 -4.276 302 HD21 LEU 38 HD21 LEU 38 1.658 -2.426 -3.057 303 HD22 LEU 38 HD22 LEU 38 2.012 -4.056 -2.483 304 HD23 LEU 38 HD23 LEU 38 0.420 -3.348 -2.204 305 H GLU 39 HN GLU 39 0.902 -6.693 -6.378 306 HA GLU 39 HA GLU 39 -0.775 -8.851 -6.701 307 HB2 GLU 39 HB2 GLU 39 1.493 -7.949 -8.484 308 HB3 GLU 39 HB1 GLU 39 0.252 -9.098 -8.966 309 HG2 GLU 39 HG2 GLU 39 -1.434 -7.294 -8.453 310 HG3 GLU 39 HG1 GLU 39 -0.071 -6.184 -8.326 311 H THR 40 HN THR 40 2.629 -8.804 -6.013 312 HA THR 40 HA THR 40 3.117 -11.569 -6.549 313 HB THR 40 HB THR 40 4.627 -9.509 -4.942 314 HG1 THR 40 HG1 THR 40 4.509 -9.232 -7.259 315 HG21 THR 40 HG21 THR 40 6.515 -11.077 -4.980 316 HG22 THR 40 HG22 THR 40 5.476 -12.298 -5.714 317 HG23 THR 40 HG23 THR 40 5.137 -11.718 -4.078 318 H MET 41 HN MET 41 2.347 -9.657 -3.685 319 HA MET 41 HA MET 41 3.128 -11.452 -1.725 320 HB2 MET 41 HB2 MET 41 0.902 -9.409 -1.644 321 HB3 MET 41 HB1 MET 41 1.645 -10.151 -0.236 322 HG2 MET 41 HG2 MET 41 3.244 -8.600 -2.233 323 HG3 MET 41 HG1 MET 41 2.401 -7.815 -0.904 324 HE1 MET 41 HE1 MET 41 4.162 -9.156 2.233 325 HE2 MET 41 HE2 MET 41 2.726 -9.878 1.510 326 HE3 MET 41 HE3 MET 41 2.903 -8.124 1.551 327 H PHE 42 HN PHE 42 -0.203 -10.860 -2.870 328 HA PHE 42 HA PHE 42 -1.011 -13.352 -1.548 329 HB2 PHE 42 HB2 PHE 42 -3.245 -11.885 -2.613 330 HB3 PHE 42 HB1 PHE 42 -2.872 -12.271 -0.937 331 HD1 PHE 42 HD2 PHE 42 -1.672 -10.684 0.469 332 HD2 PHE 42 HD1 PHE 42 -2.687 -9.748 -3.557 333 HE1 PHE 42 HE2 PHE 42 -1.200 -8.313 0.902 334 HE2 PHE 42 HE1 PHE 42 -2.213 -7.381 -3.127 335 HZ PHE 42 HZ PHE 42 -1.468 -6.669 -0.905 336 H LYS 43 HN LYS 43 0.141 -12.602 -4.365 337 HA LYS 43 HA LYS 43 0.137 -13.518 -6.434 338 HB2 LYS 43 HB2 LYS 43 -1.404 -15.770 -5.134 339 HB3 LYS 43 HB1 LYS 43 -0.482 -15.857 -6.627 340 HG2 LYS 43 HG2 LYS 43 1.151 -16.662 -5.324 341 HG3 LYS 43 HG1 LYS 43 1.405 -14.973 -4.880 342 HD2 LYS 43 HD2 LYS 43 -0.111 -15.264 -2.966 343 HD3 LYS 43 HD1 LYS 43 -0.312 -16.962 -3.397 344 HE2 LYS 43 HE2 LYS 43 2.258 -15.609 -2.580 345 HE3 LYS 43 HE1 LYS 43 1.306 -16.721 -1.599 346 HZ1 LYS 43 HZ1 LYS 43 3.161 -17.865 -2.577 347 HZ2 LYS 43 HZ2 LYS 43 2.712 -17.375 -4.130 348 HZ3 LYS 43 HZ3 LYS 43 1.731 -18.448 -3.270 349 H LEU 44 HN LEU 44 -1.747 -11.611 -6.208 350 HA LEU 44 HA LEU 44 -3.700 -12.524 -8.149 351 HB2 LEU 44 HB2 LEU 44 -5.519 -11.250 -6.956 352 HB3 LEU 44 HB1 LEU 44 -5.052 -12.781 -6.259 353 HG LEU 44 HG LEU 44 -3.530 -11.293 -4.731 354 HD11 LEU 44 HD11 LEU 44 -5.666 -9.349 -5.585 355 HD12 LEU 44 HD12 LEU 44 -3.936 -9.196 -5.886 356 HD13 LEU 44 HD13 LEU 44 -4.554 -9.126 -4.236 357 HD21 LEU 44 HD21 LEU 44 -6.517 -11.476 -4.420 358 HD22 LEU 44 HD22 LEU 44 -5.364 -11.159 -3.122 359 HD23 LEU 44 HD23 LEU 44 -5.342 -12.708 -3.966 360 H THR 45 HN THR 45 -5.114 -10.288 -8.631 361 HA THR 45 HA THR 45 -2.922 -8.503 -9.461 362 HB THR 45 HB THR 45 -5.524 -8.939 -10.924 363 HG1 THR 45 HG1 THR 45 -3.150 -10.382 -10.870 364 HG21 THR 45 HG21 THR 45 -4.320 -7.898 -12.794 365 HG22 THR 45 HG22 THR 45 -2.907 -7.681 -11.763 366 HG23 THR 45 HG23 THR 45 -4.400 -6.814 -11.406 367 H ILE 46 HN ILE 46 -3.042 -6.945 -7.872 368 HA ILE 46 HA ILE 46 -5.358 -5.541 -7.111 369 HB ILE 46 HB ILE 46 -2.530 -4.469 -7.233 370 HG12 ILE 46 HG12 ILE 46 -2.489 -6.503 -5.923 371 HG13 ILE 46 HG11 ILE 46 -2.424 -5.130 -4.822 372 HG21 ILE 46 HG21 ILE 46 -4.242 -2.749 -6.930 373 HG22 ILE 46 HG22 ILE 46 -3.261 -2.942 -5.475 374 HG23 ILE 46 HG23 ILE 46 -4.883 -3.629 -5.542 375 HD11 ILE 46 HD11 ILE 46 -4.820 -5.378 -4.393 376 HD12 ILE 46 HD12 ILE 46 -3.901 -6.820 -3.962 377 HD13 ILE 46 HD13 ILE 46 -4.845 -6.789 -5.449 378 H GLY 47 HN GLY 47 -6.536 -4.092 -8.206 379 HA2 GLY 47 HA2 GLY 47 -5.864 -3.343 -10.871 380 HA3 GLY 47 HA1 GLY 47 -7.232 -2.751 -9.954 381 H GLU 48 HN GLU 48 -5.474 -1.288 -11.684 382 HA GLU 48 HA GLU 48 -3.481 0.099 -10.218 383 HB2 GLU 48 HB2 GLU 48 -4.845 0.850 -12.799 384 HB3 GLU 48 HB1 GLU 48 -3.377 1.580 -12.165 385 HG2 GLU 48 HG2 GLU 48 -2.220 -0.546 -12.337 386 HG3 GLU 48 HG1 GLU 48 -3.692 -1.308 -12.936 387 H TYR 49 HN TYR 49 -3.427 2.424 -9.878 388 HA TYR 49 HA TYR 49 -5.559 3.353 -8.293 389 HB2 TYR 49 HB2 TYR 49 -2.961 3.997 -8.486 390 HB3 TYR 49 HB1 TYR 49 -3.633 5.298 -9.457 391 HD1 TYR 49 HD2 TYR 49 -6.235 5.660 -7.858 392 HD2 TYR 49 HD1 TYR 49 -2.155 5.255 -6.696 393 HE1 TYR 49 HE2 TYR 49 -6.719 6.828 -5.736 394 HE2 TYR 49 HE1 TYR 49 -2.610 6.482 -4.624 395 HH TYR 49 HH TYR 49 -4.148 7.992 -3.690 396 H SER 50 HN SER 50 -7.430 3.295 -9.651 397 HA SER 50 HA SER 50 -7.731 4.831 -11.973 398 HB2 SER 50 HB2 SER 50 -9.415 3.220 -11.406 399 HB3 SER 50 HB1 SER 50 -9.778 4.056 -9.906 400 HG SER 50 HG SER 50 -10.732 4.495 -12.392 401 H GLU 51 HN GLU 51 -8.479 6.866 -12.298 402 HA GLU 51 HA GLU 51 -7.845 8.743 -10.226 403 HB2 GLU 51 HB2 GLU 51 -9.186 9.280 -12.894 404 HB3 GLU 51 HB1 GLU 51 -8.426 10.471 -11.850 405 HG2 GLU 51 HG2 GLU 51 -7.029 8.226 -13.284 406 HG3 GLU 51 HG1 GLU 51 -7.014 9.926 -13.745 407 H ARG 52 HN ARG 52 -10.618 6.952 -11.037 408 HA ARG 52 HA ARG 52 -12.535 8.972 -10.427 409 HB2 ARG 52 HB2 ARG 52 -13.110 7.477 -12.130 410 HB3 ARG 52 HB1 ARG 52 -12.674 6.074 -11.168 411 HG2 ARG 52 HG2 ARG 52 -14.789 7.761 -10.075 412 HG3 ARG 52 HG1 ARG 52 -15.190 6.909 -11.566 413 HD2 ARG 52 HD2 ARG 52 -14.436 4.804 -10.500 414 HD3 ARG 52 HD1 ARG 52 -14.159 5.695 -9.003 415 HE ARG 52 HE ARG 52 -16.624 6.201 -9.105 416 HH11 ARG 52 HH11 ARG 52 -15.306 3.334 -10.621 417 HH12 ARG 52 HH12 ARG 52 -16.779 2.432 -10.482 418 HH21 ARG 52 HH21 ARG 52 -18.557 5.009 -8.912 419 HH22 ARG 52 HH22 ARG 52 -18.627 3.381 -9.502 420 H GLU 53 HN GLU 53 -11.944 5.732 -8.933 421 HA GLU 53 HA GLU 53 -12.287 7.120 -6.354 422 HB2 GLU 53 HB2 GLU 53 -12.930 4.265 -7.059 423 HB3 GLU 53 HB1 GLU 53 -12.728 4.800 -5.400 424 HG2 GLU 53 HG2 GLU 53 -14.554 6.360 -5.662 425 HG3 GLU 53 HG1 GLU 53 -14.733 5.865 -7.340 426 H GLY 54 HN GLY 54 -10.503 5.047 -8.329 427 HA2 GLY 54 HA2 GLY 54 -8.541 3.940 -8.263 428 HA3 GLY 54 HA1 GLY 54 -8.000 5.380 -7.442 429 H TYR 55 HN TYR 55 -10.306 3.768 -5.588 430 HA TYR 55 HA TYR 55 -8.093 2.626 -4.043 431 HB2 TYR 55 HB2 TYR 55 -10.564 4.062 -3.190 432 HB3 TYR 55 HB1 TYR 55 -9.874 2.853 -2.113 433 HD1 TYR 55 HD1 TYR 55 -8.705 5.719 -4.209 434 HD2 TYR 55 HD2 TYR 55 -8.391 3.616 -0.526 435 HE1 TYR 55 HE1 TYR 55 -7.107 7.370 -3.421 436 HE2 TYR 55 HE2 TYR 55 -6.759 5.271 0.278 437 HH TYR 55 HH TYR 55 -6.148 8.221 -1.399 438 H LYS 56 HN LYS 56 -10.402 1.660 -6.050 439 HA LYS 56 HA LYS 56 -11.706 -0.395 -4.655 440 HB2 LYS 56 HB2 LYS 56 -12.344 -1.311 -6.767 441 HB3 LYS 56 HB1 LYS 56 -12.409 0.436 -6.893 442 HG2 LYS 56 HG2 LYS 56 -10.142 -1.255 -7.926 443 HG3 LYS 56 HG1 LYS 56 -11.506 -0.710 -8.898 444 HD2 LYS 56 HD2 LYS 56 -10.862 1.642 -8.294 445 HD3 LYS 56 HD1 LYS 56 -9.396 0.981 -7.570 446 HE2 LYS 56 HE2 LYS 56 -10.246 0.740 -10.452 447 HE3 LYS 56 HE1 LYS 56 -8.949 1.752 -9.824 448 HZ1 LYS 56 HZ1 LYS 56 -7.791 -0.267 -9.118 449 HZ2 LYS 56 HZ2 LYS 56 -8.069 -0.253 -10.782 450 HZ3 LYS 56 HZ3 LYS 56 -9.028 -1.215 -9.782 451 H GLY 57 HN GLY 57 -8.617 -0.298 -6.337 452 HA2 GLY 57 HA2 GLY 57 -6.786 -1.681 -6.257 453 HA3 GLY 57 HA1 GLY 57 -7.384 -2.163 -4.677 454 H SER 58 HN SER 58 -9.247 -2.669 -7.554 455 HA SER 58 HA SER 58 -10.265 -4.513 -8.365 456 HB2 SER 58 HB2 SER 58 -7.935 -5.350 -8.797 457 HB3 SER 58 HB1 SER 58 -7.967 -6.121 -7.214 458 HG SER 58 HG SER 58 -9.367 -7.584 -7.923 459 H GLU 59 HN GLU 59 -8.874 -6.348 -5.680 460 HA GLU 59 HA GLU 59 -11.376 -5.899 -4.208 461 HB2 GLU 59 HB2 GLU 59 -11.124 -8.233 -4.988 462 HB3 GLU 59 HB1 GLU 59 -9.631 -8.352 -4.060 463 HG2 GLU 59 HG2 GLU 59 -10.823 -7.975 -2.012 464 HG3 GLU 59 HG1 GLU 59 -12.323 -7.720 -2.887 465 H TYR 60 HN TYR 60 -8.013 -5.473 -4.212 466 HA TYR 60 HA TYR 60 -8.044 -5.104 -1.295 467 HB2 TYR 60 HB2 TYR 60 -5.968 -6.363 -3.049 468 HB3 TYR 60 HB1 TYR 60 -5.491 -5.592 -1.544 469 HD1 TYR 60 HD2 TYR 60 -7.095 -6.291 0.485 470 HD2 TYR 60 HD1 TYR 60 -6.339 -8.658 -2.955 471 HE1 TYR 60 HE2 TYR 60 -7.709 -8.281 1.758 472 HE2 TYR 60 HE1 TYR 60 -6.954 -10.684 -1.701 473 HH TYR 60 HH TYR 60 -8.470 -10.551 1.374 474 H ALA 61 HN ALA 61 -7.646 -3.135 -0.637 475 HA ALA 61 HA ALA 61 -6.268 -1.259 -2.424 476 HB1 ALA 61 HB1 ALA 61 -7.842 -0.717 0.086 477 HB2 ALA 61 HB2 ALA 61 -8.443 -0.538 -1.562 478 HB3 ALA 61 HB3 ALA 61 -7.138 0.498 -0.981 479 HA PRO 62 HA PRO 62 -2.785 -1.993 0.378 480 HB2 PRO 62 HB2 PRO 62 -0.919 -0.983 -1.295 481 HB3 PRO 62 HB1 PRO 62 -1.551 -2.625 -1.475 482 HG2 PRO 62 HG2 PRO 62 -2.345 -0.128 -2.934 483 HG3 PRO 62 HG1 PRO 62 -2.015 -1.739 -3.589 484 HD2 PRO 62 HD2 PRO 62 -4.523 -0.860 -3.163 485 HD3 PRO 62 HD1 PRO 62 -4.079 -2.573 -2.947 486 H THR 63 HN THR 63 -2.582 -0.586 1.964 487 HA THR 63 HA THR 63 -2.397 2.268 1.309 488 HB THR 63 HB THR 63 -3.760 2.805 3.283 489 HG1 THR 63 HG1 THR 63 -3.740 -0.004 3.576 490 HG21 THR 63 HG21 THR 63 -5.107 0.868 1.375 491 HG22 THR 63 HG22 THR 63 -4.916 2.611 1.150 492 HG23 THR 63 HG23 THR 63 -5.949 1.998 2.442 493 H TYR 64 HN TYR 64 -1.504 3.518 3.208 494 HA TYR 64 HA TYR 64 0.434 1.928 4.732 495 HB2 TYR 64 HB2 TYR 64 2.278 3.265 4.056 496 HB3 TYR 64 HB1 TYR 64 1.431 2.841 2.571 497 HD1 TYR 64 HD1 TYR 64 -0.476 4.614 1.923 498 HD2 TYR 64 HD2 TYR 64 2.957 5.446 4.278 499 HE1 TYR 64 HE1 TYR 64 -0.678 6.986 1.359 500 HE2 TYR 64 HE2 TYR 64 2.781 7.830 3.718 501 HH TYR 64 HH TYR 64 1.824 9.289 2.155 502 H GLU 65 HN GLU 65 1.495 3.235 6.420 503 HA GLU 65 HA GLU 65 -0.404 5.166 7.554 504 HB2 GLU 65 HB2 GLU 65 0.251 3.215 8.956 505 HB3 GLU 65 HB1 GLU 65 1.931 3.759 8.878 506 HG2 GLU 65 HG2 GLU 65 1.174 5.907 9.928 507 HG3 GLU 65 HG1 GLU 65 -0.394 5.146 10.187 508 H ASP 66 HN ASP 66 0.053 7.209 7.133 509 HA ASP 66 HA ASP 66 2.689 8.022 6.308 510 HB2 ASP 66 HB2 ASP 66 1.624 9.754 5.358 511 HB3 ASP 66 HB1 ASP 66 0.134 8.936 5.802 512 H LYS 67 HN LYS 67 3.407 10.241 7.286 513 HA LYS 67 HA LYS 67 4.528 9.888 9.735 514 HB2 LYS 67 HB2 LYS 67 3.701 12.507 8.502 515 HB3 LYS 67 HB1 LYS 67 4.902 12.311 9.772 516 HG2 LYS 67 HG2 LYS 67 6.440 11.324 8.347 517 HG3 LYS 67 HG1 LYS 67 5.206 10.872 7.174 518 HD2 LYS 67 HD2 LYS 67 6.164 13.672 7.755 519 HD3 LYS 67 HD1 LYS 67 6.570 12.707 6.335 520 HE2 LYS 67 HE2 LYS 67 3.919 13.892 7.103 521 HE3 LYS 67 HE1 LYS 67 4.847 14.139 5.627 522 HZ1 LYS 67 HZ1 LYS 67 3.500 11.611 6.429 523 HZ2 LYS 67 HZ2 LYS 67 4.411 11.837 5.012 524 HZ3 LYS 67 HZ3 LYS 67 2.964 12.689 5.234 525 H ASP 68 HN ASP 68 1.424 11.457 9.024 526 HA ASP 68 HA ASP 68 0.997 12.146 11.804 527 HB2 ASP 68 HB2 ASP 68 0.220 13.566 9.871 528 HB3 ASP 68 HB1 ASP 68 -0.979 12.325 9.523 529 H GLY 69 HN GLY 69 0.436 9.461 9.816 530 HA2 GLY 69 HA2 GLY 69 -0.254 7.363 10.673 531 HA3 GLY 69 HA1 GLY 69 -1.126 8.198 11.949 532 H ASP 70 HN ASP 70 -1.459 9.345 8.717 533 HA ASP 70 HA ASP 70 -4.212 8.354 8.639 534 HB2 ASP 70 HB2 ASP 70 -3.686 10.779 8.217 535 HB3 ASP 70 HB1 ASP 70 -2.835 10.288 6.759 536 H TRP 71 HN TRP 71 -4.990 7.108 6.898 537 HA TRP 71 HA TRP 71 -2.845 5.594 5.559 538 HB2 TRP 71 HB2 TRP 71 -5.609 4.669 6.387 539 HB3 TRP 71 HB1 TRP 71 -4.421 3.682 5.545 540 HD1 TRP 71 HD1 TRP 71 -4.944 5.410 8.956 541 HE1 TRP 71 HE1 TRP 71 -3.583 4.129 10.730 542 HE3 TRP 71 HE3 TRP 71 -2.554 2.090 5.895 543 HZ2 TRP 71 HZ2 TRP 71 -1.746 1.991 10.811 544 HZ3 TRP 71 HZ3 TRP 71 -1.009 0.461 6.901 545 HH2 TRP 71 HH2 TRP 71 -0.616 0.414 9.309 546 H MET 72 HN MET 72 -2.673 6.065 3.505 547 HA MET 72 HA MET 72 -5.120 6.158 1.871 548 HB2 MET 72 HB2 MET 72 -2.582 7.731 1.360 549 HB3 MET 72 HB1 MET 72 -3.981 7.681 0.306 550 HG2 MET 72 HG2 MET 72 -4.051 9.729 1.468 551 HG3 MET 72 HG1 MET 72 -5.309 8.707 2.152 552 HE1 MET 72 HE1 MET 72 -1.562 9.854 2.632 553 HE2 MET 72 HE2 MET 72 -1.502 8.119 2.954 554 HE3 MET 72 HE3 MET 72 -1.242 9.274 4.263 555 H LEU 73 HN LEU 73 -4.313 5.800 -0.573 556 HA LEU 73 HA LEU 73 -3.219 3.206 -0.691 557 HB2 LEU 73 HB2 LEU 73 -3.707 5.320 -2.751 558 HB3 LEU 73 HB1 LEU 73 -2.899 3.831 -3.172 559 HG LEU 73 HG LEU 73 -5.741 4.231 -2.311 560 HD11 LEU 73 HD11 LEU 73 -4.406 2.867 -4.636 561 HD12 LEU 73 HD12 LEU 73 -5.202 4.442 -4.661 562 HD13 LEU 73 HD13 LEU 73 -6.145 2.980 -4.369 563 HD21 LEU 73 HD21 LEU 73 -4.950 2.364 -0.987 564 HD22 LEU 73 HD22 LEU 73 -4.217 1.632 -2.416 565 HD23 LEU 73 HD23 LEU 73 -5.971 1.779 -2.300 566 H VAL 74 HN VAL 74 -1.259 2.468 -1.521 567 HA VAL 74 HA VAL 74 1.016 4.096 -0.912 568 HB VAL 74 HB VAL 74 2.357 2.167 -1.714 569 HG11 VAL 74 HG11 VAL 74 1.682 0.668 0.107 570 HG12 VAL 74 HG12 VAL 74 0.166 1.559 0.256 571 HG13 VAL 74 HG13 VAL 74 1.696 2.363 0.600 572 HG21 VAL 74 HG21 VAL 74 -0.341 0.888 -2.168 573 HG22 VAL 74 HG22 VAL 74 1.214 0.058 -2.236 574 HG23 VAL 74 HG23 VAL 74 0.828 1.310 -3.418 575 H GLY 75 HN GLY 75 2.438 5.059 -2.258 576 HA2 GLY 75 HA2 GLY 75 3.302 5.841 -4.273 577 HA3 GLY 75 HA1 GLY 75 2.107 4.879 -5.133 578 H ASP 76 HN ASP 76 0.659 6.582 -2.662 579 HA ASP 76 HA ASP 76 -0.880 8.177 -4.392 580 HB2 ASP 76 HB2 ASP 76 -1.614 7.436 -2.143 581 HB3 ASP 76 HB1 ASP 76 -0.466 8.561 -1.422 582 H VAL 77 HN VAL 77 1.662 9.176 -2.089 583 HA VAL 77 HA VAL 77 1.881 11.714 -3.533 584 HB VAL 77 HB VAL 77 3.128 12.583 -1.669 585 HG11 VAL 77 HG11 VAL 77 1.502 12.395 0.135 586 HG12 VAL 77 HG12 VAL 77 0.788 10.986 -0.649 587 HG13 VAL 77 HG13 VAL 77 0.706 12.565 -1.429 588 HG21 VAL 77 HG21 VAL 77 4.416 10.504 -1.183 589 HG22 VAL 77 HG22 VAL 77 2.990 9.882 -0.347 590 HG23 VAL 77 HG23 VAL 77 3.800 11.329 0.248 591 HA PRO 78 HA PRO 78 5.497 10.871 -5.847 592 HB2 PRO 78 HB2 PRO 78 7.259 12.793 -4.755 593 HB3 PRO 78 HB1 PRO 78 6.242 12.966 -6.187 594 HG2 PRO 78 HG2 PRO 78 5.768 13.887 -3.405 595 HG3 PRO 78 HG1 PRO 78 5.241 14.608 -4.935 596 HD2 PRO 78 HD2 PRO 78 3.526 13.310 -3.351 597 HD3 PRO 78 HD1 PRO 78 3.414 13.184 -5.116 598 H TRP 79 HN TRP 79 7.052 9.441 -5.752 599 HA TRP 79 HA TRP 79 7.398 7.764 -3.682 600 HB2 TRP 79 HB2 TRP 79 8.094 7.371 -6.032 601 HB3 TRP 79 HB1 TRP 79 9.532 8.342 -5.734 602 HD1 TRP 79 HD1 TRP 79 11.604 7.044 -4.907 603 HE1 TRP 79 HE1 TRP 79 12.026 4.682 -3.967 604 HE3 TRP 79 HE3 TRP 79 6.760 5.472 -4.490 605 HZ2 TRP 79 HZ2 TRP 79 10.489 2.451 -3.150 606 HZ3 TRP 79 HZ3 TRP 79 6.323 3.222 -3.631 607 HH2 TRP 79 HH2 TRP 79 8.144 1.745 -2.973 608 H ASP 80 HN ASP 80 9.695 10.386 -4.435 609 HA ASP 80 HA ASP 80 11.647 9.702 -2.584 610 HB2 ASP 80 HB2 ASP 80 12.013 11.370 -4.337 611 HB3 ASP 80 HB1 ASP 80 10.895 12.473 -3.542 612 H MET 81 HN MET 81 8.806 11.769 -2.133 613 HA MET 81 HA MET 81 9.459 12.252 0.636 614 HB2 MET 81 HB2 MET 81 8.417 14.043 -0.608 615 HB3 MET 81 HB1 MET 81 7.078 13.002 -1.069 616 HG2 MET 81 HG2 MET 81 6.333 12.888 1.206 617 HG3 MET 81 HG1 MET 81 7.718 13.827 1.750 618 HE1 MET 81 HE1 MET 81 4.281 15.506 -0.840 619 HE2 MET 81 HE2 MET 81 4.336 13.857 -0.218 620 HE3 MET 81 HE3 MET 81 5.472 14.367 -1.465 621 H PHE 82 HN PHE 82 7.679 9.967 -1.221 622 HA PHE 82 HA PHE 82 5.739 9.233 0.697 623 HB2 PHE 82 HB2 PHE 82 5.786 8.635 -1.811 624 HB3 PHE 82 HB1 PHE 82 6.860 7.316 -1.342 625 HD1 PHE 82 HD2 PHE 82 6.026 5.641 0.396 626 HD2 PHE 82 HD1 PHE 82 3.501 8.453 -1.571 627 HE1 PHE 82 HE2 PHE 82 4.032 4.350 1.078 628 HE2 PHE 82 HE1 PHE 82 1.523 7.184 -0.882 629 HZ PHE 82 HZ PHE 82 1.772 5.151 0.463 630 H VAL 83 HN VAL 83 8.957 7.967 -0.048 631 HA VAL 83 HA VAL 83 8.794 5.684 1.573 632 HB VAL 83 HB VAL 83 11.388 7.129 1.106 633 HG11 VAL 83 HG11 VAL 83 11.511 5.192 2.503 634 HG12 VAL 83 HG12 VAL 83 12.215 4.793 0.933 635 HG13 VAL 83 HG13 VAL 83 10.585 4.241 1.340 636 HG21 VAL 83 HG21 VAL 83 11.562 5.971 -1.058 637 HG22 VAL 83 HG22 VAL 83 10.252 7.150 -1.033 638 HG23 VAL 83 HG23 VAL 83 9.892 5.429 -0.888 639 H THR 84 HN THR 84 9.789 8.972 2.279 640 HA THR 84 HA THR 84 10.687 8.338 4.931 641 HB THR 84 HB THR 84 10.891 10.822 5.155 642 HG1 THR 84 HG1 THR 84 10.627 11.937 3.041 643 HG21 THR 84 HG21 THR 84 12.763 9.509 4.331 644 HG22 THR 84 HG22 THR 84 12.680 11.034 3.448 645 HG23 THR 84 HG23 THR 84 12.102 9.545 2.695 646 H SER 85 HN SER 85 7.672 8.822 3.507 647 HA SER 85 HA SER 85 6.444 9.894 5.924 648 HB2 SER 85 HB2 SER 85 5.389 9.396 3.144 649 HB3 SER 85 HB1 SER 85 4.349 9.870 4.486 650 HG SER 85 HG SER 85 6.566 11.319 3.446 651 H CYS 86 HN CYS 86 6.669 6.892 4.123 652 HA CYS 86 HA CYS 86 4.399 5.748 5.473 653 HB2 CYS 86 HB2 CYS 86 4.791 5.043 3.211 654 HB3 CYS 86 HB1 CYS 86 6.418 4.505 3.607 655 HG CYS 86 HG CYS 86 5.748 2.090 4.138 656 H LYS 87 HN LYS 87 4.333 4.564 7.169 657 HA LYS 87 HA LYS 87 6.846 3.909 8.563 658 HB2 LYS 87 HB2 LYS 87 4.169 4.788 9.657 659 HB3 LYS 87 HB1 LYS 87 5.500 4.247 10.657 660 HG2 LYS 87 HG2 LYS 87 6.825 6.111 10.066 661 HG3 LYS 87 HG1 LYS 87 5.706 6.572 8.780 662 HD2 LYS 87 HD2 LYS 87 5.234 8.045 10.548 663 HD3 LYS 87 HD1 LYS 87 3.966 6.823 10.595 664 HE2 LYS 87 HE2 LYS 87 6.425 6.635 12.306 665 HE3 LYS 87 HE1 LYS 87 4.995 7.525 12.816 666 HZ1 LYS 87 HZ1 LYS 87 3.735 5.388 12.417 667 HZ2 LYS 87 HZ2 LYS 87 4.798 5.395 13.736 668 HZ3 LYS 87 HZ3 LYS 87 5.242 4.621 12.304 669 H ARG 88 HN ARG 88 3.529 2.982 7.929 670 HA ARG 88 HA ARG 88 4.179 0.189 8.483 671 HB2 ARG 88 HB2 ARG 88 1.814 1.672 9.651 672 HB3 ARG 88 HB1 ARG 88 1.996 -0.076 9.673 673 HG2 ARG 88 HG2 ARG 88 3.971 0.112 11.055 674 HG3 ARG 88 HG1 ARG 88 3.886 1.874 10.973 675 HD2 ARG 88 HD2 ARG 88 2.976 1.012 13.077 676 HD3 ARG 88 HD1 ARG 88 1.750 1.843 12.120 677 HE ARG 88 HE ARG 88 1.990 -1.095 12.147 678 HH11 ARG 88 HH11 ARG 88 0.072 1.835 12.378 679 HH12 ARG 88 HH12 ARG 88 -1.425 0.975 12.567 680 HH21 ARG 88 HH21 ARG 88 0.027 -2.211 12.357 681 HH22 ARG 88 HH22 ARG 88 -1.456 -1.329 12.533 682 H LEU 89 HN LEU 89 2.349 -1.248 7.632 683 HA LEU 89 HA LEU 89 1.288 -0.018 5.178 684 HB2 LEU 89 HB2 LEU 89 3.511 -1.510 5.156 685 HB3 LEU 89 HB1 LEU 89 2.329 -2.800 5.069 686 HG LEU 89 HG LEU 89 1.355 -1.591 3.076 687 HD11 LEU 89 HD11 LEU 89 2.804 -0.041 1.891 688 HD12 LEU 89 HD12 LEU 89 3.958 -0.098 3.222 689 HD13 LEU 89 HD13 LEU 89 2.355 0.590 3.475 690 HD21 LEU 89 HD21 LEU 89 2.698 -3.599 2.851 691 HD22 LEU 89 HD22 LEU 89 4.171 -2.632 2.897 692 HD23 LEU 89 HD23 LEU 89 3.051 -2.470 1.543 693 H ARG 90 HN ARG 90 -0.743 -0.667 4.610 694 HA ARG 90 HA ARG 90 -1.748 -3.151 5.792 695 HB2 ARG 90 HB2 ARG 90 -2.519 -1.134 7.136 696 HB3 ARG 90 HB1 ARG 90 -3.451 -0.669 5.716 697 HG2 ARG 90 HG2 ARG 90 -4.345 -3.128 5.893 698 HG3 ARG 90 HG1 ARG 90 -3.837 -2.954 7.574 699 HD2 ARG 90 HD2 ARG 90 -5.793 -1.231 6.071 700 HD3 ARG 90 HD1 ARG 90 -6.145 -2.331 7.401 701 HE ARG 90 HE ARG 90 -4.271 -0.384 8.224 702 HH11 ARG 90 HH11 ARG 90 -7.660 -0.788 7.461 703 HH12 ARG 90 HH12 ARG 90 -8.179 0.544 8.446 704 HH21 ARG 90 HH21 ARG 90 -4.949 1.380 9.531 705 HH22 ARG 90 HH22 ARG 90 -6.633 1.771 9.634 706 H ILE 91 HN ILE 91 -2.241 -4.374 4.097 707 HA ILE 91 HA ILE 91 -3.738 -3.099 1.900 708 HB ILE 91 HB ILE 91 -2.564 -5.842 1.684 709 HG12 ILE 91 HG12 ILE 91 -1.147 -3.270 0.928 710 HG13 ILE 91 HG11 ILE 91 -0.724 -4.274 2.310 711 HG21 ILE 91 HG21 ILE 91 -4.152 -5.322 0.002 712 HG22 ILE 91 HG22 ILE 91 -2.567 -5.188 -0.756 713 HG23 ILE 91 HG23 ILE 91 -3.438 -3.737 -0.276 714 HD11 ILE 91 HD11 ILE 91 0.814 -4.718 0.554 715 HD12 ILE 91 HD12 ILE 91 -0.492 -4.980 -0.599 716 HD13 ILE 91 HD13 ILE 91 -0.236 -6.126 0.721 717 H MET 92 HN MET 92 -5.768 -3.910 1.497 718 HA MET 92 HA MET 92 -6.788 -6.100 3.046 719 HB2 MET 92 HB2 MET 92 -8.319 -4.725 4.414 720 HB3 MET 92 HB1 MET 92 -6.616 -4.512 4.803 721 HG2 MET 92 HG2 MET 92 -6.554 -2.420 3.589 722 HG3 MET 92 HG1 MET 92 -8.202 -2.676 3.022 723 HE1 MET 92 HE1 MET 92 -7.106 -0.002 4.428 724 HE2 MET 92 HE2 MET 92 -8.487 0.390 5.452 725 HE3 MET 92 HE3 MET 92 -8.746 -0.195 3.808 726 H LYS 93 HN LYS 93 -9.063 -6.404 2.867 727 HA LYS 93 HA LYS 93 -10.007 -6.265 0.266 728 HB2 LYS 93 HB2 LYS 93 -11.195 -6.888 2.927 729 HB3 LYS 93 HB1 LYS 93 -12.266 -6.684 1.556 730 HG2 LYS 93 HG2 LYS 93 -11.223 -8.479 0.374 731 HG3 LYS 93 HG1 LYS 93 -9.944 -8.592 1.586 732 HD2 LYS 93 HD2 LYS 93 -11.532 -9.304 3.252 733 HD3 LYS 93 HD1 LYS 93 -12.871 -9.077 2.125 734 HE2 LYS 93 HE2 LYS 93 -10.603 -11.016 1.705 735 HE3 LYS 93 HE1 LYS 93 -12.151 -11.449 2.424 736 HZ1 LYS 93 HZ1 LYS 93 -13.217 -10.691 0.342 737 HZ2 LYS 93 HZ2 LYS 93 -12.189 -12.012 0.128 738 HZ3 LYS 93 HZ3 LYS 93 -11.682 -10.469 -0.346 739 H GLY 94 HN GLY 94 -11.383 -5.023 -0.806 740 HA2 GLY 94 HA2 GLY 94 -11.444 -2.278 -0.370 741 HA3 GLY 94 HA1 GLY 94 -12.491 -3.157 -1.462 742 H THR 95 HN THR 95 -13.494 -4.680 0.915 743 HA THR 95 HA THR 95 -15.857 -3.182 1.264 744 HB THR 95 HB THR 95 -15.780 -5.654 1.439 745 HG1 THR 95 HG1 THR 95 -16.764 -4.412 3.817 746 HG21 THR 95 HG21 THR 95 -14.496 -5.138 4.122 747 HG22 THR 95 HG22 THR 95 -13.719 -5.890 2.730 748 HG23 THR 95 HG23 THR 95 -15.062 -6.700 3.534 749 H GLU 96 HN GLU 96 -12.865 -3.148 2.939 750 HA GLU 96 HA GLU 96 -13.999 -1.511 5.090 751 HB2 GLU 96 HB2 GLU 96 -12.539 -3.279 5.858 752 HB3 GLU 96 HB1 GLU 96 -11.273 -2.776 4.747 753 HG2 GLU 96 HG2 GLU 96 -10.758 -2.100 7.009 754 HG3 GLU 96 HG1 GLU 96 -11.008 -0.695 5.977 755 H ALA 97 HN ALA 97 -11.725 -1.467 2.408 756 HA ALA 97 HA ALA 97 -10.542 1.032 2.892 757 HB1 ALA 97 HB1 ALA 97 -9.774 0.940 0.604 758 HB2 ALA 97 HB2 ALA 97 -10.962 -0.308 0.230 759 HB3 ALA 97 HB3 ALA 97 -9.642 -0.655 1.346 760 H LYS 98 HN LYS 98 -13.584 0.194 1.498 761 HA LYS 98 HA LYS 98 -14.144 2.597 0.139 762 HB2 LYS 98 HB2 LYS 98 -16.506 1.870 0.301 763 HB3 LYS 98 HB1 LYS 98 -15.431 0.614 -0.295 764 HG2 LYS 98 HG2 LYS 98 -15.347 -0.214 2.120 765 HG3 LYS 98 HG1 LYS 98 -16.738 0.835 2.392 766 HD2 LYS 98 HD2 LYS 98 -16.595 -1.337 0.306 767 HD3 LYS 98 HD1 LYS 98 -17.356 -1.508 1.886 768 HE2 LYS 98 HE2 LYS 98 -18.150 0.494 -0.225 769 HE3 LYS 98 HE1 LYS 98 -18.979 -1.028 0.095 770 HZ1 LYS 98 HZ1 LYS 98 -20.108 0.769 1.189 771 HZ2 LYS 98 HZ2 LYS 98 -18.695 1.248 1.978 772 HZ3 LYS 98 HZ3 LYS 98 -19.413 -0.233 2.359 773 H GLY 99 HN GLY 99 -14.108 1.815 3.491 774 HA2 GLY 99 HA2 GLY 99 -15.963 3.815 4.325 775 HA3 GLY 99 HA1 GLY 99 -14.889 2.896 5.361 776 H LEU 100 HN LEU 100 -12.456 3.680 4.012 777 HA LEU 100 HA LEU 100 -12.291 6.350 5.206 778 HB2 LEU 100 HB2 LEU 100 -9.976 5.951 5.609 779 HB3 LEU 100 HB1 LEU 100 -10.896 4.603 6.233 780 HG LEU 100 HG LEU 100 -9.711 4.360 3.504 781 HD11 LEU 100 HD11 LEU 100 -8.161 4.072 6.079 782 HD12 LEU 100 HD12 LEU 100 -7.886 5.284 4.828 783 HD13 LEU 100 HD13 LEU 100 -7.599 3.579 4.481 784 HD21 LEU 100 HD21 LEU 100 -11.067 2.533 4.285 785 HD22 LEU 100 HD22 LEU 100 -10.201 2.482 5.816 786 HD23 LEU 100 HD23 LEU 100 -9.382 2.023 4.325 787 H GLY 101 HN GLY 101 -12.847 5.340 2.310 788 HA2 GLY 101 HA2 GLY 101 -10.741 6.424 0.727 789 HA3 GLY 101 HA1 GLY 101 -12.358 6.030 0.165 790 H CYS 102 HN CYS 102 -10.404 8.486 1.747 791 HA CYS 102 HA CYS 102 -12.344 10.497 0.853 792 HB2 CYS 102 HB2 CYS 102 -11.610 11.882 2.785 793 HB3 CYS 102 HB1 CYS 102 -12.401 10.387 3.271 794 HG CYS 102 HG CYS 102 -9.001 10.607 3.123 795 H GLY 103 HN GLY 103 -11.629 11.945 -0.475 796 HA2 GLY 103 HA2 GLY 103 -10.146 13.524 -1.342 797 HA3 GLY 103 HA1 GLY 103 -8.828 12.726 -0.494 798 H VAL 104 HN VAL 104 -11.148 12.242 -3.114 799 HA VAL 104 HA VAL 104 -11.115 11.001 -5.008 800 HB VAL 104 HB VAL 104 -8.099 11.236 -4.880 801 HG11 VAL 104 HG11 VAL 104 -9.960 10.764 -7.210 802 HG12 VAL 104 HG12 VAL 104 -8.885 9.571 -6.483 803 HG13 VAL 104 HG13 VAL 104 -8.213 10.972 -7.317 804 HG21 VAL 104 HG21 VAL 104 -8.347 13.213 -6.301 805 HG22 VAL 104 HG22 VAL 104 -9.123 13.444 -4.735 806 HG23 VAL 104 HG23 VAL 104 -10.100 13.094 -6.160 807 H GLY 105 HN GLY 105 -11.700 9.538 -3.047 808 HA2 GLY 105 HA2 GLY 105 -10.078 7.100 -3.314 809 HA3 GLY 105 HA1 GLY 105 -10.679 7.624 -1.747 810 H SER 106 HN SER 106 -11.607 5.389 -1.871 811 HA SER 106 HA SER 106 -13.767 4.948 -3.690 812 HB2 SER 106 HB2 SER 106 -12.335 3.129 -2.695 813 HB3 SER 106 HB1 SER 106 -13.151 3.414 -1.161 814 HG SER 106 HG SER 106 -14.750 3.020 -3.412 815 H HIS 107 HN HIS 107 -15.873 5.303 -3.425 816 HA HIS 107 HA HIS 107 -16.632 7.085 -1.269 817 HB2 HIS 107 HB2 HIS 107 -18.221 6.107 -3.651 818 HB3 HIS 107 HB1 HIS 107 -18.738 7.356 -2.524 819 HD1 HIS 107 HD1 HIS 107 -18.110 7.564 -5.712 820 HD2 HIS 107 HD2 HIS 107 -15.838 9.031 -2.556 821 HE1 HIS 107 HE1 HIS 107 -16.735 9.429 -6.681 822 HE2 HIS 107 HE2 HIS 107 -15.215 10.144 -4.805 Start of MODEL 4 1 H1 HIS 1 HT1 HIS 1 21.062 -9.228 -2.366 2 H2 HIS 1 HT2 HIS 1 20.641 -9.648 -3.952 3 H3 HIS 1 HT3 HIS 1 20.537 -10.800 -2.717 4 HA HIS 1 HA HIS 1 18.931 -8.326 -2.899 5 HB2 HIS 1 HB2 HIS 1 18.235 -11.196 -3.520 6 HB3 HIS 1 HB1 HIS 1 17.019 -9.967 -3.210 7 HD1 HIS 1 HD1 HIS 1 18.830 -11.497 -5.894 8 HD2 HIS 1 HD2 HIS 1 17.314 -7.702 -5.146 9 HE1 HIS 1 HE1 HIS 1 18.697 -10.373 -8.133 10 HE2 HIS 1 HE2 HIS 1 17.983 -8.014 -7.625 11 H GLU 2 HN GLU 2 18.950 -11.571 -1.383 12 HA GLU 2 HA GLU 2 17.326 -10.567 0.769 13 HB2 GLU 2 HB2 GLU 2 18.623 -13.281 0.485 14 HB3 GLU 2 HB1 GLU 2 17.309 -12.860 1.574 15 HG2 GLU 2 HG2 GLU 2 17.171 -12.840 -1.432 16 HG3 GLU 2 HG1 GLU 2 16.529 -14.098 -0.380 17 H ALA 3 HN ALA 3 19.195 -9.003 1.067 18 HA ALA 3 HA ALA 3 20.293 -9.303 3.589 19 HB1 ALA 3 HB1 ALA 3 22.347 -9.843 1.448 20 HB2 ALA 3 HB2 ALA 3 21.740 -11.028 2.605 21 HB3 ALA 3 HB3 ALA 3 22.669 -9.641 3.169 22 H ASP 4 HN ASP 4 21.122 -8.077 0.407 23 HA ASP 4 HA ASP 4 22.154 -5.610 1.554 24 HB2 ASP 4 HB2 ASP 4 22.978 -5.147 -0.722 25 HB3 ASP 4 HB1 ASP 4 23.501 -6.728 -0.151 26 H VAL 5 HN VAL 5 19.252 -6.202 1.460 27 HA VAL 5 HA VAL 5 18.483 -3.726 0.072 28 HB VAL 5 HB VAL 5 16.261 -4.624 -0.363 29 HG11 VAL 5 HG11 VAL 5 18.476 -6.365 -1.423 30 HG12 VAL 5 HG12 VAL 5 17.868 -4.867 -2.127 31 HG13 VAL 5 HG13 VAL 5 16.843 -6.300 -2.083 32 HG21 VAL 5 HG21 VAL 5 17.316 -7.201 0.788 33 HG22 VAL 5 HG22 VAL 5 15.771 -7.007 -0.038 34 HG23 VAL 5 HG23 VAL 5 16.066 -6.172 1.485 35 H GLY 6 HN GLY 6 16.859 -2.465 1.115 36 HA2 GLY 6 HA2 GLY 6 15.169 -2.483 2.963 37 HA3 GLY 6 HA1 GLY 6 16.439 -3.211 3.944 38 H GLY 7 HN GLY 7 15.578 -1.207 5.172 39 HA2 GLY 7 HA2 GLY 7 17.261 0.622 5.892 40 HA3 GLY 7 HA1 GLY 7 16.868 1.270 4.295 41 H ILE 8 HN ILE 8 14.267 0.624 4.072 42 HA ILE 8 HA ILE 8 12.936 1.696 6.438 43 HB ILE 8 HB ILE 8 12.205 2.196 3.554 44 HG12 ILE 8 HG12 ILE 8 12.285 4.604 4.602 45 HG13 ILE 8 HG11 ILE 8 13.278 3.815 5.821 46 HG21 ILE 8 HG21 ILE 8 10.283 3.449 4.420 47 HG22 ILE 8 HG22 ILE 8 10.671 2.905 6.053 48 HG23 ILE 8 HG23 ILE 8 10.184 1.736 4.826 49 HD11 ILE 8 HD11 ILE 8 13.853 3.865 2.879 50 HD12 ILE 8 HD12 ILE 8 14.831 3.101 4.135 51 HD13 ILE 8 HD13 ILE 8 14.636 4.856 4.112 52 H PHE 9 HN PHE 9 11.988 0.025 7.367 53 HA PHE 9 HA PHE 9 10.930 -2.134 5.684 54 HB2 PHE 9 HB2 PHE 9 11.706 -2.104 8.607 55 HB3 PHE 9 HB1 PHE 9 10.960 -3.479 7.797 56 HD1 PHE 9 HD1 PHE 9 12.166 -4.451 5.784 57 HD2 PHE 9 HD2 PHE 9 14.022 -1.834 8.574 58 HE1 PHE 9 HE1 PHE 9 14.373 -5.245 5.050 59 HE2 PHE 9 HE2 PHE 9 16.237 -2.621 7.848 60 HZ PHE 9 HZ PHE 9 16.416 -4.330 6.083 61 H VAL 10 HN VAL 10 8.841 -2.818 5.849 62 HA VAL 10 HA VAL 10 7.079 -1.274 7.624 63 HB VAL 10 HB VAL 10 5.995 -2.077 5.006 64 HG11 VAL 10 HG11 VAL 10 4.606 -1.020 6.698 65 HG12 VAL 10 HG12 VAL 10 4.706 -0.039 5.233 66 HG13 VAL 10 HG13 VAL 10 5.647 0.404 6.661 67 HG21 VAL 10 HG21 VAL 10 8.127 -1.109 4.321 68 HG22 VAL 10 HG22 VAL 10 7.784 0.335 5.276 69 HG23 VAL 10 HG23 VAL 10 6.786 -0.053 3.876 70 H LYS 11 HN LYS 11 5.179 -2.348 8.222 71 HA LYS 11 HA LYS 11 5.140 -5.237 7.665 72 HB2 LYS 11 HB2 LYS 11 4.216 -3.825 10.178 73 HB3 LYS 11 HB1 LYS 11 4.112 -5.552 9.877 74 HG2 LYS 11 HG2 LYS 11 6.538 -5.707 9.817 75 HG3 LYS 11 HG1 LYS 11 6.662 -3.965 10.089 76 HD2 LYS 11 HD2 LYS 11 5.514 -4.233 12.240 77 HD3 LYS 11 HD1 LYS 11 5.417 -5.972 11.968 78 HE2 LYS 11 HE2 LYS 11 7.867 -6.090 11.914 79 HE3 LYS 11 HE1 LYS 11 7.950 -4.354 12.211 80 HZ1 LYS 11 HZ1 LYS 11 6.767 -6.369 14.045 81 HZ2 LYS 11 HZ2 LYS 11 6.843 -4.701 14.329 82 HZ3 LYS 11 HZ3 LYS 11 8.267 -5.609 14.243 83 H VAL 12 HN VAL 12 3.141 -6.128 7.157 84 HA VAL 12 HA VAL 12 0.997 -4.152 6.731 85 HB VAL 12 HB VAL 12 1.259 -4.343 4.521 86 HG11 VAL 12 HG11 VAL 12 3.152 -6.586 5.150 87 HG12 VAL 12 HG12 VAL 12 3.530 -4.911 4.721 88 HG13 VAL 12 HG13 VAL 12 2.847 -5.999 3.509 89 HG21 VAL 12 HG21 VAL 12 -0.568 -5.908 4.585 90 HG22 VAL 12 HG22 VAL 12 0.534 -7.240 4.931 91 HG23 VAL 12 HG23 VAL 12 0.592 -6.434 3.364 92 H SER 13 HN SER 13 -0.895 -4.662 7.511 93 HA SER 13 HA SER 13 -1.461 -7.467 8.205 94 HB2 SER 13 HB2 SER 13 -2.428 -4.949 9.589 95 HB3 SER 13 HB1 SER 13 -2.848 -6.600 10.050 96 HG SER 13 HG SER 13 -1.163 -6.249 11.317 97 H MET 14 HN MET 14 -3.693 -8.123 8.077 98 HA MET 14 HA MET 14 -5.065 -6.785 5.863 99 HB2 MET 14 HB2 MET 14 -4.561 -9.072 5.421 100 HB3 MET 14 HB1 MET 14 -5.208 -9.594 6.968 101 HG2 MET 14 HG2 MET 14 -6.661 -10.150 5.066 102 HG3 MET 14 HG1 MET 14 -7.451 -9.106 6.243 103 HE1 MET 14 HE1 MET 14 -4.734 -7.736 3.851 104 HE2 MET 14 HE2 MET 14 -5.644 -7.431 2.374 105 HE3 MET 14 HE3 MET 14 -5.377 -9.091 2.918 106 H ASP 15 HN ASP 15 -7.340 -6.460 5.923 107 HA ASP 15 HA ASP 15 -8.414 -6.204 8.656 108 HB2 ASP 15 HB2 ASP 15 -7.796 -4.060 7.327 109 HB3 ASP 15 HB1 ASP 15 -9.237 -4.415 6.382 110 H GLY 16 HN GLY 16 -10.147 -7.394 9.017 111 HA2 GLY 16 HA2 GLY 16 -12.402 -8.041 8.529 112 HA3 GLY 16 HA1 GLY 16 -12.012 -7.976 6.815 113 H ALA 17 HN ALA 17 -9.520 -9.354 7.071 114 HA ALA 17 HA ALA 17 -10.259 -11.991 8.144 115 HB1 ALA 17 HB1 ALA 17 -10.600 -12.063 5.718 116 HB2 ALA 17 HB2 ALA 17 -9.240 -13.079 6.198 117 HB3 ALA 17 HB3 ALA 17 -8.949 -11.500 5.465 118 HA PRO 18 HA PRO 18 -6.164 -11.560 9.832 119 HB2 PRO 18 HB2 PRO 18 -5.589 -14.119 10.476 120 HB3 PRO 18 HB1 PRO 18 -6.778 -13.165 11.369 121 HG2 PRO 18 HG2 PRO 18 -7.216 -15.247 9.276 122 HG3 PRO 18 HG1 PRO 18 -8.115 -14.958 10.759 123 HD2 PRO 18 HD2 PRO 18 -8.941 -14.132 8.284 124 HD3 PRO 18 HD1 PRO 18 -9.423 -13.350 9.801 125 H TYR 19 HN TYR 19 -4.461 -11.118 8.609 126 HA TYR 19 HA TYR 19 -3.058 -13.250 7.257 127 HB2 TYR 19 HB2 TYR 19 -4.168 -10.885 5.761 128 HB3 TYR 19 HB1 TYR 19 -2.720 -11.705 5.210 129 HD1 TYR 19 HD2 TYR 19 -2.846 -13.973 4.313 130 HD2 TYR 19 HD1 TYR 19 -6.354 -11.910 5.547 131 HE1 TYR 19 HE2 TYR 19 -4.226 -15.598 3.093 132 HE2 TYR 19 HE1 TYR 19 -7.742 -13.528 4.325 133 HH TYR 19 HH TYR 19 -6.531 -16.464 3.156 134 H LEU 20 HN LEU 20 -0.876 -12.870 7.099 135 HA LEU 20 HA LEU 20 0.049 -10.348 8.281 136 HB2 LEU 20 HB2 LEU 20 0.645 -13.153 9.094 137 HB3 LEU 20 HB1 LEU 20 1.876 -11.924 9.317 138 HG LEU 20 HG LEU 20 0.779 -12.122 11.389 139 HD11 LEU 20 HD11 LEU 20 -0.524 -9.765 10.046 140 HD12 LEU 20 HD12 LEU 20 1.135 -9.805 10.640 141 HD13 LEU 20 HD13 LEU 20 -0.208 -9.969 11.770 142 HD21 LEU 20 HD21 LEU 20 -1.166 -13.383 10.661 143 HD22 LEU 20 HD22 LEU 20 -1.850 -11.929 9.933 144 HD23 LEU 20 HD23 LEU 20 -1.643 -12.026 11.682 145 H ARG 21 HN ARG 21 1.034 -9.396 6.635 146 HA ARG 21 HA ARG 21 3.213 -10.883 5.327 147 HB2 ARG 21 HB2 ARG 21 1.285 -8.893 4.135 148 HB3 ARG 21 HB1 ARG 21 2.825 -9.267 3.377 149 HG2 ARG 21 HG2 ARG 21 0.687 -11.299 3.992 150 HG3 ARG 21 HG1 ARG 21 0.921 -10.521 2.425 151 HD2 ARG 21 HD2 ARG 21 3.207 -11.419 2.341 152 HD3 ARG 21 HD1 ARG 21 2.929 -12.233 3.879 153 HE ARG 21 HE ARG 21 0.928 -13.023 2.093 154 HH11 ARG 21 HH11 ARG 21 4.378 -13.337 2.540 155 HH12 ARG 21 HH12 ARG 21 4.480 -14.869 1.737 156 HH21 ARG 21 HH21 ARG 21 1.043 -15.045 1.035 157 HH22 ARG 21 HH22 ARG 21 2.573 -15.847 0.873 158 H LYS 22 HN LYS 22 5.085 -9.577 4.774 159 HA LYS 22 HA LYS 22 5.162 -6.866 5.826 160 HB2 LYS 22 HB2 LYS 22 7.094 -8.986 6.795 161 HB3 LYS 22 HB1 LYS 22 7.314 -7.261 7.015 162 HG2 LYS 22 HG2 LYS 22 6.479 -7.898 9.049 163 HG3 LYS 22 HG1 LYS 22 5.022 -7.372 8.209 164 HD2 LYS 22 HD2 LYS 22 4.680 -9.791 7.561 165 HD3 LYS 22 HD1 LYS 22 5.966 -10.185 8.706 166 HE2 LYS 22 HE2 LYS 22 3.702 -10.397 9.677 167 HE3 LYS 22 HE1 LYS 22 4.716 -9.222 10.515 168 HZ1 LYS 22 HZ1 LYS 22 3.544 -7.447 9.602 169 HZ2 LYS 22 HZ2 LYS 22 2.332 -8.548 9.997 170 HZ3 LYS 22 HZ3 LYS 22 2.835 -8.384 8.385 171 H ILE 23 HN ILE 23 6.545 -5.577 4.703 172 HA ILE 23 HA ILE 23 8.329 -6.815 2.766 173 HB ILE 23 HB ILE 23 7.467 -5.120 1.044 174 HG12 ILE 23 HG12 ILE 23 5.191 -5.204 2.996 175 HG13 ILE 23 HG11 ILE 23 6.023 -3.796 2.372 176 HG21 ILE 23 HG21 ILE 23 7.265 -7.482 0.735 177 HG22 ILE 23 HG22 ILE 23 5.758 -6.701 0.252 178 HG23 ILE 23 HG23 ILE 23 5.859 -7.542 1.799 179 HD11 ILE 23 HD11 ILE 23 4.318 -5.625 0.709 180 HD12 ILE 23 HD12 ILE 23 5.038 -4.092 0.211 181 HD13 ILE 23 HD13 ILE 23 3.763 -4.116 1.434 182 H ASP 24 HN ASP 24 9.425 -5.010 1.464 183 HA ASP 24 HA ASP 24 10.424 -3.041 3.417 184 HB2 ASP 24 HB2 ASP 24 12.004 -3.939 1.031 185 HB3 ASP 24 HB1 ASP 24 12.574 -3.358 2.586 186 H LEU 25 HN LEU 25 10.284 -0.938 2.847 187 HA LEU 25 HA LEU 25 8.417 -0.389 0.766 188 HB2 LEU 25 HB2 LEU 25 8.691 0.696 3.080 189 HB3 LEU 25 HB1 LEU 25 9.947 1.661 2.334 190 HG LEU 25 HG LEU 25 8.174 2.389 0.646 191 HD11 LEU 25 HD11 LEU 25 5.934 2.016 1.065 192 HD12 LEU 25 HD12 LEU 25 6.210 1.641 2.767 193 HD13 LEU 25 HD13 LEU 25 6.644 0.462 1.520 194 HD21 LEU 25 HD21 LEU 25 7.361 4.109 2.120 195 HD22 LEU 25 HD22 LEU 25 9.050 3.772 2.495 196 HD23 LEU 25 HD23 LEU 25 7.772 3.138 3.533 197 H ARG 26 HN ARG 26 11.837 0.389 1.232 198 HA ARG 26 HA ARG 26 11.877 2.158 -1.030 199 HB2 ARG 26 HB2 ARG 26 14.141 2.589 -0.469 200 HB3 ARG 26 HB1 ARG 26 13.199 2.561 1.012 201 HG2 ARG 26 HG2 ARG 26 13.974 0.300 1.475 202 HG3 ARG 26 HG1 ARG 26 14.905 0.317 -0.022 203 HD2 ARG 26 HD2 ARG 26 15.294 2.165 2.329 204 HD3 ARG 26 HD1 ARG 26 16.313 0.783 1.928 205 HE ARG 26 HE ARG 26 16.017 3.113 0.142 206 HH11 ARG 26 HH11 ARG 26 18.019 0.721 1.763 207 HH12 ARG 26 HH12 ARG 26 19.494 1.311 1.062 208 HH21 ARG 26 HH21 ARG 26 17.961 3.861 -0.780 209 HH22 ARG 26 HH22 ARG 26 19.462 3.094 -0.373 210 H VAL 27 HN VAL 27 12.227 -1.194 -0.744 211 HA VAL 27 HA VAL 27 14.477 -1.484 -2.502 212 HB VAL 27 HB VAL 27 14.144 -3.861 -2.338 213 HG11 VAL 27 HG11 VAL 27 14.270 -4.130 0.107 214 HG12 VAL 27 HG12 VAL 27 13.702 -2.471 0.298 215 HG13 VAL 27 HG13 VAL 27 15.253 -2.788 -0.478 216 HG21 VAL 27 HG21 VAL 27 11.542 -3.207 -0.967 217 HG22 VAL 27 HG22 VAL 27 12.263 -4.813 -1.066 218 HG23 VAL 27 HG23 VAL 27 11.739 -3.989 -2.535 219 H TYR 28 HN TYR 28 11.395 -0.630 -3.177 220 HA TYR 28 HA TYR 28 11.176 -2.236 -5.607 221 HB2 TYR 28 HB2 TYR 28 9.254 -0.178 -4.516 222 HB3 TYR 28 HB1 TYR 28 8.935 -1.345 -5.794 223 HD1 TYR 28 HD1 TYR 28 9.670 -3.862 -4.928 224 HD2 TYR 28 HD2 TYR 28 8.196 -0.669 -2.544 225 HE1 TYR 28 HE1 TYR 28 8.876 -5.485 -3.267 226 HE2 TYR 28 HE2 TYR 28 7.387 -2.285 -0.874 227 HH TYR 28 HH TYR 28 8.340 -5.531 -0.869 228 H GLY 29 HN GLY 29 11.828 0.993 -4.532 229 HA2 GLY 29 HA2 GLY 29 12.611 2.861 -5.600 230 HA3 GLY 29 HA1 GLY 29 13.205 1.766 -6.833 231 H GLY 30 HN GLY 30 9.824 1.657 -6.361 232 HA2 GLY 30 HA2 GLY 30 8.901 3.748 -7.929 233 HA3 GLY 30 HA1 GLY 30 9.321 2.441 -9.028 234 H TYR 31 HN TYR 31 6.758 3.269 -8.959 235 HA TYR 31 HA TYR 31 5.147 1.976 -7.018 236 HB2 TYR 31 HB2 TYR 31 4.386 3.030 -9.746 237 HB3 TYR 31 HB1 TYR 31 3.256 2.572 -8.475 238 HD1 TYR 31 HD1 TYR 31 4.334 3.704 -6.085 239 HD2 TYR 31 HD2 TYR 31 4.309 5.317 -10.015 240 HE1 TYR 31 HE1 TYR 31 4.476 5.967 -5.145 241 HE2 TYR 31 HE2 TYR 31 4.442 7.592 -9.090 242 HH TYR 31 HH TYR 31 3.849 8.736 -6.923 243 H SER 32 HN SER 32 6.344 0.996 -10.178 244 HA SER 32 HA SER 32 4.511 -1.028 -10.736 245 HB2 SER 32 HB2 SER 32 6.483 -2.057 -12.020 246 HB3 SER 32 HB1 SER 32 5.962 -0.437 -12.490 247 HG SER 32 HG SER 32 8.369 -1.145 -11.832 248 H GLU 33 HN GLU 33 7.705 -1.345 -9.191 249 HA GLU 33 HA GLU 33 7.308 -4.079 -8.552 250 HB2 GLU 33 HB2 GLU 33 9.319 -2.028 -7.697 251 HB3 GLU 33 HB1 GLU 33 9.302 -3.642 -7.000 252 HG2 GLU 33 HG2 GLU 33 9.555 -4.600 -9.238 253 HG3 GLU 33 HG1 GLU 33 9.602 -2.975 -9.917 254 H LEU 34 HN LEU 34 6.670 -1.083 -6.880 255 HA LEU 34 HA LEU 34 6.156 -2.056 -4.307 256 HB2 LEU 34 HB2 LEU 34 6.210 0.331 -4.790 257 HB3 LEU 34 HB1 LEU 34 4.825 0.174 -5.853 258 HG LEU 34 HG LEU 34 3.581 -0.652 -3.735 259 HD11 LEU 34 HD11 LEU 34 5.874 0.836 -2.476 260 HD12 LEU 34 HD12 LEU 34 5.532 -0.887 -2.311 261 HD13 LEU 34 HD13 LEU 34 4.409 0.303 -1.652 262 HD21 LEU 34 HD21 LEU 34 3.034 1.398 -4.879 263 HD22 LEU 34 HD22 LEU 34 4.388 2.225 -4.116 264 HD23 LEU 34 HD23 LEU 34 3.031 1.676 -3.138 265 H LEU 35 HN LEU 35 3.906 -1.513 -6.994 266 HA LEU 35 HA LEU 35 1.674 -2.686 -5.735 267 HB2 LEU 35 HB2 LEU 35 2.263 -2.132 -8.643 268 HB3 LEU 35 HB1 LEU 35 0.692 -2.576 -8.011 269 HG LEU 35 HG LEU 35 2.167 -0.121 -7.081 270 HD11 LEU 35 HD11 LEU 35 0.786 1.182 -8.592 271 HD12 LEU 35 HD12 LEU 35 0.082 -0.296 -9.252 272 HD13 LEU 35 HD13 LEU 35 1.795 0.051 -9.492 273 HD21 LEU 35 HD21 LEU 35 -0.721 -0.968 -6.915 274 HD22 LEU 35 HD22 LEU 35 -0.078 0.583 -6.374 275 HD23 LEU 35 HD23 LEU 35 0.434 -0.908 -5.583 276 H LYS 36 HN LYS 36 4.137 -3.918 -7.903 277 HA LYS 36 HA LYS 36 2.828 -6.372 -8.455 278 HB2 LYS 36 HB2 LYS 36 5.630 -5.388 -8.892 279 HB3 LYS 36 HB1 LYS 36 5.209 -7.071 -9.200 280 HG2 LYS 36 HG2 LYS 36 3.951 -4.656 -10.490 281 HG3 LYS 36 HG1 LYS 36 5.111 -5.755 -11.238 282 HD2 LYS 36 HD2 LYS 36 3.539 -7.583 -11.084 283 HD3 LYS 36 HD1 LYS 36 2.398 -6.574 -10.201 284 HE2 LYS 36 HE2 LYS 36 2.366 -5.059 -12.220 285 HE3 LYS 36 HE1 LYS 36 3.243 -6.331 -13.073 286 HZ1 LYS 36 HZ1 LYS 36 1.424 -7.852 -12.579 287 HZ2 LYS 36 HZ2 LYS 36 0.871 -6.512 -13.447 288 HZ3 LYS 36 HZ3 LYS 36 0.583 -6.616 -11.782 289 H ALA 37 HN ALA 37 5.075 -5.362 -5.960 290 HA ALA 37 HA ALA 37 5.725 -7.891 -4.935 291 HB1 ALA 37 HB1 ALA 37 5.352 -5.315 -3.411 292 HB2 ALA 37 HB2 ALA 37 6.834 -5.826 -4.222 293 HB3 ALA 37 HB3 ALA 37 6.219 -6.743 -2.846 294 H LEU 38 HN LEU 38 2.996 -5.751 -4.303 295 HA LEU 38 HA LEU 38 1.727 -7.295 -2.314 296 HB2 LEU 38 HB2 LEU 38 -0.016 -5.891 -4.219 297 HB3 LEU 38 HB1 LEU 38 0.029 -5.798 -2.471 298 HG LEU 38 HG LEU 38 2.046 -4.440 -4.241 299 HD11 LEU 38 HD11 LEU 38 -0.516 -3.370 -3.087 300 HD12 LEU 38 HD12 LEU 38 -0.137 -3.598 -4.796 301 HD13 LEU 38 HD13 LEU 38 0.740 -2.394 -3.847 302 HD21 LEU 38 HD21 LEU 38 2.706 -4.815 -1.900 303 HD22 LEU 38 HD22 LEU 38 1.252 -3.970 -1.368 304 HD23 LEU 38 HD23 LEU 38 2.497 -3.104 -2.270 305 H GLU 39 HN GLU 39 1.059 -6.976 -5.781 306 HA GLU 39 HA GLU 39 -0.753 -9.024 -6.129 307 HB2 GLU 39 HB2 GLU 39 1.465 -8.309 -8.058 308 HB3 GLU 39 HB1 GLU 39 -0.059 -9.090 -8.457 309 HG2 GLU 39 HG2 GLU 39 -1.155 -6.983 -7.508 310 HG3 GLU 39 HG1 GLU 39 0.439 -6.257 -7.640 311 H THR 40 HN THR 40 2.689 -9.212 -5.671 312 HA THR 40 HA THR 40 3.015 -11.938 -6.429 313 HB THR 40 HB THR 40 4.675 -10.068 -4.742 314 HG1 THR 40 HG1 THR 40 4.705 -9.554 -6.922 315 HG21 THR 40 HG21 THR 40 5.066 -12.353 -3.991 316 HG22 THR 40 HG22 THR 40 6.470 -11.716 -4.856 317 HG23 THR 40 HG23 THR 40 5.382 -12.851 -5.656 318 H MET 41 HN MET 41 2.348 -10.276 -3.386 319 HA MET 41 HA MET 41 2.999 -12.452 -1.718 320 HB2 MET 41 HB2 MET 41 1.357 -9.968 -1.234 321 HB3 MET 41 HB1 MET 41 1.703 -11.142 0.029 322 HG2 MET 41 HG2 MET 41 4.136 -10.775 -0.543 323 HG3 MET 41 HG1 MET 41 3.616 -9.375 -1.452 324 HE1 MET 41 HE1 MET 41 2.364 -6.944 1.231 325 HE2 MET 41 HE2 MET 41 1.570 -7.878 -0.037 326 HE3 MET 41 HE3 MET 41 3.097 -7.066 -0.369 327 H PHE 42 HN PHE 42 -0.190 -11.161 -2.657 328 HA PHE 42 HA PHE 42 -1.403 -13.551 -1.476 329 HB2 PHE 42 HB2 PHE 42 -3.262 -11.502 -2.433 330 HB3 PHE 42 HB1 PHE 42 -3.128 -12.240 -0.839 331 HD1 PHE 42 HD1 PHE 42 -1.421 -11.376 0.764 332 HD2 PHE 42 HD2 PHE 42 -2.368 -9.368 -2.866 333 HE1 PHE 42 HE1 PHE 42 -0.308 -9.349 1.588 334 HE2 PHE 42 HE2 PHE 42 -1.262 -7.349 -2.041 335 HZ PHE 42 HZ PHE 42 -0.202 -7.362 0.162 336 H LYS 43 HN LYS 43 -0.204 -12.948 -4.273 337 HA LYS 43 HA LYS 43 -0.407 -13.784 -6.371 338 HB2 LYS 43 HB2 LYS 43 -2.424 -15.795 -5.516 339 HB3 LYS 43 HB1 LYS 43 -0.982 -16.000 -6.496 340 HG2 LYS 43 HG2 LYS 43 -1.130 -15.764 -3.503 341 HG3 LYS 43 HG1 LYS 43 -0.706 -17.192 -4.442 342 HD2 LYS 43 HD2 LYS 43 1.253 -15.824 -5.326 343 HD3 LYS 43 HD1 LYS 43 0.857 -14.662 -4.049 344 HE2 LYS 43 HE2 LYS 43 2.616 -16.198 -3.335 345 HE3 LYS 43 HE1 LYS 43 1.158 -16.386 -2.363 346 HZ1 LYS 43 HZ1 LYS 43 2.025 -18.153 -4.585 347 HZ2 LYS 43 HZ2 LYS 43 0.575 -18.316 -3.732 348 HZ3 LYS 43 HZ3 LYS 43 2.051 -18.528 -2.935 349 H LEU 44 HN LEU 44 -1.953 -11.592 -6.146 350 HA LEU 44 HA LEU 44 -4.250 -12.255 -7.808 351 HB2 LEU 44 HB2 LEU 44 -5.657 -10.651 -6.455 352 HB3 LEU 44 HB1 LEU 44 -5.348 -12.224 -5.755 353 HG LEU 44 HG LEU 44 -3.431 -11.029 -4.487 354 HD11 LEU 44 HD11 LEU 44 -5.153 -8.683 -5.253 355 HD12 LEU 44 HD12 LEU 44 -3.467 -8.940 -5.701 356 HD13 LEU 44 HD13 LEU 44 -3.901 -8.668 -4.013 357 HD21 LEU 44 HD21 LEU 44 -5.007 -10.392 -2.716 358 HD22 LEU 44 HD22 LEU 44 -5.389 -11.959 -3.433 359 HD23 LEU 44 HD23 LEU 44 -6.332 -10.537 -3.872 360 H THR 45 HN THR 45 -5.403 -9.905 -8.218 361 HA THR 45 HA THR 45 -3.219 -8.316 -9.370 362 HB THR 45 HB THR 45 -6.098 -8.516 -10.274 363 HG1 THR 45 HG1 THR 45 -4.234 -10.260 -10.599 364 HG21 THR 45 HG21 THR 45 -3.727 -7.175 -11.574 365 HG22 THR 45 HG22 THR 45 -5.070 -6.346 -10.790 366 HG23 THR 45 HG23 THR 45 -5.351 -7.294 -12.250 367 H ILE 46 HN ILE 46 -2.833 -6.813 -7.798 368 HA ILE 46 HA ILE 46 -4.880 -5.183 -6.639 369 HB ILE 46 HB ILE 46 -1.884 -4.748 -6.800 370 HG12 ILE 46 HG12 ILE 46 -2.612 -6.776 -5.528 371 HG13 ILE 46 HG11 ILE 46 -1.794 -5.591 -4.516 372 HG21 ILE 46 HG21 ILE 46 -3.963 -3.332 -5.133 373 HG22 ILE 46 HG22 ILE 46 -3.070 -2.647 -6.490 374 HG23 ILE 46 HG23 ILE 46 -2.219 -3.099 -5.011 375 HD11 ILE 46 HD11 ILE 46 -3.689 -6.503 -3.365 376 HD12 ILE 46 HD12 ILE 46 -4.758 -6.062 -4.696 377 HD13 ILE 46 HD13 ILE 46 -3.986 -4.804 -3.730 378 H GLY 47 HN GLY 47 -5.864 -3.518 -7.608 379 HA2 GLY 47 HA2 GLY 47 -5.274 -2.833 -10.292 380 HA3 GLY 47 HA1 GLY 47 -6.448 -2.037 -9.268 381 H GLU 48 HN GLU 48 -4.770 -0.790 -11.151 382 HA GLU 48 HA GLU 48 -2.494 0.405 -9.912 383 HB2 GLU 48 HB2 GLU 48 -2.514 1.915 -11.874 384 HB3 GLU 48 HB1 GLU 48 -2.593 0.217 -12.319 385 HG2 GLU 48 HG2 GLU 48 -4.892 0.370 -12.854 386 HG3 GLU 48 HG1 GLU 48 -5.024 1.968 -12.123 387 H TYR 49 HN TYR 49 -2.315 2.852 -9.880 388 HA TYR 49 HA TYR 49 -4.281 3.795 -8.009 389 HB2 TYR 49 HB2 TYR 49 -1.762 4.231 -7.887 390 HB3 TYR 49 HB1 TYR 49 -2.022 5.434 -9.146 391 HD1 TYR 49 HD2 TYR 49 -3.110 4.460 -5.751 392 HD2 TYR 49 HD1 TYR 49 -2.732 7.607 -8.572 393 HE1 TYR 49 HE2 TYR 49 -3.770 6.070 -4.007 394 HE2 TYR 49 HE1 TYR 49 -3.381 9.235 -6.850 395 HH TYR 49 HH TYR 49 -4.641 9.261 -4.729 396 H SER 50 HN SER 50 -6.097 3.824 -9.355 397 HA SER 50 HA SER 50 -6.565 5.414 -11.567 398 HB2 SER 50 HB2 SER 50 -8.383 4.852 -9.239 399 HB3 SER 50 HB1 SER 50 -8.910 5.365 -10.830 400 HG SER 50 HG SER 50 -7.830 3.400 -11.609 401 H GLU 51 HN GLU 51 -6.920 7.590 -11.877 402 HA GLU 51 HA GLU 51 -5.945 9.358 -9.856 403 HB2 GLU 51 HB2 GLU 51 -5.524 9.775 -12.227 404 HB3 GLU 51 HB1 GLU 51 -7.248 9.927 -12.526 405 HG2 GLU 51 HG2 GLU 51 -7.320 11.904 -11.097 406 HG3 GLU 51 HG1 GLU 51 -5.588 11.753 -10.808 407 H ARG 52 HN ARG 52 -9.049 8.254 -10.878 408 HA ARG 52 HA ARG 52 -10.568 10.373 -9.836 409 HB2 ARG 52 HB2 ARG 52 -12.458 8.630 -9.874 410 HB3 ARG 52 HB1 ARG 52 -11.719 9.124 -11.385 411 HG2 ARG 52 HG2 ARG 52 -11.718 6.916 -11.750 412 HG3 ARG 52 HG1 ARG 52 -10.201 7.026 -10.874 413 HD2 ARG 52 HD2 ARG 52 -11.333 6.367 -8.798 414 HD3 ARG 52 HD1 ARG 52 -12.864 6.258 -9.688 415 HE ARG 52 HE ARG 52 -10.788 4.693 -10.894 416 HH11 ARG 52 HH11 ARG 52 -13.231 4.585 -8.352 417 HH12 ARG 52 HH12 ARG 52 -13.379 2.855 -8.446 418 HH21 ARG 52 HH21 ARG 52 -11.014 2.456 -10.984 419 HH22 ARG 52 HH22 ARG 52 -12.136 1.653 -9.929 420 H GLU 53 HN GLU 53 -9.909 7.150 -8.387 421 HA GLU 53 HA GLU 53 -10.550 8.441 -5.847 422 HB2 GLU 53 HB2 GLU 53 -11.183 5.629 -6.670 423 HB3 GLU 53 HB1 GLU 53 -11.302 6.210 -5.012 424 HG2 GLU 53 HG2 GLU 53 -12.934 7.855 -5.678 425 HG3 GLU 53 HG1 GLU 53 -12.800 7.339 -7.356 426 H GLY 54 HN GLY 54 -8.443 6.412 -7.578 427 HA2 GLY 54 HA2 GLY 54 -6.646 5.090 -7.109 428 HA3 GLY 54 HA1 GLY 54 -6.139 6.515 -6.241 429 H TYR 55 HN TYR 55 -8.865 5.093 -4.768 430 HA TYR 55 HA TYR 55 -7.089 3.552 -2.992 431 HB2 TYR 55 HB2 TYR 55 -9.535 5.060 -2.072 432 HB3 TYR 55 HB1 TYR 55 -8.329 4.263 -1.073 433 HD1 TYR 55 HD1 TYR 55 -5.838 5.317 -2.438 434 HD2 TYR 55 HD2 TYR 55 -9.447 7.227 -1.271 435 HE1 TYR 55 HE1 TYR 55 -4.626 7.437 -2.196 436 HE2 TYR 55 HE2 TYR 55 -8.253 9.357 -1.028 437 HH TYR 55 HH TYR 55 -4.951 9.752 -2.095 438 H LYS 56 HN LYS 56 -9.257 3.158 -5.259 439 HA LYS 56 HA LYS 56 -11.355 1.738 -4.006 440 HB2 LYS 56 HB2 LYS 56 -12.177 1.269 -6.144 441 HB3 LYS 56 HB1 LYS 56 -11.353 2.805 -6.339 442 HG2 LYS 56 HG2 LYS 56 -10.172 0.137 -7.076 443 HG3 LYS 56 HG1 LYS 56 -11.007 1.204 -8.197 444 HD2 LYS 56 HD2 LYS 56 -9.321 2.928 -7.849 445 HD3 LYS 56 HD1 LYS 56 -8.502 1.901 -6.663 446 HE2 LYS 56 HE2 LYS 56 -8.867 1.350 -9.606 447 HE3 LYS 56 HE1 LYS 56 -7.362 1.765 -8.791 448 HZ1 LYS 56 HZ1 LYS 56 -7.500 -0.327 -7.572 449 HZ2 LYS 56 HZ2 LYS 56 -7.499 -0.592 -9.240 450 HZ3 LYS 56 HZ3 LYS 56 -8.941 -0.722 -8.373 451 H GLY 57 HN GLY 57 -8.226 0.842 -5.207 452 HA2 GLY 57 HA2 GLY 57 -6.940 -1.016 -4.881 453 HA3 GLY 57 HA1 GLY 57 -8.080 -1.478 -3.636 454 H SER 58 HN SER 58 -10.062 -1.308 -6.116 455 HA SER 58 HA SER 58 -11.105 -2.806 -7.452 456 HB2 SER 58 HB2 SER 58 -8.509 -4.371 -7.399 457 HB3 SER 58 HB1 SER 58 -9.868 -4.657 -8.486 458 HG SER 58 HG SER 58 -9.256 -3.037 -9.681 459 H GLU 59 HN GLU 59 -9.103 -5.247 -5.786 460 HA GLU 59 HA GLU 59 -11.438 -5.780 -4.075 461 HB2 GLU 59 HB2 GLU 59 -10.945 -7.630 -5.667 462 HB3 GLU 59 HB1 GLU 59 -9.378 -7.820 -4.886 463 HG2 GLU 59 HG2 GLU 59 -10.397 -8.395 -2.815 464 HG3 GLU 59 HG1 GLU 59 -11.995 -7.998 -3.426 465 H TYR 60 HN TYR 60 -8.039 -5.158 -4.237 466 HA TYR 60 HA TYR 60 -8.074 -4.948 -1.313 467 HB2 TYR 60 HB2 TYR 60 -6.026 -6.358 -2.988 468 HB3 TYR 60 HB1 TYR 60 -5.558 -5.608 -1.473 469 HD1 TYR 60 HD1 TYR 60 -6.757 -6.299 0.611 470 HD2 TYR 60 HD2 TYR 60 -7.085 -8.492 -3.005 471 HE1 TYR 60 HE1 TYR 60 -7.568 -8.215 1.881 472 HE2 TYR 60 HE2 TYR 60 -7.898 -10.447 -1.749 473 HH TYR 60 HH TYR 60 -8.869 -10.244 1.525 474 H ALA 61 HN ALA 61 -7.569 -3.009 -0.659 475 HA ALA 61 HA ALA 61 -6.030 -1.277 -2.466 476 HB1 ALA 61 HB1 ALA 61 -6.942 0.605 -1.183 477 HB2 ALA 61 HB2 ALA 61 -7.808 -0.528 -0.145 478 HB3 ALA 61 HB3 ALA 61 -8.226 -0.402 -1.853 479 HA PRO 62 HA PRO 62 -2.815 -1.974 0.660 480 HB2 PRO 62 HB2 PRO 62 -0.822 -0.931 -0.875 481 HB3 PRO 62 HB1 PRO 62 -1.367 -2.605 -1.023 482 HG2 PRO 62 HG2 PRO 62 -2.111 -0.224 -2.684 483 HG3 PRO 62 HG1 PRO 62 -1.682 -1.861 -3.212 484 HD2 PRO 62 HD2 PRO 62 -4.235 -1.050 -3.073 485 HD3 PRO 62 HD1 PRO 62 -3.765 -2.723 -2.675 486 H THR 63 HN THR 63 -2.779 -0.530 2.248 487 HA THR 63 HA THR 63 -2.554 2.310 1.535 488 HB THR 63 HB THR 63 -3.942 2.887 3.483 489 HG1 THR 63 HG1 THR 63 -3.970 0.081 3.799 490 HG21 THR 63 HG21 THR 63 -4.992 2.631 1.270 491 HG22 THR 63 HG22 THR 63 -6.099 2.212 2.580 492 HG23 THR 63 HG23 THR 63 -5.327 0.934 1.637 493 H TYR 64 HN TYR 64 -1.818 3.606 3.492 494 HA TYR 64 HA TYR 64 0.103 2.133 5.123 495 HB2 TYR 64 HB2 TYR 64 1.984 3.349 4.391 496 HB3 TYR 64 HB1 TYR 64 1.143 2.927 2.901 497 HD1 TYR 64 HD1 TYR 64 -0.690 4.760 2.193 498 HD2 TYR 64 HD2 TYR 64 2.738 5.491 4.576 499 HE1 TYR 64 HE1 TYR 64 -0.802 7.130 1.605 500 HE2 TYR 64 HE2 TYR 64 2.663 7.870 3.992 501 HH TYR 64 HH TYR 64 1.788 9.324 2.344 502 H GLU 65 HN GLU 65 1.114 3.606 6.735 503 HA GLU 65 HA GLU 65 -0.856 5.615 7.592 504 HB2 GLU 65 HB2 GLU 65 -0.546 3.689 9.114 505 HB3 GLU 65 HB1 GLU 65 1.166 4.100 9.255 506 HG2 GLU 65 HG2 GLU 65 0.528 6.277 10.212 507 HG3 GLU 65 HG1 GLU 65 -1.164 5.784 10.142 508 H ASP 66 HN ASP 66 -0.262 7.647 7.391 509 HA ASP 66 HA ASP 66 2.516 8.376 6.999 510 HB2 ASP 66 HB2 ASP 66 0.536 9.385 5.732 511 HB3 ASP 66 HB1 ASP 66 0.133 10.231 7.223 512 H LYS 67 HN LYS 67 2.612 10.917 8.304 513 HA LYS 67 HA LYS 67 3.646 10.017 10.785 514 HB2 LYS 67 HB2 LYS 67 2.929 12.898 10.302 515 HB3 LYS 67 HB1 LYS 67 4.260 12.245 11.241 516 HG2 LYS 67 HG2 LYS 67 4.009 12.288 8.256 517 HG3 LYS 67 HG1 LYS 67 5.089 13.261 9.246 518 HD2 LYS 67 HD2 LYS 67 6.486 11.484 9.708 519 HD3 LYS 67 HD1 LYS 67 5.224 10.281 9.404 520 HE2 LYS 67 HE2 LYS 67 6.587 12.002 7.341 521 HE3 LYS 67 HE1 LYS 67 6.850 10.276 7.602 522 HZ1 LYS 67 HZ1 LYS 67 4.761 9.748 6.798 523 HZ2 LYS 67 HZ2 LYS 67 5.222 11.015 5.772 524 HZ3 LYS 67 HZ3 LYS 67 4.141 11.304 7.039 525 H ASP 68 HN ASP 68 0.835 11.907 9.893 526 HA ASP 68 HA ASP 68 -0.073 12.081 12.643 527 HB2 ASP 68 HB2 ASP 68 -0.268 13.971 10.987 528 HB3 ASP 68 HB1 ASP 68 -1.501 13.030 10.153 529 H GLY 69 HN GLY 69 -0.016 9.570 10.809 530 HA2 GLY 69 HA2 GLY 69 -1.123 7.565 11.082 531 HA3 GLY 69 HA1 GLY 69 -2.294 8.389 12.094 532 H ASP 70 HN ASP 70 -1.709 9.746 9.003 533 HA ASP 70 HA ASP 70 -4.412 9.263 8.194 534 HB2 ASP 70 HB2 ASP 70 -2.104 10.465 6.647 535 HB3 ASP 70 HB1 ASP 70 -3.793 10.508 6.156 536 H TRP 71 HN TRP 71 -5.184 7.683 6.937 537 HA TRP 71 HA TRP 71 -3.238 5.826 5.738 538 HB2 TRP 71 HB2 TRP 71 -6.123 5.403 6.565 539 HB3 TRP 71 HB1 TRP 71 -5.170 4.211 5.693 540 HD1 TRP 71 HD1 TRP 71 -5.572 5.777 9.153 541 HE1 TRP 71 HE1 TRP 71 -4.320 4.320 10.867 542 HE3 TRP 71 HE3 TRP 71 -3.207 2.590 5.932 543 HZ2 TRP 71 HZ2 TRP 71 -2.557 2.112 10.849 544 HZ3 TRP 71 HZ3 TRP 71 -1.756 0.836 6.862 545 HH2 TRP 71 HH2 TRP 71 -1.438 0.604 9.271 546 H MET 72 HN MET 72 -2.975 5.948 3.670 547 HA MET 72 HA MET 72 -5.297 6.305 1.915 548 HB2 MET 72 HB2 MET 72 -2.625 7.678 1.549 549 HB3 MET 72 HB1 MET 72 -3.945 7.704 0.396 550 HG2 MET 72 HG2 MET 72 -5.314 8.960 1.914 551 HG3 MET 72 HG1 MET 72 -4.097 8.820 3.182 552 HE1 MET 72 HE1 MET 72 -1.145 10.907 1.631 553 HE2 MET 72 HE2 MET 72 -1.429 9.198 1.300 554 HE3 MET 72 HE3 MET 72 -1.636 9.829 2.937 555 H LEU 73 HN LEU 73 -4.569 5.621 -0.411 556 HA LEU 73 HA LEU 73 -3.308 3.060 -0.141 557 HB2 LEU 73 HB2 LEU 73 -5.323 3.519 -1.559 558 HB3 LEU 73 HB1 LEU 73 -4.303 4.492 -2.592 559 HG LEU 73 HG LEU 73 -3.560 1.638 -2.166 560 HD11 LEU 73 HD11 LEU 73 -4.977 0.977 -4.026 561 HD12 LEU 73 HD12 LEU 73 -5.629 2.614 -4.143 562 HD13 LEU 73 HD13 LEU 73 -5.977 1.621 -2.723 563 HD21 LEU 73 HD21 LEU 73 -1.984 2.710 -3.404 564 HD22 LEU 73 HD22 LEU 73 -3.149 3.859 -4.053 565 HD23 LEU 73 HD23 LEU 73 -3.083 2.211 -4.699 566 H VAL 74 HN VAL 74 -1.354 2.467 -1.044 567 HA VAL 74 HA VAL 74 0.606 4.495 -0.900 568 HB VAL 74 HB VAL 74 2.220 2.704 -1.567 569 HG11 VAL 74 HG11 VAL 74 1.974 1.497 0.532 570 HG12 VAL 74 HG12 VAL 74 0.310 2.065 0.673 571 HG13 VAL 74 HG13 VAL 74 1.645 3.216 0.750 572 HG21 VAL 74 HG21 VAL 74 -0.251 0.966 -1.525 573 HG22 VAL 74 HG22 VAL 74 1.412 0.397 -1.653 574 HG23 VAL 74 HG23 VAL 74 0.705 1.357 -2.953 575 H GLY 75 HN GLY 75 1.622 5.648 -2.355 576 HA2 GLY 75 HA2 GLY 75 2.450 5.968 -4.615 577 HA3 GLY 75 HA1 GLY 75 1.016 5.129 -5.190 578 H ASP 76 HN ASP 76 0.083 7.035 -2.654 579 HA ASP 76 HA ASP 76 -1.374 8.863 -4.203 580 HB2 ASP 76 HB2 ASP 76 -2.001 8.403 -1.897 581 HB3 ASP 76 HB1 ASP 76 -0.494 9.108 -1.318 582 H VAL 77 HN VAL 77 1.514 9.563 -2.213 583 HA VAL 77 HA VAL 77 2.010 11.915 -3.882 584 HB VAL 77 HB VAL 77 3.638 12.614 -2.195 585 HG11 VAL 77 HG11 VAL 77 1.350 13.331 -1.913 586 HG12 VAL 77 HG12 VAL 77 2.085 13.036 -0.339 587 HG13 VAL 77 HG13 VAL 77 0.968 11.856 -1.026 588 HG21 VAL 77 HG21 VAL 77 3.939 11.420 -0.112 589 HG22 VAL 77 HG22 VAL 77 4.372 10.380 -1.469 590 HG23 VAL 77 HG23 VAL 77 2.828 10.160 -0.645 591 HA PRO 78 HA PRO 78 5.309 10.300 -6.278 592 HB2 PRO 78 HB2 PRO 78 7.040 12.451 -5.159 593 HB3 PRO 78 HB1 PRO 78 6.727 12.018 -6.844 594 HG2 PRO 78 HG2 PRO 78 5.592 14.158 -5.760 595 HG3 PRO 78 HG1 PRO 78 4.693 13.125 -6.887 596 HD2 PRO 78 HD2 PRO 78 4.483 13.333 -3.922 597 HD3 PRO 78 HD1 PRO 78 3.218 13.024 -5.126 598 H TRP 79 HN TRP 79 6.761 8.822 -6.101 599 HA TRP 79 HA TRP 79 7.239 7.364 -3.901 600 HB2 TRP 79 HB2 TRP 79 7.692 6.688 -6.239 601 HB3 TRP 79 HB1 TRP 79 9.163 7.655 -6.210 602 HD1 TRP 79 HD1 TRP 79 11.301 6.526 -5.227 603 HE1 TRP 79 HE1 TRP 79 11.795 4.230 -4.171 604 HE3 TRP 79 HE3 TRP 79 6.513 4.847 -4.700 605 HZ2 TRP 79 HZ2 TRP 79 10.333 1.998 -3.245 606 HZ3 TRP 79 HZ3 TRP 79 6.146 2.635 -3.733 607 HH2 TRP 79 HH2 TRP 79 8.010 1.233 -3.014 608 H ASP 80 HN ASP 80 9.305 10.034 -5.008 609 HA ASP 80 HA ASP 80 11.536 9.416 -3.424 610 HB2 ASP 80 HB2 ASP 80 11.747 11.016 -5.213 611 HB3 ASP 80 HB1 ASP 80 10.565 12.083 -4.462 612 H MET 81 HN MET 81 8.715 11.430 -2.730 613 HA MET 81 HA MET 81 9.645 11.965 -0.052 614 HB2 MET 81 HB2 MET 81 8.475 13.731 -1.200 615 HB3 MET 81 HB1 MET 81 7.104 12.677 -1.515 616 HG2 MET 81 HG2 MET 81 6.565 12.599 0.809 617 HG3 MET 81 HG1 MET 81 8.013 13.513 1.225 618 HE1 MET 81 HE1 MET 81 5.643 14.165 -1.855 619 HE2 MET 81 HE2 MET 81 4.485 15.304 -1.165 620 HE3 MET 81 HE3 MET 81 4.525 13.634 -0.598 621 H PHE 82 HN PHE 82 7.629 9.699 -1.704 622 HA PHE 82 HA PHE 82 5.817 9.114 0.362 623 HB2 PHE 82 HB2 PHE 82 5.646 8.476 -2.123 624 HB3 PHE 82 HB1 PHE 82 6.642 7.083 -1.699 625 HD1 PHE 82 HD2 PHE 82 5.812 5.490 0.093 626 HD2 PHE 82 HD1 PHE 82 3.375 8.510 -1.671 627 HE1 PHE 82 HE2 PHE 82 3.779 4.367 0.938 628 HE2 PHE 82 HE1 PHE 82 1.359 7.404 -0.821 629 HZ PHE 82 HZ PHE 82 1.550 5.348 0.496 630 H VAL 83 HN VAL 83 8.967 7.707 -0.428 631 HA VAL 83 HA VAL 83 8.689 5.386 1.122 632 HB VAL 83 HB VAL 83 11.354 6.724 0.828 633 HG11 VAL 83 HG11 VAL 83 12.055 4.356 0.529 634 HG12 VAL 83 HG12 VAL 83 10.380 3.879 0.827 635 HG13 VAL 83 HG13 VAL 83 11.306 4.695 2.091 636 HG21 VAL 83 HG21 VAL 83 11.560 5.658 -1.395 637 HG22 VAL 83 HG22 VAL 83 10.380 6.966 -1.353 638 HG23 VAL 83 HG23 VAL 83 9.836 5.287 -1.343 639 H THR 84 HN THR 84 9.866 8.586 1.940 640 HA THR 84 HA THR 84 10.583 7.833 4.610 641 HB THR 84 HB THR 84 10.885 10.348 4.872 642 HG1 THR 84 HG1 THR 84 9.434 10.883 3.088 643 HG21 THR 84 HG21 THR 84 12.905 10.351 3.443 644 HG22 THR 84 HG22 THR 84 12.322 8.882 2.653 645 HG23 THR 84 HG23 THR 84 12.739 8.858 4.369 646 H SER 85 HN SER 85 7.673 8.492 3.086 647 HA SER 85 HA SER 85 6.420 9.767 5.369 648 HB2 SER 85 HB2 SER 85 5.364 8.984 2.653 649 HB3 SER 85 HB1 SER 85 4.369 9.712 3.913 650 HG SER 85 HG SER 85 5.059 11.413 2.765 651 H CYS 86 HN CYS 86 6.574 6.570 3.930 652 HA CYS 86 HA CYS 86 4.274 5.695 5.480 653 HB2 CYS 86 HB2 CYS 86 4.321 4.865 3.241 654 HB3 CYS 86 HB1 CYS 86 5.970 4.279 3.428 655 HG CYS 86 HG CYS 86 5.433 2.027 4.652 656 H LYS 87 HN LYS 87 4.371 4.788 7.357 657 HA LYS 87 HA LYS 87 6.920 3.599 8.212 658 HB2 LYS 87 HB2 LYS 87 6.423 4.304 10.509 659 HB3 LYS 87 HB1 LYS 87 6.567 5.662 9.409 660 HG2 LYS 87 HG2 LYS 87 4.022 5.632 9.293 661 HG3 LYS 87 HG1 LYS 87 4.093 4.555 10.692 662 HD2 LYS 87 HD2 LYS 87 5.501 6.282 11.837 663 HD3 LYS 87 HD1 LYS 87 5.180 7.361 10.483 664 HE2 LYS 87 HE2 LYS 87 3.663 7.915 12.236 665 HE3 LYS 87 HE1 LYS 87 2.744 7.115 10.963 666 HZ1 LYS 87 HZ1 LYS 87 2.277 6.413 13.324 667 HZ2 LYS 87 HZ2 LYS 87 3.780 5.642 13.307 668 HZ3 LYS 87 HZ3 LYS 87 2.569 5.164 12.221 669 H ARG 88 HN ARG 88 3.490 3.208 7.995 670 HA ARG 88 HA ARG 88 3.846 0.396 8.723 671 HB2 ARG 88 HB2 ARG 88 1.550 2.112 9.685 672 HB3 ARG 88 HB1 ARG 88 1.680 0.372 9.901 673 HG2 ARG 88 HG2 ARG 88 3.721 0.718 11.220 674 HG3 ARG 88 HG1 ARG 88 3.502 2.462 11.051 675 HD2 ARG 88 HD2 ARG 88 1.334 2.285 12.181 676 HD3 ARG 88 HD1 ARG 88 1.572 0.547 12.360 677 HE ARG 88 HE ARG 88 3.722 1.409 13.604 678 HH11 ARG 88 HH11 ARG 88 0.486 2.726 13.732 679 HH12 ARG 88 HH12 ARG 88 0.638 3.287 15.365 680 HH21 ARG 88 HH21 ARG 88 3.931 2.150 15.757 681 HH22 ARG 88 HH22 ARG 88 2.595 2.959 16.516 682 H LEU 89 HN LEU 89 2.313 -1.029 7.725 683 HA LEU 89 HA LEU 89 1.034 0.179 5.361 684 HB2 LEU 89 HB2 LEU 89 3.298 -1.268 5.228 685 HB3 LEU 89 HB1 LEU 89 2.131 -2.570 5.155 686 HG LEU 89 HG LEU 89 1.051 -1.226 3.264 687 HD11 LEU 89 HD11 LEU 89 2.571 0.211 2.009 688 HD12 LEU 89 HD12 LEU 89 3.757 0.071 3.305 689 HD13 LEU 89 HD13 LEU 89 2.211 0.862 3.607 690 HD21 LEU 89 HD21 LEU 89 3.751 -2.498 2.900 691 HD22 LEU 89 HD22 LEU 89 2.589 -2.187 1.610 692 HD23 LEU 89 HD23 LEU 89 2.192 -3.323 2.898 693 H ARG 90 HN ARG 90 -0.992 -0.511 4.903 694 HA ARG 90 HA ARG 90 -1.819 -3.105 5.956 695 HB2 ARG 90 HB2 ARG 90 -2.760 -1.599 7.575 696 HB3 ARG 90 HB1 ARG 90 -3.403 -0.562 6.304 697 HG2 ARG 90 HG2 ARG 90 -5.009 -2.159 5.666 698 HG3 ARG 90 HG1 ARG 90 -4.225 -3.432 6.603 699 HD2 ARG 90 HD2 ARG 90 -6.284 -2.565 7.662 700 HD3 ARG 90 HD1 ARG 90 -4.851 -2.347 8.666 701 HE ARG 90 HE ARG 90 -5.023 0.003 7.354 702 HH11 ARG 90 HH11 ARG 90 -7.364 -1.854 9.175 703 HH12 ARG 90 HH12 ARG 90 -8.228 -0.460 9.740 704 HH21 ARG 90 HH21 ARG 90 -6.150 1.851 8.110 705 HH22 ARG 90 HH22 ARG 90 -7.538 1.648 9.130 706 H ILE 91 HN ILE 91 -2.353 -4.266 4.293 707 HA ILE 91 HA ILE 91 -3.791 -3.011 2.046 708 HB ILE 91 HB ILE 91 -2.580 -5.759 2.019 709 HG12 ILE 91 HG12 ILE 91 -1.317 -3.237 0.927 710 HG13 ILE 91 HG11 ILE 91 -0.844 -3.987 2.445 711 HG21 ILE 91 HG21 ILE 91 -4.303 -5.352 0.356 712 HG22 ILE 91 HG22 ILE 91 -2.728 -5.502 -0.421 713 HG23 ILE 91 HG23 ILE 91 -3.449 -3.910 -0.195 714 HD11 ILE 91 HD11 ILE 91 0.627 -4.489 0.505 715 HD12 ILE 91 HD12 ILE 91 -0.716 -5.389 -0.207 716 HD13 ILE 91 HD13 ILE 91 -0.021 -5.899 1.335 717 H MET 92 HN MET 92 -5.820 -3.872 1.546 718 HA MET 92 HA MET 92 -6.888 -5.935 3.225 719 HB2 MET 92 HB2 MET 92 -8.501 -4.410 4.379 720 HB3 MET 92 HB1 MET 92 -6.815 -4.301 4.875 721 HG2 MET 92 HG2 MET 92 -6.545 -2.292 3.475 722 HG3 MET 92 HG1 MET 92 -8.238 -2.420 3.003 723 HE1 MET 92 HE1 MET 92 -6.768 0.170 4.279 724 HE2 MET 92 HE2 MET 92 -8.036 0.750 5.360 725 HE3 MET 92 HE3 MET 92 -8.450 0.175 3.745 726 H LYS 93 HN LYS 93 -9.125 -6.285 3.045 727 HA LYS 93 HA LYS 93 -9.965 -6.582 0.438 728 HB2 LYS 93 HB2 LYS 93 -11.484 -6.626 3.046 729 HB3 LYS 93 HB1 LYS 93 -12.153 -7.162 1.517 730 HG2 LYS 93 HG2 LYS 93 -10.481 -8.906 1.359 731 HG3 LYS 93 HG1 LYS 93 -9.725 -8.332 2.846 732 HD2 LYS 93 HD2 LYS 93 -11.105 -10.257 3.326 733 HD3 LYS 93 HD1 LYS 93 -11.817 -8.822 4.065 734 HE2 LYS 93 HE2 LYS 93 -13.368 -8.642 2.159 735 HE3 LYS 93 HE1 LYS 93 -12.677 -10.112 1.478 736 HZ1 LYS 93 HZ1 LYS 93 -14.114 -9.885 4.064 737 HZ2 LYS 93 HZ2 LYS 93 -13.394 -11.295 3.479 738 HZ3 LYS 93 HZ3 LYS 93 -14.698 -10.611 2.653 739 H GLY 94 HN GLY 94 -11.251 -5.512 -0.916 740 HA2 GLY 94 HA2 GLY 94 -11.632 -2.740 -0.686 741 HA3 GLY 94 HA1 GLY 94 -12.409 -3.787 -1.861 742 H THR 95 HN THR 95 -13.622 -5.409 0.187 743 HA THR 95 HA THR 95 -16.077 -4.081 0.528 744 HB THR 95 HB THR 95 -16.548 -5.990 2.152 745 HG1 THR 95 HG1 THR 95 -14.791 -6.953 2.836 746 HG21 THR 95 HG21 THR 95 -17.166 -6.089 -0.216 747 HG22 THR 95 HG22 THR 95 -16.635 -7.667 0.365 748 HG23 THR 95 HG23 THR 95 -15.553 -6.678 -0.616 749 H GLU 96 HN GLU 96 -13.184 -4.035 2.354 750 HA GLU 96 HA GLU 96 -14.510 -2.864 4.693 751 HB2 GLU 96 HB2 GLU 96 -11.617 -3.684 4.315 752 HB3 GLU 96 HB1 GLU 96 -12.339 -3.116 5.815 753 HG2 GLU 96 HG2 GLU 96 -12.989 -5.665 4.356 754 HG3 GLU 96 HG1 GLU 96 -12.098 -5.508 5.868 755 H ALA 97 HN ALA 97 -11.923 -2.266 2.363 756 HA ALA 97 HA ALA 97 -11.226 0.303 3.308 757 HB1 ALA 97 HB1 ALA 97 -10.764 -0.873 0.574 758 HB2 ALA 97 HB2 ALA 97 -9.723 -1.108 1.978 759 HB3 ALA 97 HB3 ALA 97 -9.914 0.502 1.281 760 H LYS 98 HN LYS 98 -13.798 -0.767 1.321 761 HA LYS 98 HA LYS 98 -14.186 1.333 -0.422 762 HB2 LYS 98 HB2 LYS 98 -16.527 0.648 -0.535 763 HB3 LYS 98 HB1 LYS 98 -15.450 -0.738 -0.554 764 HG2 LYS 98 HG2 LYS 98 -15.889 -0.971 1.914 765 HG3 LYS 98 HG1 LYS 98 -17.156 0.238 1.718 766 HD2 LYS 98 HD2 LYS 98 -17.058 -2.278 0.073 767 HD3 LYS 98 HD1 LYS 98 -17.856 -2.213 1.640 768 HE2 LYS 98 HE2 LYS 98 -19.552 -1.875 0.031 769 HE3 LYS 98 HE1 LYS 98 -19.224 -0.292 0.726 770 HZ1 LYS 98 HZ1 LYS 98 -18.041 0.353 -1.198 771 HZ2 LYS 98 HZ2 LYS 98 -19.469 -0.357 -1.746 772 HZ3 LYS 98 HZ3 LYS 98 -18.018 -1.220 -1.820 773 H GLY 99 HN GLY 99 -14.905 1.222 2.993 774 HA2 GLY 99 HA2 GLY 99 -16.682 3.407 3.079 775 HA3 GLY 99 HA1 GLY 99 -15.749 2.792 4.430 776 H LEU 100 HN LEU 100 -13.154 3.227 3.261 777 HA LEU 100 HA LEU 100 -13.074 6.129 3.701 778 HB2 LEU 100 HB2 LEU 100 -10.716 5.726 4.367 779 HB3 LEU 100 HB1 LEU 100 -11.891 4.908 5.377 780 HG LEU 100 HG LEU 100 -11.357 2.952 3.575 781 HD11 LEU 100 HD11 LEU 100 -8.766 4.448 3.952 782 HD12 LEU 100 HD12 LEU 100 -9.650 4.269 2.437 783 HD13 LEU 100 HD13 LEU 100 -8.949 2.853 3.221 784 HD21 LEU 100 HD21 LEU 100 -9.938 1.971 5.315 785 HD22 LEU 100 HD22 LEU 100 -11.382 2.717 6.000 786 HD23 LEU 100 HD23 LEU 100 -9.827 3.542 6.110 787 H GLY 101 HN GLY 101 -12.315 3.709 1.395 788 HA2 GLY 101 HA2 GLY 101 -10.568 5.585 -0.066 789 HA3 GLY 101 HA1 GLY 101 -10.626 3.838 -0.297 790 H CYS 102 HN CYS 102 -13.190 3.311 -0.573 791 HA CYS 102 HA CYS 102 -13.640 4.260 -3.236 792 HB2 CYS 102 HB2 CYS 102 -15.397 2.441 -1.592 793 HB3 CYS 102 HB1 CYS 102 -15.440 2.649 -3.339 794 HG CYS 102 HG CYS 102 -13.767 0.788 -3.876 795 H GLY 103 HN GLY 103 -14.251 5.647 -0.397 796 HA2 GLY 103 HA2 GLY 103 -16.680 6.938 -1.323 797 HA3 GLY 103 HA1 GLY 103 -15.894 7.213 0.229 798 H VAL 104 HN VAL 104 -14.383 7.052 -2.818 799 HA VAL 104 HA VAL 104 -12.740 8.358 -3.712 800 HB VAL 104 HB VAL 104 -14.704 8.761 -5.041 801 HG11 VAL 104 HG11 VAL 104 -15.292 11.088 -3.229 802 HG12 VAL 104 HG12 VAL 104 -16.235 9.606 -3.388 803 HG13 VAL 104 HG13 VAL 104 -16.124 10.730 -4.742 804 HG21 VAL 104 HG21 VAL 104 -14.086 10.903 -6.061 805 HG22 VAL 104 HG22 VAL 104 -12.681 9.900 -5.698 806 HG23 VAL 104 HG23 VAL 104 -13.082 11.268 -4.658 807 H GLY 105 HN GLY 105 -11.599 8.624 -1.632 808 HA2 GLY 105 HA2 GLY 105 -10.077 10.638 -1.345 809 HA3 GLY 105 HA1 GLY 105 -11.545 11.479 -0.884 810 H SER 106 HN SER 106 -9.597 8.630 0.014 811 HA SER 106 HA SER 106 -10.466 8.476 2.676 812 HB2 SER 106 HB2 SER 106 -9.178 6.698 1.498 813 HB3 SER 106 HB1 SER 106 -7.747 7.724 1.567 814 HG SER 106 HG SER 106 -7.432 7.046 3.521 815 H HIS 107 HN HIS 107 -10.446 10.240 3.936 816 HA HIS 107 HA HIS 107 -7.906 11.702 4.218 817 HB2 HIS 107 HB2 HIS 107 -10.723 12.691 4.711 818 HB3 HIS 107 HB1 HIS 107 -9.261 13.610 5.045 819 HD1 HIS 107 HD1 HIS 107 -11.468 14.585 3.083 820 HD2 HIS 107 HD2 HIS 107 -8.010 12.568 1.974 821 HE1 HIS 107 HE1 HIS 107 -11.052 15.224 0.685 822 HE2 HIS 107 HE2 HIS 107 -8.842 14.162 0.113 Start of MODEL 5 1 H1 HIS 1 HT1 HIS 1 17.791 -5.269 0.304 2 H2 HIS 1 HT2 HIS 1 16.744 -6.583 0.485 3 H3 HIS 1 HT3 HIS 1 18.420 -6.833 0.477 4 HA HIS 1 HA HIS 1 16.983 -5.240 2.514 5 HB2 HIS 1 HB2 HIS 1 17.854 -8.125 2.515 6 HB3 HIS 1 HB1 HIS 1 17.583 -7.233 4.003 7 HD1 HIS 1 HD1 HIS 1 15.265 -7.294 4.890 8 HD2 HIS 1 HD2 HIS 1 15.414 -8.238 0.846 9 HE1 HIS 1 HE1 HIS 1 12.920 -7.935 4.255 10 HE2 HIS 1 HE2 HIS 1 13.074 -8.666 1.849 11 H GLU 2 HN GLU 2 19.857 -7.324 2.179 12 HA GLU 2 HA GLU 2 21.332 -5.354 3.759 13 HB2 GLU 2 HB2 GLU 2 22.994 -7.211 4.065 14 HB3 GLU 2 HB1 GLU 2 21.408 -7.517 4.755 15 HG2 GLU 2 HG2 GLU 2 20.861 -8.887 2.762 16 HG3 GLU 2 HG1 GLU 2 22.513 -8.650 2.194 17 H ALA 3 HN ALA 3 21.731 -3.885 2.153 18 HA ALA 3 HA ALA 3 23.070 -2.818 0.678 19 HB1 ALA 3 HB1 ALA 3 25.183 -3.754 -0.018 20 HB2 ALA 3 HB2 ALA 3 24.694 -5.351 0.544 21 HB3 ALA 3 HB3 ALA 3 24.933 -4.044 1.703 22 H ASP 4 HN ASP 4 21.326 -5.574 -0.063 23 HA ASP 4 HA ASP 4 21.672 -5.259 -2.952 24 HB2 ASP 4 HB2 ASP 4 20.321 -7.266 -3.180 25 HB3 ASP 4 HB1 ASP 4 21.587 -7.559 -1.996 26 H VAL 5 HN VAL 5 20.596 -3.129 -1.468 27 HA VAL 5 HA VAL 5 18.972 -1.559 -1.603 28 HB VAL 5 HB VAL 5 17.540 -3.452 -3.480 29 HG11 VAL 5 HG11 VAL 5 17.026 -0.529 -2.931 30 HG12 VAL 5 HG12 VAL 5 16.022 -1.865 -2.373 31 HG13 VAL 5 HG13 VAL 5 16.174 -1.539 -4.100 32 HG21 VAL 5 HG21 VAL 5 19.696 -2.683 -4.347 33 HG22 VAL 5 HG22 VAL 5 19.219 -1.010 -4.058 34 HG23 VAL 5 HG23 VAL 5 18.355 -1.980 -5.251 35 H GLY 6 HN GLY 6 17.848 -1.201 0.153 36 HA2 GLY 6 HA2 GLY 6 15.506 -1.956 1.056 37 HA3 GLY 6 HA1 GLY 6 16.415 -3.419 1.419 38 H GLY 7 HN GLY 7 15.133 -1.763 3.365 39 HA2 GLY 7 HA2 GLY 7 16.892 -1.617 5.407 40 HA3 GLY 7 HA1 GLY 7 17.190 -0.104 4.562 41 H ILE 8 HN ILE 8 14.281 -0.147 3.724 42 HA ILE 8 HA ILE 8 13.236 0.918 6.239 43 HB ILE 8 HB ILE 8 12.554 1.573 3.381 44 HG12 ILE 8 HG12 ILE 8 12.921 3.921 4.470 45 HG13 ILE 8 HG11 ILE 8 13.735 2.996 5.726 46 HG21 ILE 8 HG21 ILE 8 10.786 3.039 4.202 47 HG22 ILE 8 HG22 ILE 8 11.040 2.438 5.841 48 HG23 ILE 8 HG23 ILE 8 10.446 1.352 4.584 49 HD11 ILE 8 HD11 ILE 8 15.344 3.811 4.167 50 HD12 ILE 8 HD12 ILE 8 14.459 3.089 2.825 51 HD13 ILE 8 HD13 ILE 8 15.226 2.056 4.036 52 H PHE 9 HN PHE 9 12.082 -0.532 7.271 53 HA PHE 9 HA PHE 9 10.675 -2.576 5.708 54 HB2 PHE 9 HB2 PHE 9 11.490 -2.623 8.622 55 HB3 PHE 9 HB1 PHE 9 10.751 -3.951 7.730 56 HD1 PHE 9 HD2 PHE 9 12.020 -4.905 5.748 57 HD2 PHE 9 HD1 PHE 9 13.801 -2.341 8.638 58 HE1 PHE 9 HE2 PHE 9 14.249 -5.674 5.051 59 HE2 PHE 9 HE1 PHE 9 16.032 -3.103 7.943 60 HZ PHE 9 HZ PHE 9 16.257 -4.771 6.147 61 H VAL 10 HN VAL 10 8.553 -2.738 5.750 62 HA VAL 10 HA VAL 10 7.080 -1.109 7.713 63 HB VAL 10 HB VAL 10 5.888 -1.785 5.087 64 HG11 VAL 10 HG11 VAL 10 4.556 -0.771 6.899 65 HG12 VAL 10 HG12 VAL 10 4.580 0.180 5.414 66 HG13 VAL 10 HG13 VAL 10 5.580 0.664 6.792 67 HG21 VAL 10 HG21 VAL 10 6.731 0.296 4.093 68 HG22 VAL 10 HG22 VAL 10 8.040 -0.828 4.465 69 HG23 VAL 10 HG23 VAL 10 7.736 0.555 5.520 70 H LYS 11 HN LYS 11 5.117 -1.960 8.408 71 HA LYS 11 HA LYS 11 4.935 -4.886 8.181 72 HB2 LYS 11 HB2 LYS 11 3.750 -3.100 10.319 73 HB3 LYS 11 HB1 LYS 11 3.760 -4.856 10.305 74 HG2 LYS 11 HG2 LYS 11 6.150 -4.894 10.588 75 HG3 LYS 11 HG1 LYS 11 6.223 -3.135 10.458 76 HD2 LYS 11 HD2 LYS 11 4.791 -2.977 12.480 77 HD3 LYS 11 HD1 LYS 11 4.873 -4.734 12.633 78 HE2 LYS 11 HE2 LYS 11 7.289 -4.613 12.882 79 HE3 LYS 11 HE1 LYS 11 7.241 -2.865 12.667 80 HZ1 LYS 11 HZ1 LYS 11 5.855 -2.745 14.688 81 HZ2 LYS 11 HZ2 LYS 11 7.395 -3.371 14.985 82 HZ3 LYS 11 HZ3 LYS 11 6.064 -4.408 14.915 83 H VAL 12 HN VAL 12 3.053 -5.779 7.437 84 HA VAL 12 HA VAL 12 0.927 -3.864 6.721 85 HB VAL 12 HB VAL 12 1.425 -4.176 4.568 86 HG11 VAL 12 HG11 VAL 12 3.127 -6.479 5.465 87 HG12 VAL 12 HG12 VAL 12 3.637 -4.843 5.022 88 HG13 VAL 12 HG13 VAL 12 3.014 -5.939 3.785 89 HG21 VAL 12 HG21 VAL 12 0.714 -6.259 3.455 90 HG22 VAL 12 HG22 VAL 12 -0.491 -5.653 4.594 91 HG23 VAL 12 HG23 VAL 12 0.534 -7.017 5.037 92 H SER 13 HN SER 13 -1.006 -4.362 7.380 93 HA SER 13 HA SER 13 -1.528 -7.104 8.297 94 HB2 SER 13 HB2 SER 13 -3.268 -5.860 9.775 95 HB3 SER 13 HB1 SER 13 -1.567 -5.779 10.229 96 HG SER 13 HG SER 13 -2.910 -3.739 10.112 97 H MET 14 HN MET 14 -3.590 -7.986 7.918 98 HA MET 14 HA MET 14 -4.925 -6.802 5.583 99 HB2 MET 14 HB2 MET 14 -4.988 -9.656 6.585 100 HB3 MET 14 HB1 MET 14 -5.754 -9.064 5.119 101 HG2 MET 14 HG2 MET 14 -2.810 -9.247 5.685 102 HG3 MET 14 HG1 MET 14 -3.736 -10.204 4.542 103 HE1 MET 14 HE1 MET 14 -5.656 -7.665 3.413 104 HE2 MET 14 HE2 MET 14 -5.095 -9.115 2.571 105 HE3 MET 14 HE3 MET 14 -4.766 -7.522 1.893 106 H ASP 15 HN ASP 15 -7.299 -7.237 5.425 107 HA ASP 15 HA ASP 15 -8.611 -7.403 8.053 108 HB2 ASP 15 HB2 ASP 15 -8.466 -5.018 7.100 109 HB3 ASP 15 HB1 ASP 15 -9.602 -5.569 5.877 110 H GLY 16 HN GLY 16 -10.517 -8.513 8.087 111 HA2 GLY 16 HA2 GLY 16 -12.356 -9.671 7.228 112 HA3 GLY 16 HA1 GLY 16 -11.729 -9.425 5.605 113 H ALA 17 HN ALA 17 -9.093 -10.406 6.145 114 HA ALA 17 HA ALA 17 -9.558 -13.156 7.054 115 HB1 ALA 17 HB1 ALA 17 -8.025 -12.409 4.571 116 HB2 ALA 17 HB2 ALA 17 -9.593 -13.214 4.626 117 HB3 ALA 17 HB3 ALA 17 -8.161 -14.030 5.256 118 HA PRO 18 HA PRO 18 -5.885 -12.342 9.392 119 HB2 PRO 18 HB2 PRO 18 -5.429 -14.834 10.297 120 HB3 PRO 18 HB1 PRO 18 -6.785 -13.860 10.875 121 HG2 PRO 18 HG2 PRO 18 -6.766 -16.057 8.850 122 HG3 PRO 18 HG1 PRO 18 -7.936 -15.736 10.126 123 HD2 PRO 18 HD2 PRO 18 -8.305 -15.046 7.509 124 HD3 PRO 18 HD1 PRO 18 -9.066 -14.196 8.865 125 H TYR 19 HN TYR 19 -3.876 -12.050 8.674 126 HA TYR 19 HA TYR 19 -2.399 -14.246 7.461 127 HB2 TYR 19 HB2 TYR 19 -2.775 -11.578 6.082 128 HB3 TYR 19 HB1 TYR 19 -1.522 -12.732 5.650 129 HD1 TYR 19 HD2 TYR 19 -2.383 -15.136 5.024 130 HD2 TYR 19 HD1 TYR 19 -4.790 -11.631 4.968 131 HE1 TYR 19 HE2 TYR 19 -3.937 -16.238 3.468 132 HE2 TYR 19 HE1 TYR 19 -6.348 -12.721 3.407 133 HH TYR 19 HH TYR 19 -6.265 -14.583 1.714 134 H LEU 20 HN LEU 20 -0.030 -13.554 7.181 135 HA LEU 20 HA LEU 20 0.646 -11.256 8.839 136 HB2 LEU 20 HB2 LEU 20 2.765 -12.821 9.408 137 HB3 LEU 20 HB1 LEU 20 1.370 -12.631 10.448 138 HG LEU 20 HG LEU 20 0.404 -14.697 9.351 139 HD11 LEU 20 HD11 LEU 20 1.866 -16.165 8.157 140 HD12 LEU 20 HD12 LEU 20 3.220 -15.054 8.364 141 HD13 LEU 20 HD13 LEU 20 1.851 -14.595 7.351 142 HD21 LEU 20 HD21 LEU 20 1.416 -14.741 11.569 143 HD22 LEU 20 HD22 LEU 20 3.008 -14.979 10.847 144 HD23 LEU 20 HD23 LEU 20 1.771 -16.225 10.683 145 H ARG 21 HN ARG 21 1.374 -9.886 7.407 146 HA ARG 21 HA ARG 21 3.440 -10.790 5.516 147 HB2 ARG 21 HB2 ARG 21 1.089 -8.973 5.007 148 HB3 ARG 21 HB1 ARG 21 2.482 -9.039 3.941 149 HG2 ARG 21 HG2 ARG 21 0.696 -11.373 4.602 150 HG3 ARG 21 HG1 ARG 21 0.595 -10.392 3.138 151 HD2 ARG 21 HD2 ARG 21 2.951 -11.023 2.630 152 HD3 ARG 21 HD1 ARG 21 2.915 -12.111 4.016 153 HE ARG 21 HE ARG 21 0.754 -12.683 2.296 154 HH11 ARG 21 HH11 ARG 21 4.238 -13.010 2.480 155 HH12 ARG 21 HH12 ARG 21 4.282 -14.406 1.452 156 HH21 ARG 21 HH21 ARG 21 0.825 -14.514 0.946 157 HH22 ARG 21 HH22 ARG 21 2.348 -15.264 0.590 158 H LYS 22 HN LYS 22 5.251 -9.551 5.429 159 HA LYS 22 HA LYS 22 5.067 -6.727 6.138 160 HB2 LYS 22 HB2 LYS 22 7.089 -8.585 7.410 161 HB3 LYS 22 HB1 LYS 22 7.205 -6.835 7.429 162 HG2 LYS 22 HG2 LYS 22 6.312 -7.261 9.489 163 HG3 LYS 22 HG1 LYS 22 4.860 -6.955 8.537 164 HD2 LYS 22 HD2 LYS 22 4.708 -9.450 8.194 165 HD3 LYS 22 HD1 LYS 22 5.979 -9.610 9.409 166 HE2 LYS 22 HE2 LYS 22 3.745 -9.887 10.380 167 HE3 LYS 22 HE1 LYS 22 4.584 -8.487 11.047 168 HZ1 LYS 22 HZ1 LYS 22 2.132 -8.263 10.331 169 HZ2 LYS 22 HZ2 LYS 22 2.754 -8.150 8.756 170 HZ3 LYS 22 HZ3 LYS 22 3.212 -7.028 9.935 171 H ILE 23 HN ILE 23 6.526 -5.445 5.009 172 HA ILE 23 HA ILE 23 8.333 -6.785 3.159 173 HB ILE 23 HB ILE 23 7.473 -5.239 1.318 174 HG12 ILE 23 HG12 ILE 23 5.115 -5.152 3.213 175 HG13 ILE 23 HG11 ILE 23 6.021 -3.793 2.564 176 HG21 ILE 23 HG21 ILE 23 7.277 -7.615 1.211 177 HG22 ILE 23 HG22 ILE 23 5.775 -6.887 0.638 178 HG23 ILE 23 HG23 ILE 23 5.854 -7.592 2.253 179 HD11 ILE 23 HD11 ILE 23 4.309 -5.667 0.950 180 HD12 ILE 23 HD12 ILE 23 5.162 -4.245 0.350 181 HD13 ILE 23 HD13 ILE 23 3.838 -4.060 1.500 182 H ASP 24 HN ASP 24 9.468 -5.069 1.752 183 HA ASP 24 HA ASP 24 10.328 -2.891 3.552 184 HB2 ASP 24 HB2 ASP 24 12.101 -4.541 3.048 185 HB3 ASP 24 HB1 ASP 24 11.874 -4.260 1.328 186 H LEU 25 HN LEU 25 10.093 -0.894 2.904 187 HA LEU 25 HA LEU 25 8.270 -0.374 0.799 188 HB2 LEU 25 HB2 LEU 25 8.593 0.761 3.087 189 HB3 LEU 25 HB1 LEU 25 9.860 1.676 2.304 190 HG LEU 25 HG LEU 25 8.069 2.393 0.618 191 HD11 LEU 25 HD11 LEU 25 5.847 2.079 1.079 192 HD12 LEU 25 HD12 LEU 25 6.126 1.880 2.809 193 HD13 LEU 25 HD13 LEU 25 6.504 0.557 1.694 194 HD21 LEU 25 HD21 LEU 25 7.357 4.190 2.067 195 HD22 LEU 25 HD22 LEU 25 9.058 3.820 2.358 196 HD23 LEU 25 HD23 LEU 25 7.828 3.257 3.489 197 H ARG 26 HN ARG 26 11.734 0.202 1.223 198 HA ARG 26 HA ARG 26 11.847 1.953 -1.076 199 HB2 ARG 26 HB2 ARG 26 14.047 2.417 -0.493 200 HB3 ARG 26 HB1 ARG 26 13.232 2.219 1.048 201 HG2 ARG 26 HG2 ARG 26 14.134 0.010 1.304 202 HG3 ARG 26 HG1 ARG 26 14.828 0.075 -0.316 203 HD2 ARG 26 HD2 ARG 26 15.594 1.769 2.055 204 HD3 ARG 26 HD1 ARG 26 16.557 0.493 1.315 205 HE ARG 26 HE ARG 26 15.999 2.347 -0.668 206 HH11 ARG 26 HH11 ARG 26 17.730 2.284 2.376 207 HH12 ARG 26 HH12 ARG 26 18.871 3.493 1.893 208 HH21 ARG 26 HH21 ARG 26 17.503 3.924 -1.309 209 HH22 ARG 26 HH22 ARG 26 18.742 4.431 -0.206 210 H VAL 27 HN VAL 27 12.399 -1.332 -0.296 211 HA VAL 27 HA VAL 27 14.140 -2.278 -2.120 212 HB VAL 27 HB VAL 27 12.241 -3.214 -0.313 213 HG11 VAL 27 HG11 VAL 27 11.384 -5.244 -1.398 214 HG12 VAL 27 HG12 VAL 27 11.922 -4.600 -2.949 215 HG13 VAL 27 HG13 VAL 27 10.688 -3.748 -2.021 216 HG21 VAL 27 HG21 VAL 27 13.579 -5.261 -0.408 217 HG22 VAL 27 HG22 VAL 27 14.532 -3.778 -0.311 218 HG23 VAL 27 HG23 VAL 27 14.384 -4.630 -1.848 219 H TYR 28 HN TYR 28 11.016 -0.991 -2.865 220 HA TYR 28 HA TYR 28 10.766 -2.484 -5.338 221 HB2 TYR 28 HB2 TYR 28 9.058 -0.229 -4.284 222 HB3 TYR 28 HB1 TYR 28 8.645 -1.342 -5.587 223 HD1 TYR 28 HD2 TYR 28 9.029 -3.919 -4.799 224 HD2 TYR 28 HD1 TYR 28 7.996 -0.649 -2.289 225 HE1 TYR 28 HE2 TYR 28 8.059 -5.483 -3.179 226 HE2 TYR 28 HE1 TYR 28 7.006 -2.211 -0.653 227 HH TYR 28 HH TYR 28 7.513 -5.582 -0.830 228 H GLY 29 HN GLY 29 11.799 0.637 -4.273 229 HA2 GLY 29 HA2 GLY 29 12.860 2.359 -5.346 230 HA3 GLY 29 HA1 GLY 29 13.205 1.219 -6.634 231 H GLY 30 HN GLY 30 9.882 1.581 -5.993 232 HA2 GLY 30 HA2 GLY 30 9.047 3.839 -7.237 233 HA3 GLY 30 HA1 GLY 30 9.484 2.784 -8.573 234 H TYR 31 HN TYR 31 7.005 3.473 -8.664 235 HA TYR 31 HA TYR 31 5.200 2.026 -7.031 236 HB2 TYR 31 HB2 TYR 31 4.781 3.340 -9.718 237 HB3 TYR 31 HB1 TYR 31 3.492 2.712 -8.694 238 HD1 TYR 31 HD2 TYR 31 3.956 3.587 -6.087 239 HD2 TYR 31 HD1 TYR 31 4.862 5.632 -9.697 240 HE1 TYR 31 HE2 TYR 31 3.865 5.728 -4.887 241 HE2 TYR 31 HE1 TYR 31 4.767 7.784 -8.515 242 HH TYR 31 HH TYR 31 4.610 8.001 -5.083 243 H SER 32 HN SER 32 6.846 1.258 -10.019 244 HA SER 32 HA SER 32 5.076 -0.638 -11.052 245 HB2 SER 32 HB2 SER 32 8.084 -0.710 -11.288 246 HB3 SER 32 HB1 SER 32 6.910 -1.430 -12.389 247 HG SER 32 HG SER 32 6.717 0.426 -13.341 248 H GLU 33 HN GLU 33 7.994 -1.211 -9.078 249 HA GLU 33 HA GLU 33 7.384 -3.980 -8.751 250 HB2 GLU 33 HB2 GLU 33 9.378 -2.151 -7.440 251 HB3 GLU 33 HB1 GLU 33 9.206 -3.838 -6.980 252 HG2 GLU 33 HG2 GLU 33 9.949 -2.781 -9.696 253 HG3 GLU 33 HG1 GLU 33 11.013 -3.591 -8.547 254 H LEU 34 HN LEU 34 6.702 -1.075 -6.992 255 HA LEU 34 HA LEU 34 5.922 -2.095 -4.515 256 HB2 LEU 34 HB2 LEU 34 6.140 0.287 -4.964 257 HB3 LEU 34 HB1 LEU 34 4.823 0.217 -6.115 258 HG LEU 34 HG LEU 34 3.401 -0.549 -4.083 259 HD11 LEU 34 HD11 LEU 34 5.273 -0.875 -2.549 260 HD12 LEU 34 HD12 LEU 34 4.152 0.349 -1.951 261 HD13 LEU 34 HD13 LEU 34 5.680 0.836 -2.683 262 HD21 LEU 34 HD21 LEU 34 3.054 1.525 -5.262 263 HD22 LEU 34 HD22 LEU 34 4.406 2.271 -4.414 264 HD23 LEU 34 HD23 LEU 34 2.958 1.808 -3.526 265 H LEU 35 HN LEU 35 3.913 -1.388 -7.358 266 HA LEU 35 HA LEU 35 1.544 -2.507 -6.319 267 HB2 LEU 35 HB2 LEU 35 2.387 -1.965 -9.164 268 HB3 LEU 35 HB1 LEU 35 0.754 -2.307 -8.643 269 HG LEU 35 HG LEU 35 2.355 0.073 -7.713 270 HD11 LEU 35 HD11 LEU 35 0.992 1.407 -9.205 271 HD12 LEU 35 HD12 LEU 35 0.188 -0.048 -9.798 272 HD13 LEU 35 HD13 LEU 35 1.905 0.201 -10.113 273 HD21 LEU 35 HD21 LEU 35 0.646 -0.577 -6.133 274 HD22 LEU 35 HD22 LEU 35 -0.560 -0.634 -7.418 275 HD23 LEU 35 HD23 LEU 35 0.165 0.906 -6.956 276 H LYS 36 HN LYS 36 4.135 -3.742 -8.277 277 HA LYS 36 HA LYS 36 2.963 -6.171 -9.083 278 HB2 LYS 36 HB2 LYS 36 5.023 -5.001 -10.030 279 HB3 LYS 36 HB1 LYS 36 5.910 -5.658 -8.665 280 HG2 LYS 36 HG2 LYS 36 4.382 -7.451 -10.509 281 HG3 LYS 36 HG1 LYS 36 6.002 -6.887 -10.913 282 HD2 LYS 36 HD2 LYS 36 6.864 -7.858 -8.847 283 HD3 LYS 36 HD1 LYS 36 5.239 -8.389 -8.409 284 HE2 LYS 36 HE2 LYS 36 6.539 -10.224 -9.340 285 HE3 LYS 36 HE1 LYS 36 5.172 -9.825 -10.378 286 HZ1 LYS 36 HZ1 LYS 36 6.666 -8.605 -11.821 287 HZ2 LYS 36 HZ2 LYS 36 7.190 -10.202 -11.653 288 HZ3 LYS 36 HZ3 LYS 36 7.979 -8.961 -10.817 289 H ALA 37 HN ALA 37 4.695 -5.197 -6.202 290 HA ALA 37 HA ALA 37 5.191 -7.790 -5.184 291 HB1 ALA 37 HB1 ALA 37 5.678 -6.688 -3.089 292 HB2 ALA 37 HB2 ALA 37 4.914 -5.206 -3.663 293 HB3 ALA 37 HB3 ALA 37 6.393 -5.789 -4.426 294 H LEU 38 HN LEU 38 2.496 -5.555 -4.871 295 HA LEU 38 HA LEU 38 1.169 -6.863 -2.737 296 HB2 LEU 38 HB2 LEU 38 -0.582 -5.662 -4.754 297 HB3 LEU 38 HB1 LEU 38 -0.492 -5.388 -3.025 298 HG LEU 38 HG LEU 38 1.592 -4.235 -4.826 299 HD11 LEU 38 HD11 LEU 38 0.111 -2.168 -4.836 300 HD12 LEU 38 HD12 LEU 38 -1.209 -3.252 -4.393 301 HD13 LEU 38 HD13 LEU 38 -0.349 -3.488 -5.912 302 HD21 LEU 38 HD21 LEU 38 1.879 -4.155 -2.380 303 HD22 LEU 38 HD22 LEU 38 0.347 -3.289 -2.249 304 HD23 LEU 38 HD23 LEU 38 1.710 -2.550 -3.092 305 H GLU 39 HN GLU 39 0.686 -6.965 -6.230 306 HA GLU 39 HA GLU 39 -1.129 -8.999 -6.480 307 HB2 GLU 39 HB2 GLU 39 1.324 -8.504 -8.175 308 HB3 GLU 39 HB1 GLU 39 -0.064 -9.471 -8.658 309 HG2 GLU 39 HG2 GLU 39 -1.473 -7.586 -8.704 310 HG3 GLU 39 HG1 GLU 39 -0.268 -6.561 -7.922 311 H THR 40 HN THR 40 2.257 -9.166 -5.702 312 HA THR 40 HA THR 40 2.516 -11.999 -5.987 313 HB THR 40 HB THR 40 4.199 -9.872 -4.679 314 HG1 THR 40 HG1 THR 40 4.266 -9.844 -6.918 315 HG21 THR 40 HG21 THR 40 5.948 -11.531 -4.367 316 HG22 THR 40 HG22 THR 40 4.874 -12.796 -4.965 317 HG23 THR 40 HG23 THR 40 4.500 -11.965 -3.448 318 H MET 41 HN MET 41 1.624 -9.820 -3.404 319 HA MET 41 HA MET 41 2.362 -11.411 -1.215 320 HB2 MET 41 HB2 MET 41 0.154 -9.341 -1.368 321 HB3 MET 41 HB1 MET 41 0.933 -9.914 0.097 322 HG2 MET 41 HG2 MET 41 2.567 -8.651 -2.051 323 HG3 MET 41 HG1 MET 41 1.604 -7.636 -0.975 324 HE1 MET 41 HE1 MET 41 2.158 -7.066 1.372 325 HE2 MET 41 HE2 MET 41 3.231 -7.981 2.428 326 HE3 MET 41 HE3 MET 41 1.734 -8.710 1.844 327 H PHE 42 HN PHE 42 -0.895 -10.816 -2.545 328 HA PHE 42 HA PHE 42 -1.838 -13.185 -1.087 329 HB2 PHE 42 HB2 PHE 42 -4.001 -11.579 -2.108 330 HB3 PHE 42 HB1 PHE 42 -3.604 -11.964 -0.438 331 HD1 PHE 42 HD1 PHE 42 -3.002 -9.605 -3.184 332 HD2 PHE 42 HD2 PHE 42 -2.543 -10.372 0.974 333 HE1 PHE 42 HE1 PHE 42 -2.292 -7.288 -2.835 334 HE2 PHE 42 HE2 PHE 42 -1.842 -8.044 1.329 335 HZ PHE 42 HZ PHE 42 -1.715 -6.508 -0.589 336 H LYS 43 HN LYS 43 -0.685 -12.639 -3.890 337 HA LYS 43 HA LYS 43 -0.699 -13.737 -5.870 338 HB2 LYS 43 HB2 LYS 43 -2.726 -15.729 -5.008 339 HB3 LYS 43 HB1 LYS 43 -1.189 -15.969 -5.818 340 HG2 LYS 43 HG2 LYS 43 -1.613 -15.429 -2.888 341 HG3 LYS 43 HG1 LYS 43 -1.134 -16.962 -3.617 342 HD2 LYS 43 HD2 LYS 43 0.953 -15.872 -4.398 343 HD3 LYS 43 HD1 LYS 43 0.444 -14.396 -3.562 344 HE2 LYS 43 HE2 LYS 43 2.023 -15.640 -2.197 345 HE3 LYS 43 HE1 LYS 43 0.437 -15.597 -1.436 346 HZ1 LYS 43 HZ1 LYS 43 1.583 -17.880 -2.953 347 HZ2 LYS 43 HZ2 LYS 43 0.037 -17.843 -2.265 348 HZ3 LYS 43 HZ3 LYS 43 1.406 -17.785 -1.273 349 H LEU 44 HN LEU 44 -2.249 -11.570 -5.999 350 HA LEU 44 HA LEU 44 -4.267 -12.339 -7.918 351 HB2 LEU 44 HB2 LEU 44 -5.971 -10.822 -6.820 352 HB3 LEU 44 HB1 LEU 44 -5.712 -12.389 -6.090 353 HG LEU 44 HG LEU 44 -4.035 -11.030 -4.565 354 HD11 LEU 44 HD11 LEU 44 -4.865 -8.789 -4.083 355 HD12 LEU 44 HD12 LEU 44 -6.027 -8.930 -5.401 356 HD13 LEU 44 HD13 LEU 44 -4.298 -8.916 -5.748 357 HD21 LEU 44 HD21 LEU 44 -5.841 -10.768 -2.953 358 HD22 LEU 44 HD22 LEU 44 -5.954 -12.309 -3.807 359 HD23 LEU 44 HD23 LEU 44 -7.025 -10.978 -4.243 360 H THR 45 HN THR 45 -5.390 -10.133 -8.686 361 HA THR 45 HA THR 45 -3.070 -8.477 -9.380 362 HB THR 45 HB THR 45 -5.701 -8.783 -10.827 363 HG1 THR 45 HG1 THR 45 -4.684 -10.582 -11.376 364 HG21 THR 45 HG21 THR 45 -3.172 -7.334 -11.626 365 HG22 THR 45 HG22 THR 45 -4.713 -6.585 -11.215 366 HG23 THR 45 HG23 THR 45 -4.580 -7.587 -12.659 367 H ILE 46 HN ILE 46 -2.965 -6.834 -7.919 368 HA ILE 46 HA ILE 46 -5.244 -5.121 -7.449 369 HB ILE 46 HB ILE 46 -2.365 -4.629 -6.731 370 HG12 ILE 46 HG12 ILE 46 -4.474 -6.341 -5.484 371 HG13 ILE 46 HG11 ILE 46 -2.733 -6.615 -5.621 372 HG21 ILE 46 HG21 ILE 46 -3.734 -2.643 -6.605 373 HG22 ILE 46 HG22 ILE 46 -3.386 -3.205 -4.967 374 HG23 ILE 46 HG23 ILE 46 -4.967 -3.508 -5.686 375 HD11 ILE 46 HD11 ILE 46 -3.615 -6.169 -3.327 376 HD12 ILE 46 HD12 ILE 46 -3.913 -4.517 -3.859 377 HD13 ILE 46 HD13 ILE 46 -2.270 -5.162 -3.860 378 H GLY 47 HN GLY 47 -5.816 -3.593 -8.874 379 HA2 GLY 47 HA2 GLY 47 -4.122 -2.795 -11.027 380 HA3 GLY 47 HA1 GLY 47 -5.705 -2.139 -10.648 381 H GLU 48 HN GLU 48 -3.803 -0.456 -11.539 382 HA GLU 48 HA GLU 48 -2.051 0.620 -9.600 383 HB2 GLU 48 HB2 GLU 48 -3.144 1.837 -12.126 384 HB3 GLU 48 HB1 GLU 48 -1.826 2.501 -11.174 385 HG2 GLU 48 HG2 GLU 48 -0.497 0.509 -11.603 386 HG3 GLU 48 HG1 GLU 48 -1.820 -0.173 -12.549 387 H TYR 49 HN TYR 49 -2.082 2.986 -9.068 388 HA TYR 49 HA TYR 49 -4.422 3.605 -7.558 389 HB2 TYR 49 HB2 TYR 49 -2.117 4.174 -6.816 390 HB3 TYR 49 HB1 TYR 49 -2.001 5.329 -8.138 391 HD1 TYR 49 HD1 TYR 49 -4.108 4.531 -5.179 392 HD2 TYR 49 HD2 TYR 49 -2.587 7.549 -7.747 393 HE1 TYR 49 HE1 TYR 49 -5.085 6.233 -3.710 394 HE2 TYR 49 HE2 TYR 49 -3.558 9.280 -6.295 395 HH TYR 49 HH TYR 49 -5.340 9.511 -4.657 396 H SER 50 HN SER 50 -6.005 3.699 -9.214 397 HA SER 50 HA SER 50 -6.152 5.496 -11.306 398 HB2 SER 50 HB2 SER 50 -8.292 4.499 -9.449 399 HB3 SER 50 HB1 SER 50 -8.632 5.356 -10.940 400 HG SER 50 HG SER 50 -7.067 3.546 -11.758 401 H GLU 51 HN GLU 51 -6.435 7.647 -11.469 402 HA GLU 51 HA GLU 51 -5.687 9.207 -9.244 403 HB2 GLU 51 HB2 GLU 51 -5.805 11.093 -10.724 404 HB3 GLU 51 HB1 GLU 51 -5.109 9.736 -11.591 405 HG2 GLU 51 HG2 GLU 51 -7.959 10.666 -11.813 406 HG3 GLU 51 HG1 GLU 51 -6.672 11.039 -12.955 407 H ARG 52 HN ARG 52 -8.760 8.468 -10.661 408 HA ARG 52 HA ARG 52 -10.148 10.664 -9.575 409 HB2 ARG 52 HB2 ARG 52 -12.180 9.510 -10.331 410 HB3 ARG 52 HB1 ARG 52 -10.936 9.604 -11.568 411 HG2 ARG 52 HG2 ARG 52 -11.346 7.445 -11.884 412 HG3 ARG 52 HG1 ARG 52 -10.402 7.206 -10.413 413 HD2 ARG 52 HD2 ARG 52 -12.504 5.988 -10.281 414 HD3 ARG 52 HD1 ARG 52 -12.459 7.283 -9.081 415 HE ARG 52 HE ARG 52 -13.706 8.448 -11.173 416 HH11 ARG 52 HH11 ARG 52 -14.260 5.416 -9.500 417 HH12 ARG 52 HH12 ARG 52 -15.969 5.427 -9.784 418 HH21 ARG 52 HH21 ARG 52 -15.957 8.462 -11.540 419 HH22 ARG 52 HH22 ARG 52 -16.934 7.164 -10.935 420 H GLU 53 HN GLU 53 -10.100 7.232 -8.483 421 HA GLU 53 HA GLU 53 -11.293 8.180 -5.984 422 HB2 GLU 53 HB2 GLU 53 -12.908 6.846 -7.046 423 HB3 GLU 53 HB1 GLU 53 -11.708 5.664 -7.562 424 HG2 GLU 53 HG2 GLU 53 -11.310 5.229 -5.157 425 HG3 GLU 53 HG1 GLU 53 -12.766 6.153 -4.812 426 H GLY 54 HN GLY 54 -8.891 6.286 -7.523 427 HA2 GLY 54 HA2 GLY 54 -7.086 5.085 -6.888 428 HA3 GLY 54 HA1 GLY 54 -6.875 6.414 -5.776 429 H TYR 55 HN TYR 55 -9.662 4.509 -5.028 430 HA TYR 55 HA TYR 55 -7.995 3.053 -3.080 431 HB2 TYR 55 HB2 TYR 55 -10.725 4.236 -2.560 432 HB3 TYR 55 HB1 TYR 55 -9.795 3.279 -1.423 433 HD1 TYR 55 HD2 TYR 55 -7.144 4.866 -2.538 434 HD2 TYR 55 HD1 TYR 55 -10.856 5.935 -0.753 435 HE1 TYR 55 HE2 TYR 55 -6.130 6.917 -1.664 436 HE2 TYR 55 HE1 TYR 55 -9.844 7.990 0.127 437 HH TYR 55 HH TYR 55 -6.853 9.159 -0.913 438 H LYS 56 HN LYS 56 -9.448 2.391 -5.746 439 HA LYS 56 HA LYS 56 -11.468 0.552 -4.926 440 HB2 LYS 56 HB2 LYS 56 -11.859 0.069 -7.179 441 HB3 LYS 56 HB1 LYS 56 -11.382 1.756 -7.171 442 HG2 LYS 56 HG2 LYS 56 -9.487 -0.484 -7.820 443 HG3 LYS 56 HG1 LYS 56 -10.464 0.337 -9.030 444 HD2 LYS 56 HD2 LYS 56 -9.390 2.481 -8.384 445 HD3 LYS 56 HD1 LYS 56 -8.356 1.580 -7.262 446 HE2 LYS 56 HE2 LYS 56 -8.500 1.247 -10.257 447 HE3 LYS 56 HE1 LYS 56 -7.191 1.999 -9.352 448 HZ1 LYS 56 HZ1 LYS 56 -7.988 -0.860 -9.218 449 HZ2 LYS 56 HZ2 LYS 56 -6.741 -0.150 -8.317 450 HZ3 LYS 56 HZ3 LYS 56 -6.625 -0.236 -9.999 451 H GLY 57 HN GLY 57 -8.099 0.269 -5.888 452 HA2 GLY 57 HA2 GLY 57 -6.533 -1.354 -5.512 453 HA3 GLY 57 HA1 GLY 57 -7.561 -1.863 -4.186 454 H SER 58 HN SER 58 -9.142 -2.033 -7.152 455 HA SER 58 HA SER 58 -10.054 -3.752 -8.285 456 HB2 SER 58 HB2 SER 58 -7.487 -5.210 -7.608 457 HB3 SER 58 HB1 SER 58 -8.652 -5.679 -8.847 458 HG SER 58 HG SER 58 -7.534 -4.429 -10.104 459 H GLU 59 HN GLU 59 -8.326 -5.926 -6.063 460 HA GLU 59 HA GLU 59 -10.876 -6.335 -4.663 461 HB2 GLU 59 HB2 GLU 59 -10.184 -8.329 -5.953 462 HB3 GLU 59 HB1 GLU 59 -8.688 -8.382 -5.024 463 HG2 GLU 59 HG2 GLU 59 -9.952 -8.684 -2.977 464 HG3 GLU 59 HG1 GLU 59 -11.458 -8.603 -3.878 465 H TYR 60 HN TYR 60 -7.658 -5.310 -4.384 466 HA TYR 60 HA TYR 60 -7.978 -5.220 -1.482 467 HB2 TYR 60 HB2 TYR 60 -5.717 -6.519 -2.948 468 HB3 TYR 60 HB1 TYR 60 -5.401 -5.722 -1.415 469 HD1 TYR 60 HD2 TYR 60 -6.505 -6.531 0.635 470 HD2 TYR 60 HD1 TYR 60 -6.892 -8.615 -3.042 471 HE1 TYR 60 HE2 TYR 60 -7.324 -8.492 1.853 472 HE2 TYR 60 HE1 TYR 60 -7.722 -10.589 -1.842 473 HH TYR 60 HH TYR 60 -7.540 -11.547 0.499 474 H ALA 61 HN ALA 61 -7.630 -3.262 -0.744 475 HA ALA 61 HA ALA 61 -6.170 -1.375 -2.448 476 HB1 ALA 61 HB1 ALA 61 -8.449 -0.736 -1.797 477 HB2 ALA 61 HB2 ALA 61 -7.255 0.379 -1.135 478 HB3 ALA 61 HB3 ALA 61 -7.990 -0.846 -0.098 479 HA PRO 62 HA PRO 62 -2.942 -1.901 0.693 480 HB2 PRO 62 HB2 PRO 62 -0.937 -0.970 -0.870 481 HB3 PRO 62 HB1 PRO 62 -1.512 -2.640 -0.956 482 HG2 PRO 62 HG2 PRO 62 -2.154 -0.321 -2.733 483 HG3 PRO 62 HG1 PRO 62 -1.805 -2.001 -3.168 484 HD2 PRO 62 HD2 PRO 62 -4.322 -0.997 -3.057 485 HD3 PRO 62 HD1 PRO 62 -3.948 -2.704 -2.715 486 H THR 63 HN THR 63 -2.845 -0.400 2.186 487 HA THR 63 HA THR 63 -2.608 2.404 1.351 488 HB THR 63 HB THR 63 -3.921 3.032 3.365 489 HG1 THR 63 HG1 THR 63 -3.927 0.253 3.694 490 HG21 THR 63 HG21 THR 63 -6.126 2.317 2.482 491 HG22 THR 63 HG22 THR 63 -5.294 1.210 1.384 492 HG23 THR 63 HG23 THR 63 -5.049 2.954 1.237 493 H TYR 64 HN TYR 64 -1.551 3.773 2.919 494 HA TYR 64 HA TYR 64 0.312 2.298 4.654 495 HB2 TYR 64 HB2 TYR 64 2.155 3.558 3.877 496 HB3 TYR 64 HB1 TYR 64 1.284 3.110 2.411 497 HD1 TYR 64 HD1 TYR 64 -0.627 4.907 1.769 498 HD2 TYR 64 HD2 TYR 64 2.889 5.728 4.005 499 HE1 TYR 64 HE1 TYR 64 -0.802 7.266 1.159 500 HE2 TYR 64 HE2 TYR 64 2.737 8.100 3.400 501 HH TYR 64 HH TYR 64 -0.024 9.473 1.967 502 H GLU 65 HN GLU 65 1.313 3.721 6.277 503 HA GLU 65 HA GLU 65 -0.582 5.780 7.165 504 HB2 GLU 65 HB2 GLU 65 -0.074 3.977 8.771 505 HB3 GLU 65 HB1 GLU 65 1.640 4.394 8.685 506 HG2 GLU 65 HG2 GLU 65 1.148 6.597 9.606 507 HG3 GLU 65 HG1 GLU 65 -0.563 6.179 9.690 508 H ASP 66 HN ASP 66 -0.057 7.834 6.834 509 HA ASP 66 HA ASP 66 2.588 8.482 5.821 510 HB2 ASP 66 HB2 ASP 66 1.656 10.423 4.969 511 HB3 ASP 66 HB1 ASP 66 0.262 9.352 4.971 512 H LYS 67 HN LYS 67 2.906 11.070 6.609 513 HA LYS 67 HA LYS 67 4.365 10.784 8.952 514 HB2 LYS 67 HB2 LYS 67 3.367 13.232 7.523 515 HB3 LYS 67 HB1 LYS 67 4.445 13.306 8.910 516 HG2 LYS 67 HG2 LYS 67 6.213 12.373 7.755 517 HG3 LYS 67 HG1 LYS 67 5.166 11.643 6.537 518 HD2 LYS 67 HD2 LYS 67 5.664 14.602 6.863 519 HD3 LYS 67 HD1 LYS 67 6.432 13.563 5.660 520 HE2 LYS 67 HE2 LYS 67 3.521 14.292 5.896 521 HE3 LYS 67 HE1 LYS 67 4.624 14.642 4.566 522 HZ1 LYS 67 HZ1 LYS 67 4.737 12.309 4.045 523 HZ2 LYS 67 HZ2 LYS 67 3.114 12.792 4.076 524 HZ3 LYS 67 HZ3 LYS 67 3.762 11.915 5.375 525 H ASP 68 HN ASP 68 1.148 12.177 8.403 526 HA ASP 68 HA ASP 68 0.884 12.917 11.191 527 HB2 ASP 68 HB2 ASP 68 -0.111 14.141 9.121 528 HB3 ASP 68 HB1 ASP 68 -1.386 12.930 9.224 529 H GLY 69 HN GLY 69 0.312 10.174 9.290 530 HA2 GLY 69 HA2 GLY 69 -0.081 8.069 10.286 531 HA3 GLY 69 HA1 GLY 69 -0.896 8.871 11.612 532 H ASP 70 HN ASP 70 -1.671 9.671 8.296 533 HA ASP 70 HA ASP 70 -4.265 8.341 8.618 534 HB2 ASP 70 HB2 ASP 70 -3.259 10.430 6.704 535 HB3 ASP 70 HB1 ASP 70 -4.746 9.543 6.391 536 H TRP 71 HN TRP 71 -5.130 7.145 6.736 537 HA TRP 71 HA TRP 71 -2.971 5.668 5.368 538 HB2 TRP 71 HB2 TRP 71 -5.600 4.523 6.358 539 HB3 TRP 71 HB1 TRP 71 -4.304 3.633 5.574 540 HD1 TRP 71 HD1 TRP 71 -4.942 5.570 8.866 541 HE1 TRP 71 HE1 TRP 71 -3.526 4.479 10.714 542 HE3 TRP 71 HE3 TRP 71 -2.434 2.128 6.043 543 HZ2 TRP 71 HZ2 TRP 71 -1.609 2.428 10.949 544 HZ3 TRP 71 HZ3 TRP 71 -0.830 0.637 7.159 545 HH2 TRP 71 HH2 TRP 71 -0.427 0.784 9.561 546 H MET 72 HN MET 72 -3.066 6.183 3.295 547 HA MET 72 HA MET 72 -5.642 5.801 1.945 548 HB2 MET 72 HB2 MET 72 -3.581 7.745 0.902 549 HB3 MET 72 HB1 MET 72 -5.260 7.554 0.418 550 HG2 MET 72 HG2 MET 72 -5.128 9.575 1.605 551 HG3 MET 72 HG1 MET 72 -5.929 8.418 2.663 552 HE1 MET 72 HE1 MET 72 -2.011 8.331 2.047 553 HE2 MET 72 HE2 MET 72 -1.488 9.593 3.165 554 HE3 MET 72 HE3 MET 72 -2.468 10.013 1.761 555 H LEU 73 HN LEU 73 -5.059 5.418 -0.561 556 HA LEU 73 HA LEU 73 -3.537 3.065 -0.588 557 HB2 LEU 73 HB2 LEU 73 -5.294 4.194 -2.326 558 HB3 LEU 73 HB1 LEU 73 -3.774 4.442 -3.169 559 HG LEU 73 HG LEU 73 -3.402 1.900 -2.617 560 HD11 LEU 73 HD11 LEU 73 -5.395 1.770 -1.204 561 HD12 LEU 73 HD12 LEU 73 -5.445 0.633 -2.554 562 HD13 LEU 73 HD13 LEU 73 -6.395 2.116 -2.613 563 HD21 LEU 73 HD21 LEU 73 -5.259 2.886 -4.777 564 HD22 LEU 73 HD22 LEU 73 -4.515 1.289 -4.739 565 HD23 LEU 73 HD23 LEU 73 -3.504 2.726 -4.877 566 H VAL 74 HN VAL 74 -1.650 2.596 -1.775 567 HA VAL 74 HA VAL 74 0.433 4.503 -1.318 568 HB VAL 74 HB VAL 74 1.937 2.768 -2.253 569 HG11 VAL 74 HG11 VAL 74 1.612 1.168 -0.430 570 HG12 VAL 74 HG12 VAL 74 -0.012 1.804 -0.166 571 HG13 VAL 74 HG13 VAL 74 1.394 2.831 0.122 572 HG21 VAL 74 HG21 VAL 74 -0.601 1.156 -2.545 573 HG22 VAL 74 HG22 VAL 74 1.038 0.547 -2.766 574 HG23 VAL 74 HG23 VAL 74 0.392 1.762 -3.869 575 H GLY 75 HN GLY 75 1.532 5.707 -2.775 576 HA2 GLY 75 HA2 GLY 75 2.018 6.368 -5.060 577 HA3 GLY 75 HA1 GLY 75 0.446 5.722 -5.516 578 H ASP 76 HN ASP 76 -0.013 7.116 -2.629 579 HA ASP 76 HA ASP 76 -1.564 9.249 -3.496 580 HB2 ASP 76 HB2 ASP 76 -1.767 8.287 -1.261 581 HB3 ASP 76 HB1 ASP 76 -0.169 8.893 -0.834 582 H VAL 77 HN VAL 77 1.695 9.446 -2.037 583 HA VAL 77 HA VAL 77 2.035 12.006 -3.445 584 HB VAL 77 HB VAL 77 3.655 12.676 -1.786 585 HG11 VAL 77 HG11 VAL 77 1.198 11.564 -0.439 586 HG12 VAL 77 HG12 VAL 77 1.303 13.104 -1.291 587 HG13 VAL 77 HG13 VAL 77 2.234 12.849 0.183 588 HG21 VAL 77 HG21 VAL 77 4.646 10.481 -1.325 589 HG22 VAL 77 HG22 VAL 77 3.193 10.019 -0.437 590 HG23 VAL 77 HG23 VAL 77 4.211 11.330 0.158 591 HA PRO 78 HA PRO 78 5.193 10.528 -6.135 592 HB2 PRO 78 HB2 PRO 78 6.903 12.656 -4.910 593 HB3 PRO 78 HB1 PRO 78 6.630 12.278 -6.615 594 HG2 PRO 78 HG2 PRO 78 5.401 14.340 -5.487 595 HG3 PRO 78 HG1 PRO 78 4.547 13.305 -6.646 596 HD2 PRO 78 HD2 PRO 78 4.286 13.454 -3.686 597 HD3 PRO 78 HD1 PRO 78 3.062 13.071 -4.912 598 H TRP 79 HN TRP 79 6.751 9.027 -6.092 599 HA TRP 79 HA TRP 79 7.131 7.458 -3.932 600 HB2 TRP 79 HB2 TRP 79 7.667 6.853 -6.277 601 HB3 TRP 79 HB1 TRP 79 9.151 7.793 -6.154 602 HD1 TRP 79 HD1 TRP 79 11.231 6.512 -5.322 603 HE1 TRP 79 HE1 TRP 79 11.645 4.224 -4.216 604 HE3 TRP 79 HE3 TRP 79 6.382 5.105 -4.550 605 HZ2 TRP 79 HZ2 TRP 79 10.107 2.104 -3.156 606 HZ3 TRP 79 HZ3 TRP 79 5.940 2.948 -3.494 607 HH2 TRP 79 HH2 TRP 79 7.760 1.469 -2.806 608 H ASP 80 HN ASP 80 9.409 9.990 -4.966 609 HA ASP 80 HA ASP 80 11.499 9.417 -3.242 610 HB2 ASP 80 HB2 ASP 80 11.685 11.045 -5.055 611 HB3 ASP 80 HB1 ASP 80 10.588 12.134 -4.211 612 H MET 81 HN MET 81 8.654 11.445 -2.642 613 HA MET 81 HA MET 81 9.506 11.998 0.075 614 HB2 MET 81 HB2 MET 81 6.902 12.635 -1.321 615 HB3 MET 81 HB1 MET 81 7.365 13.205 0.274 616 HG2 MET 81 HG2 MET 81 9.294 14.366 -0.774 617 HG3 MET 81 HG1 MET 81 8.656 13.902 -2.348 618 HE1 MET 81 HE1 MET 81 6.187 14.604 -3.161 619 HE2 MET 81 HE2 MET 81 5.166 15.754 -2.300 620 HE3 MET 81 HE3 MET 81 5.452 14.152 -1.622 621 H PHE 82 HN PHE 82 7.595 9.701 -1.609 622 HA PHE 82 HA PHE 82 5.727 9.054 0.395 623 HB2 PHE 82 HB2 PHE 82 5.741 8.418 -2.122 624 HB3 PHE 82 HB1 PHE 82 6.715 7.042 -1.608 625 HD1 PHE 82 HD1 PHE 82 5.760 5.407 0.053 626 HD2 PHE 82 HD2 PHE 82 3.444 8.476 -1.792 627 HE1 PHE 82 HE1 PHE 82 3.669 4.257 0.718 628 HE2 PHE 82 HE2 PHE 82 1.378 7.339 -1.136 629 HZ PHE 82 HZ PHE 82 1.470 5.250 0.139 630 H VAL 83 HN VAL 83 8.895 7.699 -0.406 631 HA VAL 83 HA VAL 83 8.700 5.436 1.235 632 HB VAL 83 HB VAL 83 11.347 6.749 0.748 633 HG11 VAL 83 HG11 VAL 83 11.315 4.736 2.063 634 HG12 VAL 83 HG12 VAL 83 12.034 4.389 0.489 635 HG13 VAL 83 HG13 VAL 83 10.368 3.906 0.827 636 HG21 VAL 83 HG21 VAL 83 11.428 5.657 -1.460 637 HG22 VAL 83 HG22 VAL 83 10.221 6.939 -1.381 638 HG23 VAL 83 HG23 VAL 83 9.721 5.249 -1.300 639 H THR 84 HN THR 84 9.935 8.669 1.874 640 HA THR 84 HA THR 84 10.812 7.982 4.517 641 HB THR 84 HB THR 84 11.185 10.484 4.687 642 HG1 THR 84 HG1 THR 84 10.255 11.646 3.177 643 HG21 THR 84 HG21 THR 84 12.976 8.966 4.060 644 HG22 THR 84 HG22 THR 84 13.082 10.434 3.089 645 HG23 THR 84 HG23 THR 84 12.417 8.955 2.387 646 H SER 85 HN SER 85 7.839 8.835 3.124 647 HA SER 85 HA SER 85 6.788 10.071 5.535 648 HB2 SER 85 HB2 SER 85 5.571 9.549 2.823 649 HB3 SER 85 HB1 SER 85 4.684 10.265 4.168 650 HG SER 85 HG SER 85 6.910 11.299 2.758 651 H CYS 86 HN CYS 86 6.606 6.992 3.845 652 HA CYS 86 HA CYS 86 4.278 6.118 5.253 653 HB2 CYS 86 HB2 CYS 86 4.765 5.151 3.087 654 HB3 CYS 86 HB1 CYS 86 6.305 4.531 3.670 655 HG CYS 86 HG CYS 86 5.420 2.382 4.845 656 H LYS 87 HN LYS 87 4.062 4.958 7.019 657 HA LYS 87 HA LYS 87 6.497 4.424 8.591 658 HB2 LYS 87 HB2 LYS 87 3.812 5.051 9.804 659 HB3 LYS 87 HB1 LYS 87 5.397 5.137 10.559 660 HG2 LYS 87 HG2 LYS 87 5.863 6.983 8.819 661 HG3 LYS 87 HG1 LYS 87 4.113 7.029 8.641 662 HD2 LYS 87 HD2 LYS 87 5.653 7.470 11.197 663 HD3 LYS 87 HD1 LYS 87 4.905 8.721 10.213 664 HE2 LYS 87 HE2 LYS 87 3.371 8.408 11.925 665 HE3 LYS 87 HE1 LYS 87 2.715 7.427 10.619 666 HZ1 LYS 87 HZ1 LYS 87 4.446 6.264 12.717 667 HZ2 LYS 87 HZ2 LYS 87 3.386 5.462 11.664 668 HZ3 LYS 87 HZ3 LYS 87 2.776 6.411 12.921 669 H ARG 88 HN ARG 88 3.165 3.449 7.975 670 HA ARG 88 HA ARG 88 3.907 0.681 8.534 671 HB2 ARG 88 HB2 ARG 88 1.529 2.092 9.755 672 HB3 ARG 88 HB1 ARG 88 1.724 0.346 9.733 673 HG2 ARG 88 HG2 ARG 88 3.820 0.603 11.018 674 HG3 ARG 88 HG1 ARG 88 3.507 2.337 11.112 675 HD2 ARG 88 HD2 ARG 88 1.694 0.173 12.163 676 HD3 ARG 88 HD1 ARG 88 2.794 1.143 13.139 677 HE ARG 88 HE ARG 88 1.357 3.065 12.033 678 HH11 ARG 88 HH11 ARG 88 0.278 -0.005 13.327 679 HH12 ARG 88 HH12 ARG 88 -1.253 0.610 13.861 680 HH21 ARG 88 HH21 ARG 88 -0.657 3.883 12.725 681 HH22 ARG 88 HH22 ARG 88 -1.783 2.826 13.530 682 H LEU 89 HN LEU 89 2.153 -0.837 7.748 683 HA LEU 89 HA LEU 89 0.985 0.263 5.277 684 HB2 LEU 89 HB2 LEU 89 3.242 -1.240 5.350 685 HB3 LEU 89 HB1 LEU 89 2.040 -2.506 5.215 686 HG LEU 89 HG LEU 89 1.158 -1.117 3.222 687 HD11 LEU 89 HD11 LEU 89 2.835 0.179 2.051 688 HD12 LEU 89 HD12 LEU 89 3.966 -0.065 3.383 689 HD13 LEU 89 HD13 LEU 89 2.491 0.872 3.636 690 HD21 LEU 89 HD21 LEU 89 3.717 -2.691 3.171 691 HD22 LEU 89 HD22 LEU 89 2.829 -2.208 1.723 692 HD23 LEU 89 HD23 LEU 89 2.076 -3.282 2.899 693 H ARG 90 HN ARG 90 -1.061 -0.411 4.835 694 HA ARG 90 HA ARG 90 -2.016 -2.878 6.093 695 HB2 ARG 90 HB2 ARG 90 -2.825 -1.139 7.569 696 HB3 ARG 90 HB1 ARG 90 -3.474 -0.237 6.206 697 HG2 ARG 90 HG2 ARG 90 -5.117 -1.927 5.788 698 HG3 ARG 90 HG1 ARG 90 -4.399 -2.988 7.001 699 HD2 ARG 90 HD2 ARG 90 -6.403 -1.879 7.854 700 HD3 ARG 90 HD1 ARG 90 -4.967 -1.385 8.751 701 HE ARG 90 HE ARG 90 -5.541 0.410 6.613 702 HH11 ARG 90 HH11 ARG 90 -6.474 -0.459 9.868 703 HH12 ARG 90 HH12 ARG 90 -7.097 1.114 10.249 704 HH21 ARG 90 HH21 ARG 90 -6.374 2.496 7.112 705 HH22 ARG 90 HH22 ARG 90 -7.050 2.793 8.681 706 H ILE 91 HN ILE 91 -2.886 -4.155 4.632 707 HA ILE 91 HA ILE 91 -4.133 -2.926 2.260 708 HB ILE 91 HB ILE 91 -2.986 -5.683 2.162 709 HG12 ILE 91 HG12 ILE 91 -1.507 -3.133 1.458 710 HG13 ILE 91 HG11 ILE 91 -1.140 -4.165 2.834 711 HG21 ILE 91 HG21 ILE 91 -2.866 -5.100 -0.286 712 HG22 ILE 91 HG22 ILE 91 -3.724 -3.615 0.106 713 HG23 ILE 91 HG23 ILE 91 -4.489 -5.176 0.394 714 HD11 ILE 91 HD11 ILE 91 -0.825 -4.821 -0.079 715 HD12 ILE 91 HD12 ILE 91 -0.644 -6.000 1.221 716 HD13 ILE 91 HD13 ILE 91 0.445 -4.613 1.126 717 H MET 92 HN MET 92 -6.125 -3.709 1.718 718 HA MET 92 HA MET 92 -7.122 -6.093 2.938 719 HB2 MET 92 HB2 MET 92 -9.072 -4.898 4.029 720 HB3 MET 92 HB1 MET 92 -7.512 -4.833 4.837 721 HG2 MET 92 HG2 MET 92 -7.163 -2.581 3.862 722 HG3 MET 92 HG1 MET 92 -8.790 -2.658 3.191 723 HE1 MET 92 HE1 MET 92 -7.751 -0.309 4.992 724 HE2 MET 92 HE2 MET 92 -9.052 -0.070 6.160 725 HE3 MET 92 HE3 MET 92 -9.432 -0.338 4.459 726 H LYS 93 HN LYS 93 -9.271 -6.617 2.386 727 HA LYS 93 HA LYS 93 -9.628 -6.616 -0.347 728 HB2 LYS 93 HB2 LYS 93 -10.869 -7.756 1.922 729 HB3 LYS 93 HB1 LYS 93 -12.153 -7.027 0.959 730 HG2 LYS 93 HG2 LYS 93 -11.570 -8.328 -0.950 731 HG3 LYS 93 HG1 LYS 93 -10.091 -8.901 -0.177 732 HD2 LYS 93 HD2 LYS 93 -11.407 -10.084 1.495 733 HD3 LYS 93 HD1 LYS 93 -12.895 -9.482 0.767 734 HE2 LYS 93 HE2 LYS 93 -12.466 -11.773 0.073 735 HE3 LYS 93 HE1 LYS 93 -12.368 -10.676 -1.302 736 HZ1 LYS 93 HZ1 LYS 93 -10.120 -10.967 -1.493 737 HZ2 LYS 93 HZ2 LYS 93 -10.563 -12.495 -0.917 738 HZ3 LYS 93 HZ3 LYS 93 -9.903 -11.356 0.143 739 H GLY 94 HN GLY 94 -11.196 -5.761 -1.730 740 HA2 GLY 94 HA2 GLY 94 -11.236 -2.952 -1.624 741 HA3 GLY 94 HA1 GLY 94 -12.076 -3.949 -2.795 742 H THR 95 HN THR 95 -13.604 -5.295 -0.754 743 HA THR 95 HA THR 95 -15.825 -3.561 -0.549 744 HB THR 95 HB THR 95 -16.627 -5.376 1.115 745 HG1 THR 95 HG1 THR 95 -14.853 -6.476 1.697 746 HG21 THR 95 HG21 THR 95 -15.926 -6.109 -1.731 747 HG22 THR 95 HG22 THR 95 -17.371 -5.242 -1.212 748 HG23 THR 95 HG23 THR 95 -17.126 -6.920 -0.727 749 H GLU 96 HN GLU 96 -13.033 -3.993 1.378 750 HA GLU 96 HA GLU 96 -14.260 -2.757 3.738 751 HB2 GLU 96 HB2 GLU 96 -11.389 -3.641 3.533 752 HB3 GLU 96 HB1 GLU 96 -12.386 -3.482 4.970 753 HG2 GLU 96 HG2 GLU 96 -12.529 -5.625 2.866 754 HG3 GLU 96 HG1 GLU 96 -12.033 -5.798 4.548 755 H ALA 97 HN ALA 97 -12.689 -1.912 0.939 756 HA ALA 97 HA ALA 97 -10.795 -0.011 1.724 757 HB1 ALA 97 HB1 ALA 97 -10.919 -0.938 -0.533 758 HB2 ALA 97 HB2 ALA 97 -10.922 0.826 -0.553 759 HB3 ALA 97 HB3 ALA 97 -12.424 -0.061 -0.807 760 H LYS 98 HN LYS 98 -14.214 0.143 1.671 761 HA LYS 98 HA LYS 98 -14.601 2.911 1.417 762 HB2 LYS 98 HB2 LYS 98 -16.243 0.795 2.768 763 HB3 LYS 98 HB1 LYS 98 -16.738 2.473 2.657 764 HG2 LYS 98 HG2 LYS 98 -17.840 1.304 0.921 765 HG3 LYS 98 HG1 LYS 98 -16.580 2.284 0.177 766 HD2 LYS 98 HD2 LYS 98 -15.150 0.331 -0.027 767 HD3 LYS 98 HD1 LYS 98 -16.354 -0.664 0.794 768 HE2 LYS 98 HE2 LYS 98 -16.720 0.755 -1.845 769 HE3 LYS 98 HE1 LYS 98 -16.432 -0.970 -1.632 770 HZ1 LYS 98 HZ1 LYS 98 -18.768 -0.520 -1.983 771 HZ2 LYS 98 HZ2 LYS 98 -18.805 0.528 -0.657 772 HZ3 LYS 98 HZ3 LYS 98 -18.526 -1.123 -0.420 773 H GLY 99 HN GLY 99 -13.357 1.017 3.985 774 HA2 GLY 99 HA2 GLY 99 -13.957 3.052 5.989 775 HA3 GLY 99 HA1 GLY 99 -13.264 1.471 6.294 776 H LEU 100 HN LEU 100 -11.485 2.548 3.787 777 HA LEU 100 HA LEU 100 -9.483 3.686 5.606 778 HB2 LEU 100 HB2 LEU 100 -7.825 3.135 3.922 779 HB3 LEU 100 HB1 LEU 100 -8.772 1.723 4.337 780 HG LEU 100 HG LEU 100 -10.168 2.472 2.204 781 HD11 LEU 100 HD11 LEU 100 -8.655 3.298 0.445 782 HD12 LEU 100 HD12 LEU 100 -7.415 3.576 1.666 783 HD13 LEU 100 HD13 LEU 100 -8.927 4.480 1.725 784 HD21 LEU 100 HD21 LEU 100 -8.871 0.892 0.900 785 HD22 LEU 100 HD22 LEU 100 -9.042 0.313 2.557 786 HD23 LEU 100 HD23 LEU 100 -7.524 1.030 2.027 787 H GLY 101 HN GLY 101 -11.520 4.433 2.990 788 HA2 GLY 101 HA2 GLY 101 -10.126 6.995 2.539 789 HA3 GLY 101 HA1 GLY 101 -11.267 6.243 1.424 790 H CYS 102 HN CYS 102 -13.404 5.697 2.617 791 HA CYS 102 HA CYS 102 -15.375 6.462 3.426 792 HB2 CYS 102 HB2 CYS 102 -14.138 6.240 5.559 793 HB3 CYS 102 HB1 CYS 102 -13.627 7.917 5.417 794 HG CYS 102 HG CYS 102 -16.411 6.674 6.662 795 H GLY 103 HN GLY 103 -16.022 7.638 1.664 796 HA2 GLY 103 HA2 GLY 103 -17.120 9.567 0.984 797 HA3 GLY 103 HA1 GLY 103 -16.239 10.474 2.205 798 H VAL 104 HN VAL 104 -13.821 10.560 1.778 799 HA VAL 104 HA VAL 104 -13.364 11.683 -0.782 800 HB VAL 104 HB VAL 104 -12.171 12.620 1.092 801 HG11 VAL 104 HG11 VAL 104 -10.872 9.922 1.431 802 HG12 VAL 104 HG12 VAL 104 -12.026 10.673 2.532 803 HG13 VAL 104 HG13 VAL 104 -10.430 11.389 2.303 804 HG21 VAL 104 HG21 VAL 104 -11.051 12.748 -1.047 805 HG22 VAL 104 HG22 VAL 104 -10.295 11.179 -0.774 806 HG23 VAL 104 HG23 VAL 104 -9.863 12.553 0.242 807 H GLY 105 HN GLY 105 -13.252 10.503 -2.477 808 HA2 GLY 105 HA2 GLY 105 -12.250 9.042 -3.991 809 HA3 GLY 105 HA1 GLY 105 -11.299 8.373 -2.672 810 H SER 106 HN SER 106 -12.450 6.971 -1.138 811 HA SER 106 HA SER 106 -13.916 5.016 -2.641 812 HB2 SER 106 HB2 SER 106 -12.192 4.400 -0.952 813 HB3 SER 106 HB1 SER 106 -13.247 5.030 0.313 814 HG SER 106 HG SER 106 -13.619 2.786 -1.362 815 H HIS 107 HN HIS 107 -16.032 4.588 -2.593 816 HA HIS 107 HA HIS 107 -17.707 6.143 -0.777 817 HB2 HIS 107 HB2 HIS 107 -19.405 6.136 -2.770 818 HB3 HIS 107 HB1 HIS 107 -18.140 7.352 -2.696 819 HD1 HIS 107 HD1 HIS 107 -19.689 5.366 -5.107 820 HD2 HIS 107 HD2 HIS 107 -15.732 6.126 -4.149 821 HE1 HIS 107 HE1 HIS 107 -18.382 4.812 -7.186 822 HE2 HIS 107 HE2 HIS 107 -15.959 5.048 -6.489 Start of MODEL 6 1 H1 HIS 1 HT1 HIS 1 21.007 0.961 -4.448 2 H2 HIS 1 HT2 HIS 1 22.461 1.816 -4.435 3 H3 HIS 1 HT3 HIS 1 22.189 0.631 -5.613 4 HA HIS 1 HA HIS 1 20.687 3.169 -5.312 5 HB2 HIS 1 HB2 HIS 1 22.738 2.299 -7.357 6 HB3 HIS 1 HB1 HIS 1 21.713 3.716 -7.536 7 HD1 HIS 1 HD1 HIS 1 22.081 5.624 -5.660 8 HD2 HIS 1 HD2 HIS 1 25.035 2.717 -5.949 9 HE1 HIS 1 HE1 HIS 1 24.088 6.582 -4.491 10 HE2 HIS 1 HE2 HIS 1 25.815 4.749 -4.556 11 H GLU 2 HN GLU 2 20.994 0.035 -6.792 12 HA GLU 2 HA GLU 2 18.783 0.473 -8.611 13 HB2 GLU 2 HB2 GLU 2 19.116 -1.910 -9.210 14 HB3 GLU 2 HB1 GLU 2 20.589 -0.970 -9.361 15 HG2 GLU 2 HG2 GLU 2 19.954 -2.712 -6.990 16 HG3 GLU 2 HG1 GLU 2 20.871 -3.254 -8.391 17 H ALA 3 HN ALA 3 17.231 1.078 -7.039 18 HA ALA 3 HA ALA 3 15.570 0.814 -5.518 19 HB1 ALA 3 HB1 ALA 3 15.904 -2.145 -6.022 20 HB2 ALA 3 HB2 ALA 3 14.856 -1.063 -6.937 21 HB3 ALA 3 HB3 ALA 3 14.532 -1.369 -5.232 22 H ASP 4 HN ASP 4 15.136 -0.797 -3.402 23 HA ASP 4 HA ASP 4 15.772 -1.061 -1.236 24 HB2 ASP 4 HB2 ASP 4 17.166 -2.870 -2.196 25 HB3 ASP 4 HB1 ASP 4 18.472 -1.719 -2.447 26 H VAL 5 HN VAL 5 15.681 1.480 -2.202 27 HA VAL 5 HA VAL 5 18.049 2.911 -1.301 28 HB VAL 5 HB VAL 5 15.451 4.034 -2.373 29 HG11 VAL 5 HG11 VAL 5 16.766 6.052 -2.808 30 HG12 VAL 5 HG12 VAL 5 18.177 5.290 -2.075 31 HG13 VAL 5 HG13 VAL 5 16.757 5.644 -1.092 32 HG21 VAL 5 HG21 VAL 5 16.591 4.254 -4.518 33 HG22 VAL 5 HG22 VAL 5 16.510 2.565 -4.017 34 HG23 VAL 5 HG23 VAL 5 18.020 3.462 -3.850 35 H GLY 6 HN GLY 6 18.033 2.557 0.916 36 HA2 GLY 6 HA2 GLY 6 17.425 4.020 2.837 37 HA3 GLY 6 HA1 GLY 6 15.755 3.770 2.345 38 H GLY 7 HN GLY 7 15.625 3.094 4.639 39 HA2 GLY 7 HA2 GLY 7 16.076 0.201 4.831 40 HA3 GLY 7 HA1 GLY 7 16.670 1.239 6.117 41 H ILE 8 HN ILE 8 13.663 1.643 4.323 42 HA ILE 8 HA ILE 8 12.251 1.695 6.840 43 HB ILE 8 HB ILE 8 11.260 2.277 4.051 44 HG12 ILE 8 HG12 ILE 8 10.980 4.589 5.096 45 HG13 ILE 8 HG11 ILE 8 11.991 4.009 6.409 46 HG21 ILE 8 HG21 ILE 8 9.197 3.054 5.108 47 HG22 ILE 8 HG22 ILE 8 9.801 2.528 6.679 48 HG23 ILE 8 HG23 ILE 8 9.467 1.338 5.420 49 HD11 ILE 8 HD11 ILE 8 13.790 3.577 4.827 50 HD12 ILE 8 HD12 ILE 8 13.293 5.270 4.815 51 HD13 ILE 8 HD13 ILE 8 12.784 4.192 3.515 52 H PHE 9 HN PHE 9 11.553 -0.098 7.673 53 HA PHE 9 HA PHE 9 10.652 -2.283 5.933 54 HB2 PHE 9 HB2 PHE 9 11.280 -2.174 8.885 55 HB3 PHE 9 HB1 PHE 9 10.498 -3.554 8.130 56 HD1 PHE 9 HD2 PHE 9 11.703 -4.807 6.354 57 HD2 PHE 9 HD1 PHE 9 13.617 -1.898 8.795 58 HE1 PHE 9 HE2 PHE 9 13.884 -5.760 5.761 59 HE2 PHE 9 HE1 PHE 9 15.811 -2.847 8.211 60 HZ PHE 9 HZ PHE 9 15.948 -4.783 6.694 61 H VAL 10 HN VAL 10 8.529 -2.800 5.775 62 HA VAL 10 HA VAL 10 6.719 -1.254 7.499 63 HB VAL 10 HB VAL 10 5.327 -2.090 5.180 64 HG11 VAL 10 HG11 VAL 10 4.797 -0.195 6.665 65 HG12 VAL 10 HG12 VAL 10 4.832 0.255 4.961 66 HG13 VAL 10 HG13 VAL 10 6.188 0.679 6.016 67 HG21 VAL 10 HG21 VAL 10 6.505 -0.932 3.407 68 HG22 VAL 10 HG22 VAL 10 7.553 -2.172 4.102 69 HG23 VAL 10 HG23 VAL 10 7.790 -0.478 4.531 70 H LYS 11 HN LYS 11 5.115 -2.285 8.466 71 HA LYS 11 HA LYS 11 4.899 -5.184 8.057 72 HB2 LYS 11 HB2 LYS 11 3.909 -3.496 10.366 73 HB3 LYS 11 HB1 LYS 11 3.846 -5.248 10.256 74 HG2 LYS 11 HG2 LYS 11 6.167 -5.462 10.489 75 HG3 LYS 11 HG1 LYS 11 6.439 -3.749 10.158 76 HD2 LYS 11 HD2 LYS 11 5.274 -3.192 12.259 77 HD3 LYS 11 HD1 LYS 11 5.097 -4.914 12.594 78 HE2 LYS 11 HE2 LYS 11 7.732 -3.515 12.198 79 HE3 LYS 11 HE1 LYS 11 7.007 -3.842 13.771 80 HZ1 LYS 11 HZ1 LYS 11 7.843 -5.861 11.766 81 HZ2 LYS 11 HZ2 LYS 11 7.071 -6.215 13.227 82 HZ3 LYS 11 HZ3 LYS 11 8.613 -5.526 13.232 83 H VAL 12 HN VAL 12 2.983 -6.029 7.384 84 HA VAL 12 HA VAL 12 0.860 -4.064 6.811 85 HB VAL 12 HB VAL 12 1.388 -4.226 4.647 86 HG11 VAL 12 HG11 VAL 12 3.019 -6.620 5.433 87 HG12 VAL 12 HG12 VAL 12 3.570 -4.988 5.025 88 HG13 VAL 12 HG13 VAL 12 2.910 -6.037 3.765 89 HG21 VAL 12 HG21 VAL 12 -0.575 -5.637 4.537 90 HG22 VAL 12 HG22 VAL 12 0.396 -7.063 4.906 91 HG23 VAL 12 HG23 VAL 12 0.631 -6.210 3.381 92 H SER 13 HN SER 13 -1.074 -4.602 7.453 93 HA SER 13 HA SER 13 -1.505 -7.350 8.395 94 HB2 SER 13 HB2 SER 13 -3.232 -6.124 9.898 95 HB3 SER 13 HB1 SER 13 -1.519 -5.981 10.291 96 HG SER 13 HG SER 13 -3.178 -4.022 9.903 97 H MET 14 HN MET 14 -3.663 -8.206 8.254 98 HA MET 14 HA MET 14 -5.146 -7.104 5.965 99 HB2 MET 14 HB2 MET 14 -4.240 -9.304 5.489 100 HB3 MET 14 HB1 MET 14 -4.939 -9.950 6.967 101 HG2 MET 14 HG2 MET 14 -6.209 -10.586 4.966 102 HG3 MET 14 HG1 MET 14 -7.169 -9.642 6.101 103 HE1 MET 14 HE1 MET 14 -4.933 -9.427 2.891 104 HE2 MET 14 HE2 MET 14 -4.408 -8.054 3.871 105 HE3 MET 14 HE3 MET 14 -5.266 -7.778 2.357 106 H ASP 15 HN ASP 15 -7.240 -6.598 6.198 107 HA ASP 15 HA ASP 15 -8.451 -7.065 8.824 108 HB2 ASP 15 HB2 ASP 15 -8.684 -4.902 6.820 109 HB3 ASP 15 HB1 ASP 15 -10.174 -5.354 7.643 110 H GLY 16 HN GLY 16 -10.317 -8.136 9.062 111 HA2 GLY 16 HA2 GLY 16 -12.295 -9.215 8.403 112 HA3 GLY 16 HA1 GLY 16 -11.797 -9.059 6.724 113 H ALA 17 HN ALA 17 -9.161 -10.130 7.088 114 HA ALA 17 HA ALA 17 -9.657 -12.829 8.143 115 HB1 ALA 17 HB1 ALA 17 -8.288 -12.228 5.529 116 HB2 ALA 17 HB2 ALA 17 -9.879 -12.964 5.727 117 HB3 ALA 17 HB3 ALA 17 -8.436 -13.819 6.278 118 HA PRO 18 HA PRO 18 -5.728 -12.105 10.099 119 HB2 PRO 18 HB2 PRO 18 -5.282 -14.578 11.054 120 HB3 PRO 18 HB1 PRO 18 -6.538 -13.531 11.721 121 HG2 PRO 18 HG2 PRO 18 -6.800 -15.802 9.799 122 HG3 PRO 18 HG1 PRO 18 -7.829 -15.378 11.162 123 HD2 PRO 18 HD2 PRO 18 -8.400 -14.779 8.550 124 HD3 PRO 18 HD1 PRO 18 -9.025 -13.867 9.934 125 H TYR 19 HN TYR 19 -3.807 -11.903 9.124 126 HA TYR 19 HA TYR 19 -2.504 -14.215 7.946 127 HB2 TYR 19 HB2 TYR 19 -3.073 -11.705 6.355 128 HB3 TYR 19 HB1 TYR 19 -1.815 -12.850 5.917 129 HD1 TYR 19 HD1 TYR 19 -2.541 -15.264 5.417 130 HD2 TYR 19 HD2 TYR 19 -5.255 -12.005 5.628 131 HE1 TYR 19 HE1 TYR 19 -4.176 -16.548 4.104 132 HE2 TYR 19 HE2 TYR 19 -6.899 -13.275 4.317 133 HH TYR 19 HH TYR 19 -6.805 -15.184 2.611 134 H LEU 20 HN LEU 20 -0.186 -13.691 7.420 135 HA LEU 20 HA LEU 20 0.786 -11.404 9.005 136 HB2 LEU 20 HB2 LEU 20 2.091 -14.109 8.720 137 HB3 LEU 20 HB1 LEU 20 2.754 -12.745 9.598 138 HG LEU 20 HG LEU 20 0.183 -14.154 10.320 139 HD11 LEU 20 HD11 LEU 20 1.445 -15.117 12.171 140 HD12 LEU 20 HD12 LEU 20 2.922 -14.365 11.569 141 HD13 LEU 20 HD13 LEU 20 2.118 -15.617 10.621 142 HD21 LEU 20 HD21 LEU 20 0.393 -12.906 12.420 143 HD22 LEU 20 HD22 LEU 20 0.237 -11.829 11.033 144 HD23 LEU 20 HD23 LEU 20 1.814 -12.080 11.782 145 H ARG 21 HN ARG 21 1.308 -9.977 7.457 146 HA ARG 21 HA ARG 21 3.233 -10.848 5.405 147 HB2 ARG 21 HB2 ARG 21 0.819 -9.089 5.102 148 HB3 ARG 21 HB1 ARG 21 2.205 -8.863 4.048 149 HG2 ARG 21 HG2 ARG 21 0.714 -10.235 2.866 150 HG3 ARG 21 HG1 ARG 21 1.984 -11.312 3.449 151 HD2 ARG 21 HD2 ARG 21 0.491 -11.900 5.362 152 HD3 ARG 21 HD1 ARG 21 -0.782 -10.954 4.590 153 HE ARG 21 HE ARG 21 0.393 -13.448 3.559 154 HH11 ARG 21 HH11 ARG 21 -2.111 -11.003 3.439 155 HH12 ARG 21 HH12 ARG 21 -3.142 -11.924 2.396 156 HH21 ARG 21 HH21 ARG 21 -0.963 -14.666 2.194 157 HH22 ARG 21 HH22 ARG 21 -2.495 -14.017 1.695 158 H LYS 22 HN LYS 22 5.096 -9.680 5.333 159 HA LYS 22 HA LYS 22 5.023 -6.874 6.143 160 HB2 LYS 22 HB2 LYS 22 7.095 -8.795 7.232 161 HB3 LYS 22 HB1 LYS 22 7.128 -7.051 7.409 162 HG2 LYS 22 HG2 LYS 22 6.330 -7.755 9.449 163 HG3 LYS 22 HG1 LYS 22 4.853 -7.347 8.576 164 HD2 LYS 22 HD2 LYS 22 4.709 -9.790 7.944 165 HD3 LYS 22 HD1 LYS 22 6.003 -10.077 9.112 166 HE2 LYS 22 HE2 LYS 22 3.718 -10.446 10.023 167 HE3 LYS 22 HE1 LYS 22 4.661 -9.240 10.899 168 HZ1 LYS 22 HZ1 LYS 22 3.357 -7.539 10.156 169 HZ2 LYS 22 HZ2 LYS 22 2.196 -8.767 10.210 170 HZ3 LYS 22 HZ3 LYS 22 2.901 -8.331 8.729 171 H ILE 23 HN ILE 23 6.502 -5.583 5.045 172 HA ILE 23 HA ILE 23 8.267 -6.870 3.134 173 HB ILE 23 HB ILE 23 7.324 -5.262 1.318 174 HG12 ILE 23 HG12 ILE 23 4.992 -5.516 3.226 175 HG13 ILE 23 HG11 ILE 23 5.682 -4.053 2.539 176 HG21 ILE 23 HG21 ILE 23 7.401 -7.656 1.102 177 HG22 ILE 23 HG22 ILE 23 5.847 -7.057 0.520 178 HG23 ILE 23 HG23 ILE 23 5.959 -7.829 2.102 179 HD11 ILE 23 HD11 ILE 23 4.165 -6.165 1.022 180 HD12 ILE 23 HD12 ILE 23 4.856 -4.695 0.334 181 HD13 ILE 23 HD13 ILE 23 3.549 -4.588 1.513 182 H ASP 24 HN ASP 24 9.314 -5.073 1.703 183 HA ASP 24 HA ASP 24 10.359 -3.074 3.599 184 HB2 ASP 24 HB2 ASP 24 11.596 -4.356 1.150 185 HB3 ASP 24 HB1 ASP 24 12.357 -3.093 2.098 186 H LEU 25 HN LEU 25 10.081 -0.971 3.110 187 HA LEU 25 HA LEU 25 8.388 -0.238 0.945 188 HB2 LEU 25 HB2 LEU 25 9.038 0.866 3.333 189 HB3 LEU 25 HB1 LEU 25 9.993 1.856 2.252 190 HG LEU 25 HG LEU 25 8.180 3.140 2.022 191 HD11 LEU 25 HD11 LEU 25 8.012 1.782 -0.081 192 HD12 LEU 25 HD12 LEU 25 6.501 2.517 0.463 193 HD13 LEU 25 HD13 LEU 25 6.797 0.798 0.744 194 HD21 LEU 25 HD21 LEU 25 7.288 2.197 4.066 195 HD22 LEU 25 HD22 LEU 25 6.572 0.878 3.140 196 HD23 LEU 25 HD23 LEU 25 6.000 2.527 2.905 197 H ARG 26 HN ARG 26 11.807 -0.198 1.523 198 HA ARG 26 HA ARG 26 12.360 1.751 -0.472 199 HB2 ARG 26 HB2 ARG 26 14.623 1.619 0.207 200 HB3 ARG 26 HB1 ARG 26 13.616 1.645 1.641 201 HG2 ARG 26 HG2 ARG 26 14.374 -0.988 0.603 202 HG3 ARG 26 HG1 ARG 26 15.666 -0.004 1.271 203 HD2 ARG 26 HD2 ARG 26 14.713 0.055 3.388 204 HD3 ARG 26 HD1 ARG 26 13.135 -0.439 2.808 205 HE ARG 26 HE ARG 26 13.810 -2.645 2.877 206 HH11 ARG 26 HH11 ARG 26 16.632 -0.604 3.342 207 HH12 ARG 26 HH12 ARG 26 17.574 -1.890 4.030 208 HH21 ARG 26 HH21 ARG 26 15.046 -4.298 3.770 209 HH22 ARG 26 HH22 ARG 26 16.686 -3.976 4.270 210 H VAL 27 HN VAL 27 12.037 -1.639 -0.559 211 HA VAL 27 HA VAL 27 14.175 -2.068 -2.451 212 HB VAL 27 HB VAL 27 13.458 -4.395 -2.525 213 HG11 VAL 27 HG11 VAL 27 13.631 -3.244 0.253 214 HG12 VAL 27 HG12 VAL 27 14.977 -3.735 -0.776 215 HG13 VAL 27 HG13 VAL 27 13.855 -4.946 -0.154 216 HG21 VAL 27 HG21 VAL 27 11.623 -5.177 -1.070 217 HG22 VAL 27 HG22 VAL 27 11.062 -4.134 -2.377 218 HG23 VAL 27 HG23 VAL 27 11.202 -3.496 -0.738 219 H TYR 28 HN TYR 28 11.130 -0.808 -2.853 220 HA TYR 28 HA TYR 28 10.504 -2.253 -5.285 221 HB2 TYR 28 HB2 TYR 28 9.170 0.248 -4.256 222 HB3 TYR 28 HB1 TYR 28 8.521 -0.915 -5.407 223 HD1 TYR 28 HD2 TYR 28 8.616 -3.462 -4.311 224 HD2 TYR 28 HD1 TYR 28 8.182 0.206 -2.201 225 HE1 TYR 28 HE2 TYR 28 7.518 -4.658 -2.457 226 HE2 TYR 28 HE1 TYR 28 7.071 -0.982 -0.358 227 HH TYR 28 HH TYR 28 5.833 -3.064 -0.004 228 H GLY 29 HN GLY 29 11.947 0.769 -4.353 229 HA2 GLY 29 HA2 GLY 29 13.033 2.402 -5.532 230 HA3 GLY 29 HA1 GLY 29 13.362 1.146 -6.709 231 H GLY 30 HN GLY 30 10.027 1.753 -6.239 232 HA2 GLY 30 HA2 GLY 30 9.443 3.955 -7.762 233 HA3 GLY 30 HA1 GLY 30 9.747 2.676 -8.932 234 H TYR 31 HN TYR 31 7.281 3.867 -8.817 235 HA TYR 31 HA TYR 31 5.408 2.683 -7.116 236 HB2 TYR 31 HB2 TYR 31 5.107 3.894 -9.857 237 HB3 TYR 31 HB1 TYR 31 3.736 3.292 -8.935 238 HD1 TYR 31 HD1 TYR 31 4.493 4.187 -6.203 239 HD2 TYR 31 HD2 TYR 31 4.731 6.196 -9.944 240 HE1 TYR 31 HE1 TYR 31 4.306 6.344 -5.048 241 HE2 TYR 31 HE2 TYR 31 4.541 8.363 -8.797 242 HH TYR 31 HH TYR 31 4.697 8.637 -5.334 243 H SER 32 HN SER 32 6.728 1.523 -10.175 244 HA SER 32 HA SER 32 4.691 -0.325 -10.749 245 HB2 SER 32 HB2 SER 32 6.546 -1.460 -12.107 246 HB3 SER 32 HB1 SER 32 6.140 0.205 -12.532 247 HG SER 32 HG SER 32 8.459 -0.843 -11.448 248 H GLU 33 HN GLU 33 7.881 -0.837 -9.247 249 HA GLU 33 HA GLU 33 7.387 -3.567 -8.695 250 HB2 GLU 33 HB2 GLU 33 9.433 -1.601 -7.713 251 HB3 GLU 33 HB1 GLU 33 9.336 -3.223 -7.049 252 HG2 GLU 33 HG2 GLU 33 11.009 -3.226 -8.733 253 HG3 GLU 33 HG1 GLU 33 9.622 -4.117 -9.346 254 H LEU 34 HN LEU 34 6.731 -0.602 -7.032 255 HA LEU 34 HA LEU 34 6.090 -1.597 -4.483 256 HB2 LEU 34 HB2 LEU 34 6.268 0.768 -4.811 257 HB3 LEU 34 HB1 LEU 34 5.071 0.742 -6.089 258 HG LEU 34 HG LEU 34 3.473 -0.082 -4.185 259 HD11 LEU 34 HD11 LEU 34 4.011 0.914 -2.017 260 HD12 LEU 34 HD12 LEU 34 5.606 1.360 -2.625 261 HD13 LEU 34 HD13 LEU 34 5.163 -0.341 -2.473 262 HD21 LEU 34 HD21 LEU 34 2.881 2.255 -3.730 263 HD22 LEU 34 HD22 LEU 34 3.182 1.965 -5.441 264 HD23 LEU 34 HD23 LEU 34 4.400 2.772 -4.458 265 H LEU 35 HN LEU 35 3.980 -0.885 -7.255 266 HA LEU 35 HA LEU 35 1.635 -1.891 -6.054 267 HB2 LEU 35 HB2 LEU 35 2.316 -1.339 -8.941 268 HB3 LEU 35 HB1 LEU 35 0.703 -1.664 -8.342 269 HG LEU 35 HG LEU 35 2.384 0.664 -7.421 270 HD11 LEU 35 HD11 LEU 35 1.006 2.058 -8.850 271 HD12 LEU 35 HD12 LEU 35 0.167 0.631 -9.462 272 HD13 LEU 35 HD13 LEU 35 1.882 0.863 -9.806 273 HD21 LEU 35 HD21 LEU 35 0.240 1.514 -6.577 274 HD22 LEU 35 HD22 LEU 35 0.690 -0.015 -5.824 275 HD23 LEU 35 HD23 LEU 35 -0.543 0.016 -7.084 276 H LYS 36 HN LYS 36 4.002 -3.290 -8.229 277 HA LYS 36 HA LYS 36 2.443 -5.589 -8.858 278 HB2 LYS 36 HB2 LYS 36 5.380 -5.001 -9.240 279 HB3 LYS 36 HB1 LYS 36 4.595 -6.465 -9.823 280 HG2 LYS 36 HG2 LYS 36 3.933 -3.640 -10.636 281 HG3 LYS 36 HG1 LYS 36 4.819 -4.825 -11.595 282 HD2 LYS 36 HD2 LYS 36 2.878 -6.221 -11.776 283 HD3 LYS 36 HD1 LYS 36 1.988 -5.212 -10.637 284 HE2 LYS 36 HE2 LYS 36 2.174 -3.328 -12.231 285 HE3 LYS 36 HE1 LYS 36 2.941 -4.422 -13.382 286 HZ1 LYS 36 HZ1 LYS 36 0.527 -4.103 -13.739 287 HZ2 LYS 36 HZ2 LYS 36 0.231 -4.851 -12.246 288 HZ3 LYS 36 HZ3 LYS 36 0.964 -5.718 -13.499 289 H ALA 37 HN ALA 37 4.842 -4.850 -6.413 290 HA ALA 37 HA ALA 37 5.339 -7.448 -5.488 291 HB1 ALA 37 HB1 ALA 37 6.024 -6.424 -3.403 292 HB2 ALA 37 HB2 ALA 37 5.204 -4.926 -3.841 293 HB3 ALA 37 HB3 ALA 37 6.607 -5.464 -4.762 294 H LEU 38 HN LEU 38 2.741 -5.189 -4.790 295 HA LEU 38 HA LEU 38 1.579 -6.667 -2.654 296 HB2 LEU 38 HB2 LEU 38 -0.214 -5.001 -4.286 297 HB3 LEU 38 HB1 LEU 38 0.046 -5.016 -2.551 298 HG LEU 38 HG LEU 38 2.041 -3.804 -4.439 299 HD11 LEU 38 HD11 LEU 38 -0.131 -2.761 -4.812 300 HD12 LEU 38 HD12 LEU 38 1.014 -1.657 -4.046 301 HD13 LEU 38 HD13 LEU 38 -0.253 -2.418 -3.085 302 HD21 LEU 38 HD21 LEU 38 1.461 -3.356 -1.513 303 HD22 LEU 38 HD22 LEU 38 2.720 -2.563 -2.462 304 HD23 LEU 38 HD23 LEU 38 2.800 -4.299 -2.166 305 H GLU 39 HN GLU 39 0.658 -6.203 -6.050 306 HA GLU 39 HA GLU 39 -1.321 -8.104 -6.278 307 HB2 GLU 39 HB2 GLU 39 0.830 -7.559 -8.335 308 HB3 GLU 39 HB1 GLU 39 -0.761 -8.244 -8.645 309 HG2 GLU 39 HG2 GLU 39 -1.692 -6.072 -7.698 310 HG3 GLU 39 HG1 GLU 39 -0.056 -5.441 -7.848 311 H THR 40 HN THR 40 2.121 -8.563 -6.004 312 HA THR 40 HA THR 40 2.145 -11.351 -6.626 313 HB THR 40 HB THR 40 4.081 -9.517 -5.224 314 HG1 THR 40 HG1 THR 40 4.934 -9.356 -7.155 315 HG21 THR 40 HG21 THR 40 5.711 -11.344 -5.245 316 HG22 THR 40 HG22 THR 40 4.464 -12.447 -5.829 317 HG23 THR 40 HG23 THR 40 4.320 -11.723 -4.224 318 H MET 41 HN MET 41 1.844 -9.449 -3.675 319 HA MET 41 HA MET 41 2.482 -11.354 -1.776 320 HB2 MET 41 HB2 MET 41 0.420 -9.150 -1.555 321 HB3 MET 41 HB1 MET 41 1.192 -9.969 -0.208 322 HG2 MET 41 HG2 MET 41 2.773 -8.474 -2.260 323 HG3 MET 41 HG1 MET 41 2.049 -7.659 -0.878 324 HE1 MET 41 HE1 MET 41 3.942 -9.128 2.138 325 HE2 MET 41 HE2 MET 41 2.380 -9.662 1.521 326 HE3 MET 41 HE3 MET 41 2.774 -7.943 1.555 327 H PHE 42 HN PHE 42 -0.790 -10.444 -2.865 328 HA PHE 42 HA PHE 42 -1.813 -12.902 -1.633 329 HB2 PHE 42 HB2 PHE 42 -3.917 -11.231 -2.645 330 HB3 PHE 42 HB1 PHE 42 -3.564 -11.671 -0.977 331 HD1 PHE 42 HD1 PHE 42 -3.119 -9.145 -3.584 332 HD2 PHE 42 HD2 PHE 42 -2.300 -10.191 0.463 333 HE1 PHE 42 HE1 PHE 42 -2.438 -6.839 -3.122 334 HE2 PHE 42 HE2 PHE 42 -1.621 -7.875 0.924 335 HZ PHE 42 HZ PHE 42 -1.693 -6.207 -0.881 336 H LYS 43 HN LYS 43 -0.578 -12.183 -4.416 337 HA LYS 43 HA LYS 43 -0.610 -13.110 -6.484 338 HB2 LYS 43 HB2 LYS 43 -2.394 -15.194 -5.214 339 HB3 LYS 43 HB1 LYS 43 -1.485 -15.373 -6.707 340 HG2 LYS 43 HG2 LYS 43 -0.019 -16.402 -5.346 341 HG3 LYS 43 HG1 LYS 43 0.519 -14.750 -5.044 342 HD2 LYS 43 HD2 LYS 43 -0.873 -14.642 -3.053 343 HD3 LYS 43 HD1 LYS 43 -1.466 -16.276 -3.362 344 HE2 LYS 43 HE2 LYS 43 1.403 -15.517 -2.823 345 HE3 LYS 43 HE1 LYS 43 0.300 -16.245 -1.657 346 HZ1 LYS 43 HZ1 LYS 43 0.121 -18.180 -3.118 347 HZ2 LYS 43 HZ2 LYS 43 1.720 -17.912 -2.634 348 HZ3 LYS 43 HZ3 LYS 43 1.228 -17.483 -4.192 349 H LEU 44 HN LEU 44 -2.375 -11.039 -6.241 350 HA LEU 44 HA LEU 44 -4.372 -11.792 -8.211 351 HB2 LEU 44 HB2 LEU 44 -6.114 -10.452 -6.984 352 HB3 LEU 44 HB1 LEU 44 -5.714 -12.013 -6.305 353 HG LEU 44 HG LEU 44 -4.097 -10.603 -4.791 354 HD11 LEU 44 HD11 LEU 44 -4.475 -8.474 -5.919 355 HD12 LEU 44 HD12 LEU 44 -5.011 -8.411 -4.240 356 HD13 LEU 44 HD13 LEU 44 -6.195 -8.571 -5.538 357 HD21 LEU 44 HD21 LEU 44 -7.081 -10.706 -4.425 358 HD22 LEU 44 HD22 LEU 44 -5.896 -10.441 -3.145 359 HD23 LEU 44 HD23 LEU 44 -5.930 -11.977 -4.013 360 H THR 45 HN THR 45 -5.691 -9.405 -8.467 361 HA THR 45 HA THR 45 -3.463 -7.665 -9.284 362 HB THR 45 HB THR 45 -6.162 -7.968 -10.609 363 HG1 THR 45 HG1 THR 45 -3.668 -9.221 -10.977 364 HG21 THR 45 HG21 THR 45 -5.113 -6.724 -12.458 365 HG22 THR 45 HG22 THR 45 -3.662 -6.516 -11.479 366 HG23 THR 45 HG23 THR 45 -5.178 -5.768 -10.978 367 H ILE 46 HN ILE 46 -3.359 -5.784 -8.280 368 HA ILE 46 HA ILE 46 -5.595 -4.756 -6.788 369 HB ILE 46 HB ILE 46 -2.795 -3.672 -7.129 370 HG12 ILE 46 HG12 ILE 46 -2.747 -5.767 -5.901 371 HG13 ILE 46 HG11 ILE 46 -2.498 -4.440 -4.770 372 HG21 ILE 46 HG21 ILE 46 -3.287 -2.207 -5.236 373 HG22 ILE 46 HG22 ILE 46 -4.948 -2.794 -5.211 374 HG23 ILE 46 HG23 ILE 46 -4.357 -1.881 -6.600 375 HD11 ILE 46 HD11 ILE 46 -4.859 -4.574 -4.121 376 HD12 ILE 46 HD12 ILE 46 -3.983 -6.073 -3.819 377 HD13 ILE 46 HD13 ILE 46 -5.060 -5.949 -5.207 378 H GLY 47 HN GLY 47 -4.102 -4.358 -9.750 379 HA2 GLY 47 HA2 GLY 47 -5.019 -3.273 -11.626 380 HA3 GLY 47 HA1 GLY 47 -6.070 -2.369 -10.550 381 H GLU 48 HN GLU 48 -5.422 -0.638 -12.000 382 HA GLU 48 HA GLU 48 -2.755 0.469 -11.574 383 HB2 GLU 48 HB2 GLU 48 -5.061 1.644 -13.130 384 HB3 GLU 48 HB1 GLU 48 -3.371 2.106 -13.222 385 HG2 GLU 48 HG2 GLU 48 -2.793 0.051 -14.284 386 HG3 GLU 48 HG1 GLU 48 -4.417 -0.590 -14.033 387 H TYR 49 HN TYR 49 -2.527 2.720 -10.841 388 HA TYR 49 HA TYR 49 -4.421 3.444 -8.788 389 HB2 TYR 49 HB2 TYR 49 -1.945 3.880 -8.563 390 HB3 TYR 49 HB1 TYR 49 -2.102 5.099 -9.823 391 HD1 TYR 49 HD2 TYR 49 -3.265 4.184 -6.427 392 HD2 TYR 49 HD1 TYR 49 -2.818 7.293 -9.288 393 HE1 TYR 49 HE2 TYR 49 -3.909 5.833 -4.705 394 HE2 TYR 49 HE1 TYR 49 -3.445 8.956 -7.589 395 HH TYR 49 HH TYR 49 -3.525 8.321 -4.312 396 H SER 50 HN SER 50 -6.194 3.473 -10.297 397 HA SER 50 HA SER 50 -6.605 5.097 -12.445 398 HB2 SER 50 HB2 SER 50 -8.607 4.590 -10.268 399 HB3 SER 50 HB1 SER 50 -8.954 4.921 -11.956 400 HG SER 50 HG SER 50 -7.932 2.954 -12.485 401 H GLU 51 HN GLU 51 -6.835 7.228 -12.800 402 HA GLU 51 HA GLU 51 -5.944 8.992 -10.771 403 HB2 GLU 51 HB2 GLU 51 -7.143 9.617 -13.471 404 HB3 GLU 51 HB1 GLU 51 -6.239 10.738 -12.460 405 HG2 GLU 51 HG2 GLU 51 -4.242 9.423 -12.705 406 HG3 GLU 51 HG1 GLU 51 -5.126 8.179 -13.586 407 H ARG 52 HN ARG 52 -9.038 7.853 -11.669 408 HA ARG 52 HA ARG 52 -10.496 10.129 -10.820 409 HB2 ARG 52 HB2 ARG 52 -12.484 8.642 -10.971 410 HB3 ARG 52 HB1 ARG 52 -11.514 8.723 -12.432 411 HG2 ARG 52 HG2 ARG 52 -11.760 6.499 -12.404 412 HG3 ARG 52 HG1 ARG 52 -10.414 6.581 -11.267 413 HD2 ARG 52 HD2 ARG 52 -11.889 6.436 -9.389 414 HD3 ARG 52 HD1 ARG 52 -13.307 6.605 -10.432 415 HE ARG 52 HE ARG 52 -11.643 4.332 -11.061 416 HH11 ARG 52 HH11 ARG 52 -14.353 5.461 -9.143 417 HH12 ARG 52 HH12 ARG 52 -15.055 3.883 -8.993 418 HH21 ARG 52 HH21 ARG 52 -12.586 2.263 -10.862 419 HH22 ARG 52 HH22 ARG 52 -14.058 2.072 -9.959 420 H GLU 53 HN GLU 53 -10.006 6.928 -9.227 421 HA GLU 53 HA GLU 53 -10.507 8.378 -6.729 422 HB2 GLU 53 HB2 GLU 53 -11.338 5.594 -7.451 423 HB3 GLU 53 HB1 GLU 53 -11.208 6.119 -5.778 424 HG2 GLU 53 HG2 GLU 53 -12.811 7.899 -6.214 425 HG3 GLU 53 HG1 GLU 53 -12.964 7.341 -7.877 426 H GLY 54 HN GLY 54 -8.530 6.126 -8.400 427 HA2 GLY 54 HA2 GLY 54 -6.674 4.897 -7.896 428 HA3 GLY 54 HA1 GLY 54 -6.211 6.327 -7.003 429 H TYR 55 HN TYR 55 -9.003 4.813 -5.712 430 HA TYR 55 HA TYR 55 -7.280 3.380 -3.806 431 HB2 TYR 55 HB2 TYR 55 -9.840 4.806 -3.057 432 HB3 TYR 55 HB1 TYR 55 -8.690 4.035 -1.975 433 HD1 TYR 55 HD2 TYR 55 -6.117 5.124 -3.117 434 HD2 TYR 55 HD1 TYR 55 -9.865 6.983 -2.330 435 HE1 TYR 55 HE2 TYR 55 -4.984 7.287 -2.827 436 HE2 TYR 55 HE1 TYR 55 -8.750 9.141 -2.049 437 HH TYR 55 HH TYR 55 -5.337 9.571 -2.768 438 H LYS 56 HN LYS 56 -9.204 2.804 -6.216 439 HA LYS 56 HA LYS 56 -11.294 1.222 -5.242 440 HB2 LYS 56 HB2 LYS 56 -10.440 0.097 -7.701 441 HB3 LYS 56 HB1 LYS 56 -11.826 1.126 -7.403 442 HG2 LYS 56 HG2 LYS 56 -10.683 2.214 -9.095 443 HG3 LYS 56 HG1 LYS 56 -10.176 3.076 -7.647 444 HD2 LYS 56 HD2 LYS 56 -8.202 2.773 -8.860 445 HD3 LYS 56 HD1 LYS 56 -8.152 1.500 -7.640 446 HE2 LYS 56 HE2 LYS 56 -9.052 1.145 -10.501 447 HE3 LYS 56 HE1 LYS 56 -7.451 0.746 -9.895 448 HZ1 LYS 56 HZ1 LYS 56 -10.024 -0.555 -9.194 449 HZ2 LYS 56 HZ2 LYS 56 -8.583 -0.837 -8.353 450 HZ3 LYS 56 HZ3 LYS 56 -8.697 -1.238 -9.987 451 H GLY 57 HN GLY 57 -8.085 0.241 -6.389 452 HA2 GLY 57 HA2 GLY 57 -6.747 -1.531 -5.869 453 HA3 GLY 57 HA1 GLY 57 -7.643 -1.626 -4.367 454 H SER 58 HN SER 58 -9.811 -2.041 -6.870 455 HA SER 58 HA SER 58 -10.940 -3.809 -7.713 456 HB2 SER 58 HB2 SER 58 -8.771 -4.520 -8.671 457 HB3 SER 58 HB1 SER 58 -8.419 -5.404 -7.188 458 HG SER 58 HG SER 58 -9.277 -6.788 -8.761 459 H GLU 59 HN GLU 59 -9.099 -5.894 -5.536 460 HA GLU 59 HA GLU 59 -11.459 -5.976 -3.782 461 HB2 GLU 59 HB2 GLU 59 -11.003 -8.095 -5.057 462 HB3 GLU 59 HB1 GLU 59 -9.485 -8.224 -4.177 463 HG2 GLU 59 HG2 GLU 59 -10.672 -8.364 -2.080 464 HG3 GLU 59 HG1 GLU 59 -12.207 -8.124 -2.903 465 H TYR 60 HN TYR 60 -8.307 -4.960 -3.999 466 HA TYR 60 HA TYR 60 -8.106 -4.827 -1.086 467 HB2 TYR 60 HB2 TYR 60 -6.041 -6.042 -2.915 468 HB3 TYR 60 HB1 TYR 60 -5.609 -5.394 -1.341 469 HD1 TYR 60 HD1 TYR 60 -6.449 -6.458 0.693 470 HD2 TYR 60 HD2 TYR 60 -7.232 -8.131 -3.127 471 HE1 TYR 60 HE1 TYR 60 -7.120 -8.547 1.770 472 HE2 TYR 60 HE2 TYR 60 -7.903 -10.244 -2.070 473 HH TYR 60 HH TYR 60 -7.444 -11.445 0.118 474 H ALA 61 HN ALA 61 -7.694 -2.783 -0.529 475 HA ALA 61 HA ALA 61 -6.215 -1.103 -2.431 476 HB1 ALA 61 HB1 ALA 61 -8.412 -0.241 -1.699 477 HB2 ALA 61 HB2 ALA 61 -7.075 0.824 -1.259 478 HB3 ALA 61 HB3 ALA 61 -7.818 -0.216 -0.039 479 HA PRO 62 HA PRO 62 -2.861 -1.826 0.514 480 HB2 PRO 62 HB2 PRO 62 -0.938 -0.835 -1.138 481 HB3 PRO 62 HB1 PRO 62 -1.534 -2.494 -1.249 482 HG2 PRO 62 HG2 PRO 62 -2.294 -0.098 -2.879 483 HG3 PRO 62 HG1 PRO 62 -1.969 -1.755 -3.418 484 HD2 PRO 62 HD2 PRO 62 -4.468 -0.817 -3.122 485 HD3 PRO 62 HD1 PRO 62 -4.051 -2.514 -2.779 486 H THR 63 HN THR 63 -2.627 -0.398 2.090 487 HA THR 63 HA THR 63 -2.416 2.439 1.380 488 HB THR 63 HB THR 63 -3.789 3.011 3.360 489 HG1 THR 63 HG1 THR 63 -3.902 0.194 3.562 490 HG21 THR 63 HG21 THR 63 -4.903 2.986 1.226 491 HG22 THR 63 HG22 THR 63 -5.988 2.270 2.422 492 HG23 THR 63 HG23 THR 63 -5.108 1.232 1.295 493 H TYR 64 HN TYR 64 -1.592 3.737 3.234 494 HA TYR 64 HA TYR 64 0.271 2.232 4.930 495 HB2 TYR 64 HB2 TYR 64 2.130 3.531 4.282 496 HB3 TYR 64 HB1 TYR 64 1.327 3.160 2.757 497 HD1 TYR 64 HD1 TYR 64 -0.606 4.978 2.192 498 HD2 TYR 64 HD2 TYR 64 2.879 5.683 4.509 499 HE1 TYR 64 HE1 TYR 64 -0.792 7.366 1.717 500 HE2 TYR 64 HE2 TYR 64 2.722 8.085 4.040 501 HH TYR 64 HH TYR 64 1.753 9.573 2.409 502 H GLU 65 HN GLU 65 1.174 3.683 6.660 503 HA GLU 65 HA GLU 65 -0.941 5.541 7.514 504 HB2 GLU 65 HB2 GLU 65 -0.419 3.586 8.998 505 HB3 GLU 65 HB1 GLU 65 1.196 4.267 9.232 506 HG2 GLU 65 HG2 GLU 65 0.153 6.311 10.147 507 HG3 GLU 65 HG1 GLU 65 -1.422 5.535 10.006 508 H ASP 66 HN ASP 66 -0.530 7.617 7.360 509 HA ASP 66 HA ASP 66 2.180 8.608 7.069 510 HB2 ASP 66 HB2 ASP 66 0.238 9.509 5.742 511 HB3 ASP 66 HB1 ASP 66 -0.422 10.159 7.236 512 H LYS 67 HN LYS 67 2.095 11.057 8.456 513 HA LYS 67 HA LYS 67 2.910 10.160 11.033 514 HB2 LYS 67 HB2 LYS 67 2.250 13.036 10.475 515 HB3 LYS 67 HB1 LYS 67 3.539 12.371 11.466 516 HG2 LYS 67 HG2 LYS 67 3.418 12.333 8.463 517 HG3 LYS 67 HG1 LYS 67 4.408 13.404 9.451 518 HD2 LYS 67 HD2 LYS 67 5.875 11.737 10.030 519 HD3 LYS 67 HD1 LYS 67 4.669 10.461 9.826 520 HE2 LYS 67 HE2 LYS 67 5.939 12.043 7.597 521 HE3 LYS 67 HE1 LYS 67 6.380 10.399 8.065 522 HZ1 LYS 67 HZ1 LYS 67 4.833 10.517 6.156 523 HZ2 LYS 67 HZ2 LYS 67 3.659 11.199 7.171 524 HZ3 LYS 67 HZ3 LYS 67 4.222 9.628 7.460 525 H ASP 68 HN ASP 68 0.062 11.591 9.691 526 HA ASP 68 HA ASP 68 -1.209 12.258 12.162 527 HB2 ASP 68 HB2 ASP 68 -1.783 13.392 10.063 528 HB3 ASP 68 HB1 ASP 68 -2.387 11.878 9.399 529 H GLY 69 HN GLY 69 -0.760 9.339 10.483 530 HA2 GLY 69 HA2 GLY 69 -1.423 7.215 11.236 531 HA3 GLY 69 HA1 GLY 69 -2.650 7.977 12.239 532 H ASP 70 HN ASP 70 -2.564 9.208 9.104 533 HA ASP 70 HA ASP 70 -5.128 7.986 8.523 534 HB2 ASP 70 HB2 ASP 70 -4.529 10.469 8.194 535 HB3 ASP 70 HB1 ASP 70 -3.657 9.937 6.759 536 H TRP 71 HN TRP 71 -5.577 6.728 6.715 537 HA TRP 71 HA TRP 71 -3.201 5.460 5.514 538 HB2 TRP 71 HB2 TRP 71 -5.950 4.262 5.943 539 HB3 TRP 71 HB1 TRP 71 -4.550 3.430 5.284 540 HD1 TRP 71 HD1 TRP 71 -5.900 4.832 8.597 541 HE1 TRP 71 HE1 TRP 71 -4.695 3.643 10.535 542 HE3 TRP 71 HE3 TRP 71 -2.469 2.170 5.906 543 HZ2 TRP 71 HZ2 TRP 71 -2.570 1.823 10.873 544 HZ3 TRP 71 HZ3 TRP 71 -0.885 0.730 7.114 545 HH2 TRP 71 HH2 TRP 71 -0.935 0.561 9.547 546 H MET 72 HN MET 72 -2.907 6.062 3.501 547 HA MET 72 HA MET 72 -5.249 6.191 1.709 548 HB2 MET 72 HB2 MET 72 -2.646 7.706 1.450 549 HB3 MET 72 HB1 MET 72 -3.971 7.756 0.301 550 HG2 MET 72 HG2 MET 72 -5.394 8.807 1.944 551 HG3 MET 72 HG1 MET 72 -4.119 8.686 3.157 552 HE1 MET 72 HE1 MET 72 -1.568 9.304 1.218 553 HE2 MET 72 HE2 MET 72 -1.740 9.886 2.876 554 HE3 MET 72 HE3 MET 72 -1.365 11.020 1.578 555 H LEU 73 HN LEU 73 -4.694 5.542 -0.560 556 HA LEU 73 HA LEU 73 -3.336 3.049 -0.472 557 HB2 LEU 73 HB2 LEU 73 -5.368 3.561 -1.846 558 HB3 LEU 73 HB1 LEU 73 -4.358 4.571 -2.860 559 HG LEU 73 HG LEU 73 -3.619 1.695 -2.523 560 HD11 LEU 73 HD11 LEU 73 -5.625 2.699 -4.549 561 HD12 LEU 73 HD12 LEU 73 -6.062 1.790 -3.094 562 HD13 LEU 73 HD13 LEU 73 -5.053 1.041 -4.329 563 HD21 LEU 73 HD21 LEU 73 -3.361 3.813 -4.620 564 HD22 LEU 73 HD22 LEU 73 -2.923 2.124 -4.898 565 HD23 LEU 73 HD23 LEU 73 -2.074 3.073 -3.672 566 H VAL 74 HN VAL 74 -1.424 2.476 -1.433 567 HA VAL 74 HA VAL 74 0.589 4.447 -1.234 568 HB VAL 74 HB VAL 74 2.148 2.652 -1.992 569 HG11 VAL 74 HG11 VAL 74 1.620 3.047 0.347 570 HG12 VAL 74 HG12 VAL 74 1.873 1.328 0.039 571 HG13 VAL 74 HG13 VAL 74 0.237 1.959 0.229 572 HG21 VAL 74 HG21 VAL 74 -0.368 0.980 -2.041 573 HG22 VAL 74 HG22 VAL 74 1.278 0.366 -2.177 574 HG23 VAL 74 HG23 VAL 74 0.619 1.406 -3.439 575 H GLY 75 HN GLY 75 1.600 5.635 -2.659 576 HA2 GLY 75 HA2 GLY 75 2.383 6.049 -4.918 577 HA3 GLY 75 HA1 GLY 75 0.931 5.246 -5.500 578 H ASP 76 HN ASP 76 0.163 7.085 -2.836 579 HA ASP 76 HA ASP 76 -1.304 8.964 -4.396 580 HB2 ASP 76 HB2 ASP 76 -2.066 8.169 -2.175 581 HB3 ASP 76 HB1 ASP 76 -0.742 9.059 -1.426 582 H VAL 77 HN VAL 77 1.417 9.465 -2.117 583 HA VAL 77 HA VAL 77 1.867 12.075 -3.364 584 HB VAL 77 HB VAL 77 3.230 12.658 -1.469 585 HG11 VAL 77 HG11 VAL 77 0.835 12.882 -1.160 586 HG12 VAL 77 HG12 VAL 77 1.620 12.457 0.361 587 HG13 VAL 77 HG13 VAL 77 0.743 11.229 -0.551 588 HG21 VAL 77 HG21 VAL 77 3.771 11.169 0.332 589 HG22 VAL 77 HG22 VAL 77 4.321 10.449 -1.183 590 HG23 VAL 77 HG23 VAL 77 2.846 9.866 -0.411 591 HA PRO 78 HA PRO 78 5.314 11.134 -5.862 592 HB2 PRO 78 HB2 PRO 78 7.286 12.779 -4.684 593 HB3 PRO 78 HB1 PRO 78 6.228 13.184 -6.038 594 HG2 PRO 78 HG2 PRO 78 5.950 13.838 -3.152 595 HG3 PRO 78 HG1 PRO 78 5.456 14.775 -4.574 596 HD2 PRO 78 HD2 PRO 78 3.650 13.495 -3.086 597 HD3 PRO 78 HD1 PRO 78 3.498 13.546 -4.854 598 H TRP 79 HN TRP 79 6.714 9.557 -5.968 599 HA TRP 79 HA TRP 79 7.018 7.679 -4.072 600 HB2 TRP 79 HB2 TRP 79 7.546 7.356 -6.440 601 HB3 TRP 79 HB1 TRP 79 9.015 8.308 -6.244 602 HD1 TRP 79 HD1 TRP 79 11.127 6.900 -5.845 603 HE1 TRP 79 HE1 TRP 79 11.620 4.540 -4.941 604 HE3 TRP 79 HE3 TRP 79 6.377 5.528 -4.607 605 HZ2 TRP 79 HZ2 TRP 79 10.156 2.368 -3.845 606 HZ3 TRP 79 HZ3 TRP 79 6.003 3.318 -3.653 607 HH2 TRP 79 HH2 TRP 79 7.845 1.760 -3.269 608 H ASP 80 HN ASP 80 9.514 10.115 -4.789 609 HA ASP 80 HA ASP 80 11.526 9.134 -3.175 610 HB2 ASP 80 HB2 ASP 80 11.881 10.935 -4.782 611 HB3 ASP 80 HB1 ASP 80 10.897 12.023 -3.810 612 H MET 81 HN MET 81 8.893 11.320 -2.287 613 HA MET 81 HA MET 81 9.836 11.531 0.428 614 HB2 MET 81 HB2 MET 81 8.783 13.464 -0.559 615 HB3 MET 81 HB1 MET 81 7.348 12.532 -0.959 616 HG2 MET 81 HG2 MET 81 6.892 12.223 1.407 617 HG3 MET 81 HG1 MET 81 8.317 13.176 1.814 618 HE1 MET 81 HE1 MET 81 5.689 13.770 -1.080 619 HE2 MET 81 HE2 MET 81 4.552 14.847 -0.270 620 HE3 MET 81 HE3 MET 81 4.729 13.181 0.277 621 H PHE 82 HN PHE 82 7.534 9.659 -1.395 622 HA PHE 82 HA PHE 82 5.737 8.953 0.624 623 HB2 PHE 82 HB2 PHE 82 5.578 8.522 -1.921 624 HB3 PHE 82 HB1 PHE 82 6.493 7.053 -1.589 625 HD1 PHE 82 HD1 PHE 82 5.519 5.484 0.263 626 HD2 PHE 82 HD2 PHE 82 3.299 8.507 -1.756 627 HE1 PHE 82 HE1 PHE 82 3.406 4.396 0.933 628 HE2 PHE 82 HE2 PHE 82 1.199 7.429 -1.091 629 HZ PHE 82 HZ PHE 82 1.241 5.391 0.267 630 H VAL 83 HN VAL 83 8.735 7.378 -0.403 631 HA VAL 83 HA VAL 83 8.316 4.959 0.945 632 HB VAL 83 HB VAL 83 11.075 6.065 0.535 633 HG11 VAL 83 HG11 VAL 83 10.948 3.930 1.599 634 HG12 VAL 83 HG12 VAL 83 11.517 3.693 -0.055 635 HG13 VAL 83 HG13 VAL 83 9.839 3.332 0.365 636 HG21 VAL 83 HG21 VAL 83 11.001 5.259 -1.788 637 HG22 VAL 83 HG22 VAL 83 9.898 6.606 -1.511 638 HG23 VAL 83 HG23 VAL 83 9.271 4.961 -1.614 639 H THR 84 HN THR 84 10.139 7.832 1.927 640 HA THR 84 HA THR 84 10.857 6.693 4.461 641 HB THR 84 HB THR 84 11.735 9.024 4.897 642 HG1 THR 84 HG1 THR 84 10.495 10.287 3.550 643 HG21 THR 84 HG21 THR 84 13.154 7.243 3.990 644 HG22 THR 84 HG22 THR 84 13.584 8.808 3.300 645 HG23 THR 84 HG23 THR 84 12.636 7.656 2.355 646 H SER 85 HN SER 85 8.108 8.233 3.255 647 HA SER 85 HA SER 85 7.392 9.602 5.702 648 HB2 SER 85 HB2 SER 85 6.900 10.500 3.398 649 HB3 SER 85 HB1 SER 85 5.721 9.204 3.212 650 HG SER 85 HG SER 85 5.058 11.414 4.054 651 H CYS 86 HN CYS 86 6.786 6.550 4.176 652 HA CYS 86 HA CYS 86 4.384 5.994 5.656 653 HB2 CYS 86 HB2 CYS 86 4.687 4.973 3.465 654 HB3 CYS 86 HB1 CYS 86 6.169 4.196 4.009 655 HG CYS 86 HG CYS 86 4.432 2.135 3.935 656 H LYS 87 HN LYS 87 4.200 5.092 7.604 657 HA LYS 87 HA LYS 87 6.639 3.947 8.792 658 HB2 LYS 87 HB2 LYS 87 5.754 4.673 10.979 659 HB3 LYS 87 HB1 LYS 87 5.966 6.016 9.874 660 HG2 LYS 87 HG2 LYS 87 3.516 5.843 9.361 661 HG3 LYS 87 HG1 LYS 87 3.398 4.703 10.703 662 HD2 LYS 87 HD2 LYS 87 4.576 7.445 10.975 663 HD3 LYS 87 HD1 LYS 87 2.864 7.118 11.245 664 HE2 LYS 87 HE2 LYS 87 5.195 5.913 12.740 665 HE3 LYS 87 HE1 LYS 87 4.099 7.150 13.348 666 HZ1 LYS 87 HZ1 LYS 87 2.278 5.456 12.965 667 HZ2 LYS 87 HZ2 LYS 87 3.344 5.146 14.243 668 HZ3 LYS 87 HZ3 LYS 87 3.512 4.309 12.786 669 H ARG 88 HN ARG 88 3.298 3.390 8.078 670 HA ARG 88 HA ARG 88 3.638 0.618 8.938 671 HB2 ARG 88 HB2 ARG 88 1.158 2.239 9.538 672 HB3 ARG 88 HB1 ARG 88 1.375 0.527 9.867 673 HG2 ARG 88 HG2 ARG 88 3.185 1.078 11.422 674 HG3 ARG 88 HG1 ARG 88 2.896 2.793 11.117 675 HD2 ARG 88 HD2 ARG 88 1.795 2.113 13.169 676 HD3 ARG 88 HD1 ARG 88 0.596 2.533 11.947 677 HE ARG 88 HE ARG 88 1.325 -0.282 12.312 678 HH11 ARG 88 HH11 ARG 88 -1.059 2.285 12.551 679 HH12 ARG 88 HH12 ARG 88 -2.370 1.193 12.896 680 HH21 ARG 88 HH21 ARG 88 -0.412 -1.705 12.757 681 HH22 ARG 88 HH22 ARG 88 -2.006 -1.063 12.998 682 H LEU 89 HN LEU 89 2.198 -0.858 7.849 683 HA LEU 89 HA LEU 89 1.155 0.242 5.322 684 HB2 LEU 89 HB2 LEU 89 3.452 -1.067 5.376 685 HB3 LEU 89 HB1 LEU 89 2.411 -2.478 5.416 686 HG LEU 89 HG LEU 89 1.349 -1.638 3.316 687 HD11 LEU 89 HD11 LEU 89 1.909 0.707 3.478 688 HD12 LEU 89 HD12 LEU 89 2.570 0.024 1.993 689 HD13 LEU 89 HD13 LEU 89 3.625 0.320 3.373 690 HD21 LEU 89 HD21 LEU 89 3.086 -3.380 3.326 691 HD22 LEU 89 HD22 LEU 89 4.313 -2.122 3.166 692 HD23 LEU 89 HD23 LEU 89 3.143 -2.381 1.873 693 H ARG 90 HN ARG 90 -0.885 -0.441 4.814 694 HA ARG 90 HA ARG 90 -1.734 -3.016 5.915 695 HB2 ARG 90 HB2 ARG 90 -2.601 -0.938 7.260 696 HB3 ARG 90 HB1 ARG 90 -3.726 -0.784 5.914 697 HG2 ARG 90 HG2 ARG 90 -4.130 -3.332 6.363 698 HG3 ARG 90 HG1 ARG 90 -3.499 -2.934 7.960 699 HD2 ARG 90 HD2 ARG 90 -5.907 -1.773 6.584 700 HD3 ARG 90 HD1 ARG 90 -5.872 -2.761 8.040 701 HE ARG 90 HE ARG 90 -4.512 -0.183 8.135 702 HH11 ARG 90 HH11 ARG 90 -7.264 -2.166 9.024 703 HH12 ARG 90 HH12 ARG 90 -7.863 -1.025 10.195 704 HH21 ARG 90 HH21 ARG 90 -5.311 1.321 9.680 705 HH22 ARG 90 HH22 ARG 90 -6.753 0.951 10.566 706 H ILE 91 HN ILE 91 -2.240 -4.226 4.231 707 HA ILE 91 HA ILE 91 -3.904 -2.996 2.129 708 HB ILE 91 HB ILE 91 -2.575 -5.632 1.713 709 HG12 ILE 91 HG12 ILE 91 -1.259 -2.977 1.080 710 HG13 ILE 91 HG11 ILE 91 -0.777 -4.027 2.406 711 HG21 ILE 91 HG21 ILE 91 -3.728 -3.463 0.014 712 HG22 ILE 91 HG22 ILE 91 -4.117 -5.182 0.048 713 HG23 ILE 91 HG23 ILE 91 -2.609 -4.631 -0.677 714 HD11 ILE 91 HD11 ILE 91 -0.588 -4.596 -0.536 715 HD12 ILE 91 HD12 ILE 91 -0.293 -5.800 0.719 716 HD13 ILE 91 HD13 ILE 91 0.734 -4.367 0.607 717 H MET 92 HN MET 92 -5.873 -3.953 1.801 718 HA MET 92 HA MET 92 -6.588 -6.345 3.205 719 HB2 MET 92 HB2 MET 92 -8.279 -5.172 4.653 720 HB3 MET 92 HB1 MET 92 -6.587 -4.987 5.106 721 HG2 MET 92 HG2 MET 92 -6.515 -2.781 4.163 722 HG3 MET 92 HG1 MET 92 -8.128 -2.980 3.483 723 HE1 MET 92 HE1 MET 92 -6.997 -0.537 5.324 724 HE2 MET 92 HE2 MET 92 -8.429 -0.212 6.301 725 HE3 MET 92 HE3 MET 92 -8.594 -0.537 4.577 726 H LYS 93 HN LYS 93 -8.827 -6.865 3.071 727 HA LYS 93 HA LYS 93 -9.783 -6.794 0.501 728 HB2 LYS 93 HB2 LYS 93 -11.272 -7.283 3.087 729 HB3 LYS 93 HB1 LYS 93 -11.832 -7.744 1.486 730 HG2 LYS 93 HG2 LYS 93 -9.631 -9.054 1.328 731 HG3 LYS 93 HG1 LYS 93 -9.553 -8.839 3.075 732 HD2 LYS 93 HD2 LYS 93 -10.597 -10.895 2.858 733 HD3 LYS 93 HD1 LYS 93 -11.962 -9.790 3.051 734 HE2 LYS 93 HE2 LYS 93 -12.501 -11.263 1.261 735 HE3 LYS 93 HE1 LYS 93 -12.114 -9.698 0.548 736 HZ1 LYS 93 HZ1 LYS 93 -10.959 -11.185 -0.778 737 HZ2 LYS 93 HZ2 LYS 93 -10.532 -12.184 0.521 738 HZ3 LYS 93 HZ3 LYS 93 -9.761 -10.691 0.319 739 H GLY 94 HN GLY 94 -11.291 -5.706 -0.577 740 HA2 GLY 94 HA2 GLY 94 -11.586 -2.976 -0.177 741 HA3 GLY 94 HA1 GLY 94 -12.562 -3.951 -1.257 742 H THR 95 HN THR 95 -13.534 -5.589 0.938 743 HA THR 95 HA THR 95 -15.889 -4.223 1.614 744 HB THR 95 HB THR 95 -16.229 -6.014 3.309 745 HG1 THR 95 HG1 THR 95 -14.217 -6.480 4.060 746 HG21 THR 95 HG21 THR 95 -16.268 -7.894 1.731 747 HG22 THR 95 HG22 THR 95 -15.232 -6.989 0.630 748 HG23 THR 95 HG23 THR 95 -16.861 -6.412 0.982 749 H GLU 96 HN GLU 96 -12.771 -4.245 3.045 750 HA GLU 96 HA GLU 96 -13.703 -2.920 5.490 751 HB2 GLU 96 HB2 GLU 96 -10.883 -3.806 4.888 752 HB3 GLU 96 HB1 GLU 96 -11.602 -3.473 6.457 753 HG2 GLU 96 HG2 GLU 96 -12.266 -5.795 4.659 754 HG3 GLU 96 HG1 GLU 96 -11.274 -5.857 6.114 755 H ALA 97 HN ALA 97 -11.327 -2.641 2.892 756 HA ALA 97 HA ALA 97 -10.250 -0.155 3.653 757 HB1 ALA 97 HB1 ALA 97 -9.205 -0.128 1.471 758 HB2 ALA 97 HB2 ALA 97 -10.294 -1.397 0.912 759 HB3 ALA 97 HB3 ALA 97 -9.113 -1.741 2.173 760 H LYS 98 HN LYS 98 -13.171 -0.896 2.065 761 HA LYS 98 HA LYS 98 -13.533 1.211 0.323 762 HB2 LYS 98 HB2 LYS 98 -15.922 0.798 0.555 763 HB3 LYS 98 HB1 LYS 98 -15.021 -0.702 0.439 764 HG2 LYS 98 HG2 LYS 98 -15.146 -0.878 2.925 765 HG3 LYS 98 HG1 LYS 98 -16.223 0.520 2.910 766 HD2 LYS 98 HD2 LYS 98 -16.695 -2.117 1.526 767 HD3 LYS 98 HD1 LYS 98 -17.495 -1.552 2.993 768 HE2 LYS 98 HE2 LYS 98 -17.692 -0.315 0.244 769 HE3 LYS 98 HE1 LYS 98 -18.950 -1.222 1.081 770 HZ1 LYS 98 HZ1 LYS 98 -17.823 1.389 1.942 771 HZ2 LYS 98 HZ2 LYS 98 -18.999 0.512 2.781 772 HZ3 LYS 98 HZ3 LYS 98 -19.344 1.140 1.250 773 H GLY 99 HN GLY 99 -13.864 1.239 3.820 774 HA2 GLY 99 HA2 GLY 99 -15.310 3.656 3.992 775 HA3 GLY 99 HA1 GLY 99 -14.368 2.929 5.281 776 H LEU 100 HN LEU 100 -11.868 2.949 3.870 777 HA LEU 100 HA LEU 100 -11.282 5.815 4.168 778 HB2 LEU 100 HB2 LEU 100 -8.947 5.031 4.663 779 HB3 LEU 100 HB1 LEU 100 -10.168 4.622 5.848 780 HG LEU 100 HG LEU 100 -9.556 2.578 3.779 781 HD11 LEU 100 HD11 LEU 100 -7.339 3.382 4.426 782 HD12 LEU 100 HD12 LEU 100 -7.644 1.765 5.060 783 HD13 LEU 100 HD13 LEU 100 -7.754 3.166 6.125 784 HD21 LEU 100 HD21 LEU 100 -10.046 2.425 6.756 785 HD22 LEU 100 HD22 LEU 100 -9.974 1.068 5.631 786 HD23 LEU 100 HD23 LEU 100 -11.284 2.240 5.516 787 H GLY 101 HN GLY 101 -11.802 3.816 1.716 788 HA2 GLY 101 HA2 GLY 101 -10.186 5.374 -0.068 789 HA3 GLY 101 HA1 GLY 101 -9.597 3.731 0.107 790 H CYS 102 HN CYS 102 -11.222 1.998 -0.333 791 HA CYS 102 HA CYS 102 -11.952 2.240 -3.004 792 HB2 CYS 102 HB2 CYS 102 -11.384 0.092 -2.027 793 HB3 CYS 102 HB1 CYS 102 -12.789 0.158 -0.975 794 HG CYS 102 HG CYS 102 -14.317 0.397 -3.627 795 H GLY 103 HN GLY 103 -13.337 3.779 -3.511 796 HA2 GLY 103 HA2 GLY 103 -15.605 4.151 -4.118 797 HA3 GLY 103 HA1 GLY 103 -16.098 3.457 -2.581 798 H VAL 104 HN VAL 104 -14.030 6.023 -3.818 799 HA VAL 104 HA VAL 104 -13.300 7.947 -2.781 800 HB VAL 104 HB VAL 104 -15.198 9.649 -2.707 801 HG11 VAL 104 HG11 VAL 104 -14.709 8.071 -5.228 802 HG12 VAL 104 HG12 VAL 104 -13.693 9.368 -4.599 803 HG13 VAL 104 HG13 VAL 104 -15.331 9.719 -5.149 804 HG21 VAL 104 HG21 VAL 104 -17.046 8.075 -2.334 805 HG22 VAL 104 HG22 VAL 104 -16.732 7.340 -3.906 806 HG23 VAL 104 HG23 VAL 104 -17.279 9.014 -3.808 807 H GLY 105 HN GLY 105 -12.923 6.588 -0.758 808 HA2 GLY 105 HA2 GLY 105 -14.659 7.543 1.436 809 HA3 GLY 105 HA1 GLY 105 -13.760 6.033 1.469 810 H SER 106 HN SER 106 -11.700 8.034 0.048 811 HA SER 106 HA SER 106 -10.315 8.560 2.561 812 HB2 SER 106 HB2 SER 106 -9.181 7.323 0.682 813 HB3 SER 106 HB1 SER 106 -9.273 8.801 -0.269 814 HG SER 106 HG SER 106 -7.849 8.370 2.145 815 H HIS 107 HN HIS 107 -8.699 10.652 1.808 816 HA HIS 107 HA HIS 107 -10.541 12.842 2.152 817 HB2 HIS 107 HB2 HIS 107 -7.522 12.810 1.999 818 HB3 HIS 107 HB1 HIS 107 -8.490 14.231 2.368 819 HD1 HIS 107 HD1 HIS 107 -8.579 14.692 4.786 820 HD2 HIS 107 HD2 HIS 107 -8.231 10.633 4.000 821 HE1 HIS 107 HE1 HIS 107 -8.442 13.579 7.037 822 HE2 HIS 107 HE2 HIS 107 -7.952 11.157 6.515 Start of MODEL 7 1 H1 HIS 1 HT1 HIS 1 28.374 -3.847 1.690 2 H2 HIS 1 HT2 HIS 1 29.109 -2.466 1.053 3 H3 HIS 1 HT3 HIS 1 28.377 -3.586 0.022 4 HA HIS 1 HA HIS 1 26.223 -3.095 0.937 5 HB2 HIS 1 HB2 HIS 1 27.785 -1.144 2.636 6 HB3 HIS 1 HB1 HIS 1 26.043 -1.042 2.411 7 HD1 HIS 1 HD1 HIS 1 24.588 -2.944 3.509 8 HD2 HIS 1 HD2 HIS 1 28.646 -3.062 4.438 9 HE1 HIS 1 HE1 HIS 1 24.796 -4.484 5.491 10 HE2 HIS 1 HE2 HIS 1 27.230 -4.389 6.140 11 H GLU 2 HN GLU 2 26.788 -2.767 -1.422 12 HA GLU 2 HA GLU 2 26.995 0.066 -2.133 13 HB2 GLU 2 HB2 GLU 2 27.063 -2.394 -3.896 14 HB3 GLU 2 HB1 GLU 2 27.334 -0.741 -4.427 15 HG2 GLU 2 HG2 GLU 2 29.308 -0.627 -2.955 16 HG3 GLU 2 HG1 GLU 2 29.054 -2.318 -2.530 17 H ALA 3 HN ALA 3 25.027 0.931 -1.822 18 HA ALA 3 HA ALA 3 22.819 1.386 -2.033 19 HB1 ALA 3 HB1 ALA 3 23.286 1.384 -4.429 20 HB2 ALA 3 HB2 ALA 3 21.678 0.742 -4.097 21 HB3 ALA 3 HB3 ALA 3 23.000 -0.355 -4.491 22 H ASP 4 HN ASP 4 22.554 0.214 -0.074 23 HA ASP 4 HA ASP 4 22.074 -2.526 0.137 24 HB2 ASP 4 HB2 ASP 4 21.392 -0.185 1.881 25 HB3 ASP 4 HB1 ASP 4 20.788 -1.788 2.283 26 H VAL 5 HN VAL 5 20.496 -3.731 -0.564 27 HA VAL 5 HA VAL 5 18.009 -2.630 -1.467 28 HB VAL 5 HB VAL 5 18.853 -4.487 -2.712 29 HG11 VAL 5 HG11 VAL 5 20.261 -5.549 -1.066 30 HG12 VAL 5 HG12 VAL 5 19.140 -6.736 -1.730 31 HG13 VAL 5 HG13 VAL 5 18.851 -6.049 -0.132 32 HG21 VAL 5 HG21 VAL 5 16.514 -5.442 -1.068 33 HG22 VAL 5 HG22 VAL 5 16.978 -6.028 -2.665 34 HG23 VAL 5 HG23 VAL 5 16.420 -4.369 -2.462 35 H GLY 6 HN GLY 6 16.607 -1.922 -0.005 36 HA2 GLY 6 HA2 GLY 6 14.981 -2.216 1.691 37 HA3 GLY 6 HA1 GLY 6 15.820 -3.691 2.183 38 H GLY 7 HN GLY 7 14.920 -1.612 3.902 39 HA2 GLY 7 HA2 GLY 7 17.036 -1.281 5.637 40 HA3 GLY 7 HA1 GLY 7 17.088 0.130 4.586 41 H ILE 8 HN ILE 8 14.175 0.071 4.199 42 HA ILE 8 HA ILE 8 13.329 0.898 6.880 43 HB ILE 8 HB ILE 8 12.451 2.038 4.226 44 HG12 ILE 8 HG12 ILE 8 13.166 4.174 5.532 45 HG13 ILE 8 HG11 ILE 8 14.058 3.050 6.543 46 HG21 ILE 8 HG21 ILE 8 10.547 1.758 5.742 47 HG22 ILE 8 HG22 ILE 8 10.934 3.455 5.460 48 HG23 ILE 8 HG23 ILE 8 11.405 2.684 6.974 49 HD11 ILE 8 HD11 ILE 8 14.390 3.456 3.592 50 HD12 ILE 8 HD12 ILE 8 15.216 2.226 4.554 51 HD13 ILE 8 HD13 ILE 8 15.510 3.938 4.870 52 H PHE 9 HN PHE 9 12.106 -0.664 7.658 53 HA PHE 9 HA PHE 9 10.726 -2.423 5.776 54 HB2 PHE 9 HB2 PHE 9 11.408 -2.855 8.691 55 HB3 PHE 9 HB1 PHE 9 10.668 -4.045 7.623 56 HD1 PHE 9 HD1 PHE 9 11.992 -4.680 5.508 57 HD2 PHE 9 HD2 PHE 9 13.714 -2.748 8.887 58 HE1 PHE 9 HE1 PHE 9 14.224 -5.430 4.796 59 HE2 PHE 9 HE2 PHE 9 15.948 -3.496 8.182 60 HZ PHE 9 HZ PHE 9 16.204 -4.837 6.132 61 H VAL 10 HN VAL 10 8.600 -2.903 5.897 62 HA VAL 10 HA VAL 10 6.987 -1.259 7.741 63 HB VAL 10 HB VAL 10 5.541 -2.235 5.439 64 HG11 VAL 10 HG11 VAL 10 6.020 0.573 6.409 65 HG12 VAL 10 HG12 VAL 10 4.753 -0.505 6.991 66 HG13 VAL 10 HG13 VAL 10 4.742 0.036 5.312 67 HG21 VAL 10 HG21 VAL 10 7.609 -2.024 4.240 68 HG22 VAL 10 HG22 VAL 10 7.882 -0.421 4.922 69 HG23 VAL 10 HG23 VAL 10 6.552 -0.683 3.791 70 H LYS 11 HN LYS 11 5.284 -2.219 8.728 71 HA LYS 11 HA LYS 11 5.116 -5.143 8.525 72 HB2 LYS 11 HB2 LYS 11 3.869 -3.376 10.637 73 HB3 LYS 11 HB1 LYS 11 4.128 -5.113 10.707 74 HG2 LYS 11 HG2 LYS 11 6.535 -4.765 10.794 75 HG3 LYS 11 HG1 LYS 11 6.291 -3.023 10.698 76 HD2 LYS 11 HD2 LYS 11 4.924 -3.213 12.805 77 HD3 LYS 11 HD1 LYS 11 5.490 -4.879 12.927 78 HE2 LYS 11 HE2 LYS 11 7.179 -2.384 12.923 79 HE3 LYS 11 HE1 LYS 11 6.885 -3.461 14.286 80 HZ1 LYS 11 HZ1 LYS 11 8.039 -5.220 13.101 81 HZ2 LYS 11 HZ2 LYS 11 9.039 -3.872 13.287 82 HZ3 LYS 11 HZ3 LYS 11 8.321 -4.187 11.790 83 H VAL 12 HN VAL 12 3.358 -6.035 7.610 84 HA VAL 12 HA VAL 12 1.073 -4.245 7.101 85 HB VAL 12 HB VAL 12 1.593 -4.314 4.930 86 HG11 VAL 12 HG11 VAL 12 3.240 -5.969 3.983 87 HG12 VAL 12 HG12 VAL 12 3.423 -6.584 5.634 88 HG13 VAL 12 HG13 VAL 12 3.829 -4.904 5.263 89 HG21 VAL 12 HG21 VAL 12 -0.252 -5.827 4.748 90 HG22 VAL 12 HG22 VAL 12 0.758 -7.199 5.192 91 HG23 VAL 12 HG23 VAL 12 1.008 -6.387 3.646 92 H SER 13 HN SER 13 -0.787 -4.924 7.738 93 HA SER 13 HA SER 13 -1.185 -7.787 8.289 94 HB2 SER 13 HB2 SER 13 -2.463 -5.409 9.666 95 HB3 SER 13 HB1 SER 13 -2.730 -7.105 10.064 96 HG SER 13 HG SER 13 -1.189 -6.545 11.455 97 H MET 14 HN MET 14 -3.260 -8.643 7.821 98 HA MET 14 HA MET 14 -4.637 -7.180 5.692 99 HB2 MET 14 HB2 MET 14 -4.643 -10.113 6.422 100 HB3 MET 14 HB1 MET 14 -5.630 -9.411 5.147 101 HG2 MET 14 HG2 MET 14 -2.634 -9.565 5.257 102 HG3 MET 14 HG1 MET 14 -3.707 -10.429 4.169 103 HE1 MET 14 HE1 MET 14 -5.492 -9.054 2.718 104 HE2 MET 14 HE2 MET 14 -5.193 -7.434 2.093 105 HE3 MET 14 HE3 MET 14 -5.748 -7.644 3.757 106 H ASP 15 HN ASP 15 -6.989 -7.309 5.593 107 HA ASP 15 HA ASP 15 -8.283 -7.934 8.149 108 HB2 ASP 15 HB2 ASP 15 -7.917 -5.401 7.751 109 HB3 ASP 15 HB1 ASP 15 -9.179 -5.561 6.536 110 H GLY 16 HN GLY 16 -10.409 -8.634 7.993 111 HA2 GLY 16 HA2 GLY 16 -12.290 -9.522 6.923 112 HA3 GLY 16 HA1 GLY 16 -11.552 -9.164 5.365 113 H ALA 17 HN ALA 17 -9.063 -10.355 5.838 114 HA ALA 17 HA ALA 17 -9.615 -13.106 6.680 115 HB1 ALA 17 HB1 ALA 17 -8.184 -13.978 4.900 116 HB2 ALA 17 HB2 ALA 17 -8.025 -12.351 4.231 117 HB3 ALA 17 HB3 ALA 17 -9.599 -13.149 4.247 118 HA PRO 18 HA PRO 18 -6.084 -12.207 9.151 119 HB2 PRO 18 HB2 PRO 18 -5.575 -14.665 10.111 120 HB3 PRO 18 HB1 PRO 18 -7.023 -13.764 10.581 121 HG2 PRO 18 HG2 PRO 18 -6.735 -15.939 8.545 122 HG3 PRO 18 HG1 PRO 18 -7.988 -15.724 9.762 123 HD2 PRO 18 HD2 PRO 18 -8.289 -15.019 7.152 124 HD3 PRO 18 HD1 PRO 18 -9.135 -14.205 8.481 125 H TYR 19 HN TYR 19 -4.099 -11.782 8.457 126 HA TYR 19 HA TYR 19 -2.374 -13.934 7.562 127 HB2 TYR 19 HB2 TYR 19 -2.805 -11.475 5.852 128 HB3 TYR 19 HB1 TYR 19 -1.489 -12.616 5.636 129 HD1 TYR 19 HD1 TYR 19 -2.095 -15.025 5.018 130 HD2 TYR 19 HD2 TYR 19 -4.860 -11.799 4.828 131 HE1 TYR 19 HE1 TYR 19 -3.504 -16.332 3.480 132 HE2 TYR 19 HE2 TYR 19 -6.277 -13.094 3.296 133 HH TYR 19 HH TYR 19 -5.807 -16.436 2.724 134 H LEU 20 HN LEU 20 -0.117 -13.203 7.421 135 HA LEU 20 HA LEU 20 0.417 -10.747 8.923 136 HB2 LEU 20 HB2 LEU 20 0.461 -13.154 10.138 137 HB3 LEU 20 HB1 LEU 20 2.099 -13.097 9.518 138 HG LEU 20 HG LEU 20 1.992 -12.319 11.835 139 HD11 LEU 20 HD11 LEU 20 3.172 -10.197 11.549 140 HD12 LEU 20 HD12 LEU 20 2.633 -10.127 9.870 141 HD13 LEU 20 HD13 LEU 20 3.720 -11.411 10.397 142 HD21 LEU 20 HD21 LEU 20 0.248 -10.101 10.771 143 HD22 LEU 20 HD22 LEU 20 0.855 -10.257 12.419 144 HD23 LEU 20 HD23 LEU 20 -0.294 -11.435 11.788 145 H ARG 21 HN ARG 21 1.480 -9.609 7.441 146 HA ARG 21 HA ARG 21 3.608 -10.940 5.900 147 HB2 ARG 21 HB2 ARG 21 1.744 -8.792 4.880 148 HB3 ARG 21 HB1 ARG 21 3.048 -9.539 3.976 149 HG2 ARG 21 HG2 ARG 21 0.612 -10.977 5.012 150 HG3 ARG 21 HG1 ARG 21 0.832 -10.406 3.356 151 HD2 ARG 21 HD2 ARG 21 2.532 -12.454 4.785 152 HD3 ARG 21 HD1 ARG 21 1.341 -12.781 3.527 153 HE ARG 21 HE ARG 21 3.626 -11.043 2.912 154 HH11 ARG 21 HH11 ARG 21 1.943 -14.085 2.472 155 HH12 ARG 21 HH12 ARG 21 2.865 -14.535 1.074 156 HH21 ARG 21 HH21 ARG 21 4.840 -11.641 1.069 157 HH22 ARG 21 HH22 ARG 21 4.518 -13.156 0.285 158 H LYS 22 HN LYS 22 5.404 -9.608 5.313 159 HA LYS 22 HA LYS 22 5.463 -6.866 6.305 160 HB2 LYS 22 HB2 LYS 22 7.701 -8.761 7.026 161 HB3 LYS 22 HB1 LYS 22 7.474 -7.100 7.556 162 HG2 LYS 22 HG2 LYS 22 5.221 -8.714 8.297 163 HG3 LYS 22 HG1 LYS 22 6.723 -9.414 8.901 164 HD2 LYS 22 HD2 LYS 22 7.212 -7.528 10.173 165 HD3 LYS 22 HD1 LYS 22 6.124 -6.502 9.241 166 HE2 LYS 22 HE2 LYS 22 5.250 -8.778 11.006 167 HE3 LYS 22 HE1 LYS 22 5.245 -7.080 11.487 168 HZ1 LYS 22 HZ1 LYS 22 3.750 -8.114 9.136 169 HZ2 LYS 22 HZ2 LYS 22 3.608 -6.592 9.860 170 HZ3 LYS 22 HZ3 LYS 22 3.072 -7.964 10.680 171 H ILE 23 HN ILE 23 6.791 -5.551 5.099 172 HA ILE 23 HA ILE 23 8.569 -6.734 3.129 173 HB ILE 23 HB ILE 23 7.588 -5.127 1.376 174 HG12 ILE 23 HG12 ILE 23 5.362 -5.278 3.377 175 HG13 ILE 23 HG11 ILE 23 6.077 -3.855 2.650 176 HG21 ILE 23 HG21 ILE 23 7.522 -7.490 1.089 177 HG22 ILE 23 HG22 ILE 23 5.954 -6.820 0.639 178 HG23 ILE 23 HG23 ILE 23 6.152 -7.635 2.189 179 HD11 ILE 23 HD11 ILE 23 3.845 -4.300 1.773 180 HD12 ILE 23 HD12 ILE 23 4.390 -5.877 1.202 181 HD13 ILE 23 HD13 ILE 23 5.076 -4.406 0.514 182 H ASP 24 HN ASP 24 9.580 -4.927 1.800 183 HA ASP 24 HA ASP 24 10.250 -2.669 3.586 184 HB2 ASP 24 HB2 ASP 24 12.168 -4.179 3.300 185 HB3 ASP 24 HB1 ASP 24 12.028 -4.039 1.550 186 H LEU 25 HN LEU 25 10.411 -0.636 2.671 187 HA LEU 25 HA LEU 25 8.550 -0.250 0.524 188 HB2 LEU 25 HB2 LEU 25 10.247 1.721 2.003 189 HB3 LEU 25 HB1 LEU 25 8.953 2.139 0.908 190 HG LEU 25 HG LEU 25 8.408 0.451 3.320 191 HD11 LEU 25 HD11 LEU 25 7.930 2.445 4.602 192 HD12 LEU 25 HD12 LEU 25 8.439 3.461 3.254 193 HD13 LEU 25 HD13 LEU 25 9.617 2.449 4.087 194 HD21 LEU 25 HD21 LEU 25 6.197 1.596 3.127 195 HD22 LEU 25 HD22 LEU 25 6.614 0.586 1.737 196 HD23 LEU 25 HD23 LEU 25 6.775 2.340 1.632 197 H ARG 26 HN ARG 26 12.025 0.276 0.939 198 HA ARG 26 HA ARG 26 12.148 1.640 -1.593 199 HB2 ARG 26 HB2 ARG 26 14.370 2.215 -1.057 200 HB3 ARG 26 HB1 ARG 26 13.361 2.471 0.352 201 HG2 ARG 26 HG2 ARG 26 14.189 0.282 1.234 202 HG3 ARG 26 HG1 ARG 26 15.349 0.269 -0.100 203 HD2 ARG 26 HD2 ARG 26 16.095 2.545 0.676 204 HD3 ARG 26 HD1 ARG 26 15.097 2.299 2.110 205 HE ARG 26 HE ARG 26 16.703 0.095 1.991 206 HH11 ARG 26 HH11 ARG 26 17.255 3.549 2.110 207 HH12 ARG 26 HH12 ARG 26 18.764 3.405 2.953 208 HH21 ARG 26 HH21 ARG 26 18.694 -0.105 3.079 209 HH22 ARG 26 HH22 ARG 26 19.582 1.327 3.509 210 H VAL 27 HN VAL 27 12.453 -1.601 -0.649 211 HA VAL 27 HA VAL 27 14.411 -2.464 -2.492 212 HB VAL 27 HB VAL 27 13.407 -4.698 -2.369 213 HG11 VAL 27 HG11 VAL 27 13.587 -3.316 0.297 214 HG12 VAL 27 HG12 VAL 27 14.924 -4.013 -0.616 215 HG13 VAL 27 HG13 VAL 27 13.662 -5.058 0.036 216 HG21 VAL 27 HG21 VAL 27 11.232 -3.378 -0.754 217 HG22 VAL 27 HG22 VAL 27 11.437 -5.114 -0.986 218 HG23 VAL 27 HG23 VAL 27 11.057 -4.079 -2.362 219 H TYR 28 HN TYR 28 11.267 -1.257 -3.004 220 HA TYR 28 HA TYR 28 10.828 -2.679 -5.480 221 HB2 TYR 28 HB2 TYR 28 9.315 -0.326 -4.342 222 HB3 TYR 28 HB1 TYR 28 8.775 -1.395 -5.633 223 HD1 TYR 28 HD1 TYR 28 9.258 -4.033 -4.701 224 HD2 TYR 28 HD2 TYR 28 8.013 -0.640 -2.478 225 HE1 TYR 28 HE1 TYR 28 8.203 -5.515 -3.052 226 HE2 TYR 28 HE2 TYR 28 6.946 -2.113 -0.815 227 HH TYR 28 HH TYR 28 7.517 -5.451 -0.707 228 H GLY 29 HN GLY 29 12.051 0.372 -4.415 229 HA2 GLY 29 HA2 GLY 29 13.218 2.024 -5.494 230 HA3 GLY 29 HA1 GLY 29 13.533 0.833 -6.744 231 H GLY 30 HN GLY 30 10.227 1.477 -6.151 232 HA2 GLY 30 HA2 GLY 30 9.556 3.696 -7.541 233 HA3 GLY 30 HA1 GLY 30 9.947 2.545 -8.810 234 H TYR 31 HN TYR 31 7.504 3.380 -8.960 235 HA TYR 31 HA TYR 31 5.622 2.153 -7.240 236 HB2 TYR 31 HB2 TYR 31 5.215 3.292 -10.008 237 HB3 TYR 31 HB1 TYR 31 3.940 2.916 -8.851 238 HD1 TYR 31 HD2 TYR 31 4.784 3.952 -6.368 239 HD2 TYR 31 HD1 TYR 31 5.439 5.571 -10.238 240 HE1 TYR 31 HE2 TYR 31 5.025 6.185 -5.380 241 HE2 TYR 31 HE1 TYR 31 5.685 7.817 -9.267 242 HH TYR 31 HH TYR 31 4.862 8.990 -7.128 243 H SER 32 HN SER 32 7.188 1.096 -10.185 244 HA SER 32 HA SER 32 5.243 -0.716 -11.074 245 HB2 SER 32 HB2 SER 32 7.185 -1.867 -12.212 246 HB3 SER 32 HB1 SER 32 6.998 -0.149 -12.579 247 HG SER 32 HG SER 32 8.841 0.258 -11.621 248 H GLU 33 HN GLU 33 8.181 -1.385 -9.166 249 HA GLU 33 HA GLU 33 7.424 -4.083 -8.690 250 HB2 GLU 33 HB2 GLU 33 9.491 -2.326 -7.379 251 HB3 GLU 33 HB1 GLU 33 9.272 -4.024 -6.992 252 HG2 GLU 33 HG2 GLU 33 10.122 -2.834 -9.616 253 HG3 GLU 33 HG1 GLU 33 11.073 -3.848 -8.531 254 H LEU 34 HN LEU 34 6.896 -1.063 -7.041 255 HA LEU 34 HA LEU 34 5.977 -1.978 -4.567 256 HB2 LEU 34 HB2 LEU 34 6.289 0.394 -5.042 257 HB3 LEU 34 HB1 LEU 34 5.033 0.341 -6.261 258 HG LEU 34 HG LEU 34 3.453 -0.315 -4.349 259 HD11 LEU 34 HD11 LEU 34 4.116 0.467 -2.133 260 HD12 LEU 34 HD12 LEU 34 5.736 0.813 -2.740 261 HD13 LEU 34 HD13 LEU 34 5.148 -0.849 -2.694 262 HD21 LEU 34 HD21 LEU 34 3.361 1.826 -5.475 263 HD22 LEU 34 HD22 LEU 34 4.667 2.440 -4.465 264 HD23 LEU 34 HD23 LEU 34 3.112 2.037 -3.742 265 H LEU 35 HN LEU 35 4.136 -1.268 -7.515 266 HA LEU 35 HA LEU 35 1.674 -2.238 -6.544 267 HB2 LEU 35 HB2 LEU 35 2.655 -1.747 -9.354 268 HB3 LEU 35 HB1 LEU 35 0.982 -2.026 -8.910 269 HG LEU 35 HG LEU 35 2.603 0.268 -7.818 270 HD11 LEU 35 HD11 LEU 35 1.504 1.699 -9.430 271 HD12 LEU 35 HD12 LEU 35 0.688 0.306 -10.145 272 HD13 LEU 35 HD13 LEU 35 2.442 0.455 -10.258 273 HD21 LEU 35 HD21 LEU 35 0.679 -0.354 -6.474 274 HD22 LEU 35 HD22 LEU 35 -0.361 -0.279 -7.897 275 HD23 LEU 35 HD23 LEU 35 0.394 1.190 -7.280 276 H LYS 36 HN LYS 36 4.266 -3.693 -8.389 277 HA LYS 36 HA LYS 36 2.852 -6.062 -9.079 278 HB2 LYS 36 HB2 LYS 36 5.722 -5.211 -9.203 279 HB3 LYS 36 HB1 LYS 36 5.305 -6.905 -9.457 280 HG2 LYS 36 HG2 LYS 36 4.122 -4.615 -11.009 281 HG3 LYS 36 HG1 LYS 36 5.509 -5.569 -11.538 282 HD2 LYS 36 HD2 LYS 36 4.193 -7.551 -11.670 283 HD3 LYS 36 HD1 LYS 36 2.828 -6.771 -10.871 284 HE2 LYS 36 HE2 LYS 36 3.949 -5.985 -13.556 285 HE3 LYS 36 HE1 LYS 36 2.514 -6.980 -13.307 286 HZ1 LYS 36 HZ1 LYS 36 1.826 -4.747 -13.687 287 HZ2 LYS 36 HZ2 LYS 36 2.881 -4.145 -12.514 288 HZ3 LYS 36 HZ3 LYS 36 1.553 -5.090 -12.050 289 H ALA 37 HN ALA 37 4.862 -5.119 -6.372 290 HA ALA 37 HA ALA 37 5.202 -7.648 -5.199 291 HB1 ALA 37 HB1 ALA 37 6.431 -5.666 -4.466 292 HB2 ALA 37 HB2 ALA 37 5.607 -6.453 -3.119 293 HB3 ALA 37 HB3 ALA 37 4.938 -4.980 -3.823 294 H LEU 38 HN LEU 38 2.611 -5.262 -4.907 295 HA LEU 38 HA LEU 38 1.115 -6.569 -2.901 296 HB2 LEU 38 HB2 LEU 38 -0.450 -5.196 -4.982 297 HB3 LEU 38 HB1 LEU 38 -0.464 -4.995 -3.239 298 HG LEU 38 HG LEU 38 1.758 -3.904 -4.930 299 HD11 LEU 38 HD11 LEU 38 -0.262 -2.992 -5.841 300 HD12 LEU 38 HD12 LEU 38 0.549 -1.752 -4.880 301 HD13 LEU 38 HD13 LEU 38 -0.857 -2.591 -4.231 302 HD21 LEU 38 HD21 LEU 38 2.005 -2.365 -3.035 303 HD22 LEU 38 HD22 LEU 38 2.182 -4.049 -2.542 304 HD23 LEU 38 HD23 LEU 38 0.681 -3.185 -2.205 305 H GLU 39 HN GLU 39 0.748 -6.534 -6.423 306 HA GLU 39 HA GLU 39 -1.139 -8.501 -6.773 307 HB2 GLU 39 HB2 GLU 39 1.335 -8.029 -8.447 308 HB3 GLU 39 HB1 GLU 39 -0.081 -8.936 -8.962 309 HG2 GLU 39 HG2 GLU 39 -1.439 -6.900 -8.731 310 HG3 GLU 39 HG1 GLU 39 0.012 -6.005 -8.282 311 H THR 40 HN THR 40 2.207 -8.828 -5.884 312 HA THR 40 HA THR 40 2.357 -11.664 -6.259 313 HB THR 40 HB THR 40 4.097 -9.671 -4.816 314 HG1 THR 40 HG1 THR 40 4.174 -9.573 -7.084 315 HG21 THR 40 HG21 THR 40 4.592 -12.620 -5.202 316 HG22 THR 40 HG22 THR 40 4.312 -11.794 -3.667 317 HG23 THR 40 HG23 THR 40 5.771 -11.454 -4.603 318 H MET 41 HN MET 41 1.709 -9.504 -3.546 319 HA MET 41 HA MET 41 2.341 -11.163 -1.427 320 HB2 MET 41 HB2 MET 41 0.198 -9.034 -1.567 321 HB3 MET 41 HB1 MET 41 0.876 -9.689 -0.086 322 HG2 MET 41 HG2 MET 41 2.632 -8.407 -2.133 323 HG3 MET 41 HG1 MET 41 1.721 -7.426 -0.989 324 HE1 MET 41 HE1 MET 41 1.765 -8.906 1.724 325 HE2 MET 41 HE2 MET 41 2.190 -7.212 1.478 326 HE3 MET 41 HE3 MET 41 3.254 -8.262 2.414 327 H PHE 42 HN PHE 42 -0.943 -10.518 -2.651 328 HA PHE 42 HA PHE 42 -1.844 -12.962 -1.285 329 HB2 PHE 42 HB2 PHE 42 -4.082 -11.476 -2.180 330 HB3 PHE 42 HB1 PHE 42 -3.527 -11.700 -0.524 331 HD1 PHE 42 HD1 PHE 42 -3.350 -9.505 -3.471 332 HD2 PHE 42 HD2 PHE 42 -2.418 -9.971 0.650 333 HE1 PHE 42 HE1 PHE 42 -2.781 -7.122 -3.340 334 HE2 PHE 42 HE2 PHE 42 -1.847 -7.588 0.791 335 HZ PHE 42 HZ PHE 42 -2.025 -6.163 -1.218 336 H LYS 43 HN LYS 43 -0.728 -12.276 -4.124 337 HA LYS 43 HA LYS 43 -0.804 -13.291 -6.147 338 HB2 LYS 43 HB2 LYS 43 -2.651 -15.246 -4.766 339 HB3 LYS 43 HB1 LYS 43 -1.867 -15.502 -6.314 340 HG2 LYS 43 HG2 LYS 43 -0.307 -16.562 -5.117 341 HG3 LYS 43 HG1 LYS 43 0.261 -14.942 -4.717 342 HD2 LYS 43 HD2 LYS 43 -0.904 -14.953 -2.643 343 HD3 LYS 43 HD1 LYS 43 -1.776 -16.427 -3.071 344 HE2 LYS 43 HE2 LYS 43 0.303 -17.686 -3.045 345 HE3 LYS 43 HE1 LYS 43 1.208 -16.219 -2.687 346 HZ1 LYS 43 HZ1 LYS 43 0.077 -16.055 -0.576 347 HZ2 LYS 43 HZ2 LYS 43 0.807 -17.573 -0.713 348 HZ3 LYS 43 HZ3 LYS 43 -0.863 -17.419 -0.928 349 H LEU 44 HN LEU 44 -2.529 -11.125 -5.829 350 HA LEU 44 HA LEU 44 -4.330 -11.707 -8.016 351 HB2 LEU 44 HB2 LEU 44 -6.217 -10.478 -6.915 352 HB3 LEU 44 HB1 LEU 44 -5.884 -12.070 -6.283 353 HG LEU 44 HG LEU 44 -4.385 -10.444 -4.652 354 HD11 LEU 44 HD11 LEU 44 -5.786 -8.626 -3.961 355 HD12 LEU 44 HD12 LEU 44 -7.032 -9.093 -5.117 356 HD13 LEU 44 HD13 LEU 44 -5.479 -8.484 -5.691 357 HD21 LEU 44 HD21 LEU 44 -6.050 -10.940 -2.957 358 HD22 LEU 44 HD22 LEU 44 -5.744 -12.353 -3.967 359 HD23 LEU 44 HD23 LEU 44 -7.206 -11.396 -4.209 360 H THR 45 HN THR 45 -5.446 -9.498 -8.646 361 HA THR 45 HA THR 45 -3.039 -7.956 -9.239 362 HB THR 45 HB THR 45 -5.699 -7.839 -10.654 363 HG1 THR 45 HG1 THR 45 -5.147 -9.795 -11.278 364 HG21 THR 45 HG21 THR 45 -4.380 -6.940 -12.509 365 HG22 THR 45 HG22 THR 45 -2.918 -7.042 -11.529 366 HG23 THR 45 HG23 THR 45 -4.209 -5.932 -11.073 367 H ILE 46 HN ILE 46 -2.773 -6.370 -7.716 368 HA ILE 46 HA ILE 46 -4.915 -4.413 -7.335 369 HB ILE 46 HB ILE 46 -2.153 -4.030 -6.245 370 HG12 ILE 46 HG12 ILE 46 -2.599 -6.349 -5.671 371 HG13 ILE 46 HG11 ILE 46 -2.753 -5.344 -4.232 372 HG21 ILE 46 HG21 ILE 46 -3.790 -2.276 -5.926 373 HG22 ILE 46 HG22 ILE 46 -3.401 -3.029 -4.374 374 HG23 ILE 46 HG23 ILE 46 -4.911 -3.425 -5.194 375 HD11 ILE 46 HD11 ILE 46 -5.179 -5.380 -4.465 376 HD12 ILE 46 HD12 ILE 46 -4.506 -7.004 -4.325 377 HD13 ILE 46 HD13 ILE 46 -5.016 -6.396 -5.899 378 H GLY 47 HN GLY 47 -4.690 -2.233 -8.070 379 HA2 GLY 47 HA2 GLY 47 -2.406 -0.973 -8.885 380 HA3 GLY 47 HA1 GLY 47 -2.927 -1.861 -10.304 381 H GLU 48 HN GLU 48 -2.921 0.375 -11.091 382 HA GLU 48 HA GLU 48 -3.879 2.310 -11.729 383 HB2 GLU 48 HB2 GLU 48 -6.154 0.387 -11.737 384 HB3 GLU 48 HB1 GLU 48 -6.321 2.032 -12.329 385 HG2 GLU 48 HG2 GLU 48 -4.329 1.503 -13.829 386 HG3 GLU 48 HG1 GLU 48 -4.626 -0.185 -13.413 387 H TYR 49 HN TYR 49 -3.442 3.384 -9.688 388 HA TYR 49 HA TYR 49 -5.541 3.984 -7.900 389 HB2 TYR 49 HB2 TYR 49 -3.067 4.554 -7.645 390 HB3 TYR 49 HB1 TYR 49 -3.351 5.883 -8.761 391 HD1 TYR 49 HD2 TYR 49 -4.898 7.756 -8.081 392 HD2 TYR 49 HD1 TYR 49 -3.702 4.692 -5.379 393 HE1 TYR 49 HE2 TYR 49 -5.556 9.172 -6.189 394 HE2 TYR 49 HE1 TYR 49 -4.383 6.082 -3.473 395 HH TYR 49 HH TYR 49 -4.547 8.777 -3.176 396 H SER 50 HN SER 50 -7.381 4.168 -9.249 397 HA SER 50 HA SER 50 -7.650 6.028 -11.335 398 HB2 SER 50 HB2 SER 50 -9.233 4.285 -11.229 399 HB3 SER 50 HB1 SER 50 -9.647 4.659 -9.565 400 HG SER 50 HG SER 50 -10.307 6.075 -11.921 401 H GLU 51 HN GLU 51 -8.684 8.010 -11.398 402 HA GLU 51 HA GLU 51 -8.194 9.698 -9.141 403 HB2 GLU 51 HB2 GLU 51 -9.783 10.335 -11.639 404 HB3 GLU 51 HB1 GLU 51 -9.094 11.492 -10.509 405 HG2 GLU 51 HG2 GLU 51 -7.587 9.650 -12.345 406 HG3 GLU 51 HG1 GLU 51 -7.756 11.395 -12.499 407 H ARG 52 HN ARG 52 -10.755 7.674 -10.097 408 HA ARG 52 HA ARG 52 -12.894 9.234 -9.094 409 HB2 ARG 52 HB2 ARG 52 -13.192 7.842 -10.971 410 HB3 ARG 52 HB1 ARG 52 -12.581 6.438 -10.116 411 HG2 ARG 52 HG2 ARG 52 -14.955 7.758 -9.000 412 HG3 ARG 52 HG1 ARG 52 -15.127 6.906 -10.530 413 HD2 ARG 52 HD2 ARG 52 -14.229 4.883 -9.546 414 HD3 ARG 52 HD1 ARG 52 -13.954 5.728 -8.025 415 HE ARG 52 HE ARG 52 -16.461 6.014 -7.995 416 HH11 ARG 52 HH11 ARG 52 -14.922 3.325 -9.623 417 HH12 ARG 52 HH12 ARG 52 -16.299 2.282 -9.477 418 HH21 ARG 52 HH21 ARG 52 -18.278 4.647 -7.803 419 HH22 ARG 52 HH22 ARG 52 -18.208 3.037 -8.445 420 H GLU 53 HN GLU 53 -11.567 6.034 -8.010 421 HA GLU 53 HA GLU 53 -12.262 6.949 -5.290 422 HB2 GLU 53 HB2 GLU 53 -12.375 4.189 -6.446 423 HB3 GLU 53 HB1 GLU 53 -12.171 4.434 -4.720 424 HG2 GLU 53 HG2 GLU 53 -14.237 5.770 -4.719 425 HG3 GLU 53 HG1 GLU 53 -14.461 5.333 -6.405 426 H GLY 54 HN GLY 54 -9.943 5.616 -7.378 427 HA2 GLY 54 HA2 GLY 54 -7.836 4.779 -7.206 428 HA3 GLY 54 HA1 GLY 54 -7.608 6.207 -6.226 429 H TYR 55 HN TYR 55 -9.735 3.998 -4.687 430 HA TYR 55 HA TYR 55 -7.440 2.772 -3.311 431 HB2 TYR 55 HB2 TYR 55 -9.981 3.658 -1.933 432 HB3 TYR 55 HB1 TYR 55 -8.548 2.975 -1.173 433 HD1 TYR 55 HD1 TYR 55 -6.319 4.447 -2.241 434 HD2 TYR 55 HD2 TYR 55 -10.231 5.839 -1.309 435 HE1 TYR 55 HE1 TYR 55 -5.451 6.706 -1.967 436 HE2 TYR 55 HE2 TYR 55 -9.364 8.112 -1.038 437 HH TYR 55 HH TYR 55 -6.241 8.999 -2.067 438 H LYS 56 HN LYS 56 -9.490 1.829 -5.433 439 HA LYS 56 HA LYS 56 -11.261 0.097 -4.040 440 HB2 LYS 56 HB2 LYS 56 -10.803 -0.715 -6.779 441 HB3 LYS 56 HB1 LYS 56 -12.264 -0.098 -6.026 442 HG2 LYS 56 HG2 LYS 56 -12.033 1.696 -7.305 443 HG3 LYS 56 HG1 LYS 56 -10.665 2.150 -6.300 444 HD2 LYS 56 HD2 LYS 56 -10.611 0.581 -8.847 445 HD3 LYS 56 HD1 LYS 56 -9.991 2.200 -8.613 446 HE2 LYS 56 HE2 LYS 56 -8.224 1.363 -7.221 447 HE3 LYS 56 HE1 LYS 56 -8.936 -0.250 -7.221 448 HZ1 LYS 56 HZ1 LYS 56 -8.494 -0.427 -9.577 449 HZ2 LYS 56 HZ2 LYS 56 -7.057 -0.105 -8.743 450 HZ3 LYS 56 HZ3 LYS 56 -7.833 1.130 -9.608 451 H GLY 57 HN GLY 57 -8.152 -0.279 -5.554 452 HA2 GLY 57 HA2 GLY 57 -6.578 -1.935 -5.524 453 HA3 GLY 57 HA1 GLY 57 -7.301 -2.405 -3.996 454 H SER 58 HN SER 58 -9.240 -2.511 -6.879 455 HA SER 58 HA SER 58 -10.437 -4.197 -7.787 456 HB2 SER 58 HB2 SER 58 -8.224 -5.006 -8.572 457 HB3 SER 58 HB1 SER 58 -8.053 -5.936 -7.085 458 HG SER 58 HG SER 58 -10.402 -6.372 -8.480 459 H GLU 59 HN GLU 59 -8.833 -6.314 -5.437 460 HA GLU 59 HA GLU 59 -11.317 -6.272 -3.873 461 HB2 GLU 59 HB2 GLU 59 -10.975 -8.432 -4.996 462 HB3 GLU 59 HB1 GLU 59 -9.431 -8.602 -4.164 463 HG2 GLU 59 HG2 GLU 59 -10.539 -8.603 -2.029 464 HG3 GLU 59 HG1 GLU 59 -12.091 -8.319 -2.799 465 H TYR 60 HN TYR 60 -7.906 -5.806 -3.817 466 HA TYR 60 HA TYR 60 -8.110 -5.390 -0.923 467 HB2 TYR 60 HB2 TYR 60 -5.987 -6.958 -2.348 468 HB3 TYR 60 HB1 TYR 60 -5.621 -6.121 -0.850 469 HD1 TYR 60 HD2 TYR 60 -7.230 -6.580 1.117 470 HD2 TYR 60 HD1 TYR 60 -6.855 -9.150 -2.237 471 HE1 TYR 60 HE2 TYR 60 -8.162 -8.408 2.448 472 HE2 TYR 60 HE1 TYR 60 -7.790 -11.006 -0.927 473 HH TYR 60 HH TYR 60 -8.082 -11.672 1.405 474 H ALA 61 HN ALA 61 -7.538 -3.460 -0.316 475 HA ALA 61 HA ALA 61 -5.911 -1.836 -2.146 476 HB1 ALA 61 HB1 ALA 61 -8.119 -0.927 -1.639 477 HB2 ALA 61 HB2 ALA 61 -6.843 0.102 -0.989 478 HB3 ALA 61 HB3 ALA 61 -7.744 -0.969 0.084 479 HA PRO 62 HA PRO 62 -2.855 -2.323 1.156 480 HB2 PRO 62 HB2 PRO 62 -0.760 -1.539 -0.426 481 HB3 PRO 62 HB1 PRO 62 -1.318 -3.207 -0.287 482 HG2 PRO 62 HG2 PRO 62 -1.773 -1.236 -2.456 483 HG3 PRO 62 HG1 PRO 62 -1.616 -2.998 -2.543 484 HD2 PRO 62 HD2 PRO 62 -3.997 -1.624 -2.694 485 HD3 PRO 62 HD1 PRO 62 -3.844 -3.330 -2.219 486 H THR 63 HN THR 63 -2.767 -0.734 2.545 487 HA THR 63 HA THR 63 -2.483 2.004 1.528 488 HB THR 63 HB THR 63 -3.910 2.768 3.418 489 HG1 THR 63 HG1 THR 63 -3.928 0.018 3.931 490 HG21 THR 63 HG21 THR 63 -5.214 0.793 1.535 491 HG22 THR 63 HG22 THR 63 -4.886 2.498 1.202 492 HG23 THR 63 HG23 THR 63 -6.055 2.049 2.446 493 H TYR 64 HN TYR 64 -1.368 3.449 2.869 494 HA TYR 64 HA TYR 64 0.369 2.121 4.846 495 HB2 TYR 64 HB2 TYR 64 2.184 3.467 4.143 496 HB3 TYR 64 HB1 TYR 64 1.418 2.948 2.644 497 HD1 TYR 64 HD1 TYR 64 -0.482 4.631 1.782 498 HD2 TYR 64 HD2 TYR 64 2.744 5.679 4.341 499 HE1 TYR 64 HE1 TYR 64 -0.730 6.979 1.119 500 HE2 TYR 64 HE2 TYR 64 2.517 8.031 3.689 501 HH TYR 64 HH TYR 64 1.630 9.366 1.890 502 H GLU 65 HN GLU 65 1.124 3.529 6.579 503 HA GLU 65 HA GLU 65 -0.830 5.616 7.239 504 HB2 GLU 65 HB2 GLU 65 -0.402 3.843 8.925 505 HB3 GLU 65 HB1 GLU 65 1.293 4.338 8.981 506 HG2 GLU 65 HG2 GLU 65 0.594 6.558 9.769 507 HG3 GLU 65 HG1 GLU 65 -1.083 6.016 9.760 508 H ASP 66 HN ASP 66 -0.292 7.642 6.819 509 HA ASP 66 HA ASP 66 2.457 8.289 6.141 510 HB2 ASP 66 HB2 ASP 66 1.623 10.014 4.924 511 HB3 ASP 66 HB1 ASP 66 0.128 9.097 5.041 512 H LYS 67 HN LYS 67 2.972 10.713 6.839 513 HA LYS 67 HA LYS 67 3.815 10.707 9.439 514 HB2 LYS 67 HB2 LYS 67 3.122 13.141 7.807 515 HB3 LYS 67 HB1 LYS 67 4.238 13.082 9.167 516 HG2 LYS 67 HG2 LYS 67 5.864 11.987 7.965 517 HG3 LYS 67 HG1 LYS 67 4.709 11.311 6.817 518 HD2 LYS 67 HD2 LYS 67 5.633 14.175 6.985 519 HD3 LYS 67 HD1 LYS 67 6.031 13.007 5.725 520 HE2 LYS 67 HE2 LYS 67 3.439 14.408 6.261 521 HE3 LYS 67 HE1 LYS 67 4.345 14.280 4.756 522 HZ1 LYS 67 HZ1 LYS 67 3.786 11.814 4.867 523 HZ2 LYS 67 HZ2 LYS 67 2.519 12.872 4.495 524 HZ3 LYS 67 HZ3 LYS 67 2.645 12.228 6.055 525 H ASP 68 HN ASP 68 0.793 12.054 8.142 526 HA ASP 68 HA ASP 68 0.058 13.081 10.760 527 HB2 ASP 68 HB2 ASP 68 -0.421 14.204 8.480 528 HB3 ASP 68 HB1 ASP 68 -1.751 13.056 8.362 529 H GLY 69 HN GLY 69 -0.371 10.221 8.965 530 HA2 GLY 69 HA2 GLY 69 -1.117 8.232 10.023 531 HA3 GLY 69 HA1 GLY 69 -2.103 9.205 11.100 532 H ASP 70 HN ASP 70 -2.149 9.776 7.650 533 HA ASP 70 HA ASP 70 -4.866 8.680 7.535 534 HB2 ASP 70 HB2 ASP 70 -3.298 10.531 5.775 535 HB3 ASP 70 HB1 ASP 70 -4.649 9.634 5.093 536 H TRP 71 HN TRP 71 -5.478 7.111 6.008 537 HA TRP 71 HA TRP 71 -3.226 5.483 5.018 538 HB2 TRP 71 HB2 TRP 71 -5.962 4.562 5.934 539 HB3 TRP 71 HB1 TRP 71 -4.719 3.519 5.260 540 HD1 TRP 71 HD1 TRP 71 -5.347 5.720 8.375 541 HE1 TRP 71 HE1 TRP 71 -3.991 4.739 10.331 542 HE3 TRP 71 HE3 TRP 71 -2.843 2.043 5.860 543 HZ2 TRP 71 HZ2 TRP 71 -2.117 2.676 10.748 544 HZ3 TRP 71 HZ3 TRP 71 -1.286 0.609 7.113 545 HH2 TRP 71 HH2 TRP 71 -0.932 0.921 9.506 546 H MET 72 HN MET 72 -3.053 5.635 2.907 547 HA MET 72 HA MET 72 -5.467 5.392 1.253 548 HB2 MET 72 HB2 MET 72 -3.173 7.161 0.432 549 HB3 MET 72 HB1 MET 72 -4.801 7.098 -0.218 550 HG2 MET 72 HG2 MET 72 -5.703 8.278 1.574 551 HG3 MET 72 HG1 MET 72 -4.279 8.012 2.578 552 HE1 MET 72 HE1 MET 72 -1.626 10.336 0.918 553 HE2 MET 72 HE2 MET 72 -1.892 8.631 0.556 554 HE3 MET 72 HE3 MET 72 -1.965 9.201 2.225 555 H LEU 73 HN LEU 73 -4.581 4.953 -1.172 556 HA LEU 73 HA LEU 73 -3.083 2.570 -1.054 557 HB2 LEU 73 HB2 LEU 73 -3.849 4.356 -3.324 558 HB3 LEU 73 HB1 LEU 73 -2.720 3.063 -3.588 559 HG LEU 73 HG LEU 73 -5.636 2.932 -2.993 560 HD11 LEU 73 HD11 LEU 73 -3.826 1.538 -4.950 561 HD12 LEU 73 HD12 LEU 73 -4.930 2.870 -5.299 562 HD13 LEU 73 HD13 LEU 73 -5.569 1.297 -4.821 563 HD21 LEU 73 HD21 LEU 73 -3.645 0.756 -2.440 564 HD22 LEU 73 HD22 LEU 73 -5.381 0.499 -2.610 565 HD23 LEU 73 HD23 LEU 73 -4.765 1.505 -1.299 566 H VAL 74 HN VAL 74 -1.038 2.116 -1.781 567 HA VAL 74 HA VAL 74 0.923 4.105 -1.134 568 HB VAL 74 HB VAL 74 2.582 2.280 -1.767 569 HG11 VAL 74 HG11 VAL 74 1.968 2.799 0.528 570 HG12 VAL 74 HG12 VAL 74 2.189 1.061 0.321 571 HG13 VAL 74 HG13 VAL 74 0.563 1.739 0.407 572 HG21 VAL 74 HG21 VAL 74 0.093 0.567 -1.764 573 HG22 VAL 74 HG22 VAL 74 1.757 0.012 -1.931 574 HG23 VAL 74 HG23 VAL 74 1.023 0.988 -3.202 575 H GLY 75 HN GLY 75 2.258 5.184 -2.472 576 HA2 GLY 75 HA2 GLY 75 3.192 5.731 -4.592 577 HA3 GLY 75 HA1 GLY 75 1.923 4.784 -5.361 578 H ASP 76 HN ASP 76 0.647 6.583 -2.874 579 HA ASP 76 HA ASP 76 -0.895 8.231 -4.557 580 HB2 ASP 76 HB2 ASP 76 -1.647 7.543 -2.320 581 HB3 ASP 76 HB1 ASP 76 -0.376 8.520 -1.591 582 H VAL 77 HN VAL 77 1.761 9.088 -2.341 583 HA VAL 77 HA VAL 77 2.060 11.622 -3.789 584 HB VAL 77 HB VAL 77 3.275 12.479 -1.890 585 HG11 VAL 77 HG11 VAL 77 1.580 12.364 -0.141 586 HG12 VAL 77 HG12 VAL 77 0.841 10.977 -0.943 587 HG13 VAL 77 HG13 VAL 77 0.846 12.556 -1.734 588 HG21 VAL 77 HG21 VAL 77 3.009 9.769 -0.608 589 HG22 VAL 77 HG22 VAL 77 3.757 11.200 0.096 590 HG23 VAL 77 HG23 VAL 77 4.493 10.420 -1.305 591 HA PRO 78 HA PRO 78 5.768 10.610 -5.914 592 HB2 PRO 78 HB2 PRO 78 7.543 12.502 -4.808 593 HB3 PRO 78 HB1 PRO 78 6.562 12.695 -6.263 594 HG2 PRO 78 HG2 PRO 78 6.040 13.627 -3.485 595 HG3 PRO 78 HG1 PRO 78 5.617 14.392 -5.029 596 HD2 PRO 78 HD2 PRO 78 3.767 13.171 -3.550 597 HD3 PRO 78 HD1 PRO 78 3.745 13.039 -5.320 598 H TRP 79 HN TRP 79 7.033 9.019 -5.652 599 HA TRP 79 HA TRP 79 7.464 7.479 -3.522 600 HB2 TRP 79 HB2 TRP 79 7.999 6.946 -5.878 601 HB3 TRP 79 HB1 TRP 79 9.468 7.902 -5.737 602 HD1 TRP 79 HD1 TRP 79 11.567 6.726 -4.727 603 HE1 TRP 79 HE1 TRP 79 12.043 4.347 -3.867 604 HE3 TRP 79 HE3 TRP 79 6.779 4.969 -4.563 605 HZ2 TRP 79 HZ2 TRP 79 10.565 2.025 -3.209 606 HZ3 TRP 79 HZ3 TRP 79 6.398 2.670 -3.819 607 HH2 TRP 79 HH2 TRP 79 8.243 1.225 -3.150 608 H ASP 80 HN ASP 80 9.701 10.083 -4.478 609 HA ASP 80 HA ASP 80 11.768 9.447 -2.717 610 HB2 ASP 80 HB2 ASP 80 12.082 11.051 -4.514 611 HB3 ASP 80 HB1 ASP 80 10.923 12.152 -3.775 612 H MET 81 HN MET 81 8.962 11.553 -2.226 613 HA MET 81 HA MET 81 9.675 12.058 0.524 614 HB2 MET 81 HB2 MET 81 8.372 13.572 -1.196 615 HB3 MET 81 HB1 MET 81 6.982 12.652 -0.648 616 HG2 MET 81 HG2 MET 81 8.821 14.098 1.218 617 HG3 MET 81 HG1 MET 81 7.408 14.858 0.495 618 HE1 MET 81 HE1 MET 81 4.922 14.137 0.994 619 HE2 MET 81 HE2 MET 81 4.476 12.774 2.021 620 HE3 MET 81 HE3 MET 81 5.286 12.490 0.482 621 H PHE 82 HN PHE 82 7.779 9.834 -1.316 622 HA PHE 82 HA PHE 82 5.843 9.120 0.563 623 HB2 PHE 82 HB2 PHE 82 5.988 8.472 -1.938 624 HB3 PHE 82 HB1 PHE 82 6.977 7.123 -1.380 625 HD1 PHE 82 HD1 PHE 82 5.978 5.536 0.360 626 HD2 PHE 82 HD2 PHE 82 3.686 8.385 -1.821 627 HE1 PHE 82 HE1 PHE 82 3.902 4.336 0.952 628 HE2 PHE 82 HE2 PHE 82 1.623 7.198 -1.235 629 HZ PHE 82 HZ PHE 82 1.718 5.188 0.165 630 H VAL 83 HN VAL 83 9.033 7.665 -0.066 631 HA VAL 83 HA VAL 83 8.655 5.377 1.512 632 HB VAL 83 HB VAL 83 11.355 6.646 1.179 633 HG11 VAL 83 HG11 VAL 83 12.034 4.269 0.983 634 HG12 VAL 83 HG12 VAL 83 10.359 3.813 1.311 635 HG13 VAL 83 HG13 VAL 83 11.295 4.679 2.532 636 HG21 VAL 83 HG21 VAL 83 9.798 5.145 -0.917 637 HG22 VAL 83 HG22 VAL 83 11.529 5.470 -0.995 638 HG23 VAL 83 HG23 VAL 83 10.382 6.809 -1.006 639 H THR 84 HN THR 84 9.847 8.563 2.332 640 HA THR 84 HA THR 84 10.696 7.781 4.956 641 HB THR 84 HB THR 84 10.993 10.290 5.235 642 HG1 THR 84 HG1 THR 84 9.667 11.191 3.724 643 HG21 THR 84 HG21 THR 84 12.941 10.331 3.720 644 HG22 THR 84 HG22 THR 84 12.320 8.890 2.907 645 HG23 THR 84 HG23 THR 84 12.821 8.805 4.597 646 H SER 85 HN SER 85 7.707 8.402 3.590 647 HA SER 85 HA SER 85 6.614 9.618 6.022 648 HB2 SER 85 HB2 SER 85 6.096 10.834 3.986 649 HB3 SER 85 HB1 SER 85 5.444 9.373 3.242 650 HG SER 85 HG SER 85 3.975 9.405 5.182 651 H CYS 86 HN CYS 86 6.683 6.634 4.277 652 HA CYS 86 HA CYS 86 4.253 5.665 5.505 653 HB2 CYS 86 HB2 CYS 86 5.462 3.479 4.412 654 HB3 CYS 86 HB1 CYS 86 4.302 4.502 3.583 655 HG CYS 86 HG CYS 86 6.320 6.084 2.395 656 H LYS 87 HN LYS 87 4.180 4.873 7.425 657 HA LYS 87 HA LYS 87 6.674 3.923 8.663 658 HB2 LYS 87 HB2 LYS 87 5.762 4.825 10.811 659 HB3 LYS 87 HB1 LYS 87 6.119 6.040 9.602 660 HG2 LYS 87 HG2 LYS 87 3.661 5.975 9.008 661 HG3 LYS 87 HG1 LYS 87 3.440 5.043 10.492 662 HD2 LYS 87 HD2 LYS 87 4.888 7.664 10.453 663 HD3 LYS 87 HD1 LYS 87 3.137 7.575 10.645 664 HE2 LYS 87 HE2 LYS 87 5.028 6.046 12.411 665 HE3 LYS 87 HE1 LYS 87 4.579 7.712 12.761 666 HZ1 LYS 87 HZ1 LYS 87 2.321 7.093 12.992 667 HZ2 LYS 87 HZ2 LYS 87 3.220 5.992 13.907 668 HZ3 LYS 87 HZ3 LYS 87 2.595 5.531 12.399 669 H ARG 88 HN ARG 88 3.285 3.357 8.200 670 HA ARG 88 HA ARG 88 3.685 0.620 9.150 671 HB2 ARG 88 HB2 ARG 88 1.279 2.337 9.802 672 HB3 ARG 88 HB1 ARG 88 1.402 0.614 10.122 673 HG2 ARG 88 HG2 ARG 88 3.299 1.047 11.616 674 HG3 ARG 88 HG1 ARG 88 3.106 2.778 11.314 675 HD2 ARG 88 HD2 ARG 88 0.916 2.757 12.304 676 HD3 ARG 88 HD1 ARG 88 0.951 1.003 12.455 677 HE ARG 88 HE ARG 88 2.775 1.318 14.090 678 HH11 ARG 88 HH11 ARG 88 0.700 4.055 13.383 679 HH12 ARG 88 HH12 ARG 88 0.881 4.756 14.965 680 HH21 ARG 88 HH21 ARG 88 3.028 2.264 16.162 681 HH22 ARG 88 HH22 ARG 88 2.217 3.755 16.524 682 H LEU 89 HN LEU 89 2.081 -0.885 8.218 683 HA LEU 89 HA LEU 89 0.964 0.107 5.693 684 HB2 LEU 89 HB2 LEU 89 3.320 -1.143 5.684 685 HB3 LEU 89 HB1 LEU 89 2.292 -2.564 5.687 686 HG LEU 89 HG LEU 89 1.154 -1.608 3.663 687 HD11 LEU 89 HD11 LEU 89 2.360 0.085 2.375 688 HD12 LEU 89 HD12 LEU 89 3.479 0.292 3.722 689 HD13 LEU 89 HD13 LEU 89 1.778 0.713 3.915 690 HD21 LEU 89 HD21 LEU 89 2.934 -2.268 2.123 691 HD22 LEU 89 HD22 LEU 89 2.783 -3.389 3.475 692 HD23 LEU 89 HD23 LEU 89 4.091 -2.205 3.452 693 H ARG 90 HN ARG 90 -1.032 -0.618 5.296 694 HA ARG 90 HA ARG 90 -1.855 -3.165 6.474 695 HB2 ARG 90 HB2 ARG 90 -2.741 -1.610 8.049 696 HB3 ARG 90 HB1 ARG 90 -3.333 -0.555 6.772 697 HG2 ARG 90 HG2 ARG 90 -5.015 -2.131 6.153 698 HG3 ARG 90 HG1 ARG 90 -4.344 -3.349 7.239 699 HD2 ARG 90 HD2 ARG 90 -6.363 -2.226 8.128 700 HD3 ARG 90 HD1 ARG 90 -4.943 -2.047 9.159 701 HE ARG 90 HE ARG 90 -5.065 0.172 7.464 702 HH11 ARG 90 HH11 ARG 90 -6.883 -1.263 10.078 703 HH12 ARG 90 HH12 ARG 90 -7.481 0.254 10.675 704 HH21 ARG 90 HH21 ARG 90 -5.836 2.192 8.257 705 HH22 ARG 90 HH22 ARG 90 -6.879 2.220 9.643 706 H ILE 91 HN ILE 91 -2.687 -4.420 4.991 707 HA ILE 91 HA ILE 91 -3.980 -3.169 2.658 708 HB ILE 91 HB ILE 91 -2.933 -5.973 2.673 709 HG12 ILE 91 HG12 ILE 91 -1.450 -3.495 1.759 710 HG13 ILE 91 HG11 ILE 91 -1.054 -4.435 3.188 711 HG21 ILE 91 HG21 ILE 91 -3.058 -5.776 0.275 712 HG22 ILE 91 HG22 ILE 91 -3.466 -4.069 0.398 713 HG23 ILE 91 HG23 ILE 91 -4.600 -5.292 0.971 714 HD11 ILE 91 HD11 ILE 91 -0.936 -5.447 0.359 715 HD12 ILE 91 HD12 ILE 91 -0.456 -6.325 1.812 716 HD13 ILE 91 HD13 ILE 91 0.440 -4.893 1.311 717 H MET 92 HN MET 92 -6.000 -3.843 2.176 718 HA MET 92 HA MET 92 -7.189 -6.064 3.523 719 HB2 MET 92 HB2 MET 92 -8.932 -4.648 4.672 720 HB3 MET 92 HB1 MET 92 -7.322 -4.671 5.381 721 HG2 MET 92 HG2 MET 92 -6.853 -2.512 4.232 722 HG3 MET 92 HG1 MET 92 -8.528 -2.499 3.682 723 HE1 MET 92 HE1 MET 92 -8.318 0.294 6.465 724 HE2 MET 92 HE2 MET 92 -8.592 -0.035 4.753 725 HE3 MET 92 HE3 MET 92 -6.974 -0.197 5.434 726 H LYS 93 HN LYS 93 -9.441 -6.340 3.041 727 HA LYS 93 HA LYS 93 -9.905 -6.275 0.336 728 HB2 LYS 93 HB2 LYS 93 -11.471 -6.901 2.724 729 HB3 LYS 93 HB1 LYS 93 -12.429 -6.417 1.340 730 HG2 LYS 93 HG2 LYS 93 -11.408 -8.128 -0.020 731 HG3 LYS 93 HG1 LYS 93 -10.362 -8.598 1.324 732 HD2 LYS 93 HD2 LYS 93 -12.297 -9.254 2.630 733 HD3 LYS 93 HD1 LYS 93 -13.375 -8.725 1.336 734 HE2 LYS 93 HE2 LYS 93 -12.356 -10.400 -0.158 735 HE3 LYS 93 HE1 LYS 93 -11.345 -10.950 1.177 736 HZ1 LYS 93 HZ1 LYS 93 -13.359 -11.536 2.392 737 HZ2 LYS 93 HZ2 LYS 93 -13.268 -12.363 0.925 738 HZ3 LYS 93 HZ3 LYS 93 -14.311 -11.041 1.087 739 H GLY 94 HN GLY 94 -11.317 -5.245 -0.990 740 HA2 GLY 94 HA2 GLY 94 -11.103 -2.438 -0.908 741 HA3 GLY 94 HA1 GLY 94 -12.090 -3.360 -2.025 742 H THR 95 HN THR 95 -13.538 -4.558 0.216 743 HA THR 95 HA THR 95 -15.638 -2.617 0.373 744 HB THR 95 HB THR 95 -16.179 -4.988 0.185 745 HG1 THR 95 HG1 THR 95 -17.219 -4.781 2.662 746 HG21 THR 95 HG21 THR 95 -15.837 -6.508 2.108 747 HG22 THR 95 HG22 THR 95 -14.873 -5.254 2.892 748 HG23 THR 95 HG23 THR 95 -14.326 -5.971 1.377 749 H GLU 96 HN GLU 96 -12.865 -3.187 2.187 750 HA GLU 96 HA GLU 96 -14.020 -2.075 4.640 751 HB2 GLU 96 HB2 GLU 96 -12.653 -4.204 4.697 752 HB3 GLU 96 HB1 GLU 96 -11.253 -3.226 4.281 753 HG2 GLU 96 HG2 GLU 96 -11.358 -3.648 6.669 754 HG3 GLU 96 HG1 GLU 96 -11.536 -1.929 6.319 755 H ALA 97 HN ALA 97 -11.333 -1.598 2.367 756 HA ALA 97 HA ALA 97 -10.278 0.677 3.700 757 HB1 ALA 97 HB1 ALA 97 -9.851 -0.232 0.860 758 HB2 ALA 97 HB2 ALA 97 -8.913 -0.746 2.263 759 HB3 ALA 97 HB3 ALA 97 -8.862 0.937 1.736 760 H LYS 98 HN LYS 98 -12.802 0.275 1.420 761 HA LYS 98 HA LYS 98 -12.850 2.746 0.144 762 HB2 LYS 98 HB2 LYS 98 -15.303 2.305 -0.134 763 HB3 LYS 98 HB1 LYS 98 -14.257 0.988 -0.641 764 HG2 LYS 98 HG2 LYS 98 -14.694 -0.176 1.460 765 HG3 LYS 98 HG1 LYS 98 -15.741 1.147 1.973 766 HD2 LYS 98 HD2 LYS 98 -16.204 -0.470 -0.523 767 HD3 LYS 98 HD1 LYS 98 -16.916 -0.869 1.040 768 HE2 LYS 98 HE2 LYS 98 -17.964 1.370 1.092 769 HE3 LYS 98 HE1 LYS 98 -17.311 1.689 -0.512 770 HZ1 LYS 98 HZ1 LYS 98 -19.595 0.975 -0.642 771 HZ2 LYS 98 HZ2 LYS 98 -19.239 -0.454 0.187 772 HZ3 LYS 98 HZ3 LYS 98 -18.593 -0.187 -1.354 773 H GLY 99 HN GLY 99 -14.076 1.819 3.312 774 HA2 GLY 99 HA2 GLY 99 -15.733 4.024 3.771 775 HA3 GLY 99 HA1 GLY 99 -15.024 3.011 5.013 776 H LEU 100 HN LEU 100 -12.269 3.635 4.293 777 HA LEU 100 HA LEU 100 -12.224 6.269 5.577 778 HB2 LEU 100 HB2 LEU 100 -10.084 5.693 6.501 779 HB3 LEU 100 HB1 LEU 100 -11.262 4.467 6.907 780 HG LEU 100 HG LEU 100 -9.552 3.991 4.522 781 HD11 LEU 100 HD11 LEU 100 -8.580 3.671 7.362 782 HD12 LEU 100 HD12 LEU 100 -7.978 4.849 6.197 783 HD13 LEU 100 HD13 LEU 100 -7.744 3.123 5.909 784 HD21 LEU 100 HD21 LEU 100 -10.627 2.273 6.761 785 HD22 LEU 100 HD22 LEU 100 -9.637 1.683 5.429 786 HD23 LEU 100 HD23 LEU 100 -11.234 2.350 5.109 787 H GLY 101 HN GLY 101 -12.070 5.292 2.594 788 HA2 GLY 101 HA2 GLY 101 -9.619 6.422 1.638 789 HA3 GLY 101 HA1 GLY 101 -11.041 6.058 0.666 790 H CYS 102 HN CYS 102 -9.948 8.326 3.152 791 HA CYS 102 HA CYS 102 -11.758 10.334 2.100 792 HB2 CYS 102 HB2 CYS 102 -9.924 10.454 4.496 793 HB3 CYS 102 HB1 CYS 102 -11.162 11.636 4.089 794 HG CYS 102 HG CYS 102 -11.469 9.133 6.050 795 H GLY 103 HN GLY 103 -9.324 9.466 0.656 796 HA2 GLY 103 HA2 GLY 103 -7.811 11.943 0.625 797 HA3 GLY 103 HA1 GLY 103 -7.400 10.465 -0.231 798 H VAL 104 HN VAL 104 -8.835 9.871 -2.055 799 HA VAL 104 HA VAL 104 -9.682 12.288 -3.467 800 HB VAL 104 HB VAL 104 -9.696 10.866 -5.523 801 HG11 VAL 104 HG11 VAL 104 -7.793 12.285 -4.995 802 HG12 VAL 104 HG12 VAL 104 -7.258 10.785 -5.752 803 HG13 VAL 104 HG13 VAL 104 -7.092 11.001 -4.010 804 HG21 VAL 104 HG21 VAL 104 -8.390 8.831 -3.722 805 HG22 VAL 104 HG22 VAL 104 -8.558 8.712 -5.473 806 HG23 VAL 104 HG23 VAL 104 -9.991 8.692 -4.446 807 H GLY 105 HN GLY 105 -11.137 10.632 -1.413 808 HA2 GLY 105 HA2 GLY 105 -13.376 10.503 -0.927 809 HA3 GLY 105 HA1 GLY 105 -13.708 11.157 -2.519 810 H SER 106 HN SER 106 -12.881 8.152 -0.802 811 HA SER 106 HA SER 106 -14.070 6.605 -2.964 812 HB2 SER 106 HB2 SER 106 -12.090 5.686 -1.889 813 HB3 SER 106 HB1 SER 106 -12.880 5.744 -0.315 814 HG SER 106 HG SER 106 -14.088 4.308 -2.415 815 H HIS 107 HN HIS 107 -16.223 6.778 -3.047 816 HA HIS 107 HA HIS 107 -17.734 6.496 -0.536 817 HB2 HIS 107 HB2 HIS 107 -18.445 7.913 -3.104 818 HB3 HIS 107 HB1 HIS 107 -19.641 7.530 -1.872 819 HD1 HIS 107 HD1 HIS 107 -20.049 9.366 -0.276 820 HD2 HIS 107 HD2 HIS 107 -16.221 9.550 -1.880 821 HE1 HIS 107 HE1 HIS 107 -19.022 11.454 0.668 822 HE2 HIS 107 HE2 HIS 107 -16.646 11.438 -0.165 Start of MODEL 8 1 H1 HIS 1 HT1 HIS 1 23.430 -10.353 5.254 2 H2 HIS 1 HT2 HIS 1 22.650 -9.389 6.402 3 H3 HIS 1 HT3 HIS 1 23.925 -10.390 6.870 4 HA HIS 1 HA HIS 1 24.628 -8.093 6.743 5 HB2 HIS 1 HB2 HIS 1 25.779 -9.983 4.687 6 HB3 HIS 1 HB1 HIS 1 26.515 -8.433 5.072 7 HD1 HIS 1 HD1 HIS 1 27.138 -8.175 7.743 8 HD2 HIS 1 HD2 HIS 1 26.667 -12.017 6.231 9 HE1 HIS 1 HE1 HIS 1 28.263 -9.695 9.396 10 HE2 HIS 1 HE2 HIS 1 28.100 -11.993 8.380 11 H GLU 2 HN GLU 2 22.166 -8.485 4.927 12 HA GLU 2 HA GLU 2 22.974 -6.688 2.760 13 HB2 GLU 2 HB2 GLU 2 21.875 -8.792 2.105 14 HB3 GLU 2 HB1 GLU 2 20.467 -8.345 3.056 15 HG2 GLU 2 HG2 GLU 2 19.926 -6.570 1.607 16 HG3 GLU 2 HG1 GLU 2 21.492 -6.656 0.799 17 H ALA 3 HN ALA 3 22.909 -4.704 3.633 18 HA ALA 3 HA ALA 3 20.335 -3.816 4.749 19 HB1 ALA 3 HB1 ALA 3 21.557 -2.012 5.838 20 HB2 ALA 3 HB2 ALA 3 23.061 -2.573 5.108 21 HB3 ALA 3 HB3 ALA 3 22.228 -3.577 6.295 22 H ASP 4 HN ASP 4 22.085 -3.856 1.987 23 HA ASP 4 HA ASP 4 21.414 -1.143 1.142 24 HB2 ASP 4 HB2 ASP 4 23.650 -2.033 0.580 25 HB3 ASP 4 HB1 ASP 4 22.892 -3.328 -0.342 26 H VAL 5 HN VAL 5 19.991 -0.699 -0.541 27 HA VAL 5 HA VAL 5 17.995 -0.891 -1.605 28 HB VAL 5 HB VAL 5 18.815 -3.776 -2.017 29 HG11 VAL 5 HG11 VAL 5 16.421 -3.466 -2.340 30 HG12 VAL 5 HG12 VAL 5 17.226 -3.749 -3.883 31 HG13 VAL 5 HG13 VAL 5 16.732 -2.118 -3.433 32 HG21 VAL 5 HG21 VAL 5 19.149 -1.362 -3.793 33 HG22 VAL 5 HG22 VAL 5 19.543 -3.022 -4.236 34 HG23 VAL 5 HG23 VAL 5 20.437 -2.217 -2.946 35 H GLY 6 HN GLY 6 16.789 -0.476 0.213 36 HA2 GLY 6 HA2 GLY 6 14.864 -1.227 1.475 37 HA3 GLY 6 HA1 GLY 6 15.604 -2.827 1.531 38 H GLY 7 HN GLY 7 14.668 -0.924 3.662 39 HA2 GLY 7 HA2 GLY 7 16.608 -1.502 5.598 40 HA3 GLY 7 HA1 GLY 7 16.904 0.138 5.027 41 H ILE 8 HN ILE 8 13.841 -0.036 4.451 42 HA ILE 8 HA ILE 8 13.013 0.801 7.144 43 HB ILE 8 HB ILE 8 12.040 1.704 4.420 44 HG12 ILE 8 HG12 ILE 8 12.568 3.960 5.320 45 HG13 ILE 8 HG11 ILE 8 13.277 3.205 6.734 46 HG21 ILE 8 HG21 ILE 8 10.876 2.316 7.122 47 HG22 ILE 8 HG22 ILE 8 10.113 1.385 5.833 48 HG23 ILE 8 HG23 ILE 8 10.423 3.108 5.616 49 HD11 ILE 8 HD11 ILE 8 14.979 2.197 5.345 50 HD12 ILE 8 HD12 ILE 8 14.935 3.943 5.100 51 HD13 ILE 8 HD13 ILE 8 14.218 2.866 3.904 52 H PHE 9 HN PHE 9 12.020 -0.916 7.997 53 HA PHE 9 HA PHE 9 10.579 -2.722 6.234 54 HB2 PHE 9 HB2 PHE 9 11.306 -3.012 9.156 55 HB3 PHE 9 HB1 PHE 9 10.570 -4.259 8.151 56 HD1 PHE 9 HD2 PHE 9 11.854 -5.054 6.109 57 HD2 PHE 9 HD1 PHE 9 13.632 -2.762 9.224 58 HE1 PHE 9 HE2 PHE 9 14.084 -5.779 5.365 59 HE2 PHE 9 HE1 PHE 9 15.865 -3.479 8.482 60 HZ PHE 9 HZ PHE 9 16.091 -4.991 6.551 61 H VAL 10 HN VAL 10 8.470 -2.884 6.153 62 HA VAL 10 HA VAL 10 6.917 -1.172 7.976 63 HB VAL 10 HB VAL 10 5.668 -2.011 5.469 64 HG11 VAL 10 HG11 VAL 10 4.783 0.230 5.463 65 HG12 VAL 10 HG12 VAL 10 5.862 0.677 6.790 66 HG13 VAL 10 HG13 VAL 10 4.585 -0.512 7.053 67 HG21 VAL 10 HG21 VAL 10 6.785 -0.317 4.088 68 HG22 VAL 10 HG22 VAL 10 7.905 -1.571 4.619 69 HG23 VAL 10 HG23 VAL 10 7.907 0.006 5.410 70 H LYS 11 HN LYS 11 5.108 -1.973 8.835 71 HA LYS 11 HA LYS 11 4.778 -4.881 8.694 72 HB2 LYS 11 HB2 LYS 11 3.585 -2.906 10.659 73 HB3 LYS 11 HB1 LYS 11 3.512 -4.656 10.771 74 HG2 LYS 11 HG2 LYS 11 5.919 -4.759 11.092 75 HG3 LYS 11 HG1 LYS 11 6.028 -3.007 10.922 76 HD2 LYS 11 HD2 LYS 11 4.472 -4.450 13.067 77 HD3 LYS 11 HD1 LYS 11 6.075 -3.745 13.279 78 HE2 LYS 11 HE2 LYS 11 5.194 -1.534 12.797 79 HE3 LYS 11 HE1 LYS 11 3.598 -2.213 12.485 80 HZ1 LYS 11 HZ1 LYS 11 3.497 -2.936 14.788 81 HZ2 LYS 11 HZ2 LYS 11 3.730 -1.264 14.696 82 HZ3 LYS 11 HZ3 LYS 11 5.025 -2.277 15.087 83 H VAL 12 HN VAL 12 3.046 -5.686 7.673 84 HA VAL 12 HA VAL 12 0.836 -3.863 7.031 85 HB VAL 12 HB VAL 12 1.419 -4.038 4.864 86 HG11 VAL 12 HG11 VAL 12 3.144 -6.381 5.626 87 HG12 VAL 12 HG12 VAL 12 3.644 -4.703 5.381 88 HG13 VAL 12 HG13 VAL 12 3.078 -5.664 4.014 89 HG21 VAL 12 HG21 VAL 12 -0.470 -5.587 4.825 90 HG22 VAL 12 HG22 VAL 12 0.617 -6.937 5.149 91 HG23 VAL 12 HG23 VAL 12 0.743 -6.051 3.629 92 H SER 13 HN SER 13 -1.073 -4.525 7.638 93 HA SER 13 HA SER 13 -1.417 -7.336 8.423 94 HB2 SER 13 HB2 SER 13 -2.908 -4.905 9.446 95 HB3 SER 13 HB1 SER 13 -3.073 -6.558 10.034 96 HG SER 13 HG SER 13 -1.693 -5.327 11.368 97 H MET 14 HN MET 14 -3.219 -8.435 7.706 98 HA MET 14 HA MET 14 -4.613 -7.176 5.471 99 HB2 MET 14 HB2 MET 14 -4.338 -10.071 6.285 100 HB3 MET 14 HB1 MET 14 -5.349 -9.524 4.955 101 HG2 MET 14 HG2 MET 14 -2.364 -9.365 5.176 102 HG3 MET 14 HG1 MET 14 -3.306 -10.312 4.047 103 HE1 MET 14 HE1 MET 14 -5.119 -9.145 2.486 104 HE2 MET 14 HE2 MET 14 -4.966 -7.498 1.876 105 HE3 MET 14 HE3 MET 14 -5.594 -7.776 3.501 106 H ASP 15 HN ASP 15 -6.583 -6.437 5.737 107 HA ASP 15 HA ASP 15 -8.233 -7.526 7.905 108 HB2 ASP 15 HB2 ASP 15 -8.099 -4.869 6.575 109 HB3 ASP 15 HB1 ASP 15 -9.685 -5.421 7.101 110 H GLY 16 HN GLY 16 -9.983 -8.657 7.506 111 HA2 GLY 16 HA2 GLY 16 -11.952 -9.200 6.273 112 HA3 GLY 16 HA1 GLY 16 -11.142 -8.667 4.807 113 H ALA 17 HN ALA 17 -8.682 -10.052 5.298 114 HA ALA 17 HA ALA 17 -9.460 -12.864 5.556 115 HB1 ALA 17 HB1 ALA 17 -8.028 -13.494 3.679 116 HB2 ALA 17 HB2 ALA 17 -7.714 -11.789 3.348 117 HB3 ALA 17 HB3 ALA 17 -9.343 -12.438 3.164 118 HA PRO 18 HA PRO 18 -5.892 -12.814 8.180 119 HB2 PRO 18 HB2 PRO 18 -5.598 -15.456 8.583 120 HB3 PRO 18 HB1 PRO 18 -6.961 -14.554 9.257 121 HG2 PRO 18 HG2 PRO 18 -6.862 -16.278 6.813 122 HG3 PRO 18 HG1 PRO 18 -8.102 -16.196 8.058 123 HD2 PRO 18 HD2 PRO 18 -8.298 -14.945 5.644 124 HD3 PRO 18 HD1 PRO 18 -9.101 -14.362 7.112 125 H TYR 19 HN TYR 19 -3.879 -12.391 7.549 126 HA TYR 19 HA TYR 19 -2.284 -14.467 6.296 127 HB2 TYR 19 HB2 TYR 19 -2.427 -11.684 5.109 128 HB3 TYR 19 HB1 TYR 19 -1.251 -12.907 4.666 129 HD1 TYR 19 HD1 TYR 19 -2.071 -15.003 3.508 130 HD2 TYR 19 HD2 TYR 19 -4.526 -11.582 4.092 131 HE1 TYR 19 HE1 TYR 19 -3.573 -15.789 1.727 132 HE2 TYR 19 HE2 TYR 19 -6.040 -12.361 2.313 133 HH TYR 19 HH TYR 19 -5.948 -15.493 1.065 134 H LEU 20 HN LEU 20 0.074 -13.855 6.386 135 HA LEU 20 HA LEU 20 0.616 -11.547 8.121 136 HB2 LEU 20 HB2 LEU 20 1.916 -14.258 8.385 137 HB3 LEU 20 HB1 LEU 20 2.354 -12.823 9.290 138 HG LEU 20 HG LEU 20 -0.370 -14.110 9.445 139 HD11 LEU 20 HD11 LEU 20 0.368 -15.094 11.546 140 HD12 LEU 20 HD12 LEU 20 1.991 -14.454 11.292 141 HD13 LEU 20 HD13 LEU 20 1.346 -15.680 10.201 142 HD21 LEU 20 HD21 LEU 20 1.042 -12.098 11.202 143 HD22 LEU 20 HD22 LEU 20 -0.544 -12.802 11.516 144 HD23 LEU 20 HD23 LEU 20 -0.302 -11.767 10.108 145 H ARG 21 HN ARG 21 1.460 -10.279 6.560 146 HA ARG 21 HA ARG 21 3.992 -11.192 5.364 147 HB2 ARG 21 HB2 ARG 21 1.762 -9.644 4.066 148 HB3 ARG 21 HB1 ARG 21 3.412 -9.484 3.498 149 HG2 ARG 21 HG2 ARG 21 2.382 -11.052 2.086 150 HG3 ARG 21 HG1 ARG 21 3.417 -11.987 3.165 151 HD2 ARG 21 HD2 ARG 21 1.463 -12.530 4.543 152 HD3 ARG 21 HD1 ARG 21 0.439 -11.606 3.446 153 HE ARG 21 HE ARG 21 0.801 -13.257 1.767 154 HH11 ARG 21 HH11 ARG 21 2.210 -14.096 4.870 155 HH12 ARG 21 HH12 ARG 21 2.217 -15.800 4.544 156 HH21 ARG 21 HH21 ARG 21 0.806 -15.509 1.351 157 HH22 ARG 21 HH22 ARG 21 1.433 -16.599 2.546 158 H LYS 22 HN LYS 22 5.713 -9.807 5.668 159 HA LYS 22 HA LYS 22 5.102 -6.981 6.230 160 HB2 LYS 22 HB2 LYS 22 7.370 -8.499 7.540 161 HB3 LYS 22 HB1 LYS 22 6.945 -6.815 7.796 162 HG2 LYS 22 HG2 LYS 22 5.252 -9.179 8.583 163 HG3 LYS 22 HG1 LYS 22 6.269 -8.217 9.651 164 HD2 LYS 22 HD2 LYS 22 4.923 -6.371 9.517 165 HD3 LYS 22 HD1 LYS 22 4.125 -6.922 8.042 166 HE2 LYS 22 HE2 LYS 22 3.857 -8.225 10.747 167 HE3 LYS 22 HE1 LYS 22 2.711 -7.059 10.085 168 HZ1 LYS 22 HZ1 LYS 22 3.385 -9.708 8.940 169 HZ2 LYS 22 HZ2 LYS 22 2.356 -8.576 8.214 170 HZ3 LYS 22 HZ3 LYS 22 1.937 -9.279 9.697 171 H ILE 23 HN ILE 23 6.585 -5.502 5.276 172 HA ILE 23 HA ILE 23 8.545 -6.649 3.452 173 HB ILE 23 HB ILE 23 7.598 -5.206 1.585 174 HG12 ILE 23 HG12 ILE 23 5.270 -5.255 3.483 175 HG13 ILE 23 HG11 ILE 23 6.060 -3.856 2.790 176 HG21 ILE 23 HG21 ILE 23 7.535 -7.602 1.513 177 HG22 ILE 23 HG22 ILE 23 6.018 -6.947 0.893 178 HG23 ILE 23 HG23 ILE 23 6.085 -7.628 2.518 179 HD11 ILE 23 HD11 ILE 23 4.460 -5.864 1.230 180 HD12 ILE 23 HD12 ILE 23 5.175 -4.373 0.613 181 HD13 ILE 23 HD13 ILE 23 3.864 -4.303 1.795 182 H ASP 24 HN ASP 24 9.511 -4.867 2.079 183 HA ASP 24 HA ASP 24 10.080 -2.512 3.774 184 HB2 ASP 24 HB2 ASP 24 12.091 -3.796 3.686 185 HB3 ASP 24 HB1 ASP 24 11.906 -4.099 1.961 186 H LEU 25 HN LEU 25 10.264 -0.514 2.752 187 HA LEU 25 HA LEU 25 8.470 -0.197 0.549 188 HB2 LEU 25 HB2 LEU 25 10.244 1.803 1.898 189 HB3 LEU 25 HB1 LEU 25 8.995 2.200 0.747 190 HG LEU 25 HG LEU 25 8.396 0.826 3.362 191 HD11 LEU 25 HD11 LEU 25 7.837 3.004 4.271 192 HD12 LEU 25 HD12 LEU 25 8.355 3.784 2.776 193 HD13 LEU 25 HD13 LEU 25 9.533 2.959 3.797 194 HD21 LEU 25 HD21 LEU 25 6.732 2.357 1.366 195 HD22 LEU 25 HD22 LEU 25 6.162 1.882 2.969 196 HD23 LEU 25 HD23 LEU 25 6.603 0.646 1.783 197 H ARG 26 HN ARG 26 11.966 -0.011 0.942 198 HA ARG 26 HA ARG 26 12.283 1.476 -1.506 199 HB2 ARG 26 HB2 ARG 26 14.460 0.375 0.241 200 HB3 ARG 26 HB1 ARG 26 14.551 1.701 -0.912 201 HG2 ARG 26 HG2 ARG 26 12.854 2.884 0.507 202 HG3 ARG 26 HG1 ARG 26 13.133 1.646 1.725 203 HD2 ARG 26 HD2 ARG 26 15.182 3.539 0.583 204 HD3 ARG 26 HD1 ARG 26 14.457 3.623 2.187 205 HE ARG 26 HE ARG 26 15.748 1.123 1.739 206 HH11 ARG 26 HH11 ARG 26 16.315 4.469 2.576 207 HH12 ARG 26 HH12 ARG 26 17.815 4.154 3.386 208 HH21 ARG 26 HH21 ARG 26 17.749 0.695 2.805 209 HH22 ARG 26 HH22 ARG 26 18.629 2.012 3.514 210 H VAL 27 HN VAL 27 12.467 -1.847 -0.583 211 HA VAL 27 HA VAL 27 14.334 -2.770 -2.460 212 HB VAL 27 HB VAL 27 13.251 -4.991 -2.246 213 HG11 VAL 27 HG11 VAL 27 13.684 -3.537 0.357 214 HG12 VAL 27 HG12 VAL 27 14.936 -4.274 -0.642 215 HG13 VAL 27 HG13 VAL 27 13.716 -5.285 0.131 216 HG21 VAL 27 HG21 VAL 27 10.933 -4.277 -2.066 217 HG22 VAL 27 HG22 VAL 27 11.273 -3.523 -0.508 218 HG23 VAL 27 HG23 VAL 27 11.389 -5.274 -0.684 219 H TYR 28 HN TYR 28 11.256 -1.476 -3.054 220 HA TYR 28 HA TYR 28 10.887 -2.979 -5.525 221 HB2 TYR 28 HB2 TYR 28 9.208 -0.711 -4.448 222 HB3 TYR 28 HB1 TYR 28 8.758 -1.873 -5.693 223 HD1 TYR 28 HD2 TYR 28 9.233 -4.431 -4.755 224 HD2 TYR 28 HD1 TYR 28 8.112 -1.032 -2.462 225 HE1 TYR 28 HE2 TYR 28 8.290 -5.912 -3.040 226 HE2 TYR 28 HE1 TYR 28 7.158 -2.508 -0.737 227 HH TYR 28 HH TYR 28 7.705 -5.902 -0.734 228 H GLY 29 HN GLY 29 11.922 0.122 -4.398 229 HA2 GLY 29 HA2 GLY 29 12.947 1.885 -5.426 230 HA3 GLY 29 HA1 GLY 29 13.391 0.746 -6.683 231 H GLY 30 HN GLY 30 10.015 1.097 -6.208 232 HA2 GLY 30 HA2 GLY 30 9.287 3.308 -7.630 233 HA3 GLY 30 HA1 GLY 30 9.743 2.143 -8.862 234 H TYR 31 HN TYR 31 7.283 2.942 -9.050 235 HA TYR 31 HA TYR 31 5.381 1.651 -7.393 236 HB2 TYR 31 HB2 TYR 31 5.062 2.832 -10.155 237 HB3 TYR 31 HB1 TYR 31 3.736 2.336 -9.107 238 HD1 TYR 31 HD1 TYR 31 4.279 3.343 -6.545 239 HD2 TYR 31 HD2 TYR 31 5.206 5.117 -10.292 240 HE1 TYR 31 HE1 TYR 31 4.283 5.557 -5.487 241 HE2 TYR 31 HE2 TYR 31 5.210 7.339 -9.246 242 HH TYR 31 HH TYR 31 4.127 8.404 -7.195 243 H SER 32 HN SER 32 6.993 0.712 -10.369 244 HA SER 32 HA SER 32 5.151 -1.188 -11.271 245 HB2 SER 32 HB2 SER 32 8.154 -1.222 -11.585 246 HB3 SER 32 HB1 SER 32 7.009 -2.179 -12.527 247 HG SER 32 HG SER 32 6.153 0.281 -12.694 248 H GLU 33 HN GLU 33 8.065 -1.724 -9.296 249 HA GLU 33 HA GLU 33 7.372 -4.450 -8.821 250 HB2 GLU 33 HB2 GLU 33 9.458 -2.640 -7.633 251 HB3 GLU 33 HB1 GLU 33 9.259 -4.318 -7.146 252 HG2 GLU 33 HG2 GLU 33 9.661 -5.038 -9.441 253 HG3 GLU 33 HG1 GLU 33 9.843 -3.357 -9.936 254 H LEU 34 HN LEU 34 6.752 -1.434 -7.189 255 HA LEU 34 HA LEU 34 5.945 -2.395 -4.682 256 HB2 LEU 34 HB2 LEU 34 6.147 -0.028 -5.040 257 HB3 LEU 34 HB1 LEU 34 4.963 -0.071 -6.333 258 HG LEU 34 HG LEU 34 3.343 -0.908 -4.476 259 HD11 LEU 34 HD11 LEU 34 3.828 -0.073 -2.264 260 HD12 LEU 34 HD12 LEU 34 5.394 0.527 -2.807 261 HD13 LEU 34 HD13 LEU 34 5.077 -1.208 -2.775 262 HD21 LEU 34 HD21 LEU 34 2.722 1.400 -3.979 263 HD22 LEU 34 HD22 LEU 34 3.101 1.184 -5.687 264 HD23 LEU 34 HD23 LEU 34 4.266 1.956 -4.617 265 H LEU 35 HN LEU 35 3.992 -1.706 -7.559 266 HA LEU 35 HA LEU 35 1.579 -2.719 -6.521 267 HB2 LEU 35 HB2 LEU 35 2.505 -2.262 -9.355 268 HB3 LEU 35 HB1 LEU 35 0.854 -2.603 -8.892 269 HG LEU 35 HG LEU 35 2.387 -0.206 -7.898 270 HD11 LEU 35 HD11 LEU 35 1.131 1.116 -9.510 271 HD12 LEU 35 HD12 LEU 35 0.424 -0.358 -10.177 272 HD13 LEU 35 HD13 LEU 35 2.158 -0.068 -10.318 273 HD21 LEU 35 HD21 LEU 35 0.545 -0.849 -6.469 274 HD22 LEU 35 HD22 LEU 35 -0.545 -0.902 -7.854 275 HD23 LEU 35 HD23 LEU 35 0.147 0.635 -7.334 276 H LYS 36 HN LYS 36 4.177 -4.096 -8.350 277 HA LYS 36 HA LYS 36 2.952 -6.557 -9.023 278 HB2 LYS 36 HB2 LYS 36 5.038 -5.461 -10.038 279 HB3 LYS 36 HB1 LYS 36 5.910 -6.108 -8.660 280 HG2 LYS 36 HG2 LYS 36 6.156 -7.530 -10.601 281 HG3 LYS 36 HG1 LYS 36 5.284 -8.371 -9.313 282 HD2 LYS 36 HD2 LYS 36 3.165 -7.889 -10.427 283 HD3 LYS 36 HD1 LYS 36 4.023 -7.014 -11.695 284 HE2 LYS 36 HE2 LYS 36 5.179 -9.073 -12.326 285 HE3 LYS 36 HE1 LYS 36 4.322 -9.945 -11.054 286 HZ1 LYS 36 HZ1 LYS 36 2.238 -9.447 -12.159 287 HZ2 LYS 36 HZ2 LYS 36 3.280 -10.255 -13.215 288 HZ3 LYS 36 HZ3 LYS 36 3.047 -8.588 -13.369 289 H ALA 37 HN ALA 37 4.773 -5.402 -6.269 290 HA ALA 37 HA ALA 37 5.245 -7.871 -5.007 291 HB1 ALA 37 HB1 ALA 37 4.890 -5.160 -3.747 292 HB2 ALA 37 HB2 ALA 37 6.399 -5.802 -4.397 293 HB3 ALA 37 HB3 ALA 37 5.642 -6.567 -2.999 294 H LEU 38 HN LEU 38 2.536 -5.627 -4.877 295 HA LEU 38 HA LEU 38 1.122 -6.833 -2.757 296 HB2 LEU 38 HB2 LEU 38 -0.484 -5.760 -4.987 297 HB3 LEU 38 HB1 LEU 38 -0.585 -5.437 -3.266 298 HG LEU 38 HG LEU 38 1.623 -4.306 -4.947 299 HD11 LEU 38 HD11 LEU 38 -1.148 -3.242 -4.512 300 HD12 LEU 38 HD12 LEU 38 -0.338 -3.581 -6.041 301 HD13 LEU 38 HD13 LEU 38 0.207 -2.241 -5.028 302 HD21 LEU 38 HD21 LEU 38 1.920 -4.240 -2.524 303 HD22 LEU 38 HD22 LEU 38 0.357 -3.441 -2.348 304 HD23 LEU 38 HD23 LEU 38 1.680 -2.620 -3.179 305 H GLU 39 HN GLU 39 0.796 -7.155 -6.260 306 HA GLU 39 HA GLU 39 -0.920 -9.311 -6.417 307 HB2 GLU 39 HB2 GLU 39 1.492 -8.771 -8.159 308 HB3 GLU 39 HB1 GLU 39 0.146 -9.825 -8.576 309 HG2 GLU 39 HG2 GLU 39 -1.363 -7.877 -8.445 310 HG3 GLU 39 HG1 GLU 39 0.040 -6.851 -8.155 311 H THR 40 HN THR 40 2.437 -9.241 -5.508 312 HA THR 40 HA THR 40 2.829 -12.078 -5.615 313 HB THR 40 HB THR 40 4.379 -9.840 -4.319 314 HG1 THR 40 HG1 THR 40 4.336 -10.109 -6.683 315 HG21 THR 40 HG21 THR 40 6.169 -11.458 -3.921 316 HG22 THR 40 HG22 THR 40 5.123 -12.758 -4.494 317 HG23 THR 40 HG23 THR 40 4.706 -11.874 -3.021 318 H MET 41 HN MET 41 1.957 -9.731 -3.133 319 HA MET 41 HA MET 41 2.597 -11.158 -0.851 320 HB2 MET 41 HB2 MET 41 0.299 -9.223 -1.235 321 HB3 MET 41 HB1 MET 41 1.004 -9.677 0.307 322 HG2 MET 41 HG2 MET 41 2.753 -8.485 -1.777 323 HG3 MET 41 HG1 MET 41 1.650 -7.439 -0.888 324 HE1 MET 41 HE1 MET 41 1.507 -8.289 1.974 325 HE2 MET 41 HE2 MET 41 1.958 -6.658 1.475 326 HE3 MET 41 HE3 MET 41 2.911 -7.500 2.695 327 H PHE 42 HN PHE 42 -0.641 -10.818 -2.274 328 HA PHE 42 HA PHE 42 -1.434 -13.307 -0.921 329 HB2 PHE 42 HB2 PHE 42 -3.721 -11.957 -1.943 330 HB3 PHE 42 HB1 PHE 42 -3.259 -12.183 -0.257 331 HD1 PHE 42 HD1 PHE 42 -3.169 -9.898 -3.120 332 HD2 PHE 42 HD2 PHE 42 -2.186 -10.434 0.987 333 HE1 PHE 42 HE1 PHE 42 -2.741 -7.490 -2.912 334 HE2 PHE 42 HE2 PHE 42 -1.757 -8.021 1.201 335 HZ PHE 42 HZ PHE 42 -2.032 -6.565 -0.760 336 H LYS 43 HN LYS 43 -0.279 -12.430 -3.716 337 HA LYS 43 HA LYS 43 -0.150 -13.393 -5.747 338 HB2 LYS 43 HB2 LYS 43 -1.657 -15.656 -4.425 339 HB3 LYS 43 HB1 LYS 43 -0.782 -15.757 -5.949 340 HG2 LYS 43 HG2 LYS 43 0.836 -16.565 -4.583 341 HG3 LYS 43 HG1 LYS 43 1.192 -14.848 -4.421 342 HD2 LYS 43 HD2 LYS 43 -0.353 -14.863 -2.413 343 HD3 LYS 43 HD1 LYS 43 -0.287 -16.623 -2.506 344 HE2 LYS 43 HE2 LYS 43 2.073 -14.771 -2.180 345 HE3 LYS 43 HE1 LYS 43 1.349 -15.755 -0.911 346 HZ1 LYS 43 HZ1 LYS 43 2.711 -16.754 -3.350 347 HZ2 LYS 43 HZ2 LYS 43 1.939 -17.732 -2.206 348 HZ3 LYS 43 HZ3 LYS 43 3.298 -16.828 -1.764 349 H LEU 44 HN LEU 44 -2.205 -11.555 -5.433 350 HA LEU 44 HA LEU 44 -3.941 -12.453 -7.589 351 HB2 LEU 44 HB2 LEU 44 -5.869 -11.248 -6.475 352 HB3 LEU 44 HB1 LEU 44 -5.432 -12.816 -5.850 353 HG LEU 44 HG LEU 44 -4.003 -11.341 -4.165 354 HD11 LEU 44 HD11 LEU 44 -5.180 -9.300 -3.572 355 HD12 LEU 44 HD12 LEU 44 -6.289 -9.538 -4.923 356 HD13 LEU 44 HD13 LEU 44 -4.581 -9.227 -5.229 357 HD21 LEU 44 HD21 LEU 44 -5.866 -11.460 -2.598 358 HD22 LEU 44 HD22 LEU 44 -5.712 -12.947 -3.537 359 HD23 LEU 44 HD23 LEU 44 -6.972 -11.780 -3.935 360 H THR 45 HN THR 45 -5.153 -10.531 -8.522 361 HA THR 45 HA THR 45 -2.960 -8.780 -9.240 362 HB THR 45 HB THR 45 -5.688 -8.980 -10.513 363 HG1 THR 45 HG1 THR 45 -4.205 -10.225 -12.076 364 HG21 THR 45 HG21 THR 45 -4.433 -6.940 -11.076 365 HG22 THR 45 HG22 THR 45 -4.576 -8.017 -12.464 366 HG23 THR 45 HG23 THR 45 -3.060 -7.930 -11.569 367 H ILE 46 HN ILE 46 -2.764 -7.111 -7.764 368 HA ILE 46 HA ILE 46 -4.981 -5.293 -7.380 369 HB ILE 46 HB ILE 46 -2.104 -4.729 -6.686 370 HG12 ILE 46 HG12 ILE 46 -2.560 -6.878 -5.682 371 HG13 ILE 46 HG11 ILE 46 -2.628 -5.650 -4.419 372 HG21 ILE 46 HG21 ILE 46 -3.198 -3.409 -4.863 373 HG22 ILE 46 HG22 ILE 46 -4.755 -3.766 -5.618 374 HG23 ILE 46 HG23 ILE 46 -3.543 -2.830 -6.493 375 HD11 ILE 46 HD11 ILE 46 -4.971 -6.928 -5.791 376 HD12 ILE 46 HD12 ILE 46 -5.071 -5.653 -4.576 377 HD13 ILE 46 HD13 ILE 46 -4.415 -7.233 -4.146 378 H GLY 47 HN GLY 47 -4.958 -3.104 -8.159 379 HA2 GLY 47 HA2 GLY 47 -3.427 -2.814 -10.669 380 HA3 GLY 47 HA1 GLY 47 -5.073 -2.245 -10.459 381 H GLU 48 HN GLU 48 -4.258 -0.209 -11.194 382 HA GLU 48 HA GLU 48 -2.293 1.164 -9.553 383 HB2 GLU 48 HB2 GLU 48 -3.727 2.084 -12.042 384 HB3 GLU 48 HB1 GLU 48 -2.369 2.888 -11.269 385 HG2 GLU 48 HG2 GLU 48 -0.949 0.960 -11.741 386 HG3 GLU 48 HG1 GLU 48 -2.310 0.152 -12.519 387 H TYR 49 HN TYR 49 -2.684 3.516 -9.183 388 HA TYR 49 HA TYR 49 -4.923 3.894 -7.467 389 HB2 TYR 49 HB2 TYR 49 -2.588 4.849 -7.189 390 HB3 TYR 49 HB1 TYR 49 -2.962 5.968 -8.489 391 HD1 TYR 49 HD2 TYR 49 -4.495 7.836 -8.116 392 HD2 TYR 49 HD1 TYR 49 -3.556 5.116 -4.984 393 HE1 TYR 49 HE2 TYR 49 -5.387 9.429 -6.471 394 HE2 TYR 49 HE1 TYR 49 -4.457 6.700 -3.320 395 HH TYR 49 HH TYR 49 -4.769 9.262 -3.223 396 H SER 50 HN SER 50 -6.635 3.522 -9.060 397 HA SER 50 HA SER 50 -7.222 5.147 -11.237 398 HB2 SER 50 HB2 SER 50 -9.230 4.030 -9.298 399 HB3 SER 50 HB1 SER 50 -9.492 4.404 -10.994 400 HG SER 50 HG SER 50 -7.532 2.783 -11.115 401 H GLU 51 HN GLU 51 -7.377 7.339 -11.257 402 HA GLU 51 HA GLU 51 -7.082 8.818 -8.916 403 HB2 GLU 51 HB2 GLU 51 -7.513 10.793 -10.364 404 HB3 GLU 51 HB1 GLU 51 -6.299 9.687 -10.986 405 HG2 GLU 51 HG2 GLU 51 -7.977 8.724 -12.492 406 HG3 GLU 51 HG1 GLU 51 -9.160 9.883 -11.892 407 H ARG 52 HN ARG 52 -9.958 7.819 -10.529 408 HA ARG 52 HA ARG 52 -11.712 9.803 -9.704 409 HB2 ARG 52 HB2 ARG 52 -13.503 8.189 -10.191 410 HB3 ARG 52 HB1 ARG 52 -12.282 8.278 -11.450 411 HG2 ARG 52 HG2 ARG 52 -12.578 6.037 -11.359 412 HG3 ARG 52 HG1 ARG 52 -11.289 6.209 -10.171 413 HD2 ARG 52 HD2 ARG 52 -12.799 6.033 -8.363 414 HD3 ARG 52 HD1 ARG 52 -14.198 6.210 -9.425 415 HE ARG 52 HE ARG 52 -12.414 3.868 -9.559 416 HH11 ARG 52 HH11 ARG 52 -15.618 5.272 -9.406 417 HH12 ARG 52 HH12 ARG 52 -16.428 3.750 -9.606 418 HH21 ARG 52 HH21 ARG 52 -13.471 1.871 -9.833 419 HH22 ARG 52 HH22 ARG 52 -15.205 1.815 -9.864 420 H GLU 53 HN GLU 53 -11.098 6.675 -8.006 421 HA GLU 53 HA GLU 53 -12.026 8.079 -5.593 422 HB2 GLU 53 HB2 GLU 53 -12.209 5.137 -6.215 423 HB3 GLU 53 HB1 GLU 53 -12.467 5.809 -4.609 424 HG2 GLU 53 HG2 GLU 53 -14.289 7.168 -5.475 425 HG3 GLU 53 HG1 GLU 53 -14.041 6.455 -7.065 426 H GLY 54 HN GLY 54 -9.664 6.205 -7.130 427 HA2 GLY 54 HA2 GLY 54 -7.537 5.610 -6.729 428 HA3 GLY 54 HA1 GLY 54 -7.477 7.051 -5.739 429 H TYR 55 HN TYR 55 -9.720 4.815 -4.445 430 HA TYR 55 HA TYR 55 -7.559 3.668 -2.830 431 HB2 TYR 55 HB2 TYR 55 -10.192 4.604 -1.716 432 HB3 TYR 55 HB1 TYR 55 -8.862 3.890 -0.808 433 HD1 TYR 55 HD2 TYR 55 -6.492 5.244 -1.889 434 HD2 TYR 55 HD1 TYR 55 -10.363 6.805 -1.029 435 HE1 TYR 55 HE2 TYR 55 -5.531 7.464 -1.627 436 HE2 TYR 55 HE1 TYR 55 -9.401 9.040 -0.758 437 HH TYR 55 HH TYR 55 -6.272 9.839 -1.757 438 H LYS 56 HN LYS 56 -9.569 2.760 -5.047 439 HA LYS 56 HA LYS 56 -10.670 0.436 -3.811 440 HB2 LYS 56 HB2 LYS 56 -10.686 -0.364 -6.332 441 HB3 LYS 56 HB1 LYS 56 -11.841 0.810 -5.736 442 HG2 LYS 56 HG2 LYS 56 -11.171 1.720 -7.747 443 HG3 LYS 56 HG1 LYS 56 -10.163 2.573 -6.587 444 HD2 LYS 56 HD2 LYS 56 -8.640 2.036 -8.232 445 HD3 LYS 56 HD1 LYS 56 -8.437 0.693 -7.115 446 HE2 LYS 56 HE2 LYS 56 -10.374 0.456 -9.374 447 HE3 LYS 56 HE1 LYS 56 -8.652 0.255 -9.678 448 HZ1 LYS 56 HZ1 LYS 56 -8.612 -1.517 -8.016 449 HZ2 LYS 56 HZ2 LYS 56 -9.703 -1.860 -9.265 450 HZ3 LYS 56 HZ3 LYS 56 -10.282 -1.333 -7.768 451 H GLY 57 HN GLY 57 -7.745 1.161 -5.580 452 HA2 GLY 57 HA2 GLY 57 -5.861 0.008 -6.117 453 HA3 GLY 57 HA1 GLY 57 -6.114 -0.846 -4.609 454 H SER 58 HN SER 58 -8.692 -1.923 -5.613 455 HA SER 58 HA SER 58 -8.950 -3.473 -7.732 456 HB2 SER 58 HB2 SER 58 -6.545 -4.208 -7.472 457 HB3 SER 58 HB1 SER 58 -6.980 -4.938 -5.929 458 HG SER 58 HG SER 58 -6.974 -6.249 -8.027 459 H GLU 59 HN GLU 59 -8.984 -6.112 -6.134 460 HA GLU 59 HA GLU 59 -11.184 -5.500 -4.349 461 HB2 GLU 59 HB2 GLU 59 -11.087 -7.625 -5.685 462 HB3 GLU 59 HB1 GLU 59 -9.747 -8.133 -4.663 463 HG2 GLU 59 HG2 GLU 59 -11.111 -8.163 -2.738 464 HG3 GLU 59 HG1 GLU 59 -12.432 -7.355 -3.570 465 H TYR 60 HN TYR 60 -7.898 -5.311 -4.254 466 HA TYR 60 HA TYR 60 -7.984 -5.052 -1.344 467 HB2 TYR 60 HB2 TYR 60 -5.954 -6.542 -2.966 468 HB3 TYR 60 HB1 TYR 60 -5.459 -5.746 -1.481 469 HD1 TYR 60 HD2 TYR 60 -6.637 -6.365 0.648 470 HD2 TYR 60 HD1 TYR 60 -7.092 -8.628 -2.913 471 HE1 TYR 60 HE2 TYR 60 -7.491 -8.233 1.974 472 HE2 TYR 60 HE1 TYR 60 -7.954 -10.520 -1.606 473 HH TYR 60 HH TYR 60 -7.858 -11.374 0.693 474 H ALA 61 HN ALA 61 -7.261 -3.184 -0.630 475 HA ALA 61 HA ALA 61 -5.813 -1.448 -2.517 476 HB1 ALA 61 HB1 ALA 61 -7.817 -0.776 -0.380 477 HB2 ALA 61 HB2 ALA 61 -7.981 -0.542 -2.120 478 HB3 ALA 61 HB3 ALA 61 -6.836 0.433 -1.200 479 HA PRO 62 HA PRO 62 -2.696 -1.880 0.761 480 HB2 PRO 62 HB2 PRO 62 -0.678 -0.863 -0.779 481 HB3 PRO 62 HB1 PRO 62 -1.144 -2.567 -0.774 482 HG2 PRO 62 HG2 PRO 62 -1.826 -0.422 -2.731 483 HG3 PRO 62 HG1 PRO 62 -1.441 -2.125 -3.018 484 HD2 PRO 62 HD2 PRO 62 -3.974 -1.150 -3.058 485 HD3 PRO 62 HD1 PRO 62 -3.590 -2.825 -2.581 486 H THR 63 HN THR 63 -2.684 -0.383 2.269 487 HA THR 63 HA THR 63 -2.545 2.444 1.478 488 HB THR 63 HB THR 63 -3.922 2.945 3.521 489 HG1 THR 63 HG1 THR 63 -3.968 0.132 3.598 490 HG21 THR 63 HG21 THR 63 -4.977 3.022 1.360 491 HG22 THR 63 HG22 THR 63 -6.086 2.246 2.498 492 HG23 THR 63 HG23 THR 63 -5.175 1.267 1.346 493 H TYR 64 HN TYR 64 -1.664 3.851 3.153 494 HA TYR 64 HA TYR 64 0.210 2.492 4.963 495 HB2 TYR 64 HB2 TYR 64 2.058 3.741 4.209 496 HB3 TYR 64 HB1 TYR 64 1.252 3.233 2.727 497 HD1 TYR 64 HD2 TYR 64 -0.586 4.966 1.871 498 HD2 TYR 64 HD1 TYR 64 2.702 5.932 4.375 499 HE1 TYR 64 HE2 TYR 64 -0.749 7.302 1.162 500 HE2 TYR 64 HE1 TYR 64 2.562 8.280 3.688 501 HH TYR 64 HH TYR 64 1.718 9.612 1.867 502 H GLU 65 HN GLU 65 1.194 4.084 6.511 503 HA GLU 65 HA GLU 65 -0.821 6.115 7.232 504 HB2 GLU 65 HB2 GLU 65 -0.583 4.255 8.863 505 HB3 GLU 65 HB1 GLU 65 1.114 4.698 9.075 506 HG2 GLU 65 HG2 GLU 65 0.443 6.886 9.916 507 HG3 GLU 65 HG1 GLU 65 -1.253 6.455 9.696 508 H ASP 66 HN ASP 66 -0.224 8.142 7.102 509 HA ASP 66 HA ASP 66 2.582 8.857 6.765 510 HB2 ASP 66 HB2 ASP 66 0.808 9.828 5.299 511 HB3 ASP 66 HB1 ASP 66 0.100 10.597 6.711 512 H LYS 67 HN LYS 67 3.022 11.163 7.938 513 HA LYS 67 HA LYS 67 3.281 10.605 10.682 514 HB2 LYS 67 HB2 LYS 67 4.238 12.790 10.894 515 HB3 LYS 67 HB1 LYS 67 4.786 12.112 9.372 516 HG2 LYS 67 HG2 LYS 67 2.733 13.420 8.404 517 HG3 LYS 67 HG1 LYS 67 2.914 14.367 9.883 518 HD2 LYS 67 HD2 LYS 67 4.359 15.558 8.625 519 HD3 LYS 67 HD1 LYS 67 5.478 14.265 9.058 520 HE2 LYS 67 HE2 LYS 67 3.909 14.591 6.514 521 HE3 LYS 67 HE1 LYS 67 5.657 14.557 6.715 522 HZ1 LYS 67 HZ1 LYS 67 3.739 12.318 6.813 523 HZ2 LYS 67 HZ2 LYS 67 5.241 12.188 7.587 524 HZ3 LYS 67 HZ3 LYS 67 5.172 12.461 5.920 525 H ASP 68 HN ASP 68 0.902 12.262 8.788 526 HA ASP 68 HA ASP 68 -0.448 13.619 10.874 527 HB2 ASP 68 HB2 ASP 68 -0.701 14.150 8.464 528 HB3 ASP 68 HB1 ASP 68 -1.531 12.617 8.230 529 H GLY 69 HN GLY 69 -0.239 10.340 10.009 530 HA2 GLY 69 HA2 GLY 69 -1.167 8.509 11.124 531 HA3 GLY 69 HA1 GLY 69 -2.264 9.602 11.960 532 H ASP 70 HN ASP 70 -2.100 10.169 8.664 533 HA ASP 70 HA ASP 70 -4.786 9.089 8.315 534 HB2 ASP 70 HB2 ASP 70 -4.069 11.514 7.781 535 HB3 ASP 70 HB1 ASP 70 -3.305 10.825 6.352 536 H TRP 71 HN TRP 71 -5.334 7.831 6.490 537 HA TRP 71 HA TRP 71 -3.058 6.334 5.361 538 HB2 TRP 71 HB2 TRP 71 -5.777 5.306 6.217 539 HB3 TRP 71 HB1 TRP 71 -4.596 4.351 5.331 540 HD1 TRP 71 HD1 TRP 71 -4.667 6.326 8.689 541 HE1 TRP 71 HE1 TRP 71 -3.375 4.945 10.436 542 HE3 TRP 71 HE3 TRP 71 -3.224 2.409 5.736 543 HZ2 TRP 71 HZ2 TRP 71 -1.939 2.526 10.545 544 HZ3 TRP 71 HZ3 TRP 71 -1.888 0.608 6.742 545 HH2 TRP 71 HH2 TRP 71 -1.262 0.664 9.098 546 H MET 72 HN MET 72 -2.968 6.205 3.210 547 HA MET 72 HA MET 72 -5.434 6.199 1.648 548 HB2 MET 72 HB2 MET 72 -3.032 7.862 0.849 549 HB3 MET 72 HB1 MET 72 -4.516 7.663 -0.054 550 HG2 MET 72 HG2 MET 72 -4.681 9.776 0.882 551 HG3 MET 72 HG1 MET 72 -5.689 8.757 1.906 552 HE1 MET 72 HE1 MET 72 -1.422 10.033 3.096 553 HE2 MET 72 HE2 MET 72 -2.091 10.183 1.472 554 HE3 MET 72 HE3 MET 72 -1.739 8.585 2.139 555 H LEU 73 HN LEU 73 -4.634 5.661 -0.801 556 HA LEU 73 HA LEU 73 -3.302 3.185 -0.698 557 HB2 LEU 73 HB2 LEU 73 -4.018 5.012 -2.933 558 HB3 LEU 73 HB1 LEU 73 -2.933 3.694 -3.241 559 HG LEU 73 HG LEU 73 -5.831 3.658 -2.622 560 HD11 LEU 73 HD11 LEU 73 -5.840 2.005 -4.429 561 HD12 LEU 73 HD12 LEU 73 -4.085 2.151 -4.554 562 HD13 LEU 73 HD13 LEU 73 -5.117 3.534 -4.926 563 HD21 LEU 73 HD21 LEU 73 -5.164 2.215 -0.927 564 HD22 LEU 73 HD22 LEU 73 -3.885 1.510 -1.918 565 HD23 LEU 73 HD23 LEU 73 -5.573 1.167 -2.287 566 H VAL 74 HN VAL 74 -1.332 2.586 -1.523 567 HA VAL 74 HA VAL 74 0.811 4.417 -0.984 568 HB VAL 74 HB VAL 74 0.922 1.581 -2.019 569 HG11 VAL 74 HG11 VAL 74 2.949 2.854 -2.559 570 HG12 VAL 74 HG12 VAL 74 3.267 1.636 -1.324 571 HG13 VAL 74 HG13 VAL 74 3.099 3.330 -0.868 572 HG21 VAL 74 HG21 VAL 74 1.231 2.728 0.748 573 HG22 VAL 74 HG22 VAL 74 1.512 1.041 0.311 574 HG23 VAL 74 HG23 VAL 74 -0.105 1.734 0.169 575 H GLY 75 HN GLY 75 1.790 5.663 -2.385 576 HA2 GLY 75 HA2 GLY 75 2.629 6.128 -4.609 577 HA3 GLY 75 HA1 GLY 75 1.258 5.228 -5.249 578 H ASP 76 HN ASP 76 0.027 6.817 -2.711 579 HA ASP 76 HA ASP 76 -1.471 8.683 -4.145 580 HB2 ASP 76 HB2 ASP 76 -2.040 7.915 -1.858 581 HB3 ASP 76 HB1 ASP 76 -0.689 8.849 -1.223 582 H VAL 77 HN VAL 77 1.486 9.189 -2.252 583 HA VAL 77 HA VAL 77 1.903 11.710 -3.708 584 HB VAL 77 HB VAL 77 3.436 12.393 -1.972 585 HG11 VAL 77 HG11 VAL 77 0.914 11.267 -0.769 586 HG12 VAL 77 HG12 VAL 77 1.088 12.836 -1.552 587 HG13 VAL 77 HG13 VAL 77 1.932 12.507 -0.039 588 HG21 VAL 77 HG21 VAL 77 2.929 9.746 -0.624 589 HG22 VAL 77 HG22 VAL 77 3.948 11.054 -0.025 590 HG23 VAL 77 HG23 VAL 77 4.405 10.178 -1.487 591 HA PRO 78 HA PRO 78 5.130 10.060 -6.174 592 HB2 PRO 78 HB2 PRO 78 7.195 11.871 -5.693 593 HB3 PRO 78 HB1 PRO 78 5.916 12.058 -6.896 594 HG2 PRO 78 HG2 PRO 78 6.118 13.209 -4.151 595 HG3 PRO 78 HG1 PRO 78 5.484 13.944 -5.635 596 HD2 PRO 78 HD2 PRO 78 3.842 13.028 -3.741 597 HD3 PRO 78 HD1 PRO 78 3.450 12.830 -5.461 598 H TRP 79 HN TRP 79 6.643 8.543 -6.012 599 HA TRP 79 HA TRP 79 7.112 7.126 -3.788 600 HB2 TRP 79 HB2 TRP 79 7.674 6.478 -6.134 601 HB3 TRP 79 HB1 TRP 79 9.151 7.423 -5.995 602 HD1 TRP 79 HD1 TRP 79 11.202 6.280 -4.840 603 HE1 TRP 79 HE1 TRP 79 11.616 3.941 -3.848 604 HE3 TRP 79 HE3 TRP 79 6.389 4.563 -4.788 605 HZ2 TRP 79 HZ2 TRP 79 10.098 1.670 -3.148 606 HZ3 TRP 79 HZ3 TRP 79 5.962 2.303 -3.952 607 HH2 TRP 79 HH2 TRP 79 7.772 0.883 -3.144 608 H ASP 80 HN ASP 80 9.335 9.630 -4.983 609 HA ASP 80 HA ASP 80 11.399 9.301 -3.171 610 HB2 ASP 80 HB2 ASP 80 11.517 10.773 -5.133 611 HB3 ASP 80 HB1 ASP 80 10.398 11.892 -4.363 612 H MET 81 HN MET 81 8.447 11.213 -2.796 613 HA MET 81 HA MET 81 9.195 12.125 -0.149 614 HB2 MET 81 HB2 MET 81 6.643 12.369 -1.751 615 HB3 MET 81 HB1 MET 81 6.844 13.035 -0.138 616 HG2 MET 81 HG2 MET 81 8.550 14.528 -0.905 617 HG3 MET 81 HG1 MET 81 8.547 13.779 -2.501 618 HE1 MET 81 HE1 MET 81 6.317 15.694 0.118 619 HE2 MET 81 HE2 MET 81 5.262 14.392 -0.429 620 HE3 MET 81 HE3 MET 81 4.890 16.063 -0.846 621 H PHE 82 HN PHE 82 7.616 9.458 -1.569 622 HA PHE 82 HA PHE 82 5.710 8.944 0.465 623 HB2 PHE 82 HB2 PHE 82 5.754 8.127 -1.999 624 HB3 PHE 82 HB1 PHE 82 6.753 6.815 -1.371 625 HD1 PHE 82 HD2 PHE 82 5.846 5.354 0.465 626 HD2 PHE 82 HD1 PHE 82 3.464 8.148 -1.700 627 HE1 PHE 82 HE2 PHE 82 3.784 4.248 1.270 628 HE2 PHE 82 HE1 PHE 82 1.424 7.062 -0.895 629 HZ PHE 82 HZ PHE 82 1.570 5.132 0.605 630 H VAL 83 HN VAL 83 8.907 7.614 -0.247 631 HA VAL 83 HA VAL 83 8.743 5.422 1.497 632 HB VAL 83 HB VAL 83 11.340 6.800 0.906 633 HG11 VAL 83 HG11 VAL 83 12.167 4.514 0.909 634 HG12 VAL 83 HG12 VAL 83 10.526 3.920 1.185 635 HG13 VAL 83 HG13 VAL 83 11.333 4.897 2.414 636 HG21 VAL 83 HG21 VAL 83 10.188 6.757 -1.217 637 HG22 VAL 83 HG22 VAL 83 9.752 5.064 -0.983 638 HG23 VAL 83 HG23 VAL 83 11.442 5.518 -1.205 639 H THR 84 HN THR 84 9.824 8.715 2.007 640 HA THR 84 HA THR 84 10.938 8.167 4.587 641 HB THR 84 HB THR 84 11.155 10.688 4.669 642 HG1 THR 84 HG1 THR 84 9.620 11.434 3.265 643 HG21 THR 84 HG21 THR 84 12.296 9.182 2.312 644 HG22 THR 84 HG22 THR 84 12.985 9.274 3.934 645 HG23 THR 84 HG23 THR 84 12.915 10.717 2.923 646 H SER 85 HN SER 85 7.788 8.674 3.481 647 HA SER 85 HA SER 85 6.966 9.823 6.051 648 HB2 SER 85 HB2 SER 85 4.785 10.282 4.791 649 HB3 SER 85 HB1 SER 85 6.198 11.228 4.331 650 HG SER 85 HG SER 85 6.316 10.199 2.455 651 H CYS 86 HN CYS 86 6.490 7.056 3.938 652 HA CYS 86 HA CYS 86 4.259 6.016 5.374 653 HB2 CYS 86 HB2 CYS 86 4.558 5.311 3.110 654 HB3 CYS 86 HB1 CYS 86 6.180 4.713 3.445 655 HG CYS 86 HG CYS 86 5.481 2.448 4.661 656 H LYS 87 HN LYS 87 4.260 5.210 7.300 657 HA LYS 87 HA LYS 87 6.737 4.000 8.323 658 HB2 LYS 87 HB2 LYS 87 6.214 4.885 10.535 659 HB3 LYS 87 HB1 LYS 87 6.369 6.165 9.344 660 HG2 LYS 87 HG2 LYS 87 3.829 6.111 9.191 661 HG3 LYS 87 HG1 LYS 87 3.883 5.138 10.665 662 HD2 LYS 87 HD2 LYS 87 5.345 6.987 11.638 663 HD3 LYS 87 HD1 LYS 87 4.846 7.957 10.252 664 HE2 LYS 87 HE2 LYS 87 3.440 8.467 12.143 665 HE3 LYS 87 HE1 LYS 87 2.492 7.630 10.916 666 HZ1 LYS 87 HZ1 LYS 87 3.743 6.133 13.127 667 HZ2 LYS 87 HZ2 LYS 87 2.403 5.706 12.175 668 HZ3 LYS 87 HZ3 LYS 87 2.264 6.916 13.347 669 H ARG 88 HN ARG 88 3.341 3.641 7.930 670 HA ARG 88 HA ARG 88 3.592 0.896 8.916 671 HB2 ARG 88 HB2 ARG 88 1.283 2.751 9.516 672 HB3 ARG 88 HB1 ARG 88 1.262 1.017 9.798 673 HG2 ARG 88 HG2 ARG 88 3.147 1.273 11.353 674 HG3 ARG 88 HG1 ARG 88 3.084 3.020 11.088 675 HD2 ARG 88 HD2 ARG 88 0.943 3.186 12.079 676 HD3 ARG 88 HD1 ARG 88 0.706 1.441 12.044 677 HE ARG 88 HE ARG 88 2.557 1.360 13.736 678 HH11 ARG 88 HH11 ARG 88 0.655 4.276 13.351 679 HH12 ARG 88 HH12 ARG 88 0.760 4.709 15.031 680 HH21 ARG 88 HH21 ARG 88 2.721 1.942 15.929 681 HH22 ARG 88 HH22 ARG 88 1.956 3.393 16.495 682 H LEU 89 HN LEU 89 1.978 -0.562 7.979 683 HA LEU 89 HA LEU 89 0.949 0.393 5.399 684 HB2 LEU 89 HB2 LEU 89 3.299 -0.887 5.551 685 HB3 LEU 89 HB1 LEU 89 2.244 -2.283 5.487 686 HG LEU 89 HG LEU 89 1.265 -1.297 3.395 687 HD11 LEU 89 HD11 LEU 89 1.945 1.002 3.687 688 HD12 LEU 89 HD12 LEU 89 2.605 0.349 2.187 689 HD13 LEU 89 HD13 LEU 89 3.640 0.524 3.603 690 HD21 LEU 89 HD21 LEU 89 3.114 -2.033 1.979 691 HD22 LEU 89 HD22 LEU 89 2.851 -3.130 3.335 692 HD23 LEU 89 HD23 LEU 89 4.189 -1.982 3.375 693 H ARG 90 HN ARG 90 -1.068 -0.362 4.961 694 HA ARG 90 HA ARG 90 -1.701 -3.055 5.891 695 HB2 ARG 90 HB2 ARG 90 -2.883 -1.833 7.539 696 HB3 ARG 90 HB1 ARG 90 -3.471 -0.662 6.360 697 HG2 ARG 90 HG2 ARG 90 -4.994 -2.177 5.436 698 HG3 ARG 90 HG1 ARG 90 -4.196 -3.564 6.169 699 HD2 ARG 90 HD2 ARG 90 -6.288 -3.094 7.277 700 HD3 ARG 90 HD1 ARG 90 -4.930 -2.820 8.370 701 HE ARG 90 HE ARG 90 -5.391 -0.353 7.373 702 HH11 ARG 90 HH11 ARG 90 -7.480 -2.780 8.785 703 HH12 ARG 90 HH12 ARG 90 -8.576 -1.622 9.480 704 HH21 ARG 90 HH21 ARG 90 -6.840 1.185 8.296 705 HH22 ARG 90 HH22 ARG 90 -8.210 0.629 9.202 706 H ILE 91 HN ILE 91 -2.233 -4.242 4.200 707 HA ILE 91 HA ILE 91 -3.772 -2.951 2.056 708 HB ILE 91 HB ILE 91 -2.742 -5.745 1.844 709 HG12 ILE 91 HG12 ILE 91 -1.171 -3.243 1.162 710 HG13 ILE 91 HG11 ILE 91 -0.785 -4.363 2.461 711 HG21 ILE 91 HG21 ILE 91 -3.692 -3.610 -0.007 712 HG22 ILE 91 HG22 ILE 91 -4.169 -5.307 0.086 713 HG23 ILE 91 HG23 ILE 91 -2.615 -4.861 -0.615 714 HD11 ILE 91 HD11 ILE 91 -0.385 -6.123 0.804 715 HD12 ILE 91 HD12 ILE 91 0.663 -4.725 0.566 716 HD13 ILE 91 HD13 ILE 91 -0.731 -4.970 -0.485 717 H MET 92 HN MET 92 -5.814 -3.628 1.697 718 HA MET 92 HA MET 92 -6.847 -5.999 2.898 719 HB2 MET 92 HB2 MET 92 -8.492 -4.947 4.355 720 HB3 MET 92 HB1 MET 92 -6.845 -4.600 4.861 721 HG2 MET 92 HG2 MET 92 -6.995 -2.384 3.869 722 HG3 MET 92 HG1 MET 92 -8.629 -2.740 3.309 723 HE1 MET 92 HE1 MET 92 -9.189 -0.126 6.168 724 HE2 MET 92 HE2 MET 92 -9.596 -0.555 4.507 725 HE3 MET 92 HE3 MET 92 -7.925 -0.185 4.936 726 H LYS 93 HN LYS 93 -9.157 -6.256 2.544 727 HA LYS 93 HA LYS 93 -9.782 -6.084 -0.099 728 HB2 LYS 93 HB2 LYS 93 -11.247 -6.667 2.370 729 HB3 LYS 93 HB1 LYS 93 -12.253 -6.155 1.023 730 HG2 LYS 93 HG2 LYS 93 -11.396 -7.900 -0.366 731 HG3 LYS 93 HG1 LYS 93 -10.210 -8.352 0.861 732 HD2 LYS 93 HD2 LYS 93 -12.004 -9.932 0.952 733 HD3 LYS 93 HD1 LYS 93 -12.103 -8.913 2.386 734 HE2 LYS 93 HE2 LYS 93 -13.873 -7.605 1.369 735 HE3 LYS 93 HE1 LYS 93 -13.734 -8.537 -0.121 736 HZ1 LYS 93 HZ1 LYS 93 -14.597 -9.563 2.528 737 HZ2 LYS 93 HZ2 LYS 93 -14.363 -10.524 1.160 738 HZ3 LYS 93 HZ3 LYS 93 -15.574 -9.346 1.165 739 H GLY 94 HN GLY 94 -11.031 -4.900 -1.395 740 HA2 GLY 94 HA2 GLY 94 -10.462 -2.168 -1.247 741 HA3 GLY 94 HA1 GLY 94 -11.525 -2.917 -2.417 742 H THR 95 HN THR 95 -13.392 -3.873 -0.512 743 HA THR 95 HA THR 95 -15.183 -1.728 -0.484 744 HB THR 95 HB THR 95 -16.558 -3.180 1.031 745 HG1 THR 95 HG1 THR 95 -15.077 -4.327 2.192 746 HG21 THR 95 HG21 THR 95 -16.706 -3.380 -1.413 747 HG22 THR 95 HG22 THR 95 -16.919 -4.944 -0.628 748 HG23 THR 95 HG23 THR 95 -15.382 -4.546 -1.396 749 H GLU 96 HN GLU 96 -12.678 -2.515 1.665 750 HA GLU 96 HA GLU 96 -13.915 -1.136 3.931 751 HB2 GLU 96 HB2 GLU 96 -11.277 -2.611 3.866 752 HB3 GLU 96 HB1 GLU 96 -12.180 -2.104 5.288 753 HG2 GLU 96 HG2 GLU 96 -12.916 -4.256 3.323 754 HG3 GLU 96 HG1 GLU 96 -12.474 -4.449 5.018 755 H ALA 97 HN ALA 97 -11.045 -1.051 1.869 756 HA ALA 97 HA ALA 97 -9.854 1.169 3.199 757 HB1 ALA 97 HB1 ALA 97 -8.556 -0.459 1.913 758 HB2 ALA 97 HB2 ALA 97 -8.276 1.193 1.363 759 HB3 ALA 97 HB3 ALA 97 -9.320 0.119 0.432 760 H LYS 98 HN LYS 98 -12.100 0.836 0.567 761 HA LYS 98 HA LYS 98 -11.890 3.490 -0.419 762 HB2 LYS 98 HB2 LYS 98 -13.954 3.016 -1.600 763 HB3 LYS 98 HB1 LYS 98 -12.875 1.635 -1.710 764 HG2 LYS 98 HG2 LYS 98 -14.140 0.602 0.184 765 HG3 LYS 98 HG1 LYS 98 -15.298 1.925 0.045 766 HD2 LYS 98 HD2 LYS 98 -14.579 0.024 -2.181 767 HD3 LYS 98 HD1 LYS 98 -15.998 -0.129 -1.149 768 HE2 LYS 98 HE2 LYS 98 -15.381 2.202 -2.960 769 HE3 LYS 98 HE1 LYS 98 -16.550 0.926 -3.288 770 HZ1 LYS 98 HZ1 LYS 98 -17.748 1.619 -1.270 771 HZ2 LYS 98 HZ2 LYS 98 -17.681 2.837 -2.439 772 HZ3 LYS 98 HZ3 LYS 98 -16.671 2.911 -1.085 773 H GLY 99 HN GLY 99 -13.000 2.328 2.496 774 HA2 GLY 99 HA2 GLY 99 -14.964 4.479 2.831 775 HA3 GLY 99 HA1 GLY 99 -14.761 3.103 3.904 776 H LEU 100 HN LEU 100 -11.697 3.935 3.360 777 HA LEU 100 HA LEU 100 -11.671 5.710 5.694 778 HB2 LEU 100 HB2 LEU 100 -9.437 4.983 6.127 779 HB3 LEU 100 HB1 LEU 100 -10.433 3.568 5.873 780 HG LEU 100 HG LEU 100 -9.503 3.738 3.409 781 HD11 LEU 100 HD11 LEU 100 -8.314 5.828 3.697 782 HD12 LEU 100 HD12 LEU 100 -7.199 4.509 3.340 783 HD13 LEU 100 HD13 LEU 100 -7.350 5.113 4.989 784 HD21 LEU 100 HD21 LEU 100 -9.168 1.877 4.977 785 HD22 LEU 100 HD22 LEU 100 -7.816 2.747 5.700 786 HD23 LEU 100 HD23 LEU 100 -7.725 2.213 4.022 787 H GLY 101 HN GLY 101 -11.488 5.856 2.440 788 HA2 GLY 101 HA2 GLY 101 -9.367 6.992 1.398 789 HA3 GLY 101 HA1 GLY 101 -10.957 7.651 1.053 790 H CYS 102 HN CYS 102 -7.977 8.035 2.716 791 HA CYS 102 HA CYS 102 -7.021 9.732 3.882 792 HB2 CYS 102 HB2 CYS 102 -7.202 11.972 2.675 793 HB3 CYS 102 HB1 CYS 102 -6.572 10.615 1.758 794 HG CYS 102 HG CYS 102 -8.171 10.888 -0.207 795 H GLY 103 HN GLY 103 -8.955 9.075 5.398 796 HA2 GLY 103 HA2 GLY 103 -9.767 10.091 7.329 797 HA3 GLY 103 HA1 GLY 103 -9.861 11.625 6.476 798 H VAL 104 HN VAL 104 -11.075 8.419 5.802 799 HA VAL 104 HA VAL 104 -13.116 7.603 5.216 800 HB VAL 104 HB VAL 104 -14.233 9.581 7.206 801 HG11 VAL 104 HG11 VAL 104 -15.116 6.809 6.408 802 HG12 VAL 104 HG12 VAL 104 -15.896 8.319 5.943 803 HG13 VAL 104 HG13 VAL 104 -15.879 7.821 7.635 804 HG21 VAL 104 HG21 VAL 104 -13.786 7.928 8.945 805 HG22 VAL 104 HG22 VAL 104 -12.288 8.468 8.188 806 HG23 VAL 104 HG23 VAL 104 -12.972 6.898 7.767 807 H GLY 105 HN GLY 105 -12.386 9.182 3.263 808 HA2 GLY 105 HA2 GLY 105 -14.909 10.169 2.277 809 HA3 GLY 105 HA1 GLY 105 -13.711 11.428 2.529 810 H SER 106 HN SER 106 -14.014 8.231 1.007 811 HA SER 106 HA SER 106 -12.029 8.890 -0.984 812 HB2 SER 106 HB2 SER 106 -12.228 6.592 -0.099 813 HB3 SER 106 HB1 SER 106 -13.864 6.491 -0.743 814 HG SER 106 HG SER 106 -12.833 6.924 -2.846 815 H HIS 107 HN HIS 107 -13.675 10.847 -1.368 816 HA HIS 107 HA HIS 107 -15.348 10.048 -3.657 817 HB2 HIS 107 HB2 HIS 107 -15.852 12.168 -1.577 818 HB3 HIS 107 HB1 HIS 107 -16.649 12.198 -3.144 819 HD1 HIS 107 HD1 HIS 107 -18.818 11.021 -3.233 820 HD2 HIS 107 HD2 HIS 107 -16.405 9.600 -0.164 821 HE1 HIS 107 HE1 HIS 107 -20.223 9.346 -1.986 822 HE2 HIS 107 HE2 HIS 107 -18.806 8.657 -0.022 Start of MODEL 9 1 H1 HIS 1 HT1 HIS 1 16.883 4.630 -5.229 2 H2 HIS 1 HT2 HIS 1 17.243 4.732 -3.582 3 H3 HIS 1 HT3 HIS 1 18.363 5.269 -4.726 4 HA HIS 1 HA HIS 1 16.928 7.040 -5.410 5 HB2 HIS 1 HB2 HIS 1 14.853 5.598 -4.684 6 HB3 HIS 1 HB1 HIS 1 15.065 6.413 -3.142 7 HD1 HIS 1 HD1 HIS 1 14.360 8.878 -2.996 8 HD2 HIS 1 HD2 HIS 1 14.047 7.270 -6.822 9 HE1 HIS 1 HE1 HIS 1 13.074 10.563 -4.340 10 HE2 HIS 1 HE2 HIS 1 12.976 9.618 -6.670 11 H GLU 2 HN GLU 2 16.534 6.317 -1.929 12 HA GLU 2 HA GLU 2 18.266 8.606 -1.329 13 HB2 GLU 2 HB2 GLU 2 16.039 8.375 -0.163 14 HB3 GLU 2 HB1 GLU 2 16.640 6.900 0.581 15 HG2 GLU 2 HG2 GLU 2 18.462 8.230 1.615 16 HG3 GLU 2 HG1 GLU 2 17.712 9.685 0.965 17 H ALA 3 HN ALA 3 20.036 7.382 -2.215 18 HA ALA 3 HA ALA 3 21.868 6.041 -2.154 19 HB1 ALA 3 HB1 ALA 3 20.914 5.129 0.563 20 HB2 ALA 3 HB2 ALA 3 22.080 6.414 0.252 21 HB3 ALA 3 HB3 ALA 3 22.474 4.747 -0.168 22 H ASP 4 HN ASP 4 22.302 3.943 -2.873 23 HA ASP 4 HA ASP 4 20.035 2.781 -4.110 24 HB2 ASP 4 HB2 ASP 4 22.956 2.132 -4.095 25 HB3 ASP 4 HB1 ASP 4 21.804 1.000 -4.799 26 H VAL 5 HN VAL 5 18.810 1.167 -3.588 27 HA VAL 5 HA VAL 5 17.924 -0.654 -2.603 28 HB VAL 5 HB VAL 5 20.722 -1.296 -1.631 29 HG11 VAL 5 HG11 VAL 5 19.932 -3.638 -1.717 30 HG12 VAL 5 HG12 VAL 5 18.310 -3.047 -2.078 31 HG13 VAL 5 HG13 VAL 5 19.067 -2.661 -0.533 32 HG21 VAL 5 HG21 VAL 5 20.934 -2.663 -3.663 33 HG22 VAL 5 HG22 VAL 5 20.753 -0.948 -4.033 34 HG23 VAL 5 HG23 VAL 5 19.385 -2.042 -4.229 35 H GLY 6 HN GLY 6 17.517 -1.651 -0.360 36 HA2 GLY 6 HA2 GLY 6 18.475 -0.283 1.943 37 HA3 GLY 6 HA1 GLY 6 16.872 0.283 1.503 38 H GLY 7 HN GLY 7 16.954 -0.741 3.881 39 HA2 GLY 7 HA2 GLY 7 15.716 -3.389 3.562 40 HA3 GLY 7 HA1 GLY 7 16.991 -3.175 4.750 41 H ILE 8 HN ILE 8 14.766 -0.591 4.145 42 HA ILE 8 HA ILE 8 13.792 -0.599 6.803 43 HB ILE 8 HB ILE 8 12.873 0.899 4.364 44 HG12 ILE 8 HG12 ILE 8 14.467 1.652 6.812 45 HG13 ILE 8 HG11 ILE 8 15.052 1.517 5.168 46 HG21 ILE 8 HG21 ILE 8 11.003 0.629 5.915 47 HG22 ILE 8 HG22 ILE 8 11.579 2.294 5.857 48 HG23 ILE 8 HG23 ILE 8 12.011 1.263 7.216 49 HD11 ILE 8 HD11 ILE 8 13.631 3.374 4.505 50 HD12 ILE 8 HD12 ILE 8 14.769 3.821 5.774 51 HD13 ILE 8 HD13 ILE 8 13.078 3.519 6.172 52 H PHE 9 HN PHE 9 12.450 -2.062 7.580 53 HA PHE 9 HA PHE 9 10.714 -3.538 5.777 54 HB2 PHE 9 HB2 PHE 9 11.181 -3.915 8.743 55 HB3 PHE 9 HB1 PHE 9 10.334 -5.026 7.672 56 HD1 PHE 9 HD1 PHE 9 11.810 -5.649 5.504 57 HD2 PHE 9 HD2 PHE 9 13.324 -4.497 9.307 58 HE1 PHE 9 HE1 PHE 9 13.923 -6.792 4.999 59 HE2 PHE 9 HE2 PHE 9 15.445 -5.642 8.813 60 HZ PHE 9 HZ PHE 9 15.747 -6.792 6.656 61 H VAL 10 HN VAL 10 8.539 -3.469 5.771 62 HA VAL 10 HA VAL 10 7.232 -1.628 7.671 63 HB VAL 10 HB VAL 10 5.810 -2.290 5.191 64 HG11 VAL 10 HG11 VAL 10 5.069 -0.000 5.314 65 HG12 VAL 10 HG12 VAL 10 6.225 0.323 6.612 66 HG13 VAL 10 HG13 VAL 10 4.887 -0.796 6.880 67 HG21 VAL 10 HG21 VAL 10 8.019 -1.954 4.256 68 HG22 VAL 10 HG22 VAL 10 8.175 -0.432 5.133 69 HG23 VAL 10 HG23 VAL 10 6.976 -0.591 3.850 70 H LYS 11 HN LYS 11 5.242 -2.297 8.493 71 HA LYS 11 HA LYS 11 4.754 -5.173 8.184 72 HB2 LYS 11 HB2 LYS 11 4.024 -3.343 10.476 73 HB3 LYS 11 HB1 LYS 11 3.568 -5.037 10.355 74 HG2 LYS 11 HG2 LYS 11 5.948 -5.656 10.339 75 HG3 LYS 11 HG1 LYS 11 6.373 -3.956 10.538 76 HD2 LYS 11 HD2 LYS 11 4.650 -5.510 12.464 77 HD3 LYS 11 HD1 LYS 11 6.387 -5.280 12.656 78 HE2 LYS 11 HE2 LYS 11 6.076 -2.870 12.758 79 HE3 LYS 11 HE1 LYS 11 4.344 -3.067 12.496 80 HZ1 LYS 11 HZ1 LYS 11 4.156 -4.212 14.578 81 HZ2 LYS 11 HZ2 LYS 11 4.929 -2.734 14.843 82 HZ3 LYS 11 HZ3 LYS 11 5.831 -4.163 14.819 83 H VAL 12 HN VAL 12 2.886 -5.842 7.404 84 HA VAL 12 HA VAL 12 0.761 -3.871 6.933 85 HB VAL 12 HB VAL 12 1.305 -3.978 4.744 86 HG11 VAL 12 HG11 VAL 12 3.449 -4.929 5.107 87 HG12 VAL 12 HG12 VAL 12 2.704 -5.795 3.760 88 HG13 VAL 12 HG13 VAL 12 2.759 -6.533 5.364 89 HG21 VAL 12 HG21 VAL 12 -0.751 -5.260 4.670 90 HG22 VAL 12 HG22 VAL 12 0.136 -6.753 4.972 91 HG23 VAL 12 HG23 VAL 12 0.374 -5.881 3.458 92 H SER 13 HN SER 13 -1.197 -4.497 7.523 93 HA SER 13 HA SER 13 -1.545 -7.291 8.355 94 HB2 SER 13 HB2 SER 13 -3.002 -4.812 9.302 95 HB3 SER 13 HB1 SER 13 -3.261 -6.450 9.903 96 HG SER 13 HG SER 13 -1.760 -4.932 11.082 97 H MET 14 HN MET 14 -3.383 -8.403 7.784 98 HA MET 14 HA MET 14 -4.929 -7.285 5.573 99 HB2 MET 14 HB2 MET 14 -3.939 -9.438 5.132 100 HB3 MET 14 HB1 MET 14 -4.644 -10.107 6.599 101 HG2 MET 14 HG2 MET 14 -5.782 -10.690 4.437 102 HG3 MET 14 HG1 MET 14 -6.808 -10.048 5.712 103 HE1 MET 14 HE1 MET 14 -4.841 -9.122 2.417 104 HE2 MET 14 HE2 MET 14 -4.344 -7.920 3.613 105 HE3 MET 14 HE3 MET 14 -5.333 -7.436 2.234 106 H ASP 15 HN ASP 15 -6.924 -6.588 5.862 107 HA ASP 15 HA ASP 15 -8.190 -7.123 8.453 108 HB2 ASP 15 HB2 ASP 15 -7.725 -4.718 7.277 109 HB3 ASP 15 HB1 ASP 15 -9.354 -5.053 6.698 110 H GLY 16 HN GLY 16 -10.231 -7.914 8.582 111 HA2 GLY 16 HA2 GLY 16 -12.279 -8.745 7.791 112 HA3 GLY 16 HA1 GLY 16 -11.695 -8.560 6.142 113 H ALA 17 HN ALA 17 -9.213 -9.909 6.508 114 HA ALA 17 HA ALA 17 -9.975 -12.568 7.508 115 HB1 ALA 17 HB1 ALA 17 -8.828 -13.657 5.674 116 HB2 ALA 17 HB2 ALA 17 -8.440 -12.090 4.957 117 HB3 ALA 17 HB3 ALA 17 -10.119 -12.621 5.062 118 HA PRO 18 HA PRO 18 -6.094 -12.129 9.615 119 HB2 PRO 18 HB2 PRO 18 -5.861 -14.632 10.582 120 HB3 PRO 18 HB1 PRO 18 -7.062 -13.493 11.203 121 HG2 PRO 18 HG2 PRO 18 -7.412 -15.738 9.265 122 HG3 PRO 18 HG1 PRO 18 -8.459 -15.244 10.590 123 HD2 PRO 18 HD2 PRO 18 -8.895 -14.609 7.967 124 HD3 PRO 18 HD1 PRO 18 -9.491 -13.642 9.328 125 H TYR 19 HN TYR 19 -4.155 -12.033 8.703 126 HA TYR 19 HA TYR 19 -2.879 -14.390 7.609 127 HB2 TYR 19 HB2 TYR 19 -3.431 -11.946 5.920 128 HB3 TYR 19 HB1 TYR 19 -2.098 -13.035 5.570 129 HD1 TYR 19 HD2 TYR 19 -2.597 -15.418 4.969 130 HD2 TYR 19 HD1 TYR 19 -5.645 -12.467 5.262 131 HE1 TYR 19 HE2 TYR 19 -4.100 -16.851 3.658 132 HE2 TYR 19 HE1 TYR 19 -7.158 -13.891 3.945 133 HH TYR 19 HH TYR 19 -6.392 -17.186 3.194 134 H LEU 20 HN LEU 20 -0.548 -13.899 7.064 135 HA LEU 20 HA LEU 20 0.434 -11.591 8.598 136 HB2 LEU 20 HB2 LEU 20 0.449 -13.942 9.727 137 HB3 LEU 20 HB1 LEU 20 1.803 -14.249 8.664 138 HG LEU 20 HG LEU 20 2.544 -13.612 10.910 139 HD11 LEU 20 HD11 LEU 20 3.174 -11.536 8.823 140 HD12 LEU 20 HD12 LEU 20 4.003 -13.073 9.057 141 HD13 LEU 20 HD13 LEU 20 4.098 -11.824 10.296 142 HD21 LEU 20 HD21 LEU 20 2.184 -11.373 11.770 143 HD22 LEU 20 HD22 LEU 20 0.643 -12.191 11.504 144 HD23 LEU 20 HD23 LEU 20 1.204 -10.972 10.361 145 H ARG 21 HN ARG 21 1.049 -10.442 6.858 146 HA ARG 21 HA ARG 21 3.225 -11.545 5.239 147 HB2 ARG 21 HB2 ARG 21 2.222 -10.204 3.294 148 HB3 ARG 21 HB1 ARG 21 1.465 -11.730 3.724 149 HG2 ARG 21 HG2 ARG 21 -0.216 -10.456 5.042 150 HG3 ARG 21 HG1 ARG 21 0.496 -8.966 4.419 151 HD2 ARG 21 HD2 ARG 21 -1.504 -9.704 3.162 152 HD3 ARG 21 HD1 ARG 21 -0.058 -9.584 2.166 153 HE ARG 21 HE ARG 21 0.112 -12.074 2.471 154 HH11 ARG 21 HH11 ARG 21 -2.978 -10.439 2.676 155 HH12 ARG 21 HH12 ARG 21 -3.882 -11.812 2.128 156 HH21 ARG 21 HH21 ARG 21 -1.069 -13.875 1.752 157 HH22 ARG 21 HH22 ARG 21 -2.796 -13.763 1.584 158 H LYS 22 HN LYS 22 5.011 -10.275 5.426 159 HA LYS 22 HA LYS 22 4.594 -7.373 5.775 160 HB2 LYS 22 HB2 LYS 22 7.012 -8.905 6.754 161 HB3 LYS 22 HB1 LYS 22 6.604 -7.228 7.081 162 HG2 LYS 22 HG2 LYS 22 5.330 -9.704 8.188 163 HG3 LYS 22 HG1 LYS 22 6.088 -8.360 9.047 164 HD2 LYS 22 HD2 LYS 22 4.304 -6.891 8.445 165 HD3 LYS 22 HD1 LYS 22 3.593 -8.118 7.398 166 HE2 LYS 22 HE2 LYS 22 3.194 -9.528 9.372 167 HE3 LYS 22 HE1 LYS 22 3.853 -8.255 10.399 168 HZ1 LYS 22 HZ1 LYS 22 2.074 -6.843 9.889 169 HZ2 LYS 22 HZ2 LYS 22 1.352 -8.347 10.161 170 HZ3 LYS 22 HZ3 LYS 22 1.564 -7.783 8.578 171 H ILE 23 HN ILE 23 6.260 -5.978 4.818 172 HA ILE 23 HA ILE 23 7.918 -7.187 2.766 173 HB ILE 23 HB ILE 23 7.075 -5.280 1.178 174 HG12 ILE 23 HG12 ILE 23 4.706 -5.735 2.999 175 HG13 ILE 23 HG11 ILE 23 5.471 -4.212 2.575 176 HG21 ILE 23 HG21 ILE 23 5.551 -6.889 0.126 177 HG22 ILE 23 HG22 ILE 23 5.628 -7.883 1.581 178 HG23 ILE 23 HG23 ILE 23 7.080 -7.615 0.619 179 HD11 ILE 23 HD11 ILE 23 3.320 -4.527 1.452 180 HD12 ILE 23 HD12 ILE 23 3.953 -5.972 0.663 181 HD13 ILE 23 HD13 ILE 23 4.655 -4.394 0.307 182 H ASP 24 HN ASP 24 9.123 -5.325 1.524 183 HA ASP 24 HA ASP 24 10.271 -3.639 3.642 184 HB2 ASP 24 HB2 ASP 24 11.846 -4.350 1.216 185 HB3 ASP 24 HB1 ASP 24 12.374 -4.155 2.878 186 H LEU 25 HN LEU 25 10.500 -1.509 3.284 187 HA LEU 25 HA LEU 25 8.771 -0.351 1.368 188 HB2 LEU 25 HB2 LEU 25 9.306 0.394 3.729 189 HB3 LEU 25 HB1 LEU 25 10.799 1.048 3.088 190 HG LEU 25 HG LEU 25 9.382 2.448 1.536 191 HD11 LEU 25 HD11 LEU 25 7.063 2.767 2.109 192 HD12 LEU 25 HD12 LEU 25 7.203 1.622 3.444 193 HD13 LEU 25 HD13 LEU 25 7.350 1.056 1.780 194 HD21 LEU 25 HD21 LEU 25 9.012 4.124 3.208 195 HD22 LEU 25 HD22 LEU 25 10.481 3.243 3.627 196 HD23 LEU 25 HD23 LEU 25 8.978 2.910 4.486 197 H ARG 26 HN ARG 26 12.302 -0.324 1.701 198 HA ARG 26 HA ARG 26 12.594 1.560 -0.430 199 HB2 ARG 26 HB2 ARG 26 14.662 0.028 1.115 200 HB3 ARG 26 HB1 ARG 26 14.988 1.294 -0.064 201 HG2 ARG 26 HG2 ARG 26 13.767 2.903 1.287 202 HG3 ARG 26 HG1 ARG 26 13.405 1.642 2.464 203 HD2 ARG 26 HD2 ARG 26 15.306 3.163 3.064 204 HD3 ARG 26 HD1 ARG 26 15.664 1.440 3.093 205 HE ARG 26 HE ARG 26 16.748 1.780 0.902 206 HH11 ARG 26 HH11 ARG 26 16.234 4.596 2.914 207 HH12 ARG 26 HH12 ARG 26 17.661 5.401 2.349 208 HH21 ARG 26 HH21 ARG 26 18.646 2.816 0.199 209 HH22 ARG 26 HH22 ARG 26 19.012 4.411 0.794 210 H VAL 27 HN VAL 27 12.130 -1.761 -0.468 211 HA VAL 27 HA VAL 27 14.046 -2.293 -2.572 212 HB VAL 27 HB VAL 27 13.291 -4.574 -2.539 213 HG11 VAL 27 HG11 VAL 27 13.801 -5.143 -0.196 214 HG12 VAL 27 HG12 VAL 27 13.622 -3.441 0.232 215 HG13 VAL 27 HG13 VAL 27 14.909 -3.945 -0.865 216 HG21 VAL 27 HG21 VAL 27 11.522 -5.316 -0.977 217 HG22 VAL 27 HG22 VAL 27 10.920 -4.289 -2.278 218 HG23 VAL 27 HG23 VAL 27 11.140 -3.623 -0.660 219 H TYR 28 HN TYR 28 11.094 -0.833 -2.619 220 HA TYR 28 HA TYR 28 10.069 -2.177 -4.972 221 HB2 TYR 28 HB2 TYR 28 9.164 0.476 -3.852 222 HB3 TYR 28 HB1 TYR 28 8.276 -0.581 -4.942 223 HD1 TYR 28 HD2 TYR 28 8.205 -3.150 -3.785 224 HD2 TYR 28 HD1 TYR 28 8.231 0.602 -1.793 225 HE1 TYR 28 HE2 TYR 28 7.086 -4.175 -1.845 226 HE2 TYR 28 HE1 TYR 28 7.109 -0.405 0.142 227 HH TYR 28 HH TYR 28 5.694 -2.332 0.640 228 H GLY 29 HN GLY 29 11.922 0.705 -4.214 229 HA2 GLY 29 HA2 GLY 29 12.894 2.303 -5.571 230 HA3 GLY 29 HA1 GLY 29 13.264 0.915 -6.580 231 H GLY 30 HN GLY 30 10.209 2.600 -5.845 232 HA2 GLY 30 HA2 GLY 30 9.313 4.090 -7.640 233 HA3 GLY 30 HA1 GLY 30 9.792 2.822 -8.759 234 H TYR 31 HN TYR 31 7.283 3.562 -8.964 235 HA TYR 31 HA TYR 31 5.458 2.340 -7.177 236 HB2 TYR 31 HB2 TYR 31 5.000 3.302 -10.003 237 HB3 TYR 31 HB1 TYR 31 3.746 2.933 -8.822 238 HD1 TYR 31 HD1 TYR 31 4.327 4.157 -6.442 239 HD2 TYR 31 HD2 TYR 31 5.339 5.556 -10.321 240 HE1 TYR 31 HE1 TYR 31 4.470 6.443 -5.569 241 HE2 TYR 31 HE2 TYR 31 5.478 7.857 -9.466 242 HH TYR 31 HH TYR 31 4.660 9.187 -7.620 243 H SER 32 HN SER 32 7.104 1.169 -10.033 244 HA SER 32 HA SER 32 5.242 -0.754 -10.870 245 HB2 SER 32 HB2 SER 32 8.250 -0.892 -11.125 246 HB3 SER 32 HB1 SER 32 7.076 -1.790 -12.084 247 HG SER 32 HG SER 32 6.452 0.795 -12.215 248 H GLU 33 HN GLU 33 8.116 -1.181 -8.795 249 HA GLU 33 HA GLU 33 7.467 -3.902 -8.225 250 HB2 GLU 33 HB2 GLU 33 9.434 -1.986 -6.997 251 HB3 GLU 33 HB1 GLU 33 9.262 -3.655 -6.477 252 HG2 GLU 33 HG2 GLU 33 10.023 -2.732 -9.236 253 HG3 GLU 33 HG1 GLU 33 11.112 -3.398 -8.021 254 H LEU 34 HN LEU 34 6.837 -0.817 -6.754 255 HA LEU 34 HA LEU 34 5.990 -1.547 -4.213 256 HB2 LEU 34 HB2 LEU 34 6.164 0.777 -4.889 257 HB3 LEU 34 HB1 LEU 34 4.931 0.551 -6.112 258 HG LEU 34 HG LEU 34 3.366 -0.005 -4.135 259 HD11 LEU 34 HD11 LEU 34 5.119 -0.202 -2.443 260 HD12 LEU 34 HD12 LEU 34 3.950 1.052 -2.031 261 HD13 LEU 34 HD13 LEU 34 5.530 1.496 -2.675 262 HD21 LEU 34 HD21 LEU 34 3.088 1.951 -5.491 263 HD22 LEU 34 HD22 LEU 34 4.412 2.767 -4.666 264 HD23 LEU 34 HD23 LEU 34 2.921 2.412 -3.798 265 H LEU 35 HN LEU 35 4.030 -1.164 -7.133 266 HA LEU 35 HA LEU 35 1.670 -2.241 -6.021 267 HB2 LEU 35 HB2 LEU 35 2.541 -1.763 -8.865 268 HB3 LEU 35 HB1 LEU 35 0.916 -2.211 -8.393 269 HG LEU 35 HG LEU 35 2.268 0.262 -7.333 270 HD11 LEU 35 HD11 LEU 35 1.071 1.547 -9.008 271 HD12 LEU 35 HD12 LEU 35 0.465 0.059 -9.738 272 HD13 LEU 35 HD13 LEU 35 2.192 0.419 -9.768 273 HD21 LEU 35 HD21 LEU 35 -0.622 -0.576 -7.514 274 HD22 LEU 35 HD22 LEU 35 -0.037 0.967 -6.893 275 HD23 LEU 35 HD23 LEU 35 0.364 -0.531 -6.052 276 H LYS 36 HN LYS 36 4.269 -3.585 -7.936 277 HA LYS 36 HA LYS 36 3.005 -6.031 -8.578 278 HB2 LYS 36 HB2 LYS 36 4.961 -5.041 -9.788 279 HB3 LYS 36 HB1 LYS 36 5.972 -5.493 -8.423 280 HG2 LYS 36 HG2 LYS 36 6.191 -7.108 -10.196 281 HG3 LYS 36 HG1 LYS 36 5.403 -7.850 -8.801 282 HD2 LYS 36 HD2 LYS 36 3.209 -7.449 -9.901 283 HD3 LYS 36 HD1 LYS 36 4.072 -6.860 -11.321 284 HE2 LYS 36 HE2 LYS 36 4.311 -9.621 -10.133 285 HE3 LYS 36 HE1 LYS 36 3.376 -9.198 -11.566 286 HZ1 LYS 36 HZ1 LYS 36 5.399 -8.556 -12.679 287 HZ2 LYS 36 HZ2 LYS 36 5.545 -10.141 -12.110 288 HZ3 LYS 36 HZ3 LYS 36 6.314 -8.878 -11.294 289 H ALA 37 HN ALA 37 4.974 -4.991 -5.862 290 HA ALA 37 HA ALA 37 5.492 -7.507 -4.727 291 HB1 ALA 37 HB1 ALA 37 6.607 -5.453 -3.992 292 HB2 ALA 37 HB2 ALA 37 5.871 -6.312 -2.640 293 HB3 ALA 37 HB3 ALA 37 5.088 -4.878 -3.304 294 H LEU 38 HN LEU 38 2.759 -5.309 -4.391 295 HA LEU 38 HA LEU 38 1.360 -6.776 -2.412 296 HB2 LEU 38 HB2 LEU 38 -0.345 -5.392 -4.332 297 HB3 LEU 38 HB1 LEU 38 -0.221 -5.204 -2.594 298 HG LEU 38 HG LEU 38 1.832 -4.020 -4.428 299 HD11 LEU 38 HD11 LEU 38 -0.799 -2.844 -3.590 300 HD12 LEU 38 HD12 LEU 38 -0.273 -3.214 -5.232 301 HD13 LEU 38 HD13 LEU 38 0.522 -1.931 -4.316 302 HD21 LEU 38 HD21 LEU 38 2.136 -2.469 -2.572 303 HD22 LEU 38 HD22 LEU 38 2.350 -4.136 -2.036 304 HD23 LEU 38 HD23 LEU 38 0.851 -3.278 -1.672 305 H GLU 39 HN GLU 39 1.062 -6.608 -5.938 306 HA GLU 39 HA GLU 39 -0.805 -8.569 -6.409 307 HB2 GLU 39 HB2 GLU 39 1.741 -8.058 -7.959 308 HB3 GLU 39 HB1 GLU 39 0.379 -8.999 -8.549 309 HG2 GLU 39 HG2 GLU 39 -1.031 -6.962 -8.315 310 HG3 GLU 39 HG1 GLU 39 0.432 -6.059 -7.929 311 H THR 40 HN THR 40 2.525 -8.904 -5.455 312 HA THR 40 HA THR 40 2.706 -11.725 -5.858 313 HB THR 40 HB THR 40 4.349 -9.776 -4.243 314 HG1 THR 40 HG1 THR 40 4.609 -9.459 -6.434 315 HG21 THR 40 HG21 THR 40 6.031 -11.547 -4.062 316 HG22 THR 40 HG22 THR 40 4.913 -12.682 -4.818 317 HG23 THR 40 HG23 THR 40 4.527 -11.980 -3.240 318 H MET 41 HN MET 41 1.902 -9.621 -3.157 319 HA MET 41 HA MET 41 2.377 -11.350 -1.046 320 HB2 MET 41 HB2 MET 41 0.290 -9.173 -1.255 321 HB3 MET 41 HB1 MET 41 0.883 -9.874 0.242 322 HG2 MET 41 HG2 MET 41 2.763 -8.590 -1.685 323 HG3 MET 41 HG1 MET 41 1.818 -7.611 -0.565 324 HE1 MET 41 HE1 MET 41 2.491 -7.125 1.788 325 HE2 MET 41 HE2 MET 41 3.239 -8.318 2.850 326 HE3 MET 41 HE3 MET 41 1.678 -8.655 2.105 327 H PHE 42 HN PHE 42 -0.778 -10.599 -2.524 328 HA PHE 42 HA PHE 42 -1.891 -12.967 -1.189 329 HB2 PHE 42 HB2 PHE 42 -3.899 -11.384 -2.503 330 HB3 PHE 42 HB1 PHE 42 -3.704 -11.720 -0.786 331 HD1 PHE 42 HD2 PHE 42 -2.460 -10.178 0.648 332 HD2 PHE 42 HD1 PHE 42 -3.134 -9.340 -3.467 333 HE1 PHE 42 HE2 PHE 42 -1.824 -7.836 1.026 334 HE2 PHE 42 HE1 PHE 42 -2.498 -6.999 -3.093 335 HZ PHE 42 HZ PHE 42 -1.847 -6.257 -0.851 336 H LYS 43 HN LYS 43 -0.439 -12.421 -3.934 337 HA LYS 43 HA LYS 43 -0.288 -13.565 -5.895 338 HB2 LYS 43 HB2 LYS 43 -2.335 -15.440 -4.708 339 HB3 LYS 43 HB1 LYS 43 -1.192 -15.798 -5.994 340 HG2 LYS 43 HG2 LYS 43 0.448 -16.271 -4.556 341 HG3 LYS 43 HG1 LYS 43 0.082 -14.874 -3.538 342 HD2 LYS 43 HD2 LYS 43 -1.816 -16.107 -2.571 343 HD3 LYS 43 HD1 LYS 43 -1.387 -17.509 -3.552 344 HE2 LYS 43 HE2 LYS 43 0.761 -17.657 -2.427 345 HE3 LYS 43 HE1 LYS 43 0.383 -16.218 -1.481 346 HZ1 LYS 43 HZ1 LYS 43 -0.019 -18.212 -0.204 347 HZ2 LYS 43 HZ2 LYS 43 -1.079 -18.801 -1.383 348 HZ3 LYS 43 HZ3 LYS 43 -1.484 -17.419 -0.499 349 H LEU 44 HN LEU 44 -2.043 -11.397 -5.880 350 HA LEU 44 HA LEU 44 -3.791 -12.171 -8.066 351 HB2 LEU 44 HB2 LEU 44 -5.655 -10.789 -7.115 352 HB3 LEU 44 HB1 LEU 44 -5.364 -12.322 -6.330 353 HG LEU 44 HG LEU 44 -3.904 -10.799 -4.715 354 HD11 LEU 44 HD11 LEU 44 -6.034 -8.924 -5.730 355 HD12 LEU 44 HD12 LEU 44 -4.295 -8.742 -5.964 356 HD13 LEU 44 HD13 LEU 44 -4.981 -8.646 -4.342 357 HD21 LEU 44 HD21 LEU 44 -5.736 -12.248 -4.057 358 HD22 LEU 44 HD22 LEU 44 -6.902 -11.041 -4.598 359 HD23 LEU 44 HD23 LEU 44 -5.835 -10.691 -3.236 360 H THR 45 HN THR 45 -4.902 -9.996 -8.873 361 HA THR 45 HA THR 45 -2.543 -8.325 -9.387 362 HB THR 45 HB THR 45 -5.027 -8.656 -11.073 363 HG1 THR 45 HG1 THR 45 -2.559 -9.996 -10.949 364 HG21 THR 45 HG21 THR 45 -2.367 -7.359 -11.688 365 HG22 THR 45 HG22 THR 45 -3.887 -6.510 -11.412 366 HG23 THR 45 HG23 THR 45 -3.706 -7.559 -12.818 367 H ILE 46 HN ILE 46 -2.670 -6.727 -7.832 368 HA ILE 46 HA ILE 46 -4.919 -5.047 -7.457 369 HB ILE 46 HB ILE 46 -2.014 -4.257 -7.136 370 HG12 ILE 46 HG12 ILE 46 -2.346 -6.307 -5.885 371 HG13 ILE 46 HG11 ILE 46 -2.279 -4.951 -4.762 372 HG21 ILE 46 HG21 ILE 46 -3.548 -2.387 -7.020 373 HG22 ILE 46 HG22 ILE 46 -2.918 -2.738 -5.407 374 HG23 ILE 46 HG23 ILE 46 -4.548 -3.246 -5.847 375 HD11 ILE 46 HD11 ILE 46 -4.708 -4.961 -4.593 376 HD12 ILE 46 HD12 ILE 46 -4.019 -6.519 -4.142 377 HD13 ILE 46 HD13 ILE 46 -4.779 -6.317 -5.718 378 H GLY 47 HN GLY 47 -5.511 -3.200 -8.505 379 HA2 GLY 47 HA2 GLY 47 -4.323 -2.790 -11.147 380 HA3 GLY 47 HA1 GLY 47 -5.891 -2.210 -10.614 381 H GLU 48 HN GLU 48 -5.191 -0.208 -11.576 382 HA GLU 48 HA GLU 48 -3.074 1.255 -10.217 383 HB2 GLU 48 HB2 GLU 48 -3.484 2.972 -11.928 384 HB3 GLU 48 HB1 GLU 48 -3.219 1.393 -12.657 385 HG2 GLU 48 HG2 GLU 48 -5.625 1.121 -12.949 386 HG3 GLU 48 HG1 GLU 48 -5.893 2.698 -12.213 387 H TYR 49 HN TYR 49 -3.497 3.497 -9.537 388 HA TYR 49 HA TYR 49 -5.670 3.840 -7.801 389 HB2 TYR 49 HB2 TYR 49 -3.319 5.170 -8.279 390 HB3 TYR 49 HB1 TYR 49 -4.503 6.303 -8.915 391 HD1 TYR 49 HD1 TYR 49 -6.762 5.892 -6.997 392 HD2 TYR 49 HD2 TYR 49 -2.559 6.177 -6.357 393 HE1 TYR 49 HE1 TYR 49 -7.169 6.629 -4.668 394 HE2 TYR 49 HE2 TYR 49 -2.947 6.955 -4.066 395 HH TYR 49 HH TYR 49 -4.604 7.987 -2.744 396 H SER 50 HN SER 50 -7.605 3.412 -8.962 397 HA SER 50 HA SER 50 -8.466 4.850 -11.208 398 HB2 SER 50 HB2 SER 50 -10.327 4.036 -9.014 399 HB3 SER 50 HB1 SER 50 -10.594 4.001 -10.751 400 HG SER 50 HG SER 50 -8.901 2.343 -10.793 401 H GLU 51 HN GLU 51 -9.415 6.875 -11.409 402 HA GLU 51 HA GLU 51 -8.434 8.668 -9.435 403 HB2 GLU 51 HB2 GLU 51 -8.390 9.059 -11.908 404 HB3 GLU 51 HB1 GLU 51 -10.130 9.300 -11.855 405 HG2 GLU 51 HG2 GLU 51 -9.059 11.425 -11.884 406 HG3 GLU 51 HG1 GLU 51 -9.776 11.177 -10.294 407 H ARG 52 HN ARG 52 -11.543 7.235 -9.999 408 HA ARG 52 HA ARG 52 -12.926 9.414 -8.763 409 HB2 ARG 52 HB2 ARG 52 -14.970 8.126 -9.120 410 HB3 ARG 52 HB1 ARG 52 -14.022 8.313 -10.578 411 HG2 ARG 52 HG2 ARG 52 -14.640 6.137 -10.772 412 HG3 ARG 52 HG1 ARG 52 -13.111 5.946 -9.919 413 HD2 ARG 52 HD2 ARG 52 -14.821 4.535 -8.935 414 HD3 ARG 52 HD1 ARG 52 -14.310 5.788 -7.799 415 HE ARG 52 HE ARG 52 -16.429 6.977 -8.696 416 HH11 ARG 52 HH11 ARG 52 -16.105 3.524 -8.251 417 HH12 ARG 52 HH12 ARG 52 -17.782 3.291 -7.875 418 HH21 ARG 52 HH21 ARG 52 -18.623 6.679 -8.197 419 HH22 ARG 52 HH22 ARG 52 -19.215 5.091 -7.835 420 H GLU 53 HN GLU 53 -12.515 5.946 -7.752 421 HA GLU 53 HA GLU 53 -12.544 7.066 -5.033 422 HB2 GLU 53 HB2 GLU 53 -13.333 4.277 -5.855 423 HB3 GLU 53 HB1 GLU 53 -13.167 4.820 -4.193 424 HG2 GLU 53 HG2 GLU 53 -14.920 6.466 -4.574 425 HG3 GLU 53 HG1 GLU 53 -15.099 5.856 -6.208 426 H GLY 54 HN GLY 54 -11.018 5.144 -7.346 427 HA2 GLY 54 HA2 GLY 54 -9.394 3.553 -7.416 428 HA3 GLY 54 HA1 GLY 54 -8.487 4.843 -6.666 429 H TYR 55 HN TYR 55 -10.914 3.637 -4.582 430 HA TYR 55 HA TYR 55 -8.707 2.539 -3.046 431 HB2 TYR 55 HB2 TYR 55 -11.326 3.750 -2.310 432 HB3 TYR 55 HB1 TYR 55 -10.608 2.586 -1.197 433 HD1 TYR 55 HD2 TYR 55 -8.483 4.676 -3.308 434 HD2 TYR 55 HD1 TYR 55 -10.286 4.298 0.528 435 HE1 TYR 55 HE2 TYR 55 -6.990 6.402 -2.457 436 HE2 TYR 55 HE1 TYR 55 -8.784 6.038 1.401 437 HH TYR 55 HH TYR 55 -7.074 8.111 -0.491 438 H LYS 56 HN LYS 56 -10.969 1.387 -5.082 439 HA LYS 56 HA LYS 56 -11.577 -1.058 -3.787 440 HB2 LYS 56 HB2 LYS 56 -11.604 -1.816 -6.370 441 HB3 LYS 56 HB1 LYS 56 -12.931 -0.967 -5.603 442 HG2 LYS 56 HG2 LYS 56 -12.594 0.074 -7.683 443 HG3 LYS 56 HG1 LYS 56 -11.930 1.172 -6.482 444 HD2 LYS 56 HD2 LYS 56 -10.472 1.061 -8.411 445 HD3 LYS 56 HD1 LYS 56 -9.669 0.349 -7.019 446 HE2 LYS 56 HE2 LYS 56 -10.180 -1.881 -7.829 447 HE3 LYS 56 HE1 LYS 56 -11.081 -1.203 -9.183 448 HZ1 LYS 56 HZ1 LYS 56 -8.164 -0.868 -8.703 449 HZ2 LYS 56 HZ2 LYS 56 -9.028 -0.207 -9.999 450 HZ3 LYS 56 HZ3 LYS 56 -8.868 -1.881 -9.858 451 H GLY 57 HN GLY 57 -8.842 0.154 -5.529 452 HA2 GLY 57 HA2 GLY 57 -6.785 -0.658 -6.084 453 HA3 GLY 57 HA1 GLY 57 -6.961 -1.704 -4.689 454 H SER 58 HN SER 58 -9.354 -2.902 -5.998 455 HA SER 58 HA SER 58 -9.407 -4.211 -8.247 456 HB2 SER 58 HB2 SER 58 -6.990 -4.791 -8.161 457 HB3 SER 58 HB1 SER 58 -7.241 -5.610 -6.622 458 HG SER 58 HG SER 58 -7.402 -6.662 -8.997 459 H GLU 59 HN GLU 59 -8.491 -6.401 -5.722 460 HA GLU 59 HA GLU 59 -11.130 -6.158 -4.450 461 HB2 GLU 59 HB2 GLU 59 -10.824 -8.389 -5.373 462 HB3 GLU 59 HB1 GLU 59 -9.282 -8.545 -4.536 463 HG2 GLU 59 HG2 GLU 59 -10.364 -8.490 -2.418 464 HG3 GLU 59 HG1 GLU 59 -11.916 -8.142 -3.152 465 H TYR 60 HN TYR 60 -8.035 -5.232 -4.258 466 HA TYR 60 HA TYR 60 -8.078 -5.108 -1.345 467 HB2 TYR 60 HB2 TYR 60 -5.902 -6.297 -3.031 468 HB3 TYR 60 HB1 TYR 60 -5.529 -5.575 -1.471 469 HD1 TYR 60 HD1 TYR 60 -6.692 -6.459 0.559 470 HD2 TYR 60 HD2 TYR 60 -6.867 -8.470 -3.173 471 HE1 TYR 60 HE1 TYR 60 -7.458 -8.469 1.710 472 HE2 TYR 60 HE2 TYR 60 -7.629 -10.514 -2.039 473 HH TYR 60 HH TYR 60 -7.576 -11.531 0.167 474 H ALA 61 HN ALA 61 -7.604 -3.208 -0.576 475 HA ALA 61 HA ALA 61 -6.403 -1.202 -2.350 476 HB1 ALA 61 HB1 ALA 61 -7.277 0.439 -0.764 477 HB2 ALA 61 HB2 ALA 61 -7.895 -0.868 0.246 478 HB3 ALA 61 HB3 ALA 61 -8.556 -0.612 -1.368 479 HA PRO 62 HA PRO 62 -2.771 -1.808 0.312 480 HB2 PRO 62 HB2 PRO 62 -1.029 -0.731 -1.453 481 HB3 PRO 62 HB1 PRO 62 -1.574 -2.410 -1.571 482 HG2 PRO 62 HG2 PRO 62 -2.563 0.005 -3.053 483 HG3 PRO 62 HG1 PRO 62 -2.170 -1.600 -3.690 484 HD2 PRO 62 HD2 PRO 62 -4.702 -0.851 -3.181 485 HD3 PRO 62 HD1 PRO 62 -4.154 -2.533 -2.939 486 H THR 63 HN THR 63 -2.518 -0.371 1.859 487 HA THR 63 HA THR 63 -2.449 2.485 1.194 488 HB THR 63 HB THR 63 -3.718 2.931 3.324 489 HG1 THR 63 HG1 THR 63 -3.727 0.138 3.327 490 HG21 THR 63 HG21 THR 63 -5.951 2.326 2.384 491 HG22 THR 63 HG22 THR 63 -5.132 1.366 1.148 492 HG23 THR 63 HG23 THR 63 -4.887 3.114 1.218 493 H TYR 64 HN TYR 64 -1.507 3.770 3.000 494 HA TYR 64 HA TYR 64 0.345 2.252 4.694 495 HB2 TYR 64 HB2 TYR 64 2.269 3.383 3.936 496 HB3 TYR 64 HB1 TYR 64 1.406 2.995 2.448 497 HD1 TYR 64 HD1 TYR 64 -0.300 4.859 1.671 498 HD2 TYR 64 HD2 TYR 64 3.032 5.533 4.220 499 HE1 TYR 64 HE1 TYR 64 -0.365 7.233 1.100 500 HE2 TYR 64 HE2 TYR 64 2.993 7.920 3.665 501 HH TYR 64 HH TYR 64 2.194 9.376 1.866 502 H GLU 65 HN GLU 65 1.391 3.692 6.309 503 HA GLU 65 HA GLU 65 -0.415 5.895 7.065 504 HB2 GLU 65 HB2 GLU 65 -0.048 4.020 8.712 505 HB3 GLU 65 HB1 GLU 65 1.644 4.523 8.805 506 HG2 GLU 65 HG2 GLU 65 0.875 6.761 9.547 507 HG3 GLU 65 HG1 GLU 65 -0.773 6.137 9.584 508 H ASP 66 HN ASP 66 0.285 7.899 6.770 509 HA ASP 66 HA ASP 66 3.055 8.380 6.040 510 HB2 ASP 66 HB2 ASP 66 2.305 10.230 4.983 511 HB3 ASP 66 HB1 ASP 66 0.724 9.487 5.177 512 H LYS 67 HN LYS 67 3.858 10.621 6.922 513 HA LYS 67 HA LYS 67 4.817 10.337 9.445 514 HB2 LYS 67 HB2 LYS 67 4.208 12.958 8.098 515 HB3 LYS 67 HB1 LYS 67 5.379 12.698 9.381 516 HG2 LYS 67 HG2 LYS 67 6.861 11.602 7.992 517 HG3 LYS 67 HG1 LYS 67 5.610 11.191 6.818 518 HD2 LYS 67 HD2 LYS 67 6.746 13.939 7.340 519 HD3 LYS 67 HD1 LYS 67 7.056 12.927 5.926 520 HE2 LYS 67 HE2 LYS 67 4.522 14.330 6.722 521 HE3 LYS 67 HE1 LYS 67 5.423 14.450 5.214 522 HZ1 LYS 67 HZ1 LYS 67 3.848 12.104 6.145 523 HZ2 LYS 67 HZ2 LYS 67 4.798 12.134 4.736 524 HZ3 LYS 67 HZ3 LYS 67 3.452 13.152 4.870 525 H ASP 68 HN ASP 68 1.896 12.128 8.483 526 HA ASP 68 HA ASP 68 1.420 12.944 11.233 527 HB2 ASP 68 HB2 ASP 68 1.050 14.468 9.258 528 HB3 ASP 68 HB1 ASP 68 -0.328 13.463 8.826 529 H GLY 69 HN GLY 69 0.602 10.327 9.275 530 HA2 GLY 69 HA2 GLY 69 -0.399 8.398 10.218 531 HA3 GLY 69 HA1 GLY 69 -1.247 9.426 11.359 532 H ASP 70 HN ASP 70 -1.231 10.211 7.953 533 HA ASP 70 HA ASP 70 -4.054 9.466 7.800 534 HB2 ASP 70 HB2 ASP 70 -2.266 11.193 6.145 535 HB3 ASP 70 HB1 ASP 70 -3.670 10.464 5.375 536 H TRP 71 HN TRP 71 -4.864 8.074 6.202 537 HA TRP 71 HA TRP 71 -2.853 6.208 5.124 538 HB2 TRP 71 HB2 TRP 71 -5.628 5.610 6.174 539 HB3 TRP 71 HB1 TRP 71 -4.614 4.443 5.339 540 HD1 TRP 71 HD1 TRP 71 -4.612 6.528 8.598 541 HE1 TRP 71 HE1 TRP 71 -3.264 5.233 10.374 542 HE3 TRP 71 HE3 TRP 71 -2.995 2.646 5.699 543 HZ2 TRP 71 HZ2 TRP 71 -1.726 2.868 10.509 544 HZ3 TRP 71 HZ3 TRP 71 -1.588 0.912 6.727 545 HH2 TRP 71 HH2 TRP 71 -0.968 1.021 9.083 546 H MET 72 HN MET 72 -2.730 6.519 3.008 547 HA MET 72 HA MET 72 -5.241 6.361 1.496 548 HB2 MET 72 HB2 MET 72 -2.813 7.893 0.547 549 HB3 MET 72 HB1 MET 72 -4.375 7.782 -0.242 550 HG2 MET 72 HG2 MET 72 -4.434 9.881 0.683 551 HG3 MET 72 HG1 MET 72 -5.277 8.916 1.893 552 HE1 MET 72 HE1 MET 72 -0.888 10.285 2.285 553 HE2 MET 72 HE2 MET 72 -1.876 10.483 0.840 554 HE3 MET 72 HE3 MET 72 -1.339 8.875 1.329 555 H LEU 73 HN LEU 73 -4.467 5.798 -0.938 556 HA LEU 73 HA LEU 73 -3.376 3.199 -0.763 557 HB2 LEU 73 HB2 LEU 73 -3.761 4.986 -3.152 558 HB3 LEU 73 HB1 LEU 73 -3.316 3.301 -3.242 559 HG LEU 73 HG LEU 73 -5.916 4.405 -2.204 560 HD11 LEU 73 HD11 LEU 73 -5.575 4.466 -4.638 561 HD12 LEU 73 HD12 LEU 73 -6.854 3.356 -4.149 562 HD13 LEU 73 HD13 LEU 73 -5.271 2.728 -4.615 563 HD21 LEU 73 HD21 LEU 73 -5.268 2.400 -0.961 564 HD22 LEU 73 HD22 LEU 73 -5.014 1.544 -2.484 565 HD23 LEU 73 HD23 LEU 73 -6.631 2.089 -2.036 566 H VAL 74 HN VAL 74 -1.452 2.394 -1.698 567 HA VAL 74 HA VAL 74 0.806 4.079 -1.287 568 HB VAL 74 HB VAL 74 2.176 2.155 -1.987 569 HG11 VAL 74 HG11 VAL 74 1.630 0.770 -0.065 570 HG12 VAL 74 HG12 VAL 74 0.034 1.516 0.033 571 HG13 VAL 74 HG13 VAL 74 1.479 2.483 0.332 572 HG21 VAL 74 HG21 VAL 74 -0.506 0.850 -2.424 573 HG22 VAL 74 HG22 VAL 74 1.016 -0.030 -2.309 574 HG23 VAL 74 HG23 VAL 74 0.757 1.117 -3.623 575 H GLY 75 HN GLY 75 1.981 5.179 -2.687 576 HA2 GLY 75 HA2 GLY 75 2.739 5.816 -4.836 577 HA3 GLY 75 HA1 GLY 75 1.428 4.882 -5.547 578 H ASP 76 HN ASP 76 0.304 6.612 -2.927 579 HA ASP 76 HA ASP 76 -1.383 8.260 -4.457 580 HB2 ASP 76 HB2 ASP 76 -1.829 7.547 -2.105 581 HB3 ASP 76 HB1 ASP 76 -0.605 8.695 -1.569 582 H VAL 77 HN VAL 77 1.318 9.314 -2.359 583 HA VAL 77 HA VAL 77 1.430 11.796 -3.912 584 HB VAL 77 HB VAL 77 2.734 12.759 -2.125 585 HG11 VAL 77 HG11 VAL 77 1.142 12.637 -0.277 586 HG12 VAL 77 HG12 VAL 77 0.409 11.206 -1.004 587 HG13 VAL 77 HG13 VAL 77 0.322 12.761 -1.833 588 HG21 VAL 77 HG21 VAL 77 3.408 11.569 -0.147 589 HG22 VAL 77 HG22 VAL 77 4.047 10.730 -1.563 590 HG23 VAL 77 HG23 VAL 77 2.631 10.096 -0.721 591 HA PRO 78 HA PRO 78 5.214 11.111 -6.128 592 HB2 PRO 78 HB2 PRO 78 6.388 13.239 -4.376 593 HB3 PRO 78 HB1 PRO 78 6.509 13.037 -6.129 594 HG2 PRO 78 HG2 PRO 78 4.825 14.812 -5.126 595 HG3 PRO 78 HG1 PRO 78 4.338 13.798 -6.499 596 HD2 PRO 78 HD2 PRO 78 3.538 13.626 -3.636 597 HD3 PRO 78 HD1 PRO 78 2.606 13.235 -5.094 598 H TRP 79 HN TRP 79 6.711 9.673 -5.956 599 HA TRP 79 HA TRP 79 7.058 8.003 -3.856 600 HB2 TRP 79 HB2 TRP 79 7.664 7.607 -6.237 601 HB3 TRP 79 HB1 TRP 79 9.128 8.548 -5.979 602 HD1 TRP 79 HD1 TRP 79 11.194 7.204 -5.257 603 HE1 TRP 79 HE1 TRP 79 11.611 4.827 -4.363 604 HE3 TRP 79 HE3 TRP 79 6.349 5.726 -4.632 605 HZ2 TRP 79 HZ2 TRP 79 10.074 2.613 -3.497 606 HZ3 TRP 79 HZ3 TRP 79 5.909 3.475 -3.784 607 HH2 TRP 79 HH2 TRP 79 7.723 1.947 -3.220 608 H ASP 80 HN ASP 80 9.155 10.778 -4.603 609 HA ASP 80 HA ASP 80 11.241 10.128 -2.849 610 HB2 ASP 80 HB2 ASP 80 11.482 11.861 -4.550 611 HB3 ASP 80 HB1 ASP 80 10.281 12.857 -3.738 612 H MET 81 HN MET 81 8.305 12.017 -2.295 613 HA MET 81 HA MET 81 8.963 12.456 0.488 614 HB2 MET 81 HB2 MET 81 6.448 13.013 -1.095 615 HB3 MET 81 HB1 MET 81 6.656 13.427 0.600 616 HG2 MET 81 HG2 MET 81 8.535 14.886 -0.005 617 HG3 MET 81 HG1 MET 81 8.269 14.497 -1.704 618 HE1 MET 81 HE1 MET 81 6.149 15.232 -3.084 619 HE2 MET 81 HE2 MET 81 4.767 16.080 -2.391 620 HE3 MET 81 HE3 MET 81 5.103 14.414 -1.922 621 H PHE 82 HN PHE 82 7.425 10.093 -1.419 622 HA PHE 82 HA PHE 82 5.499 9.147 0.404 623 HB2 PHE 82 HB2 PHE 82 5.826 8.648 -2.160 624 HB3 PHE 82 HB1 PHE 82 6.798 7.297 -1.561 625 HD1 PHE 82 HD1 PHE 82 5.781 5.516 -0.240 626 HD2 PHE 82 HD2 PHE 82 3.488 8.716 -1.851 627 HE1 PHE 82 HE1 PHE 82 3.693 4.294 0.266 628 HE2 PHE 82 HE2 PHE 82 1.417 7.513 -1.349 629 HZ PHE 82 HZ PHE 82 1.514 5.322 -0.263 630 H VAL 83 HN VAL 83 8.733 7.930 -0.407 631 HA VAL 83 HA VAL 83 8.594 5.648 1.218 632 HB VAL 83 HB VAL 83 11.196 7.030 0.633 633 HG11 VAL 83 HG11 VAL 83 10.317 4.162 0.815 634 HG12 VAL 83 HG12 VAL 83 11.335 5.048 1.957 635 HG13 VAL 83 HG13 VAL 83 11.936 4.680 0.339 636 HG21 VAL 83 HG21 VAL 83 9.483 5.519 -1.333 637 HG22 VAL 83 HG22 VAL 83 11.199 5.849 -1.566 638 HG23 VAL 83 HG23 VAL 83 10.053 7.186 -1.460 639 H THR 84 HN THR 84 9.698 8.898 1.866 640 HA THR 84 HA THR 84 10.929 8.253 4.360 641 HB THR 84 HB THR 84 11.096 10.762 4.573 642 HG1 THR 84 HG1 THR 84 10.606 11.351 2.017 643 HG21 THR 84 HG21 THR 84 12.878 9.407 3.589 644 HG22 THR 84 HG22 THR 84 12.742 10.955 2.755 645 HG23 THR 84 HG23 THR 84 12.086 9.490 2.017 646 H SER 85 HN SER 85 7.735 8.608 3.443 647 HA SER 85 HA SER 85 6.907 9.685 6.044 648 HB2 SER 85 HB2 SER 85 5.358 9.326 3.470 649 HB3 SER 85 HB1 SER 85 4.689 9.977 4.966 650 HG SER 85 HG SER 85 6.531 11.109 3.174 651 H CYS 86 HN CYS 86 7.111 6.787 4.255 652 HA CYS 86 HA CYS 86 4.823 5.491 5.330 653 HB2 CYS 86 HB2 CYS 86 7.239 4.444 3.881 654 HB3 CYS 86 HB1 CYS 86 5.803 3.524 4.244 655 HG CYS 86 HG CYS 86 5.944 6.236 2.191 656 H LYS 87 HN LYS 87 4.698 4.945 7.355 657 HA LYS 87 HA LYS 87 7.063 3.775 8.661 658 HB2 LYS 87 HB2 LYS 87 6.032 4.555 10.801 659 HB3 LYS 87 HB1 LYS 87 6.543 5.847 9.727 660 HG2 LYS 87 HG2 LYS 87 4.112 5.865 8.918 661 HG3 LYS 87 HG1 LYS 87 3.770 4.926 10.371 662 HD2 LYS 87 HD2 LYS 87 5.128 7.616 10.325 663 HD3 LYS 87 HD1 LYS 87 3.423 7.350 10.679 664 HE2 LYS 87 HE2 LYS 87 5.780 6.327 12.265 665 HE3 LYS 87 HE1 LYS 87 4.682 7.620 12.738 666 HZ1 LYS 87 HZ1 LYS 87 2.877 5.848 12.554 667 HZ2 LYS 87 HZ2 LYS 87 3.922 5.773 13.885 668 HZ3 LYS 87 HZ3 LYS 87 4.146 4.724 12.580 669 H ARG 88 HN ARG 88 3.700 3.423 7.916 670 HA ARG 88 HA ARG 88 3.795 0.661 8.875 671 HB2 ARG 88 HB2 ARG 88 1.507 2.569 9.404 672 HB3 ARG 88 HB1 ARG 88 1.492 0.845 9.747 673 HG2 ARG 88 HG2 ARG 88 3.297 1.135 11.349 674 HG3 ARG 88 HG1 ARG 88 3.340 2.862 10.986 675 HD2 ARG 88 HD2 ARG 88 1.104 3.145 11.840 676 HD3 ARG 88 HD1 ARG 88 0.933 1.404 12.072 677 HE ARG 88 HE ARG 88 2.904 1.733 13.681 678 HH11 ARG 88 HH11 ARG 88 0.432 4.161 13.122 679 HH12 ARG 88 HH12 ARG 88 0.525 4.788 14.739 680 HH21 ARG 88 HH21 ARG 88 3.038 2.569 15.777 681 HH22 ARG 88 HH22 ARG 88 2.021 3.896 16.247 682 H LEU 89 HN LEU 89 2.224 -0.726 7.821 683 HA LEU 89 HA LEU 89 1.306 0.345 5.239 684 HB2 LEU 89 HB2 LEU 89 3.553 -1.069 5.422 685 HB3 LEU 89 HB1 LEU 89 2.431 -2.411 5.383 686 HG LEU 89 HG LEU 89 1.565 -1.558 3.238 687 HD11 LEU 89 HD11 LEU 89 3.800 0.430 3.499 688 HD12 LEU 89 HD12 LEU 89 2.073 0.787 3.464 689 HD13 LEU 89 HD13 LEU 89 2.868 0.143 2.028 690 HD21 LEU 89 HD21 LEU 89 3.480 -2.228 1.896 691 HD22 LEU 89 HD22 LEU 89 3.306 -3.282 3.302 692 HD23 LEU 89 HD23 LEU 89 4.535 -2.015 3.292 693 H ARG 90 HN ARG 90 -0.681 -0.389 4.586 694 HA ARG 90 HA ARG 90 -1.715 -2.830 5.831 695 HB2 ARG 90 HB2 ARG 90 -2.608 -0.917 7.127 696 HB3 ARG 90 HB1 ARG 90 -3.318 -0.278 5.647 697 HG2 ARG 90 HG2 ARG 90 -4.499 -2.555 5.483 698 HG3 ARG 90 HG1 ARG 90 -4.059 -2.735 7.183 699 HD2 ARG 90 HD2 ARG 90 -5.690 -0.506 5.981 700 HD3 ARG 90 HD1 ARG 90 -6.294 -1.823 6.984 701 HE ARG 90 HE ARG 90 -4.284 -0.014 8.100 702 HH11 ARG 90 HH11 ARG 90 -7.584 -1.160 8.006 703 HH12 ARG 90 HH12 ARG 90 -8.032 -0.412 9.502 704 HH21 ARG 90 HH21 ARG 90 -4.862 0.965 10.099 705 HH22 ARG 90 HH22 ARG 90 -6.478 0.786 10.699 706 H ILE 91 HN ILE 91 -2.286 -4.155 4.206 707 HA ILE 91 HA ILE 91 -3.793 -2.930 1.990 708 HB ILE 91 HB ILE 91 -2.563 -5.624 1.657 709 HG12 ILE 91 HG12 ILE 91 -1.136 -3.046 0.953 710 HG13 ILE 91 HG11 ILE 91 -0.727 -4.043 2.346 711 HG21 ILE 91 HG21 ILE 91 -2.499 -4.544 -0.760 712 HG22 ILE 91 HG22 ILE 91 -3.725 -3.493 -0.056 713 HG23 ILE 91 HG23 ILE 91 -3.976 -5.238 -0.096 714 HD11 ILE 91 HD11 ILE 91 0.808 -4.511 0.580 715 HD12 ILE 91 HD12 ILE 91 -0.509 -4.799 -0.554 716 HD13 ILE 91 HD13 ILE 91 -0.244 -5.914 0.788 717 H MET 92 HN MET 92 -5.776 -3.793 1.618 718 HA MET 92 HA MET 92 -6.645 -6.162 2.970 719 HB2 MET 92 HB2 MET 92 -8.299 -5.046 4.417 720 HB3 MET 92 HB1 MET 92 -6.628 -4.730 4.866 721 HG2 MET 92 HG2 MET 92 -6.731 -2.544 3.821 722 HG3 MET 92 HG1 MET 92 -8.366 -2.876 3.258 723 HE1 MET 92 HE1 MET 92 -7.589 -0.232 4.843 724 HE2 MET 92 HE2 MET 92 -8.976 -0.113 5.927 725 HE3 MET 92 HE3 MET 92 -9.204 -0.612 4.252 726 H LYS 93 HN LYS 93 -8.947 -6.529 2.767 727 HA LYS 93 HA LYS 93 -9.840 -6.539 0.207 728 HB2 LYS 93 HB2 LYS 93 -11.271 -6.604 2.848 729 HB3 LYS 93 HB1 LYS 93 -12.130 -6.804 1.328 730 HG2 LYS 93 HG2 LYS 93 -10.984 -8.802 0.835 731 HG3 LYS 93 HG1 LYS 93 -9.792 -8.509 2.106 732 HD2 LYS 93 HD2 LYS 93 -11.401 -10.196 2.808 733 HD3 LYS 93 HD1 LYS 93 -11.541 -8.746 3.800 734 HE2 LYS 93 HE2 LYS 93 -13.410 -8.028 2.245 735 HE3 LYS 93 HE1 LYS 93 -13.361 -9.663 1.587 736 HZ1 LYS 93 HZ1 LYS 93 -15.035 -9.507 3.283 737 HZ2 LYS 93 HZ2 LYS 93 -13.915 -8.905 4.403 738 HZ3 LYS 93 HZ3 LYS 93 -13.782 -10.502 3.839 739 H GLY 94 HN GLY 94 -10.826 -5.225 -1.157 740 HA2 GLY 94 HA2 GLY 94 -10.658 -2.430 -0.692 741 HA3 GLY 94 HA1 GLY 94 -11.365 -3.202 -2.099 742 H THR 95 HN THR 95 -13.268 -4.671 -0.552 743 HA THR 95 HA THR 95 -15.415 -2.842 -0.582 744 HB THR 95 HB THR 95 -16.638 -4.787 0.559 745 HG1 THR 95 HG1 THR 95 -15.475 -6.736 0.614 746 HG21 THR 95 HG21 THR 95 -15.194 -5.253 -2.055 747 HG22 THR 95 HG22 THR 95 -16.727 -4.405 -1.851 748 HG23 THR 95 HG23 THR 95 -16.621 -6.132 -1.506 749 H GLU 96 HN GLU 96 -13.186 -3.771 1.870 750 HA GLU 96 HA GLU 96 -14.888 -2.669 3.980 751 HB2 GLU 96 HB2 GLU 96 -12.315 -4.249 4.157 752 HB3 GLU 96 HB1 GLU 96 -13.223 -3.645 5.537 753 HG2 GLU 96 HG2 GLU 96 -15.179 -4.981 4.709 754 HG3 GLU 96 HG1 GLU 96 -14.087 -5.715 3.539 755 H ALA 97 HN ALA 97 -12.186 -1.931 2.033 756 HA ALA 97 HA ALA 97 -10.979 0.031 3.707 757 HB1 ALA 97 HB1 ALA 97 -9.772 -1.013 1.844 758 HB2 ALA 97 HB2 ALA 97 -9.794 0.745 1.700 759 HB3 ALA 97 HB3 ALA 97 -10.870 -0.235 0.704 760 H LYS 98 HN LYS 98 -13.723 -0.070 1.715 761 HA LYS 98 HA LYS 98 -14.139 2.592 1.029 762 HB2 LYS 98 HB2 LYS 98 -16.190 0.524 1.789 763 HB3 LYS 98 HB1 LYS 98 -16.487 2.003 0.885 764 HG2 LYS 98 HG2 LYS 98 -15.335 1.233 -0.994 765 HG3 LYS 98 HG1 LYS 98 -14.544 -0.057 -0.087 766 HD2 LYS 98 HD2 LYS 98 -16.326 -0.909 -1.546 767 HD3 LYS 98 HD1 LYS 98 -16.659 -1.220 0.158 768 HE2 LYS 98 HE2 LYS 98 -18.661 -0.464 -1.030 769 HE3 LYS 98 HE1 LYS 98 -18.178 0.679 0.220 770 HZ1 LYS 98 HZ1 LYS 98 -18.803 1.805 -1.814 771 HZ2 LYS 98 HZ2 LYS 98 -17.623 0.962 -2.682 772 HZ3 LYS 98 HZ3 LYS 98 -17.164 2.063 -1.481 773 H GLY 99 HN GLY 99 -14.395 1.010 4.093 774 HA2 GLY 99 HA2 GLY 99 -16.218 2.746 5.347 775 HA3 GLY 99 HA1 GLY 99 -15.097 1.675 6.158 776 H LEU 100 HN LEU 100 -12.710 2.964 4.941 777 HA LEU 100 HA LEU 100 -12.512 4.944 7.016 778 HB2 LEU 100 HB2 LEU 100 -10.130 5.152 6.282 779 HB3 LEU 100 HB1 LEU 100 -10.621 3.562 6.819 780 HG LEU 100 HG LEU 100 -10.898 3.010 4.318 781 HD11 LEU 100 HD11 LEU 100 -9.141 5.443 4.093 782 HD12 LEU 100 HD12 LEU 100 -10.772 5.274 3.446 783 HD13 LEU 100 HD13 LEU 100 -9.462 4.279 2.809 784 HD21 LEU 100 HD21 LEU 100 -8.531 2.444 4.133 785 HD22 LEU 100 HD22 LEU 100 -9.155 2.090 5.744 786 HD23 LEU 100 HD23 LEU 100 -8.167 3.525 5.476 787 H GLY 101 HN GLY 101 -13.117 4.974 3.674 788 HA2 GLY 101 HA2 GLY 101 -13.080 6.676 2.066 789 HA3 GLY 101 HA1 GLY 101 -14.205 7.326 3.242 790 H CYS 102 HN CYS 102 -10.705 7.171 2.614 791 HA CYS 102 HA CYS 102 -10.409 9.709 4.007 792 HB2 CYS 102 HB2 CYS 102 -8.341 7.726 3.052 793 HB3 CYS 102 HB1 CYS 102 -7.973 9.224 3.901 794 HG CYS 102 HG CYS 102 -10.169 7.719 5.730 795 H GLY 103 HN GLY 103 -10.963 11.304 2.719 796 HA2 GLY 103 HA2 GLY 103 -10.661 12.928 1.149 797 HA3 GLY 103 HA1 GLY 103 -9.082 12.230 0.853 798 H VAL 104 HN VAL 104 -8.760 11.592 -1.163 799 HA VAL 104 HA VAL 104 -10.998 11.140 -2.939 800 HB VAL 104 HB VAL 104 -8.043 10.816 -3.512 801 HG11 VAL 104 HG11 VAL 104 -10.398 11.094 -5.377 802 HG12 VAL 104 HG12 VAL 104 -9.459 9.627 -5.100 803 HG13 VAL 104 HG13 VAL 104 -8.704 11.026 -5.863 804 HG21 VAL 104 HG21 VAL 104 -9.848 13.182 -3.993 805 HG22 VAL 104 HG22 VAL 104 -8.180 13.035 -4.544 806 HG23 VAL 104 HG23 VAL 104 -8.537 13.094 -2.818 807 H GLY 105 HN GLY 105 -11.777 9.371 -1.588 808 HA2 GLY 105 HA2 GLY 105 -10.657 6.824 -2.561 809 HA3 GLY 105 HA1 GLY 105 -11.055 7.020 -0.853 810 H SER 106 HN SER 106 -12.723 5.539 -0.746 811 HA SER 106 HA SER 106 -14.858 5.546 -2.655 812 HB2 SER 106 HB2 SER 106 -14.105 3.539 -1.276 813 HB3 SER 106 HB1 SER 106 -14.922 4.292 0.093 814 HG SER 106 HG SER 106 -16.391 4.087 -2.262 815 H HIS 107 HN HIS 107 -16.239 7.157 -2.766 816 HA HIS 107 HA HIS 107 -17.629 8.862 -2.257 817 HB2 HIS 107 HB2 HIS 107 -17.766 7.337 0.327 818 HB3 HIS 107 HB1 HIS 107 -18.583 8.884 0.153 819 HD1 HIS 107 HD1 HIS 107 -19.841 5.898 0.459 820 HD2 HIS 107 HD2 HIS 107 -19.730 8.295 -2.929 821 HE1 HIS 107 HE1 HIS 107 -21.741 5.109 -0.986 822 HE2 HIS 107 HE2 HIS 107 -21.512 6.435 -3.117 Start of MODEL 10 1 H1 HIS 1 HT1 HIS 1 25.722 -5.645 -6.428 2 H2 HIS 1 HT2 HIS 1 25.528 -4.059 -5.880 3 H3 HIS 1 HT3 HIS 1 26.913 -4.489 -6.747 4 HA HIS 1 HA HIS 1 25.390 -3.243 -8.122 5 HB2 HIS 1 HB2 HIS 1 26.834 -4.971 -9.142 6 HB3 HIS 1 HB1 HIS 1 25.574 -6.166 -8.883 7 HD1 HIS 1 HD1 HIS 1 24.419 -6.673 -11.006 8 HD2 HIS 1 HD2 HIS 1 25.533 -2.673 -10.772 9 HE1 HIS 1 HE1 HIS 1 23.642 -5.624 -13.153 10 HE2 HIS 1 HE2 HIS 1 24.433 -3.238 -13.043 11 H GLU 2 HN GLU 2 23.961 -6.487 -7.625 12 HA GLU 2 HA GLU 2 21.323 -5.263 -7.885 13 HB2 GLU 2 HB2 GLU 2 21.863 -7.299 -9.217 14 HB3 GLU 2 HB1 GLU 2 22.047 -8.194 -7.716 15 HG2 GLU 2 HG2 GLU 2 19.696 -7.705 -7.169 16 HG3 GLU 2 HG1 GLU 2 19.530 -6.888 -8.720 17 H ALA 3 HN ALA 3 21.833 -4.218 -5.812 18 HA ALA 3 HA ALA 3 20.495 -5.670 -3.698 19 HB1 ALA 3 HB1 ALA 3 22.210 -5.268 -2.016 20 HB2 ALA 3 HB2 ALA 3 23.262 -4.553 -3.237 21 HB3 ALA 3 HB3 ALA 3 22.850 -6.266 -3.323 22 H ASP 4 HN ASP 4 18.935 -4.287 -3.212 23 HA ASP 4 HA ASP 4 19.333 -1.434 -3.549 24 HB2 ASP 4 HB2 ASP 4 17.230 -2.519 -4.307 25 HB3 ASP 4 HB1 ASP 4 16.866 -2.928 -2.633 26 H VAL 5 HN VAL 5 18.995 0.098 -1.897 27 HA VAL 5 HA VAL 5 19.813 -0.940 0.722 28 HB VAL 5 HB VAL 5 20.635 1.383 1.151 29 HG11 VAL 5 HG11 VAL 5 21.765 -0.027 -1.264 30 HG12 VAL 5 HG12 VAL 5 22.161 -0.358 0.422 31 HG13 VAL 5 HG13 VAL 5 22.610 1.186 -0.303 32 HG21 VAL 5 HG21 VAL 5 19.206 2.573 -0.435 33 HG22 VAL 5 HG22 VAL 5 20.022 1.773 -1.779 34 HG23 VAL 5 HG23 VAL 5 20.910 2.897 -0.751 35 H GLY 6 HN GLY 6 17.045 -0.972 0.011 36 HA2 GLY 6 HA2 GLY 6 15.721 1.214 1.262 37 HA3 GLY 6 HA1 GLY 6 15.010 -0.341 0.923 38 H GLY 7 HN GLY 7 16.300 1.691 3.207 39 HA2 GLY 7 HA2 GLY 7 16.577 -0.360 5.266 40 HA3 GLY 7 HA1 GLY 7 16.976 1.344 5.439 41 H ILE 8 HN ILE 8 14.171 1.593 4.019 42 HA ILE 8 HA ILE 8 12.678 1.893 6.458 43 HB ILE 8 HB ILE 8 12.019 2.452 3.573 44 HG12 ILE 8 HG12 ILE 8 11.671 4.772 4.628 45 HG13 ILE 8 HG11 ILE 8 12.475 4.111 6.041 46 HG21 ILE 8 HG21 ILE 8 10.156 2.750 5.923 47 HG22 ILE 8 HG22 ILE 8 9.986 1.595 4.603 48 HG23 ILE 8 HG23 ILE 8 9.854 3.324 4.283 49 HD11 ILE 8 HD11 ILE 8 14.016 5.360 4.656 50 HD12 ILE 8 HD12 ILE 8 13.650 4.311 3.288 51 HD13 ILE 8 HD13 ILE 8 14.454 3.653 4.710 52 H PHE 9 HN PHE 9 11.843 0.191 7.382 53 HA PHE 9 HA PHE 9 10.735 -1.962 5.705 54 HB2 PHE 9 HB2 PHE 9 11.617 -2.135 8.596 55 HB3 PHE 9 HB1 PHE 9 11.095 -3.471 7.576 56 HD1 PHE 9 HD1 PHE 9 12.506 -3.810 5.392 57 HD2 PHE 9 HD2 PHE 9 13.859 -1.743 8.853 58 HE1 PHE 9 HE1 PHE 9 14.835 -4.200 4.710 59 HE2 PHE 9 HE2 PHE 9 16.189 -2.125 8.175 60 HZ PHE 9 HZ PHE 9 16.682 -3.355 6.099 61 H VAL 10 HN VAL 10 8.584 -1.901 5.607 62 HA VAL 10 HA VAL 10 7.141 -0.953 7.990 63 HB VAL 10 HB VAL 10 5.436 -0.029 6.667 64 HG11 VAL 10 HG11 VAL 10 8.058 0.506 5.289 65 HG12 VAL 10 HG12 VAL 10 7.379 1.380 6.664 66 HG13 VAL 10 HG13 VAL 10 6.602 1.481 5.082 67 HG21 VAL 10 HG21 VAL 10 5.276 -0.318 4.217 68 HG22 VAL 10 HG22 VAL 10 5.078 -1.826 5.115 69 HG23 VAL 10 HG23 VAL 10 6.607 -1.480 4.298 70 H LYS 11 HN LYS 11 5.152 -2.032 8.466 71 HA LYS 11 HA LYS 11 5.356 -4.865 7.812 72 HB2 LYS 11 HB2 LYS 11 3.758 -5.162 9.703 73 HB3 LYS 11 HB1 LYS 11 5.288 -4.438 10.168 74 HG2 LYS 11 HG2 LYS 11 4.208 -2.211 10.111 75 HG3 LYS 11 HG1 LYS 11 2.676 -3.001 9.755 76 HD2 LYS 11 HD2 LYS 11 2.794 -2.484 12.110 77 HD3 LYS 11 HD1 LYS 11 2.852 -4.233 11.888 78 HE2 LYS 11 HE2 LYS 11 5.177 -4.301 12.313 79 HE3 LYS 11 HE1 LYS 11 5.325 -2.550 12.194 80 HZ1 LYS 11 HZ1 LYS 11 3.999 -2.343 14.205 81 HZ2 LYS 11 HZ2 LYS 11 5.375 -3.280 14.487 82 HZ3 LYS 11 HZ3 LYS 11 3.870 -4.025 14.322 83 H VAL 12 HN VAL 12 3.911 -5.876 6.610 84 HA VAL 12 HA VAL 12 1.189 -4.876 6.427 85 HB VAL 12 HB VAL 12 1.955 -3.853 4.443 86 HG11 VAL 12 HG11 VAL 12 3.342 -5.102 2.782 87 HG12 VAL 12 HG12 VAL 12 3.546 -6.359 4.005 88 HG13 VAL 12 HG13 VAL 12 4.152 -4.728 4.302 89 HG21 VAL 12 HG21 VAL 12 0.934 -5.145 2.653 90 HG22 VAL 12 HG22 VAL 12 -0.052 -5.204 4.118 91 HG23 VAL 12 HG23 VAL 12 0.970 -6.575 3.681 92 H SER 13 HN SER 13 0.015 -6.540 6.939 93 HA SER 13 HA SER 13 0.022 -8.716 5.050 94 HB2 SER 13 HB2 SER 13 1.564 -9.487 6.947 95 HB3 SER 13 HB1 SER 13 0.110 -9.531 7.943 96 HG SER 13 HG SER 13 0.288 -11.550 7.104 97 H MET 14 HN MET 14 -2.134 -8.560 4.448 98 HA MET 14 HA MET 14 -4.012 -9.249 6.440 99 HB2 MET 14 HB2 MET 14 -3.551 -6.825 6.927 100 HB3 MET 14 HB1 MET 14 -4.353 -6.461 5.401 101 HG2 MET 14 HG2 MET 14 -6.041 -8.215 6.733 102 HG3 MET 14 HG1 MET 14 -5.478 -7.086 7.957 103 HE1 MET 14 HE1 MET 14 -5.762 -5.839 4.097 104 HE2 MET 14 HE2 MET 14 -7.518 -6.092 4.017 105 HE3 MET 14 HE3 MET 14 -6.452 -7.437 4.399 106 H ASP 15 HN ASP 15 -5.806 -10.173 5.605 107 HA ASP 15 HA ASP 15 -6.902 -8.926 3.214 108 HB2 ASP 15 HB2 ASP 15 -7.663 -11.166 2.375 109 HB3 ASP 15 HB1 ASP 15 -5.952 -10.817 2.219 110 H GLY 16 HN GLY 16 -8.168 -7.880 4.886 111 HA2 GLY 16 HA2 GLY 16 -10.411 -7.606 5.513 112 HA3 GLY 16 HA1 GLY 16 -10.658 -9.334 5.301 113 H ALA 17 HN ALA 17 -8.335 -10.014 6.865 114 HA ALA 17 HA ALA 17 -9.241 -9.289 9.580 115 HB1 ALA 17 HB1 ALA 17 -8.111 -11.928 8.631 116 HB2 ALA 17 HB2 ALA 17 -9.801 -11.615 9.020 117 HB3 ALA 17 HB3 ALA 17 -8.578 -11.540 10.287 118 HA PRO 18 HA PRO 18 -5.157 -7.758 10.094 119 HB2 PRO 18 HB2 PRO 18 -4.735 -8.076 12.754 120 HB3 PRO 18 HB1 PRO 18 -5.846 -6.874 12.089 121 HG2 PRO 18 HG2 PRO 18 -6.443 -9.554 13.263 122 HG3 PRO 18 HG1 PRO 18 -7.305 -8.034 13.465 123 HD2 PRO 18 HD2 PRO 18 -8.138 -9.996 11.786 124 HD3 PRO 18 HD1 PRO 18 -8.465 -8.275 11.507 125 H TYR 19 HN TYR 19 -3.233 -8.541 9.569 126 HA TYR 19 HA TYR 19 -2.190 -10.942 10.923 127 HB2 TYR 19 HB2 TYR 19 -1.879 -10.332 7.969 128 HB3 TYR 19 HB1 TYR 19 -1.135 -11.672 8.821 129 HD1 TYR 19 HD2 TYR 19 -4.443 -10.275 7.792 130 HD2 TYR 19 HD1 TYR 19 -2.227 -13.728 8.974 131 HE1 TYR 19 HE2 TYR 19 -6.325 -11.723 7.144 132 HE2 TYR 19 HE1 TYR 19 -4.114 -15.164 8.334 133 HH TYR 19 HH TYR 19 -6.620 -14.908 8.076 134 H LEU 20 HN LEU 20 0.321 -11.049 10.460 135 HA LEU 20 HA LEU 20 1.414 -8.330 10.190 136 HB2 LEU 20 HB2 LEU 20 2.152 -10.290 12.360 137 HB3 LEU 20 HB1 LEU 20 2.955 -8.762 12.066 138 HG LEU 20 HG LEU 20 0.052 -9.034 12.856 139 HD11 LEU 20 HD11 LEU 20 2.451 -8.305 14.534 140 HD12 LEU 20 HD12 LEU 20 1.536 -9.809 14.639 141 HD13 LEU 20 HD13 LEU 20 0.769 -8.279 15.062 142 HD21 LEU 20 HD21 LEU 20 0.516 -6.994 11.621 143 HD22 LEU 20 HD22 LEU 20 1.883 -6.640 12.676 144 HD23 LEU 20 HD23 LEU 20 0.243 -6.625 13.323 145 H ARG 21 HN ARG 21 2.415 -8.624 8.276 146 HA ARG 21 HA ARG 21 4.881 -10.223 8.392 147 HB2 ARG 21 HB2 ARG 21 3.182 -9.717 5.928 148 HB3 ARG 21 HB1 ARG 21 4.799 -10.401 5.896 149 HG2 ARG 21 HG2 ARG 21 2.768 -11.744 7.587 150 HG3 ARG 21 HG1 ARG 21 2.623 -11.904 5.838 151 HD2 ARG 21 HD2 ARG 21 3.896 -13.748 6.827 152 HD3 ARG 21 HD1 ARG 21 4.872 -12.805 5.706 153 HE ARG 21 HE ARG 21 5.670 -11.674 7.887 154 HH11 ARG 21 HH11 ARG 21 4.861 -15.064 7.542 155 HH12 ARG 21 HH12 ARG 21 5.993 -15.581 8.750 156 HH21 ARG 21 HH21 ARG 21 7.166 -12.360 9.468 157 HH22 ARG 21 HH22 ARG 21 7.297 -14.047 9.847 158 H LYS 22 HN LYS 22 6.551 -9.102 6.749 159 HA LYS 22 HA LYS 22 5.933 -6.248 6.560 160 HB2 LYS 22 HB2 LYS 22 8.654 -7.157 7.463 161 HB3 LYS 22 HB1 LYS 22 8.045 -5.516 7.360 162 HG2 LYS 22 HG2 LYS 22 8.002 -5.935 9.612 163 HG3 LYS 22 HG1 LYS 22 6.345 -6.300 9.134 164 HD2 LYS 22 HD2 LYS 22 6.725 -8.610 9.181 165 HD3 LYS 22 HD1 LYS 22 8.477 -8.408 9.248 166 HE2 LYS 22 HE2 LYS 22 7.633 -9.053 11.418 167 HE3 LYS 22 HE1 LYS 22 8.269 -7.410 11.466 168 HZ1 LYS 22 HZ1 LYS 22 5.406 -8.150 11.266 169 HZ2 LYS 22 HZ2 LYS 22 6.014 -6.571 11.300 170 HZ3 LYS 22 HZ3 LYS 22 6.184 -7.571 12.650 171 H ILE 23 HN ILE 23 6.868 -5.156 4.845 172 HA ILE 23 HA ILE 23 8.773 -6.643 3.199 173 HB ILE 23 HB ILE 23 7.895 -5.456 1.186 174 HG12 ILE 23 HG12 ILE 23 5.598 -4.841 3.042 175 HG13 ILE 23 HG11 ILE 23 6.608 -3.693 2.181 176 HG21 ILE 23 HG21 ILE 23 6.045 -7.039 0.844 177 HG22 ILE 23 HG22 ILE 23 6.120 -7.449 2.560 178 HG23 ILE 23 HG23 ILE 23 7.503 -7.773 1.512 179 HD11 ILE 23 HD11 ILE 23 4.745 -5.661 0.877 180 HD12 ILE 23 HD12 ILE 23 5.679 -4.396 0.075 181 HD13 ILE 23 HD13 ILE 23 4.379 -3.965 1.188 182 H ASP 24 HN ASP 24 9.756 -5.017 1.536 183 HA ASP 24 HA ASP 24 10.790 -2.795 3.187 184 HB2 ASP 24 HB2 ASP 24 12.207 -3.829 0.757 185 HB3 ASP 24 HB1 ASP 24 12.876 -3.103 2.206 186 H LEU 25 HN LEU 25 10.496 -0.773 2.447 187 HA LEU 25 HA LEU 25 8.497 -0.506 0.429 188 HB2 LEU 25 HB2 LEU 25 9.056 0.854 2.655 189 HB3 LEU 25 HB1 LEU 25 9.844 1.887 1.488 190 HG LEU 25 HG LEU 25 7.593 1.876 0.233 191 HD11 LEU 25 HD11 LEU 25 6.607 0.021 1.555 192 HD12 LEU 25 HD12 LEU 25 5.626 1.488 1.556 193 HD13 LEU 25 HD13 LEU 25 6.600 1.081 2.969 194 HD21 LEU 25 HD21 LEU 25 7.866 3.237 2.904 195 HD22 LEU 25 HD22 LEU 25 6.744 3.703 1.624 196 HD23 LEU 25 HD23 LEU 25 8.482 3.822 1.360 197 H ARG 26 HN ARG 26 11.907 0.435 0.637 198 HA ARG 26 HA ARG 26 11.739 1.958 -1.793 199 HB2 ARG 26 HB2 ARG 26 14.203 1.207 -0.247 200 HB3 ARG 26 HB1 ARG 26 14.067 2.423 -1.507 201 HG2 ARG 26 HG2 ARG 26 12.415 3.605 -0.056 202 HG3 ARG 26 HG1 ARG 26 12.868 2.490 1.235 203 HD2 ARG 26 HD2 ARG 26 14.153 4.497 1.486 204 HD3 ARG 26 HD1 ARG 26 15.227 3.211 0.942 205 HE ARG 26 HE ARG 26 14.093 5.141 -0.967 206 HH11 ARG 26 HH11 ARG 26 16.876 3.648 0.559 207 HH12 ARG 26 HH12 ARG 26 18.010 4.350 -0.550 208 HH21 ARG 26 HH21 ARG 26 15.586 6.070 -2.408 209 HH22 ARG 26 HH22 ARG 26 17.280 5.732 -2.230 210 H VAL 27 HN VAL 27 12.464 -1.330 -1.071 211 HA VAL 27 HA VAL 27 14.416 -1.767 -3.066 212 HB VAL 27 HB VAL 27 14.069 -4.137 -2.753 213 HG11 VAL 27 HG11 VAL 27 15.361 -2.982 -1.064 214 HG12 VAL 27 HG12 VAL 27 14.430 -4.286 -0.327 215 HG13 VAL 27 HG13 VAL 27 13.894 -2.615 -0.157 216 HG21 VAL 27 HG21 VAL 27 12.296 -4.984 -1.256 217 HG22 VAL 27 HG22 VAL 27 11.659 -4.242 -2.724 218 HG23 VAL 27 HG23 VAL 27 11.605 -3.362 -1.198 219 H TYR 28 HN TYR 28 11.118 -1.182 -3.340 220 HA TYR 28 HA TYR 28 10.747 -2.705 -5.775 221 HB2 TYR 28 HB2 TYR 28 8.977 -0.581 -4.552 222 HB3 TYR 28 HB1 TYR 28 8.524 -1.725 -5.815 223 HD1 TYR 28 HD2 TYR 28 9.439 -4.254 -4.946 224 HD2 TYR 28 HD1 TYR 28 7.867 -1.082 -2.598 225 HE1 TYR 28 HE2 TYR 28 8.749 -5.878 -3.240 226 HE2 TYR 28 HE1 TYR 28 7.167 -2.706 -0.867 227 HH TYR 28 HH TYR 28 8.273 -5.897 -0.817 228 H GLY 29 HN GLY 29 11.592 0.493 -4.795 229 HA2 GLY 29 HA2 GLY 29 12.493 2.269 -5.924 230 HA3 GLY 29 HA1 GLY 29 12.949 1.105 -7.153 231 H GLY 30 HN GLY 30 9.599 1.311 -6.557 232 HA2 GLY 30 HA2 GLY 30 8.701 3.409 -8.070 233 HA3 GLY 30 HA1 GLY 30 9.131 2.169 -9.238 234 H TYR 31 HN TYR 31 6.588 2.908 -9.219 235 HA TYR 31 HA TYR 31 4.967 1.606 -7.292 236 HB2 TYR 31 HB2 TYR 31 4.221 2.734 -9.991 237 HB3 TYR 31 HB1 TYR 31 3.091 2.280 -8.716 238 HD1 TYR 31 HD1 TYR 31 3.939 3.341 -6.321 239 HD2 TYR 31 HD2 TYR 31 4.509 5.014 -10.185 240 HE1 TYR 31 HE1 TYR 31 4.167 5.563 -5.314 241 HE2 TYR 31 HE2 TYR 31 4.735 7.250 -9.190 242 HH TYR 31 HH TYR 31 3.996 8.411 -7.093 243 H SER 32 HN SER 32 6.198 0.661 -10.439 244 HA SER 32 HA SER 32 4.352 -1.357 -11.046 245 HB2 SER 32 HB2 SER 32 7.290 -1.305 -11.749 246 HB3 SER 32 HB1 SER 32 6.035 -2.250 -12.553 247 HG SER 32 HG SER 32 5.391 0.393 -12.425 248 H GLU 33 HN GLU 33 7.541 -1.662 -9.485 249 HA GLU 33 HA GLU 33 7.145 -4.423 -8.884 250 HB2 GLU 33 HB2 GLU 33 9.187 -2.415 -7.939 251 HB3 GLU 33 HB1 GLU 33 9.207 -4.108 -7.470 252 HG2 GLU 33 HG2 GLU 33 9.419 -4.759 -9.814 253 HG3 GLU 33 HG1 GLU 33 9.392 -3.062 -10.287 254 H LEU 34 HN LEU 34 6.583 -1.418 -7.218 255 HA LEU 34 HA LEU 34 6.197 -2.347 -4.609 256 HB2 LEU 34 HB2 LEU 34 6.280 0.027 -5.153 257 HB3 LEU 34 HB1 LEU 34 4.818 -0.119 -6.109 258 HG LEU 34 HG LEU 34 3.774 -0.911 -3.836 259 HD11 LEU 34 HD11 LEU 34 6.091 0.759 -2.903 260 HD12 LEU 34 HD12 LEU 34 5.841 -0.956 -2.577 261 HD13 LEU 34 HD13 LEU 34 4.726 0.239 -1.915 262 HD21 LEU 34 HD21 LEU 34 3.023 1.013 -5.066 263 HD22 LEU 34 HD22 LEU 34 4.412 1.948 -4.522 264 HD23 LEU 34 HD23 LEU 34 3.185 1.441 -3.363 265 H LEU 35 HN LEU 35 3.789 -1.801 -7.172 266 HA LEU 35 HA LEU 35 1.616 -2.890 -5.752 267 HB2 LEU 35 HB2 LEU 35 2.082 -2.437 -8.691 268 HB3 LEU 35 HB1 LEU 35 0.543 -2.899 -8.005 269 HG LEU 35 HG LEU 35 1.979 -0.392 -7.167 270 HD11 LEU 35 HD11 LEU 35 -0.093 -0.687 -9.332 271 HD12 LEU 35 HD12 LEU 35 1.608 -0.287 -9.569 272 HD13 LEU 35 HD13 LEU 35 0.552 0.833 -8.710 273 HD21 LEU 35 HD21 LEU 35 0.244 -1.192 -5.653 274 HD22 LEU 35 HD22 LEU 35 -0.908 -1.245 -6.987 275 HD23 LEU 35 HD23 LEU 35 -0.252 0.300 -6.448 276 H LYS 36 HN LYS 36 3.951 -4.216 -7.935 277 HA LYS 36 HA LYS 36 2.680 -6.644 -8.551 278 HB2 LYS 36 HB2 LYS 36 4.654 -5.531 -9.717 279 HB3 LYS 36 HB1 LYS 36 5.658 -6.195 -8.438 280 HG2 LYS 36 HG2 LYS 36 5.756 -7.586 -10.399 281 HG3 LYS 36 HG1 LYS 36 4.966 -8.456 -9.080 282 HD2 LYS 36 HD2 LYS 36 2.784 -7.952 -10.047 283 HD3 LYS 36 HD1 LYS 36 3.557 -7.040 -11.343 284 HE2 LYS 36 HE2 LYS 36 4.727 -9.108 -12.036 285 HE3 LYS 36 HE1 LYS 36 3.835 -9.990 -10.797 286 HZ1 LYS 36 HZ1 LYS 36 2.639 -8.541 -13.098 287 HZ2 LYS 36 HZ2 LYS 36 1.772 -9.362 -11.904 288 HZ3 LYS 36 HZ3 LYS 36 2.784 -10.220 -12.950 289 H ALA 37 HN ALA 37 4.741 -5.670 -5.884 290 HA ALA 37 HA ALA 37 5.228 -8.305 -4.901 291 HB1 ALA 37 HB1 ALA 37 6.109 -7.203 -2.926 292 HB2 ALA 37 HB2 ALA 37 5.417 -5.670 -3.455 293 HB3 ALA 37 HB3 ALA 37 6.708 -6.424 -4.390 294 H LEU 38 HN LEU 38 2.777 -5.893 -4.373 295 HA LEU 38 HA LEU 38 1.572 -7.003 -2.040 296 HB2 LEU 38 HB2 LEU 38 -0.083 -5.624 -4.075 297 HB3 LEU 38 HB1 LEU 38 -0.058 -5.411 -2.344 298 HG LEU 38 HG LEU 38 2.103 -4.409 -4.170 299 HD11 LEU 38 HD11 LEU 38 1.030 -2.228 -3.958 300 HD12 LEU 38 HD12 LEU 38 -0.299 -2.976 -3.072 301 HD13 LEU 38 HD13 LEU 38 -0.012 -3.408 -4.758 302 HD21 LEU 38 HD21 LEU 38 2.744 -3.031 -2.299 303 HD22 LEU 38 HD22 LEU 38 2.705 -4.718 -1.786 304 HD23 LEU 38 HD23 LEU 38 1.389 -3.631 -1.343 305 H GLU 39 HN GLU 39 0.667 -7.085 -5.467 306 HA GLU 39 HA GLU 39 -1.305 -9.021 -5.406 307 HB2 GLU 39 HB2 GLU 39 0.865 -8.766 -7.497 308 HB3 GLU 39 HB1 GLU 39 -0.703 -9.534 -7.715 309 HG2 GLU 39 HG2 GLU 39 -1.747 -7.310 -7.234 310 HG3 GLU 39 HG1 GLU 39 -0.126 -6.616 -7.301 311 H THR 40 HN THR 40 2.139 -9.327 -5.147 312 HA THR 40 HA THR 40 2.300 -12.147 -5.446 313 HB THR 40 HB THR 40 4.158 -10.069 -4.311 314 HG1 THR 40 HG1 THR 40 4.090 -9.965 -6.510 315 HG21 THR 40 HG21 THR 40 4.546 -12.179 -3.131 316 HG22 THR 40 HG22 THR 40 5.898 -11.760 -4.193 317 HG23 THR 40 HG23 THR 40 4.746 -13.003 -4.683 318 H MET 41 HN MET 41 1.684 -10.003 -2.730 319 HA MET 41 HA MET 41 2.649 -11.698 -0.705 320 HB2 MET 41 HB2 MET 41 0.647 -9.437 -0.671 321 HB3 MET 41 HB1 MET 41 1.227 -10.229 0.785 322 HG2 MET 41 HG2 MET 41 3.119 -8.995 -1.182 323 HG3 MET 41 HG1 MET 41 2.325 -8.033 0.062 324 HE1 MET 41 HE1 MET 41 3.704 -9.421 3.354 325 HE2 MET 41 HE2 MET 41 2.181 -9.831 2.564 326 HE3 MET 41 HE3 MET 41 2.760 -8.166 2.546 327 H PHE 42 HN PHE 42 -0.718 -10.985 -1.665 328 HA PHE 42 HA PHE 42 -1.493 -13.467 -0.292 329 HB2 PHE 42 HB2 PHE 42 -3.875 -12.095 -0.706 330 HB3 PHE 42 HB1 PHE 42 -2.967 -12.192 0.795 331 HD1 PHE 42 HD2 PHE 42 -3.041 -10.228 -2.367 332 HD2 PHE 42 HD1 PHE 42 -2.368 -10.253 1.828 333 HE1 PHE 42 HE2 PHE 42 -2.722 -7.804 -2.415 334 HE2 PHE 42 HE1 PHE 42 -2.042 -7.818 1.786 335 HZ PHE 42 HZ PHE 42 -2.223 -6.608 -0.343 336 H LYS 43 HN LYS 43 -0.681 -12.740 -3.170 337 HA LYS 43 HA LYS 43 -0.864 -13.819 -5.152 338 HB2 LYS 43 HB2 LYS 43 -2.767 -15.840 -4.071 339 HB3 LYS 43 HB1 LYS 43 -1.377 -16.061 -5.117 340 HG2 LYS 43 HG2 LYS 43 -1.337 -15.581 -2.148 341 HG3 LYS 43 HG1 LYS 43 -0.977 -17.097 -2.975 342 HD2 LYS 43 HD2 LYS 43 0.914 -15.854 -4.115 343 HD3 LYS 43 HD1 LYS 43 0.596 -14.537 -2.975 344 HE2 LYS 43 HE2 LYS 43 1.314 -17.372 -2.228 345 HE3 LYS 43 HE1 LYS 43 2.415 -15.997 -2.208 346 HZ1 LYS 43 HZ1 LYS 43 1.584 -16.441 -0.008 347 HZ2 LYS 43 HZ2 LYS 43 -0.018 -16.318 -0.533 348 HZ3 LYS 43 HZ3 LYS 43 0.982 -14.950 -0.540 349 H LEU 44 HN LEU 44 -2.422 -11.693 -5.229 350 HA LEU 44 HA LEU 44 -4.674 -12.570 -6.824 351 HB2 LEU 44 HB2 LEU 44 -6.218 -10.969 -5.599 352 HB3 LEU 44 HB1 LEU 44 -5.851 -12.492 -4.818 353 HG LEU 44 HG LEU 44 -4.006 -11.101 -3.612 354 HD11 LEU 44 HD11 LEU 44 -5.987 -8.963 -4.384 355 HD12 LEU 44 HD12 LEU 44 -4.302 -9.057 -4.897 356 HD13 LEU 44 HD13 LEU 44 -4.693 -8.787 -3.198 357 HD21 LEU 44 HD21 LEU 44 -5.855 -12.222 -2.529 358 HD22 LEU 44 HD22 LEU 44 -6.935 -10.896 -2.960 359 HD23 LEU 44 HD23 LEU 44 -5.610 -10.621 -1.828 360 H THR 45 HN THR 45 -5.949 -10.193 -7.277 361 HA THR 45 HA THR 45 -3.834 -8.810 -8.766 362 HB THR 45 HB THR 45 -6.816 -8.612 -9.193 363 HG1 THR 45 HG1 THR 45 -5.153 -10.684 -9.679 364 HG21 THR 45 HG21 THR 45 -4.479 -8.027 -11.014 365 HG22 THR 45 HG22 THR 45 -5.463 -6.818 -10.188 366 HG23 THR 45 HG23 THR 45 -6.185 -7.850 -11.423 367 H ILE 46 HN ILE 46 -3.236 -6.804 -8.266 368 HA ILE 46 HA ILE 46 -4.988 -5.161 -6.554 369 HB ILE 46 HB ILE 46 -2.039 -4.867 -7.172 370 HG12 ILE 46 HG12 ILE 46 -2.537 -6.654 -5.530 371 HG13 ILE 46 HG11 ILE 46 -1.700 -5.300 -4.791 372 HG21 ILE 46 HG21 ILE 46 -3.147 -2.685 -6.994 373 HG22 ILE 46 HG22 ILE 46 -2.039 -2.968 -5.649 374 HG23 ILE 46 HG23 ILE 46 -3.778 -3.139 -5.410 375 HD11 ILE 46 HD11 ILE 46 -3.452 -6.135 -3.364 376 HD12 ILE 46 HD12 ILE 46 -4.637 -5.846 -4.635 377 HD13 ILE 46 HD13 ILE 46 -3.799 -4.488 -3.889 378 H GLY 47 HN GLY 47 -5.935 -3.374 -7.405 379 HA2 GLY 47 HA2 GLY 47 -5.181 -2.550 -10.086 380 HA3 GLY 47 HA1 GLY 47 -6.565 -1.965 -9.190 381 H GLU 48 HN GLU 48 -4.343 -0.624 -10.599 382 HA GLU 48 HA GLU 48 -2.530 0.470 -8.687 383 HB2 GLU 48 HB2 GLU 48 -1.723 1.844 -10.476 384 HB3 GLU 48 HB1 GLU 48 -2.039 0.237 -11.113 385 HG2 GLU 48 HG2 GLU 48 -4.042 0.964 -12.171 386 HG3 GLU 48 HG1 GLU 48 -3.970 2.527 -11.358 387 H TYR 49 HN TYR 49 -2.259 2.980 -8.838 388 HA TYR 49 HA TYR 49 -4.471 4.081 -7.415 389 HB2 TYR 49 HB2 TYR 49 -1.974 4.623 -7.093 390 HB3 TYR 49 HB1 TYR 49 -2.159 5.691 -8.482 391 HD1 TYR 49 HD2 TYR 49 -3.304 5.035 -5.057 392 HD2 TYR 49 HD1 TYR 49 -3.225 7.828 -8.248 393 HE1 TYR 49 HE2 TYR 49 -4.193 6.744 -3.541 394 HE2 TYR 49 HE1 TYR 49 -4.107 9.572 -6.752 395 HH TYR 49 HH TYR 49 -4.184 9.262 -3.395 396 H SER 50 HN SER 50 -6.091 3.817 -9.060 397 HA SER 50 HA SER 50 -6.205 5.328 -11.423 398 HB2 SER 50 HB2 SER 50 -8.557 4.693 -9.674 399 HB3 SER 50 HB1 SER 50 -8.507 4.791 -11.428 400 HG SER 50 HG SER 50 -7.588 2.838 -11.543 401 H GLU 51 HN GLU 51 -6.218 7.526 -11.607 402 HA GLU 51 HA GLU 51 -5.934 9.127 -9.330 403 HB2 GLU 51 HB2 GLU 51 -5.004 9.619 -11.572 404 HB3 GLU 51 HB1 GLU 51 -6.622 10.008 -12.134 405 HG2 GLU 51 HG2 GLU 51 -6.753 11.870 -10.629 406 HG3 GLU 51 HG1 GLU 51 -5.206 11.438 -9.902 407 H ARG 52 HN ARG 52 -8.779 8.051 -10.877 408 HA ARG 52 HA ARG 52 -10.450 10.243 -10.288 409 HB2 ARG 52 HB2 ARG 52 -12.285 8.792 -10.932 410 HB3 ARG 52 HB1 ARG 52 -10.949 8.655 -12.061 411 HG2 ARG 52 HG2 ARG 52 -11.303 6.461 -11.864 412 HG3 ARG 52 HG1 ARG 52 -10.404 6.619 -10.352 413 HD2 ARG 52 HD2 ARG 52 -12.449 5.419 -9.923 414 HD3 ARG 52 HD1 ARG 52 -12.534 7.015 -9.174 415 HE ARG 52 HE ARG 52 -13.699 7.429 -11.573 416 HH11 ARG 52 HH11 ARG 52 -14.252 5.036 -9.066 417 HH12 ARG 52 HH12 ARG 52 -15.916 4.806 -9.498 418 HH21 ARG 52 HH21 ARG 52 -15.895 7.133 -12.108 419 HH22 ARG 52 HH22 ARG 52 -16.855 6.007 -11.201 420 H GLU 53 HN GLU 53 -10.098 7.085 -8.573 421 HA GLU 53 HA GLU 53 -11.192 8.465 -6.205 422 HB2 GLU 53 HB2 GLU 53 -11.507 5.619 -7.089 423 HB3 GLU 53 HB1 GLU 53 -11.675 6.054 -5.397 424 HG2 GLU 53 HG2 GLU 53 -13.509 7.508 -5.897 425 HG3 GLU 53 HG1 GLU 53 -13.291 7.251 -7.621 426 H GLY 54 HN GLY 54 -8.739 6.566 -7.557 427 HA2 GLY 54 HA2 GLY 54 -6.828 5.563 -6.907 428 HA3 GLY 54 HA1 GLY 54 -6.628 7.028 -5.979 429 H TYR 55 HN TYR 55 -9.263 5.260 -4.732 430 HA TYR 55 HA TYR 55 -7.420 3.838 -2.935 431 HB2 TYR 55 HB2 TYR 55 -9.988 5.144 -2.047 432 HB3 TYR 55 HB1 TYR 55 -8.819 4.324 -1.029 433 HD1 TYR 55 HD2 TYR 55 -6.325 5.529 -2.325 434 HD2 TYR 55 HD1 TYR 55 -9.961 7.259 -0.982 435 HE1 TYR 55 HE2 TYR 55 -5.166 7.645 -1.958 436 HE2 TYR 55 HE1 TYR 55 -8.811 9.384 -0.591 437 HH TYR 55 HH TYR 55 -5.450 9.863 -1.578 438 H LYS 56 HN LYS 56 -9.364 3.163 -5.308 439 HA LYS 56 HA LYS 56 -11.434 1.679 -4.017 440 HB2 LYS 56 HB2 LYS 56 -11.307 0.835 -6.672 441 HB3 LYS 56 HB1 LYS 56 -12.377 2.045 -5.994 442 HG2 LYS 56 HG2 LYS 56 -11.504 3.354 -7.578 443 HG3 LYS 56 HG1 LYS 56 -10.172 3.549 -6.456 444 HD2 LYS 56 HD2 LYS 56 -10.300 1.479 -8.612 445 HD3 LYS 56 HD1 LYS 56 -9.484 3.016 -8.784 446 HE2 LYS 56 HE2 LYS 56 -7.910 2.394 -7.067 447 HE3 LYS 56 HE1 LYS 56 -8.801 0.904 -6.759 448 HZ1 LYS 56 HZ1 LYS 56 -6.793 0.595 -8.154 449 HZ2 LYS 56 HZ2 LYS 56 -7.515 1.553 -9.357 450 HZ3 LYS 56 HZ3 LYS 56 -8.222 0.080 -8.912 451 H GLY 57 HN GLY 57 -8.237 1.058 -4.983 452 HA2 GLY 57 HA2 GLY 57 -6.916 -0.794 -5.099 453 HA3 GLY 57 HA1 GLY 57 -8.035 -1.505 -3.954 454 H SER 58 HN SER 58 -9.937 -0.850 -6.494 455 HA SER 58 HA SER 58 -11.003 -2.120 -8.018 456 HB2 SER 58 HB2 SER 58 -8.459 -3.750 -8.176 457 HB3 SER 58 HB1 SER 58 -9.763 -3.712 -9.364 458 HG SER 58 HG SER 58 -8.780 -2.071 -10.215 459 H GLU 59 HN GLU 59 -9.006 -4.710 -6.538 460 HA GLU 59 HA GLU 59 -11.398 -5.421 -4.987 461 HB2 GLU 59 HB2 GLU 59 -10.806 -7.175 -6.630 462 HB3 GLU 59 HB1 GLU 59 -9.249 -7.355 -5.824 463 HG2 GLU 59 HG2 GLU 59 -10.308 -8.025 -3.790 464 HG3 GLU 59 HG1 GLU 59 -11.899 -7.677 -4.447 465 H TYR 60 HN TYR 60 -7.965 -4.803 -4.921 466 HA TYR 60 HA TYR 60 -8.177 -4.710 -1.999 467 HB2 TYR 60 HB2 TYR 60 -6.186 -6.231 -3.590 468 HB3 TYR 60 HB1 TYR 60 -5.595 -5.373 -2.177 469 HD1 TYR 60 HD2 TYR 60 -8.005 -7.941 -3.321 470 HD2 TYR 60 HD1 TYR 60 -5.979 -6.208 -0.014 471 HE1 TYR 60 HE2 TYR 60 -8.808 -9.759 -1.887 472 HE2 TYR 60 HE1 TYR 60 -6.779 -8.000 1.446 473 HH TYR 60 HH TYR 60 -8.077 -10.863 0.280 474 H ALA 61 HN ALA 61 -7.621 -2.839 -1.217 475 HA ALA 61 HA ALA 61 -6.087 -1.005 -2.915 476 HB1 ALA 61 HB1 ALA 61 -8.291 -0.216 -2.207 477 HB2 ALA 61 HB2 ALA 61 -7.009 0.781 -1.519 478 HB3 ALA 61 HB3 ALA 61 -7.825 -0.420 -0.519 479 HA PRO 62 HA PRO 62 -2.797 -1.837 0.093 480 HB2 PRO 62 HB2 PRO 62 -0.857 -0.688 -1.436 481 HB3 PRO 62 HB1 PRO 62 -1.381 -2.362 -1.635 482 HG2 PRO 62 HG2 PRO 62 -2.147 0.057 -3.212 483 HG3 PRO 62 HG1 PRO 62 -1.777 -1.581 -3.780 484 HD2 PRO 62 HD2 PRO 62 -4.306 -0.667 -3.528 485 HD3 PRO 62 HD1 PRO 62 -3.882 -2.374 -3.267 486 H THR 63 HN THR 63 -2.705 -0.488 1.762 487 HA THR 63 HA THR 63 -2.547 2.387 1.201 488 HB THR 63 HB THR 63 -3.882 2.786 3.272 489 HG1 THR 63 HG1 THR 63 -3.745 0.043 3.359 490 HG21 THR 63 HG21 THR 63 -4.927 2.930 1.068 491 HG22 THR 63 HG22 THR 63 -6.059 2.290 2.263 492 HG23 THR 63 HG23 THR 63 -5.283 1.199 1.114 493 H TYR 64 HN TYR 64 -1.711 3.638 3.010 494 HA TYR 64 HA TYR 64 0.222 2.138 4.628 495 HB2 TYR 64 HB2 TYR 64 2.003 3.528 3.987 496 HB3 TYR 64 HB1 TYR 64 1.162 3.214 2.473 497 HD1 TYR 64 HD2 TYR 64 -0.788 5.032 1.973 498 HD2 TYR 64 HD1 TYR 64 2.633 5.656 4.390 499 HE1 TYR 64 HE2 TYR 64 -1.001 7.454 1.634 500 HE2 TYR 64 HE1 TYR 64 2.451 8.074 4.069 501 HH TYR 64 HH TYR 64 1.531 9.644 2.613 502 H GLU 65 HN GLU 65 1.107 3.544 6.391 503 HA GLU 65 HA GLU 65 -1.033 5.315 7.375 504 HB2 GLU 65 HB2 GLU 65 -0.510 3.264 8.727 505 HB3 GLU 65 HB1 GLU 65 1.103 3.930 9.005 506 HG2 GLU 65 HG2 GLU 65 0.019 5.927 10.028 507 HG3 GLU 65 HG1 GLU 65 -1.527 5.090 9.894 508 H ASP 66 HN ASP 66 -0.582 7.385 7.161 509 HA ASP 66 HA ASP 66 2.135 8.366 7.006 510 HB2 ASP 66 HB2 ASP 66 0.203 9.323 5.679 511 HB3 ASP 66 HB1 ASP 66 -0.425 9.979 7.186 512 H LYS 67 HN LYS 67 2.181 10.696 8.422 513 HA LYS 67 HA LYS 67 3.009 9.662 10.897 514 HB2 LYS 67 HB2 LYS 67 3.550 11.992 11.473 515 HB3 LYS 67 HB1 LYS 67 4.157 11.523 9.895 516 HG2 LYS 67 HG2 LYS 67 1.946 12.602 9.035 517 HG3 LYS 67 HG1 LYS 67 1.974 13.424 10.598 518 HD2 LYS 67 HD2 LYS 67 3.239 14.934 9.505 519 HD3 LYS 67 HD1 LYS 67 4.535 13.774 9.797 520 HE2 LYS 67 HE2 LYS 67 2.922 14.173 7.289 521 HE3 LYS 67 HE1 LYS 67 4.659 14.352 7.503 522 HZ1 LYS 67 HZ1 LYS 67 4.588 11.858 8.057 523 HZ2 LYS 67 HZ2 LYS 67 4.439 12.329 6.442 524 HZ3 LYS 67 HZ3 LYS 67 3.062 11.874 7.311 525 H ASP 68 HN ASP 68 0.136 11.513 9.984 526 HA ASP 68 HA ASP 68 -0.747 11.733 12.735 527 HB2 ASP 68 HB2 ASP 68 -1.202 13.487 10.986 528 HB3 ASP 68 HB1 ASP 68 -2.314 12.360 10.224 529 H GLY 69 HN GLY 69 -0.645 9.236 10.648 530 HA2 GLY 69 HA2 GLY 69 -1.585 7.121 11.012 531 HA3 GLY 69 HA1 GLY 69 -2.815 7.864 12.022 532 H ASP 70 HN ASP 70 -2.132 9.216 8.925 533 HA ASP 70 HA ASP 70 -4.818 8.668 8.027 534 HB2 ASP 70 HB2 ASP 70 -2.538 10.019 6.561 535 HB3 ASP 70 HB1 ASP 70 -4.234 10.041 6.091 536 H TRP 71 HN TRP 71 -5.427 7.046 6.709 537 HA TRP 71 HA TRP 71 -3.289 5.470 5.438 538 HB2 TRP 71 HB2 TRP 71 -6.053 4.651 6.344 539 HB3 TRP 71 HB1 TRP 71 -5.014 3.627 5.364 540 HD1 TRP 71 HD1 TRP 71 -5.124 5.224 8.878 541 HE1 TRP 71 HE1 TRP 71 -3.714 3.765 10.462 542 HE3 TRP 71 HE3 TRP 71 -3.258 1.898 5.478 543 HZ2 TRP 71 HZ2 TRP 71 -2.031 1.512 10.290 544 HZ3 TRP 71 HZ3 TRP 71 -1.750 0.127 6.269 545 HH2 TRP 71 HH2 TRP 71 -1.153 -0.065 8.627 546 H MET 72 HN MET 72 -3.074 5.933 3.390 547 HA MET 72 HA MET 72 -5.463 5.939 1.685 548 HB2 MET 72 HB2 MET 72 -3.077 7.712 1.166 549 HB3 MET 72 HB1 MET 72 -4.621 7.711 0.334 550 HG2 MET 72 HG2 MET 72 -5.724 8.720 2.153 551 HG3 MET 72 HG1 MET 72 -4.355 8.441 3.229 552 HE1 MET 72 HE1 MET 72 -1.918 9.234 1.217 553 HE2 MET 72 HE2 MET 72 -1.996 9.630 2.935 554 HE3 MET 72 HE3 MET 72 -1.671 10.897 1.754 555 H LEU 73 HN LEU 73 -4.547 5.701 -0.743 556 HA LEU 73 HA LEU 73 -3.181 3.215 -0.753 557 HB2 LEU 73 HB2 LEU 73 -4.692 4.635 -2.588 558 HB3 LEU 73 HB1 LEU 73 -3.091 4.619 -3.286 559 HG LEU 73 HG LEU 73 -3.108 2.104 -2.929 560 HD11 LEU 73 HD11 LEU 73 -4.906 1.988 -1.334 561 HD12 LEU 73 HD12 LEU 73 -5.337 1.084 -2.785 562 HD13 LEU 73 HD13 LEU 73 -6.026 2.679 -2.503 563 HD21 LEU 73 HD21 LEU 73 -3.351 3.032 -5.136 564 HD22 LEU 73 HD22 LEU 73 -5.058 3.366 -4.847 565 HD23 LEU 73 HD23 LEU 73 -4.489 1.698 -4.944 566 H VAL 74 HN VAL 74 -1.195 2.713 -1.693 567 HA VAL 74 HA VAL 74 0.876 4.640 -1.203 568 HB VAL 74 HB VAL 74 2.397 2.814 -2.134 569 HG11 VAL 74 HG11 VAL 74 0.689 2.207 0.277 570 HG12 VAL 74 HG12 VAL 74 2.086 3.282 0.246 571 HG13 VAL 74 HG13 VAL 74 2.297 1.556 -0.048 572 HG21 VAL 74 HG21 VAL 74 0.642 1.595 -3.381 573 HG22 VAL 74 HG22 VAL 74 -0.115 1.159 -1.848 574 HG23 VAL 74 HG23 VAL 74 1.497 0.565 -2.234 575 H GLY 75 HN GLY 75 1.781 5.960 -2.593 576 HA2 GLY 75 HA2 GLY 75 2.481 6.548 -4.839 577 HA3 GLY 75 HA1 GLY 75 1.090 5.652 -5.442 578 H ASP 76 HN ASP 76 0.115 7.189 -2.716 579 HA ASP 76 HA ASP 76 -1.511 9.085 -4.016 580 HB2 ASP 76 HB2 ASP 76 -1.909 8.107 -1.725 581 HB3 ASP 76 HB1 ASP 76 -0.642 9.169 -1.119 582 H VAL 77 HN VAL 77 1.326 9.637 -1.922 583 HA VAL 77 HA VAL 77 1.803 12.160 -3.340 584 HB VAL 77 HB VAL 77 3.241 12.827 -1.550 585 HG11 VAL 77 HG11 VAL 77 0.829 11.456 -0.376 586 HG12 VAL 77 HG12 VAL 77 0.868 13.067 -1.097 587 HG13 VAL 77 HG13 VAL 77 1.760 12.744 0.390 588 HG21 VAL 77 HG21 VAL 77 4.350 10.636 -1.210 589 HG22 VAL 77 HG22 VAL 77 2.929 10.100 -0.311 590 HG23 VAL 77 HG23 VAL 77 3.901 11.440 0.294 591 HA PRO 78 HA PRO 78 5.042 10.626 -5.851 592 HB2 PRO 78 HB2 PRO 78 7.115 12.402 -5.288 593 HB3 PRO 78 HB1 PRO 78 5.836 12.652 -6.480 594 HG2 PRO 78 HG2 PRO 78 6.049 13.670 -3.681 595 HG3 PRO 78 HG1 PRO 78 5.418 14.479 -5.127 596 HD2 PRO 78 HD2 PRO 78 3.773 13.486 -3.274 597 HD3 PRO 78 HD1 PRO 78 3.373 13.376 -5.001 598 H TRP 79 HN TRP 79 6.539 9.094 -5.764 599 HA TRP 79 HA TRP 79 7.020 7.555 -3.638 600 HB2 TRP 79 HB2 TRP 79 7.572 7.022 -5.990 601 HB3 TRP 79 HB1 TRP 79 9.016 8.015 -5.851 602 HD1 TRP 79 HD1 TRP 79 11.139 6.906 -4.791 603 HE1 TRP 79 HE1 TRP 79 11.671 4.542 -3.921 604 HE3 TRP 79 HE3 TRP 79 6.400 5.003 -4.708 605 HZ2 TRP 79 HZ2 TRP 79 10.258 2.180 -3.299 606 HZ3 TRP 79 HZ3 TRP 79 6.079 2.695 -3.972 607 HH2 TRP 79 HH2 TRP 79 7.964 1.305 -3.276 608 H ASP 80 HN ASP 80 9.372 10.038 -4.699 609 HA ASP 80 HA ASP 80 11.374 9.532 -2.860 610 HB2 ASP 80 HB2 ASP 80 11.694 11.098 -4.681 611 HB3 ASP 80 HB1 ASP 80 10.496 12.192 -3.999 612 H MET 81 HN MET 81 8.523 11.565 -2.455 613 HA MET 81 HA MET 81 9.245 12.298 0.253 614 HB2 MET 81 HB2 MET 81 6.720 12.801 -1.337 615 HB3 MET 81 HB1 MET 81 7.082 13.494 0.237 616 HG2 MET 81 HG2 MET 81 8.879 14.771 -0.652 617 HG3 MET 81 HG1 MET 81 8.779 13.936 -2.200 618 HE1 MET 81 HE1 MET 81 6.908 16.337 0.284 619 HE2 MET 81 HE2 MET 81 5.686 15.113 -0.065 620 HE3 MET 81 HE3 MET 81 5.473 16.763 -0.649 621 H PHE 82 HN PHE 82 7.466 9.868 -1.372 622 HA PHE 82 HA PHE 82 5.491 9.360 0.592 623 HB2 PHE 82 HB2 PHE 82 5.469 8.672 -1.884 624 HB3 PHE 82 HB1 PHE 82 6.479 7.314 -1.386 625 HD1 PHE 82 HD1 PHE 82 5.591 5.722 0.379 626 HD2 PHE 82 HD2 PHE 82 3.184 8.640 -1.586 627 HE1 PHE 82 HE1 PHE 82 3.539 4.546 1.105 628 HE2 PHE 82 HE2 PHE 82 1.151 7.476 -0.869 629 HZ PHE 82 HZ PHE 82 1.314 5.448 0.491 630 H VAL 83 HN VAL 83 8.713 8.082 0.024 631 HA VAL 83 HA VAL 83 8.422 5.725 1.507 632 HB VAL 83 HB VAL 83 11.043 7.176 1.357 633 HG11 VAL 83 HG11 VAL 83 11.930 4.934 1.283 634 HG12 VAL 83 HG12 VAL 83 10.298 4.269 1.196 635 HG13 VAL 83 HG13 VAL 83 10.836 5.097 2.656 636 HG21 VAL 83 HG21 VAL 83 11.403 6.117 -0.841 637 HG22 VAL 83 HG22 VAL 83 10.122 7.327 -0.873 638 HG23 VAL 83 HG23 VAL 83 9.714 5.612 -0.853 639 H THR 84 HN THR 84 9.537 8.928 2.477 640 HA THR 84 HA THR 84 10.051 8.117 5.183 641 HB THR 84 HB THR 84 10.372 10.581 5.547 642 HG1 THR 84 HG1 THR 84 10.335 11.885 3.642 643 HG21 THR 84 HG21 THR 84 12.252 9.159 4.908 644 HG22 THR 84 HG22 THR 84 12.389 10.736 4.130 645 HG23 THR 84 HG23 THR 84 11.829 9.341 3.204 646 H SER 85 HN SER 85 7.338 8.954 3.393 647 HA SER 85 HA SER 85 5.769 10.078 5.526 648 HB2 SER 85 HB2 SER 85 5.234 10.867 3.354 649 HB3 SER 85 HB1 SER 85 5.210 9.241 2.681 650 HG SER 85 HG SER 85 3.323 10.313 4.533 651 H CYS 86 HN CYS 86 6.336 6.922 4.125 652 HA CYS 86 HA CYS 86 4.009 5.796 5.415 653 HB2 CYS 86 HB2 CYS 86 4.541 5.001 3.195 654 HB3 CYS 86 HB1 CYS 86 6.145 4.503 3.724 655 HG CYS 86 HG CYS 86 4.716 2.180 3.395 656 H LYS 87 HN LYS 87 3.898 4.699 7.168 657 HA LYS 87 HA LYS 87 6.388 4.050 8.618 658 HB2 LYS 87 HB2 LYS 87 3.750 4.702 9.922 659 HB3 LYS 87 HB1 LYS 87 5.327 4.580 10.684 660 HG2 LYS 87 HG2 LYS 87 6.039 6.574 9.387 661 HG3 LYS 87 HG1 LYS 87 4.382 6.721 8.802 662 HD2 LYS 87 HD2 LYS 87 5.331 6.918 11.659 663 HD3 LYS 87 HD1 LYS 87 4.695 8.221 10.657 664 HE2 LYS 87 HE2 LYS 87 2.839 7.706 11.897 665 HE3 LYS 87 HE1 LYS 87 2.595 6.652 10.504 666 HZ1 LYS 87 HZ1 LYS 87 2.205 5.314 12.361 667 HZ2 LYS 87 HZ2 LYS 87 3.536 5.929 13.211 668 HZ3 LYS 87 HZ3 LYS 87 3.782 4.904 11.893 669 H ARG 88 HN ARG 88 3.107 3.153 7.847 670 HA ARG 88 HA ARG 88 3.681 0.354 8.499 671 HB2 ARG 88 HB2 ARG 88 1.216 1.878 9.374 672 HB3 ARG 88 HB1 ARG 88 1.366 0.131 9.432 673 HG2 ARG 88 HG2 ARG 88 3.141 0.302 11.061 674 HG3 ARG 88 HG1 ARG 88 3.106 2.065 10.949 675 HD2 ARG 88 HD2 ARG 88 0.818 2.084 11.777 676 HD3 ARG 88 HD1 ARG 88 0.810 0.325 11.843 677 HE ARG 88 HE ARG 88 2.797 0.764 13.472 678 HH11 ARG 88 HH11 ARG 88 -0.115 2.693 13.171 679 HH12 ARG 88 HH12 ARG 88 -0.164 3.097 14.860 680 HH21 ARG 88 HH21 ARG 88 2.737 1.322 15.692 681 HH22 ARG 88 HH22 ARG 88 1.461 2.332 16.286 682 H LEU 89 HN LEU 89 2.335 -1.127 7.307 683 HA LEU 89 HA LEU 89 1.077 0.105 4.949 684 HB2 LEU 89 HB2 LEU 89 3.470 -0.856 4.811 685 HB3 LEU 89 HB1 LEU 89 2.677 -2.420 4.878 686 HG LEU 89 HG LEU 89 1.394 -1.754 2.824 687 HD11 LEU 89 HD11 LEU 89 3.326 0.559 2.885 688 HD12 LEU 89 HD12 LEU 89 1.566 0.656 3.026 689 HD13 LEU 89 HD13 LEU 89 2.303 0.126 1.514 690 HD21 LEU 89 HD21 LEU 89 3.242 -2.150 1.316 691 HD22 LEU 89 HD22 LEU 89 3.423 -3.146 2.763 692 HD23 LEU 89 HD23 LEU 89 4.392 -1.687 2.571 693 H ARG 90 HN ARG 90 -0.965 -0.633 4.620 694 HA ARG 90 HA ARG 90 -1.400 -3.477 5.089 695 HB2 ARG 90 HB2 ARG 90 -2.350 -2.593 7.064 696 HB3 ARG 90 HB1 ARG 90 -3.174 -1.308 6.183 697 HG2 ARG 90 HG2 ARG 90 -4.508 -3.086 5.030 698 HG3 ARG 90 HG1 ARG 90 -3.786 -4.253 6.147 699 HD2 ARG 90 HD2 ARG 90 -5.998 -3.485 6.893 700 HD3 ARG 90 HD1 ARG 90 -4.724 -3.047 8.031 701 HE ARG 90 HE ARG 90 -5.681 -1.083 6.065 702 HH11 ARG 90 HH11 ARG 90 -5.185 -2.057 9.397 703 HH12 ARG 90 HH12 ARG 90 -5.635 -0.511 10.044 704 HH21 ARG 90 HH21 ARG 90 -6.281 0.952 6.933 705 HH22 ARG 90 HH22 ARG 90 -6.267 1.186 8.651 706 H ILE 91 HN ILE 91 -2.353 -4.432 3.472 707 HA ILE 91 HA ILE 91 -3.704 -2.776 1.437 708 HB ILE 91 HB ILE 91 -2.746 -5.583 1.150 709 HG12 ILE 91 HG12 ILE 91 -1.250 -3.292 -0.054 710 HG13 ILE 91 HG11 ILE 91 -0.972 -3.688 1.636 711 HG21 ILE 91 HG21 ILE 91 -2.925 -5.080 -1.270 712 HG22 ILE 91 HG22 ILE 91 -3.599 -3.508 -0.840 713 HG23 ILE 91 HG23 ILE 91 -4.454 -4.986 -0.393 714 HD11 ILE 91 HD11 ILE 91 -0.637 -5.585 -0.666 715 HD12 ILE 91 HD12 ILE 91 -0.280 -5.918 1.025 716 HD13 ILE 91 HD13 ILE 91 0.665 -4.720 0.143 717 H MET 92 HN MET 92 -5.817 -3.272 0.984 718 HA MET 92 HA MET 92 -6.969 -5.465 2.486 719 HB2 MET 92 HB2 MET 92 -8.779 -3.646 3.174 720 HB3 MET 92 HB1 MET 92 -7.383 -4.039 4.161 721 HG2 MET 92 HG2 MET 92 -6.193 -2.124 3.156 722 HG3 MET 92 HG1 MET 92 -7.663 -1.702 2.279 723 HE1 MET 92 HE1 MET 92 -6.145 0.327 4.130 724 HE2 MET 92 HE2 MET 92 -7.458 1.049 5.052 725 HE3 MET 92 HE3 MET 92 -7.657 0.749 3.327 726 H LYS 93 HN LYS 93 -8.702 -6.390 1.770 727 HA LYS 93 HA LYS 93 -9.685 -6.223 -0.759 728 HB2 LYS 93 HB2 LYS 93 -10.229 -7.748 1.414 729 HB3 LYS 93 HB1 LYS 93 -11.690 -6.767 1.359 730 HG2 LYS 93 HG2 LYS 93 -11.953 -7.436 -1.035 731 HG3 LYS 93 HG1 LYS 93 -10.625 -8.566 -0.795 732 HD2 LYS 93 HD2 LYS 93 -12.921 -8.662 1.095 733 HD3 LYS 93 HD1 LYS 93 -13.152 -9.299 -0.528 734 HE2 LYS 93 HE2 LYS 93 -12.516 -11.100 0.924 735 HE3 LYS 93 HE1 LYS 93 -11.189 -10.773 -0.182 736 HZ1 LYS 93 HZ1 LYS 93 -9.935 -9.795 1.507 737 HZ2 LYS 93 HZ2 LYS 93 -10.617 -11.162 2.234 738 HZ3 LYS 93 HZ3 LYS 93 -11.265 -9.633 2.543 739 H GLY 94 HN GLY 94 -11.361 -5.192 -1.801 740 HA2 GLY 94 HA2 GLY 94 -11.401 -2.440 -1.391 741 HA3 GLY 94 HA1 GLY 94 -12.496 -3.316 -2.436 742 H THR 95 HN THR 95 -13.578 -4.812 -0.200 743 HA THR 95 HA THR 95 -15.759 -3.133 0.432 744 HB THR 95 HB THR 95 -15.923 -5.599 0.269 745 HG1 THR 95 HG1 THR 95 -17.311 -5.844 2.077 746 HG21 THR 95 HG21 THR 95 -13.842 -6.216 1.367 747 HG22 THR 95 HG22 THR 95 -15.211 -6.991 2.167 748 HG23 THR 95 HG23 THR 95 -14.442 -5.583 2.900 749 H GLU 96 HN GLU 96 -12.676 -3.348 1.798 750 HA GLU 96 HA GLU 96 -13.566 -2.327 4.396 751 HB2 GLU 96 HB2 GLU 96 -12.052 -4.208 4.504 752 HB3 GLU 96 HB1 GLU 96 -10.898 -3.390 3.465 753 HG2 GLU 96 HG2 GLU 96 -10.230 -3.383 5.819 754 HG3 GLU 96 HG1 GLU 96 -10.445 -1.759 5.169 755 H ALA 97 HN ALA 97 -11.243 -1.570 1.805 756 HA ALA 97 HA ALA 97 -10.249 0.777 3.031 757 HB1 ALA 97 HB1 ALA 97 -9.113 1.186 0.939 758 HB2 ALA 97 HB2 ALA 97 -10.142 0.007 0.123 759 HB3 ALA 97 HB3 ALA 97 -9.006 -0.522 1.364 760 H LYS 98 HN LYS 98 -13.022 0.209 1.101 761 HA LYS 98 HA LYS 98 -13.390 2.653 -0.164 762 HB2 LYS 98 HB2 LYS 98 -15.781 2.035 -0.238 763 HB3 LYS 98 HB1 LYS 98 -14.719 0.718 -0.718 764 HG2 LYS 98 HG2 LYS 98 -14.935 -0.176 1.618 765 HG3 LYS 98 HG1 LYS 98 -16.181 1.041 1.890 766 HD2 LYS 98 HD2 LYS 98 -16.267 -1.071 -0.261 767 HD3 LYS 98 HD1 LYS 98 -17.104 -1.172 1.287 768 HE2 LYS 98 HE2 LYS 98 -18.392 0.817 0.734 769 HE3 LYS 98 HE1 LYS 98 -17.529 0.964 -0.797 770 HZ1 LYS 98 HZ1 LYS 98 -18.449 -1.145 -1.491 771 HZ2 LYS 98 HZ2 LYS 98 -19.693 -0.086 -1.069 772 HZ3 LYS 98 HZ3 LYS 98 -19.246 -1.325 -0.010 773 H GLY 99 HN GLY 99 -13.882 1.813 3.186 774 HA2 GLY 99 HA2 GLY 99 -15.638 4.010 3.720 775 HA3 GLY 99 HA1 GLY 99 -14.955 2.914 4.903 776 H LEU 100 HN LEU 100 -12.189 3.427 4.100 777 HA LEU 100 HA LEU 100 -11.980 5.972 5.527 778 HB2 LEU 100 HB2 LEU 100 -9.940 5.249 6.484 779 HB3 LEU 100 HB1 LEU 100 -11.154 4.028 6.758 780 HG LEU 100 HG LEU 100 -9.174 3.747 4.514 781 HD11 LEU 100 HD11 LEU 100 -8.770 2.746 7.326 782 HD12 LEU 100 HD12 LEU 100 -8.012 4.205 6.694 783 HD13 LEU 100 HD13 LEU 100 -7.647 2.642 5.972 784 HD21 LEU 100 HD21 LEU 100 -9.552 1.314 5.113 785 HD22 LEU 100 HD22 LEU 100 -10.919 2.152 4.394 786 HD23 LEU 100 HD23 LEU 100 -10.881 1.866 6.131 787 H GLY 101 HN GLY 101 -11.933 5.250 2.532 788 HA2 GLY 101 HA2 GLY 101 -9.448 6.221 1.549 789 HA3 GLY 101 HA1 GLY 101 -10.961 6.171 0.651 790 H CYS 102 HN CYS 102 -9.380 7.978 3.260 791 HA CYS 102 HA CYS 102 -10.943 10.331 2.696 792 HB2 CYS 102 HB2 CYS 102 -9.518 11.311 4.553 793 HB3 CYS 102 HB1 CYS 102 -10.529 9.944 4.997 794 HG CYS 102 HG CYS 102 -7.865 10.009 6.196 795 H GLY 103 HN GLY 103 -10.413 11.045 0.728 796 HA2 GLY 103 HA2 GLY 103 -8.241 12.738 0.460 797 HA3 GLY 103 HA1 GLY 103 -7.867 11.225 -0.342 798 H VAL 104 HN VAL 104 -9.700 10.414 -1.777 799 HA VAL 104 HA VAL 104 -10.731 12.699 -3.313 800 HB VAL 104 HB VAL 104 -10.540 10.026 -4.600 801 HG11 VAL 104 HG11 VAL 104 -11.503 11.906 -5.799 802 HG12 VAL 104 HG12 VAL 104 -10.013 11.369 -6.574 803 HG13 VAL 104 HG13 VAL 104 -10.014 12.827 -5.581 804 HG21 VAL 104 HG21 VAL 104 -8.383 10.133 -3.523 805 HG22 VAL 104 HG22 VAL 104 -8.129 11.771 -4.121 806 HG23 VAL 104 HG23 VAL 104 -8.190 10.418 -5.252 807 H GLY 105 HN GLY 105 -11.774 10.881 -1.079 808 HA2 GLY 105 HA2 GLY 105 -13.765 9.964 -0.404 809 HA3 GLY 105 HA1 GLY 105 -14.498 10.948 -1.659 810 H SER 106 HN SER 106 -12.626 7.932 -1.309 811 HA SER 106 HA SER 106 -13.608 6.901 -3.795 812 HB2 SER 106 HB2 SER 106 -11.379 6.340 -2.708 813 HB3 SER 106 HB1 SER 106 -12.282 5.329 -1.581 814 HG SER 106 HG SER 106 -12.725 3.929 -3.153 815 H HIS 107 HN HIS 107 -15.413 5.756 -4.158 816 HA HIS 107 HA HIS 107 -17.020 5.019 -1.804 817 HB2 HIS 107 HB2 HIS 107 -17.888 5.651 -4.632 818 HB3 HIS 107 HB1 HIS 107 -18.970 5.068 -3.372 819 HD1 HIS 107 HD1 HIS 107 -19.410 7.806 -4.741 820 HD2 HIS 107 HD2 HIS 107 -17.353 7.260 -1.174 821 HE1 HIS 107 HE1 HIS 107 -19.526 10.017 -3.551 822 HE2 HIS 107 HE2 HIS 107 -18.444 9.602 -1.314
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