NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
585684 | 2mpm | 19989 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H1 GLY 1 4.842 -15.228 -10.698 2 H2 GLY 1 H2 GLY 1 4.531 -15.536 -12.340 3 H3 GLY 1 H3 GLY 1 3.270 -15.612 -11.204 4 HA2 GLY 1 HA2 GLY 1 4.717 -13.210 -12.162 5 HA3 GLY 1 HA3 GLY 1 2.995 -13.568 -12.311 6 HA PRO 2 HA PRO 2 3.843 -10.660 -8.660 7 HB2 PRO 2 HB2 PRO 2 1.106 -9.925 -9.669 8 HB3 PRO 2 HB3 PRO 2 2.396 -8.873 -9.047 9 HG2 PRO 2 HG2 PRO 2 1.942 -9.060 -11.656 10 HG3 PRO 2 HG3 PRO 2 3.596 -8.953 -11.026 11 HD2 PRO 2 HD2 PRO 2 2.164 -11.327 -12.151 12 HD3 PRO 2 HD3 PRO 2 3.899 -10.938 -12.183 13 H ALA 3 H ALA 3 2.614 -10.541 -6.643 14 HA ALA 3 HA ALA 3 0.327 -12.240 -6.236 15 HB1 ALA 3 HB1 ALA 3 3.018 -13.078 -5.134 16 HB2 ALA 3 HB2 ALA 3 2.004 -13.986 -6.256 17 HB3 ALA 3 HB3 ALA 3 1.474 -13.736 -4.593 18 H SER 4 H SER 4 -0.495 -12.104 -4.053 19 HA SER 4 HA SER 4 0.742 -10.524 -2.042 20 HB2 SER 4 HB2 SER 4 0.307 -8.639 -3.472 21 HB3 SER 4 HB3 SER 4 -1.345 -9.175 -3.765 22 HG SER 4 HG SER 4 -0.603 -8.868 -1.112 23 H VAL 5 H VAL 5 -0.989 -12.959 -2.690 24 HA VAL 5 HA VAL 5 -3.445 -12.541 -1.269 25 HB VAL 5 HB VAL 5 -2.204 -15.242 -1.762 26 HG11 VAL 5 HG11 VAL 5 -4.336 -15.059 -0.491 27 HG12 VAL 5 HG12 VAL 5 -4.543 -15.900 -2.027 28 HG13 VAL 5 HG13 VAL 5 -5.057 -14.221 -1.866 29 HG21 VAL 5 HG21 VAL 5 -3.325 -15.123 -4.019 30 HG22 VAL 5 HG22 VAL 5 -1.923 -14.065 -3.859 31 HG23 VAL 5 HG23 VAL 5 -3.551 -13.395 -3.753 32 HA PRO 6 HA PRO 6 -0.801 -14.991 2.112 33 HB2 PRO 6 HB2 PRO 6 1.632 -13.260 1.834 34 HB3 PRO 6 HB3 PRO 6 1.517 -14.990 2.223 35 HG2 PRO 6 HG2 PRO 6 2.296 -14.201 -0.183 36 HG3 PRO 6 HG3 PRO 6 1.222 -15.601 0.006 37 HD2 PRO 6 HD2 PRO 6 0.540 -12.805 -0.860 38 HD3 PRO 6 HD3 PRO 6 -0.091 -14.354 -1.464 39 H THR 7 H THR 7 -0.290 -14.136 4.310 40 HA THR 7 HA THR 7 -1.966 -12.085 5.107 41 HB THR 7 HB THR 7 -0.675 -12.063 7.218 42 HG1 THR 7 HG1 THR 7 1.272 -12.917 7.313 43 HG21 THR 7 HG21 THR 7 -2.314 -13.866 6.747 44 HG22 THR 7 HG22 THR 7 -0.985 -14.431 7.760 45 HG23 THR 7 HG23 THR 7 -1.019 -14.835 6.044 46 H THR 8 H THR 8 -1.779 -10.245 3.831 47 HA THR 8 HA THR 8 0.193 -8.341 4.678 48 HB THR 8 HB THR 8 0.290 -9.204 1.779 49 HG1 THR 8 HG1 THR 8 1.280 -10.761 3.003 50 HG21 THR 8 HG21 THR 8 2.326 -7.728 1.806 51 HG22 THR 8 HG22 THR 8 1.868 -7.214 3.429 52 HG23 THR 8 HG23 THR 8 0.813 -6.859 2.062 53 H CYS 9 H CYS 9 -1.694 -7.180 5.210 54 HA CYS 9 HA CYS 9 -2.643 -5.429 3.182 55 HB2 CYS 9 HB2 CYS 9 -3.946 -7.498 2.615 56 HB3 CYS 9 HB3 CYS 9 -4.691 -7.405 4.210 57 H CYS 10 H CYS 10 -3.456 -3.604 4.088 58 HA CYS 10 HA CYS 10 -3.324 -3.335 6.942 59 HB2 CYS 10 HB2 CYS 10 -4.643 -1.200 5.319 60 HB3 CYS 10 HB3 CYS 10 -3.387 -1.065 6.550 61 H PHE 11 H PHE 11 -5.039 -2.833 8.376 62 HA PHE 11 HA PHE 11 -7.340 -4.344 8.214 63 HB2 PHE 11 HB2 PHE 11 -6.967 -1.690 9.626 64 HB3 PHE 11 HB3 PHE 11 -8.285 -2.821 9.932 65 HD1 PHE 11 HD2 PHE 11 -7.875 -4.983 11.012 66 HD2 PHE 11 HD1 PHE 11 -4.683 -2.194 10.319 67 HE1 PHE 11 HE2 PHE 11 -6.425 -6.257 12.570 68 HE2 PHE 11 HE1 PHE 11 -3.232 -3.467 11.876 69 HZ PHE 11 HZ PHE 11 -4.103 -5.499 13.001 70 H ASN 12 H ASN 12 -6.573 -1.403 6.620 71 HA ASN 12 HA ASN 12 -8.677 -1.496 4.799 72 HB2 ASN 12 HB2 ASN 12 -9.915 0.607 5.685 73 HB3 ASN 12 HB3 ASN 12 -10.296 -0.953 6.406 74 HD21 ASN 12 HD21 ASN 12 -10.959 0.314 8.377 75 HD22 ASN 12 HD22 ASN 12 -9.759 0.851 9.451 76 H LEU 13 H LEU 13 -8.092 1.596 6.286 77 HA LEU 13 HA LEU 13 -6.180 2.289 4.114 78 HB2 LEU 13 HB2 LEU 13 -8.009 4.240 5.514 79 HB3 LEU 13 HB3 LEU 13 -7.114 4.465 4.012 80 HG LEU 13 HG LEU 13 -9.382 2.493 4.409 81 HD11 LEU 13 HD11 LEU 13 -10.225 4.772 4.416 82 HD12 LEU 13 HD12 LEU 13 -10.601 4.032 2.859 83 HD13 LEU 13 HD13 LEU 13 -9.258 5.170 2.996 84 HD21 LEU 13 HD21 LEU 13 -7.941 1.624 2.723 85 HD22 LEU 13 HD22 LEU 13 -7.623 3.226 2.060 86 HD23 LEU 13 HD23 LEU 13 -9.203 2.475 1.835 87 H ALA 14 H ALA 14 -4.722 4.122 4.689 88 HA ALA 14 HA ALA 14 -3.425 3.569 7.192 89 HB1 ALA 14 HB1 ALA 14 -2.144 4.140 5.168 90 HB2 ALA 14 HB2 ALA 14 -1.809 5.274 6.477 91 HB3 ALA 14 HB3 ALA 14 -2.880 5.742 5.155 92 H ASN 15 H ASN 15 -2.800 6.687 7.043 93 HA ASN 15 HA ASN 15 -5.188 7.774 8.293 94 HB2 ASN 15 HB2 ASN 15 -2.640 7.316 9.855 95 HB3 ASN 15 HB3 ASN 15 -3.931 8.399 10.376 96 HD21 ASN 15 HD21 ASN 15 -6.213 7.261 10.392 97 HD22 ASN 15 HD22 ASN 15 -6.239 5.670 10.985 98 H ARG 16 H ARG 16 -2.206 9.082 9.339 99 HA ARG 16 HA ARG 16 -2.621 11.607 8.275 100 HB2 ARG 16 HB2 ARG 16 0.114 10.439 8.808 101 HB3 ARG 16 HB3 ARG 16 -0.389 12.125 8.929 102 HG2 ARG 16 HG2 ARG 16 -2.039 11.385 10.715 103 HG3 ARG 16 HG3 ARG 16 -1.246 9.814 10.690 104 HD2 ARG 16 HD2 ARG 16 0.345 12.345 11.105 105 HD3 ARG 16 HD3 ARG 16 -0.457 11.544 12.451 106 HE ARG 16 HE ARG 16 1.940 10.681 11.165 107 HH11 ARG 16 HH21 ARG 16 -0.991 9.599 12.650 108 HH12 ARG 16 HH22 ARG 16 -0.336 8.079 13.159 109 HH21 ARG 16 HH11 ARG 16 2.808 8.690 11.829 110 HH22 ARG 16 HH12 ARG 16 1.815 7.564 12.694 111 H LYS 17 H LYS 17 0.297 9.940 7.154 112 HA LYS 17 HA LYS 17 -0.529 9.656 4.462 113 HB2 LYS 17 HB2 LYS 17 0.626 11.473 3.396 114 HB3 LYS 17 HB3 LYS 17 -0.464 12.154 4.600 115 HG2 LYS 17 HG2 LYS 17 1.466 12.270 6.200 116 HG3 LYS 17 HG3 LYS 17 2.527 11.741 4.894 117 HD2 LYS 17 HD2 LYS 17 1.475 13.744 3.563 118 HD3 LYS 17 HD3 LYS 17 1.015 14.333 5.162 119 HE2 LYS 17 HE2 LYS 17 3.197 15.257 4.460 120 HE3 LYS 17 HE3 LYS 17 3.368 14.232 5.884 121 HZ1 LYS 17 HZ1 LYS 17 3.651 13.013 3.235 122 HZ2 LYS 17 HZ2 LYS 17 4.394 12.593 4.704 123 HZ3 LYS 17 HZ3 LYS 17 4.935 13.946 3.831 124 H ILE 18 H ILE 18 1.963 10.209 3.216 125 HA ILE 18 HA ILE 18 3.884 8.509 4.644 126 HB ILE 18 HB ILE 18 2.535 7.962 2.020 127 HG12 ILE 18 HG12 ILE 18 2.065 6.824 4.321 128 HG13 ILE 18 HG13 ILE 18 2.175 5.818 2.883 129 HG21 ILE 18 HG21 ILE 18 4.800 8.012 1.256 130 HG22 ILE 18 HG22 ILE 18 4.379 6.317 1.476 131 HG23 ILE 18 HG23 ILE 18 5.372 7.136 2.672 132 HD11 ILE 18 HD11 ILE 18 4.537 6.315 4.718 133 HD12 ILE 18 HD12 ILE 18 4.405 5.113 3.440 134 HD13 ILE 18 HD13 ILE 18 3.441 4.953 4.904 135 HA PRO 19 HA PRO 19 6.520 11.810 3.097 136 HB2 PRO 19 HB2 PRO 19 8.978 10.541 3.274 137 HB3 PRO 19 HB3 PRO 19 8.142 11.278 4.653 138 HG2 PRO 19 HG2 PRO 19 8.204 8.416 3.796 139 HG3 PRO 19 HG3 PRO 19 8.357 9.099 5.420 140 HD2 PRO 19 HD2 PRO 19 6.061 8.037 4.615 141 HD3 PRO 19 HD3 PRO 19 6.062 9.495 5.621 142 H LEU 20 H LEU 20 7.182 12.433 1.089 143 HA LEU 20 HA LEU 20 6.789 10.658 -1.105 144 HB2 LEU 20 HB2 LEU 20 7.563 13.528 -0.780 145 HB3 LEU 20 HB3 LEU 20 7.865 12.763 -2.340 146 HG LEU 20 HG LEU 20 5.499 12.069 -2.461 147 HD11 LEU 20 HD11 LEU 20 3.907 13.033 -0.789 148 HD12 LEU 20 HD12 LEU 20 5.292 13.560 0.168 149 HD13 LEU 20 HD13 LEU 20 5.004 11.841 -0.097 150 HD21 LEU 20 HD21 LEU 20 5.608 15.016 -1.788 151 HD22 LEU 20 HD22 LEU 20 4.601 14.210 -2.994 152 HD23 LEU 20 HD23 LEU 20 6.340 14.361 -3.254 153 H GLN 21 H GLN 21 9.612 11.583 0.715 154 HA GLN 21 HA GLN 21 11.574 11.035 -1.248 155 HB2 GLN 21 HB2 GLN 21 13.053 10.634 0.841 156 HB3 GLN 21 HB3 GLN 21 12.349 12.235 0.612 157 HG2 GLN 21 HG2 GLN 21 10.612 11.795 2.199 158 HG3 GLN 21 HG3 GLN 21 11.024 10.080 2.270 159 HE21 GLN 21 HE21 GLN 21 12.462 9.474 3.904 160 HE22 GLN 21 HE22 GLN 21 13.429 10.556 4.786 161 H ARG 22 H ARG 22 10.068 8.938 1.199 162 HA ARG 22 HA ARG 22 11.669 6.653 0.423 163 HB2 ARG 22 HB2 ARG 22 9.349 7.035 2.314 164 HB3 ARG 22 HB3 ARG 22 10.088 5.462 2.027 165 HG2 ARG 22 HG2 ARG 22 12.009 5.992 3.188 166 HG3 ARG 22 HG3 ARG 22 12.008 7.666 2.641 167 HD2 ARG 22 HD2 ARG 22 10.570 8.364 4.341 168 HD3 ARG 22 HD3 ARG 22 9.897 6.754 4.579 169 HE ARG 22 HE ARG 22 12.597 6.596 5.255 170 HH11 ARG 22 HH21 ARG 22 9.749 8.292 6.249 171 HH12 ARG 22 HH22 ARG 22 10.240 8.427 7.904 172 HH21 ARG 22 HH11 ARG 22 13.246 6.767 7.423 173 HH22 ARG 22 HH12 ARG 22 12.220 7.563 8.570 174 H LEU 23 H LEU 23 8.262 7.610 0.101 175 HA LEU 23 HA LEU 23 7.079 5.466 -1.049 176 HB2 LEU 23 HB2 LEU 23 5.684 7.296 -0.788 177 HB3 LEU 23 HB3 LEU 23 6.851 8.411 -1.454 178 HG LEU 23 HG LEU 23 4.782 8.046 -2.837 179 HD11 LEU 23 HD11 LEU 23 6.872 7.175 -4.715 180 HD12 LEU 23 HD12 LEU 23 7.371 8.511 -3.682 181 HD13 LEU 23 HD13 LEU 23 5.928 8.661 -4.669 182 HD21 LEU 23 HD21 LEU 23 5.203 5.352 -2.379 183 HD22 LEU 23 HD22 LEU 23 5.767 5.546 -4.034 184 HD23 LEU 23 HD23 LEU 23 4.142 6.028 -3.604 185 H GLU 24 H GLU 24 7.286 4.250 -2.836 186 HA GLU 24 HA GLU 24 9.293 5.046 -4.860 187 HB2 GLU 24 HB2 GLU 24 9.800 2.945 -3.789 188 HB3 GLU 24 HB3 GLU 24 8.170 2.349 -4.087 189 HG2 GLU 24 HG2 GLU 24 8.527 2.230 -6.436 190 HG3 GLU 24 HG3 GLU 24 9.995 3.202 -6.337 191 H SER 25 H SER 25 6.220 3.211 -4.735 192 HA SER 25 HA SER 25 5.137 4.741 -6.954 193 HB2 SER 25 HB2 SER 25 6.610 2.911 -7.963 194 HB3 SER 25 HB3 SER 25 5.439 1.761 -7.321 195 HG SER 25 HG SER 25 5.197 2.747 -9.575 196 H TYR 26 H TYR 26 2.915 3.721 -7.595 197 HA TYR 26 HA TYR 26 1.571 2.783 -5.118 198 HB2 TYR 26 HB2 TYR 26 -0.365 4.032 -5.720 199 HB3 TYR 26 HB3 TYR 26 1.006 5.124 -5.897 200 HD1 TYR 26 HD2 TYR 26 1.942 5.593 -8.175 201 HD2 TYR 26 HD1 TYR 26 -1.695 3.379 -7.597 202 HE1 TYR 26 HE2 TYR 26 1.341 5.968 -10.550 203 HE2 TYR 26 HE1 TYR 26 -2.295 3.747 -9.976 204 HH TYR 26 HH TYR 26 -0.662 4.281 -12.224 205 H ARG 27 H ARG 27 -0.367 1.473 -5.445 206 HA ARG 27 HA ARG 27 -0.728 0.166 -8.015 207 HB2 ARG 27 HB2 ARG 27 1.195 -1.051 -6.999 208 HB3 ARG 27 HB3 ARG 27 0.183 -1.449 -5.615 209 HG2 ARG 27 HG2 ARG 27 -0.998 -2.140 -8.270 210 HG3 ARG 27 HG3 ARG 27 0.442 -3.054 -7.838 211 HD2 ARG 27 HD2 ARG 27 -0.567 -3.842 -5.803 212 HD3 ARG 27 HD3 ARG 27 -1.933 -2.748 -5.983 213 HE ARG 27 HE ARG 27 -2.023 -4.260 -8.254 214 HH11 ARG 27 HH21 ARG 27 -1.833 -4.926 -4.865 215 HH12 ARG 27 HH22 ARG 27 -2.700 -6.422 -4.968 216 HH21 ARG 27 HH11 ARG 27 -3.159 -6.220 -8.400 217 HH22 ARG 27 HH12 ARG 27 -3.451 -7.155 -6.972 218 H ARG 28 H ARG 28 -2.749 -0.749 -8.211 219 HA ARG 28 HA ARG 28 -4.620 -0.181 -6.027 220 HB2 ARG 28 HB2 ARG 28 -4.800 0.234 -8.716 221 HB3 ARG 28 HB3 ARG 28 -5.634 -1.311 -8.591 222 HG2 ARG 28 HG2 ARG 28 -6.977 -0.239 -6.672 223 HG3 ARG 28 HG3 ARG 28 -6.317 1.301 -7.225 224 HD2 ARG 28 HD2 ARG 28 -8.058 -0.627 -8.774 225 HD3 ARG 28 HD3 ARG 28 -8.425 1.038 -8.330 226 HE ARG 28 HE ARG 28 -6.914 0.183 -10.610 227 HH11 ARG 28 HH21 ARG 28 -7.241 2.639 -8.194 228 HH12 ARG 28 HH22 ARG 28 -6.551 3.889 -9.176 229 HH21 ARG 28 HH11 ARG 28 -6.008 1.817 -11.901 230 HH22 ARG 28 HH12 ARG 28 -5.853 3.424 -11.274 231 H ILE 29 H ILE 29 -6.025 -1.685 -5.135 232 HA ILE 29 HA ILE 29 -5.202 -4.518 -5.433 233 HB ILE 29 HB ILE 29 -6.768 -4.254 -3.072 234 HG12 ILE 29 HG12 ILE 29 -4.671 -2.069 -3.228 235 HG13 ILE 29 HG13 ILE 29 -6.407 -1.796 -3.309 236 HG21 ILE 29 HG21 ILE 29 -3.766 -4.424 -3.453 237 HG22 ILE 29 HG22 ILE 29 -4.886 -5.777 -3.317 238 HG23 ILE 29 HG23 ILE 29 -4.605 -4.726 -1.931 239 HD11 ILE 29 HD11 ILE 29 -6.745 -2.420 -1.073 240 HD12 ILE 29 HD12 ILE 29 -5.223 -1.532 -1.004 241 HD13 ILE 29 HD13 ILE 29 -5.218 -3.295 -0.978 242 H THR 30 H THR 30 -6.560 -5.011 -7.165 243 HA THR 30 HA THR 30 -9.464 -4.647 -6.787 244 HB THR 30 HB THR 30 -9.664 -5.180 -9.135 245 HG1 THR 30 HG1 THR 30 -6.908 -5.398 -9.443 246 HG21 THR 30 HG21 THR 30 -8.586 -3.279 -10.037 247 HG22 THR 30 HG22 THR 30 -7.219 -3.424 -8.933 248 HG23 THR 30 HG23 THR 30 -8.787 -2.882 -8.330 249 H SER 31 H SER 31 -9.793 -6.943 -8.733 250 HA SER 31 HA SER 31 -10.295 -9.182 -8.643 251 HB2 SER 31 HB2 SER 31 -8.229 -9.461 -6.466 252 HB3 SER 31 HB3 SER 31 -8.721 -10.648 -7.671 253 HG SER 31 HG SER 31 -7.093 -8.376 -7.924 254 H GLY 32 H GLY 32 -9.365 -8.565 -5.253 255 HA2 GLY 32 HA2 GLY 32 -11.927 -8.273 -4.180 256 HA3 GLY 32 HA3 GLY 32 -11.559 -9.995 -4.174 257 H LYS 33 H LYS 33 -8.609 -9.118 -3.909 258 HA LYS 33 HA LYS 33 -8.423 -9.465 -1.100 259 HB2 LYS 33 HB2 LYS 33 -5.988 -8.802 -1.505 260 HB3 LYS 33 HB3 LYS 33 -6.579 -10.203 -2.400 261 HG2 LYS 33 HG2 LYS 33 -6.882 -8.896 -4.400 262 HG3 LYS 33 HG3 LYS 33 -6.574 -7.393 -3.530 263 HD2 LYS 33 HD2 LYS 33 -4.266 -8.034 -3.130 264 HD3 LYS 33 HD3 LYS 33 -4.550 -9.630 -3.822 265 HE2 LYS 33 HE2 LYS 33 -4.782 -7.002 -5.317 266 HE3 LYS 33 HE3 LYS 33 -3.446 -8.145 -5.455 267 HZ1 LYS 33 HZ1 LYS 33 -5.586 -9.715 -5.875 268 HZ2 LYS 33 HZ2 LYS 33 -4.657 -9.003 -7.107 269 HZ3 LYS 33 HZ3 LYS 33 -6.096 -8.263 -6.588 270 H CYS 34 H CYS 34 -7.916 -8.032 0.532 271 HA CYS 34 HA CYS 34 -7.996 -6.073 1.697 272 HB2 CYS 34 HB2 CYS 34 -6.847 -5.041 -0.898 273 HB3 CYS 34 HB3 CYS 34 -6.955 -4.080 0.570 274 HA PRO 35 HA PRO 35 -11.915 -4.277 0.601 275 HB2 PRO 35 HB2 PRO 35 -12.085 -2.207 2.327 276 HB3 PRO 35 HB3 PRO 35 -12.097 -3.890 2.891 277 HG2 PRO 35 HG2 PRO 35 -9.819 -1.950 2.804 278 HG3 PRO 35 HG3 PRO 35 -10.324 -3.027 4.122 279 HD2 PRO 35 HD2 PRO 35 -8.283 -3.660 2.416 280 HD3 PRO 35 HD3 PRO 35 -9.324 -4.891 3.164 281 H GLN 36 H GLN 36 -12.735 -2.922 -0.858 282 HA GLN 36 HA GLN 36 -12.904 -1.263 -2.424 283 HB2 GLN 36 HB2 GLN 36 -10.981 0.322 -0.727 284 HB3 GLN 36 HB3 GLN 36 -12.229 0.918 -1.811 285 HG2 GLN 36 HG2 GLN 36 -12.737 -0.651 0.721 286 HG3 GLN 36 HG3 GLN 36 -12.917 1.091 0.552 287 HE21 GLN 36 HE21 GLN 36 -14.764 -1.628 0.645 288 HE22 GLN 36 HE22 GLN 36 -16.032 -1.160 -0.380 289 H LYS 37 H LYS 37 -11.889 -0.407 -4.233 290 HA LYS 37 HA LYS 37 -9.336 -1.611 -4.925 291 HB2 LYS 37 HB2 LYS 37 -11.143 0.286 -6.459 292 HB3 LYS 37 HB3 LYS 37 -9.724 -0.527 -7.121 293 HG2 LYS 37 HG2 LYS 37 -10.726 -2.666 -6.953 294 HG3 LYS 37 HG3 LYS 37 -11.972 -2.091 -5.846 295 HD2 LYS 37 HD2 LYS 37 -12.817 -2.455 -8.177 296 HD3 LYS 37 HD3 LYS 37 -13.022 -0.796 -7.615 297 HE2 LYS 37 HE2 LYS 37 -10.576 -1.629 -9.179 298 HE3 LYS 37 HE3 LYS 37 -12.060 -1.132 -9.990 299 HZ1 LYS 37 HZ1 LYS 37 -10.119 0.457 -8.592 300 HZ2 LYS 37 HZ2 LYS 37 -11.715 0.784 -8.110 301 HZ3 LYS 37 HZ3 LYS 37 -11.273 0.923 -9.745 302 H ALA 38 H ALA 38 -8.450 -0.364 -3.000 303 HA ALA 38 HA ALA 38 -7.945 2.470 -3.477 304 HB1 ALA 38 HB1 ALA 38 -7.547 0.566 -1.191 305 HB2 ALA 38 HB2 ALA 38 -8.475 2.064 -1.237 306 HB3 ALA 38 HB3 ALA 38 -6.712 2.117 -1.199 307 H VAL 39 H VAL 39 -5.825 3.379 -3.518 308 HA VAL 39 HA VAL 39 -3.921 1.747 -4.967 309 HB VAL 39 HB VAL 39 -2.677 3.770 -5.282 310 HG11 VAL 39 HG11 VAL 39 -4.286 5.060 -6.445 311 HG12 VAL 39 HG12 VAL 39 -5.566 4.648 -5.304 312 HG13 VAL 39 HG13 VAL 39 -4.962 3.432 -6.430 313 HG21 VAL 39 HG21 VAL 39 -2.681 4.708 -3.068 314 HG22 VAL 39 HG22 VAL 39 -4.438 4.855 -3.072 315 HG23 VAL 39 HG23 VAL 39 -3.464 5.886 -4.120 316 H ILE 40 H ILE 40 -1.770 1.314 -4.310 317 HA ILE 40 HA ILE 40 -1.350 1.375 -1.370 318 HB ILE 40 HB ILE 40 -0.657 -0.758 -3.398 319 HG12 ILE 40 HG12 ILE 40 -2.307 -0.893 -0.860 320 HG13 ILE 40 HG13 ILE 40 -2.999 -0.638 -2.462 321 HG21 ILE 40 HG21 ILE 40 0.225 -1.975 -1.329 322 HG22 ILE 40 HG22 ILE 40 0.209 -0.412 -0.518 323 HG23 ILE 40 HG23 ILE 40 1.230 -0.660 -1.932 324 HD11 ILE 40 HD11 ILE 40 -3.010 -3.039 -1.727 325 HD12 ILE 40 HD12 ILE 40 -1.249 -3.002 -1.739 326 HD13 ILE 40 HD13 ILE 40 -2.146 -2.762 -3.238 327 H PHE 41 H PHE 41 0.082 3.035 -1.098 328 HA PHE 41 HA PHE 41 2.270 3.456 -2.952 329 HB2 PHE 41 HB2 PHE 41 1.827 4.678 -0.214 330 HB3 PHE 41 HB3 PHE 41 2.948 5.244 -1.450 331 HD1 PHE 41 HD2 PHE 41 1.872 5.736 -3.819 332 HD2 PHE 41 HD1 PHE 41 -0.314 5.606 -0.130 333 HE1 PHE 41 HE2 PHE 41 0.077 7.110 -4.840 334 HE2 PHE 41 HE1 PHE 41 -2.095 6.980 -1.139 335 HZ PHE 41 HZ PHE 41 -1.908 7.732 -3.498 336 H LYS 42 H LYS 42 4.066 2.265 -2.923 337 HA LYS 42 HA LYS 42 4.792 0.805 -0.458 338 HB2 LYS 42 HB2 LYS 42 6.371 -0.387 -2.111 339 HB3 LYS 42 HB3 LYS 42 4.641 -0.700 -2.259 340 HG2 LYS 42 HG2 LYS 42 4.428 0.746 -4.134 341 HG3 LYS 42 HG3 LYS 42 6.010 1.473 -3.849 342 HD2 LYS 42 HD2 LYS 42 6.037 -0.166 -5.731 343 HD3 LYS 42 HD3 LYS 42 7.118 -0.630 -4.416 344 HE2 LYS 42 HE2 LYS 42 5.581 -2.464 -5.389 345 HE3 LYS 42 HE3 LYS 42 5.638 -2.303 -3.634 346 HZ1 LYS 42 HZ1 LYS 42 3.379 -2.339 -5.024 347 HZ2 LYS 42 HZ2 LYS 42 3.670 -0.665 -5.008 348 HZ3 LYS 42 HZ3 LYS 42 3.543 -1.523 -3.546 349 H THR 43 H THR 43 6.829 0.947 0.430 350 HA THR 43 HA THR 43 8.767 2.833 -0.711 351 HB THR 43 HB THR 43 8.228 4.502 0.737 352 HG1 THR 43 HG1 THR 43 9.836 3.646 2.019 353 HG21 THR 43 HG21 THR 43 6.492 4.151 2.540 354 HG22 THR 43 HG22 THR 43 6.401 2.464 2.035 355 HG23 THR 43 HG23 THR 43 5.948 3.746 0.911 356 H LYS 44 H LYS 44 10.716 2.901 0.959 357 HA LYS 44 HA LYS 44 11.621 0.166 1.149 358 HB2 LYS 44 HB2 LYS 44 12.978 2.320 0.529 359 HB3 LYS 44 HB3 LYS 44 13.123 2.524 2.274 360 HG2 LYS 44 HG2 LYS 44 13.939 0.082 2.323 361 HG3 LYS 44 HG3 LYS 44 14.108 0.225 0.574 362 HD2 LYS 44 HD2 LYS 44 15.468 1.953 2.661 363 HD3 LYS 44 HD3 LYS 44 16.243 0.759 1.620 364 HE2 LYS 44 HE2 LYS 44 15.033 3.412 0.851 365 HE3 LYS 44 HE3 LYS 44 16.657 2.810 0.524 366 HZ1 LYS 44 HZ1 LYS 44 15.205 0.951 -0.684 367 HZ2 LYS 44 HZ2 LYS 44 15.750 2.356 -1.470 368 HZ3 LYS 44 HZ3 LYS 44 14.162 2.276 -0.869 369 H LEU 45 H LEU 45 9.528 1.697 3.009 370 HA LEU 45 HA LEU 45 10.463 1.691 5.616 371 HB2 LEU 45 HB2 LEU 45 7.832 1.563 4.298 372 HB3 LEU 45 HB3 LEU 45 7.828 0.765 5.862 373 HG LEU 45 HG LEU 45 7.181 3.088 6.136 374 HD11 LEU 45 HD11 LEU 45 8.402 3.451 8.026 375 HD12 LEU 45 HD12 LEU 45 9.950 3.287 7.207 376 HD13 LEU 45 HD13 LEU 45 9.044 1.849 7.679 377 HD21 LEU 45 HD21 LEU 45 9.055 4.844 5.644 378 HD22 LEU 45 HD22 LEU 45 8.061 4.259 4.313 379 HD23 LEU 45 HD23 LEU 45 9.687 3.619 4.546 380 H ALA 46 H ALA 46 8.165 -0.860 4.846 381 HA ALA 46 HA ALA 46 9.877 -3.079 4.988 382 HB1 ALA 46 HB1 ALA 46 8.837 -2.072 7.632 383 HB2 ALA 46 HB2 ALA 46 10.476 -2.573 7.216 384 HB3 ALA 46 HB3 ALA 46 9.202 -3.780 7.384 385 H LYS 47 H LYS 47 6.903 -1.607 4.763 386 HA LYS 47 HA LYS 47 5.603 -4.110 4.087 387 HB2 LYS 47 HB2 LYS 47 3.598 -3.200 5.678 388 HB3 LYS 47 HB3 LYS 47 4.804 -4.360 6.226 389 HG2 LYS 47 HG2 LYS 47 4.553 -2.543 7.854 390 HG3 LYS 47 HG3 LYS 47 6.166 -2.516 7.153 391 HD2 LYS 47 HD2 LYS 47 5.416 -0.742 5.569 392 HD3 LYS 47 HD3 LYS 47 3.834 -0.751 6.346 393 HE2 LYS 47 HE2 LYS 47 5.389 1.050 7.185 394 HE3 LYS 47 HE3 LYS 47 4.787 -0.028 8.444 395 HZ1 LYS 47 HZ1 LYS 47 7.308 0.515 8.277 396 HZ2 LYS 47 HZ2 LYS 47 7.300 -0.686 7.077 397 HZ3 LYS 47 HZ3 LYS 47 6.802 -1.058 8.659 398 H ASP 48 H ASP 48 3.257 -3.648 3.406 399 HA ASP 48 HA ASP 48 3.333 -1.409 1.538 400 HB2 ASP 48 HB2 ASP 48 1.135 -2.444 0.780 401 HB3 ASP 48 HB3 ASP 48 2.567 -3.455 0.600 402 H ILE 49 H ILE 49 1.737 0.201 1.404 403 HA ILE 49 HA ILE 49 0.199 0.687 3.903 404 HB ILE 49 HB ILE 49 1.124 2.815 1.974 405 HG12 ILE 49 HG12 ILE 49 3.129 1.585 2.739 406 HG13 ILE 49 HG13 ILE 49 3.066 3.197 3.429 407 HG21 ILE 49 HG21 ILE 49 0.910 4.219 4.033 408 HG22 ILE 49 HG22 ILE 49 0.284 2.808 4.885 409 HG23 ILE 49 HG23 ILE 49 -0.610 3.485 3.523 410 HD11 ILE 49 HD11 ILE 49 3.696 1.649 5.181 411 HD12 ILE 49 HD12 ILE 49 2.327 0.605 4.817 412 HD13 ILE 49 HD13 ILE 49 2.058 2.199 5.514 413 H CYS 50 H CYS 50 -1.962 1.003 3.711 414 HA CYS 50 HA CYS 50 -3.135 0.914 0.994 415 HB2 CYS 50 HB2 CYS 50 -4.471 0.507 3.682 416 HB3 CYS 50 HB3 CYS 50 -5.170 0.194 2.093 417 H ALA 51 H ALA 51 -4.569 2.478 0.273 418 HA ALA 51 HA ALA 51 -5.539 4.575 1.984 419 HB1 ALA 51 HB1 ALA 51 -2.979 4.996 1.277 420 HB2 ALA 51 HB2 ALA 51 -4.131 6.316 1.461 421 HB3 ALA 51 HB3 ALA 51 -3.761 5.683 -0.144 422 H ASP 52 H ASP 52 -7.404 5.295 1.180 423 HA ASP 52 HA ASP 52 -8.297 4.404 -1.414 424 HB2 ASP 52 HB2 ASP 52 -9.641 4.522 0.776 425 HB3 ASP 52 HB3 ASP 52 -9.787 6.246 0.450 426 HA PRO 53 HA PRO 53 -7.238 8.218 -3.558 427 HB2 PRO 53 HB2 PRO 53 -8.976 8.075 -5.687 428 HB3 PRO 53 HB3 PRO 53 -7.484 7.123 -5.570 429 HG2 PRO 53 HG2 PRO 53 -10.291 6.312 -4.945 430 HG3 PRO 53 HG3 PRO 53 -9.026 5.417 -5.808 431 HD2 PRO 53 HD2 PRO 53 -9.610 4.895 -3.226 432 HD3 PRO 53 HD3 PRO 53 -7.949 4.769 -3.843 433 H LYS 54 H LYS 54 -8.396 9.049 -1.458 434 HA LYS 54 HA LYS 54 -10.485 10.938 -2.340 435 HB2 LYS 54 HB2 LYS 54 -10.573 9.358 0.248 436 HB3 LYS 54 HB3 LYS 54 -11.705 10.620 -0.223 437 HG2 LYS 54 HG2 LYS 54 -11.256 8.100 -1.850 438 HG3 LYS 54 HG3 LYS 54 -12.509 8.246 -0.624 439 HD2 LYS 54 HD2 LYS 54 -13.263 10.363 -1.917 440 HD3 LYS 54 HD3 LYS 54 -12.260 9.751 -3.232 441 HE2 LYS 54 HE2 LYS 54 -13.517 7.653 -3.259 442 HE3 LYS 54 HE3 LYS 54 -14.488 8.195 -1.890 443 HZ1 LYS 54 HZ1 LYS 54 -15.855 8.912 -3.500 444 HZ2 LYS 54 HZ2 LYS 54 -14.636 8.953 -4.683 445 HZ3 LYS 54 HZ3 LYS 54 -14.796 10.234 -3.579 446 H LYS 55 H LYS 55 -8.458 10.005 0.435 447 HA LYS 55 HA LYS 55 -8.234 12.559 1.563 448 HB2 LYS 55 HB2 LYS 55 -5.777 11.065 1.985 449 HB3 LYS 55 HB3 LYS 55 -7.071 11.397 3.131 450 HG2 LYS 55 HG2 LYS 55 -8.361 9.484 2.218 451 HG3 LYS 55 HG3 LYS 55 -7.044 9.140 1.105 452 HD2 LYS 55 HD2 LYS 55 -6.548 7.670 2.847 453 HD3 LYS 55 HD3 LYS 55 -5.578 9.067 3.297 454 HE2 LYS 55 HE2 LYS 55 -6.859 8.175 5.222 455 HE3 LYS 55 HE3 LYS 55 -7.341 9.824 4.832 456 HZ1 LYS 55 HZ1 LYS 55 -9.378 9.167 4.253 457 HZ2 LYS 55 HZ2 LYS 55 -9.024 7.732 5.092 458 HZ3 LYS 55 HZ3 LYS 55 -8.819 7.809 3.406 459 H LYS 56 H LYS 56 -6.604 14.147 1.417 460 HA LYS 56 HA LYS 56 -5.852 14.849 -1.169 461 HB2 LYS 56 HB2 LYS 56 -6.068 16.337 0.880 462 HB3 LYS 56 HB3 LYS 56 -4.438 15.820 1.309 463 HG2 LYS 56 HG2 LYS 56 -3.760 16.531 -1.065 464 HG3 LYS 56 HG3 LYS 56 -5.322 17.345 -1.146 465 HD2 LYS 56 HD2 LYS 56 -3.245 17.821 1.011 466 HD3 LYS 56 HD3 LYS 56 -3.491 18.863 -0.390 467 HE2 LYS 56 HE2 LYS 56 -5.945 19.021 0.373 468 HE3 LYS 56 HE3 LYS 56 -5.389 18.335 1.899 469 HZ1 LYS 56 HZ1 LYS 56 -4.450 20.249 2.487 470 HZ2 LYS 56 HZ2 LYS 56 -5.345 20.966 1.233 471 HZ3 LYS 56 HZ3 LYS 56 -3.738 20.484 0.965 472 H TRP 57 H TRP 57 -3.599 13.731 1.417 473 HA TRP 57 HA TRP 57 -1.322 13.760 -0.181 474 HB2 TRP 57 HB2 TRP 57 -0.241 12.457 1.466 475 HB3 TRP 57 HB3 TRP 57 -1.428 13.424 2.330 476 HD1 TRP 57 HD1 TRP 57 -3.589 12.185 3.271 477 HE1 TRP 57 HE1 TRP 57 -4.029 9.710 3.828 478 HE3 TRP 57 HE3 TRP 57 0.287 9.998 0.749 479 HZ2 TRP 57 HZ2 TRP 57 -2.900 7.143 3.276 480 HZ3 TRP 57 HZ3 TRP 57 0.579 7.541 0.784 481 HH2 TRP 57 HH2 TRP 57 -1.010 6.109 2.045 482 H VAL 58 H VAL 58 -3.949 11.512 -0.257 483 HA VAL 58 HA VAL 58 -2.466 9.366 -1.466 484 HB VAL 58 HB VAL 58 -5.437 9.945 -1.354 485 HG11 VAL 58 HG11 VAL 58 -3.931 7.523 -2.376 486 HG12 VAL 58 HG12 VAL 58 -5.006 8.555 -3.301 487 HG13 VAL 58 HG13 VAL 58 -5.650 7.530 -2.020 488 HG21 VAL 58 HG21 VAL 58 -4.627 9.438 0.826 489 HG22 VAL 58 HG22 VAL 58 -3.539 8.197 0.223 490 HG23 VAL 58 HG23 VAL 58 -5.279 7.920 0.221 491 H GLN 59 H GLN 59 -4.806 11.748 -2.759 492 HA GLN 59 HA GLN 59 -4.330 11.008 -5.464 493 HB2 GLN 59 HB2 GLN 59 -5.305 13.763 -4.796 494 HB3 GLN 59 HB3 GLN 59 -5.869 12.639 -6.033 495 HG2 GLN 59 HG2 GLN 59 -6.583 11.188 -3.912 496 HG3 GLN 59 HG3 GLN 59 -6.555 12.752 -3.112 497 HE21 GLN 59 HE21 GLN 59 -8.312 14.165 -3.486 498 HE22 GLN 59 HE22 GLN 59 -9.571 13.830 -4.573 499 H ASP 60 H ASP 60 -2.884 13.347 -3.291 500 HA ASP 60 HA ASP 60 -1.416 14.758 -5.309 501 HB2 ASP 60 HB2 ASP 60 -2.075 15.574 -2.960 502 HB3 ASP 60 HB3 ASP 60 -0.696 14.642 -2.384 503 H SER 61 H SER 61 -0.783 11.956 -3.282 504 HA SER 61 HA SER 61 2.026 11.871 -3.591 505 HB2 SER 61 HB2 SER 61 1.677 9.385 -3.073 506 HB3 SER 61 HB3 SER 61 1.106 10.538 -1.872 507 HG SER 61 HG SER 61 -0.974 10.362 -2.934 508 H MET 62 H MET 62 -0.540 10.122 -5.388 509 HA MET 62 HA MET 62 1.306 8.941 -7.219 510 HB2 MET 62 HB2 MET 62 -0.786 8.462 -8.567 511 HB3 MET 62 HB3 MET 62 -0.784 7.830 -6.920 512 HG2 MET 62 HG2 MET 62 -2.180 9.609 -6.145 513 HG3 MET 62 HG3 MET 62 -1.983 10.506 -7.641 514 HE1 MET 62 HE1 MET 62 -3.273 7.137 -6.091 515 HE2 MET 62 HE2 MET 62 -4.953 7.294 -6.600 516 HE3 MET 62 HE3 MET 62 -4.214 8.563 -5.629 517 H LYS 63 H LYS 63 -0.552 11.922 -7.189 518 HA LYS 63 HA LYS 63 -0.267 12.607 -9.914 519 HB2 LYS 63 HB2 LYS 63 -1.842 13.795 -8.497 520 HB3 LYS 63 HB3 LYS 63 -0.540 14.346 -7.447 521 HG2 LYS 63 HG2 LYS 63 -1.302 16.101 -9.051 522 HG3 LYS 63 HG3 LYS 63 0.403 15.701 -9.243 523 HD2 LYS 63 HD2 LYS 63 0.027 14.498 -11.235 524 HD3 LYS 63 HD3 LYS 63 -1.690 14.286 -10.896 525 HE2 LYS 63 HE2 LYS 63 -0.336 16.919 -11.560 526 HE3 LYS 63 HE3 LYS 63 -1.338 15.974 -12.662 527 HZ1 LYS 63 HZ1 LYS 63 -2.115 17.678 -10.463 528 HZ2 LYS 63 HZ2 LYS 63 -2.929 16.188 -10.516 529 HZ3 LYS 63 HZ3 LYS 63 -2.981 17.236 -11.852 530 H TYR 64 H TYR 64 1.829 12.869 -7.141 531 HA TYR 64 HA TYR 64 3.769 14.579 -8.388 532 HB2 TYR 64 HB2 TYR 64 4.142 14.796 -6.145 533 HB3 TYR 64 HB3 TYR 64 3.347 13.268 -5.794 534 HD1 TYR 64 HD1 TYR 64 6.462 14.311 -7.632 535 HD2 TYR 64 HD2 TYR 64 4.714 11.768 -4.640 536 HE1 TYR 64 HE1 TYR 64 8.675 13.271 -7.219 537 HE2 TYR 64 HE2 TYR 64 6.927 10.738 -4.224 538 HH TYR 64 HH TYR 64 9.830 12.062 -5.424 539 H LEU 65 H LEU 65 3.223 11.129 -8.115 540 HA LEU 65 HA LEU 65 5.797 10.352 -9.116 541 HB2 LEU 65 HB2 LEU 65 3.187 8.934 -8.617 542 HB3 LEU 65 HB3 LEU 65 4.476 8.120 -9.501 543 HG LEU 65 HG LEU 65 5.147 9.471 -6.892 544 HD11 LEU 65 HD11 LEU 65 3.337 8.233 -6.074 545 HD12 LEU 65 HD12 LEU 65 4.685 7.118 -5.858 546 HD13 LEU 65 HD13 LEU 65 3.589 6.919 -7.223 547 HD21 LEU 65 HD21 LEU 65 6.766 8.292 -8.609 548 HD22 LEU 65 HD22 LEU 65 6.152 6.807 -7.888 549 HD23 LEU 65 HD23 LEU 65 6.974 8.002 -6.884 550 H ASP 66 H ASP 66 2.886 11.481 -10.501 551 HA ASP 66 HA ASP 66 3.035 10.248 -13.047 552 HB2 ASP 66 HB2 ASP 66 1.096 11.556 -11.949 553 HB3 ASP 66 HB3 ASP 66 1.902 12.998 -12.560 554 H GLN 67 H GLN 67 4.463 13.178 -11.697 555 HA GLN 67 HA GLN 67 5.397 14.341 -14.077 556 HB2 GLN 67 HB2 GLN 67 6.781 14.433 -11.389 557 HB3 GLN 67 HB3 GLN 67 6.884 15.624 -12.687 558 HG2 GLN 67 HG2 GLN 67 4.456 16.072 -12.449 559 HG3 GLN 67 HG3 GLN 67 4.387 14.919 -11.117 560 HE21 GLN 67 HE21 GLN 67 5.097 15.628 -9.046 561 HE22 GLN 67 HE22 GLN 67 5.684 17.193 -8.751 562 H LYS 68 H LYS 68 7.120 12.221 -11.778 563 HA LYS 68 HA LYS 68 9.348 11.895 -13.595 564 HB2 LYS 68 HB2 LYS 68 10.190 10.316 -11.867 565 HB3 LYS 68 HB3 LYS 68 9.796 11.905 -11.214 566 HG2 LYS 68 HG2 LYS 68 7.530 10.982 -10.570 567 HG3 LYS 68 HG3 LYS 68 8.115 9.388 -11.035 568 HD2 LYS 68 HD2 LYS 68 9.640 11.086 -9.054 569 HD3 LYS 68 HD3 LYS 68 8.300 10.067 -8.537 570 HE2 LYS 68 HE2 LYS 68 9.444 8.107 -9.605 571 HE3 LYS 68 HE3 LYS 68 10.823 9.151 -9.950 572 HZ1 LYS 68 HZ1 LYS 68 11.126 7.918 -7.893 573 HZ2 LYS 68 HZ2 LYS 68 9.707 8.600 -7.254 574 HZ3 LYS 68 HZ3 LYS 68 11.049 9.586 -7.592 575 H SER 69 H SER 69 10.097 9.395 -13.669 576 HA SER 69 HA SER 69 7.841 7.893 -14.894 577 HB2 SER 69 HB2 SER 69 10.769 7.941 -15.651 578 HB3 SER 69 HB3 SER 69 9.557 6.885 -16.370 579 HG SER 69 HG SER 69 8.601 8.593 -17.295 580 HA PRO 70 HA PRO 70 9.243 5.457 -11.180 581 HB2 PRO 70 HB2 PRO 70 6.585 4.226 -11.833 582 HB3 PRO 70 HB3 PRO 70 7.256 4.689 -10.254 583 HG2 PRO 70 HG2 PRO 70 5.395 6.176 -11.421 584 HG3 PRO 70 HG3 PRO 70 6.744 6.930 -10.549 585 HD2 PRO 70 HD2 PRO 70 6.323 6.677 -13.510 586 HD3 PRO 70 HD3 PRO 70 7.052 8.009 -12.587 587 H THR 71 H THR 71 8.760 4.849 -14.445 588 HA THR 71 HA THR 71 9.386 3.155 -15.863 589 HB THR 71 HB THR 71 11.324 1.951 -15.314 590 HG1 THR 71 HG1 THR 71 11.071 2.332 -12.569 591 HG21 THR 71 HG21 THR 71 12.778 3.559 -14.361 592 HG22 THR 71 HG22 THR 71 11.510 4.211 -13.324 593 HG23 THR 71 HG23 THR 71 11.469 4.513 -15.061 594 HA PRO 72 HA PRO 72 6.435 0.256 -13.638 595 HB2 PRO 72 HB2 PRO 72 4.174 0.791 -15.055 596 HB3 PRO 72 HB3 PRO 72 4.665 1.765 -13.654 597 HG2 PRO 72 HG2 PRO 72 5.016 2.339 -16.568 598 HG3 PRO 72 HG3 PRO 72 4.512 3.427 -15.261 599 HD2 PRO 72 HD2 PRO 72 7.080 3.359 -16.239 600 HD3 PRO 72 HD3 PRO 72 6.693 3.819 -14.566 601 H LYS 73 H LYS 73 4.854 -1.361 -14.906 602 HA LYS 73 HA LYS 73 6.498 -2.819 -16.702 603 HB2 LYS 73 HB2 LYS 73 4.278 -4.145 -17.021 604 HB3 LYS 73 HB3 LYS 73 5.034 -4.139 -15.428 605 HG2 LYS 73 HG2 LYS 73 3.506 -2.525 -14.587 606 HG3 LYS 73 HG3 LYS 73 2.946 -2.098 -16.205 607 HD2 LYS 73 HD2 LYS 73 1.272 -3.507 -15.125 608 HD3 LYS 73 HD3 LYS 73 2.016 -4.403 -16.450 609 HE2 LYS 73 HE2 LYS 73 3.345 -5.701 -14.968 610 HE3 LYS 73 HE3 LYS 73 3.042 -4.611 -13.615 611 HZ1 LYS 73 HZ1 LYS 73 0.798 -5.988 -14.933 612 HZ2 LYS 73 HZ2 LYS 73 0.908 -5.390 -13.346 613 HZ3 LYS 73 HZ3 LYS 73 1.735 -6.810 -13.781 614 HA PRO 74 HA PRO 74 5.798 -1.246 -20.780 615 HB2 PRO 74 HB2 PRO 74 4.429 -3.884 -21.272 616 HB3 PRO 74 HB3 PRO 74 5.587 -3.013 -22.301 617 HG2 PRO 74 HG2 PRO 74 6.353 -5.067 -20.764 618 HG3 PRO 74 HG3 PRO 74 7.405 -3.667 -21.043 619 HD2 PRO 74 HD2 PRO 74 5.998 -4.461 -18.557 620 HD3 PRO 74 HD3 PRO 74 7.384 -3.368 -18.765 621 H1 VAL 208 H1 VAL 208 -14.202 9.661 13.022 622 H2 VAL 208 H2 VAL 208 -13.970 7.979 12.959 623 H3 VAL 208 H3 VAL 208 -12.801 9.027 12.307 624 HA VAL 208 HA VAL 208 -13.267 9.694 15.011 625 HB VAL 208 HB VAL 208 -12.457 7.627 16.045 626 HG11 VAL 208 HG11 VAL 208 -14.472 6.320 15.834 627 HG12 VAL 208 HG12 VAL 208 -14.797 6.981 14.232 628 HG13 VAL 208 HG13 VAL 208 -14.930 8.014 15.655 629 HG21 VAL 208 HG21 VAL 208 -11.126 6.683 14.283 630 HG22 VAL 208 HG22 VAL 208 -12.506 6.624 13.187 631 HG23 VAL 208 HG23 VAL 208 -12.438 5.542 14.579 632 H GLU 209 H GLU 209 -11.170 9.899 16.079 633 HA GLU 209 HA GLU 209 -8.972 10.550 16.109 634 HB2 GLU 209 HB2 GLU 209 -8.814 8.083 15.335 635 HB3 GLU 209 HB3 GLU 209 -8.500 8.751 13.735 636 HG2 GLU 209 HG2 GLU 209 -6.345 8.471 14.674 637 HG3 GLU 209 HG3 GLU 209 -6.688 10.186 14.896 638 H THR 210 H THR 210 -7.604 10.238 13.236 639 HA THR 210 HA THR 210 -8.804 12.404 11.760 640 HB THR 210 HB THR 210 -6.093 12.886 13.014 641 HG1 THR 210 HG1 THR 210 -7.638 13.107 14.585 642 HG21 THR 210 HG21 THR 210 -7.936 14.594 11.319 643 HG22 THR 210 HG22 THR 210 -6.365 13.951 10.839 644 HG23 THR 210 HG23 THR 210 -6.467 15.178 12.102 645 H PHE 211 H PHE 211 -8.762 10.805 10.122 646 HA PHE 211 HA PHE 211 -6.310 9.570 9.284 647 HB2 PHE 211 HB2 PHE 211 -9.083 9.757 8.112 648 HB3 PHE 211 HB3 PHE 211 -7.759 9.022 7.210 649 HD1 PHE 211 HD1 PHE 211 -9.160 8.947 10.701 650 HD2 PHE 211 HD2 PHE 211 -7.518 6.700 7.422 651 HE1 PHE 211 HE1 PHE 211 -9.465 6.848 11.983 652 HE2 PHE 211 HE2 PHE 211 -7.825 4.605 8.709 653 HZ PHE 211 HZ PHE 211 -8.798 4.678 10.988 654 H GLY 212 H GLY 212 -5.259 11.835 9.308 655 HA2 GLY 212 HA2 GLY 212 -4.319 12.552 6.867 656 HA3 GLY 212 HA3 GLY 212 -5.787 13.511 7.009 657 H THR 213 H THR 213 -2.514 13.482 7.597 658 HA THR 213 HA THR 213 -2.573 16.009 8.938 659 HB THR 213 HB THR 213 -1.510 13.658 10.523 660 HG1 THR 213 HG1 THR 213 -3.493 13.518 11.148 661 HG21 THR 213 HG21 THR 213 -1.456 15.501 12.315 662 HG22 THR 213 HG22 THR 213 -1.614 16.640 10.980 663 HG23 THR 213 HG23 THR 213 -0.217 15.569 11.065 664 H THR 214 H THR 214 -0.368 16.834 9.345 665 HA THR 214 HA THR 214 1.361 16.237 7.160 666 HB THR 214 HB THR 214 2.885 17.866 8.223 667 HG1 THR 214 HG1 THR 214 2.046 17.068 10.400 668 HG21 THR 214 HG21 THR 214 -0.017 18.730 8.346 669 HG22 THR 214 HG22 THR 214 0.930 18.612 6.863 670 HG23 THR 214 HG23 THR 214 1.380 19.779 8.107 671 H SER 215 H SER 215 3.591 15.544 7.309 672 HA SER 215 HA SER 215 5.167 13.963 7.858 673 HB2 SER 215 HB2 SER 215 5.726 15.378 9.688 674 HB3 SER 215 HB3 SER 215 4.281 14.914 10.583 675 HG SER 215 HG SER 215 5.914 13.712 11.424 676 H TYS 216 H TYS 216 5.521 11.826 8.957 677 HA TYS 216 HA TYS 216 3.189 10.417 9.914 678 HB2 TYS 216 HB2 TYS 216 2.708 10.289 7.551 679 HB3 TYS 216 HB1 TYS 216 4.355 9.773 7.199 680 HD1 TYS 216 HD1 TYS 216 4.615 7.490 6.787 681 HD2 TYS 216 HD2 TYS 216 1.580 8.777 9.548 682 HE1 TYS 216 HE1 TYS 216 3.947 5.128 7.166 683 HE2 TYS 216 HE2 TYS 216 0.918 6.419 9.918 684 H TYS 217 H TYS 217 6.437 10.943 9.764 685 HA TYS 217 HA TYS 217 7.002 8.583 11.389 686 HB2 TYS 217 HB2 TYS 217 8.340 9.160 8.745 687 HB3 TYS 217 HB1 TYS 217 9.203 8.304 10.018 688 HD1 TYS 217 HD1 TYS 217 7.238 7.822 7.173 689 HD2 TYS 217 HD2 TYS 217 7.683 6.381 11.200 690 HE1 TYS 217 HE1 TYS 217 6.121 5.700 6.540 691 HE2 TYS 217 HE2 TYS 217 6.554 4.269 10.564 692 H ASP 218 H ASP 218 6.698 11.214 12.173 693 HA ASP 218 HA ASP 218 8.825 12.931 12.225 694 HB2 ASP 218 HB2 ASP 218 8.046 13.675 14.420 695 HB3 ASP 218 HB3 ASP 218 6.675 13.357 13.358 696 H ASP 219 H ASP 219 8.567 9.825 13.798 697 HA ASP 219 HA ASP 219 10.792 10.176 15.568 698 HB2 ASP 219 HB2 ASP 219 9.333 7.728 14.564 699 HB3 ASP 219 HB3 ASP 219 10.663 7.652 15.718 700 H VAL 220 H VAL 220 10.370 9.070 12.275 701 HA VAL 220 HA VAL 220 11.867 8.579 10.611 702 HB VAL 220 HB VAL 220 14.015 9.753 12.378 703 HG11 VAL 220 HG11 VAL 220 14.683 8.672 10.243 704 HG12 VAL 220 HG12 VAL 220 14.978 10.411 10.222 705 HG13 VAL 220 HG13 VAL 220 13.583 9.744 9.375 706 HG21 VAL 220 HG21 VAL 220 11.846 11.120 10.771 707 HG22 VAL 220 HG22 VAL 220 13.357 11.927 11.188 708 HG23 VAL 220 HG23 VAL 220 12.268 11.381 12.463 709 H GLY 221 H GLY 221 13.900 8.212 13.527 710 HA2 GLY 221 HA2 GLY 221 15.343 6.001 12.802 711 HA3 GLY 221 HA3 GLY 221 14.858 6.325 14.464 712 H LEU 222 H LEU 222 11.979 6.166 13.288 713 HA LEU 222 HA LEU 222 11.124 3.795 14.286 714 HB2 LEU 222 HB2 LEU 222 9.602 5.502 13.461 715 HB3 LEU 222 HB3 LEU 222 10.129 5.235 11.808 716 HG LEU 222 HG LEU 222 7.906 4.182 12.469 717 HD11 LEU 222 HD11 LEU 222 9.755 3.301 10.657 718 HD12 LEU 222 HD12 LEU 222 8.162 2.589 10.872 719 HD13 LEU 222 HD13 LEU 222 9.559 1.856 11.650 720 HD21 LEU 222 HD21 LEU 222 7.830 2.295 13.888 721 HD22 LEU 222 HD22 LEU 222 8.862 3.442 14.739 722 HD23 LEU 222 HD23 LEU 222 9.580 2.093 13.860 723 H LEU 223 H LEU 223 12.422 4.331 11.026 724 HA LEU 223 HA LEU 223 12.020 1.992 9.732 725 HB2 LEU 223 HB2 LEU 223 13.556 4.063 9.170 726 HB3 LEU 223 HB3 LEU 223 14.836 3.048 9.814 727 HG LEU 223 HG LEU 223 14.786 2.672 7.449 728 HD11 LEU 223 HD11 LEU 223 14.438 0.314 7.325 729 HD12 LEU 223 HD12 LEU 223 13.250 0.348 8.625 730 HD13 LEU 223 HD13 LEU 223 14.952 0.655 8.976 731 HD21 LEU 223 HD21 LEU 223 11.914 1.765 7.457 732 HD22 LEU 223 HD22 LEU 223 12.889 2.386 6.132 733 HD23 LEU 223 HD23 LEU 223 12.268 3.490 7.353 Start of MODEL 2 1 H1 GLY 1 H1 GLY 1 6.138 -8.218 -8.226 2 H2 GLY 1 H2 GLY 1 7.526 -9.030 -7.675 3 H3 GLY 1 H3 GLY 1 6.116 -9.015 -6.729 4 HA2 GLY 1 HA2 GLY 1 6.568 -10.427 -9.294 5 HA3 GLY 1 HA3 GLY 1 6.199 -11.137 -7.722 6 HA PRO 2 HA PRO 2 2.249 -10.178 -10.141 7 HB2 PRO 2 HB2 PRO 2 1.551 -12.691 -10.920 8 HB3 PRO 2 HB3 PRO 2 2.654 -11.676 -11.872 9 HG2 PRO 2 HG2 PRO 2 3.295 -13.895 -9.973 10 HG3 PRO 2 HG3 PRO 2 3.994 -13.540 -11.564 11 HD2 PRO 2 HD2 PRO 2 5.221 -12.841 -9.203 12 HD3 PRO 2 HD3 PRO 2 5.443 -11.933 -10.715 13 H ALA 3 H ALA 3 3.204 -11.353 -7.332 14 HA ALA 3 HA ALA 3 1.025 -12.932 -6.402 15 HB1 ALA 3 HB1 ALA 3 3.212 -12.914 -5.277 16 HB2 ALA 3 HB2 ALA 3 1.924 -12.458 -4.161 17 HB3 ALA 3 HB3 ALA 3 2.978 -11.220 -4.844 18 H SER 4 H SER 4 -0.724 -12.344 -5.084 19 HA SER 4 HA SER 4 -1.287 -9.632 -4.373 20 HB2 SER 4 HB2 SER 4 -3.200 -9.275 -5.867 21 HB3 SER 4 HB3 SER 4 -1.715 -9.472 -6.795 22 HG SER 4 HG SER 4 -3.950 -11.089 -6.615 23 H VAL 5 H VAL 5 -1.219 -11.936 -2.882 24 HA VAL 5 HA VAL 5 -4.005 -12.120 -1.974 25 HB VAL 5 HB VAL 5 -2.355 -14.621 -2.355 26 HG11 VAL 5 HG11 VAL 5 -4.605 -15.674 -2.121 27 HG12 VAL 5 HG12 VAL 5 -5.296 -14.077 -1.838 28 HG13 VAL 5 HG13 VAL 5 -4.140 -14.755 -0.690 29 HG21 VAL 5 HG21 VAL 5 -3.878 -15.044 -4.317 30 HG22 VAL 5 HG22 VAL 5 -2.742 -13.721 -4.576 31 HG23 VAL 5 HG23 VAL 5 -4.427 -13.374 -4.187 32 HA PRO 6 HA PRO 6 -0.689 -11.977 1.342 33 HB2 PRO 6 HB2 PRO 6 -1.195 -9.500 2.342 34 HB3 PRO 6 HB3 PRO 6 -0.143 -9.754 0.934 35 HG2 PRO 6 HG2 PRO 6 -3.007 -8.901 1.020 36 HG3 PRO 6 HG3 PRO 6 -1.680 -8.281 0.020 37 HD2 PRO 6 HD2 PRO 6 -3.544 -10.084 -0.908 38 HD3 PRO 6 HD3 PRO 6 -1.885 -9.986 -1.543 39 H THR 7 H THR 7 -1.196 -11.217 3.779 40 HA THR 7 HA THR 7 -3.341 -12.838 4.681 41 HB THR 7 HB THR 7 -2.762 -12.057 6.897 42 HG1 THR 7 HG1 THR 7 -0.866 -10.268 6.017 43 HG21 THR 7 HG21 THR 7 -0.307 -12.261 5.131 44 HG22 THR 7 HG22 THR 7 -1.194 -13.619 5.825 45 HG23 THR 7 HG23 THR 7 -0.332 -12.498 6.878 46 H THR 8 H THR 8 -2.921 -9.301 4.574 47 HA THR 8 HA THR 8 -5.707 -8.864 4.072 48 HB THR 8 HB THR 8 -4.685 -7.970 6.776 49 HG1 THR 8 HG1 THR 8 -5.016 -10.085 7.031 50 HG21 THR 8 HG21 THR 8 -7.134 -7.502 7.107 51 HG22 THR 8 HG22 THR 8 -7.378 -7.858 5.398 52 HG23 THR 8 HG23 THR 8 -6.373 -6.492 5.878 53 H CYS 9 H CYS 9 -5.822 -7.073 2.882 54 HA CYS 9 HA CYS 9 -3.535 -5.383 2.527 55 HB2 CYS 9 HB2 CYS 9 -5.167 -4.048 1.097 56 HB3 CYS 9 HB3 CYS 9 -4.906 -5.723 0.614 57 H CYS 10 H CYS 10 -3.438 -4.845 4.905 58 HA CYS 10 HA CYS 10 -3.621 -3.288 6.584 59 HB2 CYS 10 HB2 CYS 10 -5.000 -1.462 4.621 60 HB3 CYS 10 HB3 CYS 10 -3.935 -1.038 5.961 61 H PHE 11 H PHE 11 -5.059 -2.816 8.209 62 HA PHE 11 HA PHE 11 -7.505 -4.079 8.366 63 HB2 PHE 11 HB2 PHE 11 -6.661 -1.514 9.740 64 HB3 PHE 11 HB3 PHE 11 -8.029 -2.519 10.222 65 HD1 PHE 11 HD1 PHE 11 -7.677 -4.768 11.163 66 HD2 PHE 11 HD2 PHE 11 -4.372 -2.228 10.125 67 HE1 PHE 11 HE1 PHE 11 -6.151 -6.218 12.474 68 HE2 PHE 11 HE2 PHE 11 -2.846 -3.679 11.436 69 HZ PHE 11 HZ PHE 11 -3.736 -5.674 12.610 70 H ASN 12 H ASN 12 -6.804 -0.770 7.327 71 HA ASN 12 HA ASN 12 -8.768 -0.586 5.386 72 HB2 ASN 12 HB2 ASN 12 -10.355 1.012 6.724 73 HB3 ASN 12 HB3 ASN 12 -10.577 -0.729 6.852 74 HD21 ASN 12 HD21 ASN 12 -11.006 -1.248 8.998 75 HD22 ASN 12 HD22 ASN 12 -10.218 -0.567 10.339 76 H LEU 13 H LEU 13 -7.202 0.584 4.351 77 HA LEU 13 HA LEU 13 -5.925 2.395 3.754 78 HB2 LEU 13 HB2 LEU 13 -7.791 4.124 5.363 79 HB3 LEU 13 HB3 LEU 13 -7.039 4.450 3.802 80 HG LEU 13 HG LEU 13 -9.269 2.475 4.367 81 HD11 LEU 13 HD11 LEU 13 -10.112 4.715 4.209 82 HD12 LEU 13 HD12 LEU 13 -10.429 3.948 2.652 83 HD13 LEU 13 HD13 LEU 13 -9.081 5.072 2.823 84 HD21 LEU 13 HD21 LEU 13 -7.921 1.422 2.710 85 HD22 LEU 13 HD22 LEU 13 -7.561 2.954 1.915 86 HD23 LEU 13 HD23 LEU 13 -9.176 2.255 1.795 87 H ALA 14 H ALA 14 -4.684 4.336 4.620 88 HA ALA 14 HA ALA 14 -3.357 3.529 7.074 89 HB1 ALA 14 HB1 ALA 14 -1.753 5.287 6.531 90 HB2 ALA 14 HB2 ALA 14 -2.815 5.891 5.258 91 HB3 ALA 14 HB3 ALA 14 -2.069 4.302 5.102 92 H ASN 15 H ASN 15 -2.981 6.777 6.954 93 HA ASN 15 HA ASN 15 -5.378 7.618 8.326 94 HB2 ASN 15 HB2 ASN 15 -2.802 7.196 9.844 95 HB3 ASN 15 HB3 ASN 15 -4.091 8.252 10.418 96 HD21 ASN 15 HD21 ASN 15 -3.000 5.009 10.391 97 HD22 ASN 15 HD22 ASN 15 -4.426 4.283 10.956 98 H ARG 16 H ARG 16 -2.221 8.878 9.135 99 HA ARG 16 HA ARG 16 -2.889 11.492 8.259 100 HB2 ARG 16 HB2 ARG 16 -0.084 10.498 8.768 101 HB3 ARG 16 HB3 ARG 16 -0.723 12.125 8.988 102 HG2 ARG 16 HG2 ARG 16 -2.231 11.262 10.770 103 HG3 ARG 16 HG3 ARG 16 -1.503 9.667 10.582 104 HD2 ARG 16 HD2 ARG 16 0.607 10.413 11.362 105 HD3 ARG 16 HD3 ARG 16 0.177 12.107 11.162 106 HE ARG 16 HE ARG 16 -0.799 12.034 13.260 107 HH11 ARG 16 HH21 ARG 16 -0.439 8.846 11.965 108 HH12 ARG 16 HH22 ARG 16 -0.962 8.050 13.412 109 HH21 ARG 16 HH11 ARG 16 -1.487 10.999 15.161 110 HH22 ARG 16 HH12 ARG 16 -1.556 9.268 15.221 111 H LYS 17 H LYS 17 0.071 9.881 7.141 112 HA LYS 17 HA LYS 17 -0.683 9.680 4.432 113 HB2 LYS 17 HB2 LYS 17 0.605 11.528 3.471 114 HB3 LYS 17 HB3 LYS 17 -0.684 12.133 4.505 115 HG2 LYS 17 HG2 LYS 17 0.917 12.464 6.338 116 HG3 LYS 17 HG3 LYS 17 2.217 11.817 5.334 117 HD2 LYS 17 HD2 LYS 17 1.607 13.650 3.638 118 HD3 LYS 17 HD3 LYS 17 0.658 14.376 4.935 119 HE2 LYS 17 HE2 LYS 17 3.602 13.692 5.165 120 HE3 LYS 17 HE3 LYS 17 2.984 15.297 4.778 121 HZ1 LYS 17 HZ1 LYS 17 2.596 13.750 7.270 122 HZ2 LYS 17 HZ2 LYS 17 1.648 15.106 6.881 123 HZ3 LYS 17 HZ3 LYS 17 3.326 15.269 7.085 124 H ILE 18 H ILE 18 1.812 10.223 3.225 125 HA ILE 18 HA ILE 18 3.713 8.520 4.684 126 HB ILE 18 HB ILE 18 2.419 8.005 2.026 127 HG12 ILE 18 HG12 ILE 18 1.864 6.873 4.319 128 HG13 ILE 18 HG13 ILE 18 1.983 5.872 2.878 129 HG21 ILE 18 HG21 ILE 18 4.254 6.322 1.546 130 HG22 ILE 18 HG22 ILE 18 5.222 7.139 2.767 131 HG23 ILE 18 HG23 ILE 18 4.703 8.011 1.329 132 HD11 ILE 18 HD11 ILE 18 4.410 6.318 4.605 133 HD12 ILE 18 HD12 ILE 18 4.069 4.997 3.498 134 HD13 ILE 18 HD13 ILE 18 3.218 5.100 5.038 135 HA PRO 19 HA PRO 19 6.391 11.818 3.183 136 HB2 PRO 19 HB2 PRO 19 8.840 10.524 3.396 137 HB3 PRO 19 HB3 PRO 19 7.995 11.284 4.757 138 HG2 PRO 19 HG2 PRO 19 8.042 8.413 3.931 139 HG3 PRO 19 HG3 PRO 19 8.175 9.113 5.552 140 HD2 PRO 19 HD2 PRO 19 5.884 8.058 4.717 141 HD3 PRO 19 HD3 PRO 19 5.878 9.524 5.711 142 H LEU 20 H LEU 20 6.923 12.420 1.149 143 HA LEU 20 HA LEU 20 6.658 10.574 -1.008 144 HB2 LEU 20 HB2 LEU 20 7.247 13.498 -0.752 145 HB3 LEU 20 HB3 LEU 20 7.578 12.714 -2.296 146 HG LEU 20 HG LEU 20 5.248 11.860 -2.343 147 HD11 LEU 20 HD11 LEU 20 4.783 11.746 0.031 148 HD12 LEU 20 HD12 LEU 20 3.630 12.856 -0.709 149 HD13 LEU 20 HD13 LEU 20 5.004 13.486 0.200 150 HD21 LEU 20 HD21 LEU 20 5.964 14.136 -3.284 151 HD22 LEU 20 HD22 LEU 20 5.223 14.843 -1.848 152 HD23 LEU 20 HD23 LEU 20 4.239 13.921 -2.985 153 H GLN 21 H GLN 21 9.389 11.746 0.800 154 HA GLN 21 HA GLN 21 11.411 11.307 -1.124 155 HB2 GLN 21 HB2 GLN 21 12.889 11.057 0.967 156 HB3 GLN 21 HB3 GLN 21 12.031 12.583 0.757 157 HG2 GLN 21 HG2 GLN 21 10.338 11.946 2.327 158 HG3 GLN 21 HG3 GLN 21 10.925 10.283 2.381 159 HE21 GLN 21 HE21 GLN 21 10.708 12.368 4.598 160 HE22 GLN 21 HE22 GLN 21 12.272 12.453 5.252 161 H ARG 22 H ARG 22 9.880 9.129 1.206 162 HA ARG 22 HA ARG 22 11.684 6.939 0.516 163 HB2 ARG 22 HB2 ARG 22 9.365 7.224 2.425 164 HB3 ARG 22 HB3 ARG 22 10.174 5.684 2.142 165 HG2 ARG 22 HG2 ARG 22 12.062 6.305 3.308 166 HG3 ARG 22 HG3 ARG 22 12.026 7.955 2.694 167 HD2 ARG 22 HD2 ARG 22 10.349 8.598 4.290 168 HD3 ARG 22 HD3 ARG 22 10.099 6.928 4.792 169 HE ARG 22 HE ARG 22 12.132 8.697 5.745 170 HH11 ARG 22 HH21 ARG 22 11.461 5.411 4.894 171 HH12 ARG 22 HH22 ARG 22 12.633 4.745 5.982 172 HH21 ARG 22 HH11 ARG 22 13.672 7.831 7.171 173 HH22 ARG 22 HH12 ARG 22 13.884 6.115 7.270 174 H LEU 23 H LEU 23 8.202 7.644 0.243 175 HA LEU 23 HA LEU 23 7.194 5.398 -0.881 176 HB2 LEU 23 HB2 LEU 23 5.628 7.082 -0.603 177 HB3 LEU 23 HB3 LEU 23 6.678 8.310 -1.262 178 HG LEU 23 HG LEU 23 4.651 7.791 -2.637 179 HD11 LEU 23 HD11 LEU 23 5.744 8.530 -4.447 180 HD12 LEU 23 HD12 LEU 23 6.748 7.087 -4.560 181 HD13 LEU 23 HD13 LEU 23 7.219 8.411 -3.498 182 HD21 LEU 23 HD21 LEU 23 4.120 5.714 -3.296 183 HD22 LEU 23 HD22 LEU 23 5.371 5.109 -2.224 184 HD23 LEU 23 HD23 LEU 23 5.728 5.402 -3.920 185 H GLU 24 H GLU 24 7.348 4.263 -2.759 186 HA GLU 24 HA GLU 24 9.333 5.193 -4.748 187 HB2 GLU 24 HB2 GLU 24 9.941 3.088 -3.764 188 HB3 GLU 24 HB3 GLU 24 8.325 2.440 -4.019 189 HG2 GLU 24 HG2 GLU 24 10.049 1.660 -5.698 190 HG3 GLU 24 HG3 GLU 24 8.625 2.411 -6.410 191 H SER 25 H SER 25 6.392 3.155 -4.752 192 HA SER 25 HA SER 25 5.258 4.729 -6.941 193 HB2 SER 25 HB2 SER 25 6.529 3.159 -8.227 194 HB3 SER 25 HB3 SER 25 6.026 1.818 -7.203 195 HG SER 25 HG SER 25 4.402 3.398 -8.916 196 H TYR 26 H TYR 26 3.100 3.426 -7.638 197 HA TYR 26 HA TYR 26 1.751 2.547 -5.144 198 HB2 TYR 26 HB2 TYR 26 -0.200 3.798 -5.705 199 HB3 TYR 26 HB3 TYR 26 1.159 4.906 -5.849 200 HD1 TYR 26 HD2 TYR 26 2.116 5.406 -8.135 201 HD2 TYR 26 HD1 TYR 26 -1.551 3.240 -7.587 202 HE1 TYR 26 HE2 TYR 26 1.508 5.850 -10.494 203 HE2 TYR 26 HE1 TYR 26 -2.161 3.679 -9.952 204 HH TYR 26 HH TYR 26 0.041 4.792 -12.242 205 H ARG 27 H ARG 27 -0.192 1.260 -5.506 206 HA ARG 27 HA ARG 27 -0.612 0.053 -8.097 207 HB2 ARG 27 HB2 ARG 27 -0.059 -2.231 -7.426 208 HB3 ARG 27 HB3 ARG 27 1.360 -1.198 -7.309 209 HG2 ARG 27 HG2 ARG 27 1.567 -2.098 -5.206 210 HG3 ARG 27 HG3 ARG 27 0.337 -0.919 -4.769 211 HD2 ARG 27 HD2 ARG 27 -1.423 -2.582 -5.072 212 HD3 ARG 27 HD3 ARG 27 -0.257 -3.752 -5.683 213 HE ARG 27 HE ARG 27 0.304 -2.750 -3.013 214 HH11 ARG 27 HH21 ARG 27 -1.253 -5.125 -4.990 215 HH12 ARG 27 HH22 ARG 27 -1.309 -6.327 -3.745 216 HH21 ARG 27 HH11 ARG 27 0.235 -4.323 -1.374 217 HH22 ARG 27 HH12 ARG 27 -0.466 -5.873 -1.697 218 H ARG 28 H ARG 28 -2.644 -0.794 -8.259 219 HA ARG 28 HA ARG 28 -4.464 -0.228 -6.120 220 HB2 ARG 28 HB2 ARG 28 -4.671 -0.502 -8.886 221 HB3 ARG 28 HB3 ARG 28 -5.537 -1.913 -8.290 222 HG2 ARG 28 HG2 ARG 28 -6.849 -0.375 -6.776 223 HG3 ARG 28 HG3 ARG 28 -6.065 0.989 -7.575 224 HD2 ARG 28 HD2 ARG 28 -7.832 -1.099 -8.875 225 HD3 ARG 28 HD3 ARG 28 -8.209 0.606 -8.642 226 HE ARG 28 HE ARG 28 -5.802 0.204 -10.167 227 HH11 ARG 28 HH21 ARG 28 -9.259 0.292 -10.247 228 HH12 ARG 28 HH22 ARG 28 -9.348 0.720 -11.923 229 HH21 ARG 28 HH11 ARG 28 -5.908 0.766 -12.365 230 HH22 ARG 28 HH12 ARG 28 -7.451 0.989 -13.123 231 H ILE 29 H ILE 29 -5.982 -1.807 -5.209 232 HA ILE 29 HA ILE 29 -4.601 -4.347 -4.598 233 HB ILE 29 HB ILE 29 -7.018 -3.568 -3.014 234 HG12 ILE 29 HG12 ILE 29 -4.412 -2.011 -2.847 235 HG13 ILE 29 HG13 ILE 29 -5.968 -1.363 -3.359 236 HG21 ILE 29 HG21 ILE 29 -5.546 -5.526 -2.510 237 HG22 ILE 29 HG22 ILE 29 -5.636 -4.379 -1.177 238 HG23 ILE 29 HG23 ILE 29 -4.213 -4.411 -2.215 239 HD11 ILE 29 HD11 ILE 29 -6.909 -1.969 -1.125 240 HD12 ILE 29 HD12 ILE 29 -5.612 -0.776 -1.030 241 HD13 ILE 29 HD13 ILE 29 -5.294 -2.458 -0.616 242 H THR 30 H THR 30 -8.040 -3.390 -4.673 243 HA THR 30 HA THR 30 -9.891 -4.544 -5.414 244 HB THR 30 HB THR 30 -9.831 -5.154 -7.739 245 HG1 THR 30 HG1 THR 30 -7.163 -4.812 -8.134 246 HG21 THR 30 HG21 THR 30 -8.991 -3.132 -8.702 247 HG22 THR 30 HG22 THR 30 -7.811 -2.929 -7.405 248 HG23 THR 30 HG23 THR 30 -9.531 -2.717 -7.075 249 H SER 31 H SER 31 -10.526 -6.792 -6.527 250 HA SER 31 HA SER 31 -10.751 -9.049 -6.160 251 HB2 SER 31 HB2 SER 31 -7.752 -9.008 -5.788 252 HB3 SER 31 HB3 SER 31 -8.748 -10.373 -6.284 253 HG SER 31 HG SER 31 -7.741 -8.307 -7.747 254 H GLY 32 H GLY 32 -10.583 -10.761 -4.535 255 HA2 GLY 32 HA2 GLY 32 -10.440 -11.579 -2.370 256 HA3 GLY 32 HA3 GLY 32 -9.493 -10.159 -1.936 257 H LYS 33 H LYS 33 -10.441 -8.664 -0.695 258 HA LYS 33 HA LYS 33 -13.262 -8.089 -0.862 259 HB2 LYS 33 HB2 LYS 33 -12.985 -10.196 0.624 260 HB3 LYS 33 HB3 LYS 33 -12.284 -9.096 1.809 261 HG2 LYS 33 HG2 LYS 33 -14.310 -7.812 1.944 262 HG3 LYS 33 HG3 LYS 33 -14.999 -8.629 0.542 263 HD2 LYS 33 HD2 LYS 33 -15.907 -9.473 2.717 264 HD3 LYS 33 HD3 LYS 33 -15.125 -10.726 1.756 265 HE2 LYS 33 HE2 LYS 33 -13.547 -9.198 3.821 266 HE3 LYS 33 HE3 LYS 33 -14.557 -10.563 4.298 267 HZ1 LYS 33 HZ1 LYS 33 -12.048 -10.552 2.924 268 HZ2 LYS 33 HZ2 LYS 33 -13.222 -11.471 2.109 269 HZ3 LYS 33 HZ3 LYS 33 -12.836 -11.822 3.726 270 H CYS 34 H CYS 34 -10.340 -6.996 -0.748 271 HA CYS 34 HA CYS 34 -9.857 -5.350 1.368 272 HB2 CYS 34 HB2 CYS 34 -9.485 -4.853 -1.582 273 HB3 CYS 34 HB3 CYS 34 -8.876 -3.745 -0.353 274 HA PRO 35 HA PRO 35 -13.056 -2.376 2.110 275 HB2 PRO 35 HB2 PRO 35 -10.961 -0.361 1.316 276 HB3 PRO 35 HB3 PRO 35 -12.108 -0.309 2.672 277 HG2 PRO 35 HG2 PRO 35 -9.557 -1.039 3.027 278 HG3 PRO 35 HG3 PRO 35 -10.877 -1.779 3.949 279 HD2 PRO 35 HD2 PRO 35 -9.204 -2.982 1.822 280 HD3 PRO 35 HD3 PRO 35 -10.210 -3.785 3.048 281 H GLN 36 H GLN 36 -11.000 -1.471 -0.671 282 HA GLN 36 HA GLN 36 -13.025 -1.753 -2.611 283 HB2 GLN 36 HB2 GLN 36 -13.290 0.741 -3.103 284 HB3 GLN 36 HB3 GLN 36 -14.154 0.128 -1.693 285 HG2 GLN 36 HG2 GLN 36 -12.431 0.955 -0.202 286 HG3 GLN 36 HG3 GLN 36 -11.414 1.414 -1.566 287 HE21 GLN 36 HE21 GLN 36 -13.748 2.596 0.608 288 HE22 GLN 36 HE22 GLN 36 -14.170 4.006 -0.239 289 H LYS 37 H LYS 37 -12.366 -0.241 -4.627 290 HA LYS 37 HA LYS 37 -9.786 -1.086 -5.406 291 HB2 LYS 37 HB2 LYS 37 -11.332 1.199 -6.640 292 HB3 LYS 37 HB3 LYS 37 -10.160 0.139 -7.423 293 HG2 LYS 37 HG2 LYS 37 -11.741 -1.793 -6.824 294 HG3 LYS 37 HG3 LYS 37 -12.940 -0.551 -6.458 295 HD2 LYS 37 HD2 LYS 37 -12.461 0.387 -8.794 296 HD3 LYS 37 HD3 LYS 37 -11.604 -1.122 -9.109 297 HE2 LYS 37 HE2 LYS 37 -13.616 -2.415 -8.632 298 HE3 LYS 37 HE3 LYS 37 -14.485 -0.948 -8.181 299 HZ1 LYS 37 HZ1 LYS 37 -13.624 -1.854 -10.840 300 HZ2 LYS 37 HZ2 LYS 37 -13.782 -0.188 -10.544 301 HZ3 LYS 37 HZ3 LYS 37 -15.120 -1.219 -10.353 302 H ALA 38 H ALA 38 -8.681 -0.274 -3.422 303 HA ALA 38 HA ALA 38 -8.111 2.598 -3.383 304 HB1 ALA 38 HB1 ALA 38 -8.423 1.842 -1.202 305 HB2 ALA 38 HB2 ALA 38 -6.668 1.761 -1.347 306 HB3 ALA 38 HB3 ALA 38 -7.637 0.298 -1.520 307 H VAL 39 H VAL 39 -5.740 3.168 -2.941 308 HA VAL 39 HA VAL 39 -3.999 1.668 -4.826 309 HB VAL 39 HB VAL 39 -2.979 3.710 -5.469 310 HG11 VAL 39 HG11 VAL 39 -5.894 4.442 -5.147 311 HG12 VAL 39 HG12 VAL 39 -5.346 3.225 -6.300 312 HG13 VAL 39 HG13 VAL 39 -4.800 4.895 -6.453 313 HG21 VAL 39 HG21 VAL 39 -2.673 4.898 -3.443 314 HG22 VAL 39 HG22 VAL 39 -4.393 4.847 -3.051 315 HG23 VAL 39 HG23 VAL 39 -3.812 5.895 -4.348 316 H ILE 40 H ILE 40 -2.343 0.681 -3.920 317 HA ILE 40 HA ILE 40 -1.574 1.324 -1.167 318 HB ILE 40 HB ILE 40 -1.217 -1.015 -3.019 319 HG12 ILE 40 HG12 ILE 40 -1.922 -0.913 -0.079 320 HG13 ILE 40 HG13 ILE 40 -3.125 -0.748 -1.357 321 HG21 ILE 40 HG21 ILE 40 1.045 -0.796 -2.255 322 HG22 ILE 40 HG22 ILE 40 0.299 -2.037 -1.253 323 HG23 ILE 40 HG23 ILE 40 0.521 -0.408 -0.613 324 HD11 ILE 40 HD11 ILE 40 -3.041 -3.080 -0.681 325 HD12 ILE 40 HD12 ILE 40 -1.292 -3.115 -0.884 326 HD13 ILE 40 HD13 ILE 40 -2.339 -2.944 -2.292 327 H PHE 41 H PHE 41 0.032 2.720 -0.806 328 HA PHE 41 HA PHE 41 2.037 3.257 -2.876 329 HB2 PHE 41 HB2 PHE 41 1.651 4.486 -0.129 330 HB3 PHE 41 HB3 PHE 41 2.825 5.014 -1.332 331 HD1 PHE 41 HD2 PHE 41 1.844 5.566 -3.721 332 HD2 PHE 41 HD1 PHE 41 -0.463 5.481 -0.104 333 HE1 PHE 41 HE2 PHE 41 0.129 7.009 -4.784 334 HE2 PHE 41 HE1 PHE 41 -2.165 6.923 -1.156 335 HZ PHE 41 HZ PHE 41 -1.878 7.689 -3.500 336 H LYS 42 H LYS 42 3.854 2.076 -2.939 337 HA LYS 42 HA LYS 42 4.700 0.613 -0.519 338 HB2 LYS 42 HB2 LYS 42 5.940 -0.818 -1.981 339 HB3 LYS 42 HB3 LYS 42 4.339 -0.607 -2.688 340 HG2 LYS 42 HG2 LYS 42 5.445 1.368 -4.003 341 HG3 LYS 42 HG3 LYS 42 6.964 0.584 -3.570 342 HD2 LYS 42 HD2 LYS 42 4.671 -0.623 -5.142 343 HD3 LYS 42 HD3 LYS 42 6.295 -0.265 -5.731 344 HE2 LYS 42 HE2 LYS 42 7.147 -1.877 -3.934 345 HE3 LYS 42 HE3 LYS 42 5.469 -2.380 -3.733 346 HZ1 LYS 42 HZ1 LYS 42 7.085 -3.536 -5.453 347 HZ2 LYS 42 HZ2 LYS 42 6.522 -2.283 -6.453 348 HZ3 LYS 42 HZ3 LYS 42 5.423 -3.373 -5.752 349 H THR 43 H THR 43 6.294 1.369 0.668 350 HA THR 43 HA THR 43 8.273 3.222 -0.549 351 HB THR 43 HB THR 43 8.265 4.484 1.378 352 HG1 THR 43 HG1 THR 43 7.263 2.532 3.073 353 HG21 THR 43 HG21 THR 43 5.652 3.129 2.011 354 HG22 THR 43 HG22 THR 43 5.826 4.110 0.553 355 HG23 THR 43 HG23 THR 43 6.073 4.837 2.141 356 H LYS 44 H LYS 44 10.473 3.049 0.259 357 HA LYS 44 HA LYS 44 11.335 0.317 0.451 358 HB2 LYS 44 HB2 LYS 44 13.609 1.368 0.734 359 HB3 LYS 44 HB3 LYS 44 12.750 1.869 -0.723 360 HG2 LYS 44 HG2 LYS 44 12.103 3.957 0.277 361 HG3 LYS 44 HG3 LYS 44 12.668 3.438 1.865 362 HD2 LYS 44 HD2 LYS 44 14.957 3.489 1.174 363 HD3 LYS 44 HD3 LYS 44 14.509 3.660 -0.524 364 HE2 LYS 44 HE2 LYS 44 13.668 5.882 -0.164 365 HE3 LYS 44 HE3 LYS 44 13.797 5.710 1.586 366 HZ1 LYS 44 HZ1 LYS 44 16.177 5.571 1.392 367 HZ2 LYS 44 HZ2 LYS 44 15.636 6.987 0.624 368 HZ3 LYS 44 HZ3 LYS 44 16.088 5.635 -0.300 369 H LEU 45 H LEU 45 9.642 0.637 2.522 370 HA LEU 45 HA LEU 45 11.262 1.084 4.948 371 HB2 LEU 45 HB2 LEU 45 8.370 1.219 4.258 372 HB3 LEU 45 HB3 LEU 45 8.730 0.607 5.863 373 HG LEU 45 HG LEU 45 8.362 3.154 5.583 374 HD11 LEU 45 HD11 LEU 45 10.897 2.203 6.948 375 HD12 LEU 45 HD12 LEU 45 9.272 2.055 7.615 376 HD13 LEU 45 HD13 LEU 45 9.972 3.650 7.344 377 HD21 LEU 45 HD21 LEU 45 10.195 3.053 3.606 378 HD22 LEU 45 HD22 LEU 45 11.280 3.387 4.952 379 HD23 LEU 45 HD23 LEU 45 9.951 4.485 4.595 380 H ALA 46 H ALA 46 8.495 -1.060 4.858 381 HA ALA 46 HA ALA 46 9.993 -3.489 4.659 382 HB1 ALA 46 HB1 ALA 46 10.630 -2.554 6.953 383 HB2 ALA 46 HB2 ALA 46 10.018 -4.207 6.913 384 HB3 ALA 46 HB3 ALA 46 8.965 -2.889 7.428 385 H LYS 47 H LYS 47 7.128 -1.731 4.841 386 HA LYS 47 HA LYS 47 5.573 -4.113 4.221 387 HB2 LYS 47 HB2 LYS 47 3.810 -3.004 6.006 388 HB3 LYS 47 HB3 LYS 47 4.881 -4.347 6.388 389 HG2 LYS 47 HG2 LYS 47 5.060 -2.639 8.112 390 HG3 LYS 47 HG3 LYS 47 6.579 -2.733 7.227 391 HD2 LYS 47 HD2 LYS 47 6.101 -0.736 6.004 392 HD3 LYS 47 HD3 LYS 47 4.410 -0.752 6.507 393 HE2 LYS 47 HE2 LYS 47 6.672 -0.528 8.500 394 HE3 LYS 47 HE3 LYS 47 5.949 0.889 7.744 395 HZ1 LYS 47 HZ1 LYS 47 3.749 -0.119 8.511 396 HZ2 LYS 47 HZ2 LYS 47 4.738 0.608 9.686 397 HZ3 LYS 47 HZ3 LYS 47 4.689 -1.083 9.541 398 H ASP 48 H ASP 48 3.537 -3.659 3.280 399 HA ASP 48 HA ASP 48 3.558 -1.236 1.704 400 HB2 ASP 48 HB2 ASP 48 1.770 -3.664 1.788 401 HB3 ASP 48 HB3 ASP 48 1.448 -2.286 0.741 402 H ILE 49 H ILE 49 1.908 0.303 1.590 403 HA ILE 49 HA ILE 49 0.158 0.510 3.983 404 HB ILE 49 HB ILE 49 1.447 2.743 2.391 405 HG12 ILE 49 HG12 ILE 49 2.911 1.237 3.974 406 HG13 ILE 49 HG13 ILE 49 3.040 2.985 4.093 407 HG21 ILE 49 HG21 ILE 49 0.607 4.102 4.380 408 HG22 ILE 49 HG22 ILE 49 -0.376 2.700 4.802 409 HG23 ILE 49 HG23 ILE 49 -0.627 3.522 3.262 410 HD11 ILE 49 HD11 ILE 49 1.020 1.599 5.827 411 HD12 ILE 49 HD12 ILE 49 1.943 3.068 6.134 412 HD13 ILE 49 HD13 ILE 49 2.723 1.494 6.267 413 H CYS 50 H CYS 50 -1.975 0.932 3.632 414 HA CYS 50 HA CYS 50 -2.889 1.018 0.821 415 HB2 CYS 50 HB2 CYS 50 -4.442 0.432 3.354 416 HB3 CYS 50 HB3 CYS 50 -5.043 0.288 1.702 417 H ALA 51 H ALA 51 -4.697 2.409 0.264 418 HA ALA 51 HA ALA 51 -5.593 4.499 1.962 419 HB1 ALA 51 HB1 ALA 51 -4.280 6.304 1.411 420 HB2 ALA 51 HB2 ALA 51 -3.901 5.685 -0.198 421 HB3 ALA 51 HB3 ALA 51 -3.074 5.036 1.214 422 H ASP 52 H ASP 52 -7.348 5.534 1.107 423 HA ASP 52 HA ASP 52 -8.347 4.517 -1.442 424 HB2 ASP 52 HB2 ASP 52 -9.863 4.415 0.424 425 HB3 ASP 52 HB3 ASP 52 -9.610 6.119 0.789 426 HA PRO 53 HA PRO 53 -7.306 8.332 -3.565 427 HB2 PRO 53 HB2 PRO 53 -9.040 8.206 -5.685 428 HB3 PRO 53 HB3 PRO 53 -7.585 7.199 -5.561 429 HG2 PRO 53 HG2 PRO 53 -10.418 6.505 -4.902 430 HG3 PRO 53 HG3 PRO 53 -9.204 5.559 -5.787 431 HD2 PRO 53 HD2 PRO 53 -9.759 5.067 -3.187 432 HD3 PRO 53 HD3 PRO 53 -8.119 4.875 -3.841 433 H LYS 54 H LYS 54 -8.405 9.243 -1.490 434 HA LYS 54 HA LYS 54 -10.465 11.138 -2.379 435 HB2 LYS 54 HB2 LYS 54 -10.737 9.210 -0.075 436 HB3 LYS 54 HB3 LYS 54 -11.596 10.749 -0.077 437 HG2 LYS 54 HG2 LYS 54 -12.770 10.194 -2.096 438 HG3 LYS 54 HG3 LYS 54 -11.754 8.783 -2.374 439 HD2 LYS 54 HD2 LYS 54 -12.635 7.876 -0.151 440 HD3 LYS 54 HD3 LYS 54 -13.834 9.168 -0.215 441 HE2 LYS 54 HE2 LYS 54 -14.671 8.344 -2.350 442 HE3 LYS 54 HE3 LYS 54 -13.405 7.117 -2.407 443 HZ1 LYS 54 HZ1 LYS 54 -15.078 7.170 -0.023 444 HZ2 LYS 54 HZ2 LYS 54 -14.431 5.847 -0.869 445 HZ3 LYS 54 HZ3 LYS 54 -15.818 6.637 -1.453 446 H LYS 55 H LYS 55 -8.261 10.091 0.205 447 HA LYS 55 HA LYS 55 -8.164 12.658 1.457 448 HB2 LYS 55 HB2 LYS 55 -5.763 11.066 1.945 449 HB3 LYS 55 HB3 LYS 55 -7.034 11.523 3.070 450 HG2 LYS 55 HG2 LYS 55 -8.450 9.660 2.123 451 HG3 LYS 55 HG3 LYS 55 -7.055 9.156 1.176 452 HD2 LYS 55 HD2 LYS 55 -6.833 7.793 3.058 453 HD3 LYS 55 HD3 LYS 55 -5.815 9.158 3.502 454 HE2 LYS 55 HE2 LYS 55 -7.344 8.469 5.344 455 HE3 LYS 55 HE3 LYS 55 -7.631 10.127 4.827 456 HZ1 LYS 55 HZ1 LYS 55 -9.586 9.567 3.802 457 HZ2 LYS 55 HZ2 LYS 55 -9.602 8.483 5.110 458 HZ3 LYS 55 HZ3 LYS 55 -9.141 7.947 3.565 459 H LYS 56 H LYS 56 -6.604 14.262 1.282 460 HA LYS 56 HA LYS 56 -5.727 14.930 -1.238 461 HB2 LYS 56 HB2 LYS 56 -5.908 16.406 0.825 462 HB3 LYS 56 HB3 LYS 56 -4.303 15.822 1.263 463 HG2 LYS 56 HG2 LYS 56 -3.576 16.529 -1.098 464 HG3 LYS 56 HG3 LYS 56 -5.105 17.404 -1.185 465 HD2 LYS 56 HD2 LYS 56 -4.432 18.493 1.038 466 HD3 LYS 56 HD3 LYS 56 -2.820 17.839 0.746 467 HE2 LYS 56 HE2 LYS 56 -4.347 19.690 -1.110 468 HE3 LYS 56 HE3 LYS 56 -2.968 20.139 -0.105 469 HZ1 LYS 56 HZ1 LYS 56 -1.791 19.619 -1.919 470 HZ2 LYS 56 HZ2 LYS 56 -3.039 18.693 -2.605 471 HZ3 LYS 56 HZ3 LYS 56 -2.018 18.010 -1.429 472 H TRP 57 H TRP 57 -3.558 13.698 1.362 473 HA TRP 57 HA TRP 57 -1.261 13.652 -0.204 474 HB2 TRP 57 HB2 TRP 57 -0.247 12.311 1.445 475 HB3 TRP 57 HB3 TRP 57 -1.417 13.308 2.301 476 HD1 TRP 57 HD1 TRP 57 -3.650 12.123 3.170 477 HE1 TRP 57 HE1 TRP 57 -4.147 9.660 3.736 478 HE3 TRP 57 HE3 TRP 57 0.256 9.846 0.775 479 HZ2 TRP 57 HZ2 TRP 57 -3.044 7.070 3.242 480 HZ3 TRP 57 HZ3 TRP 57 0.503 7.384 0.841 481 HH2 TRP 57 HH2 TRP 57 -1.137 5.995 2.073 482 H VAL 58 H VAL 58 -3.949 11.445 -0.291 483 HA VAL 58 HA VAL 58 -2.503 9.292 -1.519 484 HB VAL 58 HB VAL 58 -5.464 9.923 -1.462 485 HG11 VAL 58 HG11 VAL 58 -5.032 8.525 -3.391 486 HG12 VAL 58 HG12 VAL 58 -5.683 7.495 -2.117 487 HG13 VAL 58 HG13 VAL 58 -3.959 7.491 -2.459 488 HG21 VAL 58 HG21 VAL 58 -5.380 7.911 0.126 489 HG22 VAL 58 HG22 VAL 58 -4.706 9.417 0.738 490 HG23 VAL 58 HG23 VAL 58 -3.635 8.148 0.162 491 H GLN 59 H GLN 59 -4.787 11.719 -2.806 492 HA GLN 59 HA GLN 59 -4.343 11.012 -5.518 493 HB2 GLN 59 HB2 GLN 59 -5.216 13.790 -4.808 494 HB3 GLN 59 HB3 GLN 59 -5.840 12.695 -6.041 495 HG2 GLN 59 HG2 GLN 59 -6.586 11.251 -3.948 496 HG3 GLN 59 HG3 GLN 59 -6.445 12.782 -3.096 497 HE21 GLN 59 HE21 GLN 59 -8.579 10.896 -4.942 498 HE22 GLN 59 HE22 GLN 59 -9.694 12.113 -5.338 499 H ASP 60 H ASP 60 -2.803 13.280 -3.334 500 HA ASP 60 HA ASP 60 -1.320 14.682 -5.339 501 HB2 ASP 60 HB2 ASP 60 -1.908 15.478 -2.978 502 HB3 ASP 60 HB3 ASP 60 -0.580 14.459 -2.426 503 H SER 61 H SER 61 -0.656 11.897 -3.266 504 HA SER 61 HA SER 61 2.118 11.753 -3.710 505 HB2 SER 61 HB2 SER 61 0.095 9.641 -2.991 506 HB3 SER 61 HB3 SER 61 1.827 9.327 -3.076 507 HG SER 61 HG SER 61 2.126 10.955 -1.521 508 H MET 62 H MET 62 -0.524 9.977 -5.387 509 HA MET 62 HA MET 62 1.268 8.727 -7.218 510 HB2 MET 62 HB2 MET 62 -0.840 8.279 -8.554 511 HB3 MET 62 HB3 MET 62 -0.839 7.664 -6.903 512 HG2 MET 62 HG2 MET 62 -2.304 9.332 -6.151 513 HG3 MET 62 HG3 MET 62 -1.955 10.395 -7.507 514 HE1 MET 62 HE1 MET 62 -3.406 6.866 -6.545 515 HE2 MET 62 HE2 MET 62 -5.048 7.130 -7.126 516 HE3 MET 62 HE3 MET 62 -4.360 8.220 -5.925 517 H LYS 63 H LYS 63 -0.491 11.762 -7.223 518 HA LYS 63 HA LYS 63 -0.176 12.379 -9.971 519 HB2 LYS 63 HB2 LYS 63 -1.772 13.611 -8.626 520 HB3 LYS 63 HB3 LYS 63 -0.497 14.161 -7.541 521 HG2 LYS 63 HG2 LYS 63 -1.199 15.897 -9.203 522 HG3 LYS 63 HG3 LYS 63 0.511 15.491 -9.314 523 HD2 LYS 63 HD2 LYS 63 0.215 14.250 -11.299 524 HD3 LYS 63 HD3 LYS 63 -1.519 14.065 -11.035 525 HE2 LYS 63 HE2 LYS 63 -0.097 16.664 -11.688 526 HE3 LYS 63 HE3 LYS 63 -1.076 15.716 -12.809 527 HZ1 LYS 63 HZ1 LYS 63 -2.631 16.078 -10.561 528 HZ2 LYS 63 HZ2 LYS 63 -2.820 16.837 -12.070 529 HZ3 LYS 63 HZ3 LYS 63 -1.910 17.586 -10.847 530 H TYR 64 H TYR 64 1.805 12.905 -7.110 531 HA TYR 64 HA TYR 64 3.793 14.501 -8.371 532 HB2 TYR 64 HB2 TYR 64 4.171 14.761 -6.137 533 HB3 TYR 64 HB3 TYR 64 3.304 13.281 -5.757 534 HD1 TYR 64 HD1 TYR 64 6.515 14.173 -7.510 535 HD2 TYR 64 HD2 TYR 64 4.569 11.728 -4.562 536 HE1 TYR 64 HE1 TYR 64 8.673 13.063 -7.004 537 HE2 TYR 64 HE2 TYR 64 6.726 10.622 -4.052 538 HH TYR 64 HH TYR 64 9.738 11.809 -5.296 539 H LEU 65 H LEU 65 3.236 11.060 -8.062 540 HA LEU 65 HA LEU 65 5.827 10.264 -9.011 541 HB2 LEU 65 HB2 LEU 65 3.209 8.863 -8.522 542 HB3 LEU 65 HB3 LEU 65 4.493 8.034 -9.398 543 HG LEU 65 HG LEU 65 5.173 9.394 -6.796 544 HD11 LEU 65 HD11 LEU 65 3.394 8.190 -5.907 545 HD12 LEU 65 HD12 LEU 65 4.684 6.993 -5.790 546 HD13 LEU 65 HD13 LEU 65 3.521 6.908 -7.107 547 HD21 LEU 65 HD21 LEU 65 6.959 7.851 -6.754 548 HD22 LEU 65 HD22 LEU 65 6.800 8.216 -8.470 549 HD23 LEU 65 HD23 LEU 65 6.131 6.720 -7.824 550 H ASP 66 H ASP 66 2.937 11.383 -10.452 551 HA ASP 66 HA ASP 66 3.222 10.128 -13.002 552 HB2 ASP 66 HB2 ASP 66 1.137 11.220 -11.946 553 HB3 ASP 66 HB3 ASP 66 1.811 12.745 -12.514 554 H GLN 67 H GLN 67 4.401 13.106 -11.556 555 HA GLN 67 HA GLN 67 5.243 14.412 -13.911 556 HB2 GLN 67 HB2 GLN 67 6.484 14.570 -11.154 557 HB3 GLN 67 HB3 GLN 67 6.648 15.757 -12.448 558 HG2 GLN 67 HG2 GLN 67 4.205 16.137 -12.403 559 HG3 GLN 67 HG3 GLN 67 4.052 14.967 -11.094 560 HE21 GLN 67 HE21 GLN 67 5.153 15.535 -9.003 561 HE22 GLN 67 HE22 GLN 67 5.414 17.170 -8.625 562 H LYS 68 H LYS 68 7.110 12.417 -11.609 563 HA LYS 68 HA LYS 68 9.411 12.353 -13.348 564 HB2 LYS 68 HB2 LYS 68 10.334 10.797 -11.660 565 HB3 LYS 68 HB3 LYS 68 9.715 12.278 -10.929 566 HG2 LYS 68 HG2 LYS 68 7.510 10.981 -10.599 567 HG3 LYS 68 HG3 LYS 68 8.453 9.536 -10.950 568 HD2 LYS 68 HD2 LYS 68 9.148 11.541 -8.784 569 HD3 LYS 68 HD3 LYS 68 8.285 10.031 -8.499 570 HE2 LYS 68 HE2 LYS 68 10.531 9.485 -8.031 571 HE3 LYS 68 HE3 LYS 68 10.297 8.893 -9.675 572 HZ1 LYS 68 HZ1 LYS 68 11.070 11.623 -9.679 573 HZ2 LYS 68 HZ2 LYS 68 11.823 10.293 -10.423 574 HZ3 LYS 68 HZ3 LYS 68 12.195 10.694 -8.815 575 H SER 69 H SER 69 6.726 10.199 -12.570 576 HA SER 69 HA SER 69 5.986 8.261 -13.568 577 HB2 SER 69 HB2 SER 69 6.204 9.807 -15.583 578 HB3 SER 69 HB3 SER 69 7.739 9.005 -15.906 579 HG SER 69 HG SER 69 6.693 7.131 -16.268 580 HA PRO 70 HA PRO 70 9.855 6.120 -12.109 581 HB2 PRO 70 HB2 PRO 70 7.686 4.110 -11.579 582 HB3 PRO 70 HB3 PRO 70 9.061 4.578 -10.558 583 HG2 PRO 70 HG2 PRO 70 6.619 5.461 -10.020 584 HG3 PRO 70 HG3 PRO 70 8.029 6.519 -9.831 585 HD2 PRO 70 HD2 PRO 70 5.948 6.525 -11.988 586 HD3 PRO 70 HD3 PRO 70 6.836 7.890 -11.276 587 H THR 71 H THR 71 11.105 4.879 -13.401 588 HA THR 71 HA THR 71 10.080 3.921 -15.901 589 HB THR 71 HB THR 71 12.276 3.695 -16.536 590 HG1 THR 71 HG1 THR 71 13.441 3.182 -14.117 591 HG21 THR 71 HG21 THR 71 11.958 5.917 -15.287 592 HG22 THR 71 HG22 THR 71 13.618 5.379 -15.542 593 HG23 THR 71 HG23 THR 71 12.855 5.168 -13.965 594 HA PRO 72 HA PRO 72 11.103 -0.345 -13.632 595 HB2 PRO 72 HB2 PRO 72 9.813 0.419 -11.035 596 HB3 PRO 72 HB3 PRO 72 11.221 -0.623 -11.331 597 HG2 PRO 72 HG2 PRO 72 11.540 1.831 -10.386 598 HG3 PRO 72 HG3 PRO 72 12.658 1.179 -11.600 599 HD2 PRO 72 HD2 PRO 72 10.412 3.140 -11.968 600 HD3 PRO 72 HD3 PRO 72 12.021 3.121 -12.725 601 H LYS 73 H LYS 73 9.537 -2.055 -13.443 602 HA LYS 73 HA LYS 73 6.732 -1.457 -13.182 603 HB2 LYS 73 HB2 LYS 73 7.539 -0.837 -15.617 604 HB3 LYS 73 HB3 LYS 73 7.486 -2.577 -15.875 605 HG2 LYS 73 HG2 LYS 73 5.163 -0.932 -14.811 606 HG3 LYS 73 HG3 LYS 73 5.353 -1.415 -16.494 607 HD2 LYS 73 HD2 LYS 73 5.517 -3.827 -15.612 608 HD3 LYS 73 HD3 LYS 73 4.902 -3.186 -14.087 609 HE2 LYS 73 HE2 LYS 73 3.019 -3.985 -15.392 610 HE3 LYS 73 HE3 LYS 73 2.957 -2.224 -15.348 611 HZ1 LYS 73 HZ1 LYS 73 2.941 -3.784 -17.588 612 HZ2 LYS 73 HZ2 LYS 73 4.533 -3.194 -17.522 613 HZ3 LYS 73 HZ3 LYS 73 3.222 -2.113 -17.536 614 HA PRO 74 HA PRO 74 8.284 -5.661 -11.813 615 HB2 PRO 74 HB2 PRO 74 5.895 -5.113 -10.072 616 HB3 PRO 74 HB3 PRO 74 7.456 -5.846 -9.643 617 HG2 PRO 74 HG2 PRO 74 6.924 -3.330 -8.995 618 HG3 PRO 74 HG3 PRO 74 8.540 -3.800 -9.555 619 HD2 PRO 74 HD2 PRO 74 6.400 -2.303 -11.025 620 HD3 PRO 74 HD3 PRO 74 8.167 -2.147 -11.143 621 H1 VAL 208 H1 VAL 208 -9.675 4.734 18.688 622 H2 VAL 208 H2 VAL 208 -9.642 5.958 17.509 623 H3 VAL 208 H3 VAL 208 -8.329 5.759 18.569 624 HA VAL 208 HA VAL 208 -7.753 3.671 17.598 625 HB VAL 208 HB VAL 208 -9.065 2.817 15.671 626 HG11 VAL 208 HG11 VAL 208 -10.754 3.312 18.142 627 HG12 VAL 208 HG12 VAL 208 -9.541 2.040 17.988 628 HG13 VAL 208 HG13 VAL 208 -10.981 2.014 16.969 629 HG21 VAL 208 HG21 VAL 208 -10.037 4.867 14.842 630 HG22 VAL 208 HG22 VAL 208 -10.850 5.163 16.378 631 HG23 VAL 208 HG23 VAL 208 -11.365 3.825 15.352 632 H GLU 209 H GLU 209 -7.136 6.477 17.382 633 HA GLU 209 HA GLU 209 -5.947 7.929 16.059 634 HB2 GLU 209 HB2 GLU 209 -4.575 5.809 15.823 635 HB3 GLU 209 HB3 GLU 209 -5.416 5.534 14.298 636 HG2 GLU 209 HG2 GLU 209 -3.384 6.684 13.754 637 HG3 GLU 209 HG3 GLU 209 -4.686 7.863 13.602 638 H THR 210 H THR 210 -7.280 9.359 15.110 639 HA THR 210 HA THR 210 -9.214 8.650 13.125 640 HB THR 210 HB THR 210 -9.564 11.079 12.927 641 HG1 THR 210 HG1 THR 210 -8.166 12.469 13.768 642 HG21 THR 210 HG21 THR 210 -10.197 11.491 15.264 643 HG22 THR 210 HG22 THR 210 -9.161 10.164 15.789 644 HG23 THR 210 HG23 THR 210 -10.588 9.835 14.805 645 H PHE 211 H PHE 211 -9.252 9.341 10.917 646 HA PHE 211 HA PHE 211 -6.661 9.082 9.624 647 HB2 PHE 211 HB2 PHE 211 -9.448 9.385 8.477 648 HB3 PHE 211 HB3 PHE 211 -7.993 9.053 7.537 649 HD1 PHE 211 HD1 PHE 211 -9.955 7.750 10.453 650 HD2 PHE 211 HD2 PHE 211 -7.318 6.821 7.189 651 HE1 PHE 211 HE1 PHE 211 -10.199 5.333 10.942 652 HE2 PHE 211 HE2 PHE 211 -7.563 4.404 7.681 653 HZ PHE 211 HZ PHE 211 -9.004 3.659 9.556 654 H GLY 212 H GLY 212 -6.072 11.229 10.734 655 HA2 GLY 212 HA2 GLY 212 -7.152 13.634 9.546 656 HA3 GLY 212 HA3 GLY 212 -5.808 13.537 10.679 657 H THR 213 H THR 213 -4.451 14.901 9.520 658 HA THR 213 HA THR 213 -2.994 13.655 7.362 659 HB THR 213 HB THR 213 -4.363 16.284 6.774 660 HG1 THR 213 HG1 THR 213 -4.992 13.662 5.894 661 HG21 THR 213 HG21 THR 213 -3.634 15.696 4.448 662 HG22 THR 213 HG22 THR 213 -2.763 14.317 5.117 663 HG23 THR 213 HG23 THR 213 -2.289 15.957 5.560 664 H THR 214 H THR 214 -1.112 13.889 8.483 665 HA THR 214 HA THR 214 0.110 16.488 8.499 666 HB THR 214 HB THR 214 -1.231 16.605 10.584 667 HG1 THR 214 HG1 THR 214 1.264 17.142 10.240 668 HG21 THR 214 HG21 THR 214 -1.072 14.080 10.951 669 HG22 THR 214 HG22 THR 214 -0.871 15.089 12.383 670 HG23 THR 214 HG23 THR 214 0.540 14.380 11.598 671 H SER 215 H SER 215 2.256 16.159 10.045 672 HA SER 215 HA SER 215 4.028 14.623 8.653 673 HB2 SER 215 HB2 SER 215 4.230 14.908 11.644 674 HB3 SER 215 HB3 SER 215 5.537 14.820 10.467 675 HG SER 215 HG SER 215 3.612 16.892 10.756 676 H TYS 216 H TYS 216 4.325 12.528 8.309 677 HA TYS 216 HA TYS 216 2.986 10.573 10.073 678 HB2 TYS 216 HB2 TYS 216 2.440 10.579 7.627 679 HB3 TYS 216 HB1 TYS 216 4.121 10.179 7.292 680 HD1 TYS 216 HD1 TYS 216 1.433 8.964 9.667 681 HD2 TYS 216 HD2 TYS 216 4.504 7.925 6.844 682 HE1 TYS 216 HE1 TYS 216 0.946 6.565 10.014 683 HE2 TYS 216 HE2 TYS 216 4.014 5.523 7.197 684 H TYS 217 H TYS 217 4.160 8.525 10.439 685 HA TYS 217 HA TYS 217 5.924 7.357 11.285 686 HB2 TYS 217 HB2 TYS 217 7.235 8.938 9.098 687 HB3 TYS 217 HB1 TYS 217 8.279 8.122 10.252 688 HD1 TYS 217 HD1 TYS 217 7.339 5.601 10.846 689 HD2 TYS 217 HD2 TYS 217 6.781 7.732 7.153 690 HE1 TYS 217 HE1 TYS 217 6.968 3.458 9.662 691 HE2 TYS 217 HE2 TYS 217 6.411 5.584 5.973 692 H ASP 218 H ASP 218 6.063 10.849 11.395 693 HA ASP 218 HA ASP 218 7.011 12.301 12.909 694 HB2 ASP 218 HB2 ASP 218 6.298 9.935 14.651 695 HB3 ASP 218 HB3 ASP 218 6.866 11.473 15.298 696 H ASP 219 H ASP 219 8.149 9.545 14.735 697 HA ASP 219 HA ASP 219 10.880 10.495 14.562 698 HB2 ASP 219 HB2 ASP 219 10.027 7.884 15.794 699 HB3 ASP 219 HB3 ASP 219 11.367 8.935 16.250 700 H VAL 220 H VAL 220 11.899 10.124 12.674 701 HA VAL 220 HA VAL 220 11.353 8.131 10.822 702 HB VAL 220 HB VAL 220 14.137 9.196 11.291 703 HG11 VAL 220 HG11 VAL 220 13.872 7.554 9.496 704 HG12 VAL 220 HG12 VAL 220 14.157 9.148 8.799 705 HG13 VAL 220 HG13 VAL 220 12.527 8.475 8.821 706 HG21 VAL 220 HG21 VAL 220 11.689 10.602 10.198 707 HG22 VAL 220 HG22 VAL 220 13.328 11.117 9.796 708 HG23 VAL 220 HG23 VAL 220 12.778 11.152 11.472 709 H GLY 221 H GLY 221 12.615 7.758 13.912 710 HA2 GLY 221 HA2 GLY 221 14.356 5.519 13.426 711 HA3 GLY 221 HA3 GLY 221 13.752 6.052 14.993 712 H LEU 222 H LEU 222 10.984 5.962 13.566 713 HA LEU 222 HA LEU 222 10.320 3.295 14.479 714 HB2 LEU 222 HB2 LEU 222 8.754 5.035 15.005 715 HB3 LEU 222 HB3 LEU 222 8.687 5.567 13.328 716 HG LEU 222 HG LEU 222 7.541 3.556 12.653 717 HD11 LEU 222 HD11 LEU 222 8.596 1.830 13.892 718 HD12 LEU 222 HD12 LEU 222 6.947 1.862 14.517 719 HD13 LEU 222 HD13 LEU 222 8.253 2.614 15.435 720 HD21 LEU 222 HD21 LEU 222 6.449 4.660 15.258 721 HD22 LEU 222 HD22 LEU 222 5.524 3.648 14.149 722 HD23 LEU 222 HD23 LEU 222 6.088 5.238 13.632 723 H LEU 223 H LEU 223 11.138 1.774 13.090 724 HA LEU 223 HA LEU 223 9.778 1.450 10.565 725 HB2 LEU 223 HB2 LEU 223 11.636 1.589 9.105 726 HB3 LEU 223 HB3 LEU 223 11.715 3.034 10.109 727 HG LEU 223 HG LEU 223 13.215 1.295 11.630 728 HD11 LEU 223 HD11 LEU 223 12.944 -0.350 9.621 729 HD12 LEU 223 HD12 LEU 223 14.548 -0.131 10.316 730 HD13 LEU 223 HD13 LEU 223 14.119 0.685 8.813 731 HD21 LEU 223 HD21 LEU 223 14.229 3.009 9.334 732 HD22 LEU 223 HD22 LEU 223 15.195 2.447 10.699 733 HD23 LEU 223 HD23 LEU 223 13.870 3.580 10.965 Start of MODEL 3 1 H1 GLY 1 H1 GLY 1 -6.184 -14.729 -8.170 2 H2 GLY 1 H2 GLY 1 -6.830 -13.182 -8.444 3 H3 GLY 1 H3 GLY 1 -7.320 -14.082 -7.090 4 HA2 GLY 1 HA2 GLY 1 -5.380 -12.190 -7.101 5 HA3 GLY 1 HA3 GLY 1 -5.596 -13.430 -5.865 6 HA PRO 2 HA PRO 2 -2.337 -15.362 -8.769 7 HB2 PRO 2 HB2 PRO 2 -1.664 -14.116 -11.093 8 HB3 PRO 2 HB3 PRO 2 -3.085 -15.175 -10.963 9 HG2 PRO 2 HG2 PRO 2 -2.944 -12.189 -10.889 10 HG3 PRO 2 HG3 PRO 2 -4.102 -13.239 -11.729 11 HD2 PRO 2 HD2 PRO 2 -4.654 -12.026 -9.322 12 HD3 PRO 2 HD3 PRO 2 -5.387 -13.567 -9.822 13 H ALA 3 H ALA 3 -2.304 -12.631 -7.200 14 HA ALA 3 HA ALA 3 0.552 -12.483 -6.979 15 HB1 ALA 3 HB1 ALA 3 0.700 -10.065 -7.625 16 HB2 ALA 3 HB2 ALA 3 -0.930 -10.192 -8.285 17 HB3 ALA 3 HB3 ALA 3 0.380 -11.145 -8.981 18 H SER 4 H SER 4 0.927 -12.103 -4.898 19 HA SER 4 HA SER 4 0.652 -11.417 -2.724 20 HB2 SER 4 HB2 SER 4 0.752 -9.180 -3.958 21 HB3 SER 4 HB3 SER 4 -1.005 -9.149 -3.827 22 HG SER 4 HG SER 4 -0.850 -9.040 -1.659 23 H VAL 5 H VAL 5 -0.585 -12.908 -1.715 24 HA VAL 5 HA VAL 5 -3.424 -12.307 -1.367 25 HB VAL 5 HB VAL 5 -3.991 -14.745 -1.805 26 HG11 VAL 5 HG11 VAL 5 -4.484 -12.836 -3.380 27 HG12 VAL 5 HG12 VAL 5 -4.273 -14.392 -4.182 28 HG13 VAL 5 HG13 VAL 5 -2.970 -13.204 -4.209 29 HG21 VAL 5 HG21 VAL 5 -2.476 -16.079 -3.083 30 HG22 VAL 5 HG22 VAL 5 -1.515 -15.404 -1.768 31 HG23 VAL 5 HG23 VAL 5 -1.409 -14.707 -3.384 32 HA PRO 6 HA PRO 6 -1.121 -14.108 2.300 33 HB2 PRO 6 HB2 PRO 6 -1.018 -11.897 3.875 34 HB3 PRO 6 HB3 PRO 6 0.189 -12.209 2.612 35 HG2 PRO 6 HG2 PRO 6 -2.197 -10.408 2.536 36 HG3 PRO 6 HG3 PRO 6 -0.547 -10.111 1.957 37 HD2 PRO 6 HD2 PRO 6 -2.608 -10.859 0.291 38 HD3 PRO 6 HD3 PRO 6 -0.903 -11.242 -0.040 39 H THR 7 H THR 7 -3.870 -14.302 1.554 40 HA THR 7 HA THR 7 -5.954 -14.671 2.448 41 HB THR 7 HB THR 7 -4.404 -14.737 5.049 42 HG1 THR 7 HG1 THR 7 -3.564 -16.300 3.817 43 HG21 THR 7 HG21 THR 7 -6.328 -16.290 5.668 44 HG22 THR 7 HG22 THR 7 -7.156 -15.681 4.236 45 HG23 THR 7 HG23 THR 7 -6.734 -14.578 5.546 46 H THR 8 H THR 8 -4.675 -12.959 5.269 47 HA THR 8 HA THR 8 -6.921 -11.148 5.255 48 HB THR 8 HB THR 8 -5.993 -11.959 7.374 49 HG1 THR 8 HG1 THR 8 -5.238 -9.285 7.378 50 HG21 THR 8 HG21 THR 8 -3.614 -12.045 6.424 51 HG22 THR 8 HG22 THR 8 -3.776 -11.472 8.084 52 HG23 THR 8 HG23 THR 8 -3.530 -10.319 6.774 53 H CYS 9 H CYS 9 -7.016 -9.166 4.394 54 HA CYS 9 HA CYS 9 -4.850 -8.186 2.791 55 HB2 CYS 9 HB2 CYS 9 -7.408 -7.896 2.439 56 HB3 CYS 9 HB3 CYS 9 -7.252 -6.543 3.560 57 H CYS 10 H CYS 10 -4.757 -5.509 3.111 58 HA CYS 10 HA CYS 10 -3.134 -5.235 5.480 59 HB2 CYS 10 HB2 CYS 10 -2.533 -3.097 4.617 60 HB3 CYS 10 HB3 CYS 10 -2.658 -4.166 3.222 61 H PHE 11 H PHE 11 -3.426 -3.027 6.699 62 HA PHE 11 HA PHE 11 -5.893 -3.212 8.124 63 HB2 PHE 11 HB2 PHE 11 -3.756 -1.067 8.207 64 HB3 PHE 11 HB3 PHE 11 -5.048 -1.279 9.389 65 HD1 PHE 11 HD1 PHE 11 -1.964 -2.767 7.985 66 HD2 PHE 11 HD2 PHE 11 -4.987 -3.055 11.023 67 HE1 PHE 11 HE1 PHE 11 -0.587 -4.436 9.197 68 HE2 PHE 11 HE2 PHE 11 -3.610 -4.725 12.235 69 HZ PHE 11 HZ PHE 11 -1.410 -5.415 11.322 70 H ASN 12 H ASN 12 -7.173 -2.938 6.037 71 HA ASN 12 HA ASN 12 -8.496 -1.675 4.637 72 HB2 ASN 12 HB2 ASN 12 -8.448 0.152 7.050 73 HB3 ASN 12 HB3 ASN 12 -9.636 0.198 5.748 74 HD21 ASN 12 HD21 ASN 12 -10.002 -2.631 5.391 75 HD22 ASN 12 HD22 ASN 12 -10.738 -3.245 6.791 76 H LEU 13 H LEU 13 -7.833 1.392 5.912 77 HA LEU 13 HA LEU 13 -6.149 2.066 3.565 78 HB2 LEU 13 HB2 LEU 13 -7.712 4.023 5.245 79 HB3 LEU 13 HB3 LEU 13 -7.095 4.226 3.607 80 HG LEU 13 HG LEU 13 -9.297 2.323 4.452 81 HD11 LEU 13 HD11 LEU 13 -10.182 4.536 4.429 82 HD12 LEU 13 HD12 LEU 13 -10.620 3.844 2.867 83 HD13 LEU 13 HD13 LEU 13 -9.265 4.967 2.984 84 HD21 LEU 13 HD21 LEU 13 -9.521 2.133 1.891 85 HD22 LEU 13 HD22 LEU 13 -8.158 1.296 2.630 86 HD23 LEU 13 HD23 LEU 13 -7.906 2.838 1.815 87 H ALA 14 H ALA 14 -5.752 4.728 4.909 88 HA ALA 14 HA ALA 14 -3.911 4.058 7.100 89 HB1 ALA 14 HB1 ALA 14 -3.115 5.338 4.484 90 HB2 ALA 14 HB2 ALA 14 -2.385 3.949 5.288 91 HB3 ALA 14 HB3 ALA 14 -2.177 5.566 5.962 92 H ASN 15 H ASN 15 -3.584 5.743 8.529 93 HA ASN 15 HA ASN 15 -5.611 7.739 8.618 94 HB2 ASN 15 HB2 ASN 15 -3.079 7.404 10.241 95 HB3 ASN 15 HB3 ASN 15 -4.358 8.561 10.608 96 HD21 ASN 15 HD21 ASN 15 -3.352 5.301 11.052 97 HD22 ASN 15 HD22 ASN 15 -4.797 4.715 11.724 98 H ARG 16 H ARG 16 -2.422 8.848 9.366 99 HA ARG 16 HA ARG 16 -2.701 11.286 8.028 100 HB2 ARG 16 HB2 ARG 16 -0.053 9.977 8.641 101 HB3 ARG 16 HB3 ARG 16 -0.428 11.699 8.588 102 HG2 ARG 16 HG2 ARG 16 -2.089 11.250 10.481 103 HG3 ARG 16 HG3 ARG 16 -1.327 9.667 10.636 104 HD2 ARG 16 HD2 ARG 16 0.848 10.720 11.024 105 HD3 ARG 16 HD3 ARG 16 0.136 12.316 10.798 106 HE ARG 16 HE ARG 16 -1.273 10.977 12.843 107 HH11 ARG 16 HH21 ARG 16 1.826 12.342 12.134 108 HH12 ARG 16 HH22 ARG 16 2.178 12.750 13.781 109 HH21 ARG 16 HH11 ARG 16 -0.820 11.509 15.006 110 HH22 ARG 16 HH12 ARG 16 0.679 12.278 15.406 111 H LYS 17 H LYS 17 0.284 10.517 6.965 112 HA LYS 17 HA LYS 17 -0.554 9.449 4.353 113 HB2 LYS 17 HB2 LYS 17 0.518 11.235 3.136 114 HB3 LYS 17 HB3 LYS 17 -0.652 11.948 4.247 115 HG2 LYS 17 HG2 LYS 17 1.294 12.187 5.900 116 HG3 LYS 17 HG3 LYS 17 2.355 11.827 4.538 117 HD2 LYS 17 HD2 LYS 17 1.235 13.712 3.281 118 HD3 LYS 17 HD3 LYS 17 0.415 14.139 4.783 119 HE2 LYS 17 HE2 LYS 17 2.611 14.403 5.898 120 HE3 LYS 17 HE3 LYS 17 3.418 14.013 4.378 121 HZ1 LYS 17 HZ1 LYS 17 2.910 16.484 5.086 122 HZ2 LYS 17 HZ2 LYS 17 1.421 16.144 4.342 123 HZ3 LYS 17 HZ3 LYS 17 2.867 15.996 3.462 124 H ILE 18 H ILE 18 1.727 9.730 2.958 125 HA ILE 18 HA ILE 18 3.777 8.321 4.559 126 HB ILE 18 HB ILE 18 2.415 7.647 2.016 127 HG12 ILE 18 HG12 ILE 18 2.287 6.302 4.139 128 HG13 ILE 18 HG13 ILE 18 2.743 5.379 2.716 129 HG21 ILE 18 HG21 ILE 18 4.436 6.374 1.161 130 HG22 ILE 18 HG22 ILE 18 5.411 7.366 2.246 131 HG23 ILE 18 HG23 ILE 18 4.479 8.124 0.956 132 HD11 ILE 18 HD11 ILE 18 4.257 4.610 4.328 133 HD12 ILE 18 HD12 ILE 18 4.444 6.187 5.067 134 HD13 ILE 18 HD13 ILE 18 5.210 5.840 3.524 135 HA PRO 19 HA PRO 19 6.377 11.683 3.126 136 HB2 PRO 19 HB2 PRO 19 8.859 10.484 3.337 137 HB3 PRO 19 HB3 PRO 19 7.955 11.122 4.723 138 HG2 PRO 19 HG2 PRO 19 8.145 8.311 3.728 139 HG3 PRO 19 HG3 PRO 19 8.225 8.917 5.388 140 HD2 PRO 19 HD2 PRO 19 5.983 7.815 4.426 141 HD3 PRO 19 HD3 PRO 19 5.912 9.189 5.546 142 H LEU 20 H LEU 20 7.055 12.371 1.140 143 HA LEU 20 HA LEU 20 6.771 10.633 -1.100 144 HB2 LEU 20 HB2 LEU 20 7.448 13.517 -0.699 145 HB3 LEU 20 HB3 LEU 20 7.808 12.794 -2.266 146 HG LEU 20 HG LEU 20 5.470 12.034 -2.457 147 HD11 LEU 20 HD11 LEU 20 5.169 13.441 0.206 148 HD12 LEU 20 HD12 LEU 20 4.923 11.726 -0.121 149 HD13 LEU 20 HD13 LEU 20 3.814 12.920 -0.795 150 HD21 LEU 20 HD21 LEU 20 4.515 14.159 -2.959 151 HD22 LEU 20 HD22 LEU 20 6.254 14.371 -3.175 152 HD23 LEU 20 HD23 LEU 20 5.468 14.965 -1.712 153 H GLN 21 H GLN 21 9.519 11.606 0.804 154 HA GLN 21 HA GLN 21 11.539 11.163 -1.126 155 HB2 GLN 21 HB2 GLN 21 12.987 10.787 0.984 156 HB3 GLN 21 HB3 GLN 21 12.220 12.360 0.772 157 HG2 GLN 21 HG2 GLN 21 10.478 11.824 2.318 158 HG3 GLN 21 HG3 GLN 21 10.942 10.124 2.351 159 HE21 GLN 21 HE21 GLN 21 11.419 13.154 3.896 160 HE22 GLN 21 HE22 GLN 21 12.733 12.702 4.870 161 H ARG 22 H ARG 22 10.029 8.968 1.227 162 HA ARG 22 HA ARG 22 11.733 6.749 0.443 163 HB2 ARG 22 HB2 ARG 22 9.346 6.955 2.284 164 HB3 ARG 22 HB3 ARG 22 10.265 5.472 2.037 165 HG2 ARG 22 HG2 ARG 22 12.058 6.210 3.280 166 HG3 ARG 22 HG3 ARG 22 11.927 7.863 2.690 167 HD2 ARG 22 HD2 ARG 22 10.396 8.472 4.334 168 HD3 ARG 22 HD3 ARG 22 9.812 6.827 4.557 169 HE ARG 22 HE ARG 22 12.575 7.219 5.339 170 HH11 ARG 22 HH21 ARG 22 9.239 7.341 6.253 171 HH12 ARG 22 HH22 ARG 22 9.553 7.151 7.945 172 HH21 ARG 22 HH11 ARG 22 12.994 6.970 7.557 173 HH22 ARG 22 HH12 ARG 22 11.679 6.942 8.684 174 H LEU 23 H LEU 23 8.295 7.595 0.127 175 HA LEU 23 HA LEU 23 7.185 5.439 -1.061 176 HB2 LEU 23 HB2 LEU 23 5.739 7.227 -0.776 177 HB3 LEU 23 HB3 LEU 23 6.869 8.381 -1.436 178 HG LEU 23 HG LEU 23 4.813 7.980 -2.817 179 HD11 LEU 23 HD11 LEU 23 7.393 8.484 -3.671 180 HD12 LEU 23 HD12 LEU 23 5.943 8.625 -4.647 181 HD13 LEU 23 HD13 LEU 23 6.901 7.149 -4.712 182 HD21 LEU 23 HD21 LEU 23 5.311 5.281 -2.380 183 HD22 LEU 23 HD22 LEU 23 5.806 5.509 -4.053 184 HD23 LEU 23 HD23 LEU 23 4.187 5.950 -3.552 185 H GLU 24 H GLU 24 7.356 4.292 -2.905 186 HA GLU 24 HA GLU 24 9.356 5.168 -4.911 187 HB2 GLU 24 HB2 GLU 24 9.927 3.066 -3.849 188 HB3 GLU 24 HB3 GLU 24 8.326 2.417 -4.199 189 HG2 GLU 24 HG2 GLU 24 8.735 2.400 -6.549 190 HG3 GLU 24 HG3 GLU 24 10.180 3.394 -6.376 191 H SER 25 H SER 25 6.365 3.202 -4.795 192 HA SER 25 HA SER 25 5.202 4.720 -6.983 193 HB2 SER 25 HB2 SER 25 6.404 3.280 -8.396 194 HB3 SER 25 HB3 SER 25 6.198 1.902 -7.320 195 HG SER 25 HG SER 25 4.620 1.494 -8.677 196 H TYR 26 H TYR 26 2.991 3.785 -7.562 197 HA TYR 26 HA TYR 26 1.711 2.708 -5.109 198 HB2 TYR 26 HB2 TYR 26 -0.285 3.879 -5.717 199 HB3 TYR 26 HB3 TYR 26 1.045 5.027 -5.835 200 HD1 TYR 26 HD2 TYR 26 2.118 5.400 -8.145 201 HD2 TYR 26 HD1 TYR 26 -1.656 3.428 -7.588 202 HE1 TYR 26 HE2 TYR 26 1.554 5.818 -10.521 203 HE2 TYR 26 HE1 TYR 26 -2.222 3.845 -9.968 204 HH TYR 26 HH TYR 26 -1.523 4.658 -11.907 205 H ARG 27 H ARG 27 -0.504 1.669 -5.715 206 HA ARG 27 HA ARG 27 -0.749 0.290 -8.194 207 HB2 ARG 27 HB2 ARG 27 1.216 -0.909 -7.083 208 HB3 ARG 27 HB3 ARG 27 0.058 -1.471 -5.879 209 HG2 ARG 27 HG2 ARG 27 -1.280 -2.105 -8.206 210 HG3 ARG 27 HG3 ARG 27 0.391 -2.312 -8.720 211 HD2 ARG 27 HD2 ARG 27 0.660 -3.686 -6.529 212 HD3 ARG 27 HD3 ARG 27 -1.101 -3.742 -6.527 213 HE ARG 27 HE ARG 27 0.003 -4.520 -9.063 214 HH11 ARG 27 HH21 ARG 27 -0.674 -5.536 -5.826 215 HH12 ARG 27 HH22 ARG 27 -0.806 -7.215 -6.233 216 HH21 ARG 27 HH11 ARG 27 -0.168 -6.719 -9.605 217 HH22 ARG 27 HH12 ARG 27 -0.520 -7.884 -8.372 218 H ARG 28 H ARG 28 -2.738 -0.780 -8.349 219 HA ARG 28 HA ARG 28 -4.627 -0.128 -6.238 220 HB2 ARG 28 HB2 ARG 28 -4.788 -0.314 -9.024 221 HB3 ARG 28 HB3 ARG 28 -5.696 -1.717 -8.472 222 HG2 ARG 28 HG2 ARG 28 -6.961 -0.157 -6.916 223 HG3 ARG 28 HG3 ARG 28 -6.168 1.187 -7.735 224 HD2 ARG 28 HD2 ARG 28 -7.121 0.490 -9.875 225 HD3 ARG 28 HD3 ARG 28 -7.850 -0.922 -9.117 226 HE ARG 28 HE ARG 28 -8.880 1.142 -7.677 227 HH11 ARG 28 HH21 ARG 28 -8.588 0.447 -11.054 228 HH12 ARG 28 HH22 ARG 28 -10.031 1.300 -11.494 229 HH21 ARG 28 HH11 ARG 28 -10.772 2.262 -8.247 230 HH22 ARG 28 HH12 ARG 28 -11.267 2.327 -9.906 231 H ILE 29 H ILE 29 -6.035 -1.651 -5.238 232 HA ILE 29 HA ILE 29 -4.766 -4.287 -4.849 233 HB ILE 29 HB ILE 29 -7.013 -3.537 -3.046 234 HG12 ILE 29 HG12 ILE 29 -4.432 -1.934 -3.036 235 HG13 ILE 29 HG13 ILE 29 -6.033 -1.303 -3.413 236 HG21 ILE 29 HG21 ILE 29 -4.137 -4.339 -2.495 237 HG22 ILE 29 HG22 ILE 29 -5.463 -5.478 -2.724 238 HG23 ILE 29 HG23 ILE 29 -5.479 -4.374 -1.351 239 HD11 ILE 29 HD11 ILE 29 -5.151 -2.468 -0.757 240 HD12 ILE 29 HD12 ILE 29 -6.798 -1.971 -1.136 241 HD13 ILE 29 HD13 ILE 29 -5.504 -0.774 -1.097 242 H THR 30 H THR 30 -6.995 -3.048 -6.817 243 HA THR 30 HA THR 30 -9.289 -4.655 -6.483 244 HB THR 30 HB THR 30 -9.651 -4.179 -8.935 245 HG1 THR 30 HG1 THR 30 -7.323 -4.075 -9.324 246 HG21 THR 30 HG21 THR 30 -10.423 -2.660 -7.132 247 HG22 THR 30 HG22 THR 30 -9.971 -1.776 -8.590 248 HG23 THR 30 HG23 THR 30 -8.879 -1.812 -7.206 249 H SER 31 H SER 31 -8.010 -6.649 -5.865 250 HA SER 31 HA SER 31 -8.162 -8.550 -7.977 251 HB2 SER 31 HB2 SER 31 -5.418 -7.624 -7.123 252 HB3 SER 31 HB3 SER 31 -5.700 -9.197 -7.864 253 HG SER 31 HG SER 31 -5.317 -6.977 -9.114 254 H GLY 32 H GLY 32 -6.803 -7.732 -4.814 255 HA2 GLY 32 HA2 GLY 32 -6.778 -10.460 -3.882 256 HA3 GLY 32 HA3 GLY 32 -6.491 -9.020 -2.911 257 H LYS 33 H LYS 33 -8.174 -8.077 -1.796 258 HA LYS 33 HA LYS 33 -10.917 -8.578 -2.235 259 HB2 LYS 33 HB2 LYS 33 -11.284 -9.995 -0.154 260 HB3 LYS 33 HB3 LYS 33 -10.577 -10.830 -1.536 261 HG2 LYS 33 HG2 LYS 33 -8.391 -10.760 -0.591 262 HG3 LYS 33 HG3 LYS 33 -8.878 -9.586 0.633 263 HD2 LYS 33 HD2 LYS 33 -8.682 -11.903 1.546 264 HD3 LYS 33 HD3 LYS 33 -10.307 -11.240 1.712 265 HE2 LYS 33 HE2 LYS 33 -10.076 -13.657 0.801 266 HE3 LYS 33 HE3 LYS 33 -11.157 -12.555 -0.052 267 HZ1 LYS 33 HZ1 LYS 33 -8.375 -12.547 -0.898 268 HZ2 LYS 33 HZ2 LYS 33 -9.796 -12.442 -1.824 269 HZ3 LYS 33 HZ3 LYS 33 -9.256 -13.951 -1.260 270 H CYS 34 H CYS 34 -8.856 -6.552 -1.390 271 HA CYS 34 HA CYS 34 -9.478 -5.805 1.296 272 HB2 CYS 34 HB2 CYS 34 -7.639 -4.998 -0.729 273 HB3 CYS 34 HB3 CYS 34 -8.515 -3.554 -0.240 274 HA PRO 35 HA PRO 35 -13.135 -3.361 1.084 275 HB2 PRO 35 HB2 PRO 35 -11.543 -0.841 1.451 276 HB3 PRO 35 HB3 PRO 35 -12.959 -1.420 2.354 277 HG2 PRO 35 HG2 PRO 35 -10.529 -1.581 3.402 278 HG3 PRO 35 HG3 PRO 35 -11.705 -2.888 3.631 279 HD2 PRO 35 HD2 PRO 35 -9.312 -2.797 1.828 280 HD3 PRO 35 HD3 PRO 35 -10.008 -4.168 2.721 281 H GLN 36 H GLN 36 -13.778 -0.896 0.103 282 HA GLN 36 HA GLN 36 -14.098 -1.160 -2.590 283 HB2 GLN 36 HB2 GLN 36 -14.217 1.366 -2.669 284 HB3 GLN 36 HB3 GLN 36 -15.233 0.609 -1.441 285 HG2 GLN 36 HG2 GLN 36 -13.474 1.025 0.254 286 HG3 GLN 36 HG3 GLN 36 -12.493 1.823 -0.975 287 HE21 GLN 36 HE21 GLN 36 -14.590 2.516 1.512 288 HE22 GLN 36 HE22 GLN 36 -15.192 4.003 0.959 289 H LYS 37 H LYS 37 -13.064 -0.211 -4.452 290 HA LYS 37 HA LYS 37 -10.452 -0.821 -4.885 291 HB2 LYS 37 HB2 LYS 37 -11.654 1.674 -6.080 292 HB3 LYS 37 HB3 LYS 37 -10.512 0.549 -6.815 293 HG2 LYS 37 HG2 LYS 37 -12.327 -1.233 -6.581 294 HG3 LYS 37 HG3 LYS 37 -13.437 0.085 -6.201 295 HD2 LYS 37 HD2 LYS 37 -12.726 1.187 -8.363 296 HD3 LYS 37 HD3 LYS 37 -11.849 -0.293 -8.753 297 HE2 LYS 37 HE2 LYS 37 -14.829 0.017 -8.320 298 HE3 LYS 37 HE3 LYS 37 -14.005 -0.467 -9.802 299 HZ1 LYS 37 HZ1 LYS 37 -14.278 -1.988 -7.279 300 HZ2 LYS 37 HZ2 LYS 37 -13.117 -2.392 -8.452 301 HZ3 LYS 37 HZ3 LYS 37 -14.770 -2.441 -8.838 302 H ALA 38 H ALA 38 -8.495 -0.066 -4.316 303 HA ALA 38 HA ALA 38 -8.166 2.693 -3.412 304 HB1 ALA 38 HB1 ALA 38 -8.679 1.749 -1.306 305 HB2 ALA 38 HB2 ALA 38 -6.917 1.807 -1.352 306 HB3 ALA 38 HB3 ALA 38 -7.757 0.284 -1.649 307 H VAL 39 H VAL 39 -5.783 3.083 -2.845 308 HA VAL 39 HA VAL 39 -4.062 1.551 -4.720 309 HB VAL 39 HB VAL 39 -2.898 3.562 -5.254 310 HG11 VAL 39 HG11 VAL 39 -5.797 4.411 -5.133 311 HG12 VAL 39 HG12 VAL 39 -5.240 3.150 -6.234 312 HG13 VAL 39 HG13 VAL 39 -4.599 4.786 -6.371 313 HG21 VAL 39 HG21 VAL 39 -2.723 4.686 -3.163 314 HG22 VAL 39 HG22 VAL 39 -4.475 4.734 -2.955 315 HG23 VAL 39 HG23 VAL 39 -3.702 5.752 -4.172 316 H ILE 40 H ILE 40 -1.994 1.019 -4.052 317 HA ILE 40 HA ILE 40 -1.445 1.368 -1.159 318 HB ILE 40 HB ILE 40 -0.940 -0.911 -3.068 319 HG12 ILE 40 HG12 ILE 40 -1.992 -0.926 -0.234 320 HG13 ILE 40 HG13 ILE 40 -3.041 -0.700 -1.633 321 HG21 ILE 40 HG21 ILE 40 0.490 -0.330 -0.467 322 HG22 ILE 40 HG22 ILE 40 1.202 -0.714 -2.032 323 HG23 ILE 40 HG23 ILE 40 0.350 -1.959 -1.122 324 HD11 ILE 40 HD11 ILE 40 -2.908 -3.090 -0.910 325 HD12 ILE 40 HD12 ILE 40 -1.177 -3.060 -1.242 326 HD13 ILE 40 HD13 ILE 40 -2.330 -2.847 -2.558 327 H PHE 41 H PHE 41 0.121 2.818 -0.794 328 HA PHE 41 HA PHE 41 2.203 3.295 -2.807 329 HB2 PHE 41 HB2 PHE 41 1.764 4.619 -0.114 330 HB3 PHE 41 HB3 PHE 41 2.912 5.126 -1.349 331 HD1 PHE 41 HD2 PHE 41 1.911 5.592 -3.739 332 HD2 PHE 41 HD1 PHE 41 -0.389 5.536 -0.116 333 HE1 PHE 41 HE2 PHE 41 0.152 6.958 -4.837 334 HE2 PHE 41 HE1 PHE 41 -2.130 6.898 -1.205 335 HZ PHE 41 HZ PHE 41 -1.871 7.611 -3.566 336 H LYS 42 H LYS 42 4.010 2.112 -2.755 337 HA LYS 42 HA LYS 42 4.768 0.748 -0.247 338 HB2 LYS 42 HB2 LYS 42 6.080 -0.724 -1.617 339 HB3 LYS 42 HB3 LYS 42 4.500 -0.560 -2.383 340 HG2 LYS 42 HG2 LYS 42 5.613 1.378 -3.735 341 HG3 LYS 42 HG3 LYS 42 7.134 0.652 -3.217 342 HD2 LYS 42 HD2 LYS 42 4.935 -0.659 -4.838 343 HD3 LYS 42 HD3 LYS 42 6.581 -0.305 -5.360 344 HE2 LYS 42 HE2 LYS 42 7.338 -1.832 -3.428 345 HE3 LYS 42 HE3 LYS 42 5.660 -2.373 -3.360 346 HZ1 LYS 42 HZ1 LYS 42 6.625 -3.856 -4.819 347 HZ2 LYS 42 HZ2 LYS 42 7.621 -2.682 -5.537 348 HZ3 LYS 42 HZ3 LYS 42 5.957 -2.713 -5.877 349 H THR 43 H THR 43 6.898 0.837 0.533 350 HA THR 43 HA THR 43 8.746 2.789 -0.613 351 HB THR 43 HB THR 43 8.175 4.463 0.813 352 HG1 THR 43 HG1 THR 43 9.831 3.666 2.078 353 HG21 THR 43 HG21 THR 43 6.483 4.079 2.660 354 HG22 THR 43 HG22 THR 43 6.423 2.391 2.160 355 HG23 THR 43 HG23 THR 43 5.919 3.659 1.041 356 H LYS 44 H LYS 44 10.759 2.893 0.906 357 HA LYS 44 HA LYS 44 11.676 0.170 1.193 358 HB2 LYS 44 HB2 LYS 44 13.001 2.847 1.655 359 HB3 LYS 44 HB3 LYS 44 13.821 1.303 1.886 360 HG2 LYS 44 HG2 LYS 44 13.625 0.727 -0.409 361 HG3 LYS 44 HG3 LYS 44 12.419 1.980 -0.703 362 HD2 LYS 44 HD2 LYS 44 14.696 2.580 -1.564 363 HD3 LYS 44 HD3 LYS 44 14.074 3.727 -0.378 364 HE2 LYS 44 HE2 LYS 44 15.818 1.412 0.467 365 HE3 LYS 44 HE3 LYS 44 16.521 2.925 -0.104 366 HZ1 LYS 44 HZ1 LYS 44 15.270 2.335 2.397 367 HZ2 LYS 44 HZ2 LYS 44 14.601 3.710 1.659 368 HZ3 LYS 44 HZ3 LYS 44 16.269 3.636 1.970 369 H LEU 45 H LEU 45 9.598 1.453 3.067 370 HA LEU 45 HA LEU 45 10.779 1.682 5.627 371 HB2 LEU 45 HB2 LEU 45 8.064 1.569 4.497 372 HB3 LEU 45 HB3 LEU 45 8.151 0.813 6.080 373 HG LEU 45 HG LEU 45 7.568 3.162 6.313 374 HD11 LEU 45 HD11 LEU 45 9.457 1.911 7.801 375 HD12 LEU 45 HD12 LEU 45 8.900 3.549 8.125 376 HD13 LEU 45 HD13 LEU 45 10.398 3.295 7.235 377 HD21 LEU 45 HD21 LEU 45 9.951 3.571 4.528 378 HD22 LEU 45 HD22 LEU 45 9.530 4.823 5.691 379 HD23 LEU 45 HD23 LEU 45 8.360 4.327 4.474 380 H ALA 46 H ALA 46 8.396 -0.849 5.081 381 HA ALA 46 HA ALA 46 10.086 -3.089 5.197 382 HB1 ALA 46 HB1 ALA 46 9.528 -3.727 7.629 383 HB2 ALA 46 HB2 ALA 46 9.165 -2.016 7.861 384 HB3 ALA 46 HB3 ALA 46 10.786 -2.517 7.383 385 H LYS 47 H LYS 47 7.237 -1.659 4.727 386 HA LYS 47 HA LYS 47 5.846 -4.140 4.314 387 HB2 LYS 47 HB2 LYS 47 3.865 -3.238 5.812 388 HB3 LYS 47 HB3 LYS 47 5.184 -4.151 6.545 389 HG2 LYS 47 HG2 LYS 47 4.637 -2.073 7.810 390 HG3 LYS 47 HG3 LYS 47 6.299 -2.094 7.221 391 HD2 LYS 47 HD2 LYS 47 5.813 -0.570 5.465 392 HD3 LYS 47 HD3 LYS 47 4.072 -0.799 5.640 393 HE2 LYS 47 HE2 LYS 47 5.900 0.503 7.679 394 HE3 LYS 47 HE3 LYS 47 4.768 1.348 6.624 395 HZ1 LYS 47 HZ1 LYS 47 3.157 0.951 8.067 396 HZ2 LYS 47 HZ2 LYS 47 4.260 0.182 9.106 397 HZ3 LYS 47 HZ3 LYS 47 3.410 -0.722 7.946 398 H ASP 48 H ASP 48 3.405 -3.529 3.764 399 HA ASP 48 HA ASP 48 3.571 -1.360 1.774 400 HB2 ASP 48 HB2 ASP 48 1.356 -3.390 2.041 401 HB3 ASP 48 HB3 ASP 48 1.818 -2.448 0.623 402 H ILE 49 H ILE 49 1.954 0.213 1.589 403 HA ILE 49 HA ILE 49 0.238 0.603 3.986 404 HB ILE 49 HB ILE 49 1.577 2.753 2.323 405 HG12 ILE 49 HG12 ILE 49 2.686 2.992 4.807 406 HG13 ILE 49 HG13 ILE 49 2.442 1.251 4.775 407 HG21 ILE 49 HG21 ILE 49 -0.526 3.469 3.314 408 HG22 ILE 49 HG22 ILE 49 0.810 4.207 4.198 409 HG23 ILE 49 HG23 ILE 49 -0.044 2.824 4.884 410 HD11 ILE 49 HD11 ILE 49 3.896 2.831 2.632 411 HD12 ILE 49 HD12 ILE 49 3.721 1.077 2.696 412 HD13 ILE 49 HD13 ILE 49 4.679 1.912 3.918 413 H CYS 50 H CYS 50 -1.882 0.926 3.590 414 HA CYS 50 HA CYS 50 -2.767 1.046 0.773 415 HB2 CYS 50 HB2 CYS 50 -4.250 0.359 3.320 416 HB3 CYS 50 HB3 CYS 50 -4.968 0.374 1.710 417 H ALA 51 H ALA 51 -4.598 2.412 0.225 418 HA ALA 51 HA ALA 51 -5.494 4.492 1.937 419 HB1 ALA 51 HB1 ALA 51 -3.898 5.737 -0.241 420 HB2 ALA 51 HB2 ALA 51 -2.978 5.018 1.076 421 HB3 ALA 51 HB3 ALA 51 -4.161 6.275 1.417 422 H ASP 52 H ASP 52 -7.233 5.577 1.087 423 HA ASP 52 HA ASP 52 -8.278 4.546 -1.449 424 HB2 ASP 52 HB2 ASP 52 -9.759 4.419 0.461 425 HB3 ASP 52 HB3 ASP 52 -9.533 6.133 0.801 426 HA PRO 53 HA PRO 53 -7.272 8.415 -3.490 427 HB2 PRO 53 HB2 PRO 53 -9.018 8.328 -5.604 428 HB3 PRO 53 HB3 PRO 53 -7.548 7.336 -5.518 429 HG2 PRO 53 HG2 PRO 53 -10.369 6.590 -4.863 430 HG3 PRO 53 HG3 PRO 53 -9.145 5.680 -5.776 431 HD2 PRO 53 HD2 PRO 53 -9.686 5.115 -3.186 432 HD3 PRO 53 HD3 PRO 53 -8.045 4.960 -3.851 433 H LYS 54 H LYS 54 -8.295 9.339 -1.439 434 HA LYS 54 HA LYS 54 -10.416 11.179 -2.249 435 HB2 LYS 54 HB2 LYS 54 -11.325 9.025 -1.027 436 HB3 LYS 54 HB3 LYS 54 -10.695 9.804 0.417 437 HG2 LYS 54 HG2 LYS 54 -12.670 10.945 0.520 438 HG3 LYS 54 HG3 LYS 54 -12.109 11.878 -0.860 439 HD2 LYS 54 HD2 LYS 54 -13.667 9.277 -1.045 440 HD3 LYS 54 HD3 LYS 54 -14.367 10.885 -1.220 441 HE2 LYS 54 HE2 LYS 54 -12.594 11.234 -3.079 442 HE3 LYS 54 HE3 LYS 54 -12.417 9.478 -3.043 443 HZ1 LYS 54 HZ1 LYS 54 -14.824 11.067 -3.692 444 HZ2 LYS 54 HZ2 LYS 54 -14.923 9.424 -3.270 445 HZ3 LYS 54 HZ3 LYS 54 -14.044 9.899 -4.643 446 H LYS 55 H LYS 55 -8.119 10.128 0.234 447 HA LYS 55 HA LYS 55 -8.062 12.666 1.563 448 HB2 LYS 55 HB2 LYS 55 -5.634 11.077 1.960 449 HB3 LYS 55 HB3 LYS 55 -6.866 11.527 3.129 450 HG2 LYS 55 HG2 LYS 55 -8.321 9.677 2.166 451 HG3 LYS 55 HG3 LYS 55 -6.922 9.166 1.232 452 HD2 LYS 55 HD2 LYS 55 -6.709 7.807 3.118 453 HD3 LYS 55 HD3 LYS 55 -5.703 9.177 3.578 454 HE2 LYS 55 HE2 LYS 55 -7.249 8.494 5.398 455 HE3 LYS 55 HE3 LYS 55 -7.553 10.143 4.864 456 HZ1 LYS 55 HZ1 LYS 55 -9.582 9.599 4.175 457 HZ2 LYS 55 HZ2 LYS 55 -9.391 8.134 5.017 458 HZ3 LYS 55 HZ3 LYS 55 -9.035 8.218 3.358 459 H LYS 56 H LYS 56 -6.653 14.348 1.308 460 HA LYS 56 HA LYS 56 -5.801 15.074 -1.175 461 HB2 LYS 56 HB2 LYS 56 -5.952 16.491 0.932 462 HB3 LYS 56 HB3 LYS 56 -4.326 15.926 1.312 463 HG2 LYS 56 HG2 LYS 56 -3.681 16.710 -1.053 464 HG3 LYS 56 HG3 LYS 56 -5.224 17.566 -1.063 465 HD2 LYS 56 HD2 LYS 56 -3.081 17.902 1.057 466 HD3 LYS 56 HD3 LYS 56 -3.340 19.008 -0.293 467 HE2 LYS 56 HE2 LYS 56 -5.767 19.193 0.540 468 HE3 LYS 56 HE3 LYS 56 -5.194 18.422 2.020 469 HZ1 LYS 56 HZ1 LYS 56 -5.135 21.055 1.589 470 HZ2 LYS 56 HZ2 LYS 56 -3.576 20.627 1.065 471 HZ3 LYS 56 HZ3 LYS 56 -4.080 20.249 2.644 472 H TRP 57 H TRP 57 -3.527 13.824 1.330 473 HA TRP 57 HA TRP 57 -1.282 13.856 -0.314 474 HB2 TRP 57 HB2 TRP 57 -0.200 12.452 1.264 475 HB3 TRP 57 HB3 TRP 57 -1.306 13.475 2.173 476 HD1 TRP 57 HD1 TRP 57 -3.567 12.346 3.077 477 HE1 TRP 57 HE1 TRP 57 -4.095 9.897 3.675 478 HE3 TRP 57 HE3 TRP 57 0.264 9.980 0.644 479 HZ2 TRP 57 HZ2 TRP 57 -3.042 7.288 3.191 480 HZ3 TRP 57 HZ3 TRP 57 0.471 7.518 0.731 481 HH2 TRP 57 HH2 TRP 57 -1.173 6.167 2.002 482 H VAL 58 H VAL 58 -3.789 11.373 -0.074 483 HA VAL 58 HA VAL 58 -2.423 9.344 -1.471 484 HB VAL 58 HB VAL 58 -5.382 9.971 -1.337 485 HG11 VAL 58 HG11 VAL 58 -3.922 7.564 -2.452 486 HG12 VAL 58 HG12 VAL 58 -5.011 8.631 -3.320 487 HG13 VAL 58 HG13 VAL 58 -5.635 7.569 -2.060 488 HG21 VAL 58 HG21 VAL 58 -4.565 9.391 0.825 489 HG22 VAL 58 HG22 VAL 58 -3.519 8.136 0.179 490 HG23 VAL 58 HG23 VAL 58 -5.266 7.910 0.183 491 H GLN 59 H GLN 59 -4.720 11.785 -2.712 492 HA GLN 59 HA GLN 59 -4.323 11.078 -5.431 493 HB2 GLN 59 HB2 GLN 59 -5.162 13.863 -4.693 494 HB3 GLN 59 HB3 GLN 59 -5.804 12.785 -5.933 495 HG2 GLN 59 HG2 GLN 59 -6.539 11.325 -3.844 496 HG3 GLN 59 HG3 GLN 59 -6.389 12.848 -2.982 497 HE21 GLN 59 HE21 GLN 59 -8.390 11.035 -5.169 498 HE22 GLN 59 HE22 GLN 59 -9.567 12.235 -5.405 499 H ASP 60 H ASP 60 -2.720 13.351 -3.282 500 HA ASP 60 HA ASP 60 -1.243 14.667 -5.370 501 HB2 ASP 60 HB2 ASP 60 -1.846 15.647 -3.104 502 HB3 ASP 60 HB3 ASP 60 -0.569 14.637 -2.431 503 H SER 61 H SER 61 -0.746 11.839 -3.381 504 HA SER 61 HA SER 61 2.083 11.697 -3.653 505 HB2 SER 61 HB2 SER 61 1.685 9.242 -3.069 506 HB3 SER 61 HB3 SER 61 1.125 10.430 -1.898 507 HG SER 61 HG SER 61 -0.520 9.396 -3.956 508 H MET 62 H MET 62 -0.541 9.980 -5.398 509 HA MET 62 HA MET 62 1.267 8.714 -7.215 510 HB2 MET 62 HB2 MET 62 -0.855 8.275 -8.544 511 HB3 MET 62 HB3 MET 62 -0.842 7.653 -6.894 512 HG2 MET 62 HG2 MET 62 -2.194 9.448 -6.108 513 HG3 MET 62 HG3 MET 62 -1.991 10.353 -7.599 514 HE1 MET 62 HE1 MET 62 -4.142 8.284 -5.560 515 HE2 MET 62 HE2 MET 62 -3.245 6.895 -6.167 516 HE3 MET 62 HE3 MET 62 -4.945 7.087 -6.585 517 H LYS 63 H LYS 63 -0.541 11.729 -7.242 518 HA LYS 63 HA LYS 63 -0.236 12.365 -9.974 519 HB2 LYS 63 HB2 LYS 63 -1.792 13.611 -8.600 520 HB3 LYS 63 HB3 LYS 63 -0.495 14.133 -7.528 521 HG2 LYS 63 HG2 LYS 63 -1.200 15.892 -9.169 522 HG3 LYS 63 HG3 LYS 63 0.505 15.471 -9.295 523 HD2 LYS 63 HD2 LYS 63 0.184 14.244 -11.286 524 HD3 LYS 63 HD3 LYS 63 -1.552 14.080 -11.014 525 HE2 LYS 63 HE2 LYS 63 -0.150 16.711 -11.570 526 HE3 LYS 63 HE3 LYS 63 -0.989 15.753 -12.791 527 HZ1 LYS 63 HZ1 LYS 63 -2.960 15.874 -11.213 528 HZ2 LYS 63 HZ2 LYS 63 -2.559 17.289 -12.064 529 HZ3 LYS 63 HZ3 LYS 63 -2.122 17.124 -10.431 530 H TYR 64 H TYR 64 1.769 12.969 -7.134 531 HA TYR 64 HA TYR 64 3.758 14.519 -8.412 532 HB2 TYR 64 HB2 TYR 64 4.122 14.735 -6.167 533 HB3 TYR 64 HB3 TYR 64 3.331 13.205 -5.818 534 HD1 TYR 64 HD2 TYR 64 6.441 14.239 -7.670 535 HD2 TYR 64 HD1 TYR 64 4.706 11.731 -4.642 536 HE1 TYR 64 HE2 TYR 64 8.658 13.209 -7.251 537 HE2 TYR 64 HE1 TYR 64 6.922 10.709 -4.218 538 HH TYR 64 HH TYR 64 9.035 10.544 -4.926 539 H LEU 65 H LEU 65 3.218 11.065 -8.111 540 HA LEU 65 HA LEU 65 5.786 10.294 -9.134 541 HB2 LEU 65 HB2 LEU 65 3.192 8.867 -8.587 542 HB3 LEU 65 HB3 LEU 65 4.470 8.051 -9.486 543 HG LEU 65 HG LEU 65 5.176 9.424 -6.898 544 HD11 LEU 65 HD11 LEU 65 3.393 8.188 -6.030 545 HD12 LEU 65 HD12 LEU 65 4.740 7.064 -5.849 546 HD13 LEU 65 HD13 LEU 65 3.610 6.875 -7.185 547 HD21 LEU 65 HD21 LEU 65 6.168 6.760 -7.916 548 HD22 LEU 65 HD22 LEU 65 6.998 7.935 -6.897 549 HD23 LEU 65 HD23 LEU 65 6.785 8.257 -8.613 550 H ASP 66 H ASP 66 2.851 11.390 -10.499 551 HA ASP 66 HA ASP 66 3.012 10.129 -13.040 552 HB2 ASP 66 HB2 ASP 66 1.031 11.357 -11.933 553 HB3 ASP 66 HB3 ASP 66 1.771 12.831 -12.551 554 H GLN 67 H GLN 67 4.148 13.267 -11.815 555 HA GLN 67 HA GLN 67 5.070 14.381 -14.190 556 HB2 GLN 67 HB2 GLN 67 6.413 14.606 -11.487 557 HB3 GLN 67 HB3 GLN 67 6.524 15.753 -12.823 558 HG2 GLN 67 HG2 GLN 67 4.105 16.183 -12.669 559 HG3 GLN 67 HG3 GLN 67 3.978 15.026 -11.345 560 HE21 GLN 67 HE21 GLN 67 4.952 15.628 -9.262 561 HE22 GLN 67 HE22 GLN 67 5.346 17.244 -8.922 562 H LYS 68 H LYS 68 6.919 12.416 -11.852 563 HA LYS 68 HA LYS 68 9.171 12.192 -13.642 564 HB2 LYS 68 HB2 LYS 68 10.076 10.664 -11.906 565 HB3 LYS 68 HB3 LYS 68 9.567 12.216 -11.244 566 HG2 LYS 68 HG2 LYS 68 7.315 11.077 -10.744 567 HG3 LYS 68 HG3 LYS 68 8.144 9.558 -11.063 568 HD2 LYS 68 HD2 LYS 68 9.074 11.614 -9.038 569 HD3 LYS 68 HD3 LYS 68 8.127 10.181 -8.636 570 HE2 LYS 68 HE2 LYS 68 10.347 9.495 -8.243 571 HE3 LYS 68 HE3 LYS 68 10.007 8.857 -9.852 572 HZ1 LYS 68 HZ1 LYS 68 11.978 10.706 -9.078 573 HZ2 LYS 68 HZ2 LYS 68 10.916 11.470 -10.162 574 HZ3 LYS 68 HZ3 LYS 68 11.703 10.032 -10.610 575 H SER 69 H SER 69 10.066 9.786 -13.798 576 HA SER 69 HA SER 69 7.901 8.118 -14.973 577 HB2 SER 69 HB2 SER 69 10.777 8.474 -15.834 578 HB3 SER 69 HB3 SER 69 9.689 7.256 -16.491 579 HG SER 69 HG SER 69 8.484 8.809 -17.404 580 HA PRO 70 HA PRO 70 9.647 5.789 -11.340 581 HB2 PRO 70 HB2 PRO 70 7.074 4.341 -11.876 582 HB3 PRO 70 HB3 PRO 70 7.771 4.868 -10.329 583 HG2 PRO 70 HG2 PRO 70 5.741 6.185 -11.420 584 HG3 PRO 70 HG3 PRO 70 7.054 7.053 -10.603 585 HD2 PRO 70 HD2 PRO 70 6.539 6.755 -13.544 586 HD3 PRO 70 HD3 PRO 70 7.184 8.149 -12.651 587 H THR 71 H THR 71 11.301 4.587 -12.136 588 HA THR 71 HA THR 71 10.683 2.059 -13.448 589 HB THR 71 HB THR 71 12.340 2.478 -15.270 590 HG1 THR 71 HG1 THR 71 12.884 4.667 -15.635 591 HG21 THR 71 HG21 THR 71 10.146 4.552 -15.335 592 HG22 THR 71 HG22 THR 71 9.808 2.828 -15.478 593 HG23 THR 71 HG23 THR 71 10.814 3.632 -16.682 594 HA PRO 72 HA PRO 72 14.385 2.199 -10.573 595 HB2 PRO 72 HB2 PRO 72 13.376 0.755 -8.504 596 HB3 PRO 72 HB3 PRO 72 13.093 2.500 -8.662 597 HG2 PRO 72 HG2 PRO 72 11.288 0.225 -9.375 598 HG3 PRO 72 HG3 PRO 72 10.904 1.749 -8.553 599 HD2 PRO 72 HD2 PRO 72 10.435 1.332 -11.233 600 HD3 PRO 72 HD3 PRO 72 10.756 2.938 -10.543 601 H LYS 73 H LYS 73 12.832 -0.713 -9.528 602 HA LYS 73 HA LYS 73 13.521 -2.912 -9.709 603 HB2 LYS 73 HB2 LYS 73 12.092 -2.472 -11.759 604 HB3 LYS 73 HB3 LYS 73 13.596 -2.283 -12.662 605 HG2 LYS 73 HG2 LYS 73 14.290 -4.560 -11.831 606 HG3 LYS 73 HG3 LYS 73 12.671 -4.742 -11.153 607 HD2 LYS 73 HD2 LYS 73 11.657 -4.576 -13.332 608 HD3 LYS 73 HD3 LYS 73 13.193 -4.120 -14.071 609 HE2 LYS 73 HE2 LYS 73 14.130 -6.333 -13.438 610 HE3 LYS 73 HE3 LYS 73 12.561 -6.788 -12.776 611 HZ1 LYS 73 HZ1 LYS 73 13.135 -7.446 -15.178 612 HZ2 LYS 73 HZ2 LYS 73 12.786 -5.827 -15.552 613 HZ3 LYS 73 HZ3 LYS 73 11.594 -6.817 -14.855 614 HA PRO 74 HA PRO 74 17.974 -1.805 -10.591 615 HB2 PRO 74 HB2 PRO 74 18.946 -1.867 -8.060 616 HB3 PRO 74 HB3 PRO 74 18.138 -0.430 -8.720 617 HG2 PRO 74 HG2 PRO 74 17.051 -2.539 -6.904 618 HG3 PRO 74 HG3 PRO 74 16.828 -0.781 -6.845 619 HD2 PRO 74 HD2 PRO 74 14.963 -2.523 -7.915 620 HD3 PRO 74 HD3 PRO 74 15.108 -0.819 -8.398 621 H1 VAL 208 H1 VAL 208 -11.114 18.675 10.827 622 H2 VAL 208 H2 VAL 208 -9.867 17.874 9.994 623 H3 VAL 208 H3 VAL 208 -9.924 19.573 10.016 624 HA VAL 208 HA VAL 208 -8.230 18.683 11.530 625 HB VAL 208 HB VAL 208 -8.962 20.004 13.495 626 HG11 VAL 208 HG11 VAL 208 -8.152 21.104 11.383 627 HG12 VAL 208 HG12 VAL 208 -9.243 22.113 12.332 628 HG13 VAL 208 HG13 VAL 208 -9.835 21.288 10.890 629 HG21 VAL 208 HG21 VAL 208 -11.625 19.922 12.046 630 HG22 VAL 208 HG22 VAL 208 -11.262 21.050 13.352 631 HG23 VAL 208 HG23 VAL 208 -11.274 19.315 13.665 632 H GLU 209 H GLU 209 -10.265 16.513 11.042 633 HA GLU 209 HA GLU 209 -9.719 14.999 13.428 634 HB2 GLU 209 HB2 GLU 209 -12.066 14.555 14.020 635 HB3 GLU 209 HB3 GLU 209 -11.682 16.268 14.191 636 HG2 GLU 209 HG2 GLU 209 -12.608 16.641 11.886 637 HG3 GLU 209 HG3 GLU 209 -13.130 14.957 11.875 638 H THR 210 H THR 210 -9.986 15.211 10.238 639 HA THR 210 HA THR 210 -11.455 12.938 9.433 640 HB THR 210 HB THR 210 -10.169 13.101 7.340 641 HG1 THR 210 HG1 THR 210 -8.527 14.598 9.022 642 HG21 THR 210 HG21 THR 210 -12.036 14.667 7.758 643 HG22 THR 210 HG22 THR 210 -10.773 15.417 6.782 644 HG23 THR 210 HG23 THR 210 -10.907 15.804 8.497 645 H PHE 211 H PHE 211 -10.189 11.112 8.188 646 HA PHE 211 HA PHE 211 -8.789 9.619 10.193 647 HB2 PHE 211 HB2 PHE 211 -10.346 8.754 8.298 648 HB3 PHE 211 HB3 PHE 211 -8.915 8.861 7.275 649 HD1 PHE 211 HD2 PHE 211 -9.840 7.615 10.707 650 HD2 PHE 211 HD1 PHE 211 -7.615 6.918 7.094 651 HE1 PHE 211 HE2 PHE 211 -9.045 5.449 11.610 652 HE2 PHE 211 HE1 PHE 211 -6.823 4.754 8.001 653 HZ PHE 211 HZ PHE 211 -7.538 4.018 10.258 654 H GLY 212 H GLY 212 -7.160 11.515 10.308 655 HA2 GLY 212 HA2 GLY 212 -4.639 10.676 9.639 656 HA3 GLY 212 HA3 GLY 212 -5.143 11.654 8.265 657 H THR 213 H THR 213 -3.133 12.813 9.176 658 HA THR 213 HA THR 213 -4.080 15.118 10.694 659 HB THR 213 HB THR 213 -1.764 13.418 11.655 660 HG1 THR 213 HG1 THR 213 -3.183 12.640 12.967 661 HG21 THR 213 HG21 THR 213 -1.812 15.154 13.537 662 HG22 THR 213 HG22 THR 213 -2.794 16.143 12.457 663 HG23 THR 213 HG23 THR 213 -1.153 15.694 11.994 664 H THR 214 H THR 214 -0.748 14.017 10.243 665 HA THR 214 HA THR 214 -0.337 15.667 7.901 666 HB THR 214 HB THR 214 0.926 16.460 10.536 667 HG1 THR 214 HG1 THR 214 -0.805 17.627 10.607 668 HG21 THR 214 HG21 THR 214 2.567 16.804 8.855 669 HG22 THR 214 HG22 THR 214 1.783 18.371 9.048 670 HG23 THR 214 HG23 THR 214 1.365 17.339 7.680 671 H SER 215 H SER 215 2.148 15.168 10.319 672 HA SER 215 HA SER 215 3.931 13.909 8.572 673 HB2 SER 215 HB2 SER 215 3.933 13.456 11.551 674 HB3 SER 215 HB3 SER 215 5.310 13.525 10.455 675 HG SER 215 HG SER 215 5.353 15.574 10.874 676 H TYS 216 H TYS 216 4.870 11.646 9.888 677 HA TYS 216 HA TYS 216 2.856 9.699 10.362 678 HB2 TYS 216 HB2 TYS 216 2.489 10.009 7.934 679 HB3 TYS 216 HB1 TYS 216 4.174 9.582 7.640 680 HD1 TYS 216 HD1 TYS 216 4.610 7.358 7.072 681 HD2 TYS 216 HD2 TYS 216 1.218 8.250 9.556 682 HE1 TYS 216 HE1 TYS 216 3.985 4.954 7.095 683 HE2 TYS 216 HE2 TYS 216 0.604 5.852 9.581 684 H TYS 217 H TYS 217 6.017 10.783 10.186 685 HA TYS 217 HA TYS 217 6.990 8.406 11.560 686 HB2 TYS 217 HB2 TYS 217 8.002 9.296 8.866 687 HB3 TYS 217 HB1 TYS 217 9.113 8.547 10.008 688 HD1 TYS 217 HD1 TYS 217 7.996 6.367 11.239 689 HD2 TYS 217 HD2 TYS 217 7.021 7.840 7.317 690 HE1 TYS 217 HE1 TYS 217 7.149 4.129 10.607 691 HE2 TYS 217 HE2 TYS 217 6.184 5.592 6.686 692 H ASP 218 H ASP 218 6.718 10.316 13.106 693 HA ASP 218 HA ASP 218 8.244 12.605 13.124 694 HB2 ASP 218 HB2 ASP 218 6.599 11.979 14.879 695 HB3 ASP 218 HB3 ASP 218 7.754 10.806 15.509 696 H ASP 219 H ASP 219 9.237 9.659 14.875 697 HA ASP 219 HA ASP 219 12.027 10.486 14.757 698 HB2 ASP 219 HB2 ASP 219 10.951 7.881 15.831 699 HB3 ASP 219 HB3 ASP 219 12.454 8.697 16.256 700 H VAL 220 H VAL 220 12.924 10.228 12.789 701 HA VAL 220 HA VAL 220 12.231 8.206 10.933 702 HB VAL 220 HB VAL 220 14.895 9.617 11.010 703 HG11 VAL 220 HG11 VAL 220 14.810 9.379 8.638 704 HG12 VAL 220 HG12 VAL 220 13.096 8.962 8.668 705 HG13 VAL 220 HG13 VAL 220 14.292 7.821 9.282 706 HG21 VAL 220 HG21 VAL 220 13.290 11.360 11.426 707 HG22 VAL 220 HG22 VAL 220 12.170 10.693 10.237 708 HG23 VAL 220 HG23 VAL 220 13.682 11.432 9.708 709 H GLY 221 H GLY 221 14.284 8.218 13.698 710 HA2 GLY 221 HA2 GLY 221 16.060 6.121 12.950 711 HA3 GLY 221 HA3 GLY 221 15.722 6.653 14.595 712 H LEU 222 H LEU 222 12.803 6.036 13.219 713 HA LEU 222 HA LEU 222 12.182 3.829 14.809 714 HB2 LEU 222 HB2 LEU 222 10.563 5.406 13.661 715 HB3 LEU 222 HB3 LEU 222 10.865 4.509 12.176 716 HG LEU 222 HG LEU 222 10.259 2.398 13.627 717 HD11 LEU 222 HD11 LEU 222 8.502 2.986 15.340 718 HD12 LEU 222 HD12 LEU 222 9.017 4.666 15.215 719 HD13 LEU 222 HD13 LEU 222 10.138 3.442 15.808 720 HD21 LEU 222 HD21 LEU 222 8.266 4.456 12.645 721 HD22 LEU 222 HD22 LEU 222 7.801 2.831 13.148 722 HD23 LEU 222 HD23 LEU 222 8.880 3.053 11.771 723 H LEU 223 H LEU 223 13.016 3.938 11.347 724 HA LEU 223 HA LEU 223 12.780 1.290 10.672 725 HB2 LEU 223 HB2 LEU 223 13.614 3.379 9.303 726 HB3 LEU 223 HB3 LEU 223 15.213 2.819 9.775 727 HG LEU 223 HG LEU 223 14.682 1.859 7.620 728 HD11 LEU 223 HD11 LEU 223 14.219 -0.362 9.614 729 HD12 LEU 223 HD12 LEU 223 15.783 0.438 9.440 730 HD13 LEU 223 HD13 LEU 223 15.082 -0.434 8.078 731 HD21 LEU 223 HD21 LEU 223 12.671 0.899 7.020 732 HD22 LEU 223 HD22 LEU 223 12.068 2.000 8.252 733 HD23 LEU 223 HD23 LEU 223 12.330 0.301 8.641 Start of MODEL 4 1 H1 GLY 1 H1 GLY 1 -9.979 -18.314 -2.831 2 H2 GLY 1 H2 GLY 1 -8.975 -17.041 -3.337 3 H3 GLY 1 H3 GLY 1 -10.652 -16.806 -3.213 4 HA2 GLY 1 HA2 GLY 1 -10.579 -16.389 -1.038 5 HA3 GLY 1 HA3 GLY 1 -9.442 -17.711 -0.765 6 HA PRO 2 HA PRO 2 -6.098 -14.855 -0.556 7 HB2 PRO 2 HB2 PRO 2 -4.074 -16.027 -1.952 8 HB3 PRO 2 HB3 PRO 2 -4.700 -16.709 -0.435 9 HG2 PRO 2 HG2 PRO 2 -5.303 -17.506 -3.253 10 HG3 PRO 2 HG3 PRO 2 -4.990 -18.529 -1.838 11 HD2 PRO 2 HD2 PRO 2 -7.524 -18.001 -2.766 12 HD3 PRO 2 HD3 PRO 2 -7.171 -18.344 -1.057 13 H ALA 3 H ALA 3 -5.085 -13.103 -1.574 14 HA ALA 3 HA ALA 3 -4.889 -12.845 -4.417 15 HB1 ALA 3 HB1 ALA 3 -6.528 -11.018 -4.680 16 HB2 ALA 3 HB2 ALA 3 -7.059 -11.264 -3.016 17 HB3 ALA 3 HB3 ALA 3 -7.312 -12.529 -4.218 18 H SER 4 H SER 4 -3.044 -11.762 -4.585 19 HA SER 4 HA SER 4 -1.344 -10.270 -4.175 20 HB2 SER 4 HB2 SER 4 -3.764 -8.637 -3.416 21 HB3 SER 4 HB3 SER 4 -2.135 -7.968 -3.431 22 HG SER 4 HG SER 4 -2.260 -9.153 -5.677 23 H VAL 5 H VAL 5 -1.989 -12.171 -2.090 24 HA VAL 5 HA VAL 5 -1.853 -10.832 0.443 25 HB VAL 5 HB VAL 5 -1.105 -13.717 -0.001 26 HG11 VAL 5 HG11 VAL 5 -2.194 -13.957 2.203 27 HG12 VAL 5 HG12 VAL 5 -2.559 -12.232 2.208 28 HG13 VAL 5 HG13 VAL 5 -0.883 -12.779 2.265 29 HG21 VAL 5 HG21 VAL 5 -3.840 -12.425 -0.091 30 HG22 VAL 5 HG22 VAL 5 -3.612 -14.131 0.292 31 HG23 VAL 5 HG23 VAL 5 -3.115 -13.506 -1.281 32 HA PRO 6 HA PRO 6 2.807 -12.401 -0.059 33 HB2 PRO 6 HB2 PRO 6 3.122 -11.352 -2.849 34 HB3 PRO 6 HB3 PRO 6 3.854 -12.783 -2.094 35 HG2 PRO 6 HG2 PRO 6 1.862 -13.044 -3.822 36 HG3 PRO 6 HG3 PRO 6 1.942 -14.066 -2.373 37 HD2 PRO 6 HD2 PRO 6 0.200 -11.676 -2.899 38 HD3 PRO 6 HD3 PRO 6 -0.198 -13.193 -2.062 39 H THR 7 H THR 7 1.647 -9.576 -1.903 40 HA THR 7 HA THR 7 3.741 -7.830 -1.110 41 HB THR 7 HB THR 7 2.470 -7.260 -3.056 42 HG1 THR 7 HG1 THR 7 1.591 -5.189 -2.347 43 HG21 THR 7 HG21 THR 7 0.089 -7.431 -1.198 44 HG22 THR 7 HG22 THR 7 0.403 -8.399 -2.639 45 HG23 THR 7 HG23 THR 7 0.010 -6.687 -2.795 46 H THR 8 H THR 8 1.667 -9.328 0.842 47 HA THR 8 HA THR 8 0.776 -8.933 2.925 48 HB THR 8 HB THR 8 2.145 -7.601 4.410 49 HG1 THR 8 HG1 THR 8 3.739 -6.249 3.553 50 HG21 THR 8 HG21 THR 8 4.234 -8.708 4.112 51 HG22 THR 8 HG22 THR 8 4.019 -8.796 2.363 52 HG23 THR 8 HG23 THR 8 3.023 -9.790 3.425 53 H CYS 9 H CYS 9 -1.231 -8.145 2.125 54 HA CYS 9 HA CYS 9 -1.760 -5.479 1.405 55 HB2 CYS 9 HB2 CYS 9 -3.255 -7.548 1.126 56 HB3 CYS 9 HB3 CYS 9 -3.747 -7.272 2.797 57 H CYS 10 H CYS 10 -2.407 -3.692 2.556 58 HA CYS 10 HA CYS 10 -1.555 -3.547 5.292 59 HB2 CYS 10 HB2 CYS 10 -3.159 -1.247 4.553 60 HB3 CYS 10 HB3 CYS 10 -1.416 -1.335 4.792 61 H PHE 11 H PHE 11 -2.761 -3.503 7.144 62 HA PHE 11 HA PHE 11 -5.112 -4.904 7.381 63 HB2 PHE 11 HB2 PHE 11 -4.142 -2.590 9.076 64 HB3 PHE 11 HB3 PHE 11 -5.451 -3.679 9.536 65 HD1 PHE 11 HD1 PHE 11 -5.014 -6.039 10.054 66 HD2 PHE 11 HD2 PHE 11 -1.827 -3.347 9.025 67 HE1 PHE 11 HE1 PHE 11 -3.356 -7.678 10.902 68 HE2 PHE 11 HE2 PHE 11 -0.170 -4.986 9.873 69 HZ PHE 11 HZ PHE 11 -0.934 -7.151 10.812 70 H ASN 12 H ASN 12 -4.643 -1.608 6.392 71 HA ASN 12 HA ASN 12 -7.042 -1.305 5.070 72 HB2 ASN 12 HB2 ASN 12 -8.085 0.373 6.867 73 HB3 ASN 12 HB3 ASN 12 -8.458 -1.348 6.896 74 HD21 ASN 12 HD21 ASN 12 -5.628 0.587 8.050 75 HD22 ASN 12 HD22 ASN 12 -5.640 -0.075 9.613 76 H LEU 13 H LEU 13 -7.678 1.239 5.159 77 HA LEU 13 HA LEU 13 -5.575 2.569 3.889 78 HB2 LEU 13 HB2 LEU 13 -7.771 4.089 5.273 79 HB3 LEU 13 HB3 LEU 13 -7.019 4.398 3.710 80 HG LEU 13 HG LEU 13 -8.921 2.132 4.391 81 HD11 LEU 13 HD11 LEU 13 -9.134 4.499 2.505 82 HD12 LEU 13 HD12 LEU 13 -9.987 4.320 4.038 83 HD13 LEU 13 HD13 LEU 13 -10.347 3.233 2.697 84 HD21 LEU 13 HD21 LEU 13 -8.721 1.592 1.945 85 HD22 LEU 13 HD22 LEU 13 -7.231 1.298 2.832 86 HD23 LEU 13 HD23 LEU 13 -7.391 2.743 1.835 87 H ALA 14 H ALA 14 -4.114 4.135 4.531 88 HA ALA 14 HA ALA 14 -3.022 3.951 7.107 89 HB1 ALA 14 HB1 ALA 14 -1.942 4.841 4.942 90 HB2 ALA 14 HB2 ALA 14 -1.523 5.653 6.452 91 HB3 ALA 14 HB3 ALA 14 -2.697 6.382 5.354 92 H ASN 15 H ASN 15 -2.630 6.773 7.697 93 HA ASN 15 HA ASN 15 -5.061 8.137 8.113 94 HB2 ASN 15 HB2 ASN 15 -5.153 7.719 10.652 95 HB3 ASN 15 HB3 ASN 15 -5.794 6.460 9.601 96 HD21 ASN 15 HD21 ASN 15 -4.226 6.559 12.372 97 HD22 ASN 15 HD22 ASN 15 -3.097 5.305 12.179 98 H ARG 16 H ARG 16 -1.969 8.252 7.753 99 HA ARG 16 HA ARG 16 -1.658 10.743 9.230 100 HB2 ARG 16 HB2 ARG 16 0.100 8.338 9.752 101 HB3 ARG 16 HB3 ARG 16 0.528 9.984 10.217 102 HG2 ARG 16 HG2 ARG 16 -1.728 10.055 11.448 103 HG3 ARG 16 HG3 ARG 16 -1.781 8.307 11.218 104 HD2 ARG 16 HD2 ARG 16 -0.798 8.754 13.384 105 HD3 ARG 16 HD3 ARG 16 0.467 8.152 12.316 106 HE ARG 16 HE ARG 16 0.430 10.968 12.169 107 HH11 ARG 16 HH21 ARG 16 1.123 8.384 14.363 108 HH12 ARG 16 HH22 ARG 16 2.312 9.276 15.254 109 HH21 ARG 16 HH11 ARG 16 1.987 12.144 13.332 110 HH22 ARG 16 HH12 ARG 16 2.801 11.404 14.671 111 H LYS 17 H LYS 17 -1.710 9.782 6.403 112 HA LYS 17 HA LYS 17 -0.596 10.173 4.429 113 HB2 LYS 17 HB2 LYS 17 -0.656 12.475 5.147 114 HB3 LYS 17 HB3 LYS 17 0.726 12.232 6.212 115 HG2 LYS 17 HG2 LYS 17 2.227 11.971 4.389 116 HG3 LYS 17 HG3 LYS 17 0.911 11.742 3.237 117 HD2 LYS 17 HD2 LYS 17 0.195 14.072 3.571 118 HD3 LYS 17 HD3 LYS 17 1.486 14.308 4.748 119 HE2 LYS 17 HE2 LYS 17 2.110 15.167 2.500 120 HE3 LYS 17 HE3 LYS 17 3.174 13.863 3.030 121 HZ1 LYS 17 HZ1 LYS 17 1.778 12.315 1.748 122 HZ2 LYS 17 HZ2 LYS 17 2.523 13.488 0.770 123 HZ3 LYS 17 HZ3 LYS 17 0.876 13.628 1.165 124 H ILE 18 H ILE 18 1.526 10.058 3.323 125 HA ILE 18 HA ILE 18 3.542 8.548 4.873 126 HB ILE 18 HB ILE 18 2.215 7.951 2.247 127 HG12 ILE 18 HG12 ILE 18 1.716 6.868 4.573 128 HG13 ILE 18 HG13 ILE 18 1.828 5.831 3.157 129 HG21 ILE 18 HG21 ILE 18 5.042 7.134 2.953 130 HG22 ILE 18 HG22 ILE 18 4.490 7.968 1.506 131 HG23 ILE 18 HG23 ILE 18 4.060 6.281 1.769 132 HD11 ILE 18 HD11 ILE 18 3.082 5.025 5.224 133 HD12 ILE 18 HD12 ILE 18 4.202 6.356 4.965 134 HD13 ILE 18 HD13 ILE 18 4.028 5.101 3.742 135 HA PRO 19 HA PRO 19 6.172 11.826 3.262 136 HB2 PRO 19 HB2 PRO 19 8.637 10.577 3.479 137 HB3 PRO 19 HB3 PRO 19 7.789 11.342 4.837 138 HG2 PRO 19 HG2 PRO 19 7.870 8.461 4.046 139 HG3 PRO 19 HG3 PRO 19 8.014 9.183 5.654 140 HD2 PRO 19 HD2 PRO 19 5.723 8.087 4.869 141 HD3 PRO 19 HD3 PRO 19 5.715 9.571 5.839 142 H LEU 20 H LEU 20 6.816 12.409 1.245 143 HA LEU 20 HA LEU 20 6.477 10.581 -0.920 144 HB2 LEU 20 HB2 LEU 20 7.189 13.470 -0.627 145 HB3 LEU 20 HB3 LEU 20 7.557 12.693 -2.165 146 HG LEU 20 HG LEU 20 5.207 11.946 -2.342 147 HD11 LEU 20 HD11 LEU 20 4.665 11.782 0.029 148 HD12 LEU 20 HD12 LEU 20 3.542 12.892 -0.757 149 HD13 LEU 20 HD13 LEU 20 4.868 13.525 0.221 150 HD21 LEU 20 HD21 LEU 20 5.289 14.911 -1.744 151 HD22 LEU 20 HD22 LEU 20 4.288 14.076 -2.933 152 HD23 LEU 20 HD23 LEU 20 6.028 14.213 -3.186 153 H GLN 21 H GLN 21 9.267 11.754 0.846 154 HA GLN 21 HA GLN 21 11.274 11.169 -1.025 155 HB2 GLN 21 HB2 GLN 21 12.728 10.908 1.089 156 HB3 GLN 21 HB3 GLN 21 11.938 12.461 0.820 157 HG2 GLN 21 HG2 GLN 21 10.189 11.933 2.382 158 HG3 GLN 21 HG3 GLN 21 10.736 10.261 2.513 159 HE21 GLN 21 HE21 GLN 21 11.551 13.611 3.400 160 HE22 GLN 21 HE22 GLN 21 12.682 13.191 4.595 161 H ARG 22 H ARG 22 9.765 9.075 1.422 162 HA ARG 22 HA ARG 22 11.499 6.844 0.756 163 HB2 ARG 22 HB2 ARG 22 9.117 7.153 2.584 164 HB3 ARG 22 HB3 ARG 22 9.957 5.621 2.356 165 HG2 ARG 22 HG2 ARG 22 11.792 6.286 3.576 166 HG3 ARG 22 HG3 ARG 22 11.748 7.930 2.947 167 HD2 ARG 22 HD2 ARG 22 10.200 8.643 4.549 168 HD3 ARG 22 HD3 ARG 22 9.623 7.011 4.872 169 HE ARG 22 HE ARG 22 12.163 6.832 5.716 170 HH11 ARG 22 HH21 ARG 22 9.743 9.263 6.182 171 HH12 ARG 22 HH22 ARG 22 10.331 9.745 7.738 172 HH21 ARG 22 HH11 ARG 22 12.937 7.459 7.755 173 HH22 ARG 22 HH12 ARG 22 12.139 8.724 8.629 174 H LEU 23 H LEU 23 8.066 7.654 0.328 175 HA LEU 23 HA LEU 23 7.049 5.394 -0.785 176 HB2 LEU 23 HB2 LEU 23 5.502 7.109 -0.556 177 HB3 LEU 23 HB3 LEU 23 6.585 8.312 -1.211 178 HG LEU 23 HG LEU 23 4.581 7.797 -2.624 179 HD11 LEU 23 HD11 LEU 23 7.178 8.375 -3.433 180 HD12 LEU 23 HD12 LEU 23 5.731 8.501 -4.416 181 HD13 LEU 23 HD13 LEU 23 6.713 7.042 -4.488 182 HD21 LEU 23 HD21 LEU 23 5.277 5.108 -2.168 183 HD22 LEU 23 HD22 LEU 23 5.645 5.385 -3.865 184 HD23 LEU 23 HD23 LEU 23 4.040 5.716 -3.252 185 H GLU 24 H GLU 24 7.210 4.264 -2.676 186 HA GLU 24 HA GLU 24 9.261 5.164 -4.616 187 HB2 GLU 24 HB2 GLU 24 9.844 3.064 -3.603 188 HB3 GLU 24 HB3 GLU 24 8.233 2.416 -3.892 189 HG2 GLU 24 HG2 GLU 24 9.994 1.624 -5.525 190 HG3 GLU 24 HG3 GLU 24 8.587 2.372 -6.275 191 H SER 25 H SER 25 6.321 3.121 -4.679 192 HA SER 25 HA SER 25 5.229 4.688 -6.892 193 HB2 SER 25 HB2 SER 25 6.772 2.875 -7.843 194 HB3 SER 25 HB3 SER 25 5.584 1.716 -7.254 195 HG SER 25 HG SER 25 5.191 2.368 -9.422 196 H TYR 26 H TYR 26 3.056 3.607 -7.605 197 HA TYR 26 HA TYR 26 1.653 2.662 -5.166 198 HB2 TYR 26 HB2 TYR 26 -0.284 3.877 -5.832 199 HB3 TYR 26 HB3 TYR 26 1.075 4.989 -5.969 200 HD1 TYR 26 HD2 TYR 26 2.113 5.404 -8.232 201 HD2 TYR 26 HD1 TYR 26 -1.577 3.267 -7.735 202 HE1 TYR 26 HE2 TYR 26 1.586 5.775 -10.622 203 HE2 TYR 26 HE1 TYR 26 -2.106 3.627 -10.132 204 HH TYR 26 HH TYR 26 0.218 5.187 -12.313 205 H ARG 27 H ARG 27 -0.293 1.365 -5.570 206 HA ARG 27 HA ARG 27 -0.580 0.041 -8.119 207 HB2 ARG 27 HB2 ARG 27 1.414 -1.015 -6.694 208 HB3 ARG 27 HB3 ARG 27 0.095 -1.831 -5.865 209 HG2 ARG 27 HG2 ARG 27 0.503 -1.868 -8.876 210 HG3 ARG 27 HG3 ARG 27 1.039 -3.143 -7.788 211 HD2 ARG 27 HD2 ARG 27 -1.445 -3.172 -6.983 212 HD3 ARG 27 HD3 ARG 27 -1.769 -2.329 -8.495 213 HE ARG 27 HE ARG 27 -1.010 -5.107 -8.191 214 HH11 ARG 27 HH21 ARG 27 -1.115 -2.325 -10.246 215 HH12 ARG 27 HH22 ARG 27 -1.077 -3.239 -11.717 216 HH21 ARG 27 HH11 ARG 27 -0.962 -6.312 -10.115 217 HH22 ARG 27 HH12 ARG 27 -0.991 -5.497 -11.643 218 H ARG 28 H ARG 28 -2.680 -0.478 -8.354 219 HA ARG 28 HA ARG 28 -4.500 -0.069 -6.177 220 HB2 ARG 28 HB2 ARG 28 -4.706 0.187 -8.884 221 HB3 ARG 28 HB3 ARG 28 -5.523 -1.357 -8.655 222 HG2 ARG 28 HG2 ARG 28 -6.932 -0.253 -6.871 223 HG3 ARG 28 HG3 ARG 28 -6.200 1.285 -7.325 224 HD2 ARG 28 HD2 ARG 28 -7.600 -0.507 -9.320 225 HD3 ARG 28 HD3 ARG 28 -8.432 0.768 -8.435 226 HE ARG 28 HE ARG 28 -6.658 1.120 -10.663 227 HH11 ARG 28 HH21 ARG 28 -7.797 2.489 -7.695 228 HH12 ARG 28 HH22 ARG 28 -7.475 4.124 -8.166 229 HH21 ARG 28 HH11 ARG 28 -6.234 3.262 -11.287 230 HH22 ARG 28 HH12 ARG 28 -6.591 4.562 -10.200 231 H ILE 29 H ILE 29 -6.015 -1.576 -5.330 232 HA ILE 29 HA ILE 29 -4.980 -4.343 -5.263 233 HB ILE 29 HB ILE 29 -7.038 -3.836 -3.249 234 HG12 ILE 29 HG12 ILE 29 -4.668 -1.937 -3.197 235 HG13 ILE 29 HG13 ILE 29 -6.320 -1.460 -3.563 236 HG21 ILE 29 HG21 ILE 29 -5.148 -4.446 -1.725 237 HG22 ILE 29 HG22 ILE 29 -4.062 -4.415 -3.110 238 HG23 ILE 29 HG23 ILE 29 -5.372 -5.593 -3.045 239 HD11 ILE 29 HD11 ILE 29 -7.068 -1.860 -1.376 240 HD12 ILE 29 HD12 ILE 29 -5.472 -1.152 -1.125 241 HD13 ILE 29 HD13 ILE 29 -5.695 -2.893 -0.984 242 H THR 30 H THR 30 -8.122 -2.642 -5.151 243 HA THR 30 HA THR 30 -10.188 -3.224 -5.967 244 HB THR 30 HB THR 30 -10.262 -4.019 -8.207 245 HG1 THR 30 HG1 THR 30 -8.095 -4.865 -9.001 246 HG21 THR 30 HG21 THR 30 -7.575 -2.654 -7.919 247 HG22 THR 30 HG22 THR 30 -9.119 -1.807 -7.813 248 HG23 THR 30 HG23 THR 30 -8.652 -2.606 -9.314 249 H SER 31 H SER 31 -10.921 -5.613 -7.374 250 HA SER 31 HA SER 31 -11.804 -7.265 -5.380 251 HB2 SER 31 HB2 SER 31 -12.484 -7.404 -7.773 252 HB3 SER 31 HB3 SER 31 -10.952 -8.195 -8.131 253 HG SER 31 HG SER 31 -11.613 -9.733 -6.435 254 H GLY 32 H GLY 32 -11.087 -9.086 -4.322 255 HA2 GLY 32 HA2 GLY 32 -9.063 -10.799 -4.697 256 HA3 GLY 32 HA3 GLY 32 -8.195 -9.382 -4.113 257 H LYS 33 H LYS 33 -8.852 -8.494 -2.016 258 HA LYS 33 HA LYS 33 -10.555 -9.891 -0.231 259 HB2 LYS 33 HB2 LYS 33 -8.834 -11.629 -0.348 260 HB3 LYS 33 HB3 LYS 33 -7.592 -10.446 0.067 261 HG2 LYS 33 HG2 LYS 33 -8.475 -10.132 2.256 262 HG3 LYS 33 HG3 LYS 33 -9.980 -10.958 1.849 263 HD2 LYS 33 HD2 LYS 33 -8.685 -13.065 1.504 264 HD3 LYS 33 HD3 LYS 33 -7.230 -12.222 2.041 265 HE2 LYS 33 HE2 LYS 33 -8.345 -11.721 4.205 266 HE3 LYS 33 HE3 LYS 33 -9.754 -12.636 3.669 267 HZ1 LYS 33 HZ1 LYS 33 -7.011 -13.754 3.858 268 HZ2 LYS 33 HZ2 LYS 33 -8.441 -14.608 3.522 269 HZ3 LYS 33 HZ3 LYS 33 -8.195 -13.930 5.060 270 H CYS 34 H CYS 34 -8.286 -7.502 -1.045 271 HA CYS 34 HA CYS 34 -8.029 -6.312 1.559 272 HB2 CYS 34 HB2 CYS 34 -7.385 -5.263 -1.201 273 HB3 CYS 34 HB3 CYS 34 -6.949 -4.456 0.303 274 HA PRO 35 HA PRO 35 -11.744 -3.905 1.941 275 HB2 PRO 35 HB2 PRO 35 -9.927 -1.508 2.011 276 HB3 PRO 35 HB3 PRO 35 -11.293 -1.914 3.072 277 HG2 PRO 35 HG2 PRO 35 -8.786 -2.300 3.864 278 HG3 PRO 35 HG3 PRO 35 -10.068 -3.449 4.284 279 HD2 PRO 35 HD2 PRO 35 -7.839 -3.763 2.330 280 HD3 PRO 35 HD3 PRO 35 -8.731 -5.001 3.241 281 H GLN 36 H GLN 36 -12.800 -1.852 0.971 282 HA GLN 36 HA GLN 36 -13.342 -2.027 -1.650 283 HB2 GLN 36 HB2 GLN 36 -13.689 0.515 -1.601 284 HB3 GLN 36 HB3 GLN 36 -14.547 -0.432 -0.384 285 HG2 GLN 36 HG2 GLN 36 -12.831 0.065 1.276 286 HG3 GLN 36 HG3 GLN 36 -11.871 0.919 0.069 287 HE21 GLN 36 HE21 GLN 36 -13.110 2.839 -1.018 288 HE22 GLN 36 HE22 GLN 36 -14.110 3.761 -0.003 289 H LYS 37 H LYS 37 -12.697 -0.893 -3.581 290 HA LYS 37 HA LYS 37 -10.091 -1.173 -4.354 291 HB2 LYS 37 HB2 LYS 37 -11.777 1.113 -5.368 292 HB3 LYS 37 HB3 LYS 37 -10.591 0.152 -6.251 293 HG2 LYS 37 HG2 LYS 37 -12.094 -1.866 -5.799 294 HG3 LYS 37 HG3 LYS 37 -13.319 -0.711 -5.273 295 HD2 LYS 37 HD2 LYS 37 -13.302 0.376 -7.447 296 HD3 LYS 37 HD3 LYS 37 -11.960 -0.636 -7.983 297 HE2 LYS 37 HE2 LYS 37 -13.306 -2.601 -7.978 298 HE3 LYS 37 HE3 LYS 37 -14.591 -1.808 -7.067 299 HZ1 LYS 37 HZ1 LYS 37 -14.942 -0.325 -8.958 300 HZ2 LYS 37 HZ2 LYS 37 -15.175 -1.952 -9.388 301 HZ3 LYS 37 HZ3 LYS 37 -13.747 -1.148 -9.836 302 H ALA 38 H ALA 38 -8.229 0.010 -4.310 303 HA ALA 38 HA ALA 38 -8.110 2.747 -3.521 304 HB1 ALA 38 HB1 ALA 38 -6.707 2.137 -1.395 305 HB2 ALA 38 HB2 ALA 38 -7.608 0.623 -1.462 306 HB3 ALA 38 HB3 ALA 38 -8.468 2.154 -1.294 307 H VAL 39 H VAL 39 -5.791 3.456 -3.219 308 HA VAL 39 HA VAL 39 -4.034 1.846 -4.976 309 HB VAL 39 HB VAL 39 -2.939 3.868 -5.594 310 HG11 VAL 39 HG11 VAL 39 -5.856 4.634 -5.388 311 HG12 VAL 39 HG12 VAL 39 -5.290 3.381 -6.493 312 HG13 VAL 39 HG13 VAL 39 -4.711 5.037 -6.668 313 HG21 VAL 39 HG21 VAL 39 -3.791 6.066 -4.530 314 HG22 VAL 39 HG22 VAL 39 -2.707 5.069 -3.563 315 HG23 VAL 39 HG23 VAL 39 -4.443 5.042 -3.251 316 H ILE 40 H ILE 40 -2.419 0.811 -4.061 317 HA ILE 40 HA ILE 40 -1.662 1.406 -1.299 318 HB ILE 40 HB ILE 40 -1.146 -0.883 -3.195 319 HG12 ILE 40 HG12 ILE 40 -2.345 -0.866 -0.422 320 HG13 ILE 40 HG13 ILE 40 -3.311 -0.621 -1.876 321 HG21 ILE 40 HG21 ILE 40 0.942 -0.698 -2.033 322 HG22 ILE 40 HG22 ILE 40 0.027 -1.963 -1.219 323 HG23 ILE 40 HG23 ILE 40 0.134 -0.355 -0.504 324 HD11 ILE 40 HD11 ILE 40 -2.424 -2.792 -2.762 325 HD12 ILE 40 HD12 ILE 40 -3.375 -2.980 -1.290 326 HD13 ILE 40 HD13 ILE 40 -1.616 -3.046 -1.217 327 H PHE 41 H PHE 41 -0.070 2.823 -0.936 328 HA PHE 41 HA PHE 41 1.994 3.310 -2.951 329 HB2 PHE 41 HB2 PHE 41 1.553 4.553 -0.222 330 HB3 PHE 41 HB3 PHE 41 2.762 5.065 -1.398 331 HD1 PHE 41 HD2 PHE 41 1.819 5.563 -3.836 332 HD2 PHE 41 HD1 PHE 41 -0.528 5.606 -0.244 333 HE1 PHE 41 HE2 PHE 41 0.146 7.012 -4.950 334 HE2 PHE 41 HE1 PHE 41 -2.187 7.052 -1.349 335 HZ PHE 41 HZ PHE 41 -1.860 7.760 -3.707 336 H LYS 42 H LYS 42 3.797 2.116 -2.982 337 HA LYS 42 HA LYS 42 4.599 0.643 -0.556 338 HB2 LYS 42 HB2 LYS 42 6.216 -0.443 -2.268 339 HB3 LYS 42 HB3 LYS 42 4.501 -0.835 -2.373 340 HG2 LYS 42 HG2 LYS 42 4.162 0.607 -4.223 341 HG3 LYS 42 HG3 LYS 42 5.692 1.441 -3.961 342 HD2 LYS 42 HD2 LYS 42 5.771 -0.171 -5.874 343 HD3 LYS 42 HD3 LYS 42 6.942 -0.543 -4.609 344 HE2 LYS 42 HE2 LYS 42 5.634 -2.338 -3.772 345 HE3 LYS 42 HE3 LYS 42 4.200 -1.809 -4.652 346 HZ1 LYS 42 HZ1 LYS 42 5.330 -3.718 -5.689 347 HZ2 LYS 42 HZ2 LYS 42 6.707 -2.752 -5.933 348 HZ3 LYS 42 HZ3 LYS 42 5.247 -2.370 -6.715 349 H THR 43 H THR 43 6.196 1.366 0.669 350 HA THR 43 HA THR 43 8.115 3.330 -0.462 351 HB THR 43 HB THR 43 8.079 4.484 1.528 352 HG1 THR 43 HG1 THR 43 8.852 2.614 2.667 353 HG21 THR 43 HG21 THR 43 5.517 2.998 2.078 354 HG22 THR 43 HG22 THR 43 5.656 4.091 0.698 355 HG23 THR 43 HG23 THR 43 5.879 4.704 2.337 356 H LYS 44 H LYS 44 10.238 3.298 0.888 357 HA LYS 44 HA LYS 44 11.310 0.593 0.681 358 HB2 LYS 44 HB2 LYS 44 12.722 3.170 1.407 359 HB3 LYS 44 HB3 LYS 44 13.477 1.649 0.928 360 HG2 LYS 44 HG2 LYS 44 12.128 1.847 -1.248 361 HG3 LYS 44 HG3 LYS 44 11.807 3.513 -0.767 362 HD2 LYS 44 HD2 LYS 44 14.576 2.307 -1.040 363 HD3 LYS 44 HD3 LYS 44 13.797 3.311 -2.262 364 HE2 LYS 44 HE2 LYS 44 13.522 5.068 -0.400 365 HE3 LYS 44 HE3 LYS 44 14.679 4.103 0.516 366 HZ1 LYS 44 HZ1 LYS 44 15.965 4.256 -1.772 367 HZ2 LYS 44 HZ2 LYS 44 16.117 5.448 -0.570 368 HZ3 LYS 44 HZ3 LYS 44 15.081 5.698 -1.894 369 H LEU 45 H LEU 45 9.424 1.236 2.842 370 HA LEU 45 HA LEU 45 10.996 1.342 5.280 371 HB2 LEU 45 HB2 LEU 45 8.110 1.362 4.549 372 HB3 LEU 45 HB3 LEU 45 8.484 0.673 6.117 373 HG LEU 45 HG LEU 45 7.969 3.206 5.992 374 HD11 LEU 45 HD11 LEU 45 9.523 3.684 7.802 375 HD12 LEU 45 HD12 LEU 45 10.540 2.325 7.331 376 HD13 LEU 45 HD13 LEU 45 8.919 2.036 7.963 377 HD21 LEU 45 HD21 LEU 45 9.502 4.689 5.127 378 HD22 LEU 45 HD22 LEU 45 9.817 3.346 4.040 379 HD23 LEU 45 HD23 LEU 45 10.880 3.632 5.413 380 H ALA 46 H ALA 46 8.347 -0.919 4.947 381 HA ALA 46 HA ALA 46 9.883 -3.274 4.573 382 HB1 ALA 46 HB1 ALA 46 9.641 -4.145 6.932 383 HB2 ALA 46 HB2 ALA 46 9.248 -2.497 7.423 384 HB3 ALA 46 HB3 ALA 46 10.831 -2.860 6.733 385 H LYS 47 H LYS 47 7.162 -1.743 4.290 386 HA LYS 47 HA LYS 47 5.573 -4.118 4.037 387 HB2 LYS 47 HB2 LYS 47 3.758 -3.039 5.634 388 HB3 LYS 47 HB3 LYS 47 5.040 -4.050 6.296 389 HG2 LYS 47 HG2 LYS 47 4.749 -1.926 7.564 390 HG3 LYS 47 HG3 LYS 47 6.362 -2.083 6.869 391 HD2 LYS 47 HD2 LYS 47 5.868 -0.547 5.115 392 HD3 LYS 47 HD3 LYS 47 4.135 -0.618 5.441 393 HE2 LYS 47 HE2 LYS 47 4.480 0.468 7.612 394 HE3 LYS 47 HE3 LYS 47 6.222 0.494 7.339 395 HZ1 LYS 47 HZ1 LYS 47 6.049 2.114 5.763 396 HZ2 LYS 47 HZ2 LYS 47 4.742 2.549 6.757 397 HZ3 LYS 47 HZ3 LYS 47 4.468 1.689 5.318 398 H ASP 48 H ASP 48 3.169 -3.381 3.595 399 HA ASP 48 HA ASP 48 3.330 -1.172 1.631 400 HB2 ASP 48 HB2 ASP 48 1.532 -3.588 1.856 401 HB3 ASP 48 HB3 ASP 48 1.227 -2.266 0.735 402 H ILE 49 H ILE 49 1.676 0.363 1.496 403 HA ILE 49 HA ILE 49 -0.066 0.622 3.891 404 HB ILE 49 HB ILE 49 1.218 2.851 2.292 405 HG12 ILE 49 HG12 ILE 49 2.729 1.340 3.821 406 HG13 ILE 49 HG13 ILE 49 2.851 3.087 3.959 407 HG21 ILE 49 HG21 ILE 49 -0.545 2.783 4.746 408 HG22 ILE 49 HG22 ILE 49 -0.834 3.619 3.221 409 HG23 ILE 49 HG23 ILE 49 0.426 4.191 4.315 410 HD11 ILE 49 HD11 ILE 49 2.704 1.807 6.161 411 HD12 ILE 49 HD12 ILE 49 1.033 1.447 5.741 412 HD13 ILE 49 HD13 ILE 49 1.543 3.118 5.963 413 H CYS 50 H CYS 50 -2.192 1.012 3.513 414 HA CYS 50 HA CYS 50 -3.075 1.111 0.693 415 HB2 CYS 50 HB2 CYS 50 -4.485 0.373 3.260 416 HB3 CYS 50 HB3 CYS 50 -5.313 0.541 1.714 417 H ALA 51 H ALA 51 -4.768 2.556 0.063 418 HA ALA 51 HA ALA 51 -5.781 4.605 1.739 419 HB1 ALA 51 HB1 ALA 51 -3.879 5.809 -0.238 420 HB2 ALA 51 HB2 ALA 51 -3.213 5.158 1.258 421 HB3 ALA 51 HB3 ALA 51 -4.429 6.428 1.320 422 H ASP 52 H ASP 52 -7.579 5.441 0.803 423 HA ASP 52 HA ASP 52 -8.244 4.567 -1.887 424 HB2 ASP 52 HB2 ASP 52 -9.761 5.930 0.327 425 HB3 ASP 52 HB3 ASP 52 -10.453 5.762 -1.284 426 HA PRO 53 HA PRO 53 -7.269 8.429 -3.882 427 HB2 PRO 53 HB2 PRO 53 -8.965 8.345 -6.027 428 HB3 PRO 53 HB3 PRO 53 -7.531 7.311 -5.891 429 HG2 PRO 53 HG2 PRO 53 -10.386 6.657 -5.295 430 HG3 PRO 53 HG3 PRO 53 -9.168 5.698 -6.156 431 HD2 PRO 53 HD2 PRO 53 -9.795 5.219 -3.552 432 HD3 PRO 53 HD3 PRO 53 -8.158 4.962 -4.197 433 H LYS 54 H LYS 54 -8.524 9.155 -1.738 434 HA LYS 54 HA LYS 54 -10.535 11.126 -2.632 435 HB2 LYS 54 HB2 LYS 54 -10.746 9.439 -0.121 436 HB3 LYS 54 HB3 LYS 54 -11.839 10.742 -0.577 437 HG2 LYS 54 HG2 LYS 54 -11.362 8.288 -2.295 438 HG3 LYS 54 HG3 LYS 54 -12.668 8.406 -1.121 439 HD2 LYS 54 HD2 LYS 54 -13.302 10.608 -2.362 440 HD3 LYS 54 HD3 LYS 54 -12.277 9.994 -3.659 441 HE2 LYS 54 HE2 LYS 54 -13.616 7.881 -3.652 442 HE3 LYS 54 HE3 LYS 54 -14.695 8.613 -2.464 443 HZ1 LYS 54 HZ1 LYS 54 -14.222 9.435 -5.265 444 HZ2 LYS 54 HZ2 LYS 54 -14.930 10.486 -4.132 445 HZ3 LYS 54 HZ3 LYS 54 -15.689 9.016 -4.523 446 H LYS 55 H LYS 55 -8.488 10.035 0.061 447 HA LYS 55 HA LYS 55 -8.316 12.559 1.325 448 HB2 LYS 55 HB2 LYS 55 -5.913 10.991 1.789 449 HB3 LYS 55 HB3 LYS 55 -7.237 11.326 2.899 450 HG2 LYS 55 HG2 LYS 55 -8.545 9.473 1.841 451 HG3 LYS 55 HG3 LYS 55 -7.151 9.105 0.836 452 HD2 LYS 55 HD2 LYS 55 -6.813 7.610 2.591 453 HD3 LYS 55 HD3 LYS 55 -5.876 8.989 3.157 454 HE2 LYS 55 HE2 LYS 55 -7.341 8.081 4.937 455 HE3 LYS 55 HE3 LYS 55 -7.775 9.740 4.528 456 HZ1 LYS 55 HZ1 LYS 55 -9.473 7.625 4.575 457 HZ2 LYS 55 HZ2 LYS 55 -9.127 7.787 2.919 458 HZ3 LYS 55 HZ3 LYS 55 -9.761 9.101 3.790 459 H LYS 56 H LYS 56 -6.776 14.173 1.187 460 HA LYS 56 HA LYS 56 -5.887 14.901 -1.318 461 HB2 LYS 56 HB2 LYS 56 -6.147 16.420 0.616 462 HB3 LYS 56 HB3 LYS 56 -4.682 15.748 1.324 463 HG2 LYS 56 HG2 LYS 56 -4.398 16.696 -1.496 464 HG3 LYS 56 HG3 LYS 56 -4.713 17.960 -0.312 465 HD2 LYS 56 HD2 LYS 56 -2.800 17.108 1.054 466 HD3 LYS 56 HD3 LYS 56 -2.446 15.944 -0.222 467 HE2 LYS 56 HE2 LYS 56 -2.181 17.819 -1.830 468 HE3 LYS 56 HE3 LYS 56 -2.459 18.960 -0.515 469 HZ1 LYS 56 HZ1 LYS 56 -0.493 17.102 0.260 470 HZ2 LYS 56 HZ2 LYS 56 -0.349 18.785 0.075 471 HZ3 LYS 56 HZ3 LYS 56 -0.062 17.754 -1.245 472 H TRP 57 H TRP 57 -3.735 13.663 1.293 473 HA TRP 57 HA TRP 57 -1.420 13.686 -0.246 474 HB2 TRP 57 HB2 TRP 57 -0.394 12.346 1.399 475 HB3 TRP 57 HB3 TRP 57 -1.592 13.311 2.252 476 HD1 TRP 57 HD1 TRP 57 -3.810 12.073 3.086 477 HE1 TRP 57 HE1 TRP 57 -4.261 9.595 3.630 478 HE3 TRP 57 HE3 TRP 57 0.171 9.898 0.721 479 HZ2 TRP 57 HZ2 TRP 57 -3.093 7.034 3.134 480 HZ3 TRP 57 HZ3 TRP 57 0.473 7.443 0.774 481 HH2 TRP 57 HH2 TRP 57 -1.154 6.008 1.978 482 H VAL 58 H VAL 58 -4.073 11.467 -0.469 483 HA VAL 58 HA VAL 58 -2.552 9.346 -1.685 484 HB VAL 58 HB VAL 58 -5.522 9.937 -1.716 485 HG11 VAL 58 HG11 VAL 58 -3.947 7.546 -2.709 486 HG12 VAL 58 HG12 VAL 58 -4.997 8.584 -3.657 487 HG13 VAL 58 HG13 VAL 58 -5.681 7.519 -2.433 488 HG21 VAL 58 HG21 VAL 58 -5.458 7.879 -0.172 489 HG22 VAL 58 HG22 VAL 58 -4.860 9.393 0.500 490 HG23 VAL 58 HG23 VAL 58 -3.726 8.171 -0.049 491 H GLN 59 H GLN 59 -4.847 11.757 -2.965 492 HA GLN 59 HA GLN 59 -4.362 11.148 -5.683 493 HB2 GLN 59 HB2 GLN 59 -5.199 13.911 -4.856 494 HB3 GLN 59 HB3 GLN 59 -5.798 12.903 -6.174 495 HG2 GLN 59 HG2 GLN 59 -6.634 11.345 -4.197 496 HG3 GLN 59 HG3 GLN 59 -6.499 12.819 -3.247 497 HE21 GLN 59 HE21 GLN 59 -8.055 14.495 -3.606 498 HE22 GLN 59 HE22 GLN 59 -9.368 14.311 -4.666 499 H ASP 60 H ASP 60 -2.803 13.318 -3.410 500 HA ASP 60 HA ASP 60 -1.245 14.700 -5.390 501 HB2 ASP 60 HB2 ASP 60 -1.914 15.536 -3.054 502 HB3 ASP 60 HB3 ASP 60 -0.602 14.527 -2.450 503 H SER 61 H SER 61 -0.845 11.793 -3.485 504 HA SER 61 HA SER 61 1.986 11.604 -3.713 505 HB2 SER 61 HB2 SER 61 1.192 10.224 -2.036 506 HB3 SER 61 HB3 SER 61 -0.226 9.738 -2.965 507 HG SER 61 HG SER 61 2.375 9.060 -3.815 508 H MET 62 H MET 62 -0.635 9.985 -5.556 509 HA MET 62 HA MET 62 1.169 8.708 -7.355 510 HB2 MET 62 HB2 MET 62 -0.959 8.477 -8.790 511 HB3 MET 62 HB3 MET 62 -0.956 7.703 -7.206 512 HG2 MET 62 HG2 MET 62 -2.357 9.325 -6.267 513 HG3 MET 62 HG3 MET 62 -1.988 10.515 -7.508 514 HE1 MET 62 HE1 MET 62 -4.544 8.240 -6.175 515 HE2 MET 62 HE2 MET 62 -3.462 7.011 -6.826 516 HE3 MET 62 HE3 MET 62 -5.080 7.197 -7.499 517 H LYS 63 H LYS 63 -0.587 11.770 -7.421 518 HA LYS 63 HA LYS 63 -0.124 12.475 -10.098 519 HB2 LYS 63 HB2 LYS 63 -1.679 13.745 -8.746 520 HB3 LYS 63 HB3 LYS 63 -0.403 14.190 -7.616 521 HG2 LYS 63 HG2 LYS 63 -0.986 16.013 -9.235 522 HG3 LYS 63 HG3 LYS 63 0.707 15.535 -9.309 523 HD2 LYS 63 HD2 LYS 63 0.417 14.369 -11.341 524 HD3 LYS 63 HD3 LYS 63 -1.332 14.265 -11.138 525 HE2 LYS 63 HE2 LYS 63 0.207 16.838 -11.601 526 HE3 LYS 63 HE3 LYS 63 -0.676 15.955 -12.846 527 HZ1 LYS 63 HZ1 LYS 63 -1.745 17.345 -10.468 528 HZ2 LYS 63 HZ2 LYS 63 -2.650 16.154 -11.278 529 HZ3 LYS 63 HZ3 LYS 63 -2.163 17.561 -12.098 530 H TYR 64 H TYR 64 1.799 12.997 -7.175 531 HA TYR 64 HA TYR 64 3.881 14.475 -8.391 532 HB2 TYR 64 HB2 TYR 64 4.179 14.710 -6.141 533 HB3 TYR 64 HB3 TYR 64 3.309 13.224 -5.800 534 HD1 TYR 64 HD1 TYR 64 6.542 14.101 -7.518 535 HD2 TYR 64 HD2 TYR 64 4.560 11.699 -4.557 536 HE1 TYR 64 HE1 TYR 64 8.691 12.986 -6.980 537 HE2 TYR 64 HE2 TYR 64 6.708 10.590 -4.015 538 HH TYR 64 HH TYR 64 9.598 11.147 -5.941 539 H LEU 65 H LEU 65 3.242 11.036 -8.076 540 HA LEU 65 HA LEU 65 5.830 10.200 -8.992 541 HB2 LEU 65 HB2 LEU 65 3.191 8.823 -8.538 542 HB3 LEU 65 HB3 LEU 65 4.495 7.980 -9.371 543 HG LEU 65 HG LEU 65 5.111 9.372 -6.770 544 HD11 LEU 65 HD11 LEU 65 4.596 7.000 -5.734 545 HD12 LEU 65 HD12 LEU 65 3.483 6.868 -7.091 546 HD13 LEU 65 HD13 LEU 65 3.298 8.177 -5.928 547 HD21 LEU 65 HD21 LEU 65 6.901 7.840 -6.669 548 HD22 LEU 65 HD22 LEU 65 6.777 8.166 -8.395 549 HD23 LEU 65 HD23 LEU 65 6.099 6.684 -7.729 550 H ASP 66 H ASP 66 2.975 11.342 -10.482 551 HA ASP 66 HA ASP 66 3.205 10.050 -13.000 552 HB2 ASP 66 HB2 ASP 66 1.213 11.340 -11.985 553 HB3 ASP 66 HB3 ASP 66 2.014 12.788 -12.589 554 H GLN 67 H GLN 67 4.634 12.952 -11.624 555 HA GLN 67 HA GLN 67 5.597 14.092 -14.032 556 HB2 GLN 67 HB2 GLN 67 6.777 14.309 -11.252 557 HB3 GLN 67 HB3 GLN 67 7.063 15.409 -12.601 558 HG2 GLN 67 HG2 GLN 67 4.688 16.015 -12.644 559 HG3 GLN 67 HG3 GLN 67 4.358 14.876 -11.339 560 HE21 GLN 67 HE21 GLN 67 4.100 16.003 -9.412 561 HE22 GLN 67 HE22 GLN 67 5.029 17.341 -8.935 562 H LYS 68 H LYS 68 7.266 12.102 -11.581 563 HA LYS 68 HA LYS 68 9.586 11.773 -13.272 564 HB2 LYS 68 HB2 LYS 68 10.381 10.277 -11.460 565 HB3 LYS 68 HB3 LYS 68 9.876 11.854 -10.858 566 HG2 LYS 68 HG2 LYS 68 7.565 10.737 -10.465 567 HG3 LYS 68 HG3 LYS 68 8.429 9.214 -10.651 568 HD2 LYS 68 HD2 LYS 68 9.260 11.366 -8.683 569 HD3 LYS 68 HD3 LYS 68 8.212 10.014 -8.262 570 HE2 LYS 68 HE2 LYS 68 10.014 8.459 -9.096 571 HE3 LYS 68 HE3 LYS 68 11.067 9.865 -9.260 572 HZ1 LYS 68 HZ1 LYS 68 11.514 9.748 -7.111 573 HZ2 LYS 68 HZ2 LYS 68 10.517 8.380 -6.959 574 HZ3 LYS 68 HZ3 LYS 68 9.873 9.935 -6.728 575 H SER 69 H SER 69 6.630 10.052 -12.660 576 HA SER 69 HA SER 69 5.835 8.008 -13.396 577 HB2 SER 69 HB2 SER 69 7.512 8.670 -15.817 578 HB3 SER 69 HB3 SER 69 6.053 7.685 -15.763 579 HG SER 69 HG SER 69 6.260 10.449 -15.124 580 HA PRO 70 HA PRO 70 9.673 5.715 -12.100 581 HB2 PRO 70 HB2 PRO 70 7.477 3.901 -11.149 582 HB3 PRO 70 HB3 PRO 70 8.955 4.417 -10.312 583 HG2 PRO 70 HG2 PRO 70 6.605 5.453 -9.663 584 HG3 PRO 70 HG3 PRO 70 8.057 6.471 -9.723 585 HD2 PRO 70 HD2 PRO 70 5.806 6.281 -11.704 586 HD3 PRO 70 HD3 PRO 70 6.727 7.708 -11.182 587 H THR 71 H THR 71 9.832 5.498 -14.514 588 HA THR 71 HA THR 71 8.529 3.208 -15.730 589 HB THR 71 HB THR 71 10.035 3.891 -17.694 590 HG1 THR 71 HG1 THR 71 10.395 6.161 -16.045 591 HG21 THR 71 HG21 THR 71 7.760 4.571 -17.763 592 HG22 THR 71 HG22 THR 71 8.684 6.052 -18.021 593 HG23 THR 71 HG23 THR 71 7.981 5.714 -16.438 594 HA PRO 72 HA PRO 72 11.388 -0.084 -14.958 595 HB2 PRO 72 HB2 PRO 72 11.866 -0.002 -17.931 596 HB3 PRO 72 HB3 PRO 72 11.621 -1.408 -16.874 597 HG2 PRO 72 HG2 PRO 72 9.637 -0.438 -18.382 598 HG3 PRO 72 HG3 PRO 72 9.340 -1.103 -16.766 599 HD2 PRO 72 HD2 PRO 72 9.209 1.720 -17.663 600 HD3 PRO 72 HD3 PRO 72 8.481 0.961 -16.232 601 H LYS 73 H LYS 73 12.470 2.385 -17.291 602 HA LYS 73 HA LYS 73 14.841 2.966 -15.807 603 HB2 LYS 73 HB2 LYS 73 15.452 0.773 -16.857 604 HB3 LYS 73 HB3 LYS 73 15.272 1.540 -18.435 605 HG2 LYS 73 HG2 LYS 73 17.011 3.150 -17.915 606 HG3 LYS 73 HG3 LYS 73 17.121 2.554 -16.257 607 HD2 LYS 73 HD2 LYS 73 18.004 0.449 -16.974 608 HD3 LYS 73 HD3 LYS 73 17.616 0.785 -18.662 609 HE2 LYS 73 HE2 LYS 73 19.518 2.519 -17.075 610 HE3 LYS 73 HE3 LYS 73 20.065 1.106 -17.979 611 HZ1 LYS 73 HZ1 LYS 73 18.354 2.668 -19.588 612 HZ2 LYS 73 HZ2 LYS 73 19.985 2.264 -19.845 613 HZ3 LYS 73 HZ3 LYS 73 19.582 3.656 -18.957 614 HA PRO 74 HA PRO 74 13.184 6.415 -18.453 615 HB2 PRO 74 HB2 PRO 74 15.104 7.783 -16.585 616 HB3 PRO 74 HB3 PRO 74 13.493 8.305 -17.123 617 HG2 PRO 74 HG2 PRO 74 13.834 7.264 -14.709 618 HG3 PRO 74 HG3 PRO 74 12.399 6.867 -15.673 619 HD2 PRO 74 HD2 PRO 74 14.804 5.180 -15.094 620 HD3 PRO 74 HD3 PRO 74 13.115 4.684 -15.344 621 H1 VAL 208 H1 VAL 208 -13.092 12.685 4.227 622 H2 VAL 208 H2 VAL 208 -12.471 11.769 2.937 623 H3 VAL 208 H3 VAL 208 -13.114 13.316 2.653 624 HA VAL 208 HA VAL 208 -10.475 12.643 3.194 625 HB VAL 208 HB VAL 208 -10.142 15.063 2.906 626 HG11 VAL 208 HG11 VAL 208 -12.372 14.011 1.137 627 HG12 VAL 208 HG12 VAL 208 -10.660 13.640 0.931 628 HG13 VAL 208 HG13 VAL 208 -11.234 15.295 0.728 629 HG21 VAL 208 HG21 VAL 208 -13.138 15.123 3.351 630 HG22 VAL 208 HG22 VAL 208 -12.259 16.460 2.609 631 HG23 VAL 208 HG23 VAL 208 -11.894 15.978 4.266 632 H GLU 209 H GLU 209 -12.942 14.146 5.229 633 HA GLU 209 HA GLU 209 -11.505 15.231 7.282 634 HB2 GLU 209 HB2 GLU 209 -13.378 14.486 8.793 635 HB3 GLU 209 HB3 GLU 209 -13.904 15.320 7.331 636 HG2 GLU 209 HG2 GLU 209 -13.686 12.308 7.438 637 HG3 GLU 209 HG3 GLU 209 -15.145 13.146 7.960 638 H THR 210 H THR 210 -10.766 14.459 9.332 639 HA THR 210 HA THR 210 -9.441 13.076 10.607 640 HB THR 210 HB THR 210 -10.389 10.967 11.166 641 HG1 THR 210 HG1 THR 210 -10.555 10.135 9.074 642 HG21 THR 210 HG21 THR 210 -12.730 11.507 11.507 643 HG22 THR 210 HG22 THR 210 -12.683 12.698 10.206 644 HG23 THR 210 HG23 THR 210 -11.781 12.981 11.696 645 H PHE 211 H PHE 211 -8.208 10.858 10.523 646 HA PHE 211 HA PHE 211 -6.446 9.743 9.549 647 HB2 PHE 211 HB2 PHE 211 -8.645 9.667 7.510 648 HB3 PHE 211 HB3 PHE 211 -7.051 9.095 7.026 649 HD1 PHE 211 HD1 PHE 211 -8.609 8.846 10.418 650 HD2 PHE 211 HD2 PHE 211 -7.385 6.751 6.870 651 HE1 PHE 211 HE1 PHE 211 -9.029 6.684 11.550 652 HE2 PHE 211 HE2 PHE 211 -7.808 4.589 8.006 653 HZ PHE 211 HZ PHE 211 -8.628 4.556 10.344 654 H GLY 212 H GLY 212 -5.085 11.616 9.701 655 HA2 GLY 212 HA2 GLY 212 -3.622 12.251 7.463 656 HA3 GLY 212 HA3 GLY 212 -4.869 13.492 7.542 657 H THR 213 H THR 213 -1.795 13.218 8.134 658 HA THR 213 HA THR 213 -1.818 15.156 10.314 659 HB THR 213 HB THR 213 -0.118 13.875 11.613 660 HG1 THR 213 HG1 THR 213 0.576 12.040 10.882 661 HG21 THR 213 HG21 THR 213 -1.698 12.496 12.736 662 HG22 THR 213 HG22 THR 213 -2.633 12.239 11.263 663 HG23 THR 213 HG23 THR 213 -2.642 13.818 12.050 664 H THR 214 H THR 214 0.702 15.564 10.848 665 HA THR 214 HA THR 214 1.798 16.561 8.384 666 HB THR 214 HB THR 214 3.645 17.372 9.856 667 HG1 THR 214 HG1 THR 214 2.653 16.984 12.206 668 HG21 THR 214 HG21 THR 214 0.864 17.900 10.938 669 HG22 THR 214 HG22 THR 214 1.549 18.673 9.508 670 HG23 THR 214 HG23 THR 214 2.266 18.958 11.095 671 H SER 215 H SER 215 3.938 15.140 10.740 672 HA SER 215 HA SER 215 5.333 13.679 8.684 673 HB2 SER 215 HB2 SER 215 5.749 13.604 11.680 674 HB3 SER 215 HB3 SER 215 6.886 13.075 10.443 675 HG SER 215 HG SER 215 7.501 15.112 10.902 676 H TYS 216 H TYS 216 6.123 11.354 9.709 677 HA TYS 216 HA TYS 216 4.044 9.783 10.874 678 HB2 TYS 216 HB2 TYS 216 3.021 10.028 8.680 679 HB3 TYS 216 HB1 TYS 216 4.510 9.507 7.896 680 HD1 TYS 216 HD1 TYS 216 2.252 8.313 10.665 681 HD2 TYS 216 HD2 TYS 216 4.554 7.282 7.189 682 HE1 TYS 216 HE1 TYS 216 1.539 5.952 10.892 683 HE2 TYS 216 HE2 TYS 216 3.843 4.921 7.419 684 H TYS 217 H TYS 217 7.113 10.425 10.396 685 HA TYS 217 HA TYS 217 8.015 7.843 11.310 686 HB2 TYS 217 HB2 TYS 217 8.629 8.811 8.525 687 HB3 TYS 217 HB1 TYS 217 9.832 7.864 9.397 688 HD1 TYS 217 HD1 TYS 217 8.757 5.728 10.679 689 HD2 TYS 217 HD2 TYS 217 7.152 7.608 7.162 690 HE1 TYS 217 HE1 TYS 217 7.554 3.639 10.109 691 HE2 TYS 217 HE2 TYS 217 5.954 5.513 6.592 692 H ASP 218 H ASP 218 7.962 10.894 11.798 693 HA ASP 218 HA ASP 218 10.436 12.072 11.722 694 HB2 ASP 218 HB2 ASP 218 9.781 13.242 13.830 695 HB3 ASP 218 HB3 ASP 218 8.520 13.257 12.598 696 H ASP 219 H ASP 219 9.465 9.317 13.567 697 HA ASP 219 HA ASP 219 11.541 9.443 15.538 698 HB2 ASP 219 HB2 ASP 219 9.732 7.222 14.582 699 HB3 ASP 219 HB3 ASP 219 10.936 6.993 15.850 700 H VAL 220 H VAL 220 11.215 8.051 12.335 701 HA VAL 220 HA VAL 220 12.744 7.121 10.899 702 HB VAL 220 HB VAL 220 14.891 8.190 12.733 703 HG11 VAL 220 HG11 VAL 220 15.649 6.780 10.881 704 HG12 VAL 220 HG12 VAL 220 16.079 8.461 10.561 705 HG13 VAL 220 HG13 VAL 220 14.699 7.732 9.740 706 HG21 VAL 220 HG21 VAL 220 13.119 9.625 10.743 707 HG22 VAL 220 HG22 VAL 220 14.695 10.253 11.225 708 HG23 VAL 220 HG23 VAL 220 13.420 10.050 12.427 709 H GLY 221 H GLY 221 14.492 6.842 13.996 710 HA2 GLY 221 HA2 GLY 221 15.571 4.341 13.653 711 HA3 GLY 221 HA3 GLY 221 15.103 4.984 15.225 712 H LEU 222 H LEU 222 12.268 5.115 13.887 713 HA LEU 222 HA LEU 222 11.054 3.031 15.190 714 HB2 LEU 222 HB2 LEU 222 10.063 5.031 13.802 715 HB3 LEU 222 HB3 LEU 222 10.019 3.861 12.486 716 HG LEU 222 HG LEU 222 8.719 3.523 15.209 717 HD11 LEU 222 HD11 LEU 222 6.637 3.854 14.088 718 HD12 LEU 222 HD12 LEU 222 7.396 3.759 12.498 719 HD13 LEU 222 HD13 LEU 222 7.688 5.158 13.533 720 HD21 LEU 222 HD21 LEU 222 7.644 1.535 13.913 721 HD22 LEU 222 HD22 LEU 222 9.289 1.337 14.510 722 HD23 LEU 222 HD23 LEU 222 9.009 1.707 12.810 723 H LEU 223 H LEU 223 11.772 3.010 11.686 724 HA LEU 223 HA LEU 223 11.164 0.396 11.115 725 HB2 LEU 223 HB2 LEU 223 11.784 1.888 9.341 726 HB3 LEU 223 HB3 LEU 223 13.385 2.138 10.029 727 HG LEU 223 HG LEU 223 14.047 -0.121 9.517 728 HD11 LEU 223 HD11 LEU 223 12.133 -1.427 10.017 729 HD12 LEU 223 HD12 LEU 223 12.327 -1.599 8.274 730 HD13 LEU 223 HD13 LEU 223 11.109 -0.499 8.921 731 HD21 LEU 223 HD21 LEU 223 13.927 1.620 7.647 732 HD22 LEU 223 HD22 LEU 223 12.451 0.809 7.120 733 HD23 LEU 223 HD23 LEU 223 13.983 -0.065 7.128 Start of MODEL 5 1 H1 GLY 1 H1 GLY 1 -0.101 -13.707 -15.208 2 H2 GLY 1 H2 GLY 1 0.151 -15.129 -14.312 3 H3 GLY 1 H3 GLY 1 1.477 -14.247 -14.901 4 HA2 GLY 1 HA2 GLY 1 1.570 -13.229 -12.947 5 HA3 GLY 1 HA3 GLY 1 0.075 -12.423 -13.424 6 HA PRO 2 HA PRO 2 -1.008 -16.600 -10.952 7 HB2 PRO 2 HB2 PRO 2 1.417 -16.346 -9.196 8 HB3 PRO 2 HB3 PRO 2 0.558 -17.809 -9.724 9 HG2 PRO 2 HG2 PRO 2 2.860 -17.111 -10.847 10 HG3 PRO 2 HG3 PRO 2 1.540 -17.786 -11.821 11 HD2 PRO 2 HD2 PRO 2 2.490 -14.950 -11.647 12 HD3 PRO 2 HD3 PRO 2 1.794 -15.821 -13.032 13 H ALA 3 H ALA 3 -1.761 -16.683 -8.632 14 HA ALA 3 HA ALA 3 -2.953 -14.315 -7.825 15 HB1 ALA 3 HB1 ALA 3 -2.164 -16.634 -6.045 16 HB2 ALA 3 HB2 ALA 3 -3.624 -16.564 -7.031 17 HB3 ALA 3 HB3 ALA 3 -3.404 -15.429 -5.698 18 H SER 4 H SER 4 -2.502 -12.770 -6.249 19 HA SER 4 HA SER 4 0.217 -12.002 -5.985 20 HB2 SER 4 HB2 SER 4 -1.767 -10.450 -5.935 21 HB3 SER 4 HB3 SER 4 -2.114 -11.044 -4.313 22 HG SER 4 HG SER 4 0.469 -10.145 -4.961 23 H VAL 5 H VAL 5 0.943 -11.335 -3.612 24 HA VAL 5 HA VAL 5 1.564 -13.742 -2.276 25 HB VAL 5 HB VAL 5 1.739 -10.934 -1.167 26 HG11 VAL 5 HG11 VAL 5 3.397 -13.412 -0.617 27 HG12 VAL 5 HG12 VAL 5 2.103 -12.827 0.430 28 HG13 VAL 5 HG13 VAL 5 3.549 -11.848 0.182 29 HG21 VAL 5 HG21 VAL 5 4.031 -10.947 -2.126 30 HG22 VAL 5 HG22 VAL 5 2.795 -11.050 -3.380 31 HG23 VAL 5 HG23 VAL 5 3.683 -12.495 -2.897 32 HA PRO 6 HA PRO 6 -2.218 -13.953 0.154 33 HB2 PRO 6 HB2 PRO 6 -1.592 -16.012 1.815 34 HB3 PRO 6 HB3 PRO 6 -1.927 -16.260 0.088 35 HG2 PRO 6 HG2 PRO 6 0.708 -16.079 1.491 36 HG3 PRO 6 HG3 PRO 6 0.179 -17.215 0.236 37 HD2 PRO 6 HD2 PRO 6 1.716 -15.012 -0.315 38 HD3 PRO 6 HD3 PRO 6 0.574 -15.707 -1.486 39 H THR 7 H THR 7 -2.814 -12.623 1.767 40 HA THR 7 HA THR 7 -1.401 -12.542 4.283 41 HB THR 7 HB THR 7 -1.475 -10.027 2.601 42 HG1 THR 7 HG1 THR 7 0.859 -11.316 3.445 43 HG21 THR 7 HG21 THR 7 -1.634 -9.493 4.933 44 HG22 THR 7 HG22 THR 7 0.049 -9.238 4.471 45 HG23 THR 7 HG23 THR 7 -0.412 -10.694 5.353 46 H THR 8 H THR 8 -2.525 -11.270 5.887 47 HA THR 8 HA THR 8 -5.378 -11.367 5.538 48 HB THR 8 HB THR 8 -4.396 -11.920 7.699 49 HG1 THR 8 HG1 THR 8 -5.920 -9.543 7.582 50 HG21 THR 8 HG21 THR 8 -3.473 -9.034 7.762 51 HG22 THR 8 HG22 THR 8 -2.420 -10.423 7.493 52 HG23 THR 8 HG23 THR 8 -3.247 -10.230 9.038 53 H CYS 9 H CYS 9 -3.311 -9.273 4.279 54 HA CYS 9 HA CYS 9 -3.451 -7.117 3.504 55 HB2 CYS 9 HB2 CYS 9 -5.783 -8.044 2.912 56 HB3 CYS 9 HB3 CYS 9 -6.358 -7.128 4.304 57 H CYS 10 H CYS 10 -3.157 -5.058 4.282 58 HA CYS 10 HA CYS 10 -2.615 -4.633 6.952 59 HB2 CYS 10 HB2 CYS 10 -2.423 -2.329 6.442 60 HB3 CYS 10 HB3 CYS 10 -2.038 -3.156 4.934 61 H PHE 11 H PHE 11 -3.809 -2.647 8.141 62 HA PHE 11 HA PHE 11 -6.221 -3.684 9.155 63 HB2 PHE 11 HB2 PHE 11 -5.086 -0.878 9.275 64 HB3 PHE 11 HB3 PHE 11 -6.469 -1.433 10.218 65 HD1 PHE 11 HD1 PHE 11 -6.201 -3.129 11.984 66 HD2 PHE 11 HD2 PHE 11 -2.833 -1.635 9.777 67 HE1 PHE 11 HE1 PHE 11 -4.664 -4.087 13.679 68 HE2 PHE 11 HE2 PHE 11 -1.296 -2.593 11.472 69 HZ PHE 11 HZ PHE 11 -2.212 -3.820 13.422 70 H ASN 12 H ASN 12 -5.994 -0.495 7.609 71 HA ASN 12 HA ASN 12 -7.691 -0.931 5.445 72 HB2 ASN 12 HB2 ASN 12 -9.768 0.260 6.468 73 HB3 ASN 12 HB3 ASN 12 -9.544 -1.460 6.774 74 HD21 ASN 12 HD21 ASN 12 -10.977 -0.825 8.747 75 HD22 ASN 12 HD22 ASN 12 -10.163 -0.292 10.138 76 H LEU 13 H LEU 13 -6.591 0.576 4.334 77 HA LEU 13 HA LEU 13 -5.825 2.628 3.651 78 HB2 LEU 13 HB2 LEU 13 -7.965 3.850 5.383 79 HB3 LEU 13 HB3 LEU 13 -7.339 4.417 3.835 80 HG LEU 13 HG LEU 13 -8.983 1.906 4.278 81 HD11 LEU 13 HD11 LEU 13 -10.454 3.763 4.384 82 HD12 LEU 13 HD12 LEU 13 -10.551 3.220 2.708 83 HD13 LEU 13 HD13 LEU 13 -9.581 4.635 3.124 84 HD21 LEU 13 HD21 LEU 13 -7.623 3.083 1.843 85 HD22 LEU 13 HD22 LEU 13 -8.977 1.963 1.705 86 HD23 LEU 13 HD23 LEU 13 -7.483 1.446 2.484 87 H ALA 14 H ALA 14 -5.463 5.032 4.691 88 HA ALA 14 HA ALA 14 -4.454 4.907 7.414 89 HB1 ALA 14 HB1 ALA 14 -2.618 5.122 5.024 90 HB2 ALA 14 HB2 ALA 14 -2.531 3.971 6.357 91 HB3 ALA 14 HB3 ALA 14 -2.153 5.672 6.634 92 H ASN 15 H ASN 15 -5.119 6.772 8.258 93 HA ASN 15 HA ASN 15 -5.644 9.072 6.561 94 HB2 ASN 15 HB2 ASN 15 -7.107 8.301 8.515 95 HB3 ASN 15 HB3 ASN 15 -5.866 8.983 9.564 96 HD21 ASN 15 HD21 ASN 15 -5.706 10.858 6.858 97 HD22 ASN 15 HD22 ASN 15 -6.800 12.083 7.288 98 H ARG 16 H ARG 16 -2.948 8.501 6.494 99 HA ARG 16 HA ARG 16 -1.836 10.927 7.709 100 HB2 ARG 16 HB2 ARG 16 -0.579 8.199 8.111 101 HB3 ARG 16 HB3 ARG 16 0.078 9.743 8.655 102 HG2 ARG 16 HG2 ARG 16 -2.081 10.075 9.956 103 HG3 ARG 16 HG3 ARG 16 -2.466 8.394 9.589 104 HD2 ARG 16 HD2 ARG 16 -0.403 7.661 10.687 105 HD3 ARG 16 HD3 ARG 16 0.042 9.333 11.006 106 HE ARG 16 HE ARG 16 -2.476 8.954 12.133 107 HH11 ARG 16 HH21 ARG 16 0.731 7.687 12.423 108 HH12 ARG 16 HH22 ARG 16 0.576 7.305 14.106 109 HH21 ARG 16 HH11 ARG 16 -2.687 8.455 14.339 110 HH22 ARG 16 HH12 ARG 16 -1.359 7.740 15.190 111 H LYS 17 H LYS 17 -0.015 11.722 6.646 112 HA LYS 17 HA LYS 17 0.183 10.945 3.873 113 HB2 LYS 17 HB2 LYS 17 0.220 13.294 4.410 114 HB3 LYS 17 HB3 LYS 17 1.582 13.070 5.507 115 HG2 LYS 17 HG2 LYS 17 3.097 12.657 3.747 116 HG3 LYS 17 HG3 LYS 17 1.810 12.290 2.599 117 HD2 LYS 17 HD2 LYS 17 1.125 14.608 2.522 118 HD3 LYS 17 HD3 LYS 17 2.228 15.026 3.834 119 HE2 LYS 17 HE2 LYS 17 3.006 14.045 1.072 120 HE3 LYS 17 HE3 LYS 17 3.233 15.674 1.708 121 HZ1 LYS 17 HZ1 LYS 17 4.542 14.509 3.550 122 HZ2 LYS 17 HZ2 LYS 17 5.279 14.663 2.027 123 HZ3 LYS 17 HZ3 LYS 17 4.599 13.180 2.497 124 H ILE 18 H ILE 18 1.762 9.850 2.879 125 HA ILE 18 HA ILE 18 3.762 8.507 4.516 126 HB ILE 18 HB ILE 18 2.620 8.180 1.764 127 HG12 ILE 18 HG12 ILE 18 1.881 6.983 3.969 128 HG13 ILE 18 HG13 ILE 18 2.020 6.039 2.493 129 HG21 ILE 18 HG21 ILE 18 4.374 6.399 1.305 130 HG22 ILE 18 HG22 ILE 18 5.328 7.123 2.593 131 HG23 ILE 18 HG23 ILE 18 4.923 8.067 1.163 132 HD11 ILE 18 HD11 ILE 18 4.145 5.130 3.170 133 HD12 ILE 18 HD12 ILE 18 3.048 4.967 4.537 134 HD13 ILE 18 HD13 ILE 18 4.252 6.246 4.530 135 HA PRO 19 HA PRO 19 6.838 11.591 3.369 136 HB2 PRO 19 HB2 PRO 19 9.139 10.051 3.653 137 HB3 PRO 19 HB3 PRO 19 8.291 10.836 4.998 138 HG2 PRO 19 HG2 PRO 19 8.116 8.011 4.048 139 HG3 PRO 19 HG3 PRO 19 8.200 8.631 5.702 140 HD2 PRO 19 HD2 PRO 19 5.885 7.835 4.670 141 HD3 PRO 19 HD3 PRO 19 5.945 9.253 5.730 142 H LEU 20 H LEU 20 6.987 12.173 1.288 143 HA LEU 20 HA LEU 20 6.902 10.451 -0.905 144 HB2 LEU 20 HB2 LEU 20 7.568 13.341 -0.529 145 HB3 LEU 20 HB3 LEU 20 7.929 12.604 -2.090 146 HG LEU 20 HG LEU 20 5.597 11.851 -2.292 147 HD11 LEU 20 HD11 LEU 20 5.038 11.517 0.036 148 HD12 LEU 20 HD12 LEU 20 3.933 12.720 -0.626 149 HD13 LEU 20 HD13 LEU 20 5.285 13.228 0.387 150 HD21 LEU 20 HD21 LEU 20 6.364 14.194 -2.992 151 HD22 LEU 20 HD22 LEU 20 5.588 14.775 -1.517 152 HD23 LEU 20 HD23 LEU 20 4.627 13.978 -2.766 153 H GLN 21 H GLN 21 9.615 11.458 1.009 154 HA GLN 21 HA GLN 21 11.663 10.996 -0.897 155 HB2 GLN 21 HB2 GLN 21 13.116 10.773 1.191 156 HB3 GLN 21 HB3 GLN 21 12.238 12.291 1.001 157 HG2 GLN 21 HG2 GLN 21 10.529 11.569 2.547 158 HG3 GLN 21 HG3 GLN 21 11.213 9.945 2.614 159 HE21 GLN 21 HE21 GLN 21 11.432 13.158 3.936 160 HE22 GLN 21 HE22 GLN 21 12.745 12.859 4.970 161 H ARG 22 H ARG 22 9.779 8.808 1.044 162 HA ARG 22 HA ARG 22 11.670 6.591 0.508 163 HB2 ARG 22 HB2 ARG 22 9.379 6.906 2.447 164 HB3 ARG 22 HB3 ARG 22 10.204 5.374 2.174 165 HG2 ARG 22 HG2 ARG 22 12.138 6.055 3.243 166 HG3 ARG 22 HG3 ARG 22 11.971 7.728 2.719 167 HD2 ARG 22 HD2 ARG 22 10.489 8.261 4.453 168 HD3 ARG 22 HD3 ARG 22 10.046 6.578 4.730 169 HE ARG 22 HE ARG 22 12.782 6.826 5.275 170 HH11 ARG 22 HH21 ARG 22 9.734 7.995 6.422 171 HH12 ARG 22 HH22 ARG 22 10.265 8.181 8.059 172 HH21 ARG 22 HH11 ARG 22 13.486 7.068 7.420 173 HH22 ARG 22 HH12 ARG 22 12.389 7.656 8.625 174 H LEU 23 H LEU 23 8.533 7.809 -0.328 175 HA LEU 23 HA LEU 23 7.365 5.390 -1.242 176 HB2 LEU 23 HB2 LEU 23 5.833 7.101 -0.852 177 HB3 LEU 23 HB3 LEU 23 6.852 8.312 -1.585 178 HG LEU 23 HG LEU 23 4.756 7.765 -2.851 179 HD11 LEU 23 HD11 LEU 23 5.741 8.460 -4.741 180 HD12 LEU 23 HD12 LEU 23 6.790 7.050 -4.846 181 HD13 LEU 23 HD13 LEU 23 7.250 8.421 -3.844 182 HD21 LEU 23 HD21 LEU 23 4.238 5.693 -3.577 183 HD22 LEU 23 HD22 LEU 23 5.413 5.116 -2.410 184 HD23 LEU 23 HD23 LEU 23 5.875 5.337 -4.093 185 H GLU 24 H GLU 24 7.560 4.303 -3.116 186 HA GLU 24 HA GLU 24 9.460 5.339 -5.134 187 HB2 GLU 24 HB2 GLU 24 10.159 3.225 -4.225 188 HB3 GLU 24 HB3 GLU 24 8.553 2.539 -4.444 189 HG2 GLU 24 HG2 GLU 24 10.238 1.849 -6.198 190 HG3 GLU 24 HG3 GLU 24 8.773 2.582 -6.844 191 H SER 25 H SER 25 6.579 3.220 -5.080 192 HA SER 25 HA SER 25 5.324 4.805 -7.198 193 HB2 SER 25 HB2 SER 25 6.791 3.013 -8.272 194 HB3 SER 25 HB3 SER 25 5.692 1.831 -7.568 195 HG SER 25 HG SER 25 4.140 2.467 -8.895 196 H TYR 26 H TYR 26 3.144 3.491 -7.803 197 HA TYR 26 HA TYR 26 1.945 2.551 -5.259 198 HB2 TYR 26 HB2 TYR 26 -0.048 3.790 -5.662 199 HB3 TYR 26 HB3 TYR 26 1.287 4.921 -5.863 200 HD1 TYR 26 HD2 TYR 26 2.027 5.586 -8.159 201 HD2 TYR 26 HD1 TYR 26 -1.451 3.157 -7.499 202 HE1 TYR 26 HE2 TYR 26 1.261 6.070 -10.462 203 HE2 TYR 26 HE1 TYR 26 -2.217 3.629 -9.808 204 HH TYR 26 HH TYR 26 -0.811 4.358 -12.101 205 H ARG 27 H ARG 27 0.012 1.246 -5.518 206 HA ARG 27 HA ARG 27 -0.404 -0.018 -8.130 207 HB2 ARG 27 HB2 ARG 27 1.421 -1.262 -6.770 208 HB3 ARG 27 HB3 ARG 27 0.098 -1.754 -5.713 209 HG2 ARG 27 HG2 ARG 27 -1.018 -2.396 -8.102 210 HG3 ARG 27 HG3 ARG 27 0.680 -2.567 -8.539 211 HD2 ARG 27 HD2 ARG 27 0.889 -3.984 -6.389 212 HD3 ARG 27 HD3 ARG 27 -0.871 -4.045 -6.416 213 HE ARG 27 HE ARG 27 0.206 -4.777 -8.955 214 HH11 ARG 27 HH21 ARG 27 -0.267 -5.865 -5.705 215 HH12 ARG 27 HH22 ARG 27 -0.321 -7.544 -6.128 216 HH21 ARG 27 HH11 ARG 27 0.135 -6.976 -9.518 217 HH22 ARG 27 HH12 ARG 27 -0.094 -8.173 -8.287 218 H ARG 28 H ARG 28 -2.402 -1.243 -8.208 219 HA ARG 28 HA ARG 28 -4.330 -0.363 -6.143 220 HB2 ARG 28 HB2 ARG 28 -4.455 0.102 -8.790 221 HB3 ARG 28 HB3 ARG 28 -5.266 -1.461 -8.760 222 HG2 ARG 28 HG2 ARG 28 -6.778 -0.555 -6.957 223 HG3 ARG 28 HG3 ARG 28 -6.038 1.027 -7.207 224 HD2 ARG 28 HD2 ARG 28 -7.716 -0.581 -9.125 225 HD3 ARG 28 HD3 ARG 28 -7.958 1.076 -8.578 226 HE ARG 28 HE ARG 28 -5.547 1.156 -9.872 227 HH11 ARG 28 HH21 ARG 28 -8.733 0.048 -10.642 228 HH12 ARG 28 HH22 ARG 28 -8.591 0.385 -12.335 229 HH21 ARG 28 HH11 ARG 28 -5.353 1.601 -12.091 230 HH22 ARG 28 HH12 ARG 28 -6.677 1.264 -13.155 231 H ILE 29 H ILE 29 -5.826 -1.762 -5.267 232 HA ILE 29 HA ILE 29 -5.175 -4.642 -5.520 233 HB ILE 29 HB ILE 29 -6.732 -4.290 -3.177 234 HG12 ILE 29 HG12 ILE 29 -4.562 -2.178 -3.309 235 HG13 ILE 29 HG13 ILE 29 -6.282 -1.832 -3.442 236 HG21 ILE 29 HG21 ILE 29 -4.909 -5.870 -3.352 237 HG22 ILE 29 HG22 ILE 29 -4.557 -4.773 -2.019 238 HG23 ILE 29 HG23 ILE 29 -3.740 -4.571 -3.568 239 HD11 ILE 29 HD11 ILE 29 -6.702 -2.623 -1.213 240 HD12 ILE 29 HD12 ILE 29 -5.316 -1.536 -1.115 241 HD13 ILE 29 HD13 ILE 29 -5.073 -3.282 -1.072 242 H THR 30 H THR 30 -6.652 -5.901 -6.433 243 HA THR 30 HA THR 30 -9.498 -5.366 -6.126 244 HB THR 30 HB THR 30 -9.866 -5.463 -8.615 245 HG1 THR 30 HG1 THR 30 -8.202 -5.529 -9.905 246 HG21 THR 30 HG21 THR 30 -8.154 -3.102 -7.821 247 HG22 THR 30 HG22 THR 30 -9.795 -3.326 -7.212 248 HG23 THR 30 HG23 THR 30 -9.514 -3.127 -8.941 249 H SER 31 H SER 31 -7.863 -7.448 -5.190 250 HA SER 31 HA SER 31 -9.304 -9.714 -6.157 251 HB2 SER 31 HB2 SER 31 -6.387 -9.475 -6.914 252 HB3 SER 31 HB3 SER 31 -7.293 -10.986 -6.951 253 HG SER 31 HG SER 31 -7.149 -9.239 -8.849 254 H GLY 32 H GLY 32 -6.780 -8.281 -4.239 255 HA2 GLY 32 HA2 GLY 32 -6.338 -10.616 -2.589 256 HA3 GLY 32 HA3 GLY 32 -5.688 -9.001 -2.317 257 H LYS 33 H LYS 33 -9.090 -9.698 -2.810 258 HA LYS 33 HA LYS 33 -10.889 -8.948 -1.541 259 HB2 LYS 33 HB2 LYS 33 -11.145 -10.361 0.491 260 HB3 LYS 33 HB3 LYS 33 -10.695 -11.282 -0.944 261 HG2 LYS 33 HG2 LYS 33 -8.409 -11.450 -0.224 262 HG3 LYS 33 HG3 LYS 33 -8.667 -10.280 1.070 263 HD2 LYS 33 HD2 LYS 33 -8.642 -12.622 1.911 264 HD3 LYS 33 HD3 LYS 33 -10.181 -11.817 2.212 265 HE2 LYS 33 HE2 LYS 33 -10.221 -14.226 1.228 266 HE3 LYS 33 HE3 LYS 33 -11.284 -13.013 0.514 267 HZ1 LYS 33 HZ1 LYS 33 -8.596 -13.214 -0.588 268 HZ2 LYS 33 HZ2 LYS 33 -10.075 -12.926 -1.373 269 HZ3 LYS 33 HZ3 LYS 33 -9.643 -14.506 -0.919 270 H CYS 34 H CYS 34 -8.524 -7.213 -1.255 271 HA CYS 34 HA CYS 34 -8.376 -6.462 1.521 272 HB2 CYS 34 HB2 CYS 34 -7.237 -5.420 -1.048 273 HB3 CYS 34 HB3 CYS 34 -7.194 -4.393 0.386 274 HA PRO 35 HA PRO 35 -11.775 -3.710 2.166 275 HB2 PRO 35 HB2 PRO 35 -9.674 -1.557 2.319 276 HB3 PRO 35 HB3 PRO 35 -11.082 -1.823 3.368 277 HG2 PRO 35 HG2 PRO 35 -8.632 -2.598 4.105 278 HG3 PRO 35 HG3 PRO 35 -10.071 -3.544 4.521 279 HD2 PRO 35 HD2 PRO 35 -7.918 -4.195 2.590 280 HD3 PRO 35 HD3 PRO 35 -9.094 -5.276 3.368 281 H GLN 36 H GLN 36 -12.835 -3.634 0.221 282 HA GLN 36 HA GLN 36 -13.318 -3.049 -1.969 283 HB2 GLN 36 HB2 GLN 36 -13.784 -0.626 -2.148 284 HB3 GLN 36 HB3 GLN 36 -14.394 -1.314 -0.647 285 HG2 GLN 36 HG2 GLN 36 -12.576 -0.391 0.619 286 HG3 GLN 36 HG3 GLN 36 -11.703 0.063 -0.844 287 HE21 GLN 36 HE21 GLN 36 -14.112 1.094 1.433 288 HE22 GLN 36 HE22 GLN 36 -14.517 2.548 0.655 289 H LYS 37 H LYS 37 -12.581 -0.782 -3.452 290 HA LYS 37 HA LYS 37 -9.952 -1.635 -4.391 291 HB2 LYS 37 HB2 LYS 37 -11.901 -1.222 -5.933 292 HB3 LYS 37 HB3 LYS 37 -11.786 0.489 -5.528 293 HG2 LYS 37 HG2 LYS 37 -9.647 0.702 -6.526 294 HG3 LYS 37 HG3 LYS 37 -9.394 -1.043 -6.559 295 HD2 LYS 37 HD2 LYS 37 -9.978 -0.081 -8.805 296 HD3 LYS 37 HD3 LYS 37 -11.109 -1.317 -8.256 297 HE2 LYS 37 HE2 LYS 37 -12.749 0.295 -7.661 298 HE3 LYS 37 HE3 LYS 37 -11.589 1.620 -7.742 299 HZ1 LYS 37 HZ1 LYS 37 -12.695 0.040 -9.991 300 HZ2 LYS 37 HZ2 LYS 37 -11.355 1.071 -10.158 301 HZ3 LYS 37 HZ3 LYS 37 -12.867 1.704 -9.708 302 H ALA 38 H ALA 38 -8.104 -0.427 -4.294 303 HA ALA 38 HA ALA 38 -8.082 2.367 -3.667 304 HB1 ALA 38 HB1 ALA 38 -6.801 1.941 -1.451 305 HB2 ALA 38 HB2 ALA 38 -7.572 0.358 -1.490 306 HB3 ALA 38 HB3 ALA 38 -8.560 1.817 -1.435 307 H VAL 39 H VAL 39 -5.816 3.176 -3.341 308 HA VAL 39 HA VAL 39 -3.989 1.633 -5.039 309 HB VAL 39 HB VAL 39 -2.786 3.633 -5.383 310 HG11 VAL 39 HG11 VAL 39 -5.610 4.652 -5.077 311 HG12 VAL 39 HG12 VAL 39 -5.203 3.442 -6.294 312 HG13 VAL 39 HG13 VAL 39 -4.434 5.023 -6.334 313 HG21 VAL 39 HG21 VAL 39 -3.372 5.720 -4.053 314 HG22 VAL 39 HG22 VAL 39 -2.522 4.468 -3.148 315 HG23 VAL 39 HG23 VAL 39 -4.265 4.669 -2.951 316 H ILE 40 H ILE 40 -1.677 1.490 -4.401 317 HA ILE 40 HA ILE 40 -1.322 1.288 -1.460 318 HB ILE 40 HB ILE 40 -0.629 -0.744 -3.589 319 HG12 ILE 40 HG12 ILE 40 -2.246 -1.032 -1.045 320 HG13 ILE 40 HG13 ILE 40 -2.965 -0.655 -2.610 321 HG21 ILE 40 HG21 ILE 40 0.258 -2.060 -1.589 322 HG22 ILE 40 HG22 ILE 40 0.257 -0.537 -0.705 323 HG23 ILE 40 HG23 ILE 40 1.267 -0.724 -2.137 324 HD11 ILE 40 HD11 ILE 40 -1.163 -3.049 -2.229 325 HD12 ILE 40 HD12 ILE 40 -2.295 -2.731 -3.542 326 HD13 ILE 40 HD13 ILE 40 -2.898 -3.132 -1.935 327 H PHE 41 H PHE 41 0.109 2.938 -1.106 328 HA PHE 41 HA PHE 41 2.308 3.445 -2.927 329 HB2 PHE 41 HB2 PHE 41 1.845 4.537 -0.138 330 HB3 PHE 41 HB3 PHE 41 2.978 5.159 -1.337 331 HD1 PHE 41 HD2 PHE 41 1.926 5.761 -3.692 332 HD2 PHE 41 HD1 PHE 41 -0.298 5.462 -0.030 333 HE1 PHE 41 HE2 PHE 41 0.138 7.176 -4.666 334 HE2 PHE 41 HE1 PHE 41 -2.073 6.877 -0.994 335 HZ PHE 41 HZ PHE 41 -1.863 7.732 -3.317 336 H LYS 42 H LYS 42 4.105 2.255 -2.944 337 HA LYS 42 HA LYS 42 4.810 0.665 -0.555 338 HB2 LYS 42 HB2 LYS 42 6.089 -0.724 -2.034 339 HB3 LYS 42 HB3 LYS 42 4.511 -0.467 -2.777 340 HG2 LYS 42 HG2 LYS 42 5.669 1.544 -3.981 341 HG3 LYS 42 HG3 LYS 42 7.172 0.736 -3.533 342 HD2 LYS 42 HD2 LYS 42 4.927 -0.373 -5.239 343 HD3 LYS 42 HD3 LYS 42 6.584 -0.036 -5.737 344 HE2 LYS 42 HE2 LYS 42 7.287 -1.736 -3.933 345 HE3 LYS 42 HE3 LYS 42 5.591 -2.222 -3.904 346 HZ1 LYS 42 HZ1 LYS 42 5.835 -2.426 -6.411 347 HZ2 LYS 42 HZ2 LYS 42 6.582 -3.620 -5.462 348 HZ3 LYS 42 HZ3 LYS 42 7.509 -2.372 -6.148 349 H THR 43 H THR 43 6.765 0.831 0.435 350 HA THR 43 HA THR 43 8.809 2.638 -0.631 351 HB THR 43 HB THR 43 8.138 4.359 0.703 352 HG1 THR 43 HG1 THR 43 8.750 2.630 2.855 353 HG21 THR 43 HG21 THR 43 6.445 4.090 2.504 354 HG22 THR 43 HG22 THR 43 6.479 2.345 2.245 355 HG23 THR 43 HG23 THR 43 5.903 3.415 0.966 356 H LYS 44 H LYS 44 10.700 2.670 1.074 357 HA LYS 44 HA LYS 44 11.444 -0.105 1.448 358 HB2 LYS 44 HB2 LYS 44 12.923 2.466 2.052 359 HB3 LYS 44 HB3 LYS 44 13.616 0.848 2.168 360 HG2 LYS 44 HG2 LYS 44 12.889 0.544 -0.283 361 HG3 LYS 44 HG3 LYS 44 12.651 2.292 -0.305 362 HD2 LYS 44 HD2 LYS 44 15.230 0.822 0.310 363 HD3 LYS 44 HD3 LYS 44 14.892 1.813 -1.109 364 HE2 LYS 44 HE2 LYS 44 16.111 3.262 0.299 365 HE3 LYS 44 HE3 LYS 44 14.433 3.722 0.590 366 HZ1 LYS 44 HZ1 LYS 44 16.242 2.968 2.483 367 HZ2 LYS 44 HZ2 LYS 44 15.292 1.574 2.273 368 HZ3 LYS 44 HZ3 LYS 44 14.561 3.049 2.691 369 H LEU 45 H LEU 45 9.291 1.216 3.136 370 HA LEU 45 HA LEU 45 10.291 1.528 5.765 371 HB2 LEU 45 HB2 LEU 45 7.657 1.375 4.456 372 HB3 LEU 45 HB3 LEU 45 7.638 0.671 6.066 373 HG LEU 45 HG LEU 45 7.037 3.021 6.196 374 HD11 LEU 45 HD11 LEU 45 8.850 1.844 7.827 375 HD12 LEU 45 HD12 LEU 45 8.270 3.490 8.058 376 HD13 LEU 45 HD13 LEU 45 9.814 3.210 7.263 377 HD21 LEU 45 HD21 LEU 45 8.946 4.705 5.606 378 HD22 LEU 45 HD22 LEU 45 7.945 4.059 4.308 379 HD23 LEU 45 HD23 LEU 45 9.557 3.404 4.586 380 H ALA 46 H ALA 46 7.974 -1.039 5.050 381 HA ALA 46 HA ALA 46 9.723 -3.223 5.487 382 HB1 ALA 46 HB1 ALA 46 8.216 -2.190 7.890 383 HB2 ALA 46 HB2 ALA 46 9.943 -2.517 7.749 384 HB3 ALA 46 HB3 ALA 46 8.792 -3.853 7.769 385 H LYS 47 H LYS 47 6.757 -1.844 4.802 386 HA LYS 47 HA LYS 47 5.677 -4.335 3.875 387 HB2 LYS 47 HB2 LYS 47 3.496 -3.882 5.316 388 HB3 LYS 47 HB3 LYS 47 4.836 -4.811 5.986 389 HG2 LYS 47 HG2 LYS 47 4.019 -3.065 7.556 390 HG3 LYS 47 HG3 LYS 47 5.707 -2.826 7.109 391 HD2 LYS 47 HD2 LYS 47 5.164 -1.057 5.606 392 HD3 LYS 47 HD3 LYS 47 3.446 -1.454 5.645 393 HE2 LYS 47 HE2 LYS 47 4.939 -0.625 8.137 394 HE3 LYS 47 HE3 LYS 47 4.207 0.559 7.056 395 HZ1 LYS 47 HZ1 LYS 47 2.594 0.077 8.670 396 HZ2 LYS 47 HZ2 LYS 47 2.864 -1.598 8.574 397 HZ3 LYS 47 HZ3 LYS 47 2.106 -0.781 7.291 398 H ASP 48 H ASP 48 3.278 -3.917 3.151 399 HA ASP 48 HA ASP 48 3.377 -1.588 1.418 400 HB2 ASP 48 HB2 ASP 48 1.105 -3.557 1.642 401 HB3 ASP 48 HB3 ASP 48 1.575 -2.576 0.256 402 H ILE 49 H ILE 49 1.802 0.040 1.308 403 HA ILE 49 HA ILE 49 0.262 0.476 3.813 404 HB ILE 49 HB ILE 49 1.096 2.660 1.907 405 HG12 ILE 49 HG12 ILE 49 3.159 1.431 2.514 406 HG13 ILE 49 HG13 ILE 49 3.116 3.024 3.252 407 HG21 ILE 49 HG21 ILE 49 -0.566 3.207 3.612 408 HG22 ILE 49 HG22 ILE 49 0.958 4.012 3.983 409 HG23 ILE 49 HG23 ILE 49 0.485 2.565 4.875 410 HD11 ILE 49 HD11 ILE 49 2.297 2.000 5.371 411 HD12 ILE 49 HD12 ILE 49 3.871 1.375 4.889 412 HD13 ILE 49 HD13 ILE 49 2.425 0.408 4.625 413 H CYS 50 H CYS 50 -1.894 0.859 3.662 414 HA CYS 50 HA CYS 50 -3.120 0.727 0.971 415 HB2 CYS 50 HB2 CYS 50 -4.585 0.500 3.597 416 HB3 CYS 50 HB3 CYS 50 -5.054 -0.116 2.011 417 H ALA 51 H ALA 51 -4.665 2.256 0.312 418 HA ALA 51 HA ALA 51 -5.532 4.397 1.984 419 HB1 ALA 51 HB1 ALA 51 -4.139 6.138 1.406 420 HB2 ALA 51 HB2 ALA 51 -3.724 5.440 -0.159 421 HB3 ALA 51 HB3 ALA 51 -2.985 4.812 1.312 422 H ASP 52 H ASP 52 -7.377 5.165 1.187 423 HA ASP 52 HA ASP 52 -8.279 4.298 -1.424 424 HB2 ASP 52 HB2 ASP 52 -9.610 4.370 0.800 425 HB3 ASP 52 HB3 ASP 52 -9.809 6.085 0.460 426 HA PRO 53 HA PRO 53 -7.238 8.199 -3.409 427 HB2 PRO 53 HB2 PRO 53 -8.867 8.068 -5.610 428 HB3 PRO 53 HB3 PRO 53 -7.379 7.114 -5.445 429 HG2 PRO 53 HG2 PRO 53 -10.212 6.291 -4.963 430 HG3 PRO 53 HG3 PRO 53 -8.905 5.411 -5.783 431 HD2 PRO 53 HD2 PRO 53 -9.619 4.866 -3.224 432 HD3 PRO 53 HD3 PRO 53 -7.943 4.703 -3.785 433 H LYS 54 H LYS 54 -8.373 9.128 -1.429 434 HA LYS 54 HA LYS 54 -10.492 10.920 -2.355 435 HB2 LYS 54 HB2 LYS 54 -10.811 9.253 0.156 436 HB3 LYS 54 HB3 LYS 54 -11.943 10.460 -0.454 437 HG2 LYS 54 HG2 LYS 54 -12.100 9.084 -2.581 438 HG3 LYS 54 HG3 LYS 54 -11.196 7.824 -1.742 439 HD2 LYS 54 HD2 LYS 54 -12.919 7.587 -0.079 440 HD3 LYS 54 HD3 LYS 54 -13.771 9.011 -0.680 441 HE2 LYS 54 HE2 LYS 54 -13.248 6.646 -2.486 442 HE3 LYS 54 HE3 LYS 54 -14.646 6.677 -1.409 443 HZ1 LYS 54 HZ1 LYS 54 -15.626 7.789 -3.057 444 HZ2 LYS 54 HZ2 LYS 54 -14.157 8.159 -3.827 445 HZ3 LYS 54 HZ3 LYS 54 -14.714 9.124 -2.545 446 H LYS 55 H LYS 55 -8.132 9.955 0.062 447 HA LYS 55 HA LYS 55 -8.251 12.502 1.450 448 HB2 LYS 55 HB2 LYS 55 -5.853 10.952 2.052 449 HB3 LYS 55 HB3 LYS 55 -7.196 11.365 3.109 450 HG2 LYS 55 HG2 LYS 55 -8.508 9.479 2.082 451 HG3 LYS 55 HG3 LYS 55 -7.063 9.028 1.188 452 HD2 LYS 55 HD2 LYS 55 -7.065 7.646 3.133 453 HD3 LYS 55 HD3 LYS 55 -5.855 8.890 3.426 454 HE2 LYS 55 HE2 LYS 55 -7.189 10.005 4.996 455 HE3 LYS 55 HE3 LYS 55 -8.687 9.327 4.361 456 HZ1 LYS 55 HZ1 LYS 55 -6.581 7.729 5.704 457 HZ2 LYS 55 HZ2 LYS 55 -8.130 7.204 5.241 458 HZ3 LYS 55 HZ3 LYS 55 -7.953 8.342 6.491 459 H LYS 56 H LYS 56 -6.764 14.151 1.317 460 HA LYS 56 HA LYS 56 -5.762 14.862 -1.125 461 HB2 LYS 56 HB2 LYS 56 -6.023 16.290 0.961 462 HB3 LYS 56 HB3 LYS 56 -4.434 15.700 1.448 463 HG2 LYS 56 HG2 LYS 56 -3.621 16.461 -0.868 464 HG3 LYS 56 HG3 LYS 56 -5.146 17.337 -0.991 465 HD2 LYS 56 HD2 LYS 56 -3.153 17.661 1.271 466 HD3 LYS 56 HD3 LYS 56 -3.299 18.758 -0.101 467 HE2 LYS 56 HE2 LYS 56 -5.778 18.981 0.559 468 HE3 LYS 56 HE3 LYS 56 -5.315 18.224 2.083 469 HZ1 LYS 56 HZ1 LYS 56 -4.528 20.151 2.786 470 HZ2 LYS 56 HZ2 LYS 56 -5.034 20.893 1.343 471 HZ3 LYS 56 HZ3 LYS 56 -3.467 20.246 1.465 472 H TRP 57 H TRP 57 -3.670 13.586 1.523 473 HA TRP 57 HA TRP 57 -1.333 13.573 0.011 474 HB2 TRP 57 HB2 TRP 57 -0.340 12.258 1.685 475 HB3 TRP 57 HB3 TRP 57 -1.566 13.201 2.519 476 HD1 TRP 57 HD1 TRP 57 -3.761 11.930 3.333 477 HE1 TRP 57 HE1 TRP 57 -4.200 9.440 3.836 478 HE3 TRP 57 HE3 TRP 57 0.247 9.819 0.958 479 HZ2 TRP 57 HZ2 TRP 57 -3.012 6.895 3.305 480 HZ3 TRP 57 HZ3 TRP 57 0.567 7.366 0.974 481 HH2 TRP 57 HH2 TRP 57 -1.058 5.900 2.143 482 H VAL 58 H VAL 58 -4.008 11.367 -0.168 483 HA VAL 58 HA VAL 58 -2.503 9.247 -1.415 484 HB VAL 58 HB VAL 58 -5.484 9.779 -1.339 485 HG11 VAL 58 HG11 VAL 58 -5.630 7.357 -1.979 486 HG12 VAL 58 HG12 VAL 58 -3.900 7.372 -2.273 487 HG13 VAL 58 HG13 VAL 58 -4.958 8.371 -3.255 488 HG21 VAL 58 HG21 VAL 58 -5.320 7.789 0.274 489 HG22 VAL 58 HG22 VAL 58 -4.711 9.331 0.868 490 HG23 VAL 58 HG23 VAL 58 -3.585 8.101 0.306 491 H GLN 59 H GLN 59 -4.862 11.641 -2.643 492 HA GLN 59 HA GLN 59 -4.424 10.978 -5.366 493 HB2 GLN 59 HB2 GLN 59 -5.316 13.741 -4.617 494 HB3 GLN 59 HB3 GLN 59 -5.933 12.657 -5.865 495 HG2 GLN 59 HG2 GLN 59 -6.660 11.177 -3.791 496 HG3 GLN 59 HG3 GLN 59 -6.533 12.699 -2.919 497 HE21 GLN 59 HE21 GLN 59 -8.457 10.902 -5.219 498 HE22 GLN 59 HE22 GLN 59 -9.668 12.076 -5.413 499 H ASP 60 H ASP 60 -2.887 13.227 -3.158 500 HA ASP 60 HA ASP 60 -1.415 14.654 -5.158 501 HB2 ASP 60 HB2 ASP 60 -2.010 15.414 -2.771 502 HB3 ASP 60 HB3 ASP 60 -0.642 14.434 -2.253 503 H SER 61 H SER 61 -0.723 11.894 -3.057 504 HA SER 61 HA SER 61 2.034 11.701 -3.450 505 HB2 SER 61 HB2 SER 61 1.502 9.142 -3.095 506 HB3 SER 61 HB3 SER 61 1.228 10.291 -1.789 507 HG SER 61 HG SER 61 -0.600 9.015 -2.079 508 H MET 62 H MET 62 -0.565 10.071 -5.319 509 HA MET 62 HA MET 62 1.260 8.901 -7.174 510 HB2 MET 62 HB2 MET 62 -0.857 8.574 -8.564 511 HB3 MET 62 HB3 MET 62 -0.846 7.827 -6.965 512 HG2 MET 62 HG2 MET 62 -2.234 9.507 -6.054 513 HG3 MET 62 HG3 MET 62 -1.967 10.592 -7.408 514 HE1 MET 62 HE1 MET 62 -4.932 7.212 -6.938 515 HE2 MET 62 HE2 MET 62 -4.205 8.272 -5.735 516 HE3 MET 62 HE3 MET 62 -3.234 7.007 -6.484 517 H LYS 63 H LYS 63 -0.538 11.929 -7.091 518 HA LYS 63 HA LYS 63 -0.207 12.692 -9.778 519 HB2 LYS 63 HB2 LYS 63 -1.728 13.910 -8.340 520 HB3 LYS 63 HB3 LYS 63 -0.414 14.355 -7.255 521 HG2 LYS 63 HG2 LYS 63 -1.090 16.199 -8.814 522 HG3 LYS 63 HG3 LYS 63 0.606 15.748 -8.964 523 HD2 LYS 63 HD2 LYS 63 0.254 14.616 -11.006 524 HD3 LYS 63 HD3 LYS 63 -1.484 14.478 -10.735 525 HE2 LYS 63 HE2 LYS 63 -0.090 17.139 -11.095 526 HE3 LYS 63 HE3 LYS 63 -0.777 16.232 -12.441 527 HZ1 LYS 63 HZ1 LYS 63 -2.637 16.374 -10.323 528 HZ2 LYS 63 HZ2 LYS 63 -2.784 16.958 -11.911 529 HZ3 LYS 63 HZ3 LYS 63 -2.100 17.938 -10.703 530 H TYR 64 H TYR 64 1.823 13.153 -6.923 531 HA TYR 64 HA TYR 64 3.838 14.704 -8.153 532 HB2 TYR 64 HB2 TYR 64 4.204 14.820 -5.900 533 HB3 TYR 64 HB3 TYR 64 3.412 13.278 -5.615 534 HD1 TYR 64 HD2 TYR 64 6.502 14.366 -7.469 535 HD2 TYR 64 HD1 TYR 64 4.801 11.772 -4.495 536 HE1 TYR 64 HE2 TYR 64 8.716 13.307 -7.124 537 HE2 TYR 64 HE1 TYR 64 7.016 10.721 -4.145 538 HH TYR 64 HH TYR 64 9.769 11.505 -6.208 539 H LEU 65 H LEU 65 3.225 11.255 -7.988 540 HA LEU 65 HA LEU 65 5.767 10.465 -9.055 541 HB2 LEU 65 HB2 LEU 65 3.140 9.077 -8.565 542 HB3 LEU 65 HB3 LEU 65 4.395 8.275 -9.507 543 HG LEU 65 HG LEU 65 5.153 9.515 -6.869 544 HD11 LEU 65 HD11 LEU 65 4.657 6.939 -6.094 545 HD12 LEU 65 HD12 LEU 65 3.317 7.206 -7.199 546 HD13 LEU 65 HD13 LEU 65 3.547 8.281 -5.827 547 HD21 LEU 65 HD21 LEU 65 6.077 6.872 -7.987 548 HD22 LEU 65 HD22 LEU 65 6.950 8.008 -6.961 549 HD23 LEU 65 HD23 LEU 65 6.705 8.372 -8.666 550 H ASP 66 H ASP 66 2.871 11.706 -10.377 551 HA ASP 66 HA ASP 66 3.115 10.566 -12.996 552 HB2 ASP 66 HB2 ASP 66 1.033 11.587 -11.848 553 HB3 ASP 66 HB3 ASP 66 1.684 13.141 -12.359 554 H GLN 67 H GLN 67 4.288 13.455 -11.391 555 HA GLN 67 HA GLN 67 5.095 14.905 -13.677 556 HB2 GLN 67 HB2 GLN 67 6.258 14.942 -10.883 557 HB3 GLN 67 HB3 GLN 67 6.506 16.175 -12.122 558 HG2 GLN 67 HG2 GLN 67 3.770 15.366 -11.106 559 HG3 GLN 67 HG3 GLN 67 4.690 16.717 -10.444 560 HE21 GLN 67 HE21 GLN 67 2.368 15.947 -12.765 561 HE22 GLN 67 HE22 GLN 67 2.557 17.300 -13.772 562 H LYS 68 H LYS 68 6.125 11.926 -12.742 563 HA LYS 68 HA LYS 68 8.685 12.244 -14.180 564 HB2 LYS 68 HB2 LYS 68 9.773 10.721 -12.536 565 HB3 LYS 68 HB3 LYS 68 9.312 12.272 -11.835 566 HG2 LYS 68 HG2 LYS 68 7.162 11.163 -11.069 567 HG3 LYS 68 HG3 LYS 68 7.875 9.622 -11.551 568 HD2 LYS 68 HD2 LYS 68 9.117 11.559 -9.573 569 HD3 LYS 68 HD3 LYS 68 8.208 10.116 -9.127 570 HE2 LYS 68 HE2 LYS 68 10.420 9.345 -9.065 571 HE3 LYS 68 HE3 LYS 68 9.917 8.873 -10.686 572 HZ1 LYS 68 HZ1 LYS 68 11.973 10.643 -9.920 573 HZ2 LYS 68 HZ2 LYS 68 10.828 11.489 -10.847 574 HZ3 LYS 68 HZ3 LYS 68 11.568 10.094 -11.473 575 H SER 69 H SER 69 5.924 10.343 -13.277 576 HA SER 69 HA SER 69 5.135 8.303 -14.014 577 HB2 SER 69 HB2 SER 69 4.994 9.657 -16.076 578 HB3 SER 69 HB3 SER 69 6.625 9.147 -16.506 579 HG SER 69 HG SER 69 4.648 7.243 -15.885 580 HA PRO 70 HA PRO 70 9.108 6.035 -13.461 581 HB2 PRO 70 HB2 PRO 70 8.442 4.549 -11.308 582 HB3 PRO 70 HB3 PRO 70 8.885 6.262 -11.152 583 HG2 PRO 70 HG2 PRO 70 6.180 5.001 -11.128 584 HG3 PRO 70 HG3 PRO 70 6.810 6.334 -10.145 585 HD2 PRO 70 HD2 PRO 70 5.220 6.657 -12.418 586 HD3 PRO 70 HD3 PRO 70 6.274 7.917 -11.741 587 H THR 71 H THR 71 9.558 3.654 -13.526 588 HA THR 71 HA THR 71 7.795 2.369 -15.404 589 HB THR 71 HB THR 71 9.527 0.488 -15.159 590 HG1 THR 71 HG1 THR 71 11.437 1.179 -14.113 591 HG21 THR 71 HG21 THR 71 11.317 1.940 -16.277 592 HG22 THR 71 HG22 THR 71 10.225 3.300 -16.012 593 HG23 THR 71 HG23 THR 71 9.721 1.948 -17.028 594 HA PRO 72 HA PRO 72 5.498 0.003 -12.427 595 HB2 PRO 72 HB2 PRO 72 4.742 -2.164 -13.901 596 HB3 PRO 72 HB3 PRO 72 4.082 -0.540 -14.189 597 HG2 PRO 72 HG2 PRO 72 6.266 -1.972 -15.647 598 HG3 PRO 72 HG3 PRO 72 4.914 -1.025 -16.298 599 HD2 PRO 72 HD2 PRO 72 7.430 0.008 -16.048 600 HD3 PRO 72 HD3 PRO 72 5.969 1.009 -15.902 601 H LYS 73 H LYS 73 5.439 -2.135 -11.307 602 HA LYS 73 HA LYS 73 6.595 -3.661 -10.016 603 HB2 LYS 73 HB2 LYS 73 6.176 -4.825 -12.248 604 HB3 LYS 73 HB3 LYS 73 7.858 -4.461 -12.640 605 HG2 LYS 73 HG2 LYS 73 8.621 -5.682 -10.666 606 HG3 LYS 73 HG3 LYS 73 6.953 -5.978 -10.174 607 HD2 LYS 73 HD2 LYS 73 6.588 -7.205 -12.325 608 HD3 LYS 73 HD3 LYS 73 8.302 -7.007 -12.686 609 HE2 LYS 73 HE2 LYS 73 8.874 -8.210 -10.600 610 HE3 LYS 73 HE3 LYS 73 7.158 -8.430 -10.264 611 HZ1 LYS 73 HZ1 LYS 73 8.848 -9.737 -12.245 612 HZ2 LYS 73 HZ2 LYS 73 7.254 -9.388 -12.716 613 HZ3 LYS 73 HZ3 LYS 73 7.546 -10.356 -11.352 614 HA PRO 74 HA PRO 74 10.604 -1.233 -10.295 615 HB2 PRO 74 HB2 PRO 74 10.311 0.318 -8.079 616 HB3 PRO 74 HB3 PRO 74 9.630 0.778 -9.654 617 HG2 PRO 74 HG2 PRO 74 8.273 -0.481 -7.306 618 HG3 PRO 74 HG3 PRO 74 7.709 0.830 -8.360 619 HD2 PRO 74 HD2 PRO 74 6.890 -1.780 -8.650 620 HD3 PRO 74 HD3 PRO 74 6.971 -0.632 -10.006 621 H1 VAL 208 H1 VAL 208 -1.968 -0.288 15.586 622 H2 VAL 208 H2 VAL 208 -3.080 0.891 15.077 623 H3 VAL 208 H3 VAL 208 -3.064 0.379 16.697 624 HA VAL 208 HA VAL 208 -1.384 1.718 17.263 625 HB VAL 208 HB VAL 208 0.504 2.169 15.598 626 HG11 VAL 208 HG11 VAL 208 -0.150 -0.695 16.358 627 HG12 VAL 208 HG12 VAL 208 0.689 0.479 17.370 628 HG13 VAL 208 HG13 VAL 208 1.447 -0.110 15.892 629 HG21 VAL 208 HG21 VAL 208 -0.953 -0.028 14.090 630 HG22 VAL 208 HG22 VAL 208 0.614 0.660 13.663 631 HG23 VAL 208 HG23 VAL 208 -0.840 1.653 13.569 632 H GLU 209 H GLU 209 -3.698 2.800 16.674 633 HA GLU 209 HA GLU 209 -4.750 4.745 16.053 634 HB2 GLU 209 HB2 GLU 209 -2.011 5.825 15.390 635 HB3 GLU 209 HB3 GLU 209 -3.439 6.721 15.910 636 HG2 GLU 209 HG2 GLU 209 -1.861 4.738 17.572 637 HG3 GLU 209 HG3 GLU 209 -1.902 6.485 17.793 638 H THR 210 H THR 210 -1.972 4.895 13.835 639 HA THR 210 HA THR 210 -1.882 5.070 11.543 640 HB THR 210 HB THR 210 -4.173 3.105 11.788 641 HG1 THR 210 HG1 THR 210 -2.611 1.605 11.773 642 HG21 THR 210 HG21 THR 210 -2.460 3.980 9.459 643 HG22 THR 210 HG22 THR 210 -4.220 3.961 9.565 644 HG23 THR 210 HG23 THR 210 -3.326 2.443 9.469 645 H PHE 211 H PHE 211 -5.346 4.466 11.542 646 HA PHE 211 HA PHE 211 -5.923 6.666 9.863 647 HB2 PHE 211 HB2 PHE 211 -7.299 4.515 10.286 648 HB3 PHE 211 HB3 PHE 211 -7.946 5.364 11.688 649 HD1 PHE 211 HD1 PHE 211 -7.686 5.377 7.998 650 HD2 PHE 211 HD2 PHE 211 -9.463 7.236 11.438 651 HE1 PHE 211 HE1 PHE 211 -9.272 6.587 6.525 652 HE2 PHE 211 HE2 PHE 211 -11.047 8.448 9.966 653 HZ PHE 211 HZ PHE 211 -10.952 8.124 7.509 654 H GLY 212 H GLY 212 -4.629 8.231 11.250 655 HA2 GLY 212 HA2 GLY 212 -6.488 9.873 12.744 656 HA3 GLY 212 HA3 GLY 212 -5.183 9.202 13.717 657 H THR 213 H THR 213 -5.979 11.976 12.508 658 HA THR 213 HA THR 213 -3.997 12.841 10.743 659 HB THR 213 HB THR 213 -5.139 14.535 12.966 660 HG1 THR 213 HG1 THR 213 -7.009 14.322 12.072 661 HG21 THR 213 HG21 THR 213 -4.993 16.281 11.197 662 HG22 THR 213 HG22 THR 213 -4.251 15.096 10.123 663 HG23 THR 213 HG23 THR 213 -3.419 15.594 11.596 664 H THR 214 H THR 214 -1.908 12.303 11.103 665 HA THR 214 HA THR 214 -0.443 13.710 13.111 666 HB THR 214 HB THR 214 -0.741 10.716 13.443 667 HG1 THR 214 HG1 THR 214 -1.846 11.221 15.194 668 HG21 THR 214 HG21 THR 214 1.551 11.212 13.840 669 HG22 THR 214 HG22 THR 214 0.798 11.188 15.435 670 HG23 THR 214 HG23 THR 214 1.159 12.727 14.654 671 H SER 215 H SER 215 1.883 13.314 12.942 672 HA SER 215 HA SER 215 2.810 13.205 10.321 673 HB2 SER 215 HB2 SER 215 4.476 12.391 12.700 674 HB3 SER 215 HB3 SER 215 5.007 13.187 11.220 675 HG SER 215 HG SER 215 3.642 14.211 13.438 676 H TYS 216 H TYS 216 4.908 11.459 10.162 677 HA TYS 216 HA TYS 216 4.023 8.755 10.688 678 HB2 TYS 216 HB2 TYS 216 2.995 9.841 8.413 679 HB3 TYS 216 HB1 TYS 216 4.512 9.221 7.776 680 HD1 TYS 216 HD1 TYS 216 4.387 7.068 6.870 681 HD2 TYS 216 HD2 TYS 216 1.852 8.077 10.192 682 HE1 TYS 216 HE1 TYS 216 3.405 4.788 6.826 683 HE2 TYS 216 HE2 TYS 216 0.882 5.798 10.142 684 H TYS 217 H TYS 217 5.836 7.917 11.456 685 HA TYS 217 HA TYS 217 8.035 7.305 11.677 686 HB2 TYS 217 HB2 TYS 217 8.392 8.105 8.787 687 HB3 TYS 217 HB1 TYS 217 9.354 6.958 9.710 688 HD1 TYS 217 HD1 TYS 217 7.147 7.009 7.140 689 HD2 TYS 217 HD2 TYS 217 7.527 5.184 11.019 690 HE1 TYS 217 HE1 TYS 217 5.665 5.159 6.421 691 HE2 TYS 217 HE2 TYS 217 6.038 3.347 10.301 692 H ASP 218 H ASP 218 7.104 10.116 12.026 693 HA ASP 218 HA ASP 218 8.959 12.002 11.163 694 HB2 ASP 218 HB2 ASP 218 6.809 12.388 12.484 695 HB3 ASP 218 HB3 ASP 218 7.746 12.003 13.926 696 H ASP 219 H ASP 219 9.023 10.007 14.111 697 HA ASP 219 HA ASP 219 11.585 10.957 14.957 698 HB2 ASP 219 HB2 ASP 219 9.926 8.558 15.750 699 HB3 ASP 219 HB3 ASP 219 11.470 8.957 16.501 700 H VAL 220 H VAL 220 10.516 8.650 12.662 701 HA VAL 220 HA VAL 220 11.613 7.134 11.328 702 HB VAL 220 HB VAL 220 14.036 8.791 12.075 703 HG11 VAL 220 HG11 VAL 220 14.707 8.021 9.715 704 HG12 VAL 220 HG12 VAL 220 13.420 6.824 9.863 705 HG13 VAL 220 HG13 VAL 220 14.776 6.805 10.992 706 HG21 VAL 220 HG21 VAL 220 12.062 10.082 11.165 707 HG22 VAL 220 HG22 VAL 220 12.158 9.089 9.711 708 HG23 VAL 220 HG23 VAL 220 13.498 10.149 10.143 709 H GLY 221 H GLY 221 13.199 5.358 11.324 710 HA2 GLY 221 HA2 GLY 221 14.322 3.607 12.328 711 HA3 GLY 221 HA3 GLY 221 14.667 4.684 13.680 712 H LEU 222 H LEU 222 11.512 5.039 13.454 713 HA LEU 222 HA LEU 222 10.908 3.357 15.682 714 HB2 LEU 222 HB2 LEU 222 9.768 5.446 15.515 715 HB3 LEU 222 HB3 LEU 222 9.226 5.105 13.875 716 HG LEU 222 HG LEU 222 8.378 3.083 15.905 717 HD11 LEU 222 HD11 LEU 222 8.134 5.128 17.245 718 HD12 LEU 222 HD12 LEU 222 6.552 4.500 16.781 719 HD13 LEU 222 HD13 LEU 222 7.231 5.891 15.937 720 HD21 LEU 222 HD21 LEU 222 6.936 4.647 13.732 721 HD22 LEU 222 HD22 LEU 222 6.214 3.353 14.686 722 HD23 LEU 222 HD23 LEU 222 7.550 3.000 13.595 723 H LEU 223 H LEU 223 10.458 3.152 12.214 724 HA LEU 223 HA LEU 223 8.537 1.188 11.978 725 HB2 LEU 223 HB2 LEU 223 9.400 0.742 9.817 726 HB3 LEU 223 HB3 LEU 223 9.760 2.439 10.123 727 HG LEU 223 HG LEU 223 11.676 0.095 10.316 728 HD11 LEU 223 HD11 LEU 223 11.881 2.636 8.691 729 HD12 LEU 223 HD12 LEU 223 11.108 1.176 8.072 730 HD13 LEU 223 HD13 LEU 223 12.817 1.152 8.509 731 HD21 LEU 223 HD21 LEU 223 12.262 1.503 12.155 732 HD22 LEU 223 HD22 LEU 223 11.939 2.970 11.230 733 HD23 LEU 223 HD23 LEU 223 13.346 1.977 10.849 Start of MODEL 6 1 H1 GLY 1 H1 GLY 1 -0.033 -19.213 -12.142 2 H2 GLY 1 H2 GLY 1 1.239 -18.578 -13.072 3 H3 GLY 1 H3 GLY 1 0.281 -17.546 -12.121 4 HA2 GLY 1 HA2 GLY 1 1.167 -19.283 -10.275 5 HA3 GLY 1 HA3 GLY 1 2.542 -19.178 -11.376 6 HA PRO 2 HA PRO 2 3.596 -15.222 -9.756 7 HB2 PRO 2 HB2 PRO 2 4.276 -13.726 -11.926 8 HB3 PRO 2 HB3 PRO 2 5.227 -15.134 -11.409 9 HG2 PRO 2 HG2 PRO 2 3.189 -14.929 -13.589 10 HG3 PRO 2 HG3 PRO 2 4.762 -15.748 -13.595 11 HD2 PRO 2 HD2 PRO 2 2.385 -17.078 -13.204 12 HD3 PRO 2 HD3 PRO 2 3.930 -17.636 -12.525 13 H ALA 3 H ALA 3 1.973 -14.116 -8.769 14 HA ALA 3 HA ALA 3 0.686 -11.956 -10.111 15 HB1 ALA 3 HB1 ALA 3 -0.761 -13.673 -11.016 16 HB2 ALA 3 HB2 ALA 3 -1.657 -12.771 -9.794 17 HB3 ALA 3 HB3 ALA 3 -1.007 -14.366 -9.414 18 H SER 4 H SER 4 -0.487 -10.602 -8.670 19 HA SER 4 HA SER 4 0.506 -10.562 -6.023 20 HB2 SER 4 HB2 SER 4 -0.868 -8.639 -5.706 21 HB3 SER 4 HB3 SER 4 -0.332 -8.587 -7.382 22 HG SER 4 HG SER 4 -2.849 -9.161 -6.301 23 H VAL 5 H VAL 5 -0.299 -11.298 -4.129 24 HA VAL 5 HA VAL 5 -3.045 -12.277 -3.943 25 HB VAL 5 HB VAL 5 -2.198 -14.480 -3.001 26 HG11 VAL 5 HG11 VAL 5 -2.053 -15.513 -5.181 27 HG12 VAL 5 HG12 VAL 5 -1.540 -13.997 -5.920 28 HG13 VAL 5 HG13 VAL 5 -3.184 -14.167 -5.306 29 HG21 VAL 5 HG21 VAL 5 0.185 -13.561 -2.801 30 HG22 VAL 5 HG22 VAL 5 0.309 -13.786 -4.546 31 HG23 VAL 5 HG23 VAL 5 0.033 -15.175 -3.495 32 HA PRO 6 HA PRO 6 -1.070 -10.520 -0.062 33 HB2 PRO 6 HB2 PRO 6 -2.502 -8.213 0.127 34 HB3 PRO 6 HB3 PRO 6 -1.030 -8.337 -0.858 35 HG2 PRO 6 HG2 PRO 6 -3.892 -8.461 -1.717 36 HG3 PRO 6 HG3 PRO 6 -2.528 -7.613 -2.471 37 HD2 PRO 6 HD2 PRO 6 -3.454 -10.044 -3.363 38 HD3 PRO 6 HD3 PRO 6 -1.763 -9.526 -3.546 39 H THR 7 H THR 7 -2.116 -12.272 1.005 40 HA THR 7 HA THR 7 -4.908 -12.483 1.392 41 HB THR 7 HB THR 7 -4.362 -14.110 3.115 42 HG1 THR 7 HG1 THR 7 -1.836 -12.866 2.939 43 HG21 THR 7 HG21 THR 7 -2.422 -14.173 0.788 44 HG22 THR 7 HG22 THR 7 -4.061 -14.824 0.798 45 HG23 THR 7 HG23 THR 7 -2.816 -15.555 1.811 46 H THR 8 H THR 8 -2.347 -10.924 3.269 47 HA THR 8 HA THR 8 -4.096 -10.183 5.433 48 HB THR 8 HB THR 8 -1.402 -8.985 4.774 49 HG1 THR 8 HG1 THR 8 -0.715 -10.686 6.284 50 HG21 THR 8 HG21 THR 8 -1.330 -8.754 7.265 51 HG22 THR 8 HG22 THR 8 -2.988 -9.351 7.330 52 HG23 THR 8 HG23 THR 8 -2.632 -7.825 6.521 53 H CYS 9 H CYS 9 -2.351 -8.277 2.964 54 HA CYS 9 HA CYS 9 -2.787 -6.206 2.063 55 HB2 CYS 9 HB2 CYS 9 -4.753 -7.660 1.260 56 HB3 CYS 9 HB3 CYS 9 -5.707 -6.828 2.487 57 H CYS 10 H CYS 10 -2.128 -6.031 4.697 58 HA CYS 10 HA CYS 10 -2.378 -4.812 6.642 59 HB2 CYS 10 HB2 CYS 10 -2.493 -2.484 6.258 60 HB3 CYS 10 HB3 CYS 10 -1.806 -3.145 4.775 61 H PHE 11 H PHE 11 -4.096 -2.921 7.533 62 HA PHE 11 HA PHE 11 -6.417 -4.472 8.200 63 HB2 PHE 11 HB2 PHE 11 -5.697 -1.590 8.786 64 HB3 PHE 11 HB3 PHE 11 -7.084 -2.437 9.472 65 HD1 PHE 11 HD1 PHE 11 -3.406 -2.197 9.420 66 HD2 PHE 11 HD2 PHE 11 -6.799 -4.208 11.124 67 HE1 PHE 11 HE1 PHE 11 -1.951 -3.160 11.182 68 HE2 PHE 11 HE2 PHE 11 -5.343 -5.171 12.885 69 HZ PHE 11 HZ PHE 11 -2.919 -4.648 12.914 70 H ASN 12 H ASN 12 -6.217 -1.178 6.848 71 HA ASN 12 HA ASN 12 -8.094 -1.833 4.736 72 HB2 ASN 12 HB2 ASN 12 -8.908 0.324 6.682 73 HB3 ASN 12 HB3 ASN 12 -9.863 -0.404 5.394 74 HD21 ASN 12 HD21 ASN 12 -10.927 -2.416 5.832 75 HD22 ASN 12 HD22 ASN 12 -10.910 -3.145 7.365 76 H LEU 13 H LEU 13 -7.417 1.251 6.372 77 HA LEU 13 HA LEU 13 -5.856 2.135 4.008 78 HB2 LEU 13 HB2 LEU 13 -7.781 3.904 5.530 79 HB3 LEU 13 HB3 LEU 13 -6.952 4.260 4.017 80 HG LEU 13 HG LEU 13 -8.945 1.990 4.308 81 HD11 LEU 13 HD11 LEU 13 -10.194 3.988 4.734 82 HD12 LEU 13 HD12 LEU 13 -10.472 3.579 3.040 83 HD13 LEU 13 HD13 LEU 13 -9.343 4.867 3.464 84 HD21 LEU 13 HD21 LEU 13 -7.664 3.410 1.954 85 HD22 LEU 13 HD22 LEU 13 -9.024 2.301 1.799 86 HD23 LEU 13 HD23 LEU 13 -7.479 1.717 2.403 87 H ALA 14 H ALA 14 -4.557 4.133 4.529 88 HA ALA 14 HA ALA 14 -3.071 3.646 6.955 89 HB1 ALA 14 HB1 ALA 14 -2.642 6.007 5.146 90 HB2 ALA 14 HB2 ALA 14 -2.167 4.388 4.639 91 HB3 ALA 14 HB3 ALA 14 -1.458 5.100 6.087 92 H ASN 15 H ASN 15 -2.430 6.637 7.008 93 HA ASN 15 HA ASN 15 -4.829 7.655 8.399 94 HB2 ASN 15 HB2 ASN 15 -2.034 7.539 9.554 95 HB3 ASN 15 HB3 ASN 15 -3.363 8.459 10.250 96 HD21 ASN 15 HD21 ASN 15 -3.913 7.282 12.106 97 HD22 ASN 15 HD22 ASN 15 -4.272 5.623 12.112 98 H ARG 16 H ARG 16 -1.716 9.126 8.779 99 HA ARG 16 HA ARG 16 -2.650 11.537 7.493 100 HB2 ARG 16 HB2 ARG 16 0.155 11.104 8.498 101 HB3 ARG 16 HB3 ARG 16 -0.787 12.595 8.444 102 HG2 ARG 16 HG2 ARG 16 -2.405 11.309 10.075 103 HG3 ARG 16 HG3 ARG 16 -1.001 10.285 10.366 104 HD2 ARG 16 HD2 ARG 16 -1.118 12.131 12.002 105 HD3 ARG 16 HD3 ARG 16 0.323 12.258 10.997 106 HE ARG 16 HE ARG 16 -1.391 13.812 9.637 107 HH11 ARG 16 HH21 ARG 16 -0.684 13.563 13.017 108 HH12 ARG 16 HH22 ARG 16 -1.031 15.227 13.352 109 HH21 ARG 16 HH11 ARG 16 -1.846 15.992 10.070 110 HH22 ARG 16 HH12 ARG 16 -1.687 16.602 11.684 111 H LYS 17 H LYS 17 -0.063 12.434 6.633 112 HA LYS 17 HA LYS 17 -0.102 11.369 3.929 113 HB2 LYS 17 HB2 LYS 17 0.019 13.740 4.096 114 HB3 LYS 17 HB3 LYS 17 1.326 13.666 5.273 115 HG2 LYS 17 HG2 LYS 17 2.916 13.011 3.652 116 HG3 LYS 17 HG3 LYS 17 1.674 12.525 2.501 117 HD2 LYS 17 HD2 LYS 17 0.985 14.881 2.241 118 HD3 LYS 17 HD3 LYS 17 2.223 15.370 3.397 119 HE2 LYS 17 HE2 LYS 17 3.214 15.726 1.268 120 HE3 LYS 17 HE3 LYS 17 3.905 14.206 1.838 121 HZ1 LYS 17 HZ1 LYS 17 3.058 14.210 -0.509 122 HZ2 LYS 17 HZ2 LYS 17 1.488 14.333 0.128 123 HZ3 LYS 17 HZ3 LYS 17 2.446 12.976 0.480 124 H ILE 18 H ILE 18 1.411 10.111 3.003 125 HA ILE 18 HA ILE 18 3.403 8.871 4.699 126 HB ILE 18 HB ILE 18 2.140 8.361 2.066 127 HG12 ILE 18 HG12 ILE 18 1.625 7.124 4.196 128 HG13 ILE 18 HG13 ILE 18 2.026 6.094 2.833 129 HG21 ILE 18 HG21 ILE 18 5.016 7.574 2.547 130 HG22 ILE 18 HG22 ILE 18 4.343 8.450 1.175 131 HG23 ILE 18 HG23 ILE 18 3.973 6.742 1.397 132 HD11 ILE 18 HD11 ILE 18 3.243 5.139 4.587 133 HD12 ILE 18 HD12 ILE 18 3.669 6.688 5.287 134 HD13 ILE 18 HD13 ILE 18 4.460 6.138 3.817 135 HA PRO 19 HA PRO 19 6.582 11.742 3.393 136 HB2 PRO 19 HB2 PRO 19 8.832 10.286 3.937 137 HB3 PRO 19 HB3 PRO 19 7.826 11.005 5.213 138 HG2 PRO 19 HG2 PRO 19 7.791 8.205 4.155 139 HG3 PRO 19 HG3 PRO 19 7.835 8.762 5.835 140 HD2 PRO 19 HD2 PRO 19 5.528 7.998 4.725 141 HD3 PRO 19 HD3 PRO 19 5.573 9.384 5.832 142 H LEU 20 H LEU 20 6.543 12.039 1.219 143 HA LEU 20 HA LEU 20 6.650 10.179 -0.802 144 HB2 LEU 20 HB2 LEU 20 7.321 13.083 -0.611 145 HB3 LEU 20 HB3 LEU 20 7.835 12.240 -2.070 146 HG LEU 20 HG LEU 20 5.520 11.461 -2.437 147 HD11 LEU 20 HD11 LEU 20 4.936 13.123 0.031 148 HD12 LEU 20 HD12 LEU 20 4.760 11.375 -0.118 149 HD13 LEU 20 HD13 LEU 20 3.708 12.448 -1.039 150 HD21 LEU 20 HD21 LEU 20 4.648 13.551 -3.196 151 HD22 LEU 20 HD22 LEU 20 6.402 13.720 -3.265 152 HD23 LEU 20 HD23 LEU 20 5.498 14.445 -1.936 153 H GLN 21 H GLN 21 9.386 11.786 0.780 154 HA GLN 21 HA GLN 21 11.504 11.054 -0.774 155 HB2 GLN 21 HB2 GLN 21 12.795 10.875 1.438 156 HB3 GLN 21 HB3 GLN 21 11.954 12.393 1.116 157 HG2 GLN 21 HG2 GLN 21 10.062 11.661 2.493 158 HG3 GLN 21 HG3 GLN 21 10.854 10.112 2.780 159 HE21 GLN 21 HE21 GLN 21 11.317 10.283 5.019 160 HE22 GLN 21 HE22 GLN 21 12.271 11.518 5.686 161 H ARG 22 H ARG 22 9.587 8.913 1.232 162 HA ARG 22 HA ARG 22 11.494 6.697 0.803 163 HB2 ARG 22 HB2 ARG 22 9.100 7.036 2.616 164 HB3 ARG 22 HB3 ARG 22 9.961 5.509 2.430 165 HG2 ARG 22 HG2 ARG 22 11.834 6.256 3.567 166 HG3 ARG 22 HG3 ARG 22 11.649 7.917 3.007 167 HD2 ARG 22 HD2 ARG 22 10.079 8.439 4.663 168 HD3 ARG 22 HD3 ARG 22 9.652 6.751 4.938 169 HE ARG 22 HE ARG 22 12.233 6.789 5.709 170 HH11 ARG 22 HH21 ARG 22 9.563 8.894 6.352 171 HH12 ARG 22 HH22 ARG 22 10.126 9.355 7.924 172 HH21 ARG 22 HH11 ARG 22 12.978 7.389 7.768 173 HH22 ARG 22 HH12 ARG 22 12.060 8.503 8.724 174 H LEU 23 H LEU 23 8.355 7.849 -0.131 175 HA LEU 23 HA LEU 23 7.141 5.506 -1.021 176 HB2 LEU 23 HB2 LEU 23 5.986 7.657 -0.809 177 HB3 LEU 23 HB3 LEU 23 6.982 8.336 -2.079 178 HG LEU 23 HG LEU 23 4.526 7.557 -2.583 179 HD11 LEU 23 HD11 LEU 23 6.969 7.458 -4.252 180 HD12 LEU 23 HD12 LEU 23 5.471 8.333 -4.468 181 HD13 LEU 23 HD13 LEU 23 5.564 6.630 -4.914 182 HD21 LEU 23 HD21 LEU 23 4.170 5.313 -3.168 183 HD22 LEU 23 HD22 LEU 23 5.050 5.206 -1.653 184 HD23 LEU 23 HD23 LEU 23 5.881 4.932 -3.178 185 H GLU 24 H GLU 24 7.580 4.134 -2.626 186 HA GLU 24 HA GLU 24 9.640 4.826 -4.613 187 HB2 GLU 24 HB2 GLU 24 10.042 2.750 -3.466 188 HB3 GLU 24 HB3 GLU 24 8.396 2.203 -3.774 189 HG2 GLU 24 HG2 GLU 24 8.797 1.958 -6.105 190 HG3 GLU 24 HG3 GLU 24 10.298 2.879 -6.020 191 H SER 25 H SER 25 6.483 3.130 -4.552 192 HA SER 25 HA SER 25 5.544 4.608 -6.856 193 HB2 SER 25 HB2 SER 25 7.031 2.732 -7.759 194 HB3 SER 25 HB3 SER 25 5.798 1.620 -7.169 195 HG SER 25 HG SER 25 5.812 3.010 -9.418 196 H TYR 26 H TYR 26 3.341 3.532 -7.605 197 HA TYR 26 HA TYR 26 1.882 2.604 -5.190 198 HB2 TYR 26 HB2 TYR 26 -0.007 3.925 -5.778 199 HB3 TYR 26 HB3 TYR 26 1.384 4.997 -5.871 200 HD1 TYR 26 HD2 TYR 26 2.475 5.367 -8.169 201 HD2 TYR 26 HD1 TYR 26 -1.395 3.576 -7.658 202 HE1 TYR 26 HE2 TYR 26 1.938 5.853 -10.541 203 HE2 TYR 26 HE1 TYR 26 -1.932 4.060 -10.030 204 HH TYR 26 HH TYR 26 -0.500 4.424 -12.201 205 H ARG 27 H ARG 27 -0.223 1.521 -5.754 206 HA ARG 27 HA ARG 27 -0.455 0.292 -8.354 207 HB2 ARG 27 HB2 ARG 27 1.359 -0.968 -6.838 208 HB3 ARG 27 HB3 ARG 27 -0.079 -1.716 -6.152 209 HG2 ARG 27 HG2 ARG 27 0.606 -1.652 -9.112 210 HG3 ARG 27 HG3 ARG 27 0.862 -3.031 -8.045 211 HD2 ARG 27 HD2 ARG 27 -1.704 -2.730 -7.510 212 HD3 ARG 27 HD3 ARG 27 -1.721 -1.872 -9.049 213 HE ARG 27 HE ARG 27 -0.414 -4.442 -9.192 214 HH11 ARG 27 HH21 ARG 27 -3.415 -2.721 -9.270 215 HH12 ARG 27 HH22 ARG 27 -4.237 -3.921 -10.209 216 HH21 ARG 27 HH11 ARG 27 -1.486 -6.020 -10.423 217 HH22 ARG 27 HH12 ARG 27 -3.146 -5.789 -10.862 218 H ARG 28 H ARG 28 -2.569 -0.168 -8.722 219 HA ARG 28 HA ARG 28 -4.467 0.339 -6.610 220 HB2 ARG 28 HB2 ARG 28 -4.550 0.806 -9.266 221 HB3 ARG 28 HB3 ARG 28 -5.415 -0.728 -9.227 222 HG2 ARG 28 HG2 ARG 28 -6.776 0.369 -7.271 223 HG3 ARG 28 HG3 ARG 28 -6.135 1.887 -7.900 224 HD2 ARG 28 HD2 ARG 28 -6.996 1.121 -10.192 225 HD3 ARG 28 HD3 ARG 28 -7.890 -0.121 -9.322 226 HE ARG 28 HE ARG 28 -9.385 1.520 -8.673 227 HH11 ARG 28 HH21 ARG 28 -6.360 2.923 -9.597 228 HH12 ARG 28 HH22 ARG 28 -6.913 4.557 -9.444 229 HH21 ARG 28 HH11 ARG 28 -10.118 3.661 -8.469 230 HH22 ARG 28 HH12 ARG 28 -9.040 4.975 -8.805 231 H ILE 29 H ILE 29 -5.962 -1.053 -5.725 232 HA ILE 29 HA ILE 29 -5.363 -3.943 -6.021 233 HB ILE 29 HB ILE 29 -6.914 -3.564 -3.665 234 HG12 ILE 29 HG12 ILE 29 -4.686 -1.509 -3.858 235 HG13 ILE 29 HG13 ILE 29 -6.408 -1.143 -3.831 236 HG21 ILE 29 HG21 ILE 29 -3.914 -3.882 -3.947 237 HG22 ILE 29 HG22 ILE 29 -5.086 -5.196 -4.000 238 HG23 ILE 29 HG23 ILE 29 -4.867 -4.272 -2.516 239 HD11 ILE 29 HD11 ILE 29 -5.435 -0.866 -1.585 240 HD12 ILE 29 HD12 ILE 29 -4.870 -2.535 -1.617 241 HD13 ILE 29 HD13 ILE 29 -6.598 -2.192 -1.600 242 H THR 30 H THR 30 -6.898 -5.231 -6.814 243 HA THR 30 HA THR 30 -9.726 -4.476 -6.641 244 HB THR 30 HB THR 30 -10.105 -4.702 -9.026 245 HG1 THR 30 HG1 THR 30 -7.297 -5.016 -9.235 246 HG21 THR 30 HG21 THR 30 -7.726 -2.873 -8.640 247 HG22 THR 30 HG22 THR 30 -9.344 -2.488 -8.054 248 HG23 THR 30 HG23 THR 30 -9.055 -2.681 -9.783 249 H SER 31 H SER 31 -10.099 -6.502 -8.905 250 HA SER 31 HA SER 31 -10.592 -8.738 -9.071 251 HB2 SER 31 HB2 SER 31 -8.890 -10.255 -8.517 252 HB3 SER 31 HB3 SER 31 -8.015 -8.748 -8.771 253 HG SER 31 HG SER 31 -7.322 -9.100 -6.816 254 H GLY 32 H GLY 32 -11.521 -7.003 -6.721 255 HA2 GLY 32 HA2 GLY 32 -13.156 -7.385 -5.114 256 HA3 GLY 32 HA3 GLY 32 -12.950 -9.117 -5.357 257 H LYS 33 H LYS 33 -9.905 -8.254 -5.005 258 HA LYS 33 HA LYS 33 -9.780 -9.077 -2.244 259 HB2 LYS 33 HB2 LYS 33 -7.620 -8.175 -4.165 260 HB3 LYS 33 HB3 LYS 33 -7.327 -8.849 -2.561 261 HG2 LYS 33 HG2 LYS 33 -8.358 -10.948 -3.185 262 HG3 LYS 33 HG3 LYS 33 -8.878 -10.283 -4.733 263 HD2 LYS 33 HD2 LYS 33 -6.495 -9.938 -5.359 264 HD3 LYS 33 HD3 LYS 33 -6.009 -10.689 -3.837 265 HE2 LYS 33 HE2 LYS 33 -7.792 -12.077 -5.851 266 HE3 LYS 33 HE3 LYS 33 -6.035 -12.238 -5.860 267 HZ1 LYS 33 HZ1 LYS 33 -7.943 -13.068 -3.759 268 HZ2 LYS 33 HZ2 LYS 33 -6.287 -12.873 -3.433 269 HZ3 LYS 33 HZ3 LYS 33 -6.802 -14.016 -4.580 270 H CYS 34 H CYS 34 -8.879 -7.885 -0.518 271 HA CYS 34 HA CYS 34 -8.646 -6.048 0.815 272 HB2 CYS 34 HB2 CYS 34 -7.863 -4.647 -1.749 273 HB3 CYS 34 HB3 CYS 34 -7.464 -4.138 -0.112 274 HA PRO 35 HA PRO 35 -12.517 -3.847 0.895 275 HB2 PRO 35 HB2 PRO 35 -10.884 -1.374 1.410 276 HB3 PRO 35 HB3 PRO 35 -12.323 -1.971 2.263 277 HG2 PRO 35 HG2 PRO 35 -9.893 -2.267 3.300 278 HG3 PRO 35 HG3 PRO 35 -11.125 -3.531 3.470 279 HD2 PRO 35 HD2 PRO 35 -8.687 -3.506 1.747 280 HD3 PRO 35 HD3 PRO 35 -9.555 -4.880 2.469 281 H GLN 36 H GLN 36 -13.376 -1.511 0.079 282 HA GLN 36 HA GLN 36 -13.712 -1.497 -2.595 283 HB2 GLN 36 HB2 GLN 36 -14.011 0.995 -2.446 284 HB3 GLN 36 HB3 GLN 36 -14.896 0.082 -1.223 285 HG2 GLN 36 HG2 GLN 36 -13.039 0.488 0.385 286 HG3 GLN 36 HG3 GLN 36 -12.228 1.471 -0.832 287 HE21 GLN 36 HE21 GLN 36 -15.757 1.448 -0.354 288 HE22 GLN 36 HE22 GLN 36 -15.855 3.047 0.203 289 H LYS 37 H LYS 37 -12.844 -0.194 -4.355 290 HA LYS 37 HA LYS 37 -10.263 -0.639 -5.045 291 HB2 LYS 37 HB2 LYS 37 -11.544 2.003 -5.731 292 HB3 LYS 37 HB3 LYS 37 -10.468 1.015 -6.717 293 HG2 LYS 37 HG2 LYS 37 -13.339 0.405 -5.962 294 HG3 LYS 37 HG3 LYS 37 -12.700 0.716 -7.574 295 HD2 LYS 37 HD2 LYS 37 -11.198 -1.328 -7.214 296 HD3 LYS 37 HD3 LYS 37 -12.213 -1.696 -5.819 297 HE2 LYS 37 HE2 LYS 37 -13.009 -2.891 -7.826 298 HE3 LYS 37 HE3 LYS 37 -14.207 -1.722 -7.269 299 HZ1 LYS 37 HZ1 LYS 37 -13.156 -1.885 -9.784 300 HZ2 LYS 37 HZ2 LYS 37 -12.337 -0.567 -9.091 301 HZ3 LYS 37 HZ3 LYS 37 -14.035 -0.580 -9.150 302 H ALA 38 H ALA 38 -8.265 0.193 -4.662 303 HA ALA 38 HA ALA 38 -7.905 2.729 -3.327 304 HB1 ALA 38 HB1 ALA 38 -6.467 1.369 -1.516 305 HB2 ALA 38 HB2 ALA 38 -7.674 0.136 -1.870 306 HB3 ALA 38 HB3 ALA 38 -8.180 1.714 -1.269 307 H VAL 39 H VAL 39 -5.487 3.056 -2.831 308 HA VAL 39 HA VAL 39 -3.840 1.712 -4.900 309 HB VAL 39 HB VAL 39 -2.794 3.766 -5.458 310 HG11 VAL 39 HG11 VAL 39 -5.193 3.312 -6.273 311 HG12 VAL 39 HG12 VAL 39 -4.602 4.964 -6.418 312 HG13 VAL 39 HG13 VAL 39 -5.695 4.534 -5.104 313 HG21 VAL 39 HG21 VAL 39 -4.236 4.836 -3.024 314 HG22 VAL 39 HG22 VAL 39 -3.565 5.901 -4.260 315 HG23 VAL 39 HG23 VAL 39 -2.500 4.830 -3.348 316 H ILE 40 H ILE 40 -2.129 0.716 -4.141 317 HA ILE 40 HA ILE 40 -1.369 1.068 -1.350 318 HB ILE 40 HB ILE 40 -0.565 -0.934 -3.467 319 HG12 ILE 40 HG12 ILE 40 -2.126 -1.321 -0.902 320 HG13 ILE 40 HG13 ILE 40 -2.893 -1.013 -2.460 321 HG21 ILE 40 HG21 ILE 40 0.446 -2.162 -1.488 322 HG22 ILE 40 HG22 ILE 40 0.307 -0.658 -0.581 323 HG23 ILE 40 HG23 ILE 40 1.333 -0.735 -2.012 324 HD11 ILE 40 HD11 ILE 40 -0.992 -3.303 -1.887 325 HD12 ILE 40 HD12 ILE 40 -1.828 -3.006 -3.410 326 HD13 ILE 40 HD13 ILE 40 -2.747 -3.445 -1.970 327 H PHE 41 H PHE 41 0.032 2.738 -0.969 328 HA PHE 41 HA PHE 41 2.149 3.362 -2.887 329 HB2 PHE 41 HB2 PHE 41 1.601 4.513 -0.131 330 HB3 PHE 41 HB3 PHE 41 2.788 5.116 -1.278 331 HD1 PHE 41 HD2 PHE 41 1.860 5.691 -3.697 332 HD2 PHE 41 HD1 PHE 41 -0.538 5.437 -0.144 333 HE1 PHE 41 HE2 PHE 41 0.118 7.096 -4.770 334 HE2 PHE 41 HE1 PHE 41 -2.256 6.836 -1.206 335 HZ PHE 41 HZ PHE 41 -1.944 7.672 -3.521 336 H LYS 42 H LYS 42 4.008 2.235 -2.873 337 HA LYS 42 HA LYS 42 4.783 0.786 -0.413 338 HB2 LYS 42 HB2 LYS 42 6.430 -0.307 -2.122 339 HB3 LYS 42 HB3 LYS 42 4.726 -0.756 -2.165 340 HG2 LYS 42 HG2 LYS 42 4.292 0.658 -4.033 341 HG3 LYS 42 HG3 LYS 42 5.845 1.478 -3.864 342 HD2 LYS 42 HD2 LYS 42 5.778 -0.228 -5.724 343 HD3 LYS 42 HD3 LYS 42 7.047 -0.508 -4.533 344 HE2 LYS 42 HE2 LYS 42 4.348 -1.819 -4.224 345 HE3 LYS 42 HE3 LYS 42 5.577 -2.528 -5.270 346 HZ1 LYS 42 HZ1 LYS 42 6.953 -1.934 -3.019 347 HZ2 LYS 42 HZ2 LYS 42 6.333 -3.466 -3.413 348 HZ3 LYS 42 HZ3 LYS 42 5.451 -2.424 -2.402 349 H THR 43 H THR 43 6.527 1.328 0.711 350 HA THR 43 HA THR 43 8.452 3.263 -0.455 351 HB THR 43 HB THR 43 7.876 4.739 1.173 352 HG1 THR 43 HG1 THR 43 8.376 2.804 3.152 353 HG21 THR 43 HG21 THR 43 5.650 3.730 1.256 354 HG22 THR 43 HG22 THR 43 6.161 4.196 2.879 355 HG23 THR 43 HG23 THR 43 6.227 2.503 2.386 356 H LYS 44 H LYS 44 10.434 3.319 1.217 357 HA LYS 44 HA LYS 44 11.534 0.633 1.104 358 HB2 LYS 44 HB2 LYS 44 12.786 3.211 2.077 359 HB3 LYS 44 HB3 LYS 44 13.633 1.703 1.736 360 HG2 LYS 44 HG2 LYS 44 12.946 1.824 -0.619 361 HG3 LYS 44 HG3 LYS 44 12.049 3.307 -0.292 362 HD2 LYS 44 HD2 LYS 44 14.146 4.420 0.401 363 HD3 LYS 44 HD3 LYS 44 15.041 2.942 0.047 364 HE2 LYS 44 HE2 LYS 44 15.232 4.439 -1.860 365 HE3 LYS 44 HE3 LYS 44 14.216 3.072 -2.316 366 HZ1 LYS 44 HZ1 LYS 44 12.273 4.368 -2.024 367 HZ2 LYS 44 HZ2 LYS 44 13.340 5.298 -2.965 368 HZ3 LYS 44 HZ3 LYS 44 13.135 5.645 -1.314 369 H LEU 45 H LEU 45 9.419 1.669 3.162 370 HA LEU 45 HA LEU 45 10.647 1.567 5.704 371 HB2 LEU 45 HB2 LEU 45 7.894 1.544 4.635 372 HB3 LEU 45 HB3 LEU 45 8.050 0.656 6.143 373 HG LEU 45 HG LEU 45 7.447 2.972 6.594 374 HD11 LEU 45 HD11 LEU 45 9.386 1.618 7.913 375 HD12 LEU 45 HD12 LEU 45 8.834 3.220 8.389 376 HD13 LEU 45 HD13 LEU 45 10.304 3.049 7.437 377 HD21 LEU 45 HD21 LEU 45 8.187 4.261 4.797 378 HD22 LEU 45 HD22 LEU 45 9.806 3.567 4.816 379 HD23 LEU 45 HD23 LEU 45 9.328 4.723 6.056 380 H ALA 46 H ALA 46 8.234 -0.884 5.004 381 HA ALA 46 HA ALA 46 9.918 -3.115 4.724 382 HB1 ALA 46 HB1 ALA 46 9.541 -4.037 7.102 383 HB2 ALA 46 HB2 ALA 46 9.215 -2.366 7.558 384 HB3 ALA 46 HB3 ALA 46 10.789 -2.808 6.899 385 H LYS 47 H LYS 47 7.010 -1.653 4.725 386 HA LYS 47 HA LYS 47 5.613 -4.156 4.236 387 HB2 LYS 47 HB2 LYS 47 3.967 -3.988 5.886 388 HB3 LYS 47 HB3 LYS 47 5.432 -3.553 6.753 389 HG2 LYS 47 HG2 LYS 47 3.375 -1.610 5.632 390 HG3 LYS 47 HG3 LYS 47 3.612 -2.010 7.323 391 HD2 LYS 47 HD2 LYS 47 5.663 -0.670 5.533 392 HD3 LYS 47 HD3 LYS 47 4.699 0.127 6.771 393 HE2 LYS 47 HE2 LYS 47 6.962 -1.825 7.112 394 HE3 LYS 47 HE3 LYS 47 6.697 -0.281 7.916 395 HZ1 LYS 47 HZ1 LYS 47 5.514 -2.901 8.484 396 HZ2 LYS 47 HZ2 LYS 47 4.589 -1.513 8.803 397 HZ3 LYS 47 HZ3 LYS 47 6.098 -1.724 9.555 398 H ASP 48 H ASP 48 3.387 -3.773 3.408 399 HA ASP 48 HA ASP 48 3.451 -1.579 1.493 400 HB2 ASP 48 HB2 ASP 48 1.266 -3.630 1.831 401 HB3 ASP 48 HB3 ASP 48 1.688 -2.711 0.389 402 H ILE 49 H ILE 49 2.133 0.171 1.478 403 HA ILE 49 HA ILE 49 0.413 0.612 3.850 404 HB ILE 49 HB ILE 49 1.326 2.710 1.882 405 HG12 ILE 49 HG12 ILE 49 3.348 1.566 2.635 406 HG13 ILE 49 HG13 ILE 49 3.235 3.136 3.419 407 HG21 ILE 49 HG21 ILE 49 -0.435 3.361 3.438 408 HG22 ILE 49 HG22 ILE 49 1.071 4.159 3.892 409 HG23 ILE 49 HG23 ILE 49 0.507 2.756 4.801 410 HD11 ILE 49 HD11 ILE 49 2.609 0.427 4.619 411 HD12 ILE 49 HD12 ILE 49 2.154 1.941 5.397 412 HD13 ILE 49 HD13 ILE 49 3.853 1.566 5.124 413 H CYS 50 H CYS 50 -1.750 0.846 3.619 414 HA CYS 50 HA CYS 50 -2.889 0.714 0.889 415 HB2 CYS 50 HB2 CYS 50 -4.354 0.357 3.505 416 HB3 CYS 50 HB3 CYS 50 -4.856 -0.161 1.896 417 H ALA 51 H ALA 51 -4.583 2.148 0.263 418 HA ALA 51 HA ALA 51 -5.485 4.269 1.952 419 HB1 ALA 51 HB1 ALA 51 -3.837 5.393 -0.269 420 HB2 ALA 51 HB2 ALA 51 -2.977 4.751 1.126 421 HB3 ALA 51 HB3 ALA 51 -4.155 6.041 1.342 422 H ASP 52 H ASP 52 -7.181 5.420 1.057 423 HA ASP 52 HA ASP 52 -8.210 4.393 -1.504 424 HB2 ASP 52 HB2 ASP 52 -9.645 4.116 0.462 425 HB3 ASP 52 HB3 ASP 52 -9.590 5.853 0.759 426 HA PRO 53 HA PRO 53 -7.400 8.421 -3.334 427 HB2 PRO 53 HB2 PRO 53 -9.130 8.340 -5.466 428 HB3 PRO 53 HB3 PRO 53 -7.591 7.454 -5.422 429 HG2 PRO 53 HG2 PRO 53 -10.356 6.467 -4.851 430 HG3 PRO 53 HG3 PRO 53 -9.052 5.701 -5.784 431 HD2 PRO 53 HD2 PRO 53 -9.598 4.964 -3.241 432 HD3 PRO 53 HD3 PRO 53 -7.940 4.957 -3.881 433 H LYS 54 H LYS 54 -8.377 9.360 -1.362 434 HA LYS 54 HA LYS 54 -10.572 11.105 -2.091 435 HB2 LYS 54 HB2 LYS 54 -10.935 8.798 -0.278 436 HB3 LYS 54 HB3 LYS 54 -11.456 10.321 0.432 437 HG2 LYS 54 HG2 LYS 54 -12.955 10.751 -1.414 438 HG3 LYS 54 HG3 LYS 54 -12.334 9.373 -2.312 439 HD2 LYS 54 HD2 LYS 54 -13.588 9.057 0.421 440 HD3 LYS 54 HD3 LYS 54 -14.563 9.052 -1.046 441 HE2 LYS 54 HE2 LYS 54 -12.898 7.213 -1.872 442 HE3 LYS 54 HE3 LYS 54 -12.474 7.066 -0.166 443 HZ1 LYS 54 HZ1 LYS 54 -14.607 5.901 -1.433 444 HZ2 LYS 54 HZ2 LYS 54 -15.290 7.168 -0.531 445 HZ3 LYS 54 HZ3 LYS 54 -14.345 5.984 0.240 446 H LYS 55 H LYS 55 -8.184 9.990 0.233 447 HA LYS 55 HA LYS 55 -8.190 12.460 1.731 448 HB2 LYS 55 HB2 LYS 55 -5.754 10.884 2.075 449 HB3 LYS 55 HB3 LYS 55 -7.016 11.237 3.247 450 HG2 LYS 55 HG2 LYS 55 -8.410 9.410 2.186 451 HG3 LYS 55 HG3 LYS 55 -7.013 9.000 1.201 452 HD2 LYS 55 HD2 LYS 55 -6.765 7.518 2.991 453 HD3 LYS 55 HD3 LYS 55 -5.753 8.861 3.505 454 HE2 LYS 55 HE2 LYS 55 -7.260 8.030 5.315 455 HE3 LYS 55 HE3 LYS 55 -7.542 9.724 4.925 456 HZ1 LYS 55 HZ1 LYS 55 -9.085 7.679 3.499 457 HZ2 LYS 55 HZ2 LYS 55 -9.526 9.264 3.929 458 HZ3 LYS 55 HZ3 LYS 55 -9.511 8.034 5.102 459 H LYS 56 H LYS 56 -6.834 14.180 1.484 460 HA LYS 56 HA LYS 56 -5.983 14.964 -0.975 461 HB2 LYS 56 HB2 LYS 56 -6.138 16.334 1.164 462 HB3 LYS 56 HB3 LYS 56 -4.501 15.782 1.518 463 HG2 LYS 56 HG2 LYS 56 -3.906 16.618 -0.857 464 HG3 LYS 56 HG3 LYS 56 -5.446 17.478 -0.797 465 HD2 LYS 56 HD2 LYS 56 -3.121 17.781 1.126 466 HD3 LYS 56 HD3 LYS 56 -3.699 18.979 -0.032 467 HE2 LYS 56 HE2 LYS 56 -4.658 19.662 2.020 468 HE3 LYS 56 HE3 LYS 56 -5.965 18.802 1.207 469 HZ1 LYS 56 HZ1 LYS 56 -5.959 17.210 2.745 470 HZ2 LYS 56 HZ2 LYS 56 -5.037 18.272 3.698 471 HZ3 LYS 56 HZ3 LYS 56 -4.268 17.084 2.758 472 H TRP 57 H TRP 57 -3.683 13.681 1.490 473 HA TRP 57 HA TRP 57 -1.449 13.784 -0.164 474 HB2 TRP 57 HB2 TRP 57 -0.346 12.336 1.363 475 HB3 TRP 57 HB3 TRP 57 -1.446 13.332 2.310 476 HD1 TRP 57 HD1 TRP 57 -3.727 12.169 3.152 477 HE1 TRP 57 HE1 TRP 57 -4.238 9.707 3.696 478 HE3 TRP 57 HE3 TRP 57 0.168 9.888 0.741 479 HZ2 TRP 57 HZ2 TRP 57 -3.156 7.116 3.174 480 HZ3 TRP 57 HZ3 TRP 57 0.399 7.424 0.786 481 HH2 TRP 57 HH2 TRP 57 -1.253 6.038 2.004 482 H VAL 58 H VAL 58 -3.875 11.204 0.086 483 HA VAL 58 HA VAL 58 -2.513 9.249 -1.388 484 HB VAL 58 HB VAL 58 -5.475 9.860 -1.228 485 HG11 VAL 58 HG11 VAL 58 -5.139 8.590 -3.251 486 HG12 VAL 58 HG12 VAL 58 -5.721 7.470 -2.022 487 HG13 VAL 58 HG13 VAL 58 -4.017 7.504 -2.450 488 HG21 VAL 58 HG21 VAL 58 -3.591 8.018 0.249 489 HG22 VAL 58 HG22 VAL 58 -5.325 7.722 0.215 490 HG23 VAL 58 HG23 VAL 58 -4.696 9.210 0.911 491 H GLN 59 H GLN 59 -4.854 11.673 -2.568 492 HA GLN 59 HA GLN 59 -4.519 11.057 -5.298 493 HB2 GLN 59 HB2 GLN 59 -5.255 13.833 -4.415 494 HB3 GLN 59 HB3 GLN 59 -5.914 12.865 -5.734 495 HG2 GLN 59 HG2 GLN 59 -6.698 11.281 -3.738 496 HG3 GLN 59 HG3 GLN 59 -6.545 12.758 -2.796 497 HE21 GLN 59 HE21 GLN 59 -8.650 11.023 -4.848 498 HE22 GLN 59 HE22 GLN 59 -9.758 12.272 -5.151 499 H ASP 60 H ASP 60 -2.773 13.216 -3.148 500 HA ASP 60 HA ASP 60 -1.353 14.588 -5.220 501 HB2 ASP 60 HB2 ASP 60 -1.772 15.412 -2.848 502 HB3 ASP 60 HB3 ASP 60 -0.486 14.316 -2.346 503 H SER 61 H SER 61 -0.769 11.645 -3.378 504 HA SER 61 HA SER 61 2.010 11.455 -3.966 505 HB2 SER 61 HB2 SER 61 1.368 10.116 -2.169 506 HB3 SER 61 HB3 SER 61 -0.069 9.521 -2.998 507 HG SER 61 HG SER 61 1.504 8.540 -4.507 508 H MET 62 H MET 62 -0.821 9.820 -5.463 509 HA MET 62 HA MET 62 0.699 8.487 -7.443 510 HB2 MET 62 HB2 MET 62 -1.582 8.502 -8.700 511 HB3 MET 62 HB3 MET 62 -1.458 7.624 -7.177 512 HG2 MET 62 HG2 MET 62 -2.617 9.273 -5.985 513 HG3 MET 62 HG3 MET 62 -2.316 10.511 -7.201 514 HE1 MET 62 HE1 MET 62 -5.266 7.037 -7.276 515 HE2 MET 62 HE2 MET 62 -4.970 8.031 -5.852 516 HE3 MET 62 HE3 MET 62 -3.653 7.091 -6.551 517 H LYS 63 H LYS 63 -0.911 11.638 -7.393 518 HA LYS 63 HA LYS 63 -0.461 12.331 -10.092 519 HB2 LYS 63 HB2 LYS 63 -2.030 13.597 -8.752 520 HB3 LYS 63 HB3 LYS 63 -0.765 14.039 -7.609 521 HG2 LYS 63 HG2 LYS 63 -1.333 15.868 -9.228 522 HG3 LYS 63 HG3 LYS 63 0.360 15.389 -9.290 523 HD2 LYS 63 HD2 LYS 63 0.087 14.229 -11.328 524 HD3 LYS 63 HD3 LYS 63 -1.663 14.122 -11.139 525 HE2 LYS 63 HE2 LYS 63 -0.149 16.716 -11.550 526 HE3 LYS 63 HE3 LYS 63 -0.954 15.822 -12.839 527 HZ1 LYS 63 HZ1 LYS 63 -2.079 17.649 -11.067 528 HZ2 LYS 63 HZ2 LYS 63 -2.727 16.127 -10.680 529 HZ3 LYS 63 HZ3 LYS 63 -2.866 16.736 -12.260 530 H TYR 64 H TYR 64 1.434 12.796 -7.150 531 HA TYR 64 HA TYR 64 3.523 14.339 -8.221 532 HB2 TYR 64 HB2 TYR 64 3.643 14.297 -5.916 533 HB3 TYR 64 HB3 TYR 64 3.084 12.631 -5.819 534 HD1 TYR 64 HD1 TYR 64 5.990 14.190 -7.619 535 HD2 TYR 64 HD2 TYR 64 4.681 11.392 -4.630 536 HE1 TYR 64 HE1 TYR 64 8.327 13.424 -7.307 537 HE2 TYR 64 HE2 TYR 64 7.018 10.634 -4.316 538 HH TYR 64 HH TYR 64 9.102 10.649 -5.304 539 H LEU 65 H LEU 65 3.107 10.823 -7.966 540 HA LEU 65 HA LEU 65 5.630 10.143 -9.065 541 HB2 LEU 65 HB2 LEU 65 3.037 8.616 -8.854 542 HB3 LEU 65 HB3 LEU 65 4.537 7.894 -9.429 543 HG LEU 65 HG LEU 65 4.521 9.367 -6.793 544 HD11 LEU 65 HD11 LEU 65 3.589 7.662 -5.564 545 HD12 LEU 65 HD12 LEU 65 4.083 6.411 -6.700 546 HD13 LEU 65 HD13 LEU 65 2.680 7.403 -7.042 547 HD21 LEU 65 HD21 LEU 65 6.540 8.185 -8.249 548 HD22 LEU 65 HD22 LEU 65 6.081 6.862 -7.187 549 HD23 LEU 65 HD23 LEU 65 6.579 8.405 -6.505 550 H ASP 66 H ASP 66 2.717 11.259 -10.465 551 HA ASP 66 HA ASP 66 2.892 10.091 -13.028 552 HB2 ASP 66 HB2 ASP 66 0.965 11.419 -11.932 553 HB3 ASP 66 HB3 ASP 66 1.803 12.853 -12.518 554 H GLN 67 H GLN 67 4.442 12.891 -11.583 555 HA GLN 67 HA GLN 67 5.400 14.088 -13.961 556 HB2 GLN 67 HB2 GLN 67 6.715 14.164 -11.239 557 HB3 GLN 67 HB3 GLN 67 6.872 15.350 -12.536 558 HG2 GLN 67 HG2 GLN 67 4.486 15.893 -12.356 559 HG3 GLN 67 HG3 GLN 67 4.290 14.676 -11.096 560 HE21 GLN 67 HE21 GLN 67 4.025 15.819 -9.165 561 HE22 GLN 67 HE22 GLN 67 5.020 17.097 -8.659 562 H LYS 68 H LYS 68 7.058 11.948 -11.625 563 HA LYS 68 HA LYS 68 9.311 11.604 -13.421 564 HB2 LYS 68 HB2 LYS 68 10.171 10.099 -11.657 565 HB3 LYS 68 HB3 LYS 68 9.711 11.678 -11.020 566 HG2 LYS 68 HG2 LYS 68 7.466 10.681 -10.416 567 HG3 LYS 68 HG3 LYS 68 8.117 9.105 -10.856 568 HD2 LYS 68 HD2 LYS 68 9.540 10.872 -8.857 569 HD3 LYS 68 HD3 LYS 68 8.226 9.810 -8.359 570 HE2 LYS 68 HE2 LYS 68 9.457 7.883 -9.382 571 HE3 LYS 68 HE3 LYS 68 10.804 8.972 -9.717 572 HZ1 LYS 68 HZ1 LYS 68 10.249 9.428 -7.101 573 HZ2 LYS 68 HZ2 LYS 68 11.501 8.441 -7.688 574 HZ3 LYS 68 HZ3 LYS 68 10.011 7.754 -7.246 575 H SER 69 H SER 69 6.318 10.009 -12.771 576 HA SER 69 HA SER 69 5.423 8.005 -13.491 577 HB2 SER 69 HB2 SER 69 5.692 7.608 -15.847 578 HB3 SER 69 HB3 SER 69 5.666 9.351 -15.591 579 HG SER 69 HG SER 69 7.386 8.568 -16.974 580 HA PRO 70 HA PRO 70 9.102 5.403 -12.538 581 HB2 PRO 70 HB2 PRO 70 8.168 4.142 -10.347 582 HB3 PRO 70 HB3 PRO 70 8.759 5.815 -10.269 583 HG2 PRO 70 HG2 PRO 70 5.952 4.804 -10.333 584 HG3 PRO 70 HG3 PRO 70 6.643 6.152 -9.413 585 HD2 PRO 70 HD2 PRO 70 5.230 6.411 -11.823 586 HD3 PRO 70 HD3 PRO 70 6.314 7.645 -11.144 587 H THR 71 H THR 71 9.398 3.523 -13.602 588 HA THR 71 HA THR 71 8.940 1.599 -14.774 589 HB THR 71 HB THR 71 7.703 -0.083 -13.586 590 HG1 THR 71 HG1 THR 71 6.139 1.890 -12.981 591 HG21 THR 71 HG21 THR 71 8.822 -0.042 -11.470 592 HG22 THR 71 HG22 THR 71 8.900 1.721 -11.474 593 HG23 THR 71 HG23 THR 71 9.882 0.792 -12.607 594 HA PRO 72 HA PRO 72 4.967 3.447 -16.467 595 HB2 PRO 72 HB2 PRO 72 5.971 4.627 -18.704 596 HB3 PRO 72 HB3 PRO 72 5.970 5.439 -17.125 597 HG2 PRO 72 HG2 PRO 72 8.200 4.005 -18.508 598 HG3 PRO 72 HG3 PRO 72 8.229 5.545 -17.626 599 HD2 PRO 72 HD2 PRO 72 9.057 3.170 -16.513 600 HD3 PRO 72 HD3 PRO 72 8.383 4.506 -15.553 601 H LYS 73 H LYS 73 4.939 0.959 -16.617 602 HA LYS 73 HA LYS 73 4.491 0.230 -19.345 603 HB2 LYS 73 HB2 LYS 73 6.163 -1.768 -19.141 604 HB3 LYS 73 HB3 LYS 73 6.787 -0.180 -19.585 605 HG2 LYS 73 HG2 LYS 73 7.455 0.257 -17.289 606 HG3 LYS 73 HG3 LYS 73 6.707 -1.247 -16.749 607 HD2 LYS 73 HD2 LYS 73 8.266 -2.460 -18.355 608 HD3 LYS 73 HD3 LYS 73 9.121 -0.928 -18.546 609 HE2 LYS 73 HE2 LYS 73 10.274 -2.120 -16.820 610 HE3 LYS 73 HE3 LYS 73 9.331 -0.871 -16.008 611 HZ1 LYS 73 HZ1 LYS 73 9.230 -3.602 -15.574 612 HZ2 LYS 73 HZ2 LYS 73 7.772 -3.202 -16.347 613 HZ3 LYS 73 HZ3 LYS 73 8.216 -2.416 -14.909 614 HA PRO 74 HA PRO 74 1.790 -2.528 -17.160 615 HB2 PRO 74 HB2 PRO 74 1.273 -4.429 -19.051 616 HB3 PRO 74 HB3 PRO 74 0.649 -2.771 -19.169 617 HG2 PRO 74 HG2 PRO 74 3.030 -3.990 -20.508 618 HG3 PRO 74 HG3 PRO 74 1.783 -2.925 -21.185 619 HD2 PRO 74 HD2 PRO 74 4.231 -1.993 -20.417 620 HD3 PRO 74 HD3 PRO 74 2.759 -1.000 -20.317 621 H1 VAL 208 H1 VAL 208 -17.287 13.991 12.012 622 H2 VAL 208 H2 VAL 208 -17.309 13.919 10.314 623 H3 VAL 208 H3 VAL 208 -15.866 14.283 11.133 624 HA VAL 208 HA VAL 208 -17.078 11.781 11.913 625 HB VAL 208 HB VAL 208 -17.593 11.803 9.494 626 HG11 VAL 208 HG11 VAL 208 -15.700 13.418 8.960 627 HG12 VAL 208 HG12 VAL 208 -15.873 12.065 7.842 628 HG13 VAL 208 HG13 VAL 208 -14.606 12.040 9.068 629 HG21 VAL 208 HG21 VAL 208 -15.195 10.030 10.020 630 HG22 VAL 208 HG22 VAL 208 -16.573 9.695 8.974 631 HG23 VAL 208 HG23 VAL 208 -16.782 9.721 10.725 632 H GLU 209 H GLU 209 -15.344 10.215 12.247 633 HA GLU 209 HA GLU 209 -12.943 11.495 13.223 634 HB2 GLU 209 HB2 GLU 209 -14.069 9.628 14.432 635 HB3 GLU 209 HB3 GLU 209 -13.628 8.548 13.107 636 HG2 GLU 209 HG2 GLU 209 -11.257 8.984 13.491 637 HG3 GLU 209 HG3 GLU 209 -11.651 10.157 14.747 638 H THR 210 H THR 210 -12.013 12.275 11.260 639 HA THR 210 HA THR 210 -11.427 10.742 8.995 640 HB THR 210 HB THR 210 -11.168 13.128 8.906 641 HG1 THR 210 HG1 THR 210 -9.243 13.178 7.896 642 HG21 THR 210 HG21 THR 210 -10.652 13.648 11.189 643 HG22 THR 210 HG22 THR 210 -9.284 14.202 10.224 644 HG23 THR 210 HG23 THR 210 -9.169 12.695 11.135 645 H PHE 211 H PHE 211 -9.427 9.793 8.297 646 HA PHE 211 HA PHE 211 -8.214 8.176 10.338 647 HB2 PHE 211 HB2 PHE 211 -8.654 7.835 7.662 648 HB3 PHE 211 HB3 PHE 211 -6.954 8.279 7.630 649 HD1 PHE 211 HD2 PHE 211 -6.164 7.089 10.343 650 HD2 PHE 211 HD1 PHE 211 -8.495 5.531 7.086 651 HE1 PHE 211 HE2 PHE 211 -5.590 4.776 11.031 652 HE2 PHE 211 HE1 PHE 211 -7.911 3.223 7.772 653 HZ PHE 211 HZ PHE 211 -6.459 2.846 9.744 654 H GLY 212 H GLY 212 -7.018 9.430 11.751 655 HA2 GLY 212 HA2 GLY 212 -4.483 10.463 10.722 656 HA3 GLY 212 HA3 GLY 212 -5.541 11.640 11.492 657 H THR 213 H THR 213 -3.209 11.441 12.660 658 HA THR 213 HA THR 213 -3.816 10.317 15.255 659 HB THR 213 HB THR 213 -1.476 9.261 13.650 660 HG1 THR 213 HG1 THR 213 -2.707 7.596 13.365 661 HG21 THR 213 HG21 THR 213 -1.179 7.853 15.767 662 HG22 THR 213 HG22 THR 213 -2.240 9.016 16.562 663 HG23 THR 213 HG23 THR 213 -0.703 9.548 15.882 664 H THR 214 H THR 214 -0.605 10.863 13.894 665 HA THR 214 HA THR 214 -0.418 13.570 14.871 666 HB THR 214 HB THR 214 1.088 11.373 16.312 667 HG1 THR 214 HG1 THR 214 -0.095 12.187 18.083 668 HG21 THR 214 HG21 THR 214 1.286 14.387 16.366 669 HG22 THR 214 HG22 THR 214 2.580 13.212 16.126 670 HG23 THR 214 HG23 THR 214 1.834 13.390 17.714 671 H SER 215 H SER 215 2.264 11.315 14.954 672 HA SER 215 HA SER 215 3.332 12.507 12.448 673 HB2 SER 215 HB2 SER 215 4.726 11.665 14.992 674 HB3 SER 215 HB3 SER 215 5.587 11.931 13.479 675 HG SER 215 HG SER 215 3.984 13.982 13.796 676 H TYS 216 H TYS 216 3.782 11.121 10.839 677 HA TYS 216 HA TYS 216 3.290 8.297 11.254 678 HB2 TYS 216 HB2 TYS 216 2.853 9.952 9.131 679 HB3 TYS 216 HB1 TYS 216 4.374 9.216 8.623 680 HD1 TYS 216 HD1 TYS 216 4.260 7.166 7.488 681 HD2 TYS 216 HD2 TYS 216 1.076 8.251 10.157 682 HE1 TYS 216 HE1 TYS 216 3.045 5.090 6.886 683 HE2 TYS 216 HE2 TYS 216 -0.140 6.179 9.544 684 H TYS 217 H TYS 217 6.077 10.282 10.227 685 HA TYS 217 HA TYS 217 7.885 8.327 11.422 686 HB2 TYS 217 HB2 TYS 217 7.941 9.015 8.477 687 HB3 TYS 217 HB1 TYS 217 9.302 8.294 9.330 688 HD1 TYS 217 HD1 TYS 217 8.538 6.183 10.900 689 HD2 TYS 217 HD2 TYS 217 6.555 7.525 7.329 690 HE1 TYS 217 HE1 TYS 217 7.535 3.938 10.606 691 HE2 TYS 217 HE2 TYS 217 5.556 5.275 7.037 692 H ASP 218 H ASP 218 7.397 10.777 12.425 693 HA ASP 218 HA ASP 218 9.182 12.777 11.376 694 HB2 ASP 218 HB2 ASP 218 7.169 13.427 12.607 695 HB3 ASP 218 HB3 ASP 218 7.764 12.596 14.044 696 H ASP 219 H ASP 219 9.362 10.206 13.726 697 HA ASP 219 HA ASP 219 11.727 11.123 15.050 698 HB2 ASP 219 HB2 ASP 219 10.371 8.430 14.887 699 HB3 ASP 219 HB3 ASP 219 11.833 8.712 15.833 700 H VAL 220 H VAL 220 11.045 9.210 12.213 701 HA VAL 220 HA VAL 220 12.373 8.470 10.504 702 HB VAL 220 HB VAL 220 14.697 9.923 11.772 703 HG11 VAL 220 HG11 VAL 220 15.381 10.153 9.411 704 HG12 VAL 220 HG12 VAL 220 13.933 9.280 8.908 705 HG13 VAL 220 HG13 VAL 220 15.175 8.457 9.850 706 HG21 VAL 220 HG21 VAL 220 13.897 11.826 10.226 707 HG22 VAL 220 HG22 VAL 220 12.990 11.588 11.719 708 HG23 VAL 220 HG23 VAL 220 12.346 10.988 10.191 709 H GLY 221 H GLY 221 13.830 8.295 13.728 710 HA2 GLY 221 HA2 GLY 221 15.594 6.142 13.183 711 HA3 GLY 221 HA3 GLY 221 15.008 6.615 14.776 712 H LEU 222 H LEU 222 12.242 6.303 13.263 713 HA LEU 222 HA LEU 222 11.715 3.666 14.311 714 HB2 LEU 222 HB2 LEU 222 10.005 5.340 14.583 715 HB3 LEU 222 HB3 LEU 222 10.007 5.699 12.859 716 HG LEU 222 HG LEU 222 9.067 3.533 12.334 717 HD11 LEU 222 HD11 LEU 222 8.438 2.029 14.350 718 HD12 LEU 222 HD12 LEU 222 9.636 2.964 15.245 719 HD13 LEU 222 HD13 LEU 222 10.121 2.032 13.828 720 HD21 LEU 222 HD21 LEU 222 7.700 4.831 14.709 721 HD22 LEU 222 HD22 LEU 222 6.936 3.646 13.651 722 HD23 LEU 222 HD23 LEU 222 7.439 5.209 13.006 723 H LEU 223 H LEU 223 12.840 2.179 13.075 724 HA LEU 223 HA LEU 223 11.620 1.275 10.691 725 HB2 LEU 223 HB2 LEU 223 12.655 3.132 9.578 726 HB3 LEU 223 HB3 LEU 223 14.194 2.834 10.382 727 HG LEU 223 HG LEU 223 14.539 0.797 9.144 728 HD11 LEU 223 HD11 LEU 223 12.748 0.168 7.388 729 HD12 LEU 223 HD12 LEU 223 11.658 1.193 8.322 730 HD13 LEU 223 HD13 LEU 223 12.399 -0.221 9.071 731 HD21 LEU 223 HD21 LEU 223 15.075 2.879 7.942 732 HD22 LEU 223 HD22 LEU 223 13.428 2.948 7.314 733 HD23 LEU 223 HD23 LEU 223 14.507 1.644 6.818 Start of MODEL 7 1 H1 GLY 1 H1 GLY 1 3.529 -15.054 -10.536 2 H2 GLY 1 H2 GLY 1 3.300 -16.729 -10.715 3 H3 GLY 1 H3 GLY 1 4.856 -16.106 -10.437 4 HA2 GLY 1 HA2 GLY 1 3.207 -17.090 -8.532 5 HA3 GLY 1 HA3 GLY 1 4.580 -16.021 -8.241 6 HA PRO 2 HA PRO 2 0.449 -13.305 -8.769 7 HB2 PRO 2 HB2 PRO 2 -1.272 -15.429 -7.521 8 HB3 PRO 2 HB3 PRO 2 -1.697 -14.209 -8.740 9 HG2 PRO 2 HG2 PRO 2 -1.288 -16.736 -9.440 10 HG3 PRO 2 HG3 PRO 2 -0.723 -15.405 -10.467 11 HD2 PRO 2 HD2 PRO 2 0.869 -17.212 -8.684 12 HD3 PRO 2 HD3 PRO 2 1.335 -16.451 -10.223 13 H ALA 3 H ALA 3 0.616 -11.845 -7.168 14 HA ALA 3 HA ALA 3 -0.080 -12.337 -4.473 15 HB1 ALA 3 HB1 ALA 3 2.874 -12.319 -5.108 16 HB2 ALA 3 HB2 ALA 3 1.963 -13.565 -4.254 17 HB3 ALA 3 HB3 ALA 3 2.231 -11.993 -3.499 18 H SER 4 H SER 4 0.380 -10.444 -3.076 19 HA SER 4 HA SER 4 1.337 -8.014 -4.284 20 HB2 SER 4 HB2 SER 4 -0.786 -6.796 -4.224 21 HB3 SER 4 HB3 SER 4 -0.901 -8.172 -5.319 22 HG SER 4 HG SER 4 -2.661 -7.849 -3.731 23 H VAL 5 H VAL 5 -0.294 -9.696 -1.681 24 HA VAL 5 HA VAL 5 1.115 -8.055 0.276 25 HB VAL 5 HB VAL 5 -1.090 -7.793 1.573 26 HG11 VAL 5 HG11 VAL 5 -1.624 -5.718 0.434 27 HG12 VAL 5 HG12 VAL 5 -0.851 -6.285 -1.046 28 HG13 VAL 5 HG13 VAL 5 0.124 -5.942 0.383 29 HG21 VAL 5 HG21 VAL 5 -3.134 -7.932 0.345 30 HG22 VAL 5 HG22 VAL 5 -2.268 -9.430 -0.000 31 HG23 VAL 5 HG23 VAL 5 -2.282 -8.125 -1.187 32 HA PRO 6 HA PRO 6 1.229 -12.037 2.232 33 HB2 PRO 6 HB2 PRO 6 1.741 -11.372 4.829 34 HB3 PRO 6 HB3 PRO 6 2.946 -11.173 3.539 35 HG2 PRO 6 HG2 PRO 6 1.137 -9.128 4.762 36 HG3 PRO 6 HG3 PRO 6 2.860 -9.006 4.360 37 HD2 PRO 6 HD2 PRO 6 0.909 -7.978 2.747 38 HD3 PRO 6 HD3 PRO 6 2.447 -8.598 2.109 39 H THR 7 H THR 7 0.069 -10.538 5.142 40 HA THR 7 HA THR 7 -2.204 -12.315 5.245 41 HB THR 7 HB THR 7 -2.631 -11.130 7.430 42 HG1 THR 7 HG1 THR 7 -1.334 -9.528 8.017 43 HG21 THR 7 HG21 THR 7 -1.195 -13.177 7.183 44 HG22 THR 7 HG22 THR 7 -0.739 -12.153 8.544 45 HG23 THR 7 HG23 THR 7 0.209 -12.117 7.056 46 H THR 8 H THR 8 -3.538 -11.663 3.529 47 HA THR 8 HA THR 8 -5.150 -10.422 2.454 48 HB THR 8 HB THR 8 -6.788 -9.387 3.891 49 HG1 THR 8 HG1 THR 8 -6.015 -9.410 6.251 50 HG21 THR 8 HG21 THR 8 -7.237 -11.207 5.422 51 HG22 THR 8 HG22 THR 8 -5.544 -11.699 5.399 52 HG23 THR 8 HG23 THR 8 -6.535 -11.886 3.953 53 H CYS 9 H CYS 9 -6.118 -7.804 3.239 54 HA CYS 9 HA CYS 9 -4.182 -6.200 1.862 55 HB2 CYS 9 HB2 CYS 9 -6.822 -5.605 3.193 56 HB3 CYS 9 HB3 CYS 9 -5.825 -4.331 2.491 57 H CYS 10 H CYS 10 -5.702 -4.658 4.533 58 HA CYS 10 HA CYS 10 -3.546 -4.896 6.406 59 HB2 CYS 10 HB2 CYS 10 -2.568 -2.733 6.216 60 HB3 CYS 10 HB3 CYS 10 -2.598 -3.389 4.579 61 H PHE 11 H PHE 11 -3.881 -2.316 7.588 62 HA PHE 11 HA PHE 11 -6.317 -2.775 9.038 63 HB2 PHE 11 HB2 PHE 11 -4.464 -0.381 9.119 64 HB3 PHE 11 HB3 PHE 11 -5.680 -0.806 10.325 65 HD1 PHE 11 HD2 PHE 11 -5.382 -2.757 11.792 66 HD2 PHE 11 HD1 PHE 11 -2.379 -1.620 8.938 67 HE1 PHE 11 HE2 PHE 11 -3.741 -4.227 12.932 68 HE2 PHE 11 HE1 PHE 11 -0.739 -3.090 10.078 69 HZ PHE 11 HZ PHE 11 -1.420 -4.394 12.074 70 H ASN 12 H ASN 12 -6.172 -1.927 6.056 71 HA ASN 12 HA ASN 12 -7.632 -0.865 4.639 72 HB2 ASN 12 HB2 ASN 12 -9.135 0.374 6.921 73 HB3 ASN 12 HB3 ASN 12 -9.743 -0.255 5.392 74 HD21 ASN 12 HD21 ASN 12 -10.666 -0.984 8.130 75 HD22 ASN 12 HD22 ASN 12 -10.417 -2.657 8.272 76 H LEU 13 H LEU 13 -6.857 0.791 3.552 77 HA LEU 13 HA LEU 13 -5.876 2.804 3.053 78 HB2 LEU 13 HB2 LEU 13 -7.391 4.054 5.329 79 HB3 LEU 13 HB3 LEU 13 -7.111 4.671 3.700 80 HG LEU 13 HG LEU 13 -8.994 2.449 4.530 81 HD11 LEU 13 HD11 LEU 13 -9.865 4.705 4.841 82 HD12 LEU 13 HD12 LEU 13 -10.669 3.956 3.461 83 HD13 LEU 13 HD13 LEU 13 -9.392 5.144 3.200 84 HD21 LEU 13 HD21 LEU 13 -7.910 3.221 1.821 85 HD22 LEU 13 HD22 LEU 13 -9.554 2.594 1.958 86 HD23 LEU 13 HD23 LEU 13 -8.194 1.613 2.482 87 H ALA 14 H ALA 14 -5.388 4.998 4.893 88 HA ALA 14 HA ALA 14 -3.687 4.011 7.007 89 HB1 ALA 14 HB1 ALA 14 -2.337 5.458 4.725 90 HB2 ALA 14 HB2 ALA 14 -2.324 3.702 4.888 91 HB3 ALA 14 HB3 ALA 14 -1.579 4.709 6.131 92 H ASN 15 H ASN 15 -3.523 5.505 8.566 93 HA ASN 15 HA ASN 15 -4.881 8.011 8.273 94 HB2 ASN 15 HB2 ASN 15 -3.943 8.390 10.622 95 HB3 ASN 15 HB3 ASN 15 -5.012 7.004 10.415 96 HD21 ASN 15 HD21 ASN 15 -4.207 5.116 11.325 97 HD22 ASN 15 HD22 ASN 15 -2.560 4.762 11.540 98 H ARG 16 H ARG 16 -3.945 10.113 8.615 99 HA ARG 16 HA ARG 16 -2.437 11.782 8.172 100 HB2 ARG 16 HB2 ARG 16 -0.257 9.762 8.689 101 HB3 ARG 16 HB3 ARG 16 -0.212 11.508 8.938 102 HG2 ARG 16 HG2 ARG 16 -2.147 11.137 10.610 103 HG3 ARG 16 HG3 ARG 16 -1.709 9.430 10.540 104 HD2 ARG 16 HD2 ARG 16 0.636 10.064 11.153 105 HD3 ARG 16 HD3 ARG 16 0.091 11.727 11.358 106 HE ARG 16 HE ARG 16 -0.830 11.104 13.391 107 HH11 ARG 16 HH21 ARG 16 -0.232 8.331 11.410 108 HH12 ARG 16 HH22 ARG 16 -0.639 7.188 12.645 109 HH21 ARG 16 HH11 ARG 16 -1.367 9.612 15.017 110 HH22 ARG 16 HH12 ARG 16 -1.281 7.913 14.688 111 H LYS 17 H LYS 17 0.356 10.503 7.152 112 HA LYS 17 HA LYS 17 -0.371 9.741 4.457 113 HB2 LYS 17 HB2 LYS 17 0.772 11.637 3.373 114 HB3 LYS 17 HB3 LYS 17 -0.632 12.169 4.298 115 HG2 LYS 17 HG2 LYS 17 0.866 12.748 6.195 116 HG3 LYS 17 HG3 LYS 17 2.257 12.283 5.214 117 HD2 LYS 17 HD2 LYS 17 1.383 13.973 3.478 118 HD3 LYS 17 HD3 LYS 17 0.341 14.578 4.767 119 HE2 LYS 17 HE2 LYS 17 3.356 14.565 4.643 120 HE3 LYS 17 HE3 LYS 17 2.274 15.930 4.919 121 HZ1 LYS 17 HZ1 LYS 17 3.340 15.184 6.965 122 HZ2 LYS 17 HZ2 LYS 17 2.656 13.641 6.773 123 HZ3 LYS 17 HZ3 LYS 17 1.658 14.989 7.043 124 H ILE 18 H ILE 18 1.387 8.975 3.233 125 HA ILE 18 HA ILE 18 3.641 8.102 4.842 126 HB ILE 18 HB ILE 18 2.349 7.330 2.290 127 HG12 ILE 18 HG12 ILE 18 2.183 6.047 4.446 128 HG13 ILE 18 HG13 ILE 18 2.705 5.086 3.071 129 HG21 ILE 18 HG21 ILE 18 5.342 7.127 2.597 130 HG22 ILE 18 HG22 ILE 18 4.420 7.778 1.244 131 HG23 ILE 18 HG23 ILE 18 4.425 6.043 1.553 132 HD11 ILE 18 HD11 ILE 18 5.132 5.629 3.937 133 HD12 ILE 18 HD12 ILE 18 4.187 4.408 4.755 134 HD13 ILE 18 HD13 ILE 18 4.313 6.012 5.443 135 HA PRO 19 HA PRO 19 6.220 11.462 3.366 136 HB2 PRO 19 HB2 PRO 19 8.716 10.324 3.688 137 HB3 PRO 19 HB3 PRO 19 7.758 10.980 5.029 138 HG2 PRO 19 HG2 PRO 19 8.029 8.148 4.113 139 HG3 PRO 19 HG3 PRO 19 8.066 8.798 5.757 140 HD2 PRO 19 HD2 PRO 19 5.861 7.632 4.786 141 HD3 PRO 19 HD3 PRO 19 5.742 9.041 5.858 142 H LEU 20 H LEU 20 6.621 12.045 1.309 143 HA LEU 20 HA LEU 20 6.539 10.240 -0.844 144 HB2 LEU 20 HB2 LEU 20 7.126 13.147 -0.505 145 HB3 LEU 20 HB3 LEU 20 7.645 12.410 -2.018 146 HG LEU 20 HG LEU 20 5.351 11.572 -2.398 147 HD11 LEU 20 HD11 LEU 20 4.618 11.327 -0.086 148 HD12 LEU 20 HD12 LEU 20 3.528 12.432 -0.923 149 HD13 LEU 20 HD13 LEU 20 4.756 13.066 0.173 150 HD21 LEU 20 HD21 LEU 20 4.395 13.677 -3.018 151 HD22 LEU 20 HD22 LEU 20 6.142 13.894 -3.120 152 HD23 LEU 20 HD23 LEU 20 5.254 14.523 -1.732 153 H GLN 21 H GLN 21 9.276 11.777 0.794 154 HA GLN 21 HA GLN 21 11.353 11.176 -0.905 155 HB2 GLN 21 HB2 GLN 21 12.735 10.988 1.259 156 HB3 GLN 21 HB3 GLN 21 11.860 12.493 0.975 157 HG2 GLN 21 HG2 GLN 21 10.053 11.776 2.431 158 HG3 GLN 21 HG3 GLN 21 10.796 10.189 2.629 159 HE21 GLN 21 HE21 GLN 21 12.078 13.565 2.844 160 HE22 GLN 21 HE22 GLN 21 12.796 13.341 4.366 161 H ARG 22 H ARG 22 9.655 8.947 1.233 162 HA ARG 22 HA ARG 22 11.587 6.801 0.618 163 HB2 ARG 22 HB2 ARG 22 9.282 6.974 2.567 164 HB3 ARG 22 HB3 ARG 22 10.257 5.528 2.324 165 HG2 ARG 22 HG2 ARG 22 12.113 6.422 3.379 166 HG3 ARG 22 HG3 ARG 22 11.768 8.063 2.842 167 HD2 ARG 22 HD2 ARG 22 10.296 8.474 4.603 168 HD3 ARG 22 HD3 ARG 22 9.927 6.769 4.836 169 HE ARG 22 HE ARG 22 12.024 8.226 6.109 170 HH11 ARG 22 HH21 ARG 22 11.186 5.171 4.717 171 HH12 ARG 22 HH22 ARG 22 12.286 4.265 5.701 172 HH21 ARG 22 HH11 ARG 22 13.469 7.044 7.404 173 HH22 ARG 22 HH12 ARG 22 13.578 5.325 7.223 174 H LEU 23 H LEU 23 8.496 7.961 -0.283 175 HA LEU 23 HA LEU 23 7.206 5.600 -1.073 176 HB2 LEU 23 HB2 LEU 23 6.061 7.746 -0.859 177 HB3 LEU 23 HB3 LEU 23 7.052 8.430 -2.129 178 HG LEU 23 HG LEU 23 4.591 7.673 -2.627 179 HD11 LEU 23 HD11 LEU 23 5.624 6.735 -4.966 180 HD12 LEU 23 HD12 LEU 23 7.022 7.569 -4.309 181 HD13 LEU 23 HD13 LEU 23 5.520 8.436 -4.525 182 HD21 LEU 23 HD21 LEU 23 5.915 5.037 -3.245 183 HD22 LEU 23 HD22 LEU 23 4.208 5.433 -3.210 184 HD23 LEU 23 HD23 LEU 23 5.108 5.313 -1.706 185 H GLU 24 H GLU 24 7.626 4.197 -2.657 186 HA GLU 24 HA GLU 24 9.666 4.850 -4.672 187 HB2 GLU 24 HB2 GLU 24 10.023 2.771 -3.499 188 HB3 GLU 24 HB3 GLU 24 8.374 2.249 -3.837 189 HG2 GLU 24 HG2 GLU 24 8.810 2.018 -6.167 190 HG3 GLU 24 HG3 GLU 24 10.329 2.905 -6.044 191 H SER 25 H SER 25 6.499 3.177 -4.596 192 HA SER 25 HA SER 25 5.554 4.672 -6.883 193 HB2 SER 25 HB2 SER 25 6.759 3.125 -8.189 194 HB3 SER 25 HB3 SER 25 6.360 1.782 -7.121 195 HG SER 25 HG SER 25 4.991 2.790 -9.232 196 H TYR 26 H TYR 26 3.336 3.769 -7.595 197 HA TYR 26 HA TYR 26 1.863 2.812 -5.196 198 HB2 TYR 26 HB2 TYR 26 -0.030 4.104 -5.892 199 HB3 TYR 26 HB3 TYR 26 1.367 5.175 -5.931 200 HD1 TYR 26 HD2 TYR 26 2.594 5.459 -8.190 201 HD2 TYR 26 HD1 TYR 26 -1.348 3.795 -7.822 202 HE1 TYR 26 HE2 TYR 26 2.177 5.922 -10.590 203 HE2 TYR 26 HE1 TYR 26 -1.767 4.258 -10.223 204 HH TYR 26 HH TYR 26 -0.282 4.549 -12.323 205 H ARG 27 H ARG 27 -0.288 1.786 -5.826 206 HA ARG 27 HA ARG 27 -0.568 0.520 -8.364 207 HB2 ARG 27 HB2 ARG 27 1.391 -0.746 -7.335 208 HB3 ARG 27 HB3 ARG 27 0.252 -1.332 -6.124 209 HG2 ARG 27 HG2 ARG 27 -1.140 -1.876 -8.444 210 HG3 ARG 27 HG3 ARG 27 0.519 -2.093 -8.993 211 HD2 ARG 27 HD2 ARG 27 0.818 -3.539 -6.867 212 HD3 ARG 27 HD3 ARG 27 -0.941 -3.552 -6.796 213 HE ARG 27 HE ARG 27 -0.929 -5.043 -8.568 214 HH11 ARG 27 HH21 ARG 27 2.077 -3.339 -8.384 215 HH12 ARG 27 HH22 ARG 27 2.836 -4.264 -9.634 216 HH21 ARG 27 HH11 ARG 27 0.060 -6.261 -10.210 217 HH22 ARG 27 HH12 ARG 27 1.694 -5.919 -10.669 218 H ARG 28 H ARG 28 -2.572 -0.488 -8.556 219 HA ARG 28 HA ARG 28 -4.440 0.066 -6.396 220 HB2 ARG 28 HB2 ARG 28 -4.591 -0.053 -9.222 221 HB3 ARG 28 HB3 ARG 28 -5.599 -1.380 -8.656 222 HG2 ARG 28 HG2 ARG 28 -6.773 0.234 -7.132 223 HG3 ARG 28 HG3 ARG 28 -5.828 1.538 -7.852 224 HD2 ARG 28 HD2 ARG 28 -7.968 -0.158 -9.108 225 HD3 ARG 28 HD3 ARG 28 -7.790 1.593 -9.127 226 HE ARG 28 HE ARG 28 -5.600 0.744 -10.498 227 HH11 ARG 28 HH21 ARG 28 -8.989 0.062 -10.674 228 HH12 ARG 28 HH22 ARG 28 -8.980 -0.234 -12.381 229 HH21 ARG 28 HH11 ARG 28 -5.581 0.356 -12.735 230 HH22 ARG 28 HH12 ARG 28 -7.051 -0.067 -13.548 231 H ILE 29 H ILE 29 -5.853 -1.503 -5.479 232 HA ILE 29 HA ILE 29 -4.569 -4.129 -5.173 233 HB ILE 29 HB ILE 29 -6.983 -3.404 -3.545 234 HG12 ILE 29 HG12 ILE 29 -4.282 -2.052 -3.210 235 HG13 ILE 29 HG13 ILE 29 -5.797 -1.256 -3.630 236 HG21 ILE 29 HG21 ILE 29 -5.505 -5.494 -3.321 237 HG22 ILE 29 HG22 ILE 29 -5.829 -4.591 -1.841 238 HG23 ILE 29 HG23 ILE 29 -4.276 -4.417 -2.657 239 HD11 ILE 29 HD11 ILE 29 -5.160 -2.674 -1.032 240 HD12 ILE 29 HD12 ILE 29 -6.763 -2.086 -1.469 241 HD13 ILE 29 HD13 ILE 29 -5.433 -0.948 -1.264 242 H THR 30 H THR 30 -7.989 -3.112 -5.165 243 HA THR 30 HA THR 30 -9.855 -4.275 -5.910 244 HB THR 30 HB THR 30 -9.824 -4.524 -8.389 245 HG1 THR 30 HG1 THR 30 -7.802 -5.106 -8.879 246 HG21 THR 30 HG21 THR 30 -9.639 -2.181 -8.839 247 HG22 THR 30 HG22 THR 30 -8.489 -1.952 -7.522 248 HG23 THR 30 HG23 THR 30 -10.178 -2.318 -7.165 249 H SER 31 H SER 31 -7.964 -6.008 -4.622 250 HA SER 31 HA SER 31 -8.844 -8.538 -5.755 251 HB2 SER 31 HB2 SER 31 -6.483 -9.443 -5.733 252 HB3 SER 31 HB3 SER 31 -6.828 -8.297 -7.025 253 HG SER 31 HG SER 31 -5.337 -7.072 -6.219 254 H GLY 32 H GLY 32 -7.527 -10.335 -4.333 255 HA2 GLY 32 HA2 GLY 32 -7.582 -11.339 -2.255 256 HA3 GLY 32 HA3 GLY 32 -6.737 -9.883 -1.734 257 H LYS 33 H LYS 33 -9.787 -9.261 -3.084 258 HA LYS 33 HA LYS 33 -11.777 -8.536 -2.204 259 HB2 LYS 33 HB2 LYS 33 -11.714 -10.938 -1.321 260 HB3 LYS 33 HB3 LYS 33 -11.175 -10.246 0.209 261 HG2 LYS 33 HG2 LYS 33 -13.187 -8.864 0.335 262 HG3 LYS 33 HG3 LYS 33 -13.715 -9.447 -1.243 263 HD2 LYS 33 HD2 LYS 33 -13.896 -11.726 -0.382 264 HD3 LYS 33 HD3 LYS 33 -13.269 -11.209 1.184 265 HE2 LYS 33 HE2 LYS 33 -15.210 -9.689 1.445 266 HE3 LYS 33 HE3 LYS 33 -15.846 -10.254 -0.099 267 HZ1 LYS 33 HZ1 LYS 33 -15.223 -12.100 2.129 268 HZ2 LYS 33 HZ2 LYS 33 -16.163 -12.403 0.746 269 HZ3 LYS 33 HZ3 LYS 33 -16.743 -11.367 1.961 270 H CYS 34 H CYS 34 -9.980 -6.658 -1.950 271 HA CYS 34 HA CYS 34 -9.390 -5.888 0.731 272 HB2 CYS 34 HB2 CYS 34 -8.479 -5.149 -1.751 273 HB3 CYS 34 HB3 CYS 34 -9.417 -3.735 -1.297 274 HA PRO 35 HA PRO 35 -13.208 -4.151 2.233 275 HB2 PRO 35 HB2 PRO 35 -11.558 -1.650 2.547 276 HB3 PRO 35 HB3 PRO 35 -12.719 -2.376 3.679 277 HG2 PRO 35 HG2 PRO 35 -10.085 -2.704 3.988 278 HG3 PRO 35 HG3 PRO 35 -11.235 -3.999 4.373 279 HD2 PRO 35 HD2 PRO 35 -9.310 -3.835 2.119 280 HD3 PRO 35 HD3 PRO 35 -10.097 -5.262 2.824 281 H GLN 36 H GLN 36 -11.247 -2.198 0.015 282 HA GLN 36 HA GLN 36 -13.342 -1.838 -1.853 283 HB2 GLN 36 HB2 GLN 36 -13.629 0.635 -1.562 284 HB3 GLN 36 HB3 GLN 36 -14.309 -0.319 -0.242 285 HG2 GLN 36 HG2 GLN 36 -12.174 0.041 1.033 286 HG3 GLN 36 HG3 GLN 36 -11.647 1.131 -0.248 287 HE21 GLN 36 HE21 GLN 36 -13.271 2.998 -0.719 288 HE22 GLN 36 HE22 GLN 36 -14.066 3.669 0.621 289 H LYS 37 H LYS 37 -12.665 -0.656 -3.717 290 HA LYS 37 HA LYS 37 -10.086 -0.998 -4.561 291 HB2 LYS 37 HB2 LYS 37 -11.980 -0.328 -6.019 292 HB3 LYS 37 HB3 LYS 37 -11.883 1.304 -5.359 293 HG2 LYS 37 HG2 LYS 37 -9.746 1.689 -6.310 294 HG3 LYS 37 HG3 LYS 37 -9.477 -0.029 -6.608 295 HD2 LYS 37 HD2 LYS 37 -10.065 1.264 -8.680 296 HD3 LYS 37 HD3 LYS 37 -11.182 -0.057 -8.334 297 HE2 LYS 37 HE2 LYS 37 -12.844 1.423 -7.504 298 HE3 LYS 37 HE3 LYS 37 -11.702 2.760 -7.373 299 HZ1 LYS 37 HZ1 LYS 37 -13.152 2.952 -9.319 300 HZ2 LYS 37 HZ2 LYS 37 -12.541 1.484 -9.920 301 HZ3 LYS 37 HZ3 LYS 37 -11.518 2.831 -9.757 302 H ALA 38 H ALA 38 -8.161 0.041 -4.374 303 HA ALA 38 HA ALA 38 -7.957 2.739 -3.394 304 HB1 ALA 38 HB1 ALA 38 -8.115 2.085 -1.195 305 HB2 ALA 38 HB2 ALA 38 -6.416 1.670 -1.423 306 HB3 ALA 38 HB3 ALA 38 -7.652 0.424 -1.559 307 H VAL 39 H VAL 39 -5.561 3.278 -2.972 308 HA VAL 39 HA VAL 39 -3.868 1.809 -4.921 309 HB VAL 39 HB VAL 39 -2.858 3.852 -5.572 310 HG11 VAL 39 HG11 VAL 39 -5.750 4.636 -5.198 311 HG12 VAL 39 HG12 VAL 39 -5.271 3.367 -6.327 312 HG13 VAL 39 HG13 VAL 39 -4.677 5.011 -6.547 313 HG21 VAL 39 HG21 VAL 39 -3.657 6.032 -4.423 314 HG22 VAL 39 HG22 VAL 39 -2.506 5.024 -3.546 315 HG23 VAL 39 HG23 VAL 39 -4.219 4.981 -3.122 316 H ILE 40 H ILE 40 -2.224 0.802 -4.040 317 HA ILE 40 HA ILE 40 -1.439 1.348 -1.292 318 HB ILE 40 HB ILE 40 -0.933 -0.851 -3.285 319 HG12 ILE 40 HG12 ILE 40 -1.881 -0.974 -0.414 320 HG13 ILE 40 HG13 ILE 40 -2.979 -0.736 -1.774 321 HG21 ILE 40 HG21 ILE 40 0.453 -1.944 -1.433 322 HG22 ILE 40 HG22 ILE 40 0.600 -0.335 -0.731 323 HG23 ILE 40 HG23 ILE 40 1.243 -0.656 -2.338 324 HD11 ILE 40 HD11 ILE 40 -2.869 -3.117 -1.228 325 HD12 ILE 40 HD12 ILE 40 -1.112 -3.091 -1.368 326 HD13 ILE 40 HD13 ILE 40 -2.113 -2.838 -2.797 327 H PHE 41 H PHE 41 0.090 2.819 -0.870 328 HA PHE 41 HA PHE 41 2.171 3.428 -2.856 329 HB2 PHE 41 HB2 PHE 41 1.688 4.629 -0.109 330 HB3 PHE 41 HB3 PHE 41 2.848 5.203 -1.301 331 HD1 PHE 41 HD2 PHE 41 1.826 5.730 -3.713 332 HD2 PHE 41 HD1 PHE 41 -0.425 5.608 -0.055 333 HE1 PHE 41 HE2 PHE 41 0.073 7.153 -4.741 334 HE2 PHE 41 HE1 PHE 41 -2.153 7.036 -1.072 335 HZ PHE 41 HZ PHE 41 -1.918 7.809 -3.420 336 H LYS 42 H LYS 42 4.013 2.261 -2.818 337 HA LYS 42 HA LYS 42 4.740 0.834 -0.334 338 HB2 LYS 42 HB2 LYS 42 6.426 -0.262 -2.014 339 HB3 LYS 42 HB3 LYS 42 4.723 -0.716 -2.079 340 HG2 LYS 42 HG2 LYS 42 4.309 0.669 -3.963 341 HG3 LYS 42 HG3 LYS 42 5.839 1.526 -3.766 342 HD2 LYS 42 HD2 LYS 42 5.860 -0.175 -5.623 343 HD3 LYS 42 HD3 LYS 42 7.097 -0.444 -4.395 344 HE2 LYS 42 HE2 LYS 42 4.404 -1.792 -4.190 345 HE3 LYS 42 HE3 LYS 42 5.693 -2.486 -5.174 346 HZ1 LYS 42 HZ1 LYS 42 5.428 -2.379 -2.317 347 HZ2 LYS 42 HZ2 LYS 42 6.951 -1.858 -2.861 348 HZ3 LYS 42 HZ3 LYS 42 6.379 -3.403 -3.279 349 H THR 43 H THR 43 6.803 0.953 0.531 350 HA THR 43 HA THR 43 8.712 2.891 -0.526 351 HB THR 43 HB THR 43 7.990 4.562 0.847 352 HG1 THR 43 HG1 THR 43 9.761 3.535 2.043 353 HG21 THR 43 HG21 THR 43 5.795 3.713 1.188 354 HG22 THR 43 HG22 THR 43 6.414 4.054 2.805 355 HG23 THR 43 HG23 THR 43 6.380 2.397 2.209 356 H LYS 44 H LYS 44 10.714 2.910 0.907 357 HA LYS 44 HA LYS 44 11.511 0.176 1.327 358 HB2 LYS 44 HB2 LYS 44 12.993 2.765 1.842 359 HB3 LYS 44 HB3 LYS 44 13.709 1.153 1.871 360 HG2 LYS 44 HG2 LYS 44 12.808 0.886 -0.522 361 HG3 LYS 44 HG3 LYS 44 12.536 2.628 -0.491 362 HD2 LYS 44 HD2 LYS 44 15.183 1.202 -0.100 363 HD3 LYS 44 HD3 LYS 44 14.719 2.208 -1.472 364 HE2 LYS 44 HE2 LYS 44 16.008 3.664 -0.139 365 HE3 LYS 44 HE3 LYS 44 14.350 4.079 0.295 366 HZ1 LYS 44 HZ1 LYS 44 16.331 3.316 2.014 367 HZ2 LYS 44 HZ2 LYS 44 15.370 1.923 1.866 368 HZ3 LYS 44 HZ3 LYS 44 14.674 3.390 2.367 369 H LEU 45 H LEU 45 9.402 1.097 3.099 370 HA LEU 45 HA LEU 45 10.593 1.546 5.687 371 HB2 LEU 45 HB2 LEU 45 7.899 1.526 4.532 372 HB3 LEU 45 HB3 LEU 45 7.926 0.734 6.098 373 HG LEU 45 HG LEU 45 7.417 3.091 6.386 374 HD11 LEU 45 HD11 LEU 45 10.251 3.101 7.327 375 HD12 LEU 45 HD12 LEU 45 9.233 1.768 7.878 376 HD13 LEU 45 HD13 LEU 45 8.761 3.432 8.203 377 HD21 LEU 45 HD21 LEU 45 9.818 3.465 4.616 378 HD22 LEU 45 HD22 LEU 45 9.437 4.708 5.805 379 HD23 LEU 45 HD23 LEU 45 8.252 4.273 4.578 380 H ALA 46 H ALA 46 8.181 -0.964 5.064 381 HA ALA 46 HA ALA 46 9.942 -3.169 5.429 382 HB1 ALA 46 HB1 ALA 46 8.215 -2.607 7.837 383 HB2 ALA 46 HB2 ALA 46 9.896 -2.083 7.745 384 HB3 ALA 46 HB3 ALA 46 9.503 -3.800 7.669 385 H LYS 47 H LYS 47 6.897 -1.773 4.913 386 HA LYS 47 HA LYS 47 5.847 -4.279 3.921 387 HB2 LYS 47 HB2 LYS 47 3.679 -3.864 5.360 388 HB3 LYS 47 HB3 LYS 47 5.044 -4.734 6.058 389 HG2 LYS 47 HG2 LYS 47 4.162 -2.979 7.585 390 HG3 LYS 47 HG3 LYS 47 5.845 -2.698 7.140 391 HD2 LYS 47 HD2 LYS 47 5.276 -0.962 5.628 392 HD3 LYS 47 HD3 LYS 47 3.576 -1.434 5.597 393 HE2 LYS 47 HE2 LYS 47 4.904 -0.519 8.151 394 HE3 LYS 47 HE3 LYS 47 4.206 0.634 7.013 395 HZ1 LYS 47 HZ1 LYS 47 2.876 -1.401 8.652 396 HZ2 LYS 47 HZ2 LYS 47 2.185 -0.986 7.156 397 HZ3 LYS 47 HZ3 LYS 47 2.421 0.204 8.345 398 H ASP 48 H ASP 48 3.431 -3.867 3.239 399 HA ASP 48 HA ASP 48 3.493 -1.519 1.512 400 HB2 ASP 48 HB2 ASP 48 1.339 -2.558 0.640 401 HB3 ASP 48 HB3 ASP 48 2.801 -3.520 0.434 402 H ILE 49 H ILE 49 1.864 0.054 1.423 403 HA ILE 49 HA ILE 49 0.222 0.340 3.886 404 HB ILE 49 HB ILE 49 1.500 2.499 2.185 405 HG12 ILE 49 HG12 ILE 49 2.527 2.830 4.685 406 HG13 ILE 49 HG13 ILE 49 2.292 1.089 4.718 407 HG21 ILE 49 HG21 ILE 49 0.676 3.964 4.082 408 HG22 ILE 49 HG22 ILE 49 -0.281 2.588 4.631 409 HG23 ILE 49 HG23 ILE 49 -0.590 3.303 3.048 410 HD11 ILE 49 HD11 ILE 49 3.808 2.587 2.559 411 HD12 ILE 49 HD12 ILE 49 3.638 0.836 2.691 412 HD13 ILE 49 HD13 ILE 49 4.554 1.729 3.907 413 H CYS 50 H CYS 50 -1.899 1.031 3.646 414 HA CYS 50 HA CYS 50 -2.987 0.845 0.902 415 HB2 CYS 50 HB2 CYS 50 -4.544 0.844 3.488 416 HB3 CYS 50 HB3 CYS 50 -5.068 0.280 1.903 417 H ALA 51 H ALA 51 -4.816 2.311 0.366 418 HA ALA 51 HA ALA 51 -5.304 4.707 1.794 419 HB1 ALA 51 HB1 ALA 51 -3.017 4.689 -0.116 420 HB2 ALA 51 HB2 ALA 51 -3.258 5.662 1.334 421 HB3 ALA 51 HB3 ALA 51 -4.077 6.095 -0.163 422 H ASP 52 H ASP 52 -7.126 5.628 1.030 423 HA ASP 52 HA ASP 52 -8.259 4.586 -1.471 424 HB2 ASP 52 HB2 ASP 52 -9.487 4.611 0.785 425 HB3 ASP 52 HB3 ASP 52 -9.650 6.346 0.544 426 HA PRO 53 HA PRO 53 -7.291 8.486 -3.478 427 HB2 PRO 53 HB2 PRO 53 -9.038 8.385 -5.600 428 HB3 PRO 53 HB3 PRO 53 -7.536 7.443 -5.522 429 HG2 PRO 53 HG2 PRO 53 -10.334 6.588 -4.913 430 HG3 PRO 53 HG3 PRO 53 -9.061 5.729 -5.801 431 HD2 PRO 53 HD2 PRO 53 -9.646 5.146 -3.218 432 HD3 PRO 53 HD3 PRO 53 -7.993 5.017 -3.859 433 H LYS 54 H LYS 54 -8.439 9.240 -1.350 434 HA LYS 54 HA LYS 54 -10.584 11.099 -2.154 435 HB2 LYS 54 HB2 LYS 54 -10.603 9.434 0.380 436 HB3 LYS 54 HB3 LYS 54 -11.764 10.692 -0.027 437 HG2 LYS 54 HG2 LYS 54 -11.297 8.240 -1.750 438 HG3 LYS 54 HG3 LYS 54 -12.536 8.324 -0.504 439 HD2 LYS 54 HD2 LYS 54 -13.334 10.475 -1.715 440 HD3 LYS 54 HD3 LYS 54 -12.348 9.914 -3.063 441 HE2 LYS 54 HE2 LYS 54 -14.682 9.148 -3.293 442 HE3 LYS 54 HE3 LYS 54 -13.579 7.786 -3.099 443 HZ1 LYS 54 HZ1 LYS 54 -14.495 8.787 -0.590 444 HZ2 LYS 54 HZ2 LYS 54 -14.555 7.206 -1.208 445 HZ3 LYS 54 HZ3 LYS 54 -15.791 8.313 -1.578 446 H LYS 55 H LYS 55 -8.284 10.138 0.378 447 HA LYS 55 HA LYS 55 -8.196 12.719 1.590 448 HB2 LYS 55 HB2 LYS 55 -5.763 11.185 2.066 449 HB3 LYS 55 HB3 LYS 55 -7.045 11.597 3.197 450 HG2 LYS 55 HG2 LYS 55 -8.405 9.697 2.246 451 HG3 LYS 55 HG3 LYS 55 -7.001 9.242 1.290 452 HD2 LYS 55 HD2 LYS 55 -6.708 7.877 3.156 453 HD3 LYS 55 HD3 LYS 55 -5.760 9.283 3.629 454 HE2 LYS 55 HE2 LYS 55 -7.260 8.521 5.452 455 HE3 LYS 55 HE3 LYS 55 -7.656 10.154 4.925 456 HZ1 LYS 55 HZ1 LYS 55 -9.610 9.498 4.060 457 HZ2 LYS 55 HZ2 LYS 55 -9.449 8.211 5.156 458 HZ3 LYS 55 HZ3 LYS 55 -9.013 8.003 3.527 459 H LYS 56 H LYS 56 -6.624 14.322 1.417 460 HA LYS 56 HA LYS 56 -5.809 15.013 -1.125 461 HB2 LYS 56 HB2 LYS 56 -5.985 16.480 0.942 462 HB3 LYS 56 HB3 LYS 56 -4.367 15.917 1.362 463 HG2 LYS 56 HG2 LYS 56 -3.658 16.645 -0.986 464 HG3 LYS 56 HG3 LYS 56 -5.209 17.477 -1.087 465 HD2 LYS 56 HD2 LYS 56 -3.046 17.944 0.985 466 HD3 LYS 56 HD3 LYS 56 -3.520 19.050 -0.306 467 HE2 LYS 56 HE2 LYS 56 -5.071 18.266 2.158 468 HE3 LYS 56 HE3 LYS 56 -4.674 19.882 1.574 469 HZ1 LYS 56 HZ1 LYS 56 -6.776 19.782 0.813 470 HZ2 LYS 56 HZ2 LYS 56 -6.809 18.083 0.760 471 HZ3 LYS 56 HZ3 LYS 56 -6.059 18.962 -0.486 472 H TRP 57 H TRP 57 -3.576 13.809 1.438 473 HA TRP 57 HA TRP 57 -1.309 13.802 -0.173 474 HB2 TRP 57 HB2 TRP 57 -0.243 12.459 1.449 475 HB3 TRP 57 HB3 TRP 57 -1.394 13.454 2.331 476 HD1 TRP 57 HD1 TRP 57 -3.608 12.266 3.246 477 HE1 TRP 57 HE1 TRP 57 -4.090 9.804 3.827 478 HE3 TRP 57 HE3 TRP 57 0.261 9.987 0.792 479 HZ2 TRP 57 HZ2 TRP 57 -2.995 7.214 3.318 480 HZ3 TRP 57 HZ3 TRP 57 0.513 7.530 0.858 481 HH2 TRP 57 HH2 TRP 57 -1.107 6.138 2.120 482 H VAL 58 H VAL 58 -3.967 11.569 -0.218 483 HA VAL 58 HA VAL 58 -2.512 9.436 -1.481 484 HB VAL 58 HB VAL 58 -5.480 10.019 -1.360 485 HG11 VAL 58 HG11 VAL 58 -5.018 8.605 -3.290 486 HG12 VAL 58 HG12 VAL 58 -5.694 7.605 -2.009 487 HG13 VAL 58 HG13 VAL 58 -3.968 7.577 -2.328 488 HG21 VAL 58 HG21 VAL 58 -4.694 9.555 0.833 489 HG22 VAL 58 HG22 VAL 58 -3.580 8.320 0.266 490 HG23 VAL 58 HG23 VAL 58 -5.317 8.016 0.251 491 H GLN 59 H GLN 59 -4.883 11.818 -2.691 492 HA GLN 59 HA GLN 59 -4.562 11.146 -5.412 493 HB2 GLN 59 HB2 GLN 59 -5.304 13.933 -4.561 494 HB3 GLN 59 HB3 GLN 59 -5.942 12.961 -5.887 495 HG2 GLN 59 HG2 GLN 59 -6.730 11.382 -3.862 496 HG3 GLN 59 HG3 GLN 59 -6.643 12.894 -2.970 497 HE21 GLN 59 HE21 GLN 59 -8.654 11.029 -4.990 498 HE22 GLN 59 HE22 GLN 59 -9.781 12.237 -5.376 499 H ASP 60 H ASP 60 -2.824 13.340 -3.300 500 HA ASP 60 HA ASP 60 -1.393 14.674 -5.392 501 HB2 ASP 60 HB2 ASP 60 -1.848 15.531 -3.026 502 HB3 ASP 60 HB3 ASP 60 -0.535 14.477 -2.509 503 H SER 61 H SER 61 -0.838 11.772 -3.485 504 HA SER 61 HA SER 61 1.952 11.571 -4.007 505 HB2 SER 61 HB2 SER 61 1.258 10.265 -2.203 506 HB3 SER 61 HB3 SER 61 -0.149 9.646 -3.066 507 HG SER 61 HG SER 61 1.503 8.672 -4.517 508 H MET 62 H MET 62 -0.846 9.913 -5.540 509 HA MET 62 HA MET 62 0.715 8.549 -7.468 510 HB2 MET 62 HB2 MET 62 -1.561 8.573 -8.770 511 HB3 MET 62 HB3 MET 62 -1.437 7.674 -7.259 512 HG2 MET 62 HG2 MET 62 -2.607 9.297 -6.047 513 HG3 MET 62 HG3 MET 62 -2.312 10.554 -7.243 514 HE1 MET 62 HE1 MET 62 -5.319 7.135 -7.288 515 HE2 MET 62 HE2 MET 62 -4.938 8.128 -5.883 516 HE3 MET 62 HE3 MET 62 -3.683 7.127 -6.611 517 H LYS 63 H LYS 63 -0.925 11.689 -7.512 518 HA LYS 63 HA LYS 63 -0.426 12.352 -10.203 519 HB2 LYS 63 HB2 LYS 63 -2.006 13.640 -8.898 520 HB3 LYS 63 HB3 LYS 63 -0.752 14.092 -7.744 521 HG2 LYS 63 HG2 LYS 63 -1.294 15.904 -9.390 522 HG3 LYS 63 HG3 LYS 63 0.398 15.417 -9.428 523 HD2 LYS 63 HD2 LYS 63 0.141 14.232 -11.454 524 HD3 LYS 63 HD3 LYS 63 -1.612 14.141 -11.285 525 HE2 LYS 63 HE2 LYS 63 -0.034 16.688 -11.762 526 HE3 LYS 63 HE3 LYS 63 -0.940 15.809 -12.994 527 HZ1 LYS 63 HZ1 LYS 63 -2.770 16.842 -12.348 528 HZ2 LYS 63 HZ2 LYS 63 -1.890 17.710 -11.183 529 HZ3 LYS 63 HZ3 LYS 63 -2.605 16.223 -10.778 530 H TYR 64 H TYR 64 1.441 12.859 -7.246 531 HA TYR 64 HA TYR 64 3.544 14.376 -8.327 532 HB2 TYR 64 HB2 TYR 64 3.666 14.386 -6.025 533 HB3 TYR 64 HB3 TYR 64 3.058 12.742 -5.891 534 HD1 TYR 64 HD1 TYR 64 6.037 14.160 -7.692 535 HD2 TYR 64 HD2 TYR 64 4.598 11.496 -4.640 536 HE1 TYR 64 HE1 TYR 64 8.344 13.335 -7.318 537 HE2 TYR 64 HE2 TYR 64 6.905 10.680 -4.263 538 HH TYR 64 HH TYR 64 9.613 12.253 -5.340 539 H LEU 65 H LEU 65 3.047 10.879 -8.099 540 HA LEU 65 HA LEU 65 5.603 10.179 -9.160 541 HB2 LEU 65 HB2 LEU 65 3.019 8.647 -8.879 542 HB3 LEU 65 HB3 LEU 65 4.510 7.917 -9.467 543 HG LEU 65 HG LEU 65 4.540 9.438 -6.859 544 HD11 LEU 65 HD11 LEU 65 2.692 7.478 -7.034 545 HD12 LEU 65 HD12 LEU 65 3.630 7.749 -5.585 546 HD13 LEU 65 HD13 LEU 65 4.101 6.482 -6.713 547 HD21 LEU 65 HD21 LEU 65 6.600 8.468 -6.584 548 HD22 LEU 65 HD22 LEU 65 6.534 8.241 -8.324 549 HD23 LEU 65 HD23 LEU 65 6.089 6.921 -7.250 550 H ASP 66 H ASP 66 2.661 11.242 -10.544 551 HA ASP 66 HA ASP 66 2.882 10.021 -13.099 552 HB2 ASP 66 HB2 ASP 66 0.857 11.182 -12.003 553 HB3 ASP 66 HB3 ASP 66 1.570 12.685 -12.585 554 H GLN 67 H GLN 67 4.201 12.952 -11.681 555 HA GLN 67 HA GLN 67 5.044 14.204 -14.076 556 HB2 GLN 67 HB2 GLN 67 6.315 14.405 -11.337 557 HB3 GLN 67 HB3 GLN 67 6.456 15.569 -12.655 558 HG2 GLN 67 HG2 GLN 67 4.015 15.955 -12.571 559 HG3 GLN 67 HG3 GLN 67 3.886 14.811 -11.235 560 HE21 GLN 67 HE21 GLN 67 4.756 15.465 -9.136 561 HE22 GLN 67 HE22 GLN 67 5.144 17.086 -8.814 562 H LYS 68 H LYS 68 6.874 12.228 -11.729 563 HA LYS 68 HA LYS 68 9.160 12.065 -13.488 564 HB2 LYS 68 HB2 LYS 68 10.085 10.573 -11.743 565 HB3 LYS 68 HB3 LYS 68 9.501 12.097 -11.075 566 HG2 LYS 68 HG2 LYS 68 7.274 10.834 -10.667 567 HG3 LYS 68 HG3 LYS 68 8.217 9.369 -10.928 568 HD2 LYS 68 HD2 LYS 68 8.906 11.508 -8.891 569 HD3 LYS 68 HD3 LYS 68 8.060 10.008 -8.515 570 HE2 LYS 68 HE2 LYS 68 10.322 9.525 -8.024 571 HE3 LYS 68 HE3 LYS 68 10.076 8.820 -9.621 572 HZ1 LYS 68 HZ1 LYS 68 10.840 11.572 -9.748 573 HZ2 LYS 68 HZ2 LYS 68 11.525 10.222 -10.521 574 HZ3 LYS 68 HZ3 LYS 68 11.997 10.631 -8.940 575 H SER 69 H SER 69 6.338 10.137 -12.789 576 HA SER 69 HA SER 69 5.593 8.121 -13.621 577 HB2 SER 69 HB2 SER 69 7.317 8.805 -16.001 578 HB3 SER 69 HB3 SER 69 5.852 7.827 -15.978 579 HG SER 69 HG SER 69 5.950 10.332 -16.475 580 HA PRO 70 HA PRO 70 9.478 5.807 -12.743 581 HB2 PRO 70 HB2 PRO 70 8.682 4.458 -10.555 582 HB3 PRO 70 HB3 PRO 70 9.128 6.175 -10.466 583 HG2 PRO 70 HG2 PRO 70 6.418 4.927 -10.513 584 HG3 PRO 70 HG3 PRO 70 7.001 6.317 -9.581 585 HD2 PRO 70 HD2 PRO 70 5.546 6.485 -11.977 586 HD3 PRO 70 HD3 PRO 70 6.525 7.797 -11.287 587 H THR 71 H THR 71 9.990 3.716 -13.362 588 HA THR 71 HA THR 71 7.919 1.686 -13.644 589 HB THR 71 HB THR 71 8.442 1.335 -16.061 590 HG1 THR 71 HG1 THR 71 10.445 2.504 -15.967 591 HG21 THR 71 HG21 THR 71 7.449 4.149 -15.589 592 HG22 THR 71 HG22 THR 71 6.486 2.732 -15.170 593 HG23 THR 71 HG23 THR 71 6.953 3.016 -16.846 594 HA PRO 72 HA PRO 72 12.314 0.250 -12.883 595 HB2 PRO 72 HB2 PRO 72 12.050 -0.606 -10.318 596 HB3 PRO 72 HB3 PRO 72 12.385 1.092 -10.717 597 HG2 PRO 72 HG2 PRO 72 9.788 -0.198 -9.992 598 HG3 PRO 72 HG3 PRO 72 10.457 1.355 -9.461 599 HD2 PRO 72 HD2 PRO 72 8.575 1.133 -11.462 600 HD3 PRO 72 HD3 PRO 72 9.749 2.465 -11.372 601 H LYS 73 H LYS 73 9.469 -1.322 -11.374 602 HA LYS 73 HA LYS 73 8.751 -3.510 -11.391 603 HB2 LYS 73 HB2 LYS 73 9.745 -3.087 -14.207 604 HB3 LYS 73 HB3 LYS 73 9.044 -4.625 -13.709 605 HG2 LYS 73 HG2 LYS 73 7.379 -3.042 -14.727 606 HG3 LYS 73 HG3 LYS 73 6.964 -3.550 -13.089 607 HD2 LYS 73 HD2 LYS 73 7.641 -1.478 -12.154 608 HD3 LYS 73 HD3 LYS 73 8.522 -1.014 -13.611 609 HE2 LYS 73 HE2 LYS 73 5.534 -1.473 -13.627 610 HE3 LYS 73 HE3 LYS 73 6.236 0.101 -13.247 611 HZ1 LYS 73 HZ1 LYS 73 6.421 -1.434 -15.766 612 HZ2 LYS 73 HZ2 LYS 73 7.521 -0.191 -15.401 613 HZ3 LYS 73 HZ3 LYS 73 5.863 0.151 -15.533 614 HA PRO 74 HA PRO 74 13.070 -5.156 -10.806 615 HB2 PRO 74 HB2 PRO 74 13.142 -5.246 -8.102 616 HB3 PRO 74 HB3 PRO 74 13.473 -3.748 -8.995 617 HG2 PRO 74 HG2 PRO 74 10.976 -4.597 -7.593 618 HG3 PRO 74 HG3 PRO 74 11.755 -3.005 -7.637 619 HD2 PRO 74 HD2 PRO 74 9.589 -3.716 -9.225 620 HD3 PRO 74 HD3 PRO 74 10.743 -2.428 -9.638 621 H1 VAL 208 H1 VAL 208 -5.564 9.683 13.873 622 H2 VAL 208 H2 VAL 208 -4.305 9.068 14.835 623 H3 VAL 208 H3 VAL 208 -5.808 9.441 15.535 624 HA VAL 208 HA VAL 208 -5.291 7.298 13.547 625 HB VAL 208 HB VAL 208 -6.011 7.195 16.493 626 HG11 VAL 208 HG11 VAL 208 -5.573 5.032 14.412 627 HG12 VAL 208 HG12 VAL 208 -7.061 5.365 15.299 628 HG13 VAL 208 HG13 VAL 208 -5.652 4.727 16.147 629 HG21 VAL 208 HG21 VAL 208 -3.661 7.785 16.137 630 HG22 VAL 208 HG22 VAL 208 -3.479 6.461 14.985 631 HG23 VAL 208 HG23 VAL 208 -3.768 6.115 16.691 632 H GLU 209 H GLU 209 -7.669 8.266 16.033 633 HA GLU 209 HA GLU 209 -9.867 7.211 14.518 634 HB2 GLU 209 HB2 GLU 209 -11.257 8.218 16.308 635 HB3 GLU 209 HB3 GLU 209 -9.945 7.232 16.957 636 HG2 GLU 209 HG2 GLU 209 -8.580 9.297 17.245 637 HG3 GLU 209 HG3 GLU 209 -9.955 10.252 16.694 638 H THR 210 H THR 210 -8.410 9.081 12.984 639 HA THR 210 HA THR 210 -10.555 10.826 12.177 640 HB THR 210 HB THR 210 -7.999 12.076 13.214 641 HG1 THR 210 HG1 THR 210 -10.284 12.934 14.322 642 HG21 THR 210 HG21 THR 210 -9.378 14.187 12.807 643 HG22 THR 210 HG22 THR 210 -10.474 13.172 11.869 644 HG23 THR 210 HG23 THR 210 -8.794 13.356 11.365 645 H PHE 211 H PHE 211 -7.468 9.372 11.784 646 HA PHE 211 HA PHE 211 -6.090 9.074 9.970 647 HB2 PHE 211 HB2 PHE 211 -8.814 9.383 8.711 648 HB3 PHE 211 HB3 PHE 211 -7.382 9.132 7.712 649 HD1 PHE 211 HD1 PHE 211 -8.822 7.738 10.901 650 HD2 PHE 211 HD2 PHE 211 -6.940 6.909 7.125 651 HE1 PHE 211 HE1 PHE 211 -8.913 5.310 11.385 652 HE2 PHE 211 HE2 PHE 211 -7.034 4.484 7.613 653 HZ PHE 211 HZ PHE 211 -8.018 3.684 9.741 654 H GLY 212 H GLY 212 -5.453 11.371 10.904 655 HA2 GLY 212 HA2 GLY 212 -4.319 12.907 8.988 656 HA3 GLY 212 HA3 GLY 212 -5.941 13.583 9.098 657 H THR 213 H THR 213 -2.821 13.647 10.386 658 HA THR 213 HA THR 213 -3.538 15.685 12.283 659 HB THR 213 HB THR 213 -4.079 13.989 13.806 660 HG1 THR 213 HG1 THR 213 -2.705 14.616 15.240 661 HG21 THR 213 HG21 THR 213 -1.803 12.474 12.527 662 HG22 THR 213 HG22 THR 213 -3.502 12.016 12.635 663 HG23 THR 213 HG23 THR 213 -2.486 11.983 14.076 664 H THR 214 H THR 214 -0.861 13.836 13.275 665 HA THR 214 HA THR 214 0.971 15.911 12.432 666 HB THR 214 HB THR 214 1.113 14.804 14.664 667 HG1 THR 214 HG1 THR 214 3.029 15.589 14.303 668 HG21 THR 214 HG21 THR 214 0.544 12.517 13.682 669 HG22 THR 214 HG22 THR 214 1.851 12.547 14.865 670 HG23 THR 214 HG23 THR 214 2.221 12.441 13.144 671 H SER 215 H SER 215 3.293 14.350 12.082 672 HA SER 215 HA SER 215 3.199 13.883 9.287 673 HB2 SER 215 HB2 SER 215 5.251 14.561 10.489 674 HB3 SER 215 HB3 SER 215 5.285 12.996 11.295 675 HG SER 215 HG SER 215 5.049 12.987 8.527 676 H TYS 216 H TYS 216 4.997 11.348 10.402 677 HA TYS 216 HA TYS 216 2.993 9.353 10.793 678 HB2 TYS 216 HB2 TYS 216 2.716 9.893 8.350 679 HB3 TYS 216 HB1 TYS 216 4.360 9.310 8.096 680 HD1 TYS 216 HD1 TYS 216 1.197 8.220 9.827 681 HD2 TYS 216 HD2 TYS 216 4.602 7.073 7.479 682 HE1 TYS 216 HE1 TYS 216 0.351 5.894 9.738 683 HE2 TYS 216 HE2 TYS 216 3.756 4.743 7.389 684 H TYS 217 H TYS 217 6.249 10.362 10.236 685 HA TYS 217 HA TYS 217 7.233 8.065 11.765 686 HB2 TYS 217 HB2 TYS 217 8.136 8.772 8.972 687 HB3 TYS 217 HB1 TYS 217 9.235 7.981 10.097 688 HD1 TYS 217 HD1 TYS 217 7.952 5.935 11.466 689 HD2 TYS 217 HD2 TYS 217 7.051 7.327 7.492 690 HE1 TYS 217 HE1 TYS 217 6.926 3.751 10.930 691 HE2 TYS 217 HE2 TYS 217 6.030 5.129 6.963 692 H ASP 218 H ASP 218 6.922 10.428 12.892 693 HA ASP 218 HA ASP 218 9.150 12.205 12.557 694 HB2 ASP 218 HB2 ASP 218 6.896 12.882 13.441 695 HB3 ASP 218 HB3 ASP 218 7.274 11.999 14.920 696 H ASP 219 H ASP 219 8.580 9.303 14.331 697 HA ASP 219 HA ASP 219 10.623 9.743 16.320 698 HB2 ASP 219 HB2 ASP 219 9.026 7.325 15.474 699 HB3 ASP 219 HB3 ASP 219 10.278 7.248 16.713 700 H VAL 220 H VAL 220 10.433 8.336 13.128 701 HA VAL 220 HA VAL 220 12.043 7.546 11.695 702 HB VAL 220 HB VAL 220 14.095 8.706 13.581 703 HG11 VAL 220 HG11 VAL 220 15.287 9.115 11.441 704 HG12 VAL 220 HG12 VAL 220 13.957 8.349 10.572 705 HG13 VAL 220 HG13 VAL 220 14.945 7.402 11.684 706 HG21 VAL 220 HG21 VAL 220 12.491 10.466 13.317 707 HG22 VAL 220 HG22 VAL 220 12.260 10.089 11.609 708 HG23 VAL 220 HG23 VAL 220 13.777 10.804 12.157 709 H GLY 221 H GLY 221 13.757 7.319 14.815 710 HA2 GLY 221 HA2 GLY 221 14.973 4.873 14.409 711 HA3 GLY 221 HA3 GLY 221 14.528 5.494 15.996 712 H LEU 222 H LEU 222 11.664 5.470 14.612 713 HA LEU 222 HA LEU 222 10.509 3.420 15.999 714 HB2 LEU 222 HB2 LEU 222 9.473 5.265 14.443 715 HB3 LEU 222 HB3 LEU 222 9.537 4.010 13.210 716 HG LEU 222 HG LEU 222 8.194 3.704 15.916 717 HD11 LEU 222 HD11 LEU 222 6.876 5.254 14.690 718 HD12 LEU 222 HD12 LEU 222 6.105 3.693 14.417 719 HD13 LEU 222 HD13 LEU 222 7.134 4.397 13.172 720 HD21 LEU 222 HD21 LEU 222 8.512 1.922 13.495 721 HD22 LEU 222 HD22 LEU 222 7.140 1.723 14.586 722 HD23 LEU 222 HD23 LEU 222 8.782 1.534 15.195 723 H LEU 223 H LEU 223 11.421 3.190 12.546 724 HA LEU 223 HA LEU 223 10.954 0.474 12.207 725 HB2 LEU 223 HB2 LEU 223 11.488 2.081 10.388 726 HB3 LEU 223 HB3 LEU 223 13.164 2.104 10.925 727 HG LEU 223 HG LEU 223 12.018 -0.620 10.434 728 HD11 LEU 223 HD11 LEU 223 11.021 0.402 8.525 729 HD12 LEU 223 HD12 LEU 223 12.506 -0.350 7.943 730 HD13 LEU 223 HD13 LEU 223 12.447 1.392 8.216 731 HD21 LEU 223 HD21 LEU 223 14.381 -0.363 11.009 732 HD22 LEU 223 HD22 LEU 223 14.615 0.771 9.681 733 HD23 LEU 223 HD23 LEU 223 14.253 -0.920 9.343 Start of MODEL 8 1 H1 GLY 1 H1 GLY 1 5.204 -10.387 -4.755 2 H2 GLY 1 H2 GLY 1 5.980 -11.874 -5.021 3 H3 GLY 1 H3 GLY 1 4.325 -11.832 -4.639 4 HA2 GLY 1 HA2 GLY 1 4.365 -10.278 -6.814 5 HA3 GLY 1 HA3 GLY 1 5.651 -11.427 -7.177 6 HA PRO 2 HA PRO 2 3.103 -14.901 -8.087 7 HB2 PRO 2 HB2 PRO 2 3.362 -15.952 -5.280 8 HB3 PRO 2 HB3 PRO 2 3.576 -16.804 -6.825 9 HG2 PRO 2 HG2 PRO 2 5.680 -16.032 -5.401 10 HG3 PRO 2 HG3 PRO 2 5.687 -15.918 -7.171 11 HD2 PRO 2 HD2 PRO 2 5.434 -13.729 -5.149 12 HD3 PRO 2 HD3 PRO 2 6.143 -13.681 -6.778 13 H ALA 3 H ALA 3 2.377 -13.113 -5.187 14 HA ALA 3 HA ALA 3 -0.432 -13.072 -5.798 15 HB1 ALA 3 HB1 ALA 3 -0.265 -15.260 -4.659 16 HB2 ALA 3 HB2 ALA 3 -1.212 -14.105 -3.721 17 HB3 ALA 3 HB3 ALA 3 0.452 -14.464 -3.259 18 H SER 4 H SER 4 -1.523 -12.173 -3.523 19 HA SER 4 HA SER 4 0.167 -10.259 -2.172 20 HB2 SER 4 HB2 SER 4 -0.153 -9.002 -4.204 21 HB3 SER 4 HB3 SER 4 -1.884 -9.331 -4.193 22 HG SER 4 HG SER 4 -0.395 -7.510 -2.747 23 H VAL 5 H VAL 5 -1.039 -12.083 -0.823 24 HA VAL 5 HA VAL 5 -3.241 -10.710 0.541 25 HB VAL 5 HB VAL 5 -3.487 -13.580 -0.392 26 HG11 VAL 5 HG11 VAL 5 -5.812 -13.301 0.462 27 HG12 VAL 5 HG12 VAL 5 -5.375 -11.702 1.062 28 HG13 VAL 5 HG13 VAL 5 -4.607 -13.138 1.739 29 HG21 VAL 5 HG21 VAL 5 -3.765 -12.155 -2.313 30 HG22 VAL 5 HG22 VAL 5 -4.729 -11.001 -1.390 31 HG23 VAL 5 HG23 VAL 5 -5.385 -12.594 -1.767 32 HA PRO 6 HA PRO 6 0.076 -12.510 3.296 33 HB2 PRO 6 HB2 PRO 6 -1.119 -10.291 4.930 34 HB3 PRO 6 HB3 PRO 6 0.584 -10.756 4.739 35 HG2 PRO 6 HG2 PRO 6 -0.390 -8.631 3.479 36 HG3 PRO 6 HG3 PRO 6 0.778 -9.704 2.685 37 HD2 PRO 6 HD2 PRO 6 -2.176 -9.470 2.228 38 HD3 PRO 6 HD3 PRO 6 -0.883 -9.856 1.069 39 H THR 7 H THR 7 -2.923 -11.153 4.695 40 HA THR 7 HA THR 7 -4.134 -13.641 5.271 41 HB THR 7 HB THR 7 -2.385 -14.022 6.866 42 HG1 THR 7 HG1 THR 7 -4.895 -13.722 7.533 43 HG21 THR 7 HG21 THR 7 -2.956 -11.187 7.764 44 HG22 THR 7 HG22 THR 7 -1.461 -11.800 7.054 45 HG23 THR 7 HG23 THR 7 -1.948 -12.316 8.669 46 H THR 8 H THR 8 -3.843 -10.244 5.568 47 HA THR 8 HA THR 8 -6.718 -9.987 5.983 48 HB THR 8 HB THR 8 -6.410 -8.351 7.842 49 HG1 THR 8 HG1 THR 8 -4.223 -8.875 8.904 50 HG21 THR 8 HG21 THR 8 -6.258 -9.996 9.553 51 HG22 THR 8 HG22 THR 8 -5.210 -11.024 8.575 52 HG23 THR 8 HG23 THR 8 -6.913 -10.844 8.152 53 H CYS 9 H CYS 9 -4.963 -9.460 3.779 54 HA CYS 9 HA CYS 9 -4.454 -7.820 2.248 55 HB2 CYS 9 HB2 CYS 9 -6.840 -7.515 2.180 56 HB3 CYS 9 HB3 CYS 9 -6.813 -6.561 3.664 57 H CYS 10 H CYS 10 -5.597 -5.469 4.592 58 HA CYS 10 HA CYS 10 -3.075 -4.825 5.732 59 HB2 CYS 10 HB2 CYS 10 -2.544 -2.789 4.560 60 HB3 CYS 10 HB3 CYS 10 -2.691 -4.075 3.362 61 H PHE 11 H PHE 11 -5.346 -5.201 7.024 62 HA PHE 11 HA PHE 11 -6.881 -4.281 8.464 63 HB2 PHE 11 HB2 PHE 11 -4.781 -3.257 9.328 64 HB3 PHE 11 HB3 PHE 11 -5.060 -1.866 8.284 65 HD1 PHE 11 HD2 PHE 11 -6.921 -3.965 10.785 66 HD2 PHE 11 HD1 PHE 11 -6.188 -0.033 9.213 67 HE1 PHE 11 HE2 PHE 11 -8.424 -2.997 12.502 68 HE2 PHE 11 HE1 PHE 11 -7.690 0.932 10.932 69 HZ PHE 11 HZ PHE 11 -8.808 -0.549 12.576 70 H ASN 12 H ASN 12 -6.051 -1.183 6.981 71 HA ASN 12 HA ASN 12 -7.995 -1.015 5.011 72 HB2 ASN 12 HB2 ASN 12 -9.664 0.474 6.357 73 HB3 ASN 12 HB3 ASN 12 -9.805 -1.278 6.470 74 HD21 ASN 12 HD21 ASN 12 -9.221 -2.300 8.493 75 HD22 ASN 12 HD22 ASN 12 -8.904 -1.396 9.894 76 H LEU 13 H LEU 13 -7.161 0.550 3.828 77 HA LEU 13 HA LEU 13 -5.950 2.416 3.238 78 HB2 LEU 13 HB2 LEU 13 -7.403 3.811 5.477 79 HB3 LEU 13 HB3 LEU 13 -6.968 4.429 3.883 80 HG LEU 13 HG LEU 13 -9.061 2.334 4.517 81 HD11 LEU 13 HD11 LEU 13 -9.153 5.154 3.424 82 HD12 LEU 13 HD12 LEU 13 -9.908 4.544 4.895 83 HD13 LEU 13 HD13 LEU 13 -10.517 4.040 3.318 84 HD21 LEU 13 HD21 LEU 13 -9.473 2.508 1.988 85 HD22 LEU 13 HD22 LEU 13 -8.032 1.619 2.479 86 HD23 LEU 13 HD23 LEU 13 -7.887 3.274 1.889 87 H ALA 14 H ALA 14 -5.734 4.499 5.638 88 HA ALA 14 HA ALA 14 -3.617 3.283 7.219 89 HB1 ALA 14 HB1 ALA 14 -3.049 5.465 5.203 90 HB2 ALA 14 HB2 ALA 14 -2.314 3.864 5.285 91 HB3 ALA 14 HB3 ALA 14 -1.967 5.059 6.535 92 H ASN 15 H ASN 15 -3.452 6.661 6.592 93 HA ASN 15 HA ASN 15 -5.377 7.664 8.384 94 HB2 ASN 15 HB2 ASN 15 -3.722 8.267 10.254 95 HB3 ASN 15 HB3 ASN 15 -4.284 6.600 10.202 96 HD21 ASN 15 HD21 ASN 15 -1.634 7.868 11.155 97 HD22 ASN 15 HD22 ASN 15 -0.446 6.954 10.360 98 H ARG 16 H ARG 16 -2.193 8.836 8.980 99 HA ARG 16 HA ARG 16 -2.745 11.380 7.855 100 HB2 ARG 16 HB2 ARG 16 0.039 10.387 8.440 101 HB3 ARG 16 HB3 ARG 16 -0.617 12.015 8.614 102 HG2 ARG 16 HG2 ARG 16 -2.248 10.806 10.349 103 HG3 ARG 16 HG3 ARG 16 -0.939 9.631 10.416 104 HD2 ARG 16 HD2 ARG 16 -0.420 11.178 12.124 105 HD3 ARG 16 HD3 ARG 16 0.616 11.655 10.782 106 HE ARG 16 HE ARG 16 -1.807 13.082 10.589 107 HH11 ARG 16 HH21 ARG 16 0.978 12.770 12.615 108 HH12 ARG 16 HH22 ARG 16 0.939 14.414 13.159 109 HH21 ARG 16 HH11 ARG 16 -1.867 15.240 11.296 110 HH22 ARG 16 HH12 ARG 16 -0.673 15.813 12.413 111 H LYS 17 H LYS 17 0.264 11.210 6.845 112 HA LYS 17 HA LYS 17 -0.341 10.158 4.143 113 HB2 LYS 17 HB2 LYS 17 0.841 12.100 3.181 114 HB3 LYS 17 HB3 LYS 17 -0.608 12.583 4.060 115 HG2 LYS 17 HG2 LYS 17 0.785 13.123 6.035 116 HG3 LYS 17 HG3 LYS 17 2.229 12.677 5.126 117 HD2 LYS 17 HD2 LYS 17 1.446 14.409 3.378 118 HD3 LYS 17 HD3 LYS 17 0.350 14.991 4.632 119 HE2 LYS 17 HE2 LYS 17 2.423 15.120 6.150 120 HE3 LYS 17 HE3 LYS 17 3.371 14.934 4.674 121 HZ1 LYS 17 HZ1 LYS 17 2.967 17.272 5.308 122 HZ2 LYS 17 HZ2 LYS 17 1.301 17.023 5.081 123 HZ3 LYS 17 HZ3 LYS 17 2.371 16.888 3.768 124 H ILE 18 H ILE 18 1.324 9.191 3.091 125 HA ILE 18 HA ILE 18 3.552 8.342 4.694 126 HB ILE 18 HB ILE 18 2.311 7.649 2.096 127 HG12 ILE 18 HG12 ILE 18 2.053 6.336 4.224 128 HG13 ILE 18 HG13 ILE 18 2.579 5.385 2.843 129 HG21 ILE 18 HG21 ILE 18 5.285 7.304 2.482 130 HG22 ILE 18 HG22 ILE 18 4.445 8.086 1.146 131 HG23 ILE 18 HG23 ILE 18 4.341 6.338 1.349 132 HD11 ILE 18 HD11 ILE 18 4.166 6.234 5.260 133 HD12 ILE 18 HD12 ILE 18 4.997 5.813 3.770 134 HD13 ILE 18 HD13 ILE 18 3.983 4.636 4.569 135 HA PRO 19 HA PRO 19 6.272 11.649 3.378 136 HB2 PRO 19 HB2 PRO 19 8.723 10.407 3.677 137 HB3 PRO 19 HB3 PRO 19 7.776 11.047 5.033 138 HG2 PRO 19 HG2 PRO 19 7.950 8.244 4.012 139 HG3 PRO 19 HG3 PRO 19 7.999 8.834 5.681 140 HD2 PRO 19 HD2 PRO 19 5.758 7.792 4.664 141 HD3 PRO 19 HD3 PRO 19 5.685 9.177 5.770 142 H LEU 20 H LEU 20 6.742 12.312 1.357 143 HA LEU 20 HA LEU 20 6.656 10.541 -0.859 144 HB2 LEU 20 HB2 LEU 20 7.141 13.467 -0.472 145 HB3 LEU 20 HB3 LEU 20 7.584 12.758 -2.025 146 HG LEU 20 HG LEU 20 5.298 11.845 -2.255 147 HD11 LEU 20 HD11 LEU 20 3.552 12.644 -0.662 148 HD12 LEU 20 HD12 LEU 20 4.830 13.314 0.353 149 HD13 LEU 20 HD13 LEU 20 4.731 11.572 0.094 150 HD21 LEU 20 HD21 LEU 20 5.968 14.200 -3.013 151 HD22 LEU 20 HD22 LEU 20 5.129 14.788 -1.577 152 HD23 LEU 20 HD23 LEU 20 4.240 13.907 -2.820 153 H GLN 21 H GLN 21 9.287 11.727 1.085 154 HA GLN 21 HA GLN 21 11.388 11.410 -0.778 155 HB2 GLN 21 HB2 GLN 21 12.801 11.175 1.356 156 HB3 GLN 21 HB3 GLN 21 11.885 12.668 1.154 157 HG2 GLN 21 HG2 GLN 21 10.172 11.922 2.650 158 HG3 GLN 21 HG3 GLN 21 10.820 10.281 2.672 159 HE21 GLN 21 HE21 GLN 21 10.583 11.268 5.160 160 HE22 GLN 21 HE22 GLN 21 12.065 11.818 5.779 161 H ARG 22 H ARG 22 9.709 9.090 1.250 162 HA ARG 22 HA ARG 22 11.675 6.989 0.617 163 HB2 ARG 22 HB2 ARG 22 9.317 7.115 2.499 164 HB3 ARG 22 HB3 ARG 22 10.251 5.645 2.215 165 HG2 ARG 22 HG2 ARG 22 12.096 6.420 3.371 166 HG3 ARG 22 HG3 ARG 22 11.852 8.089 2.863 167 HD2 ARG 22 HD2 ARG 22 10.277 8.509 4.548 168 HD3 ARG 22 HD3 ARG 22 9.931 6.799 4.793 169 HE ARG 22 HE ARG 22 11.669 6.759 6.317 170 HH11 ARG 22 HH21 ARG 22 12.057 9.394 4.108 171 HH12 ARG 22 HH22 ARG 22 13.460 10.031 4.898 172 HH21 ARG 22 HH11 ARG 22 13.509 7.588 7.358 173 HH22 ARG 22 HH12 ARG 22 14.282 9.009 6.739 174 H LEU 23 H LEU 23 8.186 7.616 0.325 175 HA LEU 23 HA LEU 23 7.198 5.381 -0.808 176 HB2 LEU 23 HB2 LEU 23 5.630 7.067 -0.581 177 HB3 LEU 23 HB3 LEU 23 6.701 8.289 -1.218 178 HG LEU 23 HG LEU 23 4.709 7.788 -2.641 179 HD11 LEU 23 HD11 LEU 23 5.858 8.506 -4.427 180 HD12 LEU 23 HD12 LEU 23 6.841 7.048 -4.510 181 HD13 LEU 23 HD13 LEU 23 7.307 8.369 -3.442 182 HD21 LEU 23 HD21 LEU 23 5.425 5.091 -2.216 183 HD22 LEU 23 HD22 LEU 23 5.753 5.395 -3.913 184 HD23 LEU 23 HD23 LEU 23 4.159 5.707 -3.262 185 H GLU 24 H GLU 24 7.327 4.240 -2.692 186 HA GLU 24 HA GLU 24 9.359 5.118 -4.666 187 HB2 GLU 24 HB2 GLU 24 9.898 3.016 -3.577 188 HB3 GLU 24 HB3 GLU 24 8.315 2.363 -3.995 189 HG2 GLU 24 HG2 GLU 24 8.816 2.350 -6.321 190 HG3 GLU 24 HG3 GLU 24 10.239 3.368 -6.094 191 H SER 25 H SER 25 6.392 3.118 -4.638 192 HA SER 25 HA SER 25 5.310 4.621 -6.901 193 HB2 SER 25 HB2 SER 25 6.485 3.038 -8.189 194 HB3 SER 25 HB3 SER 25 6.161 1.735 -7.048 195 HG SER 25 HG SER 25 4.837 2.120 -9.157 196 H TYR 26 H TYR 26 3.135 3.303 -7.569 197 HA TYR 26 HA TYR 26 1.770 2.518 -5.055 198 HB2 TYR 26 HB2 TYR 26 -0.163 3.784 -5.626 199 HB3 TYR 26 HB3 TYR 26 1.207 4.871 -5.814 200 HD1 TYR 26 HD2 TYR 26 2.098 5.380 -8.097 201 HD2 TYR 26 HD1 TYR 26 -1.499 3.117 -7.493 202 HE1 TYR 26 HE2 TYR 26 1.466 5.770 -10.459 203 HE2 TYR 26 HE1 TYR 26 -2.134 3.494 -9.861 204 HH TYR 26 HH TYR 26 0.023 4.641 -12.182 205 H ARG 27 H ARG 27 -0.147 1.197 -5.359 206 HA ARG 27 HA ARG 27 -0.493 -0.114 -7.944 207 HB2 ARG 27 HB2 ARG 27 1.377 -1.236 -6.384 208 HB3 ARG 27 HB3 ARG 27 -0.032 -1.967 -5.626 209 HG2 ARG 27 HG2 ARG 27 0.597 -2.079 -8.597 210 HG3 ARG 27 HG3 ARG 27 0.908 -3.380 -7.451 211 HD2 ARG 27 HD2 ARG 27 -1.661 -3.090 -6.886 212 HD3 ARG 27 HD3 ARG 27 -1.717 -2.359 -8.489 213 HE ARG 27 HE ARG 27 -1.452 -4.474 -9.386 214 HH11 ARG 27 HH21 ARG 27 -0.434 -4.410 -6.079 215 HH12 ARG 27 HH22 ARG 27 -0.166 -6.118 -5.984 216 HH21 ARG 27 HH11 ARG 27 -1.103 -6.716 -9.269 217 HH22 ARG 27 HH12 ARG 27 -0.545 -7.425 -7.790 218 H ARG 28 H ARG 28 -2.578 -0.669 -8.243 219 HA ARG 28 HA ARG 28 -4.476 -0.092 -6.129 220 HB2 ARG 28 HB2 ARG 28 -4.561 0.340 -8.782 221 HB3 ARG 28 HB3 ARG 28 -5.381 -1.218 -8.744 222 HG2 ARG 28 HG2 ARG 28 -6.884 -0.252 -6.931 223 HG3 ARG 28 HG3 ARG 28 -6.167 1.320 -7.287 224 HD2 ARG 28 HD2 ARG 28 -7.890 -0.406 -9.046 225 HD3 ARG 28 HD3 ARG 28 -8.062 1.304 -8.666 226 HE ARG 28 HE ARG 28 -6.503 0.187 -10.793 227 HH11 ARG 28 HH21 ARG 28 -6.687 2.737 -8.461 228 HH12 ARG 28 HH22 ARG 28 -5.758 3.854 -9.404 229 HH21 ARG 28 HH11 ARG 28 -5.286 1.647 -12.037 230 HH22 ARG 28 HH12 ARG 28 -4.965 3.237 -11.429 231 H ILE 29 H ILE 29 -6.004 -1.489 -5.268 232 HA ILE 29 HA ILE 29 -5.338 -4.370 -5.474 233 HB ILE 29 HB ILE 29 -6.988 -3.923 -3.174 234 HG12 ILE 29 HG12 ILE 29 -4.659 -1.990 -3.288 235 HG13 ILE 29 HG13 ILE 29 -6.341 -1.514 -3.461 236 HG21 ILE 29 HG21 ILE 29 -5.221 -5.626 -3.382 237 HG22 ILE 29 HG22 ILE 29 -4.968 -4.632 -1.949 238 HG23 ILE 29 HG23 ILE 29 -3.993 -4.361 -3.394 239 HD11 ILE 29 HD11 ILE 29 -5.165 -1.398 -1.091 240 HD12 ILE 29 HD12 ILE 29 -5.553 -3.117 -1.043 241 HD13 ILE 29 HD13 ILE 29 -6.840 -1.930 -1.231 242 H THR 30 H THR 30 -6.703 -5.365 -6.812 243 HA THR 30 HA THR 30 -9.593 -5.030 -6.417 244 HB THR 30 HB THR 30 -10.068 -4.611 -8.719 245 HG1 THR 30 HG1 THR 30 -7.531 -4.325 -9.631 246 HG21 THR 30 HG21 THR 30 -9.046 -2.449 -9.061 247 HG22 THR 30 HG22 THR 30 -7.688 -2.874 -8.019 248 HG23 THR 30 HG23 THR 30 -9.296 -2.661 -7.328 249 H SER 31 H SER 31 -7.057 -6.664 -8.317 250 HA SER 31 HA SER 31 -8.403 -8.893 -9.185 251 HB2 SER 31 HB2 SER 31 -6.261 -10.059 -9.163 252 HB3 SER 31 HB3 SER 31 -6.029 -8.395 -9.690 253 HG SER 31 HG SER 31 -4.510 -9.085 -8.084 254 H GLY 32 H GLY 32 -6.925 -8.397 -5.989 255 HA2 GLY 32 HA2 GLY 32 -7.800 -10.971 -5.009 256 HA3 GLY 32 HA3 GLY 32 -7.022 -9.700 -4.069 257 H LYS 33 H LYS 33 -8.246 -8.559 -2.695 258 HA LYS 33 HA LYS 33 -11.095 -8.159 -3.176 259 HB2 LYS 33 HB2 LYS 33 -10.072 -9.714 -0.786 260 HB3 LYS 33 HB3 LYS 33 -11.712 -9.082 -0.942 261 HG2 LYS 33 HG2 LYS 33 -11.840 -10.379 -3.149 262 HG3 LYS 33 HG3 LYS 33 -10.367 -11.199 -2.630 263 HD2 LYS 33 HD2 LYS 33 -11.501 -11.916 -0.555 264 HD3 LYS 33 HD3 LYS 33 -12.979 -11.115 -1.091 265 HE2 LYS 33 HE2 LYS 33 -13.073 -12.574 -3.068 266 HE3 LYS 33 HE3 LYS 33 -11.576 -13.361 -2.569 267 HZ1 LYS 33 HZ1 LYS 33 -13.088 -14.775 -1.665 268 HZ2 LYS 33 HZ2 LYS 33 -14.262 -13.569 -1.426 269 HZ3 LYS 33 HZ3 LYS 33 -12.939 -13.692 -0.368 270 H CYS 34 H CYS 34 -9.224 -8.127 -0.167 271 HA CYS 34 HA CYS 34 -8.737 -6.454 1.308 272 HB2 CYS 34 HB2 CYS 34 -8.404 -5.102 -1.352 273 HB3 CYS 34 HB3 CYS 34 -8.220 -4.172 0.131 274 HA PRO 35 HA PRO 35 -12.390 -4.507 2.838 275 HB2 PRO 35 HB2 PRO 35 -10.775 -1.970 2.665 276 HB3 PRO 35 HB3 PRO 35 -11.854 -2.523 3.963 277 HG2 PRO 35 HG2 PRO 35 -9.207 -2.809 4.152 278 HG3 PRO 35 HG3 PRO 35 -10.318 -4.036 4.783 279 HD2 PRO 35 HD2 PRO 35 -8.523 -4.194 2.430 280 HD3 PRO 35 HD3 PRO 35 -9.284 -5.509 3.351 281 H GLN 36 H GLN 36 -10.785 -2.242 0.554 282 HA GLN 36 HA GLN 36 -12.976 -2.427 -1.314 283 HB2 GLN 36 HB2 GLN 36 -13.591 -0.014 -1.152 284 HB3 GLN 36 HB3 GLN 36 -14.032 -0.944 0.280 285 HG2 GLN 36 HG2 GLN 36 -11.859 -0.198 1.329 286 HG3 GLN 36 HG3 GLN 36 -11.635 0.878 -0.048 287 HE21 GLN 36 HE21 GLN 36 -11.980 1.798 2.700 288 HE22 GLN 36 HE22 GLN 36 -13.427 2.685 2.751 289 H LYS 37 H LYS 37 -12.642 -1.167 -3.233 290 HA LYS 37 HA LYS 37 -10.162 -1.269 -4.373 291 HB2 LYS 37 HB2 LYS 37 -12.393 -0.732 -5.471 292 HB3 LYS 37 HB3 LYS 37 -12.149 0.936 -4.958 293 HG2 LYS 37 HG2 LYS 37 -10.172 1.152 -6.290 294 HG3 LYS 37 HG3 LYS 37 -10.109 -0.584 -6.600 295 HD2 LYS 37 HD2 LYS 37 -12.049 -0.514 -7.984 296 HD3 LYS 37 HD3 LYS 37 -12.466 1.113 -7.446 297 HE2 LYS 37 HE2 LYS 37 -10.313 1.919 -8.491 298 HE3 LYS 37 HE3 LYS 37 -10.114 0.306 -9.176 299 HZ1 LYS 37 HZ1 LYS 37 -12.645 0.896 -9.848 300 HZ2 LYS 37 HZ2 LYS 37 -11.302 1.135 -10.860 301 HZ3 LYS 37 HZ3 LYS 37 -11.918 2.425 -9.941 302 H ALA 38 H ALA 38 -8.286 -0.145 -4.213 303 HA ALA 38 HA ALA 38 -8.178 2.621 -3.503 304 HB1 ALA 38 HB1 ALA 38 -6.805 2.119 -1.359 305 HB2 ALA 38 HB2 ALA 38 -7.610 0.552 -1.399 306 HB3 ALA 38 HB3 ALA 38 -8.563 2.029 -1.266 307 H VAL 39 H VAL 39 -5.828 3.298 -3.055 308 HA VAL 39 HA VAL 39 -4.053 1.758 -4.855 309 HB VAL 39 HB VAL 39 -2.960 3.772 -5.402 310 HG11 VAL 39 HG11 VAL 39 -5.822 4.658 -5.014 311 HG12 VAL 39 HG12 VAL 39 -5.363 3.463 -6.227 312 HG13 VAL 39 HG13 VAL 39 -4.713 5.098 -6.312 313 HG21 VAL 39 HG21 VAL 39 -4.337 4.901 -2.956 314 HG22 VAL 39 HG22 VAL 39 -3.594 5.928 -4.183 315 HG23 VAL 39 HG23 VAL 39 -2.604 4.788 -3.273 316 H ILE 40 H ILE 40 -2.111 1.009 -4.146 317 HA ILE 40 HA ILE 40 -1.540 1.333 -1.261 318 HB ILE 40 HB ILE 40 -0.902 -0.876 -3.220 319 HG12 ILE 40 HG12 ILE 40 -2.407 -0.965 -0.602 320 HG13 ILE 40 HG13 ILE 40 -3.199 -0.670 -2.148 321 HG21 ILE 40 HG21 ILE 40 1.044 -0.745 -1.837 322 HG22 ILE 40 HG22 ILE 40 0.046 -2.023 -1.144 323 HG23 ILE 40 HG23 ILE 40 0.081 -0.430 -0.394 324 HD11 ILE 40 HD11 ILE 40 -3.274 -3.065 -1.574 325 HD12 ILE 40 HD12 ILE 40 -1.516 -3.097 -1.463 326 HD13 ILE 40 HD13 ILE 40 -2.296 -2.798 -3.016 327 H PHE 41 H PHE 41 -0.038 2.910 -0.967 328 HA PHE 41 HA PHE 41 2.125 3.302 -2.875 329 HB2 PHE 41 HB2 PHE 41 1.706 4.567 -0.153 330 HB3 PHE 41 HB3 PHE 41 2.861 5.082 -1.379 331 HD1 PHE 41 HD2 PHE 41 1.885 5.668 -3.733 332 HD2 PHE 41 HD1 PHE 41 -0.444 5.487 -0.134 333 HE1 PHE 41 HE2 PHE 41 0.147 7.089 -4.790 334 HE2 PHE 41 HE1 PHE 41 -2.163 6.907 -1.179 335 HZ PHE 41 HZ PHE 41 -1.881 7.708 -3.509 336 H LYS 42 H LYS 42 3.906 2.079 -2.837 337 HA LYS 42 HA LYS 42 4.660 0.717 -0.313 338 HB2 LYS 42 HB2 LYS 42 5.909 -0.838 -1.754 339 HB3 LYS 42 HB3 LYS 42 4.205 -0.777 -2.205 340 HG2 LYS 42 HG2 LYS 42 4.945 1.050 -3.907 341 HG3 LYS 42 HG3 LYS 42 6.574 0.432 -3.632 342 HD2 LYS 42 HD2 LYS 42 4.184 -1.135 -4.642 343 HD3 LYS 42 HD3 LYS 42 5.644 -0.727 -5.546 344 HE2 LYS 42 HE2 LYS 42 6.933 -2.009 -3.735 345 HE3 LYS 42 HE3 LYS 42 5.367 -2.632 -3.216 346 HZ1 LYS 42 HZ1 LYS 42 5.163 -3.904 -5.046 347 HZ2 LYS 42 HZ2 LYS 42 6.859 -3.800 -5.072 348 HZ3 LYS 42 HZ3 LYS 42 5.927 -2.782 -6.064 349 H THR 43 H THR 43 6.367 1.445 0.740 350 HA THR 43 HA THR 43 8.332 3.152 -0.681 351 HB THR 43 HB THR 43 8.504 4.448 1.205 352 HG1 THR 43 HG1 THR 43 8.420 1.970 2.433 353 HG21 THR 43 HG21 THR 43 6.411 4.829 2.191 354 HG22 THR 43 HG22 THR 43 5.988 3.118 2.183 355 HG23 THR 43 HG23 THR 43 5.975 4.036 0.678 356 H LYS 44 H LYS 44 10.511 3.072 0.720 357 HA LYS 44 HA LYS 44 11.467 0.338 0.430 358 HB2 LYS 44 HB2 LYS 44 13.685 1.342 0.879 359 HB3 LYS 44 HB3 LYS 44 12.838 2.165 -0.431 360 HG2 LYS 44 HG2 LYS 44 12.062 3.890 1.181 361 HG3 LYS 44 HG3 LYS 44 12.981 3.087 2.454 362 HD2 LYS 44 HD2 LYS 44 15.053 3.392 1.074 363 HD3 LYS 44 HD3 LYS 44 14.099 4.338 -0.070 364 HE2 LYS 44 HE2 LYS 44 13.603 6.002 1.599 365 HE3 LYS 44 HE3 LYS 44 14.296 5.004 2.877 366 HZ1 LYS 44 HZ1 LYS 44 16.253 5.262 0.943 367 HZ2 LYS 44 HZ2 LYS 44 16.223 5.988 2.479 368 HZ3 LYS 44 HZ3 LYS 44 15.595 6.814 1.133 369 H LEU 45 H LEU 45 9.719 1.564 2.758 370 HA LEU 45 HA LEU 45 11.258 1.315 5.115 371 HB2 LEU 45 HB2 LEU 45 8.377 1.507 4.432 372 HB3 LEU 45 HB3 LEU 45 8.710 0.702 5.956 373 HG LEU 45 HG LEU 45 8.348 3.103 6.291 374 HD11 LEU 45 HD11 LEU 45 9.969 3.324 7.883 375 HD12 LEU 45 HD12 LEU 45 11.282 2.898 6.790 376 HD13 LEU 45 HD13 LEU 45 10.265 1.634 7.484 377 HD21 LEU 45 HD21 LEU 45 10.374 4.587 5.423 378 HD22 LEU 45 HD22 LEU 45 8.986 4.269 4.392 379 HD23 LEU 45 HD23 LEU 45 10.470 3.349 4.175 380 H ALA 46 H ALA 46 8.535 -0.870 4.902 381 HA ALA 46 HA ALA 46 10.018 -3.249 4.410 382 HB1 ALA 46 HB1 ALA 46 10.862 -2.487 6.713 383 HB2 ALA 46 HB2 ALA 46 10.289 -4.149 6.575 384 HB3 ALA 46 HB3 ALA 46 9.259 -2.919 7.307 385 H LYS 47 H LYS 47 7.233 -1.640 4.428 386 HA LYS 47 HA LYS 47 5.666 -4.066 4.183 387 HB2 LYS 47 HB2 LYS 47 4.154 -3.764 5.929 388 HB3 LYS 47 HB3 LYS 47 5.680 -3.323 6.681 389 HG2 LYS 47 HG2 LYS 47 3.594 -1.399 5.588 390 HG3 LYS 47 HG3 LYS 47 3.958 -1.693 7.278 391 HD2 LYS 47 HD2 LYS 47 5.904 -0.547 5.252 392 HD3 LYS 47 HD3 LYS 47 5.038 0.378 6.472 393 HE2 LYS 47 HE2 LYS 47 7.264 -1.611 6.847 394 HE3 LYS 47 HE3 LYS 47 7.104 0.011 7.511 395 HZ1 LYS 47 HZ1 LYS 47 5.033 -1.036 8.661 396 HZ2 LYS 47 HZ2 LYS 47 6.586 -1.257 9.317 397 HZ3 LYS 47 HZ3 LYS 47 5.863 -2.492 8.401 398 H ASP 48 H ASP 48 3.322 -3.500 3.642 399 HA ASP 48 HA ASP 48 3.372 -1.362 1.619 400 HB2 ASP 48 HB2 ASP 48 1.214 -3.433 2.013 401 HB3 ASP 48 HB3 ASP 48 1.582 -2.500 0.563 402 H ILE 49 H ILE 49 1.714 0.174 1.452 403 HA ILE 49 HA ILE 49 0.026 0.558 3.867 404 HB ILE 49 HB ILE 49 1.396 2.740 2.276 405 HG12 ILE 49 HG12 ILE 49 2.548 2.863 4.747 406 HG13 ILE 49 HG13 ILE 49 2.274 1.129 4.655 407 HG21 ILE 49 HG21 ILE 49 -0.143 2.759 4.888 408 HG22 ILE 49 HG22 ILE 49 -0.702 3.410 3.347 409 HG23 ILE 49 HG23 ILE 49 0.669 4.151 4.171 410 HD11 ILE 49 HD11 ILE 49 3.708 2.755 2.532 411 HD12 ILE 49 HD12 ILE 49 3.531 1.001 2.566 412 HD13 ILE 49 HD13 ILE 49 4.512 1.810 3.786 413 H CYS 50 H CYS 50 -2.086 0.846 3.433 414 HA CYS 50 HA CYS 50 -2.922 1.134 0.613 415 HB2 CYS 50 HB2 CYS 50 -4.549 0.384 3.053 416 HB3 CYS 50 HB3 CYS 50 -5.084 0.321 1.373 417 H ALA 51 H ALA 51 -4.708 2.563 0.104 418 HA ALA 51 HA ALA 51 -5.623 4.543 1.939 419 HB1 ALA 51 HB1 ALA 51 -4.272 6.351 1.502 420 HB2 ALA 51 HB2 ALA 51 -3.965 5.855 -0.163 421 HB3 ALA 51 HB3 ALA 51 -3.095 5.085 1.159 422 H ASP 52 H ASP 52 -7.480 5.410 1.198 423 HA ASP 52 HA ASP 52 -8.465 4.562 -1.381 424 HB2 ASP 52 HB2 ASP 52 -9.763 4.674 0.838 425 HB3 ASP 52 HB3 ASP 52 -9.872 6.407 0.543 426 HA PRO 53 HA PRO 53 -7.320 8.384 -3.436 427 HB2 PRO 53 HB2 PRO 53 -9.010 8.293 -5.604 428 HB3 PRO 53 HB3 PRO 53 -7.534 7.319 -5.467 429 HG2 PRO 53 HG2 PRO 53 -10.367 6.536 -4.942 430 HG3 PRO 53 HG3 PRO 53 -9.076 5.629 -5.756 431 HD2 PRO 53 HD2 PRO 53 -9.789 5.132 -3.181 432 HD3 PRO 53 HD3 PRO 53 -8.120 4.926 -3.756 433 H LYS 54 H LYS 54 -8.484 9.221 -1.365 434 HA LYS 54 HA LYS 54 -10.551 11.131 -2.253 435 HB2 LYS 54 HB2 LYS 54 -10.664 9.546 0.330 436 HB3 LYS 54 HB3 LYS 54 -11.785 10.815 -0.147 437 HG2 LYS 54 HG2 LYS 54 -11.343 8.295 -1.774 438 HG3 LYS 54 HG3 LYS 54 -12.602 8.447 -0.554 439 HD2 LYS 54 HD2 LYS 54 -13.338 10.567 -1.848 440 HD3 LYS 54 HD3 LYS 54 -12.328 9.958 -3.157 441 HE2 LYS 54 HE2 LYS 54 -14.666 9.216 -3.422 442 HE3 LYS 54 HE3 LYS 54 -13.589 7.844 -3.163 443 HZ1 LYS 54 HZ1 LYS 54 -15.823 8.293 -1.760 444 HZ2 LYS 54 HZ2 LYS 54 -14.666 9.023 -0.753 445 HZ3 LYS 54 HZ3 LYS 54 -14.508 7.389 -1.188 446 H LYS 55 H LYS 55 -8.237 10.144 0.236 447 HA LYS 55 HA LYS 55 -8.089 12.723 1.462 448 HB2 LYS 55 HB2 LYS 55 -5.682 11.136 1.898 449 HB3 LYS 55 HB3 LYS 55 -6.938 11.572 3.050 450 HG2 LYS 55 HG2 LYS 55 -8.350 9.702 2.130 451 HG3 LYS 55 HG3 LYS 55 -6.983 9.225 1.133 452 HD2 LYS 55 HD2 LYS 55 -6.675 7.839 2.981 453 HD3 LYS 55 HD3 LYS 55 -5.677 9.216 3.431 454 HE2 LYS 55 HE2 LYS 55 -7.133 8.488 5.299 455 HE3 LYS 55 HE3 LYS 55 -7.514 10.130 4.788 456 HZ1 LYS 55 HZ1 LYS 55 -9.176 7.849 4.804 457 HZ2 LYS 55 HZ2 LYS 55 -9.040 8.437 3.217 458 HZ3 LYS 55 HZ3 LYS 55 -9.584 9.459 4.461 459 H LYS 56 H LYS 56 -6.670 14.369 1.121 460 HA LYS 56 HA LYS 56 -5.816 14.981 -1.397 461 HB2 LYS 56 HB2 LYS 56 -5.965 16.633 0.383 462 HB3 LYS 56 HB3 LYS 56 -4.586 15.903 1.205 463 HG2 LYS 56 HG2 LYS 56 -3.083 16.533 -0.530 464 HG3 LYS 56 HG3 LYS 56 -4.402 16.911 -1.638 465 HD2 LYS 56 HD2 LYS 56 -3.339 18.949 -0.645 466 HD3 LYS 56 HD3 LYS 56 -5.060 18.820 -0.286 467 HE2 LYS 56 HE2 LYS 56 -4.658 18.125 1.943 468 HE3 LYS 56 HE3 LYS 56 -2.971 17.735 1.607 469 HZ1 LYS 56 HZ1 LYS 56 -2.449 20.020 1.379 470 HZ2 LYS 56 HZ2 LYS 56 -3.337 19.865 2.819 471 HZ3 LYS 56 HZ3 LYS 56 -4.080 20.478 1.420 472 H TRP 57 H TRP 57 -3.561 13.815 1.168 473 HA TRP 57 HA TRP 57 -1.316 13.770 -0.470 474 HB2 TRP 57 HB2 TRP 57 -0.239 12.423 1.148 475 HB3 TRP 57 HB3 TRP 57 -1.339 13.477 2.026 476 HD1 TRP 57 HD1 TRP 57 -3.579 12.379 3.003 477 HE1 TRP 57 HE1 TRP 57 -4.106 9.953 3.684 478 HE3 TRP 57 HE3 TRP 57 0.208 9.926 0.589 479 HZ2 TRP 57 HZ2 TRP 57 -3.072 7.322 3.261 480 HZ3 TRP 57 HZ3 TRP 57 0.409 7.467 0.748 481 HH2 TRP 57 HH2 TRP 57 -1.225 6.160 2.080 482 H VAL 58 H VAL 58 -3.897 11.382 -0.248 483 HA VAL 58 HA VAL 58 -2.499 9.289 -1.562 484 HB VAL 58 HB VAL 58 -5.465 9.898 -1.463 485 HG11 VAL 58 HG11 VAL 58 -3.954 7.470 -2.457 486 HG12 VAL 58 HG12 VAL 58 -5.048 8.481 -3.383 487 HG13 VAL 58 HG13 VAL 58 -5.671 7.459 -2.087 488 HG21 VAL 58 HG21 VAL 58 -3.601 8.151 0.155 489 HG22 VAL 58 HG22 VAL 58 -5.345 7.901 0.142 490 HG23 VAL 58 HG23 VAL 58 -4.675 9.418 0.733 491 H GLN 59 H GLN 59 -4.832 11.684 -2.821 492 HA GLN 59 HA GLN 59 -4.458 10.962 -5.538 493 HB2 GLN 59 HB2 GLN 59 -5.305 13.743 -4.787 494 HB3 GLN 59 HB3 GLN 59 -5.941 12.674 -6.038 495 HG2 GLN 59 HG2 GLN 59 -6.661 11.184 -3.957 496 HG3 GLN 59 HG3 GLN 59 -6.530 12.709 -3.090 497 HE21 GLN 59 HE21 GLN 59 -8.638 10.825 -4.986 498 HE22 GLN 59 HE22 GLN 59 -9.773 12.035 -5.347 499 H ASP 60 H ASP 60 -2.844 13.253 -3.426 500 HA ASP 60 HA ASP 60 -1.417 14.606 -5.512 501 HB2 ASP 60 HB2 ASP 60 -1.952 15.502 -3.190 502 HB3 ASP 60 HB3 ASP 60 -0.643 14.477 -2.603 503 H SER 61 H SER 61 -0.658 11.953 -3.289 504 HA SER 61 HA SER 61 2.082 11.766 -3.764 505 HB2 SER 61 HB2 SER 61 0.083 9.599 -3.122 506 HB3 SER 61 HB3 SER 61 1.831 9.375 -3.092 507 HG SER 61 HG SER 61 1.146 11.606 -1.760 508 H MET 62 H MET 62 -0.548 10.002 -5.471 509 HA MET 62 HA MET 62 1.225 8.723 -7.287 510 HB2 MET 62 HB2 MET 62 -0.906 8.448 -8.694 511 HB3 MET 62 HB3 MET 62 -0.900 7.718 -7.090 512 HG2 MET 62 HG2 MET 62 -2.297 9.373 -6.197 513 HG3 MET 62 HG3 MET 62 -1.944 10.516 -7.483 514 HE1 MET 62 HE1 MET 62 -4.379 8.209 -6.027 515 HE2 MET 62 HE2 MET 62 -3.366 6.961 -6.751 516 HE3 MET 62 HE3 MET 62 -5.018 7.187 -7.322 517 H LYS 63 H LYS 63 -0.545 11.781 -7.397 518 HA LYS 63 HA LYS 63 -0.054 12.421 -10.095 519 HB2 LYS 63 HB2 LYS 63 -1.661 13.700 -8.811 520 HB3 LYS 63 HB3 LYS 63 -0.419 14.196 -7.667 521 HG2 LYS 63 HG2 LYS 63 -0.989 15.967 -9.345 522 HG3 LYS 63 HG3 LYS 63 0.711 15.509 -9.373 523 HD2 LYS 63 HD2 LYS 63 0.477 14.288 -11.379 524 HD3 LYS 63 HD3 LYS 63 -1.273 14.160 -11.207 525 HE2 LYS 63 HE2 LYS 63 0.217 16.758 -11.688 526 HE3 LYS 63 HE3 LYS 63 -0.583 15.818 -12.948 527 HZ1 LYS 63 HZ1 LYS 63 -1.731 17.464 -10.848 528 HZ2 LYS 63 HZ2 LYS 63 -2.541 16.005 -11.169 529 HZ3 LYS 63 HZ3 LYS 63 -2.305 17.141 -12.411 530 H TYR 64 H TYR 64 1.800 12.953 -7.143 531 HA TYR 64 HA TYR 64 3.897 14.469 -8.283 532 HB2 TYR 64 HB2 TYR 64 4.117 14.639 -6.011 533 HB3 TYR 64 HB3 TYR 64 3.308 13.102 -5.738 534 HD1 TYR 64 HD1 TYR 64 6.502 14.130 -7.445 535 HD2 TYR 64 HD2 TYR 64 4.628 11.641 -4.484 536 HE1 TYR 64 HE1 TYR 64 8.691 13.080 -6.940 537 HE2 TYR 64 HE2 TYR 64 6.817 10.596 -3.976 538 HH TYR 64 HH TYR 64 9.793 11.861 -5.232 539 H LEU 65 H LEU 65 3.271 11.021 -8.020 540 HA LEU 65 HA LEU 65 5.861 10.205 -8.950 541 HB2 LEU 65 HB2 LEU 65 3.224 8.814 -8.512 542 HB3 LEU 65 HB3 LEU 65 4.541 7.983 -9.336 543 HG LEU 65 HG LEU 65 5.121 9.375 -6.727 544 HD11 LEU 65 HD11 LEU 65 4.622 7.022 -5.682 545 HD12 LEU 65 HD12 LEU 65 3.557 6.832 -7.069 546 HD13 LEU 65 HD13 LEU 65 3.294 8.155 -5.936 547 HD21 LEU 65 HD21 LEU 65 6.164 6.688 -7.599 548 HD22 LEU 65 HD22 LEU 65 6.962 7.940 -6.651 549 HD23 LEU 65 HD23 LEU 65 6.782 8.138 -8.389 550 H ASP 66 H ASP 66 2.997 11.349 -10.424 551 HA ASP 66 HA ASP 66 3.306 10.087 -12.971 552 HB2 ASP 66 HB2 ASP 66 1.215 11.202 -11.931 553 HB3 ASP 66 HB3 ASP 66 1.902 12.715 -12.514 554 H GLN 67 H GLN 67 4.487 13.051 -11.505 555 HA GLN 67 HA GLN 67 5.363 14.350 -13.856 556 HB2 GLN 67 HB2 GLN 67 6.472 14.538 -11.047 557 HB3 GLN 67 HB3 GLN 67 6.762 15.690 -12.352 558 HG2 GLN 67 HG2 GLN 67 3.995 14.982 -11.350 559 HG3 GLN 67 HG3 GLN 67 4.921 16.352 -10.741 560 HE21 GLN 67 HE21 GLN 67 2.670 15.461 -13.107 561 HE22 GLN 67 HE22 GLN 67 2.892 16.770 -14.165 562 H LYS 68 H LYS 68 7.198 12.394 -11.493 563 HA LYS 68 HA LYS 68 9.550 12.365 -13.145 564 HB2 LYS 68 HB2 LYS 68 10.411 10.755 -11.466 565 HB3 LYS 68 HB3 LYS 68 9.780 12.228 -10.730 566 HG2 LYS 68 HG2 LYS 68 7.553 10.938 -10.496 567 HG3 LYS 68 HG3 LYS 68 8.505 9.492 -10.830 568 HD2 LYS 68 HD2 LYS 68 9.104 11.477 -8.614 569 HD3 LYS 68 HD3 LYS 68 8.272 9.940 -8.384 570 HE2 LYS 68 HE2 LYS 68 10.514 9.436 -7.857 571 HE3 LYS 68 HE3 LYS 68 10.353 8.880 -9.523 572 HZ1 LYS 68 HZ1 LYS 68 11.939 10.282 -10.115 573 HZ2 LYS 68 HZ2 LYS 68 12.112 10.796 -8.503 574 HZ3 LYS 68 HZ3 LYS 68 11.035 11.598 -9.544 575 H SER 69 H SER 69 6.835 10.194 -12.580 576 HA SER 69 HA SER 69 6.151 8.295 -13.683 577 HB2 SER 69 HB2 SER 69 8.075 9.056 -15.871 578 HB3 SER 69 HB3 SER 69 6.563 8.163 -16.009 579 HG SER 69 HG SER 69 6.956 10.779 -16.169 580 HA PRO 70 HA PRO 70 9.978 5.983 -12.556 581 HB2 PRO 70 HB2 PRO 70 8.965 4.438 -10.590 582 HB3 PRO 70 HB3 PRO 70 9.381 6.141 -10.309 583 HG2 PRO 70 HG2 PRO 70 6.706 4.900 -10.764 584 HG3 PRO 70 HG3 PRO 70 7.171 6.198 -9.651 585 HD2 PRO 70 HD2 PRO 70 5.974 6.601 -12.144 586 HD3 PRO 70 HD3 PRO 70 6.900 7.834 -11.260 587 H THR 71 H THR 71 7.192 5.313 -14.157 588 HA THR 71 HA THR 71 6.338 3.509 -15.315 589 HB THR 71 HB THR 71 7.937 2.391 -16.677 590 HG1 THR 71 HG1 THR 71 10.132 3.224 -15.212 591 HG21 THR 71 HG21 THR 71 7.781 4.858 -16.995 592 HG22 THR 71 HG22 THR 71 9.364 4.218 -17.436 593 HG23 THR 71 HG23 THR 71 9.150 5.057 -15.900 594 HA PRO 72 HA PRO 72 6.575 0.891 -11.408 595 HB2 PRO 72 HB2 PRO 72 3.775 0.545 -12.448 596 HB3 PRO 72 HB3 PRO 72 4.341 0.697 -10.771 597 HG2 PRO 72 HG2 PRO 72 3.210 2.755 -12.006 598 HG3 PRO 72 HG3 PRO 72 4.598 2.993 -10.926 599 HD2 PRO 72 HD2 PRO 72 4.503 3.095 -13.916 600 HD3 PRO 72 HD3 PRO 72 5.551 3.988 -12.792 601 H LYS 73 H LYS 73 7.255 -1.178 -11.507 602 HA LYS 73 HA LYS 73 7.734 -2.599 -13.797 603 HB2 LYS 73 HB2 LYS 73 7.589 -4.665 -12.204 604 HB3 LYS 73 HB3 LYS 73 8.785 -3.414 -11.866 605 HG2 LYS 73 HG2 LYS 73 7.382 -2.414 -10.186 606 HG3 LYS 73 HG3 LYS 73 6.020 -3.440 -10.636 607 HD2 LYS 73 HD2 LYS 73 7.397 -5.441 -9.990 608 HD3 LYS 73 HD3 LYS 73 8.630 -4.335 -9.382 609 HE2 LYS 73 HE2 LYS 73 5.788 -4.655 -8.392 610 HE3 LYS 73 HE3 LYS 73 7.281 -4.939 -7.495 611 HZ1 LYS 73 HZ1 LYS 73 7.023 -2.853 -6.796 612 HZ2 LYS 73 HZ2 LYS 73 5.885 -2.479 -8.000 613 HZ3 LYS 73 HZ3 LYS 73 7.547 -2.384 -8.340 614 HA PRO 74 HA PRO 74 3.777 -4.068 -15.159 615 HB2 PRO 74 HB2 PRO 74 4.449 -6.364 -16.476 616 HB3 PRO 74 HB3 PRO 74 4.859 -4.752 -17.098 617 HG2 PRO 74 HG2 PRO 74 6.576 -6.686 -15.596 618 HG3 PRO 74 HG3 PRO 74 6.968 -5.709 -17.024 619 HD2 PRO 74 HD2 PRO 74 7.726 -4.977 -14.506 620 HD3 PRO 74 HD3 PRO 74 7.351 -3.786 -15.771 621 H1 VAL 208 H1 VAL 208 -12.378 10.699 5.294 622 H2 VAL 208 H2 VAL 208 -12.802 11.076 6.895 623 H3 VAL 208 H3 VAL 208 -11.185 11.202 6.390 624 HA VAL 208 HA VAL 208 -13.122 12.771 4.892 625 HB VAL 208 HB VAL 208 -13.901 13.053 7.222 626 HG11 VAL 208 HG11 VAL 208 -11.645 12.467 8.221 627 HG12 VAL 208 HG12 VAL 208 -12.431 13.869 8.945 628 HG13 VAL 208 HG13 VAL 208 -11.114 14.094 7.795 629 HG21 VAL 208 HG21 VAL 208 -13.809 15.457 7.264 630 HG22 VAL 208 HG22 VAL 208 -13.798 14.980 5.566 631 HG23 VAL 208 HG23 VAL 208 -12.298 15.474 6.352 632 H GLU 209 H GLU 209 -10.067 12.167 6.486 633 HA GLU 209 HA GLU 209 -8.612 13.494 4.396 634 HB2 GLU 209 HB2 GLU 209 -9.351 15.398 5.896 635 HB3 GLU 209 HB3 GLU 209 -8.344 14.688 7.159 636 HG2 GLU 209 HG2 GLU 209 -6.997 16.337 6.051 637 HG3 GLU 209 HG3 GLU 209 -6.415 14.761 5.514 638 H THR 210 H THR 210 -8.617 12.066 7.625 639 HA THR 210 HA THR 210 -6.605 10.178 6.984 640 HB THR 210 HB THR 210 -4.927 11.802 7.109 641 HG1 THR 210 HG1 THR 210 -4.534 11.582 9.688 642 HG21 THR 210 HG21 THR 210 -6.159 13.734 7.744 643 HG22 THR 210 HG22 THR 210 -4.955 13.519 9.014 644 HG23 THR 210 HG23 THR 210 -6.625 13.023 9.288 645 H PHE 211 H PHE 211 -5.679 9.243 9.190 646 HA PHE 211 HA PHE 211 -7.757 9.315 11.284 647 HB2 PHE 211 HB2 PHE 211 -6.595 6.691 10.371 648 HB3 PHE 211 HB3 PHE 211 -8.041 6.985 11.333 649 HD1 PHE 211 HD1 PHE 211 -9.718 8.755 10.052 650 HD2 PHE 211 HD2 PHE 211 -7.027 5.974 8.180 651 HE1 PHE 211 HE1 PHE 211 -11.096 8.803 7.991 652 HE2 PHE 211 HE2 PHE 211 -8.406 6.026 6.124 653 HZ PHE 211 HZ PHE 211 -10.436 7.439 6.029 654 H GLY 212 H GLY 212 -5.436 10.664 11.547 655 HA2 GLY 212 HA2 GLY 212 -4.192 9.306 13.784 656 HA3 GLY 212 HA3 GLY 212 -3.114 9.576 12.417 657 H THR 213 H THR 213 -2.034 10.862 14.249 658 HA THR 213 HA THR 213 -2.328 13.623 13.720 659 HB THR 213 HB THR 213 -4.319 13.617 15.024 660 HG1 THR 213 HG1 THR 213 -3.271 15.329 15.738 661 HG21 THR 213 HG21 THR 213 -4.041 11.412 16.060 662 HG22 THR 213 HG22 THR 213 -4.393 12.624 17.292 663 HG23 THR 213 HG23 THR 213 -2.744 12.040 17.076 664 H THR 214 H THR 214 -0.173 11.862 13.764 665 HA THR 214 HA THR 214 1.659 13.288 15.435 666 HB THR 214 HB THR 214 1.152 10.385 16.135 667 HG1 THR 214 HG1 THR 214 0.805 11.705 18.233 668 HG21 THR 214 HG21 THR 214 3.472 10.837 16.411 669 HG22 THR 214 HG22 THR 214 2.768 11.022 18.017 670 HG23 THR 214 HG23 THR 214 3.157 12.448 17.056 671 H SER 215 H SER 215 2.394 13.515 13.184 672 HA SER 215 HA SER 215 3.602 12.882 11.306 673 HB2 SER 215 HB2 SER 215 5.291 11.377 13.300 674 HB3 SER 215 HB3 SER 215 5.812 12.213 11.841 675 HG SER 215 HG SER 215 4.804 14.123 13.009 676 H TYS 216 H TYS 216 5.221 10.569 10.932 677 HA TYS 216 HA TYS 216 3.402 8.280 11.119 678 HB2 TYS 216 HB2 TYS 216 2.999 9.605 8.924 679 HB3 TYS 216 HB1 TYS 216 4.572 8.981 8.423 680 HD1 TYS 216 HD1 TYS 216 4.698 6.850 7.445 681 HD2 TYS 216 HD2 TYS 216 1.307 7.845 9.886 682 HE1 TYS 216 HE1 TYS 216 3.657 4.663 6.891 683 HE2 TYS 216 HE2 TYS 216 0.267 5.664 9.324 684 H TYS 217 H TYS 217 6.427 9.638 11.242 685 HA TYS 217 HA TYS 217 7.687 7.130 11.793 686 HB2 TYS 217 HB2 TYS 217 8.272 8.544 9.198 687 HB3 TYS 217 HB1 TYS 217 9.548 7.641 10.006 688 HD1 TYS 217 HD1 TYS 217 8.659 5.227 10.945 689 HD2 TYS 217 HD2 TYS 217 7.085 7.366 7.558 690 HE1 TYS 217 HE1 TYS 217 7.760 3.113 10.025 691 HE2 TYS 217 HE2 TYS 217 6.192 5.241 6.642 692 H ASP 218 H ASP 218 7.297 9.225 13.435 693 HA ASP 218 HA ASP 218 9.042 11.326 13.589 694 HB2 ASP 218 HB2 ASP 218 8.102 9.491 15.802 695 HB3 ASP 218 HB3 ASP 218 8.963 11.002 16.089 696 H ASP 219 H ASP 219 9.690 8.196 15.179 697 HA ASP 219 HA ASP 219 12.550 8.777 15.229 698 HB2 ASP 219 HB2 ASP 219 11.228 6.213 16.103 699 HB3 ASP 219 HB3 ASP 219 12.751 6.907 16.657 700 H VAL 220 H VAL 220 13.367 8.612 13.190 701 HA VAL 220 HA VAL 220 12.596 6.807 11.206 702 HB VAL 220 HB VAL 220 15.440 7.764 11.520 703 HG11 VAL 220 HG11 VAL 220 13.576 7.380 9.155 704 HG12 VAL 220 HG12 VAL 220 14.927 6.335 9.593 705 HG13 VAL 220 HG13 VAL 220 15.229 7.986 9.051 706 HG21 VAL 220 HG21 VAL 220 14.553 9.860 10.323 707 HG22 VAL 220 HG22 VAL 220 14.193 9.727 12.044 708 HG23 VAL 220 HG23 VAL 220 12.948 9.349 10.853 709 H GLY 221 H GLY 221 13.924 6.090 14.154 710 HA2 GLY 221 HA2 GLY 221 15.387 3.696 13.239 711 HA3 GLY 221 HA3 GLY 221 15.391 4.356 14.874 712 H LEU 222 H LEU 222 12.313 4.460 13.611 713 HA LEU 222 HA LEU 222 11.295 2.514 15.429 714 HB2 LEU 222 HB2 LEU 222 9.958 4.443 14.895 715 HB3 LEU 222 HB3 LEU 222 10.027 4.083 13.173 716 HG LEU 222 HG LEU 222 8.679 2.089 13.471 717 HD11 LEU 222 HD11 LEU 222 9.106 2.672 16.405 718 HD12 LEU 222 HD12 LEU 222 9.393 1.168 15.531 719 HD13 LEU 222 HD13 LEU 222 7.744 1.693 15.859 720 HD21 LEU 222 HD21 LEU 222 7.418 4.252 15.173 721 HD22 LEU 222 HD22 LEU 222 6.608 3.109 14.101 722 HD23 LEU 222 HD23 LEU 222 7.599 4.404 13.425 723 H LEU 223 H LEU 223 11.422 2.648 11.864 724 HA LEU 223 HA LEU 223 10.267 0.221 11.269 725 HB2 LEU 223 HB2 LEU 223 11.308 0.351 9.147 726 HB3 LEU 223 HB3 LEU 223 11.107 2.023 9.664 727 HG LEU 223 HG LEU 223 13.653 0.374 9.763 728 HD11 LEU 223 HD11 LEU 223 14.486 2.033 8.211 729 HD12 LEU 223 HD12 LEU 223 13.014 2.991 8.375 730 HD13 LEU 223 HD13 LEU 223 12.957 1.415 7.584 731 HD21 LEU 223 HD21 LEU 223 12.940 3.053 10.978 732 HD22 LEU 223 HD22 LEU 223 14.606 2.614 10.606 733 HD23 LEU 223 HD23 LEU 223 13.684 1.666 11.770 Start of MODEL 9 1 H1 GLY 1 H1 GLY 1 -1.739 -17.056 9.742 2 H2 GLY 1 H2 GLY 1 -3.380 -17.056 9.298 3 H3 GLY 1 H3 GLY 1 -2.886 -16.299 10.737 4 HA2 GLY 1 HA2 GLY 1 -2.308 -14.418 9.717 5 HA3 GLY 1 HA3 GLY 1 -1.535 -15.302 8.401 6 HA PRO 2 HA PRO 2 -6.132 -15.250 7.110 7 HB2 PRO 2 HB2 PRO 2 -8.017 -14.257 8.803 8 HB3 PRO 2 HB3 PRO 2 -7.426 -15.928 8.918 9 HG2 PRO 2 HG2 PRO 2 -6.649 -13.535 10.535 10 HG3 PRO 2 HG3 PRO 2 -6.968 -15.197 11.069 11 HD2 PRO 2 HD2 PRO 2 -4.429 -14.210 10.690 12 HD3 PRO 2 HD3 PRO 2 -4.838 -15.930 10.500 13 H ALA 3 H ALA 3 -4.271 -12.769 8.099 14 HA ALA 3 HA ALA 3 -5.833 -10.451 7.708 15 HB1 ALA 3 HB1 ALA 3 -2.879 -10.807 7.153 16 HB2 ALA 3 HB2 ALA 3 -3.569 -10.471 8.741 17 HB3 ALA 3 HB3 ALA 3 -3.718 -9.284 7.446 18 H SER 4 H SER 4 -7.122 -11.254 5.850 19 HA SER 4 HA SER 4 -7.624 -11.375 3.602 20 HB2 SER 4 HB2 SER 4 -5.576 -9.160 3.403 21 HB3 SER 4 HB3 SER 4 -6.937 -9.454 2.323 22 HG SER 4 HG SER 4 -6.911 -7.965 4.467 23 H VAL 5 H VAL 5 -6.400 -11.199 1.289 24 HA VAL 5 HA VAL 5 -5.017 -13.525 0.891 25 HB VAL 5 HB VAL 5 -4.060 -12.353 -1.172 26 HG11 VAL 5 HG11 VAL 5 -6.112 -13.545 -1.414 27 HG12 VAL 5 HG12 VAL 5 -6.411 -11.949 -2.104 28 HG13 VAL 5 HG13 VAL 5 -7.005 -12.337 -0.490 29 HG21 VAL 5 HG21 VAL 5 -4.934 -10.102 -1.622 30 HG22 VAL 5 HG22 VAL 5 -3.972 -10.096 -0.144 31 HG23 VAL 5 HG23 VAL 5 -5.733 -10.085 -0.050 32 HA PRO 6 HA PRO 6 -0.993 -12.840 2.627 33 HB2 PRO 6 HB2 PRO 6 0.562 -14.504 1.104 34 HB3 PRO 6 HB3 PRO 6 -0.589 -15.103 2.316 35 HG2 PRO 6 HG2 PRO 6 -0.912 -14.891 -0.648 36 HG3 PRO 6 HG3 PRO 6 -1.376 -16.211 0.443 37 HD2 PRO 6 HD2 PRO 6 -3.180 -14.384 -0.480 38 HD3 PRO 6 HD3 PRO 6 -3.335 -15.147 1.115 39 H THR 7 H THR 7 -1.922 -11.647 -0.284 40 HA THR 7 HA THR 7 0.654 -10.775 -1.297 41 HB THR 7 HB THR 7 -0.696 -9.554 -2.964 42 HG1 THR 7 HG1 THR 7 -2.606 -9.004 -2.335 43 HG21 THR 7 HG21 THR 7 -1.693 -12.373 -2.470 44 HG22 THR 7 HG22 THR 7 -0.181 -11.961 -3.279 45 HG23 THR 7 HG23 THR 7 -1.722 -11.515 -4.011 46 H THR 8 H THR 8 -1.993 -8.526 -1.162 47 HA THR 8 HA THR 8 -0.881 -7.004 1.056 48 HB THR 8 HB THR 8 -0.607 -4.950 -0.347 49 HG1 THR 8 HG1 THR 8 -1.702 -6.545 -2.154 50 HG21 THR 8 HG21 THR 8 1.159 -7.181 -1.362 51 HG22 THR 8 HG22 THR 8 1.281 -6.568 0.287 52 HG23 THR 8 HG23 THR 8 1.588 -5.495 -1.078 53 H CYS 9 H CYS 9 -2.682 -6.612 2.170 54 HA CYS 9 HA CYS 9 -4.737 -4.936 1.173 55 HB2 CYS 9 HB2 CYS 9 -5.463 -6.928 -0.037 56 HB3 CYS 9 HB3 CYS 9 -5.448 -7.866 1.456 57 H CYS 10 H CYS 10 -3.750 -4.103 3.211 58 HA CYS 10 HA CYS 10 -4.021 -5.300 5.713 59 HB2 CYS 10 HB2 CYS 10 -3.711 -3.122 6.644 60 HB3 CYS 10 HB3 CYS 10 -2.773 -3.168 5.151 61 H PHE 11 H PHE 11 -5.506 -3.481 7.253 62 HA PHE 11 HA PHE 11 -8.110 -4.640 7.054 63 HB2 PHE 11 HB2 PHE 11 -7.239 -2.275 8.728 64 HB3 PHE 11 HB3 PHE 11 -8.647 -3.302 8.996 65 HD1 PHE 11 HD1 PHE 11 -4.975 -3.090 9.179 66 HD2 PHE 11 HD2 PHE 11 -8.411 -5.580 9.848 67 HE1 PHE 11 HE1 PHE 11 -3.579 -4.662 10.496 68 HE2 PHE 11 HE2 PHE 11 -7.015 -7.152 11.164 69 HZ PHE 11 HZ PHE 11 -4.599 -6.693 11.488 70 H ASN 12 H ASN 12 -7.168 -1.191 7.002 71 HA ASN 12 HA ASN 12 -9.155 -0.714 4.868 72 HB2 ASN 12 HB2 ASN 12 -8.904 1.136 7.236 73 HB3 ASN 12 HB3 ASN 12 -10.172 1.084 6.012 74 HD21 ASN 12 HD21 ASN 12 -9.120 -0.254 9.060 75 HD22 ASN 12 HD22 ASN 12 -10.430 -1.313 9.271 76 H LEU 13 H LEU 13 -8.549 2.244 5.672 77 HA LEU 13 HA LEU 13 -6.272 2.502 3.842 78 HB2 LEU 13 HB2 LEU 13 -7.767 4.810 5.069 79 HB3 LEU 13 HB3 LEU 13 -6.953 4.715 3.506 80 HG LEU 13 HG LEU 13 -9.503 3.300 4.307 81 HD11 LEU 13 HD11 LEU 13 -10.065 5.522 3.756 82 HD12 LEU 13 HD12 LEU 13 -10.315 4.647 2.245 83 HD13 LEU 13 HD13 LEU 13 -8.852 5.607 2.479 84 HD21 LEU 13 HD21 LEU 13 -7.745 3.076 1.856 85 HD22 LEU 13 HD22 LEU 13 -9.451 2.629 1.820 86 HD23 LEU 13 HD23 LEU 13 -8.339 1.777 2.890 87 H ALA 14 H ALA 14 -4.458 3.840 4.343 88 HA ALA 14 HA ALA 14 -3.395 3.367 6.939 89 HB1 ALA 14 HB1 ALA 14 -2.369 5.289 4.843 90 HB2 ALA 14 HB2 ALA 14 -2.041 3.558 4.842 91 HB3 ALA 14 HB3 ALA 14 -1.449 4.567 6.162 92 H ASN 15 H ASN 15 -2.033 5.968 7.150 93 HA ASN 15 HA ASN 15 -4.143 7.873 7.777 94 HB2 ASN 15 HB2 ASN 15 -2.309 7.024 10.013 95 HB3 ASN 15 HB3 ASN 15 -3.794 7.972 10.105 96 HD21 ASN 15 HD21 ASN 15 -2.542 4.831 10.478 97 HD22 ASN 15 HD22 ASN 15 -4.011 3.982 10.434 98 H ARG 16 H ARG 16 -3.346 9.977 8.224 99 HA ARG 16 HA ARG 16 -1.938 11.755 7.881 100 HB2 ARG 16 HB2 ARG 16 0.241 9.797 8.637 101 HB3 ARG 16 HB3 ARG 16 0.319 11.555 8.729 102 HG2 ARG 16 HG2 ARG 16 -1.379 11.615 10.447 103 HG3 ARG 16 HG3 ARG 16 -1.709 9.896 10.254 104 HD2 ARG 16 HD2 ARG 16 1.125 10.376 10.833 105 HD3 ARG 16 HD3 ARG 16 0.080 11.019 12.095 106 HE ARG 16 HE ARG 16 -0.556 8.313 11.237 107 HH11 ARG 16 HH21 ARG 16 1.188 10.385 13.394 108 HH12 ARG 16 HH22 ARG 16 1.378 9.177 14.620 109 HH21 ARG 16 HH11 ARG 16 -0.310 6.726 12.841 110 HH22 ARG 16 HH12 ARG 16 0.530 7.105 14.307 111 H LYS 17 H LYS 17 0.443 12.176 6.791 112 HA LYS 17 HA LYS 17 0.131 11.151 4.047 113 HB2 LYS 17 HB2 LYS 17 0.175 13.538 4.180 114 HB3 LYS 17 HB3 LYS 17 1.602 13.521 5.214 115 HG2 LYS 17 HG2 LYS 17 3.040 12.936 3.456 116 HG3 LYS 17 HG3 LYS 17 1.739 12.265 2.476 117 HD2 LYS 17 HD2 LYS 17 2.467 14.411 1.541 118 HD3 LYS 17 HD3 LYS 17 0.823 14.555 2.163 119 HE2 LYS 17 HE2 LYS 17 1.583 15.659 4.156 120 HE3 LYS 17 HE3 LYS 17 3.269 15.294 3.787 121 HZ1 LYS 17 HZ1 LYS 17 2.045 17.593 3.160 122 HZ2 LYS 17 HZ2 LYS 17 1.853 16.724 1.712 123 HZ3 LYS 17 HZ3 LYS 17 3.405 16.987 2.349 124 H ILE 18 H ILE 18 1.608 9.912 3.060 125 HA ILE 18 HA ILE 18 3.694 8.709 4.629 126 HB ILE 18 HB ILE 18 2.544 8.365 1.885 127 HG12 ILE 18 HG12 ILE 18 1.828 7.163 4.084 128 HG13 ILE 18 HG13 ILE 18 1.985 6.214 2.616 129 HG21 ILE 18 HG21 ILE 18 4.312 6.607 1.406 130 HG22 ILE 18 HG22 ILE 18 5.272 7.338 2.686 131 HG23 ILE 18 HG23 ILE 18 4.842 8.280 1.263 132 HD11 ILE 18 HD11 ILE 18 4.153 5.374 3.307 133 HD12 ILE 18 HD12 ILE 18 3.010 5.132 4.621 134 HD13 ILE 18 HD13 ILE 18 4.168 6.450 4.703 135 HA PRO 19 HA PRO 19 6.750 11.799 3.458 136 HB2 PRO 19 HB2 PRO 19 9.063 10.322 3.817 137 HB3 PRO 19 HB3 PRO 19 8.150 11.062 5.145 138 HG2 PRO 19 HG2 PRO 19 8.057 8.251 4.134 139 HG3 PRO 19 HG3 PRO 19 8.136 8.836 5.800 140 HD2 PRO 19 HD2 PRO 19 5.826 8.030 4.768 141 HD3 PRO 19 HD3 PRO 19 5.871 9.443 5.837 142 H LEU 20 H LEU 20 6.576 12.209 1.317 143 HA LEU 20 HA LEU 20 6.589 10.538 -0.822 144 HB2 LEU 20 HB2 LEU 20 7.337 13.401 -0.463 145 HB3 LEU 20 HB3 LEU 20 7.751 12.656 -2.006 146 HG LEU 20 HG LEU 20 5.409 11.934 -2.293 147 HD11 LEU 20 HD11 LEU 20 3.720 12.969 -0.687 148 HD12 LEU 20 HD12 LEU 20 5.082 13.292 0.387 149 HD13 LEU 20 HD13 LEU 20 4.672 11.632 -0.044 150 HD21 LEU 20 HD21 LEU 20 4.502 14.075 -2.834 151 HD22 LEU 20 HD22 LEU 20 6.249 14.241 -3.011 152 HD23 LEU 20 HD23 LEU 20 5.445 14.872 -1.574 153 H GLN 21 H GLN 21 9.466 11.791 0.810 154 HA GLN 21 HA GLN 21 11.432 11.114 -1.009 155 HB2 GLN 21 HB2 GLN 21 12.874 10.712 1.092 156 HB3 GLN 21 HB3 GLN 21 12.136 12.301 0.893 157 HG2 GLN 21 HG2 GLN 21 10.303 11.664 2.381 158 HG3 GLN 21 HG3 GLN 21 10.974 10.040 2.538 159 HE21 GLN 21 HE21 GLN 21 11.385 13.412 3.517 160 HE22 GLN 21 HE22 GLN 21 12.587 13.111 4.678 161 H ARG 22 H ARG 22 9.920 8.974 1.406 162 HA ARG 22 HA ARG 22 11.564 6.722 0.646 163 HB2 ARG 22 HB2 ARG 22 9.209 7.081 2.493 164 HB3 ARG 22 HB3 ARG 22 9.919 5.497 2.184 165 HG2 ARG 22 HG2 ARG 22 11.846 5.969 3.364 166 HG3 ARG 22 HG3 ARG 22 11.865 7.661 2.875 167 HD2 ARG 22 HD2 ARG 22 10.432 8.316 4.591 168 HD3 ARG 22 HD3 ARG 22 9.718 6.714 4.754 169 HE ARG 22 HE ARG 22 12.538 6.894 5.462 170 HH11 ARG 22 HH21 ARG 22 9.231 7.030 6.475 171 HH12 ARG 22 HH22 ARG 22 9.580 6.661 8.131 172 HH21 ARG 22 HH11 ARG 22 13.001 6.409 7.631 173 HH22 ARG 22 HH12 ARG 22 11.715 6.310 8.786 174 H LEU 23 H LEU 23 8.150 7.610 0.223 175 HA LEU 23 HA LEU 23 7.016 5.467 -0.950 176 HB2 LEU 23 HB2 LEU 23 5.636 7.326 -0.769 177 HB3 LEU 23 HB3 LEU 23 6.835 8.400 -1.445 178 HG LEU 23 HG LEU 23 4.807 8.037 -2.871 179 HD11 LEU 23 HD11 LEU 23 6.016 8.550 -4.691 180 HD12 LEU 23 HD12 LEU 23 6.902 7.029 -4.667 181 HD13 LEU 23 HD13 LEU 23 7.434 8.378 -3.666 182 HD21 LEU 23 HD21 LEU 23 5.183 5.330 -2.315 183 HD22 LEU 23 HD22 LEU 23 5.694 5.480 -3.991 184 HD23 LEU 23 HD23 LEU 23 4.095 6.009 -3.513 185 H GLU 24 H GLU 24 7.154 4.290 -2.797 186 HA GLU 24 HA GLU 24 9.275 5.021 -4.737 187 HB2 GLU 24 HB2 GLU 24 9.771 2.936 -3.658 188 HB3 GLU 24 HB3 GLU 24 8.132 2.348 -3.911 189 HG2 GLU 24 HG2 GLU 24 9.845 1.419 -5.525 190 HG3 GLU 24 HG3 GLU 24 8.464 2.198 -6.293 191 H SER 25 H SER 25 6.212 3.163 -4.701 192 HA SER 25 HA SER 25 5.228 4.670 -7.007 193 HB2 SER 25 HB2 SER 25 6.621 2.696 -7.851 194 HB3 SER 25 HB3 SER 25 5.370 1.659 -7.170 195 HG SER 25 HG SER 25 4.532 2.017 -9.093 196 H TYR 26 H TYR 26 3.071 3.093 -7.689 197 HA TYR 26 HA TYR 26 1.630 2.522 -5.183 198 HB2 TYR 26 HB2 TYR 26 -0.243 3.875 -5.743 199 HB3 TYR 26 HB3 TYR 26 1.176 4.902 -5.922 200 HD1 TYR 26 HD2 TYR 26 2.042 5.467 -8.176 201 HD2 TYR 26 HD1 TYR 26 -1.566 3.202 -7.647 202 HE1 TYR 26 HE2 TYR 26 1.426 5.911 -10.533 203 HE2 TYR 26 HE1 TYR 26 -2.185 3.641 -10.009 204 HH TYR 26 HH TYR 26 -1.675 4.768 -11.863 205 H ARG 27 H ARG 27 -0.269 1.222 -5.448 206 HA ARG 27 HA ARG 27 -0.810 0.018 -8.040 207 HB2 ARG 27 HB2 ARG 27 1.175 -1.231 -6.996 208 HB3 ARG 27 HB3 ARG 27 0.029 -1.797 -5.780 209 HG2 ARG 27 HG2 ARG 27 -1.380 -2.365 -8.063 210 HG3 ARG 27 HG3 ARG 27 0.267 -2.556 -8.658 211 HD2 ARG 27 HD2 ARG 27 -0.998 -3.976 -6.301 212 HD3 ARG 27 HD3 ARG 27 -0.501 -4.696 -7.831 213 HE ARG 27 HE ARG 27 1.775 -3.511 -6.765 214 HH11 ARG 27 HH21 ARG 27 -0.538 -5.930 -5.882 215 HH12 ARG 27 HH22 ARG 27 0.584 -6.857 -4.944 216 HH21 ARG 27 HH11 ARG 27 3.253 -4.723 -5.537 217 HH22 ARG 27 HH12 ARG 27 2.730 -6.175 -4.749 218 H ARG 28 H ARG 28 -2.807 -1.076 -8.096 219 HA ARG 28 HA ARG 28 -4.596 -0.398 -5.883 220 HB2 ARG 28 HB2 ARG 28 -4.866 -0.421 -8.671 221 HB3 ARG 28 HB3 ARG 28 -5.817 -1.809 -8.158 222 HG2 ARG 28 HG2 ARG 28 -7.039 -0.352 -6.555 223 HG3 ARG 28 HG3 ARG 28 -6.104 1.032 -7.123 224 HD2 ARG 28 HD2 ARG 28 -6.957 0.549 -9.446 225 HD3 ARG 28 HD3 ARG 28 -8.024 -0.660 -8.742 226 HE ARG 28 HE ARG 28 -9.399 1.071 -8.062 227 HH11 ARG 28 HH21 ARG 28 -6.187 2.225 -8.631 228 HH12 ARG 28 HH22 ARG 28 -6.589 3.888 -8.363 229 HH21 ARG 28 HH11 ARG 28 -9.934 3.249 -7.709 230 HH22 ARG 28 HH12 ARG 28 -8.711 4.468 -7.841 231 H ILE 29 H ILE 29 -6.065 -1.933 -4.958 232 HA ILE 29 HA ILE 29 -4.889 -4.634 -4.745 233 HB ILE 29 HB ILE 29 -7.063 -4.098 -2.841 234 HG12 ILE 29 HG12 ILE 29 -4.726 -2.151 -2.839 235 HG13 ILE 29 HG13 ILE 29 -6.402 -1.745 -3.193 236 HG21 ILE 29 HG21 ILE 29 -5.368 -5.834 -2.529 237 HG22 ILE 29 HG22 ILE 29 -5.264 -4.668 -1.214 238 HG23 ILE 29 HG23 ILE 29 -4.088 -4.622 -2.527 239 HD11 ILE 29 HD11 ILE 29 -7.082 -2.370 -0.942 240 HD12 ILE 29 HD12 ILE 29 -5.764 -1.202 -0.847 241 HD13 ILE 29 HD13 ILE 29 -5.448 -2.912 -0.562 242 H THR 30 H THR 30 -8.182 -3.243 -4.627 243 HA THR 30 HA THR 30 -10.197 -4.155 -5.298 244 HB THR 30 HB THR 30 -10.302 -4.585 -7.676 245 HG1 THR 30 HG1 THR 30 -7.644 -4.391 -8.186 246 HG21 THR 30 HG21 THR 30 -9.410 -2.535 -8.478 247 HG22 THR 30 HG22 THR 30 -8.100 -2.554 -7.297 248 HG23 THR 30 HG23 THR 30 -9.756 -2.246 -6.773 249 H SER 31 H SER 31 -8.509 -5.967 -3.776 250 HA SER 31 HA SER 31 -9.864 -8.435 -4.435 251 HB2 SER 31 HB2 SER 31 -6.862 -8.212 -4.690 252 HB3 SER 31 HB3 SER 31 -7.708 -9.745 -4.510 253 HG SER 31 HG SER 31 -7.248 -8.848 -6.730 254 H GLY 32 H GLY 32 -9.248 -10.177 -2.825 255 HA2 GLY 32 HA2 GLY 32 -8.849 -10.893 -0.662 256 HA3 GLY 32 HA3 GLY 32 -7.953 -9.403 -0.383 257 H LYS 33 H LYS 33 -9.041 -9.491 1.739 258 HA LYS 33 HA LYS 33 -11.893 -9.022 1.845 259 HB2 LYS 33 HB2 LYS 33 -9.760 -8.864 3.988 260 HB3 LYS 33 HB3 LYS 33 -11.496 -8.749 4.276 261 HG2 LYS 33 HG2 LYS 33 -11.684 -11.012 3.077 262 HG3 LYS 33 HG3 LYS 33 -9.932 -11.123 3.252 263 HD2 LYS 33 HD2 LYS 33 -11.957 -10.830 5.490 264 HD3 LYS 33 HD3 LYS 33 -10.976 -12.253 5.136 265 HE2 LYS 33 HE2 LYS 33 -8.937 -10.698 5.448 266 HE3 LYS 33 HE3 LYS 33 -10.072 -9.576 6.199 267 HZ1 LYS 33 HZ1 LYS 33 -10.678 -11.924 7.382 268 HZ2 LYS 33 HZ2 LYS 33 -9.667 -10.730 8.046 269 HZ3 LYS 33 HZ3 LYS 33 -8.996 -12.046 7.206 270 H CYS 34 H CYS 34 -9.638 -7.113 0.672 271 HA CYS 34 HA CYS 34 -9.525 -4.733 2.019 272 HB2 CYS 34 HB2 CYS 34 -9.638 -5.410 -0.898 273 HB3 CYS 34 HB3 CYS 34 -9.657 -3.716 -0.408 274 HA PRO 35 HA PRO 35 -13.717 -3.265 2.159 275 HB2 PRO 35 HB2 PRO 35 -13.374 -0.582 2.381 276 HB3 PRO 35 HB3 PRO 35 -12.895 -1.700 3.677 277 HG2 PRO 35 HG2 PRO 35 -11.199 -0.418 1.569 278 HG3 PRO 35 HG3 PRO 35 -10.888 -0.594 3.307 279 HD2 PRO 35 HD2 PRO 35 -9.796 -2.278 1.441 280 HD3 PRO 35 HD3 PRO 35 -10.184 -2.798 3.097 281 H GLN 36 H GLN 36 -11.702 -1.220 0.031 282 HA GLN 36 HA GLN 36 -13.476 -1.659 -2.221 283 HB2 GLN 36 HB2 GLN 36 -13.900 0.781 -2.551 284 HB3 GLN 36 HB3 GLN 36 -14.693 0.128 -1.117 285 HG2 GLN 36 HG2 GLN 36 -12.847 0.965 0.293 286 HG3 GLN 36 HG3 GLN 36 -12.047 1.615 -1.138 287 HE21 GLN 36 HE21 GLN 36 -13.161 3.097 1.244 288 HE22 GLN 36 HE22 GLN 36 -14.275 4.201 0.594 289 H LYS 37 H LYS 37 -12.643 -0.555 -4.194 290 HA LYS 37 HA LYS 37 -10.008 -1.067 -4.734 291 HB2 LYS 37 HB2 LYS 37 -11.402 1.317 -5.948 292 HB3 LYS 37 HB3 LYS 37 -10.240 0.225 -6.702 293 HG2 LYS 37 HG2 LYS 37 -11.971 -1.634 -6.291 294 HG3 LYS 37 HG3 LYS 37 -13.116 -0.332 -5.965 295 HD2 LYS 37 HD2 LYS 37 -11.549 -0.760 -8.526 296 HD3 LYS 37 HD3 LYS 37 -13.289 -0.955 -8.312 297 HE2 LYS 37 HE2 LYS 37 -13.292 1.514 -7.562 298 HE3 LYS 37 HE3 LYS 37 -11.674 1.595 -8.259 299 HZ1 LYS 37 HZ1 LYS 37 -13.010 0.390 -10.220 300 HZ2 LYS 37 HZ2 LYS 37 -12.812 2.075 -10.118 301 HZ3 LYS 37 HZ3 LYS 37 -14.249 1.351 -9.572 302 H ALA 38 H ALA 38 -8.092 -0.201 -4.171 303 HA ALA 38 HA ALA 38 -7.866 2.613 -3.481 304 HB1 ALA 38 HB1 ALA 38 -8.474 1.996 -1.315 305 HB2 ALA 38 HB2 ALA 38 -6.721 1.839 -1.240 306 HB3 ALA 38 HB3 ALA 38 -7.724 0.407 -1.454 307 H VAL 39 H VAL 39 -5.790 3.401 -3.688 308 HA VAL 39 HA VAL 39 -3.903 1.667 -5.042 309 HB VAL 39 HB VAL 39 -2.586 3.653 -5.382 310 HG11 VAL 39 HG11 VAL 39 -4.828 3.317 -6.610 311 HG12 VAL 39 HG12 VAL 39 -4.127 4.933 -6.651 312 HG13 VAL 39 HG13 VAL 39 -5.459 4.578 -5.551 313 HG21 VAL 39 HG21 VAL 39 -3.399 5.828 -4.332 314 HG22 VAL 39 HG22 VAL 39 -2.648 4.685 -3.219 315 HG23 VAL 39 HG23 VAL 39 -4.405 4.841 -3.272 316 H ILE 40 H ILE 40 -1.782 1.209 -4.296 317 HA ILE 40 HA ILE 40 -1.442 1.391 -1.353 318 HB ILE 40 HB ILE 40 -0.982 -0.874 -3.288 319 HG12 ILE 40 HG12 ILE 40 -2.159 -0.837 -0.499 320 HG13 ILE 40 HG13 ILE 40 -3.121 -0.584 -1.956 321 HG21 ILE 40 HG21 ILE 40 1.129 -0.822 -2.178 322 HG22 ILE 40 HG22 ILE 40 0.177 -2.037 -1.334 323 HG23 ILE 40 HG23 ILE 40 0.388 -0.441 -0.628 324 HD11 ILE 40 HD11 ILE 40 -3.150 -2.957 -1.190 325 HD12 ILE 40 HD12 ILE 40 -1.404 -3.027 -1.429 326 HD13 ILE 40 HD13 ILE 40 -2.473 -2.778 -2.809 327 H PHE 41 H PHE 41 0.022 2.972 -1.058 328 HA PHE 41 HA PHE 41 2.214 3.395 -2.894 329 HB2 PHE 41 HB2 PHE 41 1.735 4.592 -0.153 330 HB3 PHE 41 HB3 PHE 41 2.894 5.159 -1.352 331 HD1 PHE 41 HD2 PHE 41 1.844 5.591 -3.782 332 HD2 PHE 41 HD1 PHE 41 -0.355 5.627 -0.095 333 HE1 PHE 41 HE2 PHE 41 0.097 6.994 -4.839 334 HE2 PHE 41 HE1 PHE 41 -2.089 7.029 -1.146 335 HZ PHE 41 HZ PHE 41 -1.871 7.716 -3.523 336 H LYS 42 H LYS 42 4.007 2.211 -2.885 337 HA LYS 42 HA LYS 42 4.766 0.736 -0.436 338 HB2 LYS 42 HB2 LYS 42 6.311 -0.462 -2.105 339 HB3 LYS 42 HB3 LYS 42 4.579 -0.755 -2.261 340 HG2 LYS 42 HG2 LYS 42 4.388 0.722 -4.119 341 HG3 LYS 42 HG3 LYS 42 5.986 1.412 -3.828 342 HD2 LYS 42 HD2 LYS 42 5.968 -0.213 -5.726 343 HD3 LYS 42 HD3 LYS 42 7.052 -0.699 -4.422 344 HE2 LYS 42 HE2 LYS 42 5.465 -2.499 -5.404 345 HE3 LYS 42 HE3 LYS 42 5.569 -2.365 -3.648 346 HZ1 LYS 42 HZ1 LYS 42 3.273 -2.349 -4.969 347 HZ2 LYS 42 HZ2 LYS 42 3.592 -0.679 -4.954 348 HZ3 LYS 42 HZ3 LYS 42 3.494 -1.542 -3.493 349 H THR 43 H THR 43 6.695 1.051 0.549 350 HA THR 43 HA THR 43 8.633 2.926 -0.661 351 HB THR 43 HB THR 43 8.142 4.527 0.872 352 HG1 THR 43 HG1 THR 43 8.655 2.577 2.856 353 HG21 THR 43 HG21 THR 43 6.345 2.437 2.129 354 HG22 THR 43 HG22 THR 43 5.866 3.741 1.041 355 HG23 THR 43 HG23 THR 43 6.429 4.113 2.671 356 H LYS 44 H LYS 44 10.617 2.976 1.011 357 HA LYS 44 HA LYS 44 11.610 0.264 1.000 358 HB2 LYS 44 HB2 LYS 44 13.721 1.250 1.678 359 HB3 LYS 44 HB3 LYS 44 13.022 2.215 0.378 360 HG2 LYS 44 HG2 LYS 44 11.993 3.674 2.218 361 HG3 LYS 44 HG3 LYS 44 13.073 2.840 3.335 362 HD2 LYS 44 HD2 LYS 44 13.980 4.310 0.841 363 HD3 LYS 44 HD3 LYS 44 14.044 4.975 2.473 364 HE2 LYS 44 HE2 LYS 44 15.405 2.874 3.088 365 HE3 LYS 44 HE3 LYS 44 15.584 2.633 1.350 366 HZ1 LYS 44 HZ1 LYS 44 17.210 4.112 1.371 367 HZ2 LYS 44 HZ2 LYS 44 16.985 4.397 3.031 368 HZ3 LYS 44 HZ3 LYS 44 16.124 5.310 1.885 369 H LEU 45 H LEU 45 9.555 1.650 3.061 370 HA LEU 45 HA LEU 45 10.647 1.428 5.609 371 HB2 LEU 45 HB2 LEU 45 7.919 1.393 4.454 372 HB3 LEU 45 HB3 LEU 45 8.040 0.581 6.008 373 HG LEU 45 HG LEU 45 7.440 2.919 6.330 374 HD11 LEU 45 HD11 LEU 45 10.280 3.032 7.227 375 HD12 LEU 45 HD12 LEU 45 9.351 1.627 7.752 376 HD13 LEU 45 HD13 LEU 45 8.788 3.250 8.139 377 HD21 LEU 45 HD21 LEU 45 9.824 3.411 4.559 378 HD22 LEU 45 HD22 LEU 45 9.357 4.627 5.744 379 HD23 LEU 45 HD23 LEU 45 8.215 4.129 4.500 380 H ALA 46 H ALA 46 8.206 -0.983 4.915 381 HA ALA 46 HA ALA 46 9.841 -3.256 4.678 382 HB1 ALA 46 HB1 ALA 46 9.157 -2.439 7.498 383 HB2 ALA 46 HB2 ALA 46 10.718 -2.936 6.846 384 HB3 ALA 46 HB3 ALA 46 9.440 -4.128 7.073 385 H LYS 47 H LYS 47 6.969 -1.736 4.631 386 HA LYS 47 HA LYS 47 5.522 -4.208 4.170 387 HB2 LYS 47 HB2 LYS 47 3.900 -4.031 5.839 388 HB3 LYS 47 HB3 LYS 47 5.371 -3.593 6.694 389 HG2 LYS 47 HG2 LYS 47 3.292 -1.669 5.589 390 HG3 LYS 47 HG3 LYS 47 3.580 -2.037 7.280 391 HD2 LYS 47 HD2 LYS 47 5.587 -0.736 5.411 392 HD3 LYS 47 HD3 LYS 47 4.635 0.101 6.630 393 HE2 LYS 47 HE2 LYS 47 6.891 -1.854 7.028 394 HE3 LYS 47 HE3 LYS 47 6.671 -0.259 7.737 395 HZ1 LYS 47 HZ1 LYS 47 5.342 -2.794 8.443 396 HZ2 LYS 47 HZ2 LYS 47 4.612 -1.305 8.815 397 HZ3 LYS 47 HZ3 LYS 47 6.140 -1.689 9.453 398 H ASP 48 H ASP 48 3.193 -3.695 3.511 399 HA ASP 48 HA ASP 48 3.311 -1.553 1.523 400 HB2 ASP 48 HB2 ASP 48 1.021 -3.468 1.955 401 HB3 ASP 48 HB3 ASP 48 1.492 -2.630 0.479 402 H ILE 49 H ILE 49 1.743 0.074 1.327 403 HA ILE 49 HA ILE 49 0.297 0.740 3.837 404 HB ILE 49 HB ILE 49 1.200 2.624 1.652 405 HG12 ILE 49 HG12 ILE 49 3.183 1.607 2.622 406 HG13 ILE 49 HG13 ILE 49 3.023 3.240 3.259 407 HG21 ILE 49 HG21 ILE 49 0.885 4.303 3.488 408 HG22 ILE 49 HG22 ILE 49 0.204 3.017 4.485 409 HG23 ILE 49 HG23 ILE 49 -0.609 3.504 2.997 410 HD11 ILE 49 HD11 ILE 49 3.496 1.967 5.179 411 HD12 ILE 49 HD12 ILE 49 2.493 0.619 4.648 412 HD13 ILE 49 HD13 ILE 49 1.740 2.101 5.228 413 H CYS 50 H CYS 50 -1.866 1.316 3.719 414 HA CYS 50 HA CYS 50 -3.212 0.771 1.137 415 HB2 CYS 50 HB2 CYS 50 -4.411 1.019 3.909 416 HB3 CYS 50 HB3 CYS 50 -5.224 0.447 2.450 417 H ALA 51 H ALA 51 -4.824 2.240 0.343 418 HA ALA 51 HA ALA 51 -5.438 4.712 1.589 419 HB1 ALA 51 HB1 ALA 51 -3.417 5.724 1.235 420 HB2 ALA 51 HB2 ALA 51 -3.999 5.915 -0.418 421 HB3 ALA 51 HB3 ALA 51 -2.952 4.563 -0.003 422 H ASP 52 H ASP 52 -7.306 5.355 0.720 423 HA ASP 52 HA ASP 52 -8.128 4.310 -1.889 424 HB2 ASP 52 HB2 ASP 52 -9.708 4.050 -0.071 425 HB3 ASP 52 HB3 ASP 52 -9.633 5.772 0.291 426 HA PRO 53 HA PRO 53 -7.208 8.233 -3.854 427 HB2 PRO 53 HB2 PRO 53 -8.900 8.107 -6.027 428 HB3 PRO 53 HB3 PRO 53 -7.381 7.197 -5.911 429 HG2 PRO 53 HG2 PRO 53 -10.174 6.282 -5.354 430 HG3 PRO 53 HG3 PRO 53 -8.874 5.460 -6.243 431 HD2 PRO 53 HD2 PRO 53 -9.456 4.807 -3.694 432 HD3 PRO 53 HD3 PRO 53 -7.784 4.784 -4.294 433 H LYS 54 H LYS 54 -8.393 9.027 -1.788 434 HA LYS 54 HA LYS 54 -10.515 10.865 -2.657 435 HB2 LYS 54 HB2 LYS 54 -10.738 8.878 -0.393 436 HB3 LYS 54 HB3 LYS 54 -11.686 10.364 -0.413 437 HG2 LYS 54 HG2 LYS 54 -12.775 9.756 -2.458 438 HG3 LYS 54 HG3 LYS 54 -11.658 8.423 -2.734 439 HD2 LYS 54 HD2 LYS 54 -12.528 7.415 -0.551 440 HD3 LYS 54 HD3 LYS 54 -13.811 8.625 -0.622 441 HE2 LYS 54 HE2 LYS 54 -13.193 6.668 -2.857 442 HE3 LYS 54 HE3 LYS 54 -14.457 6.427 -1.650 443 HZ1 LYS 54 HZ1 LYS 54 -15.367 8.623 -2.356 444 HZ2 LYS 54 HZ2 LYS 54 -15.458 7.409 -3.539 445 HZ3 LYS 54 HZ3 LYS 54 -14.264 8.613 -3.644 446 H LYS 55 H LYS 55 -8.565 9.803 0.122 447 HA LYS 55 HA LYS 55 -8.478 12.304 1.421 448 HB2 LYS 55 HB2 LYS 55 -6.040 10.838 1.950 449 HB3 LYS 55 HB3 LYS 55 -7.440 11.037 2.998 450 HG2 LYS 55 HG2 LYS 55 -8.568 9.164 1.848 451 HG3 LYS 55 HG3 LYS 55 -7.165 8.954 0.816 452 HD2 LYS 55 HD2 LYS 55 -6.671 7.373 2.442 453 HD3 LYS 55 HD3 LYS 55 -5.880 8.777 3.148 454 HE2 LYS 55 HE2 LYS 55 -7.308 7.495 4.769 455 HE3 LYS 55 HE3 LYS 55 -7.782 9.184 4.604 456 HZ1 LYS 55 HZ1 LYS 55 -9.065 7.378 2.752 457 HZ2 LYS 55 HZ2 LYS 55 -9.731 8.627 3.691 458 HZ3 LYS 55 HZ3 LYS 55 -9.453 7.099 4.379 459 H LYS 56 H LYS 56 -6.861 13.920 1.425 460 HA LYS 56 HA LYS 56 -5.977 14.728 -1.083 461 HB2 LYS 56 HB2 LYS 56 -6.296 16.128 1.022 462 HB3 LYS 56 HB3 LYS 56 -4.677 15.608 1.489 463 HG2 LYS 56 HG2 LYS 56 -3.954 16.415 -0.868 464 HG3 LYS 56 HG3 LYS 56 -5.501 17.262 -0.900 465 HD2 LYS 56 HD2 LYS 56 -4.823 18.245 1.376 466 HD3 LYS 56 HD3 LYS 56 -3.201 17.650 1.020 467 HE2 LYS 56 HE2 LYS 56 -3.160 18.953 -1.062 468 HE3 LYS 56 HE3 LYS 56 -4.799 19.524 -0.750 469 HZ1 LYS 56 HZ1 LYS 56 -3.765 21.212 0.258 470 HZ2 LYS 56 HZ2 LYS 56 -2.297 20.371 0.413 471 HZ3 LYS 56 HZ3 LYS 56 -3.541 20.130 1.544 472 H TRP 57 H TRP 57 -3.837 13.523 1.560 473 HA TRP 57 HA TRP 57 -1.493 13.639 0.067 474 HB2 TRP 57 HB2 TRP 57 -0.462 12.297 1.709 475 HB3 TRP 57 HB3 TRP 57 -1.706 13.203 2.558 476 HD1 TRP 57 HD1 TRP 57 -3.906 11.879 3.299 477 HE1 TRP 57 HE1 TRP 57 -4.298 9.376 3.771 478 HE3 TRP 57 HE3 TRP 57 0.209 9.877 1.000 479 HZ2 TRP 57 HZ2 TRP 57 -3.041 6.867 3.248 480 HZ3 TRP 57 HZ3 TRP 57 0.581 7.431 1.006 481 HH2 TRP 57 HH2 TRP 57 -1.039 5.923 2.128 482 H VAL 58 H VAL 58 -4.085 11.377 -0.223 483 HA VAL 58 HA VAL 58 -2.522 9.297 -1.443 484 HB VAL 58 HB VAL 58 -5.500 9.837 -1.448 485 HG11 VAL 58 HG11 VAL 58 -4.958 8.512 -3.416 486 HG12 VAL 58 HG12 VAL 58 -5.659 7.447 -2.204 487 HG13 VAL 58 HG13 VAL 58 -3.923 7.456 -2.464 488 HG21 VAL 58 HG21 VAL 58 -5.355 7.735 0.068 489 HG22 VAL 58 HG22 VAL 58 -4.846 9.275 0.752 490 HG23 VAL 58 HG23 VAL 58 -3.642 8.120 0.205 491 H GLN 59 H GLN 59 -4.838 11.690 -2.756 492 HA GLN 59 HA GLN 59 -4.278 11.055 -5.461 493 HB2 GLN 59 HB2 GLN 59 -5.211 13.803 -4.692 494 HB3 GLN 59 HB3 GLN 59 -5.735 12.770 -6.022 495 HG2 GLN 59 HG2 GLN 59 -6.581 11.207 -4.034 496 HG3 GLN 59 HG3 GLN 59 -6.561 12.718 -3.135 497 HE21 GLN 59 HE21 GLN 59 -8.158 14.322 -3.651 498 HE22 GLN 59 HE22 GLN 59 -9.416 14.029 -4.752 499 H ASP 60 H ASP 60 -2.838 13.295 -3.178 500 HA ASP 60 HA ASP 60 -1.302 14.751 -5.101 501 HB2 ASP 60 HB2 ASP 60 -1.950 15.478 -2.728 502 HB3 ASP 60 HB3 ASP 60 -0.627 14.452 -2.177 503 H SER 61 H SER 61 -0.784 11.806 -3.266 504 HA SER 61 HA SER 61 2.040 11.681 -3.607 505 HB2 SER 61 HB2 SER 61 1.322 10.275 -1.912 506 HB3 SER 61 HB3 SER 61 -0.102 9.751 -2.808 507 HG SER 61 HG SER 61 2.164 8.494 -2.603 508 H MET 62 H MET 62 -0.619 10.020 -5.363 509 HA MET 62 HA MET 62 1.129 8.781 -7.233 510 HB2 MET 62 HB2 MET 62 -1.035 8.558 -8.612 511 HB3 MET 62 HB3 MET 62 -0.987 7.768 -7.038 512 HG2 MET 62 HG2 MET 62 -2.392 9.355 -6.054 513 HG3 MET 62 HG3 MET 62 -2.032 10.583 -7.263 514 HE1 MET 62 HE1 MET 62 -3.301 7.117 -6.631 515 HE2 MET 62 HE2 MET 62 -4.829 6.997 -7.498 516 HE3 MET 62 HE3 MET 62 -4.695 8.074 -6.111 517 H LYS 63 H LYS 63 -0.644 11.839 -7.233 518 HA LYS 63 HA LYS 63 -0.231 12.553 -9.918 519 HB2 LYS 63 HB2 LYS 63 -1.774 13.811 -8.537 520 HB3 LYS 63 HB3 LYS 63 -0.481 14.266 -7.431 521 HG2 LYS 63 HG2 LYS 63 -1.106 16.084 -9.044 522 HG3 LYS 63 HG3 LYS 63 0.589 15.618 -9.144 523 HD2 LYS 63 HD2 LYS 63 0.276 14.446 -11.170 524 HD3 LYS 63 HD3 LYS 63 -1.468 14.326 -10.938 525 HE2 LYS 63 HE2 LYS 63 0.015 16.932 -11.394 526 HE3 LYS 63 HE3 LYS 63 -0.805 16.021 -12.663 527 HZ1 LYS 63 HZ1 LYS 63 -2.418 17.497 -11.998 528 HZ2 LYS 63 HZ2 LYS 63 -1.956 17.450 -10.363 529 HZ3 LYS 63 HZ3 LYS 63 -2.798 16.144 -11.048 530 H TYR 64 H TYR 64 1.736 13.054 -7.023 531 HA TYR 64 HA TYR 64 3.793 14.565 -8.235 532 HB2 TYR 64 HB2 TYR 64 4.103 14.719 -5.974 533 HB3 TYR 64 HB3 TYR 64 3.300 13.183 -5.681 534 HD1 TYR 64 HD1 TYR 64 6.431 14.224 -7.493 535 HD2 TYR 64 HD2 TYR 64 4.662 11.701 -4.497 536 HE1 TYR 64 HE1 TYR 64 8.635 13.165 -7.079 537 HE2 TYR 64 HE2 TYR 64 6.865 10.650 -4.079 538 HH TYR 64 HH TYR 64 9.125 10.919 -4.421 539 H LEU 65 H LEU 65 3.169 11.118 -7.990 540 HA LEU 65 HA LEU 65 5.725 10.301 -9.010 541 HB2 LEU 65 HB2 LEU 65 3.094 8.927 -8.502 542 HB3 LEU 65 HB3 LEU 65 4.369 8.095 -9.389 543 HG LEU 65 HG LEU 65 5.069 9.437 -6.784 544 HD11 LEU 65 HD11 LEU 65 3.243 8.232 -5.952 545 HD12 LEU 65 HD12 LEU 65 4.570 7.089 -5.745 546 HD13 LEU 65 HD13 LEU 65 3.463 6.915 -7.100 547 HD21 LEU 65 HD21 LEU 65 6.646 8.204 -8.523 548 HD22 LEU 65 HD22 LEU 65 6.034 6.748 -7.741 549 HD23 LEU 65 HD23 LEU 65 6.884 7.968 -6.794 550 H ASP 66 H ASP 66 2.822 11.481 -10.378 551 HA ASP 66 HA ASP 66 3.045 10.257 -12.953 552 HB2 ASP 66 HB2 ASP 66 0.991 11.360 -11.831 553 HB3 ASP 66 HB3 ASP 66 1.666 12.880 -12.408 554 H GLN 67 H GLN 67 4.280 13.195 -11.479 555 HA GLN 67 HA GLN 67 5.085 14.530 -13.835 556 HB2 GLN 67 HB2 GLN 67 6.297 14.667 -11.064 557 HB3 GLN 67 HB3 GLN 67 6.529 15.845 -12.357 558 HG2 GLN 67 HG2 GLN 67 3.809 15.105 -11.251 559 HG3 GLN 67 HG3 GLN 67 4.756 16.471 -10.664 560 HE21 GLN 67 HE21 GLN 67 2.451 15.552 -12.997 561 HE22 GLN 67 HE22 GLN 67 2.600 16.898 -14.020 562 H LYS 68 H LYS 68 6.986 12.527 -11.565 563 HA LYS 68 HA LYS 68 9.285 12.517 -13.290 564 HB2 LYS 68 HB2 LYS 68 10.190 10.873 -11.666 565 HB3 LYS 68 HB3 LYS 68 9.586 12.334 -10.884 566 HG2 LYS 68 HG2 LYS 68 7.364 11.049 -10.606 567 HG3 LYS 68 HG3 LYS 68 8.295 9.605 -11.001 568 HD2 LYS 68 HD2 LYS 68 8.978 11.539 -8.764 569 HD3 LYS 68 HD3 LYS 68 8.141 10.004 -8.541 570 HE2 LYS 68 HE2 LYS 68 10.394 9.468 -8.095 571 HE3 LYS 68 HE3 LYS 68 10.177 8.954 -9.768 572 HZ1 LYS 68 HZ1 LYS 68 11.982 10.830 -8.761 573 HZ2 LYS 68 HZ2 LYS 68 10.879 11.669 -9.744 574 HZ3 LYS 68 HZ3 LYS 68 11.757 10.357 -10.374 575 H SER 69 H SER 69 6.576 10.350 -12.680 576 HA SER 69 HA SER 69 5.847 8.476 -13.794 577 HB2 SER 69 HB2 SER 69 7.708 9.263 -16.027 578 HB3 SER 69 HB3 SER 69 6.185 8.384 -16.133 579 HG SER 69 HG SER 69 5.103 10.253 -15.563 580 HA PRO 70 HA PRO 70 9.696 6.132 -12.815 581 HB2 PRO 70 HB2 PRO 70 8.712 4.520 -10.881 582 HB3 PRO 70 HB3 PRO 70 9.157 6.208 -10.552 583 HG2 PRO 70 HG2 PRO 70 6.456 5.013 -10.978 584 HG3 PRO 70 HG3 PRO 70 6.964 6.273 -9.840 585 HD2 PRO 70 HD2 PRO 70 5.705 6.762 -12.283 586 HD3 PRO 70 HD3 PRO 70 6.673 7.957 -11.394 587 H THR 71 H THR 71 7.307 5.644 -14.745 588 HA THR 71 HA THR 71 6.437 3.931 -16.028 589 HB THR 71 HB THR 71 8.100 2.612 -17.078 590 HG1 THR 71 HG1 THR 71 10.252 2.655 -15.840 591 HG21 THR 71 HG21 THR 71 9.879 4.201 -17.523 592 HG22 THR 71 HG22 THR 71 9.548 5.049 -16.012 593 HG23 THR 71 HG23 THR 71 8.369 5.091 -17.322 594 HA PRO 72 HA PRO 72 6.021 1.011 -12.383 595 HB2 PRO 72 HB2 PRO 72 3.478 1.623 -11.636 596 HB3 PRO 72 HB3 PRO 72 4.881 2.551 -11.065 597 HG2 PRO 72 HG2 PRO 72 2.954 3.199 -13.257 598 HG3 PRO 72 HG3 PRO 72 3.638 4.261 -12.010 599 HD2 PRO 72 HD2 PRO 72 4.599 4.155 -14.591 600 HD3 PRO 72 HD3 PRO 72 5.605 4.603 -13.195 601 H LYS 73 H LYS 73 3.707 1.912 -14.912 602 HA LYS 73 HA LYS 73 3.177 -0.959 -15.428 603 HB2 LYS 73 HB2 LYS 73 1.105 1.245 -15.562 604 HB3 LYS 73 HB3 LYS 73 0.838 -0.472 -15.847 605 HG2 LYS 73 HG2 LYS 73 1.878 0.617 -13.216 606 HG3 LYS 73 HG3 LYS 73 0.163 0.374 -13.539 607 HD2 LYS 73 HD2 LYS 73 0.790 -2.049 -14.154 608 HD3 LYS 73 HD3 LYS 73 2.346 -1.714 -13.394 609 HE2 LYS 73 HE2 LYS 73 -0.347 -1.370 -12.045 610 HE3 LYS 73 HE3 LYS 73 0.731 -2.746 -11.810 611 HZ1 LYS 73 HZ1 LYS 73 2.231 -0.424 -11.466 612 HZ2 LYS 73 HZ2 LYS 73 1.811 -1.579 -10.293 613 HZ3 LYS 73 HZ3 LYS 73 0.810 -0.233 -10.561 614 HA PRO 74 HA PRO 74 4.921 1.344 -19.134 615 HB2 PRO 74 HB2 PRO 74 5.611 -1.547 -19.595 616 HB3 PRO 74 HB3 PRO 74 6.583 -0.094 -19.912 617 HG2 PRO 74 HG2 PRO 74 7.076 -1.615 -17.794 618 HG3 PRO 74 HG3 PRO 74 7.177 0.154 -17.686 619 HD2 PRO 74 HD2 PRO 74 5.059 -1.678 -16.623 620 HD3 PRO 74 HD3 PRO 74 5.637 -0.127 -15.974 621 H1 VAL 208 H1 VAL 208 -14.984 4.119 14.972 622 H2 VAL 208 H2 VAL 208 -15.321 3.208 16.365 623 H3 VAL 208 H3 VAL 208 -16.013 2.776 14.874 624 HA VAL 208 HA VAL 208 -13.434 2.131 15.959 625 HB VAL 208 HB VAL 208 -14.991 1.090 13.573 626 HG11 VAL 208 HG11 VAL 208 -12.689 0.362 13.499 627 HG12 VAL 208 HG12 VAL 208 -13.653 -0.990 14.092 628 HG13 VAL 208 HG13 VAL 208 -12.703 -0.022 15.219 629 HG21 VAL 208 HG21 VAL 208 -14.991 0.275 16.496 630 HG22 VAL 208 HG22 VAL 208 -15.723 -0.676 15.203 631 HG23 VAL 208 HG23 VAL 208 -16.352 0.927 15.583 632 H GLU 209 H GLU 209 -14.625 4.106 13.395 633 HA GLU 209 HA GLU 209 -12.501 3.891 11.548 634 HB2 GLU 209 HB2 GLU 209 -14.330 6.226 12.153 635 HB3 GLU 209 HB3 GLU 209 -13.273 6.111 10.745 636 HG2 GLU 209 HG2 GLU 209 -15.445 5.367 10.040 637 HG3 GLU 209 HG3 GLU 209 -14.435 3.929 10.182 638 H THR 210 H THR 210 -10.696 5.246 11.199 639 HA THR 210 HA THR 210 -9.928 7.270 13.078 640 HB THR 210 HB THR 210 -8.334 4.700 13.152 641 HG1 THR 210 HG1 THR 210 -9.212 4.815 15.402 642 HG21 THR 210 HG21 THR 210 -7.229 5.827 15.062 643 HG22 THR 210 HG22 THR 210 -8.214 7.261 14.770 644 HG23 THR 210 HG23 THR 210 -7.035 6.740 13.566 645 H PHE 211 H PHE 211 -8.518 8.622 12.130 646 HA PHE 211 HA PHE 211 -6.536 7.747 10.244 647 HB2 PHE 211 HB2 PHE 211 -8.425 7.672 8.727 648 HB3 PHE 211 HB3 PHE 211 -8.944 9.280 9.231 649 HD1 PHE 211 HD2 PHE 211 -7.445 11.264 8.772 650 HD2 PHE 211 HD1 PHE 211 -6.736 7.381 7.057 651 HE1 PHE 211 HE2 PHE 211 -5.949 12.287 7.083 652 HE2 PHE 211 HE1 PHE 211 -5.233 8.415 5.371 653 HZ PHE 211 HZ PHE 211 -4.842 10.862 5.383 654 H GLY 212 H GLY 212 -4.995 9.324 9.838 655 HA2 GLY 212 HA2 GLY 212 -3.747 11.212 10.241 656 HA3 GLY 212 HA3 GLY 212 -5.276 12.085 10.263 657 H THR 213 H THR 213 -2.893 12.461 11.932 658 HA THR 213 HA THR 213 -4.161 12.877 14.428 659 HB THR 213 HB THR 213 -3.953 10.463 14.698 660 HG1 THR 213 HG1 THR 213 -3.553 11.135 16.640 661 HG21 THR 213 HG21 THR 213 -0.961 10.752 14.457 662 HG22 THR 213 HG22 THR 213 -1.958 10.366 13.055 663 HG23 THR 213 HG23 THR 213 -1.926 9.278 14.442 664 H THR 214 H THR 214 -1.005 12.171 12.939 665 HA THR 214 HA THR 214 -0.017 14.800 13.457 666 HB THR 214 HB THR 214 1.441 12.666 15.012 667 HG1 THR 214 HG1 THR 214 -0.009 12.741 16.503 668 HG21 THR 214 HG21 THR 214 2.485 14.487 16.083 669 HG22 THR 214 HG22 THR 214 1.215 15.613 15.605 670 HG23 THR 214 HG23 THR 214 2.365 15.020 14.407 671 H SER 215 H SER 215 2.728 13.302 13.835 672 HA SER 215 HA SER 215 3.356 13.267 11.011 673 HB2 SER 215 HB2 SER 215 5.649 12.602 11.889 674 HB3 SER 215 HB3 SER 215 5.044 14.166 12.426 675 HG SER 215 HG SER 215 5.514 11.845 13.839 676 H TYS 216 H TYS 216 4.509 11.421 10.011 677 HA TYS 216 HA TYS 216 3.335 8.845 10.894 678 HB2 TYS 216 HB2 TYS 216 2.821 9.965 8.563 679 HB3 TYS 216 HB1 TYS 216 4.395 9.310 8.115 680 HD1 TYS 216 HD1 TYS 216 4.391 7.170 7.170 681 HD2 TYS 216 HD2 TYS 216 1.307 8.207 9.969 682 HE1 TYS 216 HE1 TYS 216 3.370 4.927 6.887 683 HE2 TYS 216 HE2 TYS 216 0.282 5.976 9.675 684 H TYS 217 H TYS 217 6.304 10.474 9.945 685 HA TYS 217 HA TYS 217 7.857 8.341 11.170 686 HB2 TYS 217 HB2 TYS 217 8.064 8.997 8.229 687 HB3 TYS 217 HB1 TYS 217 9.395 8.264 9.116 688 HD1 TYS 217 HD1 TYS 217 6.701 7.506 7.056 689 HD2 TYS 217 HD2 TYS 217 8.533 6.200 10.722 690 HE1 TYS 217 HE1 TYS 217 5.681 5.267 6.768 691 HE2 TYS 217 HE2 TYS 217 7.497 3.969 10.436 692 H ASP 218 H ASP 218 8.202 10.155 12.630 693 HA ASP 218 HA ASP 218 9.809 12.389 11.615 694 HB2 ASP 218 HB2 ASP 218 8.552 11.750 14.284 695 HB3 ASP 218 HB3 ASP 218 9.702 13.072 14.090 696 H ASP 219 H ASP 219 10.143 9.422 13.428 697 HA ASP 219 HA ASP 219 12.731 9.998 14.510 698 HB2 ASP 219 HB2 ASP 219 11.173 7.441 14.130 699 HB3 ASP 219 HB3 ASP 219 12.780 7.478 14.852 700 H VAL 220 H VAL 220 11.537 8.644 11.519 701 HA VAL 220 HA VAL 220 12.589 8.062 9.564 702 HB VAL 220 HB VAL 220 15.060 9.410 10.653 703 HG11 VAL 220 HG11 VAL 220 15.355 9.979 8.253 704 HG12 VAL 220 HG12 VAL 220 13.884 9.082 7.876 705 HG13 VAL 220 HG13 VAL 220 15.294 8.236 8.513 706 HG21 VAL 220 HG21 VAL 220 14.037 11.477 9.527 707 HG22 VAL 220 HG22 VAL 220 13.330 11.002 11.070 708 HG23 VAL 220 HG23 VAL 220 12.503 10.606 9.563 709 H GLY 221 H GLY 221 15.321 7.967 11.858 710 HA2 GLY 221 HA2 GLY 221 16.556 5.690 10.920 711 HA3 GLY 221 HA3 GLY 221 16.612 6.204 12.603 712 H LEU 222 H LEU 222 13.482 5.912 12.309 713 HA LEU 222 HA LEU 222 13.043 3.702 13.835 714 HB2 LEU 222 HB2 LEU 222 11.353 5.423 12.945 715 HB3 LEU 222 HB3 LEU 222 11.219 4.381 11.530 716 HG LEU 222 HG LEU 222 10.843 2.472 13.337 717 HD11 LEU 222 HD11 LEU 222 9.570 3.365 15.297 718 HD12 LEU 222 HD12 LEU 222 10.039 4.996 14.824 719 HD13 LEU 222 HD13 LEU 222 11.268 3.834 15.320 720 HD21 LEU 222 HD21 LEU 222 8.349 3.121 13.340 721 HD22 LEU 222 HD22 LEU 222 9.123 2.943 11.767 722 HD23 LEU 222 HD23 LEU 222 8.841 4.552 12.433 723 H LEU 223 H LEU 223 13.511 3.785 10.339 724 HA LEU 223 HA LEU 223 12.778 1.269 9.551 725 HB2 LEU 223 HB2 LEU 223 13.803 3.103 8.126 726 HB3 LEU 223 HB3 LEU 223 15.375 2.566 8.711 727 HG LEU 223 HG LEU 223 14.561 0.184 7.914 728 HD11 LEU 223 HD11 LEU 223 12.797 2.063 6.310 729 HD12 LEU 223 HD12 LEU 223 12.266 0.749 7.360 730 HD13 LEU 223 HD13 LEU 223 13.121 0.389 5.863 731 HD21 LEU 223 HD21 LEU 223 15.324 2.359 5.937 732 HD22 LEU 223 HD22 LEU 223 15.513 0.625 5.678 733 HD23 LEU 223 HD23 LEU 223 16.451 1.437 6.931 Start of MODEL 10 1 H1 GLY 1 H1 GLY 1 -3.490 -22.075 -4.344 2 H2 GLY 1 H2 GLY 1 -3.419 -21.680 -2.693 3 H3 GLY 1 H3 GLY 1 -2.537 -20.771 -3.826 4 HA2 GLY 1 HA2 GLY 1 -5.142 -20.666 -4.707 5 HA3 GLY 1 HA3 GLY 1 -5.218 -20.439 -2.959 6 HA PRO 2 HA PRO 2 -2.089 -17.112 -4.930 7 HB2 PRO 2 HB2 PRO 2 -3.692 -16.910 -7.464 8 HB3 PRO 2 HB3 PRO 2 -1.949 -16.677 -7.214 9 HG2 PRO 2 HG2 PRO 2 -2.870 -18.915 -8.302 10 HG3 PRO 2 HG3 PRO 2 -1.519 -18.952 -7.153 11 HD2 PRO 2 HD2 PRO 2 -4.375 -19.755 -6.727 12 HD3 PRO 2 HD3 PRO 2 -2.895 -20.426 -6.003 13 H ALA 3 H ALA 3 -2.915 -15.727 -3.406 14 HA ALA 3 HA ALA 3 -4.897 -13.817 -4.252 15 HB1 ALA 3 HB1 ALA 3 -5.535 -15.721 -1.988 16 HB2 ALA 3 HB2 ALA 3 -6.423 -15.543 -3.501 17 HB3 ALA 3 HB3 ALA 3 -6.424 -14.235 -2.319 18 H SER 4 H SER 4 -2.395 -13.198 -3.741 19 HA SER 4 HA SER 4 -1.024 -11.849 -2.487 20 HB2 SER 4 HB2 SER 4 -3.214 -10.528 -2.424 21 HB3 SER 4 HB3 SER 4 -3.451 -11.202 -0.814 22 HG SER 4 HG SER 4 -0.938 -10.284 -1.092 23 H VAL 5 H VAL 5 -1.476 -11.229 0.363 24 HA VAL 5 HA VAL 5 -0.059 -13.427 1.477 25 HB VAL 5 HB VAL 5 -1.443 -11.177 2.946 26 HG11 VAL 5 HG11 VAL 5 1.001 -12.833 3.644 27 HG12 VAL 5 HG12 VAL 5 -0.609 -13.097 4.313 28 HG13 VAL 5 HG13 VAL 5 0.251 -11.595 4.651 29 HG21 VAL 5 HG21 VAL 5 -0.015 -10.237 1.211 30 HG22 VAL 5 HG22 VAL 5 1.301 -11.324 1.658 31 HG23 VAL 5 HG23 VAL 5 0.792 -10.052 2.769 32 HA PRO 6 HA PRO 6 -3.397 -16.283 2.432 33 HB2 PRO 6 HB2 PRO 6 -1.951 -16.353 5.074 34 HB3 PRO 6 HB3 PRO 6 -2.623 -17.698 4.129 35 HG2 PRO 6 HG2 PRO 6 -0.012 -17.142 4.080 36 HG3 PRO 6 HG3 PRO 6 -0.867 -17.701 2.631 37 HD2 PRO 6 HD2 PRO 6 0.215 -14.999 3.224 38 HD3 PRO 6 HD3 PRO 6 -0.174 -15.736 1.654 39 H THR 7 H THR 7 -2.533 -13.551 4.430 40 HA THR 7 HA THR 7 -5.339 -13.070 5.063 41 HB THR 7 HB THR 7 -4.852 -12.793 7.493 42 HG1 THR 7 HG1 THR 7 -2.838 -12.823 8.021 43 HG21 THR 7 HG21 THR 7 -4.158 -15.590 6.589 44 HG22 THR 7 HG22 THR 7 -5.783 -14.926 6.422 45 HG23 THR 7 HG23 THR 7 -5.062 -15.103 8.022 46 H THR 8 H THR 8 -5.718 -10.921 5.851 47 HA THR 8 HA THR 8 -5.424 -8.646 5.713 48 HB THR 8 HB THR 8 -3.538 -7.772 6.849 49 HG1 THR 8 HG1 THR 8 -1.975 -9.961 6.986 50 HG21 THR 8 HG21 THR 8 -4.996 -9.224 8.236 51 HG22 THR 8 HG22 THR 8 -3.327 -9.230 8.806 52 HG23 THR 8 HG23 THR 8 -3.946 -10.594 7.875 53 H CYS 9 H CYS 9 -5.690 -8.902 3.354 54 HA CYS 9 HA CYS 9 -3.414 -8.988 1.628 55 HB2 CYS 9 HB2 CYS 9 -4.988 -8.452 -0.143 56 HB3 CYS 9 HB3 CYS 9 -5.716 -9.644 0.933 57 H CYS 10 H CYS 10 -5.107 -6.471 3.324 58 HA CYS 10 HA CYS 10 -3.065 -4.553 2.662 59 HB2 CYS 10 HB2 CYS 10 -5.059 -4.678 0.809 60 HB3 CYS 10 HB3 CYS 10 -5.746 -3.493 1.914 61 H PHE 11 H PHE 11 -4.727 -5.912 4.904 62 HA PHE 11 HA PHE 11 -5.711 -5.331 6.921 63 HB2 PHE 11 HB2 PHE 11 -3.624 -3.160 6.603 64 HB3 PHE 11 HB3 PHE 11 -4.464 -3.526 8.110 65 HD1 PHE 11 HD1 PHE 11 -2.074 -4.804 5.592 66 HD2 PHE 11 HD2 PHE 11 -3.955 -5.516 9.386 67 HE1 PHE 11 HE1 PHE 11 -0.449 -6.619 6.056 68 HE2 PHE 11 HE2 PHE 11 -2.331 -7.331 9.852 69 HZ PHE 11 HZ PHE 11 -0.577 -7.882 8.186 70 H ASN 12 H ASN 12 -4.955 -1.989 6.254 71 HA ASN 12 HA ASN 12 -7.563 -1.313 5.263 72 HB2 ASN 12 HB2 ASN 12 -7.707 0.344 7.432 73 HB3 ASN 12 HB3 ASN 12 -8.541 -1.202 7.325 74 HD21 ASN 12 HD21 ASN 12 -8.373 -1.768 9.565 75 HD22 ASN 12 HD22 ASN 12 -6.886 -2.066 10.326 76 H LEU 13 H LEU 13 -7.764 1.245 5.531 77 HA LEU 13 HA LEU 13 -5.612 2.306 3.992 78 HB2 LEU 13 HB2 LEU 13 -7.691 4.000 5.360 79 HB3 LEU 13 HB3 LEU 13 -6.915 4.245 3.796 80 HG LEU 13 HG LEU 13 -8.903 2.068 4.495 81 HD11 LEU 13 HD11 LEU 13 -10.138 4.046 4.154 82 HD12 LEU 13 HD12 LEU 13 -10.147 3.283 2.564 83 HD13 LEU 13 HD13 LEU 13 -9.045 4.621 2.895 84 HD21 LEU 13 HD21 LEU 13 -8.725 1.653 1.965 85 HD22 LEU 13 HD22 LEU 13 -7.363 1.112 2.947 86 HD23 LEU 13 HD23 LEU 13 -7.245 2.610 2.023 87 H ALA 14 H ALA 14 -4.196 4.018 4.539 88 HA ALA 14 HA ALA 14 -2.927 3.777 7.038 89 HB1 ALA 14 HB1 ALA 14 -1.507 5.523 6.321 90 HB2 ALA 14 HB2 ALA 14 -2.757 6.238 5.304 91 HB3 ALA 14 HB3 ALA 14 -1.997 4.719 4.830 92 H ASN 15 H ASN 15 -2.640 6.754 7.397 93 HA ASN 15 HA ASN 15 -5.224 7.690 8.265 94 HB2 ASN 15 HB2 ASN 15 -3.202 6.702 10.278 95 HB3 ASN 15 HB3 ASN 15 -4.437 7.889 10.694 96 HD21 ASN 15 HD21 ASN 15 -6.771 7.173 10.201 97 HD22 ASN 15 HD22 ASN 15 -7.138 5.526 10.389 98 H ARG 16 H ARG 16 -2.107 8.133 7.266 99 HA ARG 16 HA ARG 16 -2.292 11.024 7.655 100 HB2 ARG 16 HB2 ARG 16 0.078 9.403 8.607 101 HB3 ARG 16 HB3 ARG 16 0.037 11.161 8.492 102 HG2 ARG 16 HG2 ARG 16 -2.057 11.041 9.986 103 HG3 ARG 16 HG3 ARG 16 -1.585 9.373 10.308 104 HD2 ARG 16 HD2 ARG 16 0.714 10.309 10.938 105 HD3 ARG 16 HD3 ARG 16 -0.046 11.897 10.931 106 HE ARG 16 HE ARG 16 -0.315 9.894 12.962 107 HH11 ARG 16 HH21 ARG 16 -1.940 12.434 11.264 108 HH12 ARG 16 HH22 ARG 16 -3.028 12.794 12.563 109 HH21 ARG 16 HH11 ARG 16 -1.740 10.360 14.669 110 HH22 ARG 16 HH12 ARG 16 -2.915 11.619 14.491 111 H LYS 17 H LYS 17 0.093 11.832 6.722 112 HA LYS 17 HA LYS 17 -0.013 10.984 3.922 113 HB2 LYS 17 HB2 LYS 17 -0.058 13.350 4.261 114 HB3 LYS 17 HB3 LYS 17 1.326 13.287 5.352 115 HG2 LYS 17 HG2 LYS 17 2.846 12.846 3.601 116 HG3 LYS 17 HG3 LYS 17 1.572 12.328 2.499 117 HD2 LYS 17 HD2 LYS 17 0.727 14.614 2.339 118 HD3 LYS 17 HD3 LYS 17 1.905 15.161 3.532 119 HE2 LYS 17 HE2 LYS 17 2.515 14.021 0.788 120 HE3 LYS 17 HE3 LYS 17 2.730 15.695 1.302 121 HZ1 LYS 17 HZ1 LYS 17 4.217 14.707 3.102 122 HZ2 LYS 17 HZ2 LYS 17 4.828 14.757 1.518 123 HZ3 LYS 17 HZ3 LYS 17 4.230 13.299 2.155 124 H ILE 18 H ILE 18 1.386 9.605 3.063 125 HA ILE 18 HA ILE 18 3.588 8.571 4.583 126 HB ILE 18 HB ILE 18 2.218 7.993 2.021 127 HG12 ILE 18 HG12 ILE 18 1.946 6.685 4.154 128 HG13 ILE 18 HG13 ILE 18 2.335 5.712 2.745 129 HG21 ILE 18 HG21 ILE 18 4.323 8.259 0.973 130 HG22 ILE 18 HG22 ILE 18 4.142 6.524 1.227 131 HG23 ILE 18 HG23 ILE 18 5.176 7.468 2.298 132 HD11 ILE 18 HD11 ILE 18 3.761 4.829 4.374 133 HD12 ILE 18 HD12 ILE 18 4.070 6.386 5.108 134 HD13 ILE 18 HD13 ILE 18 4.825 5.970 3.580 135 HA PRO 19 HA PRO 19 6.501 11.677 3.189 136 HB2 PRO 19 HB2 PRO 19 8.869 10.293 3.464 137 HB3 PRO 19 HB3 PRO 19 7.975 10.985 4.833 138 HG2 PRO 19 HG2 PRO 19 7.962 8.178 3.803 139 HG3 PRO 19 HG3 PRO 19 8.080 8.757 5.472 140 HD2 PRO 19 HD2 PRO 19 5.755 7.863 4.493 141 HD3 PRO 19 HD3 PRO 19 5.793 9.244 5.606 142 H LEU 20 H LEU 20 7.117 12.298 1.187 143 HA LEU 20 HA LEU 20 6.836 10.518 -1.021 144 HB2 LEU 20 HB2 LEU 20 7.556 13.403 -0.674 145 HB3 LEU 20 HB3 LEU 20 7.889 12.639 -2.228 146 HG LEU 20 HG LEU 20 5.531 11.912 -2.374 147 HD11 LEU 20 HD11 LEU 20 4.987 11.699 -0.028 148 HD12 LEU 20 HD12 LEU 20 3.909 12.902 -0.734 149 HD13 LEU 20 HD13 LEU 20 5.285 13.416 0.242 150 HD21 LEU 20 HD21 LEU 20 6.356 14.198 -3.186 151 HD22 LEU 20 HD22 LEU 20 5.609 14.867 -1.735 152 HD23 LEU 20 HD23 LEU 20 4.617 14.040 -2.938 153 H GLN 21 H GLN 21 9.560 11.505 0.900 154 HA GLN 21 HA GLN 21 11.617 11.013 -0.974 155 HB2 GLN 21 HB2 GLN 21 13.015 10.644 1.159 156 HB3 GLN 21 HB3 GLN 21 12.252 12.218 0.942 157 HG2 GLN 21 HG2 GLN 21 10.474 11.658 2.449 158 HG3 GLN 21 HG3 GLN 21 10.968 9.966 2.498 159 HE21 GLN 21 HE21 GLN 21 11.413 13.047 3.990 160 HE22 GLN 21 HE22 GLN 21 12.696 12.606 5.010 161 H ARG 22 H ARG 22 9.963 8.860 1.310 162 HA ARG 22 HA ARG 22 11.665 6.603 0.590 163 HB2 ARG 22 HB2 ARG 22 9.258 6.844 2.402 164 HB3 ARG 22 HB3 ARG 22 10.198 5.368 2.194 165 HG2 ARG 22 HG2 ARG 22 11.962 6.149 3.456 166 HG3 ARG 22 HG3 ARG 22 11.818 7.791 2.836 167 HD2 ARG 22 HD2 ARG 22 10.209 8.392 4.418 168 HD3 ARG 22 HD3 ARG 22 9.705 6.727 4.697 169 HE ARG 22 HE ARG 22 12.435 7.293 5.491 170 HH11 ARG 22 HH21 ARG 22 9.089 7.264 6.366 171 HH12 ARG 22 HH22 ARG 22 9.392 7.148 8.067 172 HH21 ARG 22 HH11 ARG 22 12.841 7.140 7.720 173 HH22 ARG 22 HH12 ARG 22 11.517 7.078 8.834 174 H LEU 23 H LEU 23 8.220 7.455 0.310 175 HA LEU 23 HA LEU 23 7.091 5.313 -0.860 176 HB2 LEU 23 HB2 LEU 23 5.656 7.117 -0.585 177 HB3 LEU 23 HB3 LEU 23 6.788 8.253 -1.275 178 HG LEU 23 HG LEU 23 4.719 7.846 -2.630 179 HD11 LEU 23 HD11 LEU 23 6.769 6.971 -4.538 180 HD12 LEU 23 HD12 LEU 23 7.309 8.296 -3.512 181 HD13 LEU 23 HD13 LEU 23 5.847 8.470 -4.464 182 HD21 LEU 23 HD21 LEU 23 5.227 5.141 -2.160 183 HD22 LEU 23 HD22 LEU 23 5.662 5.356 -3.851 184 HD23 LEU 23 HD23 LEU 23 4.064 5.803 -3.297 185 H GLU 24 H GLU 24 7.208 4.156 -2.713 186 HA GLU 24 HA GLU 24 9.252 4.950 -4.705 187 HB2 GLU 24 HB2 GLU 24 9.680 2.805 -3.665 188 HB3 GLU 24 HB3 GLU 24 8.047 2.259 -4.038 189 HG2 GLU 24 HG2 GLU 24 8.478 2.220 -6.377 190 HG3 GLU 24 HG3 GLU 24 9.964 3.152 -6.194 191 H SER 25 H SER 25 6.190 3.095 -4.707 192 HA SER 25 HA SER 25 5.114 4.743 -6.851 193 HB2 SER 25 HB2 SER 25 6.302 3.285 -8.274 194 HB3 SER 25 HB3 SER 25 5.969 1.883 -7.261 195 HG SER 25 HG SER 25 4.627 2.623 -9.341 196 H TYR 26 H TYR 26 2.883 3.833 -7.523 197 HA TYR 26 HA TYR 26 1.522 2.812 -5.093 198 HB2 TYR 26 HB2 TYR 26 -0.421 4.030 -5.732 199 HB3 TYR 26 HB3 TYR 26 0.935 5.141 -5.895 200 HD1 TYR 26 HD2 TYR 26 1.915 5.576 -8.173 201 HD2 TYR 26 HD1 TYR 26 -1.729 3.377 -7.616 202 HE1 TYR 26 HE2 TYR 26 1.347 5.927 -10.558 203 HE2 TYR 26 HE1 TYR 26 -2.300 3.719 -10.005 204 HH TYR 26 HH TYR 26 -1.010 5.972 -11.897 205 H ARG 27 H ARG 27 -0.419 1.500 -5.466 206 HA ARG 27 HA ARG 27 -0.688 0.151 -8.029 207 HB2 ARG 27 HB2 ARG 27 1.200 -1.032 -6.820 208 HB3 ARG 27 HB3 ARG 27 0.025 -1.475 -5.581 209 HG2 ARG 27 HG2 ARG 27 -1.336 -2.285 -7.809 210 HG3 ARG 27 HG3 ARG 27 0.318 -2.505 -8.374 211 HD2 ARG 27 HD2 ARG 27 -0.950 -3.721 -5.909 212 HD3 ARG 27 HD3 ARG 27 -0.414 -4.570 -7.356 213 HE ARG 27 HE ARG 27 1.757 -3.140 -6.200 214 HH11 ARG 27 HH21 ARG 27 -0.290 -5.897 -5.760 215 HH12 ARG 27 HH22 ARG 27 0.897 -6.811 -4.890 216 HH21 ARG 27 HH11 ARG 27 3.317 -4.333 -5.059 217 HH22 ARG 27 HH12 ARG 27 2.938 -5.926 -4.493 218 H ARG 28 H ARG 28 -2.709 -0.764 -8.278 219 HA ARG 28 HA ARG 28 -4.634 -0.190 -6.142 220 HB2 ARG 28 HB2 ARG 28 -4.758 0.228 -8.834 221 HB3 ARG 28 HB3 ARG 28 -5.584 -1.323 -8.728 222 HG2 ARG 28 HG2 ARG 28 -7.030 -0.309 -6.902 223 HG3 ARG 28 HG3 ARG 28 -6.301 1.249 -7.289 224 HD2 ARG 28 HD2 ARG 28 -7.676 -0.489 -9.351 225 HD3 ARG 28 HD3 ARG 28 -8.501 0.785 -8.459 226 HE ARG 28 HE ARG 28 -6.179 1.879 -9.610 227 HH11 ARG 28 HH21 ARG 28 -9.225 0.501 -10.499 228 HH12 ARG 28 HH22 ARG 28 -9.370 1.418 -11.961 229 HH21 ARG 28 HH11 ARG 28 -6.361 3.086 -11.525 230 HH22 ARG 28 HH12 ARG 28 -7.749 2.882 -12.541 231 H ILE 29 H ILE 29 -6.071 -1.703 -5.300 232 HA ILE 29 HA ILE 29 -5.186 -4.520 -5.532 233 HB ILE 29 HB ILE 29 -6.931 -4.223 -3.272 234 HG12 ILE 29 HG12 ILE 29 -4.786 -2.071 -3.367 235 HG13 ILE 29 HG13 ILE 29 -6.515 -1.778 -3.499 236 HG21 ILE 29 HG21 ILE 29 -4.824 -4.711 -2.004 237 HG22 ILE 29 HG22 ILE 29 -3.916 -4.488 -3.500 238 HG23 ILE 29 HG23 ILE 29 -5.086 -5.798 -3.366 239 HD11 ILE 29 HD11 ILE 29 -5.332 -1.522 -1.163 240 HD12 ILE 29 HD12 ILE 29 -5.467 -3.279 -1.110 241 HD13 ILE 29 HD13 ILE 29 -6.917 -2.291 -1.262 242 H THR 30 H THR 30 -8.238 -2.972 -4.533 243 HA THR 30 HA THR 30 -10.418 -3.479 -5.055 244 HB THR 30 HB THR 30 -10.937 -3.106 -7.272 245 HG1 THR 30 HG1 THR 30 -10.006 -4.200 -8.916 246 HG21 THR 30 HG21 THR 30 -9.378 -1.625 -8.212 247 HG22 THR 30 HG22 THR 30 -7.998 -2.549 -7.619 248 HG23 THR 30 HG23 THR 30 -8.962 -1.588 -6.500 249 H SER 31 H SER 31 -11.864 -5.190 -6.185 250 HA SER 31 HA SER 31 -12.601 -7.368 -6.062 251 HB2 SER 31 HB2 SER 31 -11.166 -7.390 -8.117 252 HB3 SER 31 HB3 SER 31 -9.833 -7.971 -7.123 253 HG SER 31 HG SER 31 -11.041 -9.663 -8.137 254 H GLY 32 H GLY 32 -11.821 -9.708 -5.356 255 HA2 GLY 32 HA2 GLY 32 -11.469 -10.967 -3.446 256 HA3 GLY 32 HA3 GLY 32 -9.854 -10.275 -3.560 257 H LYS 33 H LYS 33 -9.770 -10.376 -1.232 258 HA LYS 33 HA LYS 33 -11.573 -9.069 0.489 259 HB2 LYS 33 HB2 LYS 33 -8.599 -9.456 0.908 260 HB3 LYS 33 HB3 LYS 33 -9.820 -9.211 2.158 261 HG2 LYS 33 HG2 LYS 33 -10.940 -11.312 1.449 262 HG3 LYS 33 HG3 LYS 33 -9.665 -11.570 0.258 263 HD2 LYS 33 HD2 LYS 33 -7.984 -11.711 2.004 264 HD3 LYS 33 HD3 LYS 33 -9.172 -11.281 3.235 265 HE2 LYS 33 HE2 LYS 33 -8.708 -13.748 3.109 266 HE3 LYS 33 HE3 LYS 33 -10.403 -13.334 2.850 267 HZ1 LYS 33 HZ1 LYS 33 -9.255 -14.949 1.234 268 HZ2 LYS 33 HZ2 LYS 33 -8.558 -13.552 0.564 269 HZ3 LYS 33 HZ3 LYS 33 -10.247 -13.730 0.597 270 H CYS 34 H CYS 34 -9.158 -7.551 1.731 271 HA CYS 34 HA CYS 34 -8.463 -5.373 1.846 272 HB2 CYS 34 HB2 CYS 34 -8.889 -5.106 -1.121 273 HB3 CYS 34 HB3 CYS 34 -7.614 -4.417 -0.116 274 HA PRO 35 HA PRO 35 -12.287 -3.081 1.947 275 HB2 PRO 35 HB2 PRO 35 -11.411 -0.572 2.474 276 HB3 PRO 35 HB3 PRO 35 -11.256 -1.880 3.667 277 HG2 PRO 35 HG2 PRO 35 -9.203 -0.812 1.767 278 HG3 PRO 35 HG3 PRO 35 -9.049 -1.178 3.495 279 HD2 PRO 35 HD2 PRO 35 -8.200 -2.909 1.561 280 HD3 PRO 35 HD3 PRO 35 -8.820 -3.466 3.133 281 H GLN 36 H GLN 36 -13.277 -2.996 -0.036 282 HA GLN 36 HA GLN 36 -13.639 -2.459 -2.261 283 HB2 GLN 36 HB2 GLN 36 -14.051 -0.045 -2.564 284 HB3 GLN 36 HB3 GLN 36 -14.749 -0.642 -1.062 285 HG2 GLN 36 HG2 GLN 36 -12.968 0.317 0.243 286 HG3 GLN 36 HG3 GLN 36 -12.028 0.689 -1.201 287 HE21 GLN 36 HE21 GLN 36 -12.271 2.783 -1.987 288 HE22 GLN 36 HE22 GLN 36 -13.575 3.807 -1.625 289 H LYS 37 H LYS 37 -12.719 -0.238 -3.768 290 HA LYS 37 HA LYS 37 -10.075 -1.237 -4.480 291 HB2 LYS 37 HB2 LYS 37 -10.286 0.346 -6.395 292 HB3 LYS 37 HB3 LYS 37 -11.618 -0.803 -6.295 293 HG2 LYS 37 HG2 LYS 37 -12.977 0.922 -5.113 294 HG3 LYS 37 HG3 LYS 37 -11.652 2.065 -5.313 295 HD2 LYS 37 HD2 LYS 37 -12.999 2.580 -7.158 296 HD3 LYS 37 HD3 LYS 37 -11.842 1.452 -7.862 297 HE2 LYS 37 HE2 LYS 37 -13.430 -0.377 -7.681 298 HE3 LYS 37 HE3 LYS 37 -14.561 0.636 -6.786 299 HZ1 LYS 37 HZ1 LYS 37 -15.053 0.386 -9.201 300 HZ2 LYS 37 HZ2 LYS 37 -13.632 1.258 -9.532 301 HZ3 LYS 37 HZ3 LYS 37 -14.904 1.992 -8.677 302 H ALA 38 H ALA 38 -8.177 -0.221 -4.127 303 HA ALA 38 HA ALA 38 -8.058 2.582 -3.412 304 HB1 ALA 38 HB1 ALA 38 -6.841 1.935 -1.208 305 HB2 ALA 38 HB2 ALA 38 -7.689 0.399 -1.381 306 HB3 ALA 38 HB3 ALA 38 -8.604 1.899 -1.237 307 H VAL 39 H VAL 39 -5.977 3.440 -3.589 308 HA VAL 39 HA VAL 39 -4.096 1.793 -5.058 309 HB VAL 39 HB VAL 39 -2.836 3.812 -5.373 310 HG11 VAL 39 HG11 VAL 39 -5.116 3.489 -6.526 311 HG12 VAL 39 HG12 VAL 39 -4.439 5.114 -6.533 312 HG13 VAL 39 HG13 VAL 39 -5.722 4.700 -5.396 313 HG21 VAL 39 HG21 VAL 39 -2.838 4.749 -3.158 314 HG22 VAL 39 HG22 VAL 39 -4.595 4.911 -3.169 315 HG23 VAL 39 HG23 VAL 39 -3.607 5.931 -4.216 316 H ILE 40 H ILE 40 -1.930 1.358 -4.380 317 HA ILE 40 HA ILE 40 -1.558 1.397 -1.433 318 HB ILE 40 HB ILE 40 -0.860 -0.728 -3.467 319 HG12 ILE 40 HG12 ILE 40 -2.529 -0.872 -0.943 320 HG13 ILE 40 HG13 ILE 40 -3.209 -0.571 -2.542 321 HG21 ILE 40 HG21 ILE 40 -0.005 -1.982 -1.431 322 HG22 ILE 40 HG22 ILE 40 -0.046 -0.453 -0.560 323 HG23 ILE 40 HG23 ILE 40 1.013 -0.644 -1.956 324 HD11 ILE 40 HD11 ILE 40 -2.427 -2.696 -3.359 325 HD12 ILE 40 HD12 ILE 40 -3.251 -2.994 -1.828 326 HD13 ILE 40 HD13 ILE 40 -1.489 -2.976 -1.892 327 H PHE 41 H PHE 41 -0.118 3.037 -1.115 328 HA PHE 41 HA PHE 41 2.137 3.426 -2.911 329 HB2 PHE 41 HB2 PHE 41 1.601 4.707 -0.219 330 HB3 PHE 41 HB3 PHE 41 2.761 5.244 -1.430 331 HD1 PHE 41 HD2 PHE 41 1.799 5.758 -3.815 332 HD2 PHE 41 HD1 PHE 41 -0.567 5.586 -0.238 333 HE1 PHE 41 HE2 PHE 41 0.039 7.116 -4.916 334 HE2 PHE 41 HE1 PHE 41 -2.312 6.942 -1.328 335 HZ PHE 41 HZ PHE 41 -2.020 7.709 -3.672 336 H LYS 42 H LYS 42 3.927 2.228 -2.770 337 HA LYS 42 HA LYS 42 4.538 0.825 -0.244 338 HB2 LYS 42 HB2 LYS 42 6.267 -0.322 -1.806 339 HB3 LYS 42 HB3 LYS 42 4.562 -0.718 -2.014 340 HG2 LYS 42 HG2 LYS 42 4.354 0.673 -3.925 341 HG3 LYS 42 HG3 LYS 42 5.875 1.500 -3.589 342 HD2 LYS 42 HD2 LYS 42 6.035 -0.189 -5.447 343 HD3 LYS 42 HD3 LYS 42 7.146 -0.495 -4.112 344 HE2 LYS 42 HE2 LYS 42 4.417 -1.782 -4.183 345 HE3 LYS 42 HE3 LYS 42 5.787 -2.502 -5.027 346 HZ1 LYS 42 HZ1 LYS 42 6.804 -1.901 -2.591 347 HZ2 LYS 42 HZ2 LYS 42 6.257 -3.434 -3.077 348 HZ3 LYS 42 HZ3 LYS 42 5.226 -2.395 -2.214 349 H THR 43 H THR 43 6.684 0.875 0.600 350 HA THR 43 HA THR 43 8.466 2.998 -0.375 351 HB THR 43 HB THR 43 8.212 4.398 1.404 352 HG1 THR 43 HG1 THR 43 9.293 3.230 2.865 353 HG21 THR 43 HG21 THR 43 6.087 4.245 2.641 354 HG22 THR 43 HG22 THR 43 5.857 2.598 2.059 355 HG23 THR 43 HG23 THR 43 5.836 3.946 0.922 356 H LYS 44 H LYS 44 10.504 2.997 1.128 357 HA LYS 44 HA LYS 44 11.511 0.271 1.091 358 HB2 LYS 44 HB2 LYS 44 13.009 2.714 2.030 359 HB3 LYS 44 HB3 LYS 44 13.658 1.226 1.341 360 HG2 LYS 44 HG2 LYS 44 11.967 3.271 -0.128 361 HG3 LYS 44 HG3 LYS 44 13.703 3.029 -0.325 362 HD2 LYS 44 HD2 LYS 44 13.122 0.587 -0.908 363 HD3 LYS 44 HD3 LYS 44 11.459 1.153 -1.079 364 HE2 LYS 44 HE2 LYS 44 12.386 1.302 -3.263 365 HE3 LYS 44 HE3 LYS 44 12.404 2.954 -2.646 366 HZ1 LYS 44 HZ1 LYS 44 14.746 1.281 -2.132 367 HZ2 LYS 44 HZ2 LYS 44 14.647 2.952 -2.421 368 HZ3 LYS 44 HZ3 LYS 44 14.526 1.854 -3.713 369 H LEU 45 H LEU 45 9.539 1.502 3.181 370 HA LEU 45 HA LEU 45 10.899 1.438 5.670 371 HB2 LEU 45 HB2 LEU 45 8.092 1.583 4.738 372 HB3 LEU 45 HB3 LEU 45 8.279 0.817 6.307 373 HG LEU 45 HG LEU 45 7.891 3.219 6.559 374 HD11 LEU 45 HD11 LEU 45 9.375 3.488 8.273 375 HD12 LEU 45 HD12 LEU 45 10.777 3.073 7.292 376 HD13 LEU 45 HD13 LEU 45 9.737 1.799 7.929 377 HD21 LEU 45 HD21 LEU 45 10.156 3.424 4.596 378 HD22 LEU 45 HD22 LEU 45 9.980 4.690 5.806 379 HD23 LEU 45 HD23 LEU 45 8.661 4.348 4.692 380 H ALA 46 H ALA 46 8.239 -0.809 5.168 381 HA ALA 46 HA ALA 46 9.826 -3.173 5.072 382 HB1 ALA 46 HB1 ALA 46 8.548 -2.670 7.758 383 HB2 ALA 46 HB2 ALA 46 10.245 -2.317 7.434 384 HB3 ALA 46 HB3 ALA 46 9.649 -3.971 7.303 385 H LYS 47 H LYS 47 7.101 -1.642 4.441 386 HA LYS 47 HA LYS 47 5.640 -4.007 3.844 387 HB2 LYS 47 HB2 LYS 47 3.819 -3.873 5.372 388 HB3 LYS 47 HB3 LYS 47 5.285 -3.813 6.345 389 HG2 LYS 47 HG2 LYS 47 3.519 -1.475 5.560 390 HG3 LYS 47 HG3 LYS 47 3.777 -2.121 7.177 391 HD2 LYS 47 HD2 LYS 47 6.273 -1.576 6.802 392 HD3 LYS 47 HD3 LYS 47 5.722 -0.593 5.445 393 HE2 LYS 47 HE2 LYS 47 5.939 0.759 7.500 394 HE3 LYS 47 HE3 LYS 47 4.264 0.691 6.950 395 HZ1 LYS 47 HZ1 LYS 47 3.701 -0.166 8.895 396 HZ2 LYS 47 HZ2 LYS 47 5.316 -0.111 9.418 397 HZ3 LYS 47 HZ3 LYS 47 4.722 -1.494 8.631 398 H ASP 48 H ASP 48 3.354 -3.454 3.106 399 HA ASP 48 HA ASP 48 3.505 -1.039 1.445 400 HB2 ASP 48 HB2 ASP 48 1.443 -2.082 0.387 401 HB3 ASP 48 HB3 ASP 48 2.941 -2.991 0.213 402 H ILE 49 H ILE 49 1.844 0.495 1.348 403 HA ILE 49 HA ILE 49 0.067 0.603 3.730 404 HB ILE 49 HB ILE 49 1.303 2.886 2.165 405 HG12 ILE 49 HG12 ILE 49 2.233 3.165 4.709 406 HG13 ILE 49 HG13 ILE 49 2.083 1.413 4.666 407 HG21 ILE 49 HG21 ILE 49 0.350 4.218 4.101 408 HG22 ILE 49 HG22 ILE 49 -0.562 2.775 4.545 409 HG23 ILE 49 HG23 ILE 49 -0.844 3.553 2.987 410 HD11 ILE 49 HD11 ILE 49 3.504 1.306 2.677 411 HD12 ILE 49 HD12 ILE 49 4.336 2.192 3.956 412 HD13 ILE 49 HD13 ILE 49 3.592 3.067 2.619 413 H CYS 50 H CYS 50 -2.074 0.854 3.380 414 HA CYS 50 HA CYS 50 -3.014 0.997 0.580 415 HB2 CYS 50 HB2 CYS 50 -4.741 0.389 2.970 416 HB3 CYS 50 HB3 CYS 50 -4.948 -0.120 1.295 417 H ALA 51 H ALA 51 -4.650 2.462 -0.041 418 HA ALA 51 HA ALA 51 -5.737 4.392 1.778 419 HB1 ALA 51 HB1 ALA 51 -3.998 5.722 -0.258 420 HB2 ALA 51 HB2 ALA 51 -3.211 5.019 1.152 421 HB3 ALA 51 HB3 ALA 51 -4.449 6.254 1.364 422 H ASP 52 H ASP 52 -7.543 5.323 0.944 423 HA ASP 52 HA ASP 52 -8.403 4.424 -1.681 424 HB2 ASP 52 HB2 ASP 52 -9.702 4.635 0.666 425 HB3 ASP 52 HB3 ASP 52 -10.123 6.207 0.001 426 HA PRO 53 HA PRO 53 -7.436 8.316 -3.680 427 HB2 PRO 53 HB2 PRO 53 -9.138 8.201 -5.832 428 HB3 PRO 53 HB3 PRO 53 -7.641 7.256 -5.715 429 HG2 PRO 53 HG2 PRO 53 -10.452 6.411 -5.168 430 HG3 PRO 53 HG3 PRO 53 -9.156 5.539 -6.008 431 HD2 PRO 53 HD2 PRO 53 -9.822 5.001 -3.428 432 HD3 PRO 53 HD3 PRO 53 -8.157 4.834 -4.029 433 H LYS 54 H LYS 54 -8.498 9.263 -1.671 434 HA LYS 54 HA LYS 54 -10.572 11.126 -2.542 435 HB2 LYS 54 HB2 LYS 54 -10.911 9.230 -0.200 436 HB3 LYS 54 HB3 LYS 54 -11.807 10.739 -0.332 437 HG2 LYS 54 HG2 LYS 54 -13.354 9.456 -1.443 438 HG3 LYS 54 HG3 LYS 54 -12.286 9.666 -2.825 439 HD2 LYS 54 HD2 LYS 54 -11.065 7.550 -1.921 440 HD3 LYS 54 HD3 LYS 54 -12.524 7.306 -0.963 441 HE2 LYS 54 HE2 LYS 54 -12.653 6.084 -3.111 442 HE3 LYS 54 HE3 LYS 54 -13.892 7.334 -3.010 443 HZ1 LYS 54 HZ1 LYS 54 -12.664 8.745 -4.409 444 HZ2 LYS 54 HZ2 LYS 54 -12.598 7.216 -5.149 445 HZ3 LYS 54 HZ3 LYS 54 -11.260 7.801 -4.282 446 H LYS 55 H LYS 55 -8.472 10.012 0.097 447 HA LYS 55 HA LYS 55 -8.388 12.530 1.423 448 HB2 LYS 55 HB2 LYS 55 -5.962 10.970 1.862 449 HB3 LYS 55 HB3 LYS 55 -7.259 11.334 2.993 450 HG2 LYS 55 HG2 LYS 55 -8.607 9.478 1.947 451 HG3 LYS 55 HG3 LYS 55 -7.201 9.071 0.978 452 HD2 LYS 55 HD2 LYS 55 -6.940 7.614 2.785 453 HD3 LYS 55 HD3 LYS 55 -5.953 8.978 3.297 454 HE2 LYS 55 HE2 LYS 55 -7.469 8.140 5.095 455 HE3 LYS 55 HE3 LYS 55 -7.768 9.826 4.689 456 HZ1 LYS 55 HZ1 LYS 55 -9.277 7.887 3.152 457 HZ2 LYS 55 HZ2 LYS 55 -9.780 9.355 3.846 458 HZ3 LYS 55 HZ3 LYS 55 -9.667 7.954 4.802 459 H LYS 56 H LYS 56 -6.932 14.205 1.254 460 HA LYS 56 HA LYS 56 -6.025 14.948 -1.224 461 HB2 LYS 56 HB2 LYS 56 -6.265 16.380 0.854 462 HB3 LYS 56 HB3 LYS 56 -4.673 15.801 1.334 463 HG2 LYS 56 HG2 LYS 56 -4.073 17.738 0.191 464 HG3 LYS 56 HG3 LYS 56 -3.991 16.566 -1.117 465 HD2 LYS 56 HD2 LYS 56 -5.285 18.228 -2.115 466 HD3 LYS 56 HD3 LYS 56 -6.548 17.202 -1.446 467 HE2 LYS 56 HE2 LYS 56 -6.959 19.585 -0.927 468 HE3 LYS 56 HE3 LYS 56 -6.686 18.654 0.545 469 HZ1 LYS 56 HZ1 LYS 56 -4.537 19.488 0.762 470 HZ2 LYS 56 HZ2 LYS 56 -5.452 20.842 0.298 471 HZ3 LYS 56 HZ3 LYS 56 -4.477 20.042 -0.841 472 H TRP 57 H TRP 57 -3.851 13.709 1.366 473 HA TRP 57 HA TRP 57 -1.546 13.749 -0.186 474 HB2 TRP 57 HB2 TRP 57 -0.508 12.407 1.451 475 HB3 TRP 57 HB3 TRP 57 -1.703 13.367 2.310 476 HD1 TRP 57 HD1 TRP 57 -3.894 12.121 3.185 477 HE1 TRP 57 HE1 TRP 57 -4.341 9.637 3.707 478 HE3 TRP 57 HE3 TRP 57 0.031 9.971 0.715 479 HZ2 TRP 57 HZ2 TRP 57 -3.191 7.079 3.152 480 HZ3 TRP 57 HZ3 TRP 57 0.329 7.512 0.727 481 HH2 TRP 57 HH2 TRP 57 -1.275 6.065 1.944 482 H VAL 58 H VAL 58 -4.132 11.388 -0.229 483 HA VAL 58 HA VAL 58 -2.643 9.322 -1.512 484 HB VAL 58 HB VAL 58 -5.613 9.913 -1.472 485 HG11 VAL 58 HG11 VAL 58 -5.803 7.509 -2.242 486 HG12 VAL 58 HG12 VAL 58 -4.085 7.563 -2.608 487 HG13 VAL 58 HG13 VAL 58 -5.192 8.622 -3.464 488 HG21 VAL 58 HG21 VAL 58 -4.880 9.290 0.704 489 HG22 VAL 58 HG22 VAL 58 -3.777 8.076 0.073 490 HG23 VAL 58 HG23 VAL 58 -5.516 7.806 -0.000 491 H GLN 59 H GLN 59 -4.921 11.749 -2.808 492 HA GLN 59 HA GLN 59 -4.402 11.090 -5.520 493 HB2 GLN 59 HB2 GLN 59 -5.341 13.844 -4.812 494 HB3 GLN 59 HB3 GLN 59 -5.932 12.735 -6.050 495 HG2 GLN 59 HG2 GLN 59 -6.689 11.283 -3.979 496 HG3 GLN 59 HG3 GLN 59 -6.562 12.805 -3.109 497 HE21 GLN 59 HE21 GLN 59 -8.128 14.468 -3.570 498 HE22 GLN 59 HE22 GLN 59 -9.477 14.186 -4.562 499 H ASP 60 H ASP 60 -2.948 13.354 -3.264 500 HA ASP 60 HA ASP 60 -1.432 14.767 -5.254 501 HB2 ASP 60 HB2 ASP 60 -2.156 15.625 -2.953 502 HB3 ASP 60 HB3 ASP 60 -0.826 14.670 -2.303 503 H SER 61 H SER 61 -0.920 11.899 -3.326 504 HA SER 61 HA SER 61 1.922 11.835 -3.506 505 HB2 SER 61 HB2 SER 61 1.548 9.344 -3.013 506 HB3 SER 61 HB3 SER 61 0.962 10.497 -1.818 507 HG SER 61 HG SER 61 -0.680 9.065 -2.226 508 H MET 62 H MET 62 -0.603 10.108 -5.382 509 HA MET 62 HA MET 62 1.271 8.906 -7.163 510 HB2 MET 62 HB2 MET 62 -0.794 8.513 -8.592 511 HB3 MET 62 HB3 MET 62 -0.850 7.844 -6.962 512 HG2 MET 62 HG2 MET 62 -2.215 9.649 -6.179 513 HG3 MET 62 HG3 MET 62 -1.969 10.561 -7.660 514 HE1 MET 62 HE1 MET 62 -4.239 8.585 -5.703 515 HE2 MET 62 HE2 MET 62 -3.340 7.159 -6.214 516 HE3 MET 62 HE3 MET 62 -5.012 7.369 -6.729 517 H LYS 63 H LYS 63 -0.524 11.934 -7.194 518 HA LYS 63 HA LYS 63 -0.133 12.623 -9.895 519 HB2 LYS 63 HB2 LYS 63 -1.687 13.876 -8.517 520 HB3 LYS 63 HB3 LYS 63 -0.391 14.363 -7.428 521 HG2 LYS 63 HG2 LYS 63 -1.037 16.156 -9.045 522 HG3 LYS 63 HG3 LYS 63 0.655 15.689 -9.187 523 HD2 LYS 63 HD2 LYS 63 0.290 14.502 -11.193 524 HD3 LYS 63 HD3 LYS 63 -1.446 14.377 -10.912 525 HE2 LYS 63 HE2 LYS 63 -0.006 16.997 -11.405 526 HE3 LYS 63 HE3 LYS 63 -0.804 16.065 -12.672 527 HZ1 LYS 63 HZ1 LYS 63 -1.986 17.497 -10.395 528 HZ2 LYS 63 HZ2 LYS 63 -2.794 16.146 -11.033 529 HZ3 LYS 63 HZ3 LYS 63 -2.462 17.486 -12.023 530 H TYR 64 H TYR 64 1.890 12.902 -7.049 531 HA TYR 64 HA TYR 64 3.928 14.500 -8.259 532 HB2 TYR 64 HB2 TYR 64 4.255 14.682 -6.005 533 HB3 TYR 64 HB3 TYR 64 3.419 13.170 -5.686 534 HD1 TYR 64 HD1 TYR 64 6.589 14.172 -7.451 535 HD2 TYR 64 HD2 TYR 64 4.731 11.615 -4.540 536 HE1 TYR 64 HE1 TYR 64 8.770 13.075 -7.019 537 HE2 TYR 64 HE2 TYR 64 6.913 10.524 -4.105 538 HH TYR 64 HH TYR 64 9.792 11.777 -4.926 539 H LEU 65 H LEU 65 3.276 11.060 -7.993 540 HA LEU 65 HA LEU 65 5.836 10.222 -8.979 541 HB2 LEU 65 HB2 LEU 65 3.191 8.850 -8.519 542 HB3 LEU 65 HB3 LEU 65 4.497 8.016 -9.361 543 HG LEU 65 HG LEU 65 5.106 9.380 -6.741 544 HD11 LEU 65 HD11 LEU 65 4.597 7.016 -5.719 545 HD12 LEU 65 HD12 LEU 65 3.521 6.849 -7.102 546 HD13 LEU 65 HD13 LEU 65 3.274 8.159 -5.951 547 HD21 LEU 65 HD21 LEU 65 6.768 8.179 -8.400 548 HD22 LEU 65 HD22 LEU 65 6.115 6.701 -7.699 549 HD23 LEU 65 HD23 LEU 65 6.917 7.886 -6.671 550 H ASP 66 H ASP 66 2.959 11.411 -10.384 551 HA ASP 66 HA ASP 66 3.112 10.168 -12.929 552 HB2 ASP 66 HB2 ASP 66 1.174 11.491 -11.843 553 HB3 ASP 66 HB3 ASP 66 1.993 12.926 -12.454 554 H GLN 67 H GLN 67 4.562 13.074 -11.558 555 HA GLN 67 HA GLN 67 5.525 14.223 -13.944 556 HB2 GLN 67 HB2 GLN 67 6.813 14.344 -11.207 557 HB3 GLN 67 HB3 GLN 67 7.025 15.493 -12.528 558 HG2 GLN 67 HG2 GLN 67 4.613 16.040 -12.431 559 HG3 GLN 67 HG3 GLN 67 4.419 14.911 -11.091 560 HE21 GLN 67 HE21 GLN 67 5.211 15.556 -8.990 561 HE22 GLN 67 HE22 GLN 67 5.762 17.131 -8.680 562 H LYS 68 H LYS 68 7.204 12.132 -11.584 563 HA LYS 68 HA LYS 68 9.457 11.771 -13.373 564 HB2 LYS 68 HB2 LYS 68 10.306 10.275 -11.588 565 HB3 LYS 68 HB3 LYS 68 9.867 11.870 -10.977 566 HG2 LYS 68 HG2 LYS 68 7.626 10.927 -10.326 567 HG3 LYS 68 HG3 LYS 68 8.219 9.333 -10.777 568 HD2 LYS 68 HD2 LYS 68 9.719 11.059 -8.801 569 HD3 LYS 68 HD3 LYS 68 8.394 10.020 -8.285 570 HE2 LYS 68 HE2 LYS 68 9.586 8.082 -9.375 571 HE3 LYS 68 HE3 LYS 68 10.957 9.157 -9.654 572 HZ1 LYS 68 HZ1 LYS 68 10.713 9.627 -7.141 573 HZ2 LYS 68 HZ2 LYS 68 11.484 8.200 -7.651 574 HZ3 LYS 68 HZ3 LYS 68 9.873 8.153 -7.112 575 H SER 69 H SER 69 10.246 9.439 -13.682 576 HA SER 69 HA SER 69 7.981 7.772 -14.640 577 HB2 SER 69 HB2 SER 69 9.370 8.637 -16.454 578 HB3 SER 69 HB3 SER 69 10.814 7.989 -15.680 579 HG SER 69 HG SER 69 10.250 6.403 -17.032 580 HA PRO 70 HA PRO 70 9.811 5.428 -11.056 581 HB2 PRO 70 HB2 PRO 70 7.353 3.863 -11.803 582 HB3 PRO 70 HB3 PRO 70 7.983 4.267 -10.192 583 HG2 PRO 70 HG2 PRO 70 5.929 5.599 -11.198 584 HG3 PRO 70 HG3 PRO 70 7.196 6.445 -10.287 585 HD2 PRO 70 HD2 PRO 70 6.703 6.415 -13.242 586 HD3 PRO 70 HD3 PRO 70 7.351 7.719 -12.223 587 H THR 71 H THR 71 11.591 4.413 -11.844 588 HA THR 71 HA THR 71 11.533 2.735 -14.171 589 HB THR 71 HB THR 71 13.833 2.687 -14.012 590 HG1 THR 71 HG1 THR 71 14.908 2.437 -12.116 591 HG21 THR 71 HG21 THR 71 14.617 4.812 -13.254 592 HG22 THR 71 HG22 THR 71 13.322 4.944 -12.065 593 HG23 THR 71 HG23 THR 71 12.955 5.071 -13.786 594 HA PRO 72 HA PRO 72 12.127 -0.614 -10.563 595 HB2 PRO 72 HB2 PRO 72 9.835 0.460 -8.947 596 HB3 PRO 72 HB3 PRO 72 11.315 -0.355 -8.399 597 HG2 PRO 72 HG2 PRO 72 11.067 2.261 -8.134 598 HG3 PRO 72 HG3 PRO 72 12.612 1.556 -8.646 599 HD2 PRO 72 HD2 PRO 72 10.540 2.962 -10.304 600 HD3 PRO 72 HD3 PRO 72 12.314 3.040 -10.422 601 H LYS 73 H LYS 73 8.749 0.564 -10.579 602 HA LYS 73 HA LYS 73 6.806 -0.414 -11.329 603 HB2 LYS 73 HB2 LYS 73 7.975 0.057 -13.500 604 HB3 LYS 73 HB3 LYS 73 8.598 -1.592 -13.461 605 HG2 LYS 73 HG2 LYS 73 6.394 -2.525 -13.583 606 HG3 LYS 73 HG3 LYS 73 5.644 -0.957 -13.283 607 HD2 LYS 73 HD2 LYS 73 5.560 -1.605 -15.688 608 HD3 LYS 73 HD3 LYS 73 6.461 -0.112 -15.422 609 HE2 LYS 73 HE2 LYS 73 7.508 -1.915 -16.975 610 HE3 LYS 73 HE3 LYS 73 8.541 -1.159 -15.762 611 HZ1 LYS 73 HZ1 LYS 73 8.331 -3.778 -16.041 612 HZ2 LYS 73 HZ2 LYS 73 7.069 -3.530 -14.932 613 HZ3 LYS 73 HZ3 LYS 73 8.650 -3.040 -14.547 614 HA PRO 74 HA PRO 74 7.977 -4.559 -9.587 615 HB2 PRO 74 HB2 PRO 74 6.804 -4.359 -7.160 616 HB3 PRO 74 HB3 PRO 74 8.396 -3.643 -7.486 617 HG2 PRO 74 HG2 PRO 74 5.720 -2.322 -7.366 618 HG3 PRO 74 HG3 PRO 74 7.283 -1.756 -6.747 619 HD2 PRO 74 HD2 PRO 74 6.166 -0.926 -9.157 620 HD3 PRO 74 HD3 PRO 74 7.903 -0.860 -8.790 621 H1 VAL 208 H1 VAL 208 -13.304 9.914 18.009 622 H2 VAL 208 H2 VAL 208 -14.100 11.385 17.707 623 H3 VAL 208 H3 VAL 208 -12.404 11.307 17.653 624 HA VAL 208 HA VAL 208 -12.451 9.928 15.715 625 HB VAL 208 HB VAL 208 -14.484 8.666 16.302 626 HG11 VAL 208 HG11 VAL 208 -15.709 10.722 17.147 627 HG12 VAL 208 HG12 VAL 208 -16.674 9.646 16.138 628 HG13 VAL 208 HG13 VAL 208 -16.020 11.138 15.463 629 HG21 VAL 208 HG21 VAL 208 -14.934 10.133 13.690 630 HG22 VAL 208 HG22 VAL 208 -15.366 8.467 14.079 631 HG23 VAL 208 HG23 VAL 208 -13.672 8.919 13.897 632 H GLU 209 H GLU 209 -12.748 10.820 13.561 633 HA GLU 209 HA GLU 209 -14.115 13.257 13.074 634 HB2 GLU 209 HB2 GLU 209 -12.415 14.232 14.525 635 HB3 GLU 209 HB3 GLU 209 -11.136 13.480 13.570 636 HG2 GLU 209 HG2 GLU 209 -11.624 14.828 11.668 637 HG3 GLU 209 HG3 GLU 209 -13.161 15.359 12.347 638 H THR 210 H THR 210 -10.828 12.685 11.971 639 HA THR 210 HA THR 210 -11.700 11.338 9.539 640 HB THR 210 HB THR 210 -10.654 13.073 8.076 641 HG1 THR 210 HG1 THR 210 -10.505 15.179 9.158 642 HG21 THR 210 HG21 THR 210 -12.569 14.481 8.022 643 HG22 THR 210 HG22 THR 210 -12.860 14.280 9.748 644 HG23 THR 210 HG23 THR 210 -13.151 12.938 8.644 645 H PHE 211 H PHE 211 -9.884 10.627 8.225 646 HA PHE 211 HA PHE 211 -7.727 9.670 9.818 647 HB2 PHE 211 HB2 PHE 211 -8.478 9.547 6.916 648 HB3 PHE 211 HB3 PHE 211 -6.824 9.138 7.359 649 HD1 PHE 211 HD1 PHE 211 -9.815 8.550 9.514 650 HD2 PHE 211 HD2 PHE 211 -6.897 6.768 6.900 651 HE1 PHE 211 HE1 PHE 211 -10.540 6.300 10.233 652 HE2 PHE 211 HE2 PHE 211 -7.629 4.520 7.631 653 HZ PHE 211 HZ PHE 211 -9.448 4.284 9.292 654 H GLY 212 H GLY 212 -5.978 10.710 10.432 655 HA2 GLY 212 HA2 GLY 212 -5.316 13.315 10.030 656 HA3 GLY 212 HA3 GLY 212 -4.117 12.079 10.382 657 H THR 213 H THR 213 -3.191 14.104 8.988 658 HA THR 213 HA THR 213 -2.591 12.948 6.381 659 HB THR 213 HB THR 213 -3.749 15.736 6.609 660 HG1 THR 213 HG1 THR 213 -5.554 14.720 6.396 661 HG21 THR 213 HG21 THR 213 -3.748 15.387 4.034 662 HG22 THR 213 HG22 THR 213 -2.560 14.125 4.356 663 HG23 THR 213 HG23 THR 213 -2.223 15.793 4.819 664 H THR 214 H THR 214 -1.726 14.582 9.146 665 HA THR 214 HA THR 214 0.359 16.263 8.110 666 HB THR 214 HB THR 214 -0.732 16.692 10.286 667 HG1 THR 214 HG1 THR 214 1.084 17.597 10.739 668 HG21 THR 214 HG21 THR 214 -0.418 15.257 12.157 669 HG22 THR 214 HG22 THR 214 0.814 14.313 11.319 670 HG23 THR 214 HG23 THR 214 -0.874 14.194 10.826 671 H SER 215 H SER 215 2.343 15.433 10.125 672 HA SER 215 HA SER 215 4.066 13.921 8.578 673 HB2 SER 215 HB2 SER 215 4.055 13.773 11.589 674 HB3 SER 215 HB3 SER 215 5.435 13.697 10.498 675 HG SER 215 HG SER 215 4.453 15.817 11.665 676 H TYS 216 H TYS 216 5.007 11.723 9.730 677 HA TYS 216 HA TYS 216 2.991 9.886 10.595 678 HB2 TYS 216 HB2 TYS 216 2.314 10.031 8.262 679 HB3 TYS 216 HB1 TYS 216 3.962 9.686 7.738 680 HD1 TYS 216 HD1 TYS 216 1.422 8.232 10.114 681 HD2 TYS 216 HD2 TYS 216 4.389 7.487 7.103 682 HE1 TYS 216 HE1 TYS 216 0.938 5.807 10.240 683 HE2 TYS 216 HE2 TYS 216 3.900 5.058 7.223 684 H TYS 217 H TYS 217 6.059 10.882 10.476 685 HA TYS 217 HA TYS 217 7.063 8.408 11.594 686 HB2 TYS 217 HB2 TYS 217 7.978 9.428 8.913 687 HB3 TYS 217 HB1 TYS 217 9.131 8.613 9.966 688 HD1 TYS 217 HD1 TYS 217 6.881 8.067 7.354 689 HD2 TYS 217 HD2 TYS 217 8.076 6.380 11.124 690 HE1 TYS 217 HE1 TYS 217 6.005 5.856 6.645 691 HE2 TYS 217 HE2 TYS 217 7.188 4.179 10.418 692 H ASP 218 H ASP 218 6.785 10.389 13.156 693 HA ASP 218 HA ASP 218 8.509 12.551 13.211 694 HB2 ASP 218 HB2 ASP 218 7.656 10.857 15.573 695 HB3 ASP 218 HB3 ASP 218 8.263 12.511 15.651 696 H ASP 219 H ASP 219 9.074 9.401 14.798 697 HA ASP 219 HA ASP 219 11.911 9.992 15.092 698 HB2 ASP 219 HB2 ASP 219 10.373 7.478 15.760 699 HB3 ASP 219 HB3 ASP 219 12.014 7.866 16.270 700 H VAL 220 H VAL 220 12.941 9.939 13.164 701 HA VAL 220 HA VAL 220 12.341 8.077 11.090 702 HB VAL 220 HB VAL 220 14.956 9.550 11.384 703 HG11 VAL 220 HG11 VAL 220 14.725 8.017 9.480 704 HG12 VAL 220 HG12 VAL 220 14.720 9.688 8.914 705 HG13 VAL 220 HG13 VAL 220 13.207 8.788 9.025 706 HG21 VAL 220 HG21 VAL 220 12.238 10.632 10.589 707 HG22 VAL 220 HG22 VAL 220 13.756 11.454 10.232 708 HG23 VAL 220 HG23 VAL 220 13.266 11.195 11.906 709 H GLY 221 H GLY 221 13.884 7.696 14.029 710 HA2 GLY 221 HA2 GLY 221 15.910 5.800 13.207 711 HA3 GLY 221 HA3 GLY 221 15.433 6.175 14.862 712 H LEU 222 H LEU 222 12.548 5.722 13.835 713 HA LEU 222 HA LEU 222 12.091 3.218 14.916 714 HB2 LEU 222 HB2 LEU 222 10.592 4.931 12.958 715 HB3 LEU 222 HB3 LEU 222 9.994 3.310 13.302 716 HG LEU 222 HG LEU 222 10.689 5.165 15.582 717 HD11 LEU 222 HD11 LEU 222 8.397 6.021 15.589 718 HD12 LEU 222 HD12 LEU 222 8.018 5.088 14.142 719 HD13 LEU 222 HD13 LEU 222 9.168 6.421 14.054 720 HD21 LEU 222 HD21 LEU 222 10.183 2.846 16.155 721 HD22 LEU 222 HD22 LEU 222 8.707 2.894 15.193 722 HD23 LEU 222 HD23 LEU 222 8.833 3.859 16.662 723 H LEU 223 H LEU 223 12.393 4.027 11.451 724 HA LEU 223 HA LEU 223 12.110 1.546 10.324 725 HB2 LEU 223 HB2 LEU 223 12.419 3.469 8.918 726 HB3 LEU 223 HB3 LEU 223 14.017 3.778 9.589 727 HG LEU 223 HG LEU 223 14.924 1.801 8.552 728 HD11 LEU 223 HD11 LEU 223 13.228 0.165 8.804 729 HD12 LEU 223 HD12 LEU 223 13.324 0.415 7.062 730 HD13 LEU 223 HD13 LEU 223 12.023 1.164 7.990 731 HD21 LEU 223 HD21 LEU 223 14.669 2.359 6.231 732 HD22 LEU 223 HD22 LEU 223 14.498 3.866 7.130 733 HD23 LEU 223 HD23 LEU 223 13.067 3.044 6.506 Start of MODEL 11 1 H1 GLY 1 H1 GLY 1 0.245 -11.604 -9.165 2 H2 GLY 1 H2 GLY 1 1.111 -10.525 -8.178 3 H3 GLY 1 H3 GLY 1 -0.558 -10.311 -8.415 4 HA2 GLY 1 HA2 GLY 1 -0.873 -11.434 -6.542 5 HA3 GLY 1 HA3 GLY 1 -0.373 -12.858 -7.455 6 HA PRO 2 HA PRO 2 3.492 -13.516 -5.453 7 HB2 PRO 2 HB2 PRO 2 4.972 -11.993 -7.584 8 HB3 PRO 2 HB3 PRO 2 5.326 -13.590 -6.891 9 HG2 PRO 2 HG2 PRO 2 4.185 -13.375 -9.277 10 HG3 PRO 2 HG3 PRO 2 3.686 -14.644 -8.142 11 HD2 PRO 2 HD2 PRO 2 2.243 -12.139 -8.915 12 HD3 PRO 2 HD3 PRO 2 1.582 -13.712 -8.414 13 H ALA 3 H ALA 3 3.487 -10.237 -6.867 14 HA ALA 3 HA ALA 3 5.083 -9.093 -4.785 15 HB1 ALA 3 HB1 ALA 3 4.443 -6.936 -5.809 16 HB2 ALA 3 HB2 ALA 3 3.281 -7.779 -6.833 17 HB3 ALA 3 HB3 ALA 3 5.006 -8.092 -7.017 18 H SER 4 H SER 4 4.485 -8.095 -2.931 19 HA SER 4 HA SER 4 3.173 -7.531 -1.131 20 HB2 SER 4 HB2 SER 4 2.357 -5.874 -2.869 21 HB3 SER 4 HB3 SER 4 1.015 -6.972 -3.170 22 HG SER 4 HG SER 4 1.558 -5.344 -0.993 23 H VAL 5 H VAL 5 2.672 -9.234 0.106 24 HA VAL 5 HA VAL 5 0.155 -10.638 -0.377 25 HB VAL 5 HB VAL 5 1.324 -12.862 0.002 26 HG11 VAL 5 HG11 VAL 5 2.127 -11.411 -2.534 27 HG12 VAL 5 HG12 VAL 5 0.499 -12.016 -2.230 28 HG13 VAL 5 HG13 VAL 5 1.852 -13.141 -2.338 29 HG21 VAL 5 HG21 VAL 5 3.777 -11.345 -0.913 30 HG22 VAL 5 HG22 VAL 5 3.681 -13.015 -0.354 31 HG23 VAL 5 HG23 VAL 5 3.462 -11.688 0.788 32 HA PRO 6 HA PRO 6 1.424 -9.864 4.079 33 HB2 PRO 6 HB2 PRO 6 -0.436 -7.982 4.720 34 HB3 PRO 6 HB3 PRO 6 1.112 -7.564 3.956 35 HG2 PRO 6 HG2 PRO 6 -1.588 -7.869 2.707 36 HG3 PRO 6 HG3 PRO 6 -0.352 -6.627 2.425 37 HD2 PRO 6 HD2 PRO 6 -0.714 -8.780 0.754 38 HD3 PRO 6 HD3 PRO 6 0.857 -7.973 0.966 39 H THR 7 H THR 7 -0.592 -9.514 5.914 40 HA THR 7 HA THR 7 -1.803 -12.057 6.039 41 HB THR 7 HB THR 7 -2.699 -9.567 7.505 42 HG1 THR 7 HG1 THR 7 -0.470 -11.234 7.763 43 HG21 THR 7 HG21 THR 7 -4.200 -11.466 7.761 44 HG22 THR 7 HG22 THR 7 -3.285 -11.250 9.253 45 HG23 THR 7 HG23 THR 7 -2.841 -12.530 8.124 46 H THR 8 H THR 8 -2.712 -12.006 3.794 47 HA THR 8 HA THR 8 -4.496 -11.891 2.350 48 HB THR 8 HB THR 8 -6.120 -11.533 4.877 49 HG1 THR 8 HG1 THR 8 -4.632 -13.331 4.892 50 HG21 THR 8 HG21 THR 8 -6.747 -12.689 2.146 51 HG22 THR 8 HG22 THR 8 -7.382 -11.186 2.815 52 HG23 THR 8 HG23 THR 8 -7.838 -12.731 3.532 53 H CYS 9 H CYS 9 -3.507 -9.751 1.758 54 HA CYS 9 HA CYS 9 -3.767 -7.561 1.131 55 HB2 CYS 9 HB2 CYS 9 -6.125 -8.654 0.634 56 HB3 CYS 9 HB3 CYS 9 -6.653 -7.604 1.946 57 H CYS 10 H CYS 10 -3.342 -5.652 2.108 58 HA CYS 10 HA CYS 10 -2.853 -5.373 4.774 59 HB2 CYS 10 HB2 CYS 10 -2.794 -3.008 4.449 60 HB3 CYS 10 HB3 CYS 10 -2.283 -3.738 2.927 61 H PHE 11 H PHE 11 -3.926 -4.289 6.519 62 HA PHE 11 HA PHE 11 -6.416 -5.214 7.195 63 HB2 PHE 11 HB2 PHE 11 -5.196 -2.569 8.023 64 HB3 PHE 11 HB3 PHE 11 -6.508 -3.401 8.860 65 HD1 PHE 11 HD1 PHE 11 -6.107 -5.566 9.996 66 HD2 PHE 11 HD2 PHE 11 -2.912 -3.340 8.186 67 HE1 PHE 11 HE1 PHE 11 -4.452 -6.931 11.240 68 HE2 PHE 11 HE2 PHE 11 -1.256 -4.704 9.428 69 HZ PHE 11 HZ PHE 11 -2.026 -6.500 10.956 70 H ASN 12 H ASN 12 -5.904 -1.790 6.324 71 HA ASN 12 HA ASN 12 -8.208 -1.832 4.543 72 HB2 ASN 12 HB2 ASN 12 -9.182 0.180 5.832 73 HB3 ASN 12 HB3 ASN 12 -9.450 -1.429 6.500 74 HD21 ASN 12 HD21 ASN 12 -8.928 1.491 7.671 75 HD22 ASN 12 HD22 ASN 12 -7.835 1.170 8.929 76 H LEU 13 H LEU 13 -7.373 1.131 6.089 77 HA LEU 13 HA LEU 13 -5.757 1.948 3.730 78 HB2 LEU 13 HB2 LEU 13 -7.493 3.784 5.385 79 HB3 LEU 13 HB3 LEU 13 -6.751 4.105 3.819 80 HG LEU 13 HG LEU 13 -8.893 2.015 4.319 81 HD11 LEU 13 HD11 LEU 13 -9.666 4.394 4.543 82 HD12 LEU 13 HD12 LEU 13 -10.414 3.530 3.199 83 HD13 LEU 13 HD13 LEU 13 -9.112 4.680 2.894 84 HD21 LEU 13 HD21 LEU 13 -7.598 1.327 2.441 85 HD22 LEU 13 HD22 LEU 13 -7.417 2.979 1.861 86 HD23 LEU 13 HD23 LEU 13 -8.977 2.170 1.744 87 H ALA 14 H ALA 14 -5.287 4.563 4.961 88 HA ALA 14 HA ALA 14 -3.763 3.999 7.390 89 HB1 ALA 14 HB1 ALA 14 -2.105 3.380 5.780 90 HB2 ALA 14 HB2 ALA 14 -1.682 4.996 6.346 91 HB3 ALA 14 HB3 ALA 14 -2.462 4.786 4.777 92 H ASN 15 H ASN 15 -3.112 5.880 8.504 93 HA ASN 15 HA ASN 15 -4.718 8.245 7.851 94 HB2 ASN 15 HB2 ASN 15 -3.939 8.987 10.138 95 HB3 ASN 15 HB3 ASN 15 -4.908 7.515 10.119 96 HD21 ASN 15 HD21 ASN 15 -3.667 7.249 12.306 97 HD22 ASN 15 HD22 ASN 15 -2.166 6.461 12.229 98 H ARG 16 H ARG 16 -3.427 10.323 8.815 99 HA ARG 16 HA ARG 16 -1.970 11.955 8.080 100 HB2 ARG 16 HB2 ARG 16 0.088 9.793 8.551 101 HB3 ARG 16 HB3 ARG 16 0.299 11.538 8.708 102 HG2 ARG 16 HG2 ARG 16 -1.623 11.386 10.468 103 HG3 ARG 16 HG3 ARG 16 -1.254 9.661 10.490 104 HD2 ARG 16 HD2 ARG 16 1.147 10.264 10.953 105 HD3 ARG 16 HD3 ARG 16 0.638 11.939 11.123 106 HE ARG 16 HE ARG 16 -0.182 11.400 13.220 107 HH11 ARG 16 HH21 ARG 16 0.210 8.558 11.288 108 HH12 ARG 16 HH22 ARG 16 -0.180 7.462 12.573 109 HH21 ARG 16 HH11 ARG 16 -0.694 9.971 14.911 110 HH22 ARG 16 HH12 ARG 16 -0.691 8.263 14.623 111 H LYS 17 H LYS 17 0.737 10.752 6.930 112 HA LYS 17 HA LYS 17 -0.103 9.931 4.275 113 HB2 LYS 17 HB2 LYS 17 1.086 11.859 3.182 114 HB3 LYS 17 HB3 LYS 17 -0.419 12.289 3.995 115 HG2 LYS 17 HG2 LYS 17 0.853 13.019 5.975 116 HG3 LYS 17 HG3 LYS 17 2.361 12.600 5.166 117 HD2 LYS 17 HD2 LYS 17 0.357 14.599 4.075 118 HD3 LYS 17 HD3 LYS 17 1.766 15.050 5.031 119 HE2 LYS 17 HE2 LYS 17 2.630 15.279 2.883 120 HE3 LYS 17 HE3 LYS 17 3.054 13.598 3.198 121 HZ1 LYS 17 HZ1 LYS 17 1.587 12.867 1.696 122 HZ2 LYS 17 HZ2 LYS 17 1.641 14.450 1.081 123 HZ3 LYS 17 HZ3 LYS 17 0.396 13.989 2.142 124 H ILE 18 H ILE 18 1.457 8.849 3.201 125 HA ILE 18 HA ILE 18 3.798 8.076 4.624 126 HB ILE 18 HB ILE 18 2.624 7.506 1.920 127 HG12 ILE 18 HG12 ILE 18 1.976 6.353 4.134 128 HG13 ILE 18 HG13 ILE 18 2.323 5.322 2.754 129 HG21 ILE 18 HG21 ILE 18 4.934 7.606 1.313 130 HG22 ILE 18 HG22 ILE 18 4.546 5.900 1.523 131 HG23 ILE 18 HG23 ILE 18 5.426 6.761 2.779 132 HD11 ILE 18 HD11 ILE 18 4.171 4.420 3.731 133 HD12 ILE 18 HD12 ILE 18 3.430 4.989 5.222 134 HD13 ILE 18 HD13 ILE 18 4.678 5.942 4.447 135 HA PRO 19 HA PRO 19 6.344 11.535 3.266 136 HB2 PRO 19 HB2 PRO 19 8.845 10.269 3.354 137 HB3 PRO 19 HB3 PRO 19 8.043 11.040 4.735 138 HG2 PRO 19 HG2 PRO 19 8.120 8.160 3.961 139 HG3 PRO 19 HG3 PRO 19 8.223 8.891 5.569 140 HD2 PRO 19 HD2 PRO 19 5.972 7.759 4.745 141 HD3 PRO 19 HD3 PRO 19 5.917 9.240 5.712 142 H LEU 20 H LEU 20 6.946 12.274 1.284 143 HA LEU 20 HA LEU 20 6.578 10.602 -0.987 144 HB2 LEU 20 HB2 LEU 20 7.239 13.468 -0.504 145 HB3 LEU 20 HB3 LEU 20 7.650 12.819 -2.091 146 HG LEU 20 HG LEU 20 5.332 12.034 -2.376 147 HD11 LEU 20 HD11 LEU 20 4.622 11.578 -0.159 148 HD12 LEU 20 HD12 LEU 20 3.642 12.947 -0.682 149 HD13 LEU 20 HD13 LEU 20 5.022 13.207 0.387 150 HD21 LEU 20 HD21 LEU 20 5.263 14.926 -1.498 151 HD22 LEU 20 HD22 LEU 20 4.357 14.165 -2.808 152 HD23 LEU 20 HD23 LEU 20 6.098 14.413 -2.965 153 H GLN 21 H GLN 21 9.378 11.509 0.856 154 HA GLN 21 HA GLN 21 11.340 11.076 -1.148 155 HB2 GLN 21 HB2 GLN 21 12.870 10.778 0.902 156 HB3 GLN 21 HB3 GLN 21 12.051 12.327 0.708 157 HG2 GLN 21 HG2 GLN 21 10.363 11.721 2.318 158 HG3 GLN 21 HG3 GLN 21 10.954 10.061 2.387 159 HE21 GLN 21 HE21 GLN 21 11.557 13.356 3.487 160 HE22 GLN 21 HE22 GLN 21 12.812 12.959 4.559 161 H ARG 22 H ARG 22 9.947 8.904 1.305 162 HA ARG 22 HA ARG 22 11.655 6.698 0.462 163 HB2 ARG 22 HB2 ARG 22 9.425 6.909 2.494 164 HB3 ARG 22 HB3 ARG 22 10.356 5.440 2.202 165 HG2 ARG 22 HG2 ARG 22 12.248 6.262 3.240 166 HG3 ARG 22 HG3 ARG 22 11.980 7.907 2.670 167 HD2 ARG 22 HD2 ARG 22 10.526 8.421 4.427 168 HD3 ARG 22 HD3 ARG 22 10.142 6.731 4.743 169 HE ARG 22 HE ARG 22 12.302 8.213 5.886 170 HH11 ARG 22 HH21 ARG 22 11.351 5.111 4.686 171 HH12 ARG 22 HH22 ARG 22 12.457 4.231 5.686 172 HH21 ARG 22 HH11 ARG 22 13.756 7.067 7.201 173 HH22 ARG 22 HH12 ARG 22 13.820 5.338 7.110 174 H LEU 23 H LEU 23 8.564 7.953 -0.304 175 HA LEU 23 HA LEU 23 7.192 5.626 -1.094 176 HB2 LEU 23 HB2 LEU 23 5.922 7.581 -0.817 177 HB3 LEU 23 HB3 LEU 23 7.029 8.540 -1.772 178 HG LEU 23 HG LEU 23 4.798 8.050 -2.834 179 HD11 LEU 23 HD11 LEU 23 5.730 8.360 -4.852 180 HD12 LEU 23 HD12 LEU 23 6.645 6.856 -4.790 181 HD13 LEU 23 HD13 LEU 23 7.277 8.311 -4.027 182 HD21 LEU 23 HD21 LEU 23 4.098 5.954 -3.382 183 HD22 LEU 23 HD22 LEU 23 5.089 5.497 -2.009 184 HD23 LEU 23 HD23 LEU 23 5.714 5.335 -3.648 185 H GLU 24 H GLU 24 7.362 4.335 -2.819 186 HA GLU 24 HA GLU 24 9.333 5.015 -4.917 187 HB2 GLU 24 HB2 GLU 24 9.790 2.932 -3.767 188 HB3 GLU 24 HB3 GLU 24 8.145 2.371 -4.055 189 HG2 GLU 24 HG2 GLU 24 8.502 2.196 -6.402 190 HG3 GLU 24 HG3 GLU 24 9.999 3.124 -6.318 191 H SER 25 H SER 25 6.264 3.174 -4.712 192 HA SER 25 HA SER 25 5.130 4.692 -6.923 193 HB2 SER 25 HB2 SER 25 6.298 3.136 -8.268 194 HB3 SER 25 HB3 SER 25 5.938 1.800 -7.179 195 HG SER 25 HG SER 25 4.294 3.115 -9.038 196 H TYR 26 H TYR 26 2.912 3.576 -7.538 197 HA TYR 26 HA TYR 26 1.598 2.739 -5.013 198 HB2 TYR 26 HB2 TYR 26 -0.360 3.937 -5.643 199 HB3 TYR 26 HB3 TYR 26 0.997 5.039 -5.855 200 HD1 TYR 26 HD2 TYR 26 1.926 5.439 -8.150 201 HD2 TYR 26 HD1 TYR 26 -1.697 3.232 -7.495 202 HE1 TYR 26 HE2 TYR 26 1.318 5.753 -10.527 203 HE2 TYR 26 HE1 TYR 26 -2.306 3.529 -9.880 204 HH TYR 26 HH TYR 26 -1.589 4.220 -11.890 205 H ARG 27 H ARG 27 -0.372 1.425 -5.303 206 HA ARG 27 HA ARG 27 -0.680 -0.022 -7.808 207 HB2 ARG 27 HB2 ARG 27 1.167 -1.268 -6.895 208 HB3 ARG 27 HB3 ARG 27 0.412 -1.343 -5.310 209 HG2 ARG 27 HG2 ARG 27 0.195 -3.479 -6.562 210 HG3 ARG 27 HG3 ARG 27 -1.375 -2.775 -6.192 211 HD2 ARG 27 HD2 ARG 27 -1.724 -2.090 -8.409 212 HD3 ARG 27 HD3 ARG 27 -0.012 -2.156 -8.805 213 HE ARG 27 HE ARG 27 -1.874 -4.311 -9.005 214 HH11 ARG 27 HH21 ARG 27 1.386 -3.495 -8.177 215 HH12 ARG 27 HH22 ARG 27 2.027 -5.049 -8.597 216 HH21 ARG 27 HH11 ARG 27 -1.041 -6.350 -9.558 217 HH22 ARG 27 HH12 ARG 27 0.654 -6.664 -9.379 218 H ARG 28 H ARG 28 -2.759 -0.650 -8.052 219 HA ARG 28 HA ARG 28 -4.628 -0.103 -5.893 220 HB2 ARG 28 HB2 ARG 28 -4.787 0.332 -8.548 221 HB3 ARG 28 HB3 ARG 28 -5.573 -1.242 -8.488 222 HG2 ARG 28 HG2 ARG 28 -6.974 -0.232 -6.546 223 HG3 ARG 28 HG3 ARG 28 -6.392 1.328 -7.127 224 HD2 ARG 28 HD2 ARG 28 -7.851 -0.723 -8.819 225 HD3 ARG 28 HD3 ARG 28 -8.581 0.724 -8.131 226 HE ARG 28 HE ARG 28 -6.315 1.473 -9.642 227 HH11 ARG 28 HH21 ARG 28 -9.497 0.159 -9.990 228 HH12 ARG 28 HH22 ARG 28 -9.743 0.813 -11.574 229 HH21 ARG 28 HH11 ARG 28 -6.631 2.334 -11.720 230 HH22 ARG 28 HH12 ARG 28 -8.122 2.044 -12.554 231 H ILE 29 H ILE 29 -6.174 -1.565 -5.092 232 HA ILE 29 HA ILE 29 -5.400 -4.424 -5.297 233 HB ILE 29 HB ILE 29 -7.026 -4.018 -2.964 234 HG12 ILE 29 HG12 ILE 29 -4.749 -2.020 -3.153 235 HG13 ILE 29 HG13 ILE 29 -6.458 -1.612 -3.213 236 HG21 ILE 29 HG21 ILE 29 -4.070 -4.543 -3.375 237 HG22 ILE 29 HG22 ILE 29 -5.340 -5.721 -3.055 238 HG23 ILE 29 HG23 ILE 29 -4.847 -4.598 -1.791 239 HD11 ILE 29 HD11 ILE 29 -6.803 -2.383 -0.955 240 HD12 ILE 29 HD12 ILE 29 -5.402 -1.307 -0.941 241 HD13 ILE 29 HD13 ILE 29 -5.174 -3.054 -0.878 242 H THR 30 H THR 30 -6.746 -5.443 -6.617 243 HA THR 30 HA THR 30 -9.655 -5.087 -6.249 244 HB THR 30 HB THR 30 -10.086 -4.762 -8.527 245 HG1 THR 30 HG1 THR 30 -8.067 -4.955 -9.953 246 HG21 THR 30 HG21 THR 30 -8.886 -2.810 -9.116 247 HG22 THR 30 HG22 THR 30 -7.418 -3.369 -8.315 248 HG23 THR 30 HG23 THR 30 -8.803 -2.852 -7.355 249 H SER 31 H SER 31 -7.264 -6.930 -8.169 250 HA SER 31 HA SER 31 -8.757 -9.256 -8.495 251 HB2 SER 31 HB2 SER 31 -6.625 -8.833 -9.657 252 HB3 SER 31 HB3 SER 31 -5.759 -9.020 -8.135 253 HG SER 31 HG SER 31 -7.501 -11.011 -9.129 254 H GLY 32 H GLY 32 -6.744 -8.206 -5.795 255 HA2 GLY 32 HA2 GLY 32 -7.123 -10.690 -4.329 256 HA3 GLY 32 HA3 GLY 32 -6.251 -9.266 -3.774 257 H LYS 33 H LYS 33 -7.977 -10.607 -2.080 258 HA LYS 33 HA LYS 33 -10.555 -9.269 -2.059 259 HB2 LYS 33 HB2 LYS 33 -9.195 -11.272 -0.259 260 HB3 LYS 33 HB3 LYS 33 -10.708 -10.496 0.210 261 HG2 LYS 33 HG2 LYS 33 -11.032 -12.700 -0.948 262 HG3 LYS 33 HG3 LYS 33 -11.830 -11.354 -1.761 263 HD2 LYS 33 HD2 LYS 33 -10.182 -11.253 -3.462 264 HD3 LYS 33 HD3 LYS 33 -9.044 -12.231 -2.534 265 HE2 LYS 33 HE2 LYS 33 -11.673 -13.198 -3.699 266 HE3 LYS 33 HE3 LYS 33 -10.068 -13.569 -4.329 267 HZ1 LYS 33 HZ1 LYS 33 -9.998 -14.193 -1.643 268 HZ2 LYS 33 HZ2 LYS 33 -10.029 -15.281 -2.947 269 HZ3 LYS 33 HZ3 LYS 33 -11.478 -14.801 -2.203 270 H CYS 34 H CYS 34 -10.796 -7.268 -1.323 271 HA CYS 34 HA CYS 34 -9.563 -6.462 1.175 272 HB2 CYS 34 HB2 CYS 34 -8.342 -5.760 -1.305 273 HB3 CYS 34 HB3 CYS 34 -9.066 -4.287 -0.669 274 HA PRO 35 HA PRO 35 -13.280 -4.248 2.013 275 HB2 PRO 35 HB2 PRO 35 -11.609 -1.744 1.954 276 HB3 PRO 35 HB3 PRO 35 -12.839 -2.245 3.134 277 HG2 PRO 35 HG2 PRO 35 -10.244 -2.513 3.659 278 HG3 PRO 35 HG3 PRO 35 -11.420 -3.729 4.186 279 HD2 PRO 35 HD2 PRO 35 -9.372 -3.922 2.031 280 HD3 PRO 35 HD3 PRO 35 -10.152 -5.214 2.971 281 H GLN 36 H GLN 36 -11.418 -1.875 0.101 282 HA GLN 36 HA GLN 36 -13.212 -2.171 -2.182 283 HB2 GLN 36 HB2 GLN 36 -13.746 0.276 -2.176 284 HB3 GLN 36 HB3 GLN 36 -14.480 -0.611 -0.840 285 HG2 GLN 36 HG2 GLN 36 -12.676 0.116 0.660 286 HG3 GLN 36 HG3 GLN 36 -11.893 0.965 -0.671 287 HE21 GLN 36 HE21 GLN 36 -12.558 3.102 -1.053 288 HE22 GLN 36 HE22 GLN 36 -13.911 3.824 -0.326 289 H LYS 37 H LYS 37 -12.528 -0.773 -4.007 290 HA LYS 37 HA LYS 37 -9.881 -1.072 -4.690 291 HB2 LYS 37 HB2 LYS 37 -11.953 0.933 -5.582 292 HB3 LYS 37 HB3 LYS 37 -10.327 0.936 -6.267 293 HG2 LYS 37 HG2 LYS 37 -11.843 -0.409 -7.657 294 HG3 LYS 37 HG3 LYS 37 -10.605 -1.429 -6.928 295 HD2 LYS 37 HD2 LYS 37 -12.112 -2.318 -5.331 296 HD3 LYS 37 HD3 LYS 37 -13.296 -1.041 -5.615 297 HE2 LYS 37 HE2 LYS 37 -13.887 -1.927 -7.747 298 HE3 LYS 37 HE3 LYS 37 -12.485 -2.996 -7.773 299 HZ1 LYS 37 HZ1 LYS 37 -14.807 -3.911 -7.113 300 HZ2 LYS 37 HZ2 LYS 37 -14.439 -3.243 -5.595 301 HZ3 LYS 37 HZ3 LYS 37 -13.426 -4.427 -6.275 302 H ALA 38 H ALA 38 -8.004 -0.045 -4.251 303 HA ALA 38 HA ALA 38 -7.896 2.677 -3.344 304 HB1 ALA 38 HB1 ALA 38 -6.887 0.732 -1.289 305 HB2 ALA 38 HB2 ALA 38 -8.603 1.130 -1.323 306 HB3 ALA 38 HB3 ALA 38 -7.410 2.404 -1.082 307 H VAL 39 H VAL 39 -5.828 3.526 -3.539 308 HA VAL 39 HA VAL 39 -3.920 1.874 -4.955 309 HB VAL 39 HB VAL 39 -2.674 3.893 -5.283 310 HG11 VAL 39 HG11 VAL 39 -4.954 3.514 -6.443 311 HG12 VAL 39 HG12 VAL 39 -4.274 5.136 -6.496 312 HG13 VAL 39 HG13 VAL 39 -5.564 4.762 -5.355 313 HG21 VAL 39 HG21 VAL 39 -3.486 6.016 -4.168 314 HG22 VAL 39 HG22 VAL 39 -2.711 4.862 -3.084 315 HG23 VAL 39 HG23 VAL 39 -4.471 5.000 -3.115 316 H ILE 40 H ILE 40 -1.896 1.244 -4.254 317 HA ILE 40 HA ILE 40 -1.464 1.351 -1.322 318 HB ILE 40 HB ILE 40 -0.720 -0.714 -3.396 319 HG12 ILE 40 HG12 ILE 40 -2.388 -1.040 -0.904 320 HG13 ILE 40 HG13 ILE 40 -3.094 -0.560 -2.446 321 HG21 ILE 40 HG21 ILE 40 0.033 -0.536 -0.476 322 HG22 ILE 40 HG22 ILE 40 1.120 -0.647 -1.858 323 HG23 ILE 40 HG23 ILE 40 0.116 -2.024 -1.413 324 HD11 ILE 40 HD11 ILE 40 -2.502 -2.598 -3.490 325 HD12 ILE 40 HD12 ILE 40 -3.055 -3.083 -1.886 326 HD13 ILE 40 HD13 ILE 40 -1.330 -3.000 -2.233 327 H PHE 41 H PHE 41 -0.029 3.031 -1.001 328 HA PHE 41 HA PHE 41 2.187 3.474 -2.815 329 HB2 PHE 41 HB2 PHE 41 1.677 4.677 -0.083 330 HB3 PHE 41 HB3 PHE 41 2.856 5.235 -1.266 331 HD1 PHE 41 HD2 PHE 41 1.849 5.701 -3.706 332 HD2 PHE 41 HD1 PHE 41 -0.418 5.701 -0.060 333 HE1 PHE 41 HE2 PHE 41 0.126 7.117 -4.781 334 HE2 PHE 41 HE1 PHE 41 -2.127 7.115 -1.130 335 HZ PHE 41 HZ PHE 41 -1.864 7.828 -3.495 336 H LYS 42 H LYS 42 3.992 2.301 -2.774 337 HA LYS 42 HA LYS 42 4.703 0.826 -0.313 338 HB2 LYS 42 HB2 LYS 42 6.322 -0.330 -1.962 339 HB3 LYS 42 HB3 LYS 42 4.600 -0.673 -2.125 340 HG2 LYS 42 HG2 LYS 42 4.376 0.797 -3.985 341 HG3 LYS 42 HG3 LYS 42 5.955 1.528 -3.692 342 HD2 LYS 42 HD2 LYS 42 5.938 -0.123 -5.593 343 HD3 LYS 42 HD3 LYS 42 7.090 -0.517 -4.318 344 HE2 LYS 42 HE2 LYS 42 4.296 -1.658 -4.272 345 HE3 LYS 42 HE3 LYS 42 5.570 -2.422 -5.223 346 HZ1 LYS 42 HZ1 LYS 42 6.771 -1.963 -2.844 347 HZ2 LYS 42 HZ2 LYS 42 6.097 -3.444 -3.332 348 HZ3 LYS 42 HZ3 LYS 42 5.192 -2.369 -2.375 349 H THR 43 H THR 43 6.770 0.939 0.554 350 HA THR 43 HA THR 43 8.700 2.830 -0.551 351 HB THR 43 HB THR 43 8.026 4.538 0.795 352 HG1 THR 43 HG1 THR 43 9.777 3.636 2.007 353 HG21 THR 43 HG21 THR 43 5.814 3.716 1.137 354 HG22 THR 43 HG22 THR 43 6.427 4.123 2.742 355 HG23 THR 43 HG23 THR 43 6.380 2.440 2.218 356 H LYS 44 H LYS 44 10.661 2.910 1.036 357 HA LYS 44 HA LYS 44 11.477 0.159 1.417 358 HB2 LYS 44 HB2 LYS 44 12.911 2.788 1.843 359 HB3 LYS 44 HB3 LYS 44 13.658 1.206 2.061 360 HG2 LYS 44 HG2 LYS 44 13.397 0.648 -0.240 361 HG3 LYS 44 HG3 LYS 44 12.279 1.986 -0.513 362 HD2 LYS 44 HD2 LYS 44 14.577 2.451 -1.383 363 HD3 LYS 44 HD3 LYS 44 14.060 3.608 -0.157 364 HE2 LYS 44 HE2 LYS 44 16.442 2.611 0.060 365 HE3 LYS 44 HE3 LYS 44 15.432 2.644 1.504 366 HZ1 LYS 44 HZ1 LYS 44 15.205 0.419 1.509 367 HZ2 LYS 44 HZ2 LYS 44 16.659 0.461 0.630 368 HZ3 LYS 44 HZ3 LYS 44 15.176 0.292 -0.182 369 H LEU 45 H LEU 45 9.355 1.131 3.195 370 HA LEU 45 HA LEU 45 10.569 1.546 5.777 371 HB2 LEU 45 HB2 LEU 45 7.845 1.520 4.657 372 HB3 LEU 45 HB3 LEU 45 7.915 0.797 6.256 373 HG LEU 45 HG LEU 45 7.423 3.167 6.455 374 HD11 LEU 45 HD11 LEU 45 8.819 3.580 8.215 375 HD12 LEU 45 HD12 LEU 45 10.282 3.224 7.306 376 HD13 LEU 45 HD13 LEU 45 9.294 1.906 7.943 377 HD21 LEU 45 HD21 LEU 45 9.806 3.462 4.640 378 HD22 LEU 45 HD22 LEU 45 9.374 4.770 5.738 379 HD23 LEU 45 HD23 LEU 45 8.216 4.214 4.534 380 H ALA 46 H ALA 46 8.100 -0.907 5.194 381 HA ALA 46 HA ALA 46 9.847 -3.140 5.560 382 HB1 ALA 46 HB1 ALA 46 9.955 -2.386 7.850 383 HB2 ALA 46 HB2 ALA 46 8.932 -3.821 7.790 384 HB3 ALA 46 HB3 ALA 46 8.200 -2.223 7.925 385 H LYS 47 H LYS 47 6.841 -1.712 4.942 386 HA LYS 47 HA LYS 47 5.801 -4.192 3.886 387 HB2 LYS 47 HB2 LYS 47 3.591 -3.781 5.260 388 HB3 LYS 47 HB3 LYS 47 4.925 -4.674 5.988 389 HG2 LYS 47 HG2 LYS 47 4.008 -2.934 7.513 390 HG3 LYS 47 HG3 LYS 47 5.707 -2.663 7.129 391 HD2 LYS 47 HD2 LYS 47 5.205 -0.898 5.626 392 HD3 LYS 47 HD3 LYS 47 3.503 -1.353 5.532 393 HE2 LYS 47 HE2 LYS 47 4.755 -0.488 8.139 394 HE3 LYS 47 HE3 LYS 47 4.101 0.686 6.998 395 HZ1 LYS 47 HZ1 LYS 47 2.000 -0.616 7.047 396 HZ2 LYS 47 HZ2 LYS 47 2.393 0.125 8.525 397 HZ3 LYS 47 HZ3 LYS 47 2.649 -1.541 8.312 398 H ASP 48 H ASP 48 3.403 -3.742 3.143 399 HA ASP 48 HA ASP 48 3.543 -1.374 1.450 400 HB2 ASP 48 HB2 ASP 48 1.667 -3.735 1.595 401 HB3 ASP 48 HB3 ASP 48 1.391 -2.367 0.519 402 H ILE 49 H ILE 49 1.939 0.233 1.350 403 HA ILE 49 HA ILE 49 0.219 0.483 3.762 404 HB ILE 49 HB ILE 49 1.567 2.713 2.217 405 HG12 ILE 49 HG12 ILE 49 2.683 2.881 4.660 406 HG13 ILE 49 HG13 ILE 49 2.345 1.157 4.682 407 HG21 ILE 49 HG21 ILE 49 -0.537 3.406 3.197 408 HG22 ILE 49 HG22 ILE 49 0.776 4.065 4.174 409 HG23 ILE 49 HG23 ILE 49 -0.116 2.650 4.735 410 HD11 ILE 49 HD11 ILE 49 3.712 0.782 2.740 411 HD12 ILE 49 HD12 ILE 49 4.643 1.812 3.821 412 HD13 ILE 49 HD13 ILE 49 3.842 2.510 2.417 413 H CYS 50 H CYS 50 -1.898 0.803 3.381 414 HA CYS 50 HA CYS 50 -2.795 1.042 0.578 415 HB2 CYS 50 HB2 CYS 50 -4.140 0.160 3.125 416 HB3 CYS 50 HB3 CYS 50 -5.016 0.395 1.612 417 H ALA 51 H ALA 51 -4.573 2.439 0.050 418 HA ALA 51 HA ALA 51 -5.571 4.424 1.817 419 HB1 ALA 51 HB1 ALA 51 -3.782 5.685 -0.234 420 HB2 ALA 51 HB2 ALA 51 -3.058 5.064 1.246 421 HB3 ALA 51 HB3 ALA 51 -4.308 6.299 1.333 422 H ASP 52 H ASP 52 -7.357 5.413 0.937 423 HA ASP 52 HA ASP 52 -8.178 4.499 -1.712 424 HB2 ASP 52 HB2 ASP 52 -9.546 5.699 0.667 425 HB3 ASP 52 HB3 ASP 52 -10.337 5.814 -0.902 426 HA PRO 53 HA PRO 53 -7.253 8.421 -3.649 427 HB2 PRO 53 HB2 PRO 53 -8.870 8.274 -5.845 428 HB3 PRO 53 HB3 PRO 53 -7.404 7.289 -5.668 429 HG2 PRO 53 HG2 PRO 53 -10.253 6.536 -5.155 430 HG3 PRO 53 HG3 PRO 53 -8.983 5.624 -5.995 431 HD2 PRO 53 HD2 PRO 53 -9.659 5.106 -3.411 432 HD3 PRO 53 HD3 PRO 53 -7.997 4.905 -4.014 433 H LYS 54 H LYS 54 -8.429 9.305 -1.647 434 HA LYS 54 HA LYS 54 -10.537 11.108 -2.576 435 HB2 LYS 54 HB2 LYS 54 -10.893 9.417 -0.086 436 HB3 LYS 54 HB3 LYS 54 -12.024 10.613 -0.720 437 HG2 LYS 54 HG2 LYS 54 -12.136 9.233 -2.843 438 HG3 LYS 54 HG3 LYS 54 -11.228 7.983 -1.992 439 HD2 LYS 54 HD2 LYS 54 -12.973 7.803 -0.302 440 HD3 LYS 54 HD3 LYS 54 -13.861 9.140 -1.035 441 HE2 LYS 54 HE2 LYS 54 -13.175 6.645 -2.596 442 HE3 LYS 54 HE3 LYS 54 -14.648 6.764 -1.634 443 HZ1 LYS 54 HZ1 LYS 54 -13.842 8.403 -3.959 444 HZ2 LYS 54 HZ2 LYS 54 -15.057 8.909 -2.885 445 HZ3 LYS 54 HZ3 LYS 54 -15.244 7.469 -3.766 446 H LYS 55 H LYS 55 -8.284 10.056 -0.105 447 HA LYS 55 HA LYS 55 -8.370 12.550 1.346 448 HB2 LYS 55 HB2 LYS 55 -5.965 11.024 1.915 449 HB3 LYS 55 HB3 LYS 55 -7.349 11.319 2.958 450 HG2 LYS 55 HG2 LYS 55 -8.556 9.439 1.889 451 HG3 LYS 55 HG3 LYS 55 -7.166 9.139 0.860 452 HD2 LYS 55 HD2 LYS 55 -7.135 7.599 2.762 453 HD3 LYS 55 HD3 LYS 55 -5.769 8.709 2.855 454 HE2 LYS 55 HE2 LYS 55 -7.266 8.253 4.992 455 HE3 LYS 55 HE3 LYS 55 -6.662 9.875 4.664 456 HZ1 LYS 55 HZ1 LYS 55 -8.709 10.582 3.921 457 HZ2 LYS 55 HZ2 LYS 55 -9.147 9.532 5.182 458 HZ3 LYS 55 HZ3 LYS 55 -9.255 9.016 3.567 459 H LYS 56 H LYS 56 -6.982 14.250 1.180 460 HA LYS 56 HA LYS 56 -5.959 15.007 -1.225 461 HB2 LYS 56 HB2 LYS 56 -6.258 16.399 0.880 462 HB3 LYS 56 HB3 LYS 56 -4.661 15.833 1.367 463 HG2 LYS 56 HG2 LYS 56 -3.841 16.645 -0.923 464 HG3 LYS 56 HG3 LYS 56 -5.388 17.482 -1.060 465 HD2 LYS 56 HD2 LYS 56 -3.439 17.835 1.238 466 HD3 LYS 56 HD3 LYS 56 -3.587 18.940 -0.128 467 HE2 LYS 56 HE2 LYS 56 -6.085 19.094 0.494 468 HE3 LYS 56 HE3 LYS 56 -5.622 18.346 2.022 469 HZ1 LYS 56 HZ1 LYS 56 -5.314 21.029 1.197 470 HZ2 LYS 56 HZ2 LYS 56 -3.790 20.363 1.543 471 HZ3 LYS 56 HZ3 LYS 56 -5.016 20.342 2.718 472 H TRP 57 H TRP 57 -3.858 13.730 1.413 473 HA TRP 57 HA TRP 57 -1.508 13.790 -0.075 474 HB2 TRP 57 HB2 TRP 57 -0.512 12.441 1.573 475 HB3 TRP 57 HB3 TRP 57 -1.744 13.375 2.410 476 HD1 TRP 57 HD1 TRP 57 -3.989 12.090 3.130 477 HE1 TRP 57 HE1 TRP 57 -4.407 9.602 3.650 478 HE3 TRP 57 HE3 TRP 57 0.140 10.004 0.927 479 HZ2 TRP 57 HZ2 TRP 57 -3.162 7.070 3.204 480 HZ3 TRP 57 HZ3 TRP 57 0.488 7.556 0.990 481 HH2 TRP 57 HH2 TRP 57 -1.155 6.087 2.127 482 H VAL 58 H VAL 58 -4.091 11.431 -0.213 483 HA VAL 58 HA VAL 58 -2.551 9.392 -1.491 484 HB VAL 58 HB VAL 58 -5.533 9.920 -1.517 485 HG11 VAL 58 HG11 VAL 58 -5.653 7.509 -2.223 486 HG12 VAL 58 HG12 VAL 58 -3.919 7.546 -2.473 487 HG13 VAL 58 HG13 VAL 58 -4.962 8.564 -3.450 488 HG21 VAL 58 HG21 VAL 58 -4.857 9.408 0.703 489 HG22 VAL 58 HG22 VAL 58 -3.692 8.211 0.162 490 HG23 VAL 58 HG23 VAL 58 -5.417 7.874 0.042 491 H GLN 59 H GLN 59 -4.878 11.772 -2.772 492 HA GLN 59 HA GLN 59 -4.395 11.162 -5.488 493 HB2 GLN 59 HB2 GLN 59 -5.247 13.922 -4.674 494 HB3 GLN 59 HB3 GLN 59 -5.849 12.899 -5.978 495 HG2 GLN 59 HG2 GLN 59 -6.661 11.350 -3.995 496 HG3 GLN 59 HG3 GLN 59 -6.518 12.824 -3.044 497 HE21 GLN 59 HE21 GLN 59 -8.208 14.338 -3.210 498 HE22 GLN 59 HE22 GLN 59 -9.479 14.220 -4.329 499 H ASP 60 H ASP 60 -2.833 13.362 -3.239 500 HA ASP 60 HA ASP 60 -1.321 14.759 -5.238 501 HB2 ASP 60 HB2 ASP 60 -1.948 15.590 -2.900 502 HB3 ASP 60 HB3 ASP 60 -0.633 14.578 -2.310 503 H SER 61 H SER 61 -0.833 11.848 -3.358 504 HA SER 61 HA SER 61 1.996 11.706 -3.659 505 HB2 SER 61 HB2 SER 61 1.269 10.301 -1.971 506 HB3 SER 61 HB3 SER 61 -0.167 9.802 -2.862 507 HG SER 61 HG SER 61 2.314 8.704 -2.796 508 H MET 62 H MET 62 -0.654 10.058 -5.434 509 HA MET 62 HA MET 62 1.084 8.786 -7.287 510 HB2 MET 62 HB2 MET 62 -1.095 8.648 -8.688 511 HB3 MET 62 HB3 MET 62 -1.046 7.812 -7.136 512 HG2 MET 62 HG2 MET 62 -2.403 9.400 -6.090 513 HG3 MET 62 HG3 MET 62 -2.033 10.653 -7.268 514 HE1 MET 62 HE1 MET 62 -4.881 7.123 -7.551 515 HE2 MET 62 HE2 MET 62 -4.829 8.223 -6.176 516 HE3 MET 62 HE3 MET 62 -3.398 7.285 -6.597 517 H LYS 63 H LYS 63 -0.680 11.859 -7.348 518 HA LYS 63 HA LYS 63 -0.221 12.578 -10.010 519 HB2 LYS 63 HB2 LYS 63 -1.731 13.873 -8.635 520 HB3 LYS 63 HB3 LYS 63 -0.434 14.287 -7.517 521 HG2 LYS 63 HG2 LYS 63 -1.003 16.129 -9.124 522 HG3 LYS 63 HG3 LYS 63 0.681 15.623 -9.211 523 HD2 LYS 63 HD2 LYS 63 0.358 14.469 -11.246 524 HD3 LYS 63 HD3 LYS 63 -1.391 14.395 -11.032 525 HE2 LYS 63 HE2 LYS 63 0.225 16.909 -11.556 526 HE3 LYS 63 HE3 LYS 63 -0.793 16.075 -12.730 527 HZ1 LYS 63 HZ1 LYS 63 -2.525 17.191 -11.964 528 HZ2 LYS 63 HZ2 LYS 63 -1.547 17.981 -10.822 529 HZ3 LYS 63 HZ3 LYS 63 -2.308 16.514 -10.425 530 H TYR 64 H TYR 64 1.750 13.081 -7.112 531 HA TYR 64 HA TYR 64 3.839 14.523 -8.343 532 HB2 TYR 64 HB2 TYR 64 4.150 14.703 -6.085 533 HB3 TYR 64 HB3 TYR 64 3.315 13.189 -5.771 534 HD1 TYR 64 HD1 TYR 64 6.471 14.139 -7.588 535 HD2 TYR 64 HD2 TYR 64 4.639 11.693 -4.568 536 HE1 TYR 64 HE1 TYR 64 8.652 13.040 -7.152 537 HE2 TYR 64 HE2 TYR 64 6.818 10.603 -4.128 538 HH TYR 64 HH TYR 64 9.606 11.720 -4.804 539 H LEU 65 H LEU 65 3.149 11.087 -8.070 540 HA LEU 65 HA LEU 65 5.695 10.222 -9.074 541 HB2 LEU 65 HB2 LEU 65 3.042 8.882 -8.577 542 HB3 LEU 65 HB3 LEU 65 4.312 8.033 -9.452 543 HG LEU 65 HG LEU 65 5.010 9.374 -6.846 544 HD11 LEU 65 HD11 LEU 65 4.486 6.807 -6.012 545 HD12 LEU 65 HD12 LEU 65 3.155 7.080 -7.128 546 HD13 LEU 65 HD13 LEU 65 3.403 8.177 -5.775 547 HD21 LEU 65 HD21 LEU 65 5.978 6.682 -7.772 548 HD22 LEU 65 HD22 LEU 65 6.834 7.922 -6.864 549 HD23 LEU 65 HD23 LEU 65 6.580 8.119 -8.593 550 H ASP 66 H ASP 66 2.818 11.435 -10.467 551 HA ASP 66 HA ASP 66 3.018 10.188 -13.025 552 HB2 ASP 66 HB2 ASP 66 1.001 11.376 -11.929 553 HB3 ASP 66 HB3 ASP 66 1.732 12.865 -12.517 554 H GLN 67 H GLN 67 4.354 13.090 -11.577 555 HA GLN 67 HA GLN 67 5.221 14.373 -13.938 556 HB2 GLN 67 HB2 GLN 67 6.416 14.488 -11.160 557 HB3 GLN 67 HB3 GLN 67 6.709 15.644 -12.462 558 HG2 GLN 67 HG2 GLN 67 3.941 15.024 -11.409 559 HG3 GLN 67 HG3 GLN 67 4.934 16.334 -10.775 560 HE21 GLN 67 HE21 GLN 67 2.812 15.416 -13.358 561 HE22 GLN 67 HE22 GLN 67 2.985 16.830 -14.280 562 H LYS 68 H LYS 68 7.038 12.316 -11.645 563 HA LYS 68 HA LYS 68 9.339 12.208 -13.369 564 HB2 LYS 68 HB2 LYS 68 10.184 10.550 -11.728 565 HB3 LYS 68 HB3 LYS 68 9.636 12.044 -10.967 566 HG2 LYS 68 HG2 LYS 68 7.403 10.915 -10.573 567 HG3 LYS 68 HG3 LYS 68 8.141 9.411 -11.119 568 HD2 LYS 68 HD2 LYS 68 9.401 11.035 -8.902 569 HD3 LYS 68 HD3 LYS 68 8.101 9.897 -8.565 570 HE2 LYS 68 HE2 LYS 68 9.434 8.100 -9.674 571 HE3 LYS 68 HE3 LYS 68 10.756 9.248 -9.878 572 HZ1 LYS 68 HZ1 LYS 68 9.564 8.370 -7.305 573 HZ2 LYS 68 HZ2 LYS 68 10.765 9.562 -7.459 574 HZ3 LYS 68 HZ3 LYS 68 11.098 7.955 -7.898 575 H SER 69 H SER 69 6.540 10.166 -12.762 576 HA SER 69 HA SER 69 5.749 8.299 -13.849 577 HB2 SER 69 HB2 SER 69 7.633 9.041 -16.082 578 HB3 SER 69 HB3 SER 69 6.110 8.165 -16.193 579 HG SER 69 HG SER 69 5.021 10.030 -15.671 580 HA PRO 70 HA PRO 70 9.503 5.807 -12.892 581 HB2 PRO 70 HB2 PRO 70 8.512 4.309 -10.884 582 HB3 PRO 70 HB3 PRO 70 8.996 5.997 -10.623 583 HG2 PRO 70 HG2 PRO 70 6.265 4.847 -10.968 584 HG3 PRO 70 HG3 PRO 70 6.816 6.136 -9.884 585 HD2 PRO 70 HD2 PRO 70 5.544 6.552 -12.347 586 HD3 PRO 70 HD3 PRO 70 6.516 7.767 -11.489 587 H THR 71 H THR 71 6.303 5.053 -13.885 588 HA THR 71 HA THR 71 7.184 2.771 -15.395 589 HB THR 71 HB THR 71 5.126 2.229 -13.252 590 HG1 THR 71 HG1 THR 71 7.066 2.547 -12.222 591 HG21 THR 71 HG21 THR 71 6.721 0.470 -15.134 592 HG22 THR 71 HG22 THR 71 4.990 0.799 -15.225 593 HG23 THR 71 HG23 THR 71 5.643 -0.125 -13.872 594 HA PRO 72 HA PRO 72 3.348 5.017 -16.832 595 HB2 PRO 72 HB2 PRO 72 4.364 6.232 -19.034 596 HB3 PRO 72 HB3 PRO 72 4.529 6.935 -17.413 597 HG2 PRO 72 HG2 PRO 72 6.526 5.392 -19.013 598 HG3 PRO 72 HG3 PRO 72 6.761 6.841 -18.019 599 HD2 PRO 72 HD2 PRO 72 7.362 4.283 -17.155 600 HD3 PRO 72 HD3 PRO 72 6.955 5.621 -16.057 601 H LYS 73 H LYS 73 1.974 4.307 -18.483 602 HA LYS 73 HA LYS 73 1.125 2.801 -19.998 603 HB2 LYS 73 HB2 LYS 73 3.903 2.912 -21.194 604 HB3 LYS 73 HB3 LYS 73 2.404 2.478 -22.018 605 HG2 LYS 73 HG2 LYS 73 1.552 4.811 -21.356 606 HG3 LYS 73 HG3 LYS 73 3.230 5.185 -20.960 607 HD2 LYS 73 HD2 LYS 73 2.285 4.159 -23.654 608 HD3 LYS 73 HD3 LYS 73 2.627 5.851 -23.288 609 HE2 LYS 73 HE2 LYS 73 4.956 5.046 -22.545 610 HE3 LYS 73 HE3 LYS 73 4.560 3.530 -23.357 611 HZ1 LYS 73 HZ1 LYS 73 5.755 5.335 -24.688 612 HZ2 LYS 73 HZ2 LYS 73 4.250 6.123 -24.734 613 HZ3 LYS 73 HZ3 LYS 73 4.422 4.572 -25.409 614 HA PRO 74 HA PRO 74 3.461 -0.704 -17.927 615 HB2 PRO 74 HB2 PRO 74 1.597 -1.416 -16.076 616 HB3 PRO 74 HB3 PRO 74 2.778 -0.121 -15.781 617 HG2 PRO 74 HG2 PRO 74 -0.087 0.089 -16.614 618 HG3 PRO 74 HG3 PRO 74 0.810 1.046 -15.419 619 HD2 PRO 74 HD2 PRO 74 0.319 1.927 -17.979 620 HD3 PRO 74 HD3 PRO 74 1.734 2.438 -17.033 621 H1 VAL 208 H1 VAL 208 -11.505 5.329 7.190 622 H2 VAL 208 H2 VAL 208 -11.127 4.520 8.635 623 H3 VAL 208 H3 VAL 208 -10.289 5.934 8.206 624 HA VAL 208 HA VAL 208 -13.130 6.314 8.320 625 HB VAL 208 HB VAL 208 -13.170 6.272 10.829 626 HG11 VAL 208 HG11 VAL 208 -14.073 4.408 9.417 627 HG12 VAL 208 HG12 VAL 208 -13.507 3.869 10.998 628 HG13 VAL 208 HG13 VAL 208 -12.516 3.595 9.565 629 HG21 VAL 208 HG21 VAL 208 -10.573 4.741 10.465 630 HG22 VAL 208 HG22 VAL 208 -11.419 4.994 11.992 631 HG23 VAL 208 HG23 VAL 208 -10.707 6.365 11.142 632 H GLU 209 H GLU 209 -13.181 8.113 10.359 633 HA GLU 209 HA GLU 209 -11.825 10.352 9.259 634 HB2 GLU 209 HB2 GLU 209 -13.257 9.971 11.897 635 HB3 GLU 209 HB3 GLU 209 -12.653 11.525 11.320 636 HG2 GLU 209 HG2 GLU 209 -14.051 11.331 9.303 637 HG3 GLU 209 HG3 GLU 209 -14.644 9.766 9.857 638 H THR 210 H THR 210 -10.780 11.822 11.241 639 HA THR 210 HA THR 210 -8.860 12.215 12.429 640 HB THR 210 HB THR 210 -8.280 10.700 14.125 641 HG1 THR 210 HG1 THR 210 -8.440 8.945 12.187 642 HG21 THR 210 HG21 THR 210 -11.089 9.781 13.522 643 HG22 THR 210 HG22 THR 210 -10.754 11.435 14.035 644 HG23 THR 210 HG23 THR 210 -10.347 10.083 15.091 645 H PHE 211 H PHE 211 -8.991 10.280 9.771 646 HA PHE 211 HA PHE 211 -6.206 9.431 9.727 647 HB2 PHE 211 HB2 PHE 211 -8.593 9.120 7.939 648 HB3 PHE 211 HB3 PHE 211 -6.998 8.950 7.214 649 HD1 PHE 211 HD1 PHE 211 -7.811 8.028 10.735 650 HD2 PHE 211 HD2 PHE 211 -7.093 6.599 6.741 651 HE1 PHE 211 HE1 PHE 211 -7.645 5.713 11.590 652 HE2 PHE 211 HE2 PHE 211 -6.928 4.283 7.606 653 HZ PHE 211 HZ PHE 211 -7.205 3.839 10.028 654 H GLY 212 H GLY 212 -5.387 11.638 10.066 655 HA2 GLY 212 HA2 GLY 212 -4.159 12.769 7.916 656 HA3 GLY 212 HA3 GLY 212 -5.711 13.598 7.972 657 H THR 213 H THR 213 -2.642 14.057 8.777 658 HA THR 213 HA THR 213 -3.280 16.019 10.801 659 HB THR 213 HB THR 213 -1.295 13.882 11.577 660 HG1 THR 213 HG1 THR 213 -2.871 12.793 12.502 661 HG21 THR 213 HG21 THR 213 -1.384 14.895 13.719 662 HG22 THR 213 HG22 THR 213 -2.856 15.783 13.326 663 HG23 THR 213 HG23 THR 213 -1.323 16.250 12.592 664 H THR 214 H THR 214 -0.261 14.250 10.140 665 HA THR 214 HA THR 214 0.784 16.353 8.468 666 HB THR 214 HB THR 214 1.114 17.488 10.550 667 HG1 THR 214 HG1 THR 214 3.596 16.897 10.691 668 HG21 THR 214 HG21 THR 214 2.215 16.453 12.463 669 HG22 THR 214 HG22 THR 214 2.437 14.955 11.561 670 HG23 THR 214 HG23 THR 214 0.815 15.489 11.997 671 H SER 215 H SER 215 3.471 15.375 9.911 672 HA SER 215 HA SER 215 4.369 13.697 7.889 673 HB2 SER 215 HB2 SER 215 6.095 12.959 9.621 674 HB3 SER 215 HB3 SER 215 5.993 14.690 9.308 675 HG SER 215 HG SER 215 4.858 13.225 11.459 676 H TYS 216 H TYS 216 5.412 11.411 8.911 677 HA TYS 216 HA TYS 216 3.309 9.846 10.182 678 HB2 TYS 216 HB2 TYS 216 2.623 9.766 7.850 679 HB3 TYS 216 HB1 TYS 216 4.245 9.276 7.360 680 HD1 TYS 216 HD1 TYS 216 4.576 6.994 7.002 681 HD2 TYS 216 HD2 TYS 216 1.627 8.254 9.858 682 HE1 TYS 216 HE1 TYS 216 3.975 4.623 7.442 683 HE2 TYS 216 HE2 TYS 216 1.028 5.890 10.291 684 H TYS 217 H TYS 217 6.429 10.651 9.862 685 HA TYS 217 HA TYS 217 7.336 8.359 11.364 686 HB2 TYS 217 HB2 TYS 217 8.316 8.876 8.557 687 HB3 TYS 217 HB1 TYS 217 9.360 8.104 9.744 688 HD1 TYS 217 HD1 TYS 217 7.990 6.182 11.189 689 HD2 TYS 217 HD2 TYS 217 7.181 7.404 7.143 690 HE1 TYS 217 HE1 TYS 217 6.894 4.008 10.747 691 HE2 TYS 217 HE2 TYS 217 6.095 5.222 6.705 692 H ASP 218 H ASP 218 6.995 11.076 11.974 693 HA ASP 218 HA ASP 218 9.444 12.534 11.737 694 HB2 ASP 218 HB2 ASP 218 7.278 13.651 12.082 695 HB3 ASP 218 HB3 ASP 218 7.146 12.902 13.673 696 H ASP 219 H ASP 219 10.095 10.000 12.628 697 HA ASP 219 HA ASP 219 11.530 10.631 15.049 698 HB2 ASP 219 HB2 ASP 219 9.317 8.577 15.062 699 HB3 ASP 219 HB3 ASP 219 10.626 8.575 16.242 700 H VAL 220 H VAL 220 10.689 8.488 12.442 701 HA VAL 220 HA VAL 220 11.861 6.849 11.339 702 HB VAL 220 HB VAL 220 14.333 8.021 12.617 703 HG11 VAL 220 HG11 VAL 220 14.663 6.008 11.267 704 HG12 VAL 220 HG12 VAL 220 15.300 7.407 10.401 705 HG13 VAL 220 HG13 VAL 220 13.742 6.718 9.941 706 HG21 VAL 220 HG21 VAL 220 12.595 9.087 10.379 707 HG22 VAL 220 HG22 VAL 220 14.294 9.534 10.547 708 HG23 VAL 220 HG23 VAL 220 13.145 9.936 11.823 709 H GLY 221 H GLY 221 13.031 4.844 11.635 710 HA2 GLY 221 HA2 GLY 221 13.760 2.999 12.832 711 HA3 GLY 221 HA3 GLY 221 13.897 4.029 14.256 712 H LEU 222 H LEU 222 11.139 4.982 14.048 713 HA LEU 222 HA LEU 222 9.812 3.335 15.792 714 HB2 LEU 222 HB2 LEU 222 8.955 5.515 15.365 715 HB3 LEU 222 HB3 LEU 222 8.748 5.184 13.650 716 HG LEU 222 HG LEU 222 7.266 3.328 15.464 717 HD11 LEU 222 HD11 LEU 222 6.981 5.463 16.675 718 HD12 LEU 222 HD12 LEU 222 5.471 4.936 15.933 719 HD13 LEU 222 HD13 LEU 222 6.415 6.226 15.188 720 HD21 LEU 222 HD21 LEU 222 6.509 4.953 13.007 721 HD22 LEU 222 HD22 LEU 222 5.463 3.772 13.794 722 HD23 LEU 222 HD23 LEU 222 6.959 3.249 13.027 723 H LEU 223 H LEU 223 10.154 2.994 12.335 724 HA LEU 223 HA LEU 223 8.120 1.283 11.643 725 HB2 LEU 223 HB2 LEU 223 9.479 0.541 9.845 726 HB3 LEU 223 HB3 LEU 223 9.967 2.201 10.171 727 HG LEU 223 HG LEU 223 11.682 0.820 11.846 728 HD11 LEU 223 HD11 LEU 223 12.635 -1.033 10.476 729 HD12 LEU 223 HD12 LEU 223 11.287 -0.867 9.352 730 HD13 LEU 223 HD13 LEU 223 10.991 -1.377 11.012 731 HD21 LEU 223 HD21 LEU 223 12.305 2.611 10.259 732 HD22 LEU 223 HD22 LEU 223 12.158 1.475 8.918 733 HD23 LEU 223 HD23 LEU 223 13.411 1.243 10.138 Start of MODEL 12 1 H1 GLY 1 H1 GLY 1 9.532 -10.912 -2.273 2 H2 GLY 1 H2 GLY 1 10.364 -9.481 -2.655 3 H3 GLY 1 H3 GLY 1 8.675 -9.555 -2.821 4 HA2 GLY 1 HA2 GLY 1 9.317 -10.259 -0.186 5 HA3 GLY 1 HA3 GLY 1 10.153 -8.759 -0.590 6 HA PRO 2 HA PRO 2 6.378 -6.522 -0.241 7 HB2 PRO 2 HB2 PRO 2 6.446 -4.730 -2.291 8 HB3 PRO 2 HB3 PRO 2 7.586 -4.659 -0.931 9 HG2 PRO 2 HG2 PRO 2 7.990 -5.775 -3.675 10 HG3 PRO 2 HG3 PRO 2 9.082 -4.779 -2.694 11 HD2 PRO 2 HD2 PRO 2 9.336 -7.508 -2.903 12 HD3 PRO 2 HD3 PRO 2 9.852 -6.596 -1.467 13 H ALA 3 H ALA 3 6.845 -8.525 -2.929 14 HA ALA 3 HA ALA 3 4.602 -8.026 -4.533 15 HB1 ALA 3 HB1 ALA 3 6.177 -10.532 -3.955 16 HB2 ALA 3 HB2 ALA 3 6.230 -9.513 -5.393 17 HB3 ALA 3 HB3 ALA 3 4.818 -10.524 -5.080 18 H SER 4 H SER 4 2.495 -8.665 -4.464 19 HA SER 4 HA SER 4 1.420 -9.375 -1.875 20 HB2 SER 4 HB2 SER 4 0.179 -8.789 -4.561 21 HB3 SER 4 HB3 SER 4 -0.776 -9.279 -3.163 22 HG SER 4 HG SER 4 0.654 -7.459 -2.168 23 H VAL 5 H VAL 5 2.905 -11.473 -2.334 24 HA VAL 5 HA VAL 5 1.431 -13.534 -3.781 25 HB VAL 5 HB VAL 5 3.901 -14.035 -2.132 26 HG11 VAL 5 HG11 VAL 5 4.328 -15.654 -3.951 27 HG12 VAL 5 HG12 VAL 5 2.849 -15.133 -4.757 28 HG13 VAL 5 HG13 VAL 5 2.762 -15.944 -3.193 29 HG21 VAL 5 HG21 VAL 5 5.151 -13.441 -4.285 30 HG22 VAL 5 HG22 VAL 5 4.529 -12.081 -3.350 31 HG23 VAL 5 HG23 VAL 5 3.676 -12.621 -4.796 32 HA PRO 6 HA PRO 6 0.859 -15.106 0.646 33 HB2 PRO 6 HB2 PRO 6 1.482 -13.587 2.775 34 HB3 PRO 6 HB3 PRO 6 2.740 -14.431 1.847 35 HG2 PRO 6 HG2 PRO 6 2.011 -11.548 1.849 36 HG3 PRO 6 HG3 PRO 6 3.594 -12.310 1.623 37 HD2 PRO 6 HD2 PRO 6 1.857 -11.368 -0.437 38 HD3 PRO 6 HD3 PRO 6 3.327 -12.342 -0.661 39 H THR 7 H THR 7 -1.047 -15.135 1.870 40 HA THR 7 HA THR 7 -3.227 -13.665 1.087 41 HB THR 7 HB THR 7 -3.528 -15.651 2.411 42 HG1 THR 7 HG1 THR 7 -4.347 -13.283 3.729 43 HG21 THR 7 HG21 THR 7 -2.870 -15.733 4.783 44 HG22 THR 7 HG22 THR 7 -2.184 -14.114 4.651 45 HG23 THR 7 HG23 THR 7 -1.468 -15.452 3.753 46 H THR 8 H THR 8 -0.808 -12.826 3.488 47 HA THR 8 HA THR 8 -2.084 -10.746 4.826 48 HB THR 8 HB THR 8 0.830 -10.781 4.016 49 HG1 THR 8 HG1 THR 8 0.816 -12.569 5.111 50 HG21 THR 8 HG21 THR 8 1.083 -9.579 6.184 51 HG22 THR 8 HG22 THR 8 -0.673 -9.562 6.348 52 HG23 THR 8 HG23 THR 8 0.098 -8.685 5.026 53 H CYS 9 H CYS 9 -3.412 -9.648 3.311 54 HA CYS 9 HA CYS 9 -2.307 -8.318 1.022 55 HB2 CYS 9 HB2 CYS 9 -4.632 -8.909 0.957 56 HB3 CYS 9 HB3 CYS 9 -4.950 -8.053 2.465 57 H CYS 10 H CYS 10 -4.238 -6.552 3.340 58 HA CYS 10 HA CYS 10 -2.318 -5.042 4.661 59 HB2 CYS 10 HB2 CYS 10 -1.401 -4.082 2.746 60 HB3 CYS 10 HB3 CYS 10 -2.931 -4.107 1.876 61 H PHE 11 H PHE 11 -3.348 -3.864 6.189 62 HA PHE 11 HA PHE 11 -6.025 -4.051 6.727 63 HB2 PHE 11 HB2 PHE 11 -4.344 -1.609 7.337 64 HB3 PHE 11 HB3 PHE 11 -5.771 -2.157 8.214 65 HD1 PHE 11 HD1 PHE 11 -5.699 -4.210 9.588 66 HD2 PHE 11 HD2 PHE 11 -2.197 -2.695 7.614 67 HE1 PHE 11 HE1 PHE 11 -4.272 -5.662 11.005 68 HE2 PHE 11 HE2 PHE 11 -0.771 -4.147 9.031 69 HZ PHE 11 HZ PHE 11 -1.808 -5.631 10.726 70 H ASN 12 H ASN 12 -7.647 -2.178 6.764 71 HA ASN 12 HA ASN 12 -8.535 -1.569 4.248 72 HB2 ASN 12 HB2 ASN 12 -9.678 0.439 5.374 73 HB3 ASN 12 HB3 ASN 12 -10.024 -1.163 6.023 74 HD21 ASN 12 HD21 ASN 12 -6.830 -0.131 6.750 75 HD22 ASN 12 HD22 ASN 12 -7.118 0.379 8.343 76 H LEU 13 H LEU 13 -7.800 1.362 5.963 77 HA LEU 13 HA LEU 13 -5.968 2.184 3.766 78 HB2 LEU 13 HB2 LEU 13 -7.644 4.078 5.410 79 HB3 LEU 13 HB3 LEU 13 -6.846 4.368 3.868 80 HG LEU 13 HG LEU 13 -9.159 2.463 4.304 81 HD11 LEU 13 HD11 LEU 13 -8.983 5.253 3.156 82 HD12 LEU 13 HD12 LEU 13 -9.999 4.692 4.484 83 HD13 LEU 13 HD13 LEU 13 -10.342 4.175 2.832 84 HD21 LEU 13 HD21 LEU 13 -7.550 3.285 1.875 85 HD22 LEU 13 HD22 LEU 13 -9.160 2.578 1.736 86 HD23 LEU 13 HD23 LEU 13 -7.852 1.654 2.471 87 H ALA 14 H ALA 14 -4.651 4.191 4.517 88 HA ALA 14 HA ALA 14 -3.119 3.347 6.835 89 HB1 ALA 14 HB1 ALA 14 -1.517 4.997 6.150 90 HB2 ALA 14 HB2 ALA 14 -2.697 5.793 5.107 91 HB3 ALA 14 HB3 ALA 14 -2.090 4.191 4.689 92 H ASN 15 H ASN 15 -2.743 6.595 6.721 93 HA ASN 15 HA ASN 15 -5.014 7.429 8.293 94 HB2 ASN 15 HB2 ASN 15 -2.335 6.940 9.597 95 HB3 ASN 15 HB3 ASN 15 -3.537 8.033 10.281 96 HD21 ASN 15 HD21 ASN 15 -2.484 4.861 10.437 97 HD22 ASN 15 HD22 ASN 15 -3.914 4.133 10.993 98 H ARG 16 H ARG 16 -1.715 8.577 8.733 99 HA ARG 16 HA ARG 16 -2.485 11.219 7.804 100 HB2 ARG 16 HB2 ARG 16 0.277 10.365 8.652 101 HB3 ARG 16 HB3 ARG 16 -0.449 11.971 8.732 102 HG2 ARG 16 HG2 ARG 16 -2.129 11.047 10.367 103 HG3 ARG 16 HG3 ARG 16 -1.199 9.548 10.387 104 HD2 ARG 16 HD2 ARG 16 0.747 10.681 11.245 105 HD3 ARG 16 HD3 ARG 16 -0.007 12.257 11.020 106 HE ARG 16 HE ARG 16 -1.628 10.695 12.731 107 HH11 ARG 16 HH21 ARG 16 1.438 12.293 12.596 108 HH12 ARG 16 HH22 ARG 16 1.506 12.605 14.299 109 HH21 ARG 16 HH11 ARG 16 -1.545 11.100 14.964 110 HH22 ARG 16 HH12 ARG 16 -0.182 11.928 15.640 111 H LYS 17 H LYS 17 0.123 11.983 6.875 112 HA LYS 17 HA LYS 17 -0.074 11.005 4.111 113 HB2 LYS 17 HB2 LYS 17 -0.089 13.371 4.250 114 HB3 LYS 17 HB3 LYS 17 1.237 13.395 5.407 115 HG2 LYS 17 HG2 LYS 17 2.849 12.880 3.772 116 HG3 LYS 17 HG3 LYS 17 1.650 12.238 2.653 117 HD2 LYS 17 HD2 LYS 17 0.723 14.525 2.363 118 HD3 LYS 17 HD3 LYS 17 1.970 15.150 3.441 119 HE2 LYS 17 HE2 LYS 17 3.680 14.121 1.861 120 HE3 LYS 17 HE3 LYS 17 2.350 13.853 0.735 121 HZ1 LYS 17 HZ1 LYS 17 2.741 15.919 0.052 122 HZ2 LYS 17 HZ2 LYS 17 3.725 16.280 1.389 123 HZ3 LYS 17 HZ3 LYS 17 2.037 16.439 1.505 124 H ILE 18 H ILE 18 1.433 9.794 3.145 125 HA ILE 18 HA ILE 18 3.592 8.702 4.735 126 HB ILE 18 HB ILE 18 2.336 8.137 2.072 127 HG12 ILE 18 HG12 ILE 18 1.698 7.121 4.390 128 HG13 ILE 18 HG13 ILE 18 1.803 6.054 2.996 129 HG21 ILE 18 HG21 ILE 18 5.083 7.160 2.876 130 HG22 ILE 18 HG22 ILE 18 4.630 8.013 1.406 131 HG23 ILE 18 HG23 ILE 18 4.088 6.359 1.666 132 HD11 ILE 18 HD11 ILE 18 4.117 6.473 4.903 133 HD12 ILE 18 HD12 ILE 18 3.950 5.227 3.672 134 HD13 ILE 18 HD13 ILE 18 2.924 5.200 5.104 135 HA PRO 19 HA PRO 19 6.522 11.773 3.236 136 HB2 PRO 19 HB2 PRO 19 8.874 10.306 3.475 137 HB3 PRO 19 HB3 PRO 19 8.080 11.150 4.817 138 HG2 PRO 19 HG2 PRO 19 7.919 8.269 4.037 139 HG3 PRO 19 HG3 PRO 19 8.089 8.986 5.647 140 HD2 PRO 19 HD2 PRO 19 5.733 8.092 4.820 141 HD3 PRO 19 HD3 PRO 19 5.828 9.583 5.771 142 H LEU 20 H LEU 20 7.113 12.344 1.212 143 HA LEU 20 HA LEU 20 6.757 10.525 -0.955 144 HB2 LEU 20 HB2 LEU 20 7.489 13.408 -0.670 145 HB3 LEU 20 HB3 LEU 20 7.848 12.623 -2.206 146 HG LEU 20 HG LEU 20 5.497 11.891 -2.386 147 HD11 LEU 20 HD11 LEU 20 5.194 13.420 0.212 148 HD12 LEU 20 HD12 LEU 20 4.939 11.692 -0.034 149 HD13 LEU 20 HD13 LEU 20 3.844 12.858 -0.775 150 HD21 LEU 20 HD21 LEU 20 4.582 14.013 -2.975 151 HD22 LEU 20 HD22 LEU 20 6.325 14.183 -3.192 152 HD23 LEU 20 HD23 LEU 20 5.548 14.850 -1.757 153 H GLN 21 H GLN 21 9.528 11.519 0.892 154 HA GLN 21 HA GLN 21 11.549 10.957 -1.002 155 HB2 GLN 21 HB2 GLN 21 12.977 10.626 1.114 156 HB3 GLN 21 HB3 GLN 21 12.216 12.201 0.884 157 HG2 GLN 21 HG2 GLN 21 10.453 11.663 2.425 158 HG3 GLN 21 HG3 GLN 21 10.962 9.976 2.504 159 HE21 GLN 21 HE21 GLN 21 11.393 13.089 3.926 160 HE22 GLN 21 HE22 GLN 21 12.699 12.687 4.932 161 H ARG 22 H ARG 22 9.867 8.884 1.323 162 HA ARG 22 HA ARG 22 11.547 6.591 0.681 163 HB2 ARG 22 HB2 ARG 22 9.191 7.020 2.518 164 HB3 ARG 22 HB3 ARG 22 9.919 5.433 2.268 165 HG2 ARG 22 HG2 ARG 22 11.826 5.965 3.453 166 HG3 ARG 22 HG3 ARG 22 11.854 7.627 2.874 167 HD2 ARG 22 HD2 ARG 22 10.311 8.351 4.493 168 HD3 ARG 22 HD3 ARG 22 9.751 6.716 4.831 169 HE ARG 22 HE ARG 22 11.965 8.030 6.065 170 HH11 ARG 22 HH21 ARG 22 10.839 4.984 4.868 171 HH12 ARG 22 HH22 ARG 22 11.812 4.044 5.949 172 HH21 ARG 22 HH11 ARG 22 13.243 6.804 7.484 173 HH22 ARG 22 HH12 ARG 22 13.174 5.074 7.429 174 H LEU 23 H LEU 23 8.167 7.574 0.209 175 HA LEU 23 HA LEU 23 7.055 5.357 -0.928 176 HB2 LEU 23 HB2 LEU 23 5.593 7.143 -0.668 177 HB3 LEU 23 HB3 LEU 23 6.726 8.295 -1.329 178 HG LEU 23 HG LEU 23 4.696 7.885 -2.732 179 HD11 LEU 23 HD11 LEU 23 5.856 8.518 -4.543 180 HD12 LEU 23 HD12 LEU 23 6.787 7.024 -4.602 181 HD13 LEU 23 HD13 LEU 23 7.302 8.344 -3.558 182 HD21 LEU 23 HD21 LEU 23 5.216 5.174 -2.271 183 HD22 LEU 23 HD22 LEU 23 5.653 5.409 -3.958 184 HD23 LEU 23 HD23 LEU 23 4.055 5.844 -3.402 185 H GLU 24 H GLU 24 7.174 4.255 -2.824 186 HA GLU 24 HA GLU 24 9.264 5.078 -4.760 187 HB2 GLU 24 HB2 GLU 24 9.658 2.889 -3.738 188 HB3 GLU 24 HB3 GLU 24 8.031 2.374 -4.182 189 HG2 GLU 24 HG2 GLU 24 9.806 1.526 -5.739 190 HG3 GLU 24 HG3 GLU 24 8.561 2.477 -6.545 191 H SER 25 H SER 25 6.314 3.113 -4.820 192 HA SER 25 HA SER 25 5.189 4.696 -7.006 193 HB2 SER 25 HB2 SER 25 4.856 2.338 -8.168 194 HB3 SER 25 HB3 SER 25 6.341 3.240 -8.406 195 HG SER 25 HG SER 25 6.354 0.890 -7.672 196 H TYR 26 H TYR 26 2.983 3.651 -7.649 197 HA TYR 26 HA TYR 26 1.644 2.688 -5.180 198 HB2 TYR 26 HB2 TYR 26 -0.314 3.900 -5.793 199 HB3 TYR 26 HB3 TYR 26 1.037 5.017 -5.941 200 HD1 TYR 26 HD2 TYR 26 2.046 5.438 -8.229 201 HD2 TYR 26 HD1 TYR 26 -1.654 3.334 -7.670 202 HE1 TYR 26 HE2 TYR 26 1.472 5.833 -10.604 203 HE2 TYR 26 HE1 TYR 26 -2.231 3.720 -10.052 204 HH TYR 26 HH TYR 26 -1.603 5.435 -11.839 205 H ARG 27 H ARG 27 -0.358 1.449 -5.561 206 HA ARG 27 HA ARG 27 -0.693 0.108 -8.103 207 HB2 ARG 27 HB2 ARG 27 1.239 -1.075 -6.869 208 HB3 ARG 27 HB3 ARG 27 0.007 -1.628 -5.736 209 HG2 ARG 27 HG2 ARG 27 -1.213 -2.280 -8.095 210 HG3 ARG 27 HG3 ARG 27 0.475 -2.435 -8.577 211 HD2 ARG 27 HD2 ARG 27 -0.902 -3.850 -6.281 212 HD3 ARG 27 HD3 ARG 27 -0.289 -4.581 -7.762 213 HE ARG 27 HE ARG 27 1.248 -3.921 -5.430 214 HH11 ARG 27 HH21 ARG 27 1.290 -4.152 -8.883 215 HH12 ARG 27 HH22 ARG 27 2.995 -4.440 -8.981 216 HH21 ARG 27 HH11 ARG 27 3.484 -4.297 -5.550 217 HH22 ARG 27 HH12 ARG 27 4.238 -4.521 -7.094 218 H ARG 28 H ARG 28 -2.657 -1.118 -8.181 219 HA ARG 28 HA ARG 28 -4.565 -0.331 -6.093 220 HB2 ARG 28 HB2 ARG 28 -4.723 -0.326 -8.859 221 HB3 ARG 28 HB3 ARG 28 -5.636 -1.771 -8.441 222 HG2 ARG 28 HG2 ARG 28 -7.016 -0.434 -6.874 223 HG3 ARG 28 HG3 ARG 28 -6.105 1.010 -7.314 224 HD2 ARG 28 HD2 ARG 28 -7.895 -0.651 -9.100 225 HD3 ARG 28 HD3 ARG 28 -8.110 1.032 -8.631 226 HE ARG 28 HE ARG 28 -5.632 0.787 -9.950 227 HH11 ARG 28 HH21 ARG 28 -9.035 0.536 -10.529 228 HH12 ARG 28 HH22 ARG 28 -8.927 1.015 -12.190 229 HH21 ARG 28 HH11 ARG 28 -5.484 1.415 -12.128 230 HH22 ARG 28 HH12 ARG 28 -6.917 1.512 -13.096 231 H ILE 29 H ILE 29 -6.060 -1.813 -5.180 232 HA ILE 29 HA ILE 29 -5.004 -4.575 -4.983 233 HB ILE 29 HB ILE 29 -6.918 -3.966 -2.878 234 HG12 ILE 29 HG12 ILE 29 -4.597 -2.021 -3.063 235 HG13 ILE 29 HG13 ILE 29 -6.275 -1.595 -3.375 236 HG21 ILE 29 HG21 ILE 29 -3.928 -4.476 -2.897 237 HG22 ILE 29 HG22 ILE 29 -5.203 -5.672 -2.679 238 HG23 ILE 29 HG23 ILE 29 -4.923 -4.449 -1.442 239 HD11 ILE 29 HD11 ILE 29 -5.391 -1.098 -1.017 240 HD12 ILE 29 HD12 ILE 29 -5.420 -2.840 -0.753 241 HD13 ILE 29 HD13 ILE 29 -6.914 -1.981 -1.122 242 H THR 30 H THR 30 -8.007 -2.685 -5.130 243 HA THR 30 HA THR 30 -10.136 -3.230 -5.777 244 HB THR 30 HB THR 30 -10.274 -4.807 -7.740 245 HG1 THR 30 HG1 THR 30 -8.402 -6.023 -7.114 246 HG21 THR 30 HG21 THR 30 -8.793 -3.289 -9.195 247 HG22 THR 30 HG22 THR 30 -8.383 -2.457 -7.695 248 HG23 THR 30 HG23 THR 30 -10.056 -2.505 -8.247 249 H SER 31 H SER 31 -11.786 -4.981 -5.888 250 HA SER 31 HA SER 31 -11.841 -6.497 -3.567 251 HB2 SER 31 HB2 SER 31 -13.308 -6.981 -6.167 252 HB3 SER 31 HB3 SER 31 -13.711 -7.739 -4.630 253 HG SER 31 HG SER 31 -13.754 -4.983 -5.303 254 H GLY 32 H GLY 32 -11.880 -8.846 -3.307 255 HA2 GLY 32 HA2 GLY 32 -11.081 -10.995 -3.634 256 HA3 GLY 32 HA3 GLY 32 -10.580 -10.524 -5.255 257 H LYS 33 H LYS 33 -9.602 -8.709 -2.430 258 HA LYS 33 HA LYS 33 -7.136 -10.037 -1.957 259 HB2 LYS 33 HB2 LYS 33 -6.811 -8.995 -4.287 260 HB3 LYS 33 HB3 LYS 33 -6.812 -7.441 -3.458 261 HG2 LYS 33 HG2 LYS 33 -4.532 -7.920 -3.428 262 HG3 LYS 33 HG3 LYS 33 -5.022 -8.617 -1.889 263 HD2 LYS 33 HD2 LYS 33 -3.807 -10.390 -2.796 264 HD3 LYS 33 HD3 LYS 33 -5.429 -10.798 -3.348 265 HE2 LYS 33 HE2 LYS 33 -3.781 -10.977 -5.184 266 HE3 LYS 33 HE3 LYS 33 -4.972 -9.720 -5.518 267 HZ1 LYS 33 HZ1 LYS 33 -2.472 -9.024 -4.135 268 HZ2 LYS 33 HZ2 LYS 33 -3.467 -8.055 -5.114 269 HZ3 LYS 33 HZ3 LYS 33 -2.462 -9.229 -5.819 270 H CYS 34 H CYS 34 -9.231 -7.289 -1.671 271 HA CYS 34 HA CYS 34 -8.638 -6.906 1.059 272 HB2 CYS 34 HB2 CYS 34 -6.893 -5.544 -0.819 273 HB3 CYS 34 HB3 CYS 34 -7.756 -4.363 0.156 274 HA PRO 35 HA PRO 35 -12.456 -4.705 1.216 275 HB2 PRO 35 HB2 PRO 35 -10.986 -2.236 2.099 276 HB3 PRO 35 HB3 PRO 35 -12.428 -2.999 2.802 277 HG2 PRO 35 HG2 PRO 35 -10.067 -3.315 3.941 278 HG3 PRO 35 HG3 PRO 35 -11.197 -4.677 3.825 279 HD2 PRO 35 HD2 PRO 35 -8.707 -4.151 2.248 280 HD3 PRO 35 HD3 PRO 35 -9.404 -5.696 2.781 281 H GLN 36 H GLN 36 -13.241 -2.156 0.763 282 HA GLN 36 HA GLN 36 -13.762 -1.815 -1.826 283 HB2 GLN 36 HB2 GLN 36 -13.849 0.630 -1.460 284 HB3 GLN 36 HB3 GLN 36 -14.576 -0.271 -0.130 285 HG2 GLN 36 HG2 GLN 36 -12.267 -0.134 1.002 286 HG3 GLN 36 HG3 GLN 36 -11.877 1.086 -0.208 287 HE21 GLN 36 HE21 GLN 36 -14.839 0.428 1.760 288 HE22 GLN 36 HE22 GLN 36 -14.969 2.016 2.345 289 H LYS 37 H LYS 37 -12.901 -0.940 -3.673 290 HA LYS 37 HA LYS 37 -10.274 -1.381 -4.346 291 HB2 LYS 37 HB2 LYS 37 -12.215 -0.818 -5.888 292 HB3 LYS 37 HB3 LYS 37 -11.927 0.876 -5.493 293 HG2 LYS 37 HG2 LYS 37 -9.743 0.834 -6.453 294 HG3 LYS 37 HG3 LYS 37 -9.737 -0.925 -6.547 295 HD2 LYS 37 HD2 LYS 37 -10.180 -0.049 -8.767 296 HD3 LYS 37 HD3 LYS 37 -11.654 -0.796 -8.159 297 HE2 LYS 37 HE2 LYS 37 -11.158 2.152 -7.758 298 HE3 LYS 37 HE3 LYS 37 -11.831 1.547 -9.270 299 HZ1 LYS 37 HZ1 LYS 37 -13.040 1.718 -6.652 300 HZ2 LYS 37 HZ2 LYS 37 -13.314 0.248 -7.460 301 HZ3 LYS 37 HZ3 LYS 37 -13.765 1.717 -8.187 302 H ALA 38 H ALA 38 -8.375 -0.216 -4.316 303 HA ALA 38 HA ALA 38 -8.243 2.547 -3.605 304 HB1 ALA 38 HB1 ALA 38 -6.966 2.089 -1.432 305 HB2 ALA 38 HB2 ALA 38 -7.680 0.478 -1.489 306 HB3 ALA 38 HB3 ALA 38 -8.718 1.900 -1.380 307 H VAL 39 H VAL 39 -5.897 3.193 -3.136 308 HA VAL 39 HA VAL 39 -4.130 1.608 -4.899 309 HB VAL 39 HB VAL 39 -2.926 3.603 -5.345 310 HG11 VAL 39 HG11 VAL 39 -5.791 4.539 -5.158 311 HG12 VAL 39 HG12 VAL 39 -5.279 3.323 -6.329 312 HG13 VAL 39 HG13 VAL 39 -4.587 4.944 -6.382 313 HG21 VAL 39 HG21 VAL 39 -4.475 4.762 -3.018 314 HG22 VAL 39 HG22 VAL 39 -3.583 5.759 -4.169 315 HG23 VAL 39 HG23 VAL 39 -2.725 4.588 -3.168 316 H ILE 40 H ILE 40 -1.884 1.336 -4.264 317 HA ILE 40 HA ILE 40 -1.456 1.447 -1.326 318 HB ILE 40 HB ILE 40 -0.933 -0.806 -3.269 319 HG12 ILE 40 HG12 ILE 40 -2.233 -0.807 -0.537 320 HG13 ILE 40 HG13 ILE 40 -3.136 -0.562 -2.031 321 HG21 ILE 40 HG21 ILE 40 0.284 -0.329 -0.540 322 HG22 ILE 40 HG22 ILE 40 1.120 -0.686 -2.050 323 HG23 ILE 40 HG23 ILE 40 0.163 -1.933 -1.257 324 HD11 ILE 40 HD11 ILE 40 -3.150 -2.940 -1.312 325 HD12 ILE 40 HD12 ILE 40 -1.392 -2.969 -1.436 326 HD13 ILE 40 HD13 ILE 40 -2.374 -2.727 -2.881 327 H PHE 41 H PHE 41 0.057 2.974 -1.028 328 HA PHE 41 HA PHE 41 2.192 3.396 -2.959 329 HB2 PHE 41 HB2 PHE 41 1.778 4.647 -0.230 330 HB3 PHE 41 HB3 PHE 41 2.896 5.195 -1.476 331 HD1 PHE 41 HD2 PHE 41 1.812 5.659 -3.846 332 HD2 PHE 41 HD1 PHE 41 -0.360 5.585 -0.148 333 HE1 PHE 41 HE2 PHE 41 0.019 7.021 -4.879 334 HE2 PHE 41 HE1 PHE 41 -2.141 6.951 -1.172 335 HZ PHE 41 HZ PHE 41 -1.963 7.667 -3.540 336 H LYS 42 H LYS 42 3.993 2.204 -2.949 337 HA LYS 42 HA LYS 42 4.759 0.758 -0.491 338 HB2 LYS 42 HB2 LYS 42 6.346 -0.408 -2.170 339 HB3 LYS 42 HB3 LYS 42 4.622 -0.759 -2.277 340 HG2 LYS 42 HG2 LYS 42 4.332 0.660 -4.157 341 HG3 LYS 42 HG3 LYS 42 5.893 1.442 -3.908 342 HD2 LYS 42 HD2 LYS 42 5.910 -0.220 -5.785 343 HD3 LYS 42 HD3 LYS 42 7.071 -0.596 -4.513 344 HE2 LYS 42 HE2 LYS 42 5.712 -2.330 -3.633 345 HE3 LYS 42 HE3 LYS 42 4.288 -1.773 -4.513 346 HZ1 LYS 42 HZ1 LYS 42 5.045 -2.638 -6.474 347 HZ2 LYS 42 HZ2 LYS 42 5.675 -3.777 -5.382 348 HZ3 LYS 42 HZ3 LYS 42 6.678 -2.565 -6.022 349 H THR 43 H THR 43 6.462 1.348 0.664 350 HA THR 43 HA THR 43 8.457 3.198 -0.531 351 HB THR 43 HB THR 43 7.970 4.688 1.112 352 HG1 THR 43 HG1 THR 43 8.407 2.634 3.002 353 HG21 THR 43 HG21 THR 43 6.184 2.544 2.297 354 HG22 THR 43 HG22 THR 43 5.690 3.782 1.140 355 HG23 THR 43 HG23 THR 43 6.190 4.244 2.768 356 H LYS 44 H LYS 44 10.446 3.204 1.135 357 HA LYS 44 HA LYS 44 11.491 0.504 1.005 358 HB2 LYS 44 HB2 LYS 44 12.760 3.050 2.046 359 HB3 LYS 44 HB3 LYS 44 13.598 1.532 1.736 360 HG2 LYS 44 HG2 LYS 44 12.004 2.801 -0.485 361 HG3 LYS 44 HG3 LYS 44 13.592 3.454 -0.096 362 HD2 LYS 44 HD2 LYS 44 13.292 0.478 -0.469 363 HD3 LYS 44 HD3 LYS 44 13.357 1.518 -1.889 364 HE2 LYS 44 HE2 LYS 44 15.441 1.403 0.317 365 HE3 LYS 44 HE3 LYS 44 15.609 0.724 -1.301 366 HZ1 LYS 44 HZ1 LYS 44 16.657 2.802 -1.370 367 HZ2 LYS 44 HZ2 LYS 44 15.397 3.573 -0.529 368 HZ3 LYS 44 HZ3 LYS 44 15.158 3.047 -2.127 369 H LEU 45 H LEU 45 9.484 1.878 3.142 370 HA LEU 45 HA LEU 45 10.572 1.630 5.666 371 HB2 LEU 45 HB2 LEU 45 7.853 1.506 4.511 372 HB3 LEU 45 HB3 LEU 45 7.996 0.642 6.034 373 HG LEU 45 HG LEU 45 7.297 2.935 6.440 374 HD11 LEU 45 HD11 LEU 45 10.126 3.132 7.360 375 HD12 LEU 45 HD12 LEU 45 9.250 1.674 7.828 376 HD13 LEU 45 HD13 LEU 45 8.622 3.258 8.269 377 HD21 LEU 45 HD21 LEU 45 9.132 4.749 5.934 378 HD22 LEU 45 HD22 LEU 45 8.031 4.240 4.658 379 HD23 LEU 45 HD23 LEU 45 9.671 3.598 4.712 380 H ALA 46 H ALA 46 8.256 -0.883 4.893 381 HA ALA 46 HA ALA 46 9.958 -3.090 4.643 382 HB1 ALA 46 HB1 ALA 46 9.288 -2.314 7.477 383 HB2 ALA 46 HB2 ALA 46 10.847 -2.793 6.806 384 HB3 ALA 46 HB3 ALA 46 9.583 -3.998 7.042 385 H LYS 47 H LYS 47 7.082 -1.664 4.557 386 HA LYS 47 HA LYS 47 5.663 -4.147 4.108 387 HB2 LYS 47 HB2 LYS 47 3.764 -3.191 5.706 388 HB3 LYS 47 HB3 LYS 47 5.071 -4.185 6.350 389 HG2 LYS 47 HG2 LYS 47 4.690 -2.132 7.701 390 HG3 LYS 47 HG3 LYS 47 6.314 -2.194 7.020 391 HD2 LYS 47 HD2 LYS 47 5.784 -0.594 5.339 392 HD3 LYS 47 HD3 LYS 47 4.053 -0.762 5.620 393 HE2 LYS 47 HE2 LYS 47 5.913 0.220 7.786 394 HE3 LYS 47 HE3 LYS 47 5.206 1.323 6.607 395 HZ1 LYS 47 HZ1 LYS 47 3.151 -0.299 7.511 396 HZ2 LYS 47 HZ2 LYS 47 3.387 1.352 7.841 397 HZ3 LYS 47 HZ3 LYS 47 4.012 0.173 8.893 398 H ASP 48 H ASP 48 3.285 -3.598 3.526 399 HA ASP 48 HA ASP 48 3.384 -1.400 1.584 400 HB2 ASP 48 HB2 ASP 48 1.150 -3.397 1.903 401 HB3 ASP 48 HB3 ASP 48 1.620 -2.487 0.469 402 H ILE 49 H ILE 49 1.869 0.234 1.465 403 HA ILE 49 HA ILE 49 0.182 0.671 3.877 404 HB ILE 49 HB ILE 49 1.499 2.745 2.110 405 HG12 ILE 49 HG12 ILE 49 3.197 1.526 3.375 406 HG13 ILE 49 HG13 ILE 49 2.986 3.129 4.065 407 HG21 ILE 49 HG21 ILE 49 0.872 4.210 4.108 408 HG22 ILE 49 HG22 ILE 49 -0.156 2.877 4.631 409 HG23 ILE 49 HG23 ILE 49 -0.462 3.671 3.086 410 HD11 ILE 49 HD11 ILE 49 2.997 1.771 5.970 411 HD12 ILE 49 HD12 ILE 49 2.120 0.471 5.170 412 HD13 ILE 49 HD13 ILE 49 1.271 1.932 5.660 413 H CYS 50 H CYS 50 -1.952 0.956 3.512 414 HA CYS 50 HA CYS 50 -2.885 1.119 0.708 415 HB2 CYS 50 HB2 CYS 50 -4.253 0.304 3.278 416 HB3 CYS 50 HB3 CYS 50 -5.103 0.515 1.747 417 H ALA 51 H ALA 51 -4.647 2.539 0.179 418 HA ALA 51 HA ALA 51 -5.549 4.570 1.953 419 HB1 ALA 51 HB1 ALA 51 -3.018 5.091 1.105 420 HB2 ALA 51 HB2 ALA 51 -4.183 6.349 1.509 421 HB3 ALA 51 HB3 ALA 51 -3.940 5.878 -0.173 422 H ASP 52 H ASP 52 -7.374 5.495 1.177 423 HA ASP 52 HA ASP 52 -8.376 4.538 -1.371 424 HB2 ASP 52 HB2 ASP 52 -9.858 4.472 0.538 425 HB3 ASP 52 HB3 ASP 52 -9.625 6.194 0.830 426 HA PRO 53 HA PRO 53 -7.321 8.326 -3.531 427 HB2 PRO 53 HB2 PRO 53 -9.099 8.197 -5.628 428 HB3 PRO 53 HB3 PRO 53 -7.620 7.223 -5.536 429 HG2 PRO 53 HG2 PRO 53 -10.428 6.456 -4.867 430 HG3 PRO 53 HG3 PRO 53 -9.182 5.535 -5.733 431 HD2 PRO 53 HD2 PRO 53 -9.760 5.060 -3.128 432 HD3 PRO 53 HD3 PRO 53 -8.113 4.871 -3.774 433 H LYS 54 H LYS 54 -8.390 9.224 -1.441 434 HA LYS 54 HA LYS 54 -10.469 11.125 -2.287 435 HB2 LYS 54 HB2 LYS 54 -10.648 9.232 0.059 436 HB3 LYS 54 HB3 LYS 54 -11.526 10.761 0.045 437 HG2 LYS 54 HG2 LYS 54 -12.808 10.141 -1.853 438 HG3 LYS 54 HG3 LYS 54 -11.728 8.811 -2.255 439 HD2 LYS 54 HD2 LYS 54 -12.404 7.735 -0.053 440 HD3 LYS 54 HD3 LYS 54 -13.653 8.976 0.073 441 HE2 LYS 54 HE2 LYS 54 -14.656 8.250 -2.016 442 HE3 LYS 54 HE3 LYS 54 -13.341 7.107 -2.294 443 HZ1 LYS 54 HZ1 LYS 54 -14.513 6.727 0.267 444 HZ2 LYS 54 HZ2 LYS 54 -14.324 5.616 -1.005 445 HZ3 LYS 54 HZ3 LYS 54 -15.690 6.623 -0.950 446 H LYS 55 H LYS 55 -8.324 10.106 0.374 447 HA LYS 55 HA LYS 55 -8.131 12.670 1.559 448 HB2 LYS 55 HB2 LYS 55 -5.696 11.117 1.966 449 HB3 LYS 55 HB3 LYS 55 -6.951 11.523 3.129 450 HG2 LYS 55 HG2 LYS 55 -8.333 9.634 2.246 451 HG3 LYS 55 HG3 LYS 55 -7.004 9.202 1.177 452 HD2 LYS 55 HD2 LYS 55 -6.605 7.785 2.990 453 HD3 LYS 55 HD3 LYS 55 -5.584 9.160 3.394 454 HE2 LYS 55 HE2 LYS 55 -6.944 8.379 5.330 455 HE3 LYS 55 HE3 LYS 55 -7.307 10.045 4.891 456 HZ1 LYS 55 HZ1 LYS 55 -9.167 8.185 5.228 457 HZ2 LYS 55 HZ2 LYS 55 -8.884 7.995 3.563 458 HZ3 LYS 55 HZ3 LYS 55 -9.360 9.505 4.181 459 H LYS 56 H LYS 56 -6.623 14.302 1.307 460 HA LYS 56 HA LYS 56 -5.830 14.961 -1.243 461 HB2 LYS 56 HB2 LYS 56 -5.977 16.453 0.812 462 HB3 LYS 56 HB3 LYS 56 -4.349 15.900 1.207 463 HG2 LYS 56 HG2 LYS 56 -3.710 16.596 -1.187 464 HG3 LYS 56 HG3 LYS 56 -5.251 17.454 -1.222 465 HD2 LYS 56 HD2 LYS 56 -4.509 18.560 0.969 466 HD3 LYS 56 HD3 LYS 56 -2.902 17.923 0.620 467 HE2 LYS 56 HE2 LYS 56 -2.901 19.093 -1.549 468 HE3 LYS 56 HE3 LYS 56 -4.513 19.725 -1.212 469 HZ1 LYS 56 HZ1 LYS 56 -2.531 20.188 0.851 470 HZ2 LYS 56 HZ2 LYS 56 -3.721 21.230 0.229 471 HZ3 LYS 56 HZ3 LYS 56 -2.258 21.010 -0.608 472 H TRP 57 H TRP 57 -3.559 13.794 1.303 473 HA TRP 57 HA TRP 57 -1.316 13.772 -0.340 474 HB2 TRP 57 HB2 TRP 57 -0.222 12.468 1.292 475 HB3 TRP 57 HB3 TRP 57 -1.370 13.467 2.172 476 HD1 TRP 57 HD1 TRP 57 -3.539 12.275 3.167 477 HE1 TRP 57 HE1 TRP 57 -3.993 9.816 3.782 478 HE3 TRP 57 HE3 TRP 57 0.268 9.999 0.621 479 HZ2 TRP 57 HZ2 TRP 57 -2.898 7.228 3.263 480 HZ3 TRP 57 HZ3 TRP 57 0.538 7.542 0.701 481 HH2 TRP 57 HH2 TRP 57 -1.041 6.152 2.019 482 H VAL 58 H VAL 58 -3.929 11.455 -0.232 483 HA VAL 58 HA VAL 58 -2.505 9.330 -1.501 484 HB VAL 58 HB VAL 58 -5.469 9.938 -1.374 485 HG11 VAL 58 HG11 VAL 58 -5.714 7.528 -2.043 486 HG12 VAL 58 HG12 VAL 58 -3.994 7.497 -2.400 487 HG13 VAL 58 HG13 VAL 58 -5.060 8.543 -3.325 488 HG21 VAL 58 HG21 VAL 58 -5.326 7.913 0.201 489 HG22 VAL 58 HG22 VAL 58 -4.651 9.425 0.803 490 HG23 VAL 58 HG23 VAL 58 -3.582 8.170 0.193 491 H GLN 59 H GLN 59 -4.787 11.770 -2.767 492 HA GLN 59 HA GLN 59 -4.383 11.015 -5.481 493 HB2 GLN 59 HB2 GLN 59 -5.260 13.799 -4.786 494 HB3 GLN 59 HB3 GLN 59 -5.884 12.695 -6.014 495 HG2 GLN 59 HG2 GLN 59 -6.620 11.257 -3.917 496 HG3 GLN 59 HG3 GLN 59 -6.477 12.788 -3.067 497 HE21 GLN 59 HE21 GLN 59 -8.056 14.437 -3.506 498 HE22 GLN 59 HE22 GLN 59 -9.411 14.155 -4.488 499 H ASP 60 H ASP 60 -2.830 13.318 -3.335 500 HA ASP 60 HA ASP 60 -1.341 14.643 -5.409 501 HB2 ASP 60 HB2 ASP 60 -1.989 15.586 -3.115 502 HB3 ASP 60 HB3 ASP 60 -0.657 14.629 -2.473 503 H SER 61 H SER 61 -0.830 11.849 -3.368 504 HA SER 61 HA SER 61 1.994 11.709 -3.604 505 HB2 SER 61 HB2 SER 61 1.546 9.218 -3.072 506 HB3 SER 61 HB3 SER 61 1.070 10.419 -1.876 507 HG SER 61 HG SER 61 -1.025 10.349 -3.120 508 H MET 62 H MET 62 -0.588 9.992 -5.417 509 HA MET 62 HA MET 62 1.256 8.732 -7.195 510 HB2 MET 62 HB2 MET 62 -0.834 8.327 -8.592 511 HB3 MET 62 HB3 MET 62 -0.863 7.680 -6.952 512 HG2 MET 62 HG2 MET 62 -2.219 9.485 -6.171 513 HG3 MET 62 HG3 MET 62 -1.990 10.392 -7.659 514 HE1 MET 62 HE1 MET 62 -3.353 6.972 -6.202 515 HE2 MET 62 HE2 MET 62 -5.033 7.217 -6.674 516 HE3 MET 62 HE3 MET 62 -4.227 8.413 -5.663 517 H LYS 63 H LYS 63 -0.542 11.758 -7.267 518 HA LYS 63 HA LYS 63 -0.156 12.404 -9.983 519 HB2 LYS 63 HB2 LYS 63 -1.721 13.671 -8.637 520 HB3 LYS 63 HB3 LYS 63 -0.438 14.171 -7.538 521 HG2 LYS 63 HG2 LYS 63 -1.082 15.943 -9.190 522 HG3 LYS 63 HG3 LYS 63 0.619 15.494 -9.284 523 HD2 LYS 63 HD2 LYS 63 0.320 14.281 -11.284 524 HD3 LYS 63 HD3 LYS 63 -1.422 14.134 -11.044 525 HE2 LYS 63 HE2 LYS 63 0.041 16.731 -11.606 526 HE3 LYS 63 HE3 LYS 63 -0.857 15.799 -12.802 527 HZ1 LYS 63 HZ1 LYS 63 -1.863 17.315 -10.493 528 HZ2 LYS 63 HZ2 LYS 63 -2.755 15.991 -11.075 529 HZ3 LYS 63 HZ3 LYS 63 -2.418 17.307 -12.096 530 H TYR 64 H TYR 64 1.807 12.931 -7.102 531 HA TYR 64 HA TYR 64 3.849 14.463 -8.327 532 HB2 TYR 64 HB2 TYR 64 4.163 14.651 -6.069 533 HB3 TYR 64 HB3 TYR 64 3.355 13.123 -5.755 534 HD1 TYR 64 HD2 TYR 64 6.501 14.150 -7.546 535 HD2 TYR 64 HD1 TYR 64 4.700 11.626 -4.570 536 HE1 TYR 64 HE2 TYR 64 8.700 13.093 -7.109 537 HE2 TYR 64 HE1 TYR 64 6.899 10.576 -4.129 538 HH TYR 64 HH TYR 64 9.686 11.228 -6.153 539 H LEU 65 H LEU 65 3.235 11.019 -8.065 540 HA LEU 65 HA LEU 65 5.808 10.208 -9.038 541 HB2 LEU 65 HB2 LEU 65 3.181 8.827 -8.545 542 HB3 LEU 65 HB3 LEU 65 4.451 7.992 -9.437 543 HG LEU 65 HG LEU 65 5.166 9.328 -6.832 544 HD11 LEU 65 HD11 LEU 65 3.330 8.127 -6.004 545 HD12 LEU 65 HD12 LEU 65 4.660 6.988 -5.791 546 HD13 LEU 65 HD13 LEU 65 3.555 6.807 -7.148 547 HD21 LEU 65 HD21 LEU 65 6.927 7.747 -6.809 548 HD22 LEU 65 HD22 LEU 65 6.777 8.163 -8.513 549 HD23 LEU 65 HD23 LEU 65 6.085 6.659 -7.911 550 H ASP 66 H ASP 66 2.928 11.365 -10.470 551 HA ASP 66 HA ASP 66 3.210 10.122 -13.029 552 HB2 ASP 66 HB2 ASP 66 1.127 11.220 -11.971 553 HB3 ASP 66 HB3 ASP 66 1.812 12.745 -12.526 554 H GLN 67 H GLN 67 4.411 13.070 -11.549 555 HA GLN 67 HA GLN 67 5.283 14.364 -13.912 556 HB2 GLN 67 HB2 GLN 67 6.372 14.590 -11.097 557 HB3 GLN 67 HB3 GLN 67 6.653 15.734 -12.411 558 HG2 GLN 67 HG2 GLN 67 3.884 15.001 -11.435 559 HG3 GLN 67 HG3 GLN 67 4.791 16.372 -10.802 560 HE21 GLN 67 HE21 GLN 67 2.806 15.290 -13.432 561 HE22 GLN 67 HE22 GLN 67 2.937 16.692 -14.379 562 H LYS 68 H LYS 68 7.104 12.443 -11.510 563 HA LYS 68 HA LYS 68 9.471 12.400 -13.149 564 HB2 LYS 68 HB2 LYS 68 10.332 10.833 -11.429 565 HB3 LYS 68 HB3 LYS 68 9.685 12.318 -10.729 566 HG2 LYS 68 HG2 LYS 68 7.499 11.098 -10.384 567 HG3 LYS 68 HG3 LYS 68 8.317 9.618 -10.875 568 HD2 LYS 68 HD2 LYS 68 9.435 11.329 -8.651 569 HD3 LYS 68 HD3 LYS 68 8.164 10.153 -8.332 570 HE2 LYS 68 HE2 LYS 68 9.593 8.378 -9.347 571 HE3 LYS 68 HE3 LYS 68 10.880 9.567 -9.547 572 HZ1 LYS 68 HZ1 LYS 68 10.034 9.781 -6.929 573 HZ2 LYS 68 HZ2 LYS 68 11.494 9.113 -7.485 574 HZ3 LYS 68 HZ3 LYS 68 10.142 8.116 -7.233 575 H SER 69 H SER 69 6.783 10.206 -12.505 576 HA SER 69 HA SER 69 6.107 8.275 -13.558 577 HB2 SER 69 HB2 SER 69 7.980 9.023 -15.797 578 HB3 SER 69 HB3 SER 69 6.480 8.105 -15.889 579 HG SER 69 HG SER 69 6.510 10.739 -14.887 580 HA PRO 70 HA PRO 70 9.883 6.123 -11.885 581 HB2 PRO 70 HB2 PRO 70 7.688 4.097 -11.553 582 HB3 PRO 70 HB3 PRO 70 8.993 4.538 -10.430 583 HG2 PRO 70 HG2 PRO 70 6.523 5.411 -10.032 584 HG3 PRO 70 HG3 PRO 70 7.916 6.468 -9.732 585 HD2 PRO 70 HD2 PRO 70 5.975 6.515 -12.016 586 HD3 PRO 70 HD3 PRO 70 6.814 7.866 -11.223 587 H THR 71 H THR 71 10.982 4.196 -12.640 588 HA THR 71 HA THR 71 11.058 3.827 -15.362 589 HB THR 71 HB THR 71 12.906 2.884 -14.335 590 HG1 THR 71 HG1 THR 71 11.055 0.780 -14.715 591 HG21 THR 71 HG21 THR 71 10.937 1.840 -12.295 592 HG22 THR 71 HG22 THR 71 12.231 3.013 -12.058 593 HG23 THR 71 HG23 THR 71 12.620 1.315 -12.329 594 HA PRO 72 HA PRO 72 7.603 1.549 -16.923 595 HB2 PRO 72 HB2 PRO 72 9.619 -0.623 -17.461 596 HB3 PRO 72 HB3 PRO 72 8.320 -0.017 -18.510 597 HG2 PRO 72 HG2 PRO 72 10.862 0.760 -18.838 598 HG3 PRO 72 HG3 PRO 72 9.503 1.863 -19.122 599 HD2 PRO 72 HD2 PRO 72 11.499 1.910 -16.933 600 HD3 PRO 72 HD3 PRO 72 10.421 3.205 -17.498 601 H LYS 73 H LYS 73 6.303 0.968 -15.233 602 HA LYS 73 HA LYS 73 7.009 -0.685 -13.083 603 HB2 LYS 73 HB2 LYS 73 4.421 -0.964 -12.926 604 HB3 LYS 73 HB3 LYS 73 5.110 0.649 -12.739 605 HG2 LYS 73 HG2 LYS 73 4.538 1.266 -14.965 606 HG3 LYS 73 HG3 LYS 73 4.203 -0.404 -15.421 607 HD2 LYS 73 HD2 LYS 73 2.297 -0.440 -13.833 608 HD3 LYS 73 HD3 LYS 73 2.611 1.251 -13.441 609 HE2 LYS 73 HE2 LYS 73 1.784 0.117 -16.123 610 HE3 LYS 73 HE3 LYS 73 0.865 1.220 -15.100 611 HZ1 LYS 73 HZ1 LYS 73 1.796 2.715 -16.500 612 HZ2 LYS 73 HZ2 LYS 73 3.159 1.754 -16.825 613 HZ3 LYS 73 HZ3 LYS 73 3.061 2.633 -15.374 614 HA PRO 74 HA PRO 74 6.789 -4.732 -14.889 615 HB2 PRO 74 HB2 PRO 74 6.105 -6.272 -12.740 616 HB3 PRO 74 HB3 PRO 74 7.701 -5.512 -12.900 617 HG2 PRO 74 HG2 PRO 74 5.330 -4.602 -11.320 618 HG3 PRO 74 HG3 PRO 74 7.041 -4.647 -10.854 619 HD2 PRO 74 HD2 PRO 74 5.818 -2.353 -11.688 620 HD3 PRO 74 HD3 PRO 74 7.541 -2.675 -11.983 621 H1 VAL 208 H1 VAL 208 -15.376 14.738 12.924 622 H2 VAL 208 H2 VAL 208 -14.554 13.287 12.599 623 H3 VAL 208 H3 VAL 208 -13.894 14.771 12.099 624 HA VAL 208 HA VAL 208 -13.675 15.447 14.435 625 HB VAL 208 HB VAL 208 -14.397 12.555 14.989 626 HG11 VAL 208 HG11 VAL 208 -12.828 13.543 16.593 627 HG12 VAL 208 HG12 VAL 208 -14.414 13.366 17.342 628 HG13 VAL 208 HG13 VAL 208 -13.877 14.948 16.781 629 HG21 VAL 208 HG21 VAL 208 -16.011 15.093 15.411 630 HG22 VAL 208 HG22 VAL 208 -16.465 13.493 15.997 631 HG23 VAL 208 HG23 VAL 208 -16.387 13.807 14.263 632 H GLU 209 H GLU 209 -12.896 12.658 12.502 633 HA GLU 209 HA GLU 209 -10.050 13.079 12.990 634 HB2 GLU 209 HB2 GLU 209 -11.415 10.441 13.588 635 HB3 GLU 209 HB3 GLU 209 -9.670 10.666 13.480 636 HG2 GLU 209 HG2 GLU 209 -9.947 12.492 15.256 637 HG3 GLU 209 HG3 GLU 209 -11.576 11.864 15.495 638 H THR 210 H THR 210 -10.403 13.776 10.741 639 HA THR 210 HA THR 210 -11.167 11.875 8.739 640 HB THR 210 HB THR 210 -10.504 13.567 7.150 641 HG1 THR 210 HG1 THR 210 -8.544 14.162 8.080 642 HG21 THR 210 HG21 THR 210 -11.702 14.778 9.655 643 HG22 THR 210 HG22 THR 210 -12.587 14.009 8.337 644 HG23 THR 210 HG23 THR 210 -11.738 15.530 8.061 645 H PHE 211 H PHE 211 -9.293 10.625 10.313 646 HA PHE 211 HA PHE 211 -7.288 9.499 10.271 647 HB2 PHE 211 HB2 PHE 211 -8.185 9.700 7.419 648 HB3 PHE 211 HB3 PHE 211 -6.557 9.094 7.715 649 HD1 PHE 211 HD1 PHE 211 -9.450 8.625 10.022 650 HD2 PHE 211 HD2 PHE 211 -6.907 6.797 7.069 651 HE1 PHE 211 HE1 PHE 211 -10.351 6.401 10.616 652 HE2 PHE 211 HE2 PHE 211 -7.814 4.576 7.677 653 HZ PHE 211 HZ PHE 211 -9.533 4.377 9.444 654 H GLY 212 H GLY 212 -7.426 12.597 9.935 655 HA2 GLY 212 HA2 GLY 212 -5.954 14.355 9.680 656 HA3 GLY 212 HA3 GLY 212 -4.803 13.233 10.397 657 H THR 213 H THR 213 -3.547 14.840 8.871 658 HA THR 213 HA THR 213 -2.586 13.275 6.679 659 HB THR 213 HB THR 213 -4.041 15.842 5.995 660 HG1 THR 213 HG1 THR 213 -5.404 14.411 4.862 661 HG21 THR 213 HG21 THR 213 -2.371 13.893 4.403 662 HG22 THR 213 HG22 THR 213 -2.168 15.639 4.545 663 HG23 THR 213 HG23 THR 213 -3.529 14.981 3.637 664 H THR 214 H THR 214 -0.745 13.667 8.113 665 HA THR 214 HA THR 214 0.796 15.943 7.216 666 HB THR 214 HB THR 214 0.474 15.714 10.204 667 HG1 THR 214 HG1 THR 214 -1.284 16.904 10.151 668 HG21 THR 214 HG21 THR 214 1.436 17.859 10.239 669 HG22 THR 214 HG22 THR 214 1.004 18.183 8.562 670 HG23 THR 214 HG23 THR 214 2.312 17.062 8.933 671 H SER 215 H SER 215 2.347 15.520 9.883 672 HA SER 215 HA SER 215 4.419 13.972 8.961 673 HB2 SER 215 HB2 SER 215 3.605 13.917 11.863 674 HB3 SER 215 HB3 SER 215 5.228 13.876 11.178 675 HG SER 215 HG SER 215 4.695 15.951 11.962 676 H TYS 216 H TYS 216 5.138 11.799 9.651 677 HA TYS 216 HA TYS 216 3.168 9.892 10.525 678 HB2 TYS 216 HB2 TYS 216 2.556 10.253 8.126 679 HB3 TYS 216 HB1 TYS 216 4.159 9.676 7.673 680 HD1 TYS 216 HD1 TYS 216 1.294 8.659 9.891 681 HD2 TYS 216 HD2 TYS 216 4.369 7.404 7.163 682 HE1 TYS 216 HE1 TYS 216 0.488 6.323 10.060 683 HE2 TYS 216 HE2 TYS 216 3.557 5.065 7.338 684 H TYS 217 H TYS 217 6.286 10.932 9.987 685 HA TYS 217 HA TYS 217 7.400 8.577 11.261 686 HB2 TYS 217 HB2 TYS 217 7.998 9.304 8.399 687 HB3 TYS 217 HB1 TYS 217 9.263 8.584 9.390 688 HD1 TYS 217 HD1 TYS 217 6.712 7.810 7.132 689 HD2 TYS 217 HD2 TYS 217 8.356 6.496 10.881 690 HE1 TYS 217 HE1 TYS 217 5.755 5.553 6.764 691 HE2 TYS 217 HE2 TYS 217 7.389 4.245 10.515 692 H ASP 218 H ASP 218 6.999 11.400 11.866 693 HA ASP 218 HA ASP 218 9.177 13.056 11.584 694 HB2 ASP 218 HB2 ASP 218 7.016 13.563 12.793 695 HB3 ASP 218 HB3 ASP 218 7.677 12.707 14.184 696 H ASP 219 H ASP 219 8.959 10.093 13.346 697 HA ASP 219 HA ASP 219 11.190 10.542 15.090 698 HB2 ASP 219 HB2 ASP 219 9.746 8.040 14.204 699 HB3 ASP 219 HB3 ASP 219 11.083 8.026 15.351 700 H VAL 220 H VAL 220 10.751 9.297 11.852 701 HA VAL 220 HA VAL 220 12.239 8.760 10.194 702 HB VAL 220 HB VAL 220 14.400 9.997 11.900 703 HG11 VAL 220 HG11 VAL 220 13.908 9.805 8.913 704 HG12 VAL 220 HG12 VAL 220 15.122 8.911 9.828 705 HG13 VAL 220 HG13 VAL 220 15.257 10.661 9.660 706 HG21 VAL 220 HG21 VAL 220 13.708 12.136 10.662 707 HG22 VAL 220 HG22 VAL 220 12.648 11.618 11.972 708 HG23 VAL 220 HG23 VAL 220 12.193 11.309 10.297 709 H GLY 221 H GLY 221 14.271 8.485 13.123 710 HA2 GLY 221 HA2 GLY 221 15.760 6.298 12.493 711 HA3 GLY 221 HA3 GLY 221 15.190 6.609 14.130 712 H LEU 222 H LEU 222 12.356 6.378 12.987 713 HA LEU 222 HA LEU 222 11.925 3.660 13.698 714 HB2 LEU 222 HB2 LEU 222 10.311 5.732 13.761 715 HB3 LEU 222 HB3 LEU 222 9.934 5.266 12.106 716 HG LEU 222 HG LEU 222 9.696 3.488 14.556 717 HD11 LEU 222 HD11 LEU 222 7.894 5.047 14.569 718 HD12 LEU 222 HD12 LEU 222 7.235 3.583 13.840 719 HD13 LEU 222 HD13 LEU 222 7.694 4.947 12.821 720 HD21 LEU 222 HD21 LEU 222 8.460 2.027 12.792 721 HD22 LEU 222 HD22 LEU 222 10.221 2.027 12.770 722 HD23 LEU 222 HD23 LEU 222 9.326 2.993 11.597 723 H LEU 223 H LEU 223 13.219 2.388 12.333 724 HA LEU 223 HA LEU 223 11.986 1.486 9.954 725 HB2 LEU 223 HB2 LEU 223 12.782 3.494 8.906 726 HB3 LEU 223 HB3 LEU 223 14.377 3.310 9.628 727 HG LEU 223 HG LEU 223 14.862 1.384 8.265 728 HD11 LEU 223 HD11 LEU 223 11.921 1.532 7.586 729 HD12 LEU 223 HD12 LEU 223 12.831 0.161 8.223 730 HD13 LEU 223 HD13 LEU 223 13.060 0.671 6.551 731 HD21 LEU 223 HD21 LEU 223 14.872 2.378 6.090 732 HD22 LEU 223 HD22 LEU 223 14.943 3.722 7.230 733 HD23 LEU 223 HD23 LEU 223 13.420 3.317 6.437 Start of MODEL 13 1 H1 GLY 1 H1 GLY 1 1.341 -16.145 -7.719 2 H2 GLY 1 H2 GLY 1 0.879 -17.770 -7.545 3 H3 GLY 1 H3 GLY 1 0.041 -16.552 -6.708 4 HA2 GLY 1 HA2 GLY 1 -0.300 -17.499 -9.397 5 HA3 GLY 1 HA3 GLY 1 -1.416 -16.594 -8.374 6 HA PRO 2 HA PRO 2 0.601 -13.800 -11.618 7 HB2 PRO 2 HB2 PRO 2 -1.464 -13.536 -13.373 8 HB3 PRO 2 HB3 PRO 2 -0.300 -14.873 -13.473 9 HG2 PRO 2 HG2 PRO 2 -3.054 -14.853 -12.308 10 HG3 PRO 2 HG3 PRO 2 -2.274 -16.077 -13.328 11 HD2 PRO 2 HD2 PRO 2 -2.470 -16.315 -10.596 12 HD3 PRO 2 HD3 PRO 2 -1.150 -17.043 -11.538 13 H ALA 3 H ALA 3 -0.056 -11.553 -12.113 14 HA ALA 3 HA ALA 3 -0.893 -9.506 -11.496 15 HB1 ALA 3 HB1 ALA 3 -3.359 -10.958 -10.540 16 HB2 ALA 3 HB2 ALA 3 -3.030 -10.698 -12.253 17 HB3 ALA 3 HB3 ALA 3 -3.234 -9.318 -11.175 18 H SER 4 H SER 4 0.379 -8.865 -9.826 19 HA SER 4 HA SER 4 1.126 -8.550 -7.667 20 HB2 SER 4 HB2 SER 4 -0.996 -7.267 -7.664 21 HB3 SER 4 HB3 SER 4 -1.847 -8.705 -7.107 22 HG SER 4 HG SER 4 -1.275 -8.071 -5.191 23 H VAL 5 H VAL 5 -0.333 -9.469 -5.274 24 HA VAL 5 HA VAL 5 -0.226 -12.386 -5.412 25 HB VAL 5 HB VAL 5 1.373 -12.387 -3.410 26 HG11 VAL 5 HG11 VAL 5 3.332 -12.376 -4.844 27 HG12 VAL 5 HG12 VAL 5 2.494 -11.398 -6.049 28 HG13 VAL 5 HG13 VAL 5 1.984 -13.060 -5.751 29 HG21 VAL 5 HG21 VAL 5 1.091 -9.855 -3.114 30 HG22 VAL 5 HG22 VAL 5 2.150 -9.679 -4.514 31 HG23 VAL 5 HG23 VAL 5 2.745 -10.466 -3.051 32 HA PRO 6 HA PRO 6 -3.512 -10.316 -2.702 33 HB2 PRO 6 HB2 PRO 6 -4.774 -12.839 -3.745 34 HB3 PRO 6 HB3 PRO 6 -5.506 -11.242 -3.479 35 HG2 PRO 6 HG2 PRO 6 -4.846 -12.039 -5.924 36 HG3 PRO 6 HG3 PRO 6 -4.598 -10.358 -5.417 37 HD2 PRO 6 HD2 PRO 6 -2.568 -12.519 -5.816 38 HD3 PRO 6 HD3 PRO 6 -2.398 -10.761 -6.020 39 H THR 7 H THR 7 -3.526 -10.736 -0.563 40 HA THR 7 HA THR 7 -3.605 -13.401 0.503 41 HB THR 7 HB THR 7 -1.090 -11.790 0.995 42 HG1 THR 7 HG1 THR 7 -0.386 -13.958 -0.073 43 HG21 THR 7 HG21 THR 7 -1.970 -14.558 1.858 44 HG22 THR 7 HG22 THR 7 -1.766 -13.154 2.905 45 HG23 THR 7 HG23 THR 7 -0.364 -13.883 2.125 46 H THR 8 H THR 8 -2.270 -10.274 1.596 47 HA THR 8 HA THR 8 -4.557 -9.658 3.207 48 HB THR 8 HB THR 8 -2.055 -10.464 4.702 49 HG1 THR 8 HG1 THR 8 -2.907 -12.375 4.907 50 HG21 THR 8 HG21 THR 8 -4.841 -9.639 5.555 51 HG22 THR 8 HG22 THR 8 -3.341 -8.756 5.842 52 HG23 THR 8 HG23 THR 8 -3.626 -10.298 6.650 53 H CYS 9 H CYS 9 -4.068 -7.815 1.752 54 HA CYS 9 HA CYS 9 -1.741 -6.245 1.979 55 HB2 CYS 9 HB2 CYS 9 -3.092 -4.449 0.978 56 HB3 CYS 9 HB3 CYS 9 -3.362 -5.982 0.148 57 H CYS 10 H CYS 10 -1.775 -3.951 2.851 58 HA CYS 10 HA CYS 10 -1.861 -3.903 5.594 59 HB2 CYS 10 HB2 CYS 10 -2.364 -1.277 5.072 60 HB3 CYS 10 HB3 CYS 10 -0.783 -2.020 4.843 61 H PHE 11 H PHE 11 -3.304 -2.836 7.104 62 HA PHE 11 HA PHE 11 -5.918 -3.790 7.038 63 HB2 PHE 11 HB2 PHE 11 -4.796 -1.424 8.558 64 HB3 PHE 11 HB3 PHE 11 -6.349 -2.191 8.891 65 HD1 PHE 11 HD2 PHE 11 -6.472 -4.450 9.831 66 HD2 PHE 11 HD1 PHE 11 -2.692 -2.560 9.058 67 HE1 PHE 11 HE2 PHE 11 -5.332 -6.164 11.213 68 HE2 PHE 11 HE1 PHE 11 -1.553 -4.274 10.441 69 HZ PHE 11 HZ PHE 11 -2.873 -6.076 11.518 70 H ASN 12 H ASN 12 -7.609 -1.702 7.682 71 HA ASN 12 HA ASN 12 -8.429 -0.820 5.111 72 HB2 ASN 12 HB2 ASN 12 -10.022 0.642 6.514 73 HB3 ASN 12 HB3 ASN 12 -10.157 -1.107 6.682 74 HD21 ASN 12 HD21 ASN 12 -7.281 0.068 8.120 75 HD22 ASN 12 HD22 ASN 12 -7.828 0.105 9.727 76 H LEU 13 H LEU 13 -7.167 0.548 4.012 77 HA LEU 13 HA LEU 13 -5.874 2.376 3.495 78 HB2 LEU 13 HB2 LEU 13 -7.538 3.981 5.414 79 HB3 LEU 13 HB3 LEU 13 -6.978 4.402 3.796 80 HG LEU 13 HG LEU 13 -9.127 2.379 4.490 81 HD11 LEU 13 HD11 LEU 13 -9.139 5.127 3.231 82 HD12 LEU 13 HD12 LEU 13 -10.024 4.580 4.656 83 HD13 LEU 13 HD13 LEU 13 -10.487 4.004 3.054 84 HD21 LEU 13 HD21 LEU 13 -7.778 3.118 1.882 85 HD22 LEU 13 HD22 LEU 13 -9.385 2.392 1.923 86 HD23 LEU 13 HD23 LEU 13 -8.004 1.510 2.570 87 H ALA 14 H ALA 14 -4.821 4.462 4.611 88 HA ALA 14 HA ALA 14 -3.229 3.421 6.870 89 HB1 ALA 14 HB1 ALA 14 -2.679 5.839 5.150 90 HB2 ALA 14 HB2 ALA 14 -2.095 4.221 4.764 91 HB3 ALA 14 HB3 ALA 14 -1.562 5.021 6.243 92 H ASN 15 H ASN 15 -2.742 6.662 6.747 93 HA ASN 15 HA ASN 15 -5.050 7.521 8.261 94 HB2 ASN 15 HB2 ASN 15 -2.390 7.604 9.689 95 HB3 ASN 15 HB3 ASN 15 -3.993 7.921 10.346 96 HD21 ASN 15 HD21 ASN 15 -5.060 6.165 11.306 97 HD22 ASN 15 HD22 ASN 15 -4.559 4.549 11.166 98 H ARG 16 H ARG 16 -1.651 8.552 8.332 99 HA ARG 16 HA ARG 16 -2.480 11.245 7.479 100 HB2 ARG 16 HB2 ARG 16 0.155 10.275 8.596 101 HB3 ARG 16 HB3 ARG 16 -0.311 11.952 8.334 102 HG2 ARG 16 HG2 ARG 16 -2.227 10.377 9.996 103 HG3 ARG 16 HG3 ARG 16 -0.647 10.619 10.725 104 HD2 ARG 16 HD2 ARG 16 -2.480 12.791 9.669 105 HD3 ARG 16 HD3 ARG 16 -2.146 12.441 11.362 106 HE ARG 16 HE ARG 16 0.323 12.915 10.201 107 HH11 ARG 16 HH21 ARG 16 -2.688 14.575 10.595 108 HH12 ARG 16 HH22 ARG 16 -1.971 16.153 10.632 109 HH21 ARG 16 HH11 ARG 16 1.269 14.980 10.248 110 HH22 ARG 16 HH12 ARG 16 0.269 16.381 10.435 111 H LYS 17 H LYS 17 -0.035 12.157 6.568 112 HA LYS 17 HA LYS 17 -0.040 11.123 3.852 113 HB2 LYS 17 HB2 LYS 17 -0.001 13.499 4.041 114 HB3 LYS 17 HB3 LYS 17 1.313 13.458 5.212 115 HG2 LYS 17 HG2 LYS 17 2.923 12.910 3.587 116 HG3 LYS 17 HG3 LYS 17 1.716 12.323 2.446 117 HD2 LYS 17 HD2 LYS 17 2.639 14.538 1.782 118 HD3 LYS 17 HD3 LYS 17 0.902 14.604 2.086 119 HE2 LYS 17 HE2 LYS 17 2.305 16.480 3.125 120 HE3 LYS 17 HE3 LYS 17 1.209 15.628 4.215 121 HZ1 LYS 17 HZ1 LYS 17 2.922 14.523 5.227 122 HZ2 LYS 17 HZ2 LYS 17 3.678 16.003 4.876 123 HZ3 LYS 17 HZ3 LYS 17 3.958 14.648 3.891 124 H ILE 18 H ILE 18 1.436 9.807 2.991 125 HA ILE 18 HA ILE 18 3.511 8.702 4.661 126 HB ILE 18 HB ILE 18 2.368 8.152 1.945 127 HG12 ILE 18 HG12 ILE 18 1.637 7.128 4.231 128 HG13 ILE 18 HG13 ILE 18 1.793 6.067 2.838 129 HG21 ILE 18 HG21 ILE 18 4.685 8.026 1.366 130 HG22 ILE 18 HG22 ILE 18 4.134 6.370 1.605 131 HG23 ILE 18 HG23 ILE 18 5.080 7.168 2.853 132 HD11 ILE 18 HD11 ILE 18 3.943 5.261 3.599 133 HD12 ILE 18 HD12 ILE 18 2.820 5.159 4.951 134 HD13 ILE 18 HD13 ILE 18 3.996 6.462 4.886 135 HA PRO 19 HA PRO 19 6.536 11.749 3.332 136 HB2 PRO 19 HB2 PRO 19 8.860 10.249 3.660 137 HB3 PRO 19 HB3 PRO 19 8.023 11.101 4.970 138 HG2 PRO 19 HG2 PRO 19 7.859 8.225 4.179 139 HG3 PRO 19 HG3 PRO 19 7.964 8.938 5.796 140 HD2 PRO 19 HD2 PRO 19 5.639 8.067 4.854 141 HD3 PRO 19 HD3 PRO 19 5.703 9.555 5.815 142 H LEU 20 H LEU 20 6.943 12.309 1.287 143 HA LEU 20 HA LEU 20 6.785 10.489 -0.873 144 HB2 LEU 20 HB2 LEU 20 7.445 13.393 -0.574 145 HB3 LEU 20 HB3 LEU 20 7.823 12.608 -2.107 146 HG LEU 20 HG LEU 20 5.483 11.835 -2.288 147 HD11 LEU 20 HD11 LEU 20 3.809 12.799 -0.691 148 HD12 LEU 20 HD12 LEU 20 5.150 13.379 0.297 149 HD13 LEU 20 HD13 LEU 20 4.912 11.648 0.061 150 HD21 LEU 20 HD21 LEU 20 5.494 14.799 -1.686 151 HD22 LEU 20 HD22 LEU 20 4.539 13.939 -2.895 152 HD23 LEU 20 HD23 LEU 20 6.280 14.126 -3.115 153 H GLN 21 H GLN 21 9.449 11.579 1.063 154 HA GLN 21 HA GLN 21 11.552 11.060 -0.767 155 HB2 GLN 21 HB2 GLN 21 12.939 10.882 1.376 156 HB3 GLN 21 HB3 GLN 21 12.085 12.402 1.109 157 HG2 GLN 21 HG2 GLN 21 10.319 11.747 2.622 158 HG3 GLN 21 HG3 GLN 21 10.985 10.120 2.760 159 HE21 GLN 21 HE21 GLN 21 13.705 11.924 2.646 160 HE22 GLN 21 HE22 GLN 21 13.921 12.257 4.296 161 H ARG 22 H ARG 22 9.588 8.944 1.157 162 HA ARG 22 HA ARG 22 11.474 6.696 0.755 163 HB2 ARG 22 HB2 ARG 22 9.106 7.076 2.594 164 HB3 ARG 22 HB3 ARG 22 9.937 5.535 2.394 165 HG2 ARG 22 HG2 ARG 22 11.830 6.236 3.518 166 HG3 ARG 22 HG3 ARG 22 11.685 7.897 2.954 167 HD2 ARG 22 HD2 ARG 22 10.144 8.469 4.623 168 HD3 ARG 22 HD3 ARG 22 9.679 6.792 4.914 169 HE ARG 22 HE ARG 22 11.405 6.680 6.448 170 HH11 ARG 22 HH21 ARG 22 11.977 9.214 4.161 171 HH12 ARG 22 HH22 ARG 22 13.436 9.758 4.921 172 HH21 ARG 22 HH11 ARG 22 13.319 7.386 7.446 173 HH22 ARG 22 HH12 ARG 22 14.194 8.724 6.781 174 H LEU 23 H LEU 23 8.082 7.628 0.254 175 HA LEU 23 HA LEU 23 7.001 5.347 -0.787 176 HB2 LEU 23 HB2 LEU 23 5.479 7.084 -0.629 177 HB3 LEU 23 HB3 LEU 23 6.607 8.260 -1.256 178 HG LEU 23 HG LEU 23 4.647 7.822 -2.731 179 HD11 LEU 23 HD11 LEU 23 5.885 8.466 -4.482 180 HD12 LEU 23 HD12 LEU 23 6.775 6.948 -4.536 181 HD13 LEU 23 HD13 LEU 23 7.303 8.243 -3.467 182 HD21 LEU 23 HD21 LEU 23 3.995 5.742 -3.224 183 HD22 LEU 23 HD22 LEU 23 5.315 5.078 -2.278 184 HD23 LEU 23 HD23 LEU 23 5.530 5.395 -3.990 185 H GLU 24 H GLU 24 7.006 4.257 -2.755 186 HA GLU 24 HA GLU 24 9.158 5.019 -4.658 187 HB2 GLU 24 HB2 GLU 24 9.595 2.897 -3.559 188 HB3 GLU 24 HB3 GLU 24 7.996 2.307 -4.005 189 HG2 GLU 24 HG2 GLU 24 8.536 2.261 -6.318 190 HG3 GLU 24 HG3 GLU 24 9.984 3.237 -6.077 191 H SER 25 H SER 25 6.148 3.088 -4.715 192 HA SER 25 HA SER 25 5.120 4.662 -6.949 193 HB2 SER 25 HB2 SER 25 6.615 2.794 -7.879 194 HB3 SER 25 HB3 SER 25 5.388 1.676 -7.288 195 HG SER 25 HG SER 25 4.921 3.880 -9.022 196 H TYR 26 H TYR 26 2.919 3.566 -7.667 197 HA TYR 26 HA TYR 26 1.505 2.647 -5.220 198 HB2 TYR 26 HB2 TYR 26 -0.391 3.958 -5.801 199 HB3 TYR 26 HB3 TYR 26 1.002 5.026 -5.935 200 HD1 TYR 26 HD2 TYR 26 1.984 5.509 -8.205 201 HD2 TYR 26 HD1 TYR 26 -1.734 3.423 -7.695 202 HE1 TYR 26 HE2 TYR 26 1.408 5.971 -10.570 203 HE2 TYR 26 HE1 TYR 26 -2.313 3.879 -10.065 204 HH TYR 26 HH TYR 26 -0.064 4.955 -12.332 205 H ARG 27 H ARG 27 -0.414 1.358 -5.592 206 HA ARG 27 HA ARG 27 -0.901 0.212 -8.186 207 HB2 ARG 27 HB2 ARG 27 1.224 -0.918 -6.935 208 HB3 ARG 27 HB3 ARG 27 -0.061 -1.885 -6.223 209 HG2 ARG 27 HG2 ARG 27 0.335 -1.475 -9.209 210 HG3 ARG 27 HG3 ARG 27 0.877 -2.892 -8.311 211 HD2 ARG 27 HD2 ARG 27 -1.577 -3.102 -7.532 212 HD3 ARG 27 HD3 ARG 27 -1.948 -1.980 -8.840 213 HE ARG 27 HE ARG 27 -1.233 -4.756 -9.114 214 HH11 ARG 27 HH21 ARG 27 -1.160 -1.616 -10.567 215 HH12 ARG 27 HH22 ARG 27 -1.095 -2.216 -12.190 216 HH21 ARG 27 HH11 ARG 27 -1.148 -5.551 -11.241 217 HH22 ARG 27 HH12 ARG 27 -1.087 -4.444 -12.572 218 H ARG 28 H ARG 28 -2.977 -0.496 -8.277 219 HA ARG 28 HA ARG 28 -4.627 -0.198 -5.939 220 HB2 ARG 28 HB2 ARG 28 -5.022 -0.019 -8.697 221 HB3 ARG 28 HB3 ARG 28 -5.916 -1.472 -8.263 222 HG2 ARG 28 HG2 ARG 28 -7.123 -0.196 -6.516 223 HG3 ARG 28 HG3 ARG 28 -6.228 1.256 -6.962 224 HD2 ARG 28 HD2 ARG 28 -8.545 1.033 -7.999 225 HD3 ARG 28 HD3 ARG 28 -7.226 1.328 -9.127 226 HE ARG 28 HE ARG 28 -7.655 -1.470 -8.810 227 HH11 ARG 28 HH21 ARG 28 -8.969 1.403 -10.222 228 HH12 ARG 28 HH22 ARG 28 -9.754 0.570 -11.524 229 HH21 ARG 28 HH11 ARG 28 -8.681 -2.568 -10.513 230 HH22 ARG 28 HH12 ARG 28 -9.590 -1.678 -11.688 231 H ILE 29 H ILE 29 -6.077 -1.826 -5.104 232 HA ILE 29 HA ILE 29 -4.854 -4.519 -5.114 233 HB ILE 29 HB ILE 29 -6.904 -4.173 -3.055 234 HG12 ILE 29 HG12 ILE 29 -4.653 -2.130 -3.030 235 HG13 ILE 29 HG13 ILE 29 -6.348 -1.767 -3.329 236 HG21 ILE 29 HG21 ILE 29 -5.147 -5.839 -2.902 237 HG22 ILE 29 HG22 ILE 29 -4.952 -4.702 -1.571 238 HG23 ILE 29 HG23 ILE 29 -3.900 -4.597 -2.981 239 HD11 ILE 29 HD11 ILE 29 -5.459 -3.142 -0.790 240 HD12 ILE 29 HD12 ILE 29 -6.985 -2.326 -1.117 241 HD13 ILE 29 HD13 ILE 29 -5.502 -1.385 -0.938 242 H THR 30 H THR 30 -8.157 -3.282 -4.562 243 HA THR 30 HA THR 30 -10.196 -4.049 -5.292 244 HB THR 30 HB THR 30 -10.417 -4.418 -7.628 245 HG1 THR 30 HG1 THR 30 -8.811 -5.229 -8.854 246 HG21 THR 30 HG21 THR 30 -7.897 -2.766 -7.476 247 HG22 THR 30 HG22 THR 30 -9.426 -2.173 -6.825 248 HG23 THR 30 HG23 THR 30 -9.286 -2.553 -8.542 249 H SER 31 H SER 31 -8.110 -5.943 -4.052 250 HA SER 31 HA SER 31 -8.730 -8.535 -5.133 251 HB2 SER 31 HB2 SER 31 -6.621 -7.871 -3.841 252 HB3 SER 31 HB3 SER 31 -7.611 -7.979 -2.387 253 HG SER 31 HG SER 31 -7.143 -10.015 -4.314 254 H GLY 32 H GLY 32 -9.394 -10.208 -3.239 255 HA2 GLY 32 HA2 GLY 32 -12.151 -9.562 -2.665 256 HA3 GLY 32 HA3 GLY 32 -11.337 -11.083 -2.315 257 H LYS 33 H LYS 33 -9.520 -10.779 -0.571 258 HA LYS 33 HA LYS 33 -10.723 -10.234 1.874 259 HB2 LYS 33 HB2 LYS 33 -7.772 -10.125 1.205 260 HB3 LYS 33 HB3 LYS 33 -8.457 -10.289 2.822 261 HG2 LYS 33 HG2 LYS 33 -9.415 -12.429 2.287 262 HG3 LYS 33 HG3 LYS 33 -9.031 -12.237 0.576 263 HD2 LYS 33 HD2 LYS 33 -6.609 -12.208 1.151 264 HD3 LYS 33 HD3 LYS 33 -7.029 -12.495 2.840 265 HE2 LYS 33 HE2 LYS 33 -6.464 -14.620 1.781 266 HE3 LYS 33 HE3 LYS 33 -8.186 -14.597 2.158 267 HZ1 LYS 33 HZ1 LYS 33 -7.051 -13.872 -0.486 268 HZ2 LYS 33 HZ2 LYS 33 -8.694 -14.050 -0.092 269 HZ3 LYS 33 HZ3 LYS 33 -7.669 -15.405 -0.105 270 H CYS 34 H CYS 34 -8.343 -8.200 0.153 271 HA CYS 34 HA CYS 34 -8.295 -6.036 1.857 272 HB2 CYS 34 HB2 CYS 34 -8.165 -6.052 -1.167 273 HB3 CYS 34 HB3 CYS 34 -7.699 -4.686 -0.156 274 HA PRO 35 HA PRO 35 -12.384 -4.318 1.547 275 HB2 PRO 35 HB2 PRO 35 -11.933 -1.710 2.222 276 HB3 PRO 35 HB3 PRO 35 -11.826 -3.034 3.401 277 HG2 PRO 35 HG2 PRO 35 -9.630 -1.646 1.918 278 HG3 PRO 35 HG3 PRO 35 -9.714 -2.105 3.629 279 HD2 PRO 35 HD2 PRO 35 -8.352 -3.591 1.789 280 HD3 PRO 35 HD3 PRO 35 -9.144 -4.321 3.202 281 H GLN 36 H GLN 36 -13.121 -1.752 0.752 282 HA GLN 36 HA GLN 36 -13.501 -1.890 -1.943 283 HB2 GLN 36 HB2 GLN 36 -13.776 0.587 -1.911 284 HB3 GLN 36 HB3 GLN 36 -14.619 -0.217 -0.586 285 HG2 GLN 36 HG2 GLN 36 -12.592 0.236 0.858 286 HG3 GLN 36 HG3 GLN 36 -11.962 1.231 -0.453 287 HE21 GLN 36 HE21 GLN 36 -12.842 2.108 2.283 288 HE22 GLN 36 HE22 GLN 36 -14.061 3.258 2.014 289 H LYS 37 H LYS 37 -12.530 -0.922 -3.789 290 HA LYS 37 HA LYS 37 -9.869 -1.374 -4.224 291 HB2 LYS 37 HB2 LYS 37 -11.364 0.929 -5.487 292 HB3 LYS 37 HB3 LYS 37 -10.039 -0.003 -6.184 293 HG2 LYS 37 HG2 LYS 37 -11.580 -2.058 -5.905 294 HG3 LYS 37 HG3 LYS 37 -12.879 -0.890 -5.664 295 HD2 LYS 37 HD2 LYS 37 -11.084 -1.110 -8.097 296 HD3 LYS 37 HD3 LYS 37 -12.799 -1.511 -8.018 297 HE2 LYS 37 HE2 LYS 37 -12.769 0.657 -8.955 298 HE3 LYS 37 HE3 LYS 37 -13.134 0.941 -7.254 299 HZ1 LYS 37 HZ1 LYS 37 -11.087 2.054 -8.666 300 HZ2 LYS 37 HZ2 LYS 37 -10.324 0.830 -7.768 301 HZ3 LYS 37 HZ3 LYS 37 -11.232 2.029 -6.977 302 H ALA 38 H ALA 38 -7.953 -0.247 -4.034 303 HA ALA 38 HA ALA 38 -7.879 2.493 -3.163 304 HB1 ALA 38 HB1 ALA 38 -6.583 1.791 -1.011 305 HB2 ALA 38 HB2 ALA 38 -7.421 0.253 -1.212 306 HB3 ALA 38 HB3 ALA 38 -8.346 1.738 -0.995 307 H VAL 39 H VAL 39 -5.894 3.419 -3.517 308 HA VAL 39 HA VAL 39 -3.973 1.832 -4.995 309 HB VAL 39 HB VAL 39 -2.885 3.909 -5.465 310 HG11 VAL 39 HG11 VAL 39 -4.658 5.114 -6.502 311 HG12 VAL 39 HG12 VAL 39 -5.819 4.608 -5.275 312 HG13 VAL 39 HG13 VAL 39 -5.206 3.440 -6.446 313 HG21 VAL 39 HG21 VAL 39 -3.783 6.018 -4.284 314 HG22 VAL 39 HG22 VAL 39 -2.724 4.965 -3.345 315 HG23 VAL 39 HG23 VAL 39 -4.471 4.909 -3.095 316 H ILE 40 H ILE 40 -2.262 0.831 -4.146 317 HA ILE 40 HA ILE 40 -1.581 1.302 -1.328 318 HB ILE 40 HB ILE 40 -1.067 -0.933 -3.283 319 HG12 ILE 40 HG12 ILE 40 -2.168 -0.998 -0.468 320 HG13 ILE 40 HG13 ILE 40 -3.188 -0.727 -1.882 321 HG21 ILE 40 HG21 ILE 40 0.328 -0.429 -0.649 322 HG22 ILE 40 HG22 ILE 40 1.058 -0.782 -2.212 323 HG23 ILE 40 HG23 ILE 40 0.180 -2.040 -1.346 324 HD11 ILE 40 HD11 ILE 40 -1.424 -3.140 -1.382 325 HD12 ILE 40 HD12 ILE 40 -2.349 -2.859 -2.856 326 HD13 ILE 40 HD13 ILE 40 -3.186 -3.106 -1.323 327 H PHE 41 H PHE 41 -0.094 2.853 -1.001 328 HA PHE 41 HA PHE 41 2.013 3.365 -2.944 329 HB2 PHE 41 HB2 PHE 41 1.539 4.552 -0.193 330 HB3 PHE 41 HB3 PHE 41 2.730 5.112 -1.364 331 HD1 PHE 41 HD2 PHE 41 1.751 5.593 -3.799 332 HD2 PHE 41 HD1 PHE 41 -0.550 5.587 -0.176 333 HE1 PHE 41 HE2 PHE 41 0.031 7.008 -4.889 334 HE2 PHE 41 HE1 PHE 41 -2.253 6.998 -1.258 335 HZ PHE 41 HZ PHE 41 -1.975 7.709 -3.618 336 H LYS 42 H LYS 42 3.830 2.194 -2.975 337 HA LYS 42 HA LYS 42 4.637 0.715 -0.549 338 HB2 LYS 42 HB2 LYS 42 6.242 -0.383 -2.251 339 HB3 LYS 42 HB3 LYS 42 4.524 -0.763 -2.369 340 HG2 LYS 42 HG2 LYS 42 4.215 0.705 -4.215 341 HG3 LYS 42 HG3 LYS 42 5.776 1.483 -3.956 342 HD2 LYS 42 HD2 LYS 42 5.805 -0.136 -5.861 343 HD3 LYS 42 HD3 LYS 42 6.949 -0.556 -4.586 344 HE2 LYS 42 HE2 LYS 42 5.457 -2.451 -5.528 345 HE3 LYS 42 HE3 LYS 42 5.585 -2.306 -3.775 346 HZ1 LYS 42 HZ1 LYS 42 3.270 -2.434 -5.059 347 HZ2 LYS 42 HZ2 LYS 42 3.485 -0.749 -5.047 348 HZ3 LYS 42 HZ3 LYS 42 3.464 -1.616 -3.586 349 H THR 43 H THR 43 6.329 1.329 0.613 350 HA THR 43 HA THR 43 8.192 3.346 -0.524 351 HB THR 43 HB THR 43 8.089 4.544 1.418 352 HG1 THR 43 HG1 THR 43 7.555 3.035 3.413 353 HG21 THR 43 HG21 THR 43 5.678 2.787 1.940 354 HG22 THR 43 HG22 THR 43 5.696 4.178 0.855 355 HG23 THR 43 HG23 THR 43 5.954 4.406 2.586 356 H LYS 44 H LYS 44 10.274 3.322 1.016 357 HA LYS 44 HA LYS 44 11.443 0.684 0.617 358 HB2 LYS 44 HB2 LYS 44 13.554 1.771 1.122 359 HB3 LYS 44 HB3 LYS 44 12.654 2.760 -0.029 360 HG2 LYS 44 HG2 LYS 44 11.753 4.030 2.015 361 HG3 LYS 44 HG3 LYS 44 13.018 3.218 2.936 362 HD2 LYS 44 HD2 LYS 44 13.503 4.897 0.457 363 HD3 LYS 44 HD3 LYS 44 13.730 5.463 2.111 364 HE2 LYS 44 HE2 LYS 44 15.294 3.440 2.409 365 HE3 LYS 44 HE3 LYS 44 15.262 3.308 0.650 366 HZ1 LYS 44 HZ1 LYS 44 17.116 4.671 1.556 367 HZ2 LYS 44 HZ2 LYS 44 15.967 5.800 2.096 368 HZ3 LYS 44 HZ3 LYS 44 16.139 5.485 0.436 369 H LEU 45 H LEU 45 9.518 1.716 2.933 370 HA LEU 45 HA LEU 45 10.945 1.401 5.342 371 HB2 LEU 45 HB2 LEU 45 8.096 1.463 4.514 372 HB3 LEU 45 HB3 LEU 45 8.401 0.588 6.007 373 HG LEU 45 HG LEU 45 7.876 2.938 6.459 374 HD11 LEU 45 HD11 LEU 45 10.790 2.895 7.092 375 HD12 LEU 45 HD12 LEU 45 9.833 1.526 7.661 376 HD13 LEU 45 HD13 LEU 45 9.401 3.164 8.142 377 HD21 LEU 45 HD21 LEU 45 10.103 3.438 4.494 378 HD22 LEU 45 HD22 LEU 45 9.802 4.608 5.775 379 HD23 LEU 45 HD23 LEU 45 8.528 4.216 4.626 380 H ALA 46 H ALA 46 8.378 -0.923 4.786 381 HA ALA 46 HA ALA 46 9.985 -3.186 4.250 382 HB1 ALA 46 HB1 ALA 46 9.435 -2.595 7.157 383 HB2 ALA 46 HB2 ALA 46 10.981 -2.956 6.392 384 HB3 ALA 46 HB3 ALA 46 9.771 -4.225 6.574 385 H LYS 47 H LYS 47 7.122 -1.700 4.369 386 HA LYS 47 HA LYS 47 5.669 -4.171 3.916 387 HB2 LYS 47 HB2 LYS 47 4.113 -4.045 5.648 388 HB3 LYS 47 HB3 LYS 47 5.612 -3.612 6.457 389 HG2 LYS 47 HG2 LYS 47 3.484 -1.677 5.468 390 HG3 LYS 47 HG3 LYS 47 3.823 -2.088 7.139 391 HD2 LYS 47 HD2 LYS 47 5.765 -0.727 5.246 392 HD3 LYS 47 HD3 LYS 47 4.853 0.069 6.523 393 HE2 LYS 47 HE2 LYS 47 7.139 -1.872 6.773 394 HE3 LYS 47 HE3 LYS 47 6.911 -0.319 7.568 395 HZ1 LYS 47 HZ1 LYS 47 5.760 -2.931 8.226 396 HZ2 LYS 47 HZ2 LYS 47 4.855 -1.537 8.577 397 HZ3 LYS 47 HZ3 LYS 47 6.400 -1.742 9.253 398 H ASP 48 H ASP 48 3.334 -3.684 3.329 399 HA ASP 48 HA ASP 48 3.343 -1.464 1.420 400 HB2 ASP 48 HB2 ASP 48 1.150 -2.562 0.715 401 HB3 ASP 48 HB3 ASP 48 2.614 -3.515 0.481 402 H ILE 49 H ILE 49 1.794 0.156 1.361 403 HA ILE 49 HA ILE 49 0.236 0.574 3.858 404 HB ILE 49 HB ILE 49 1.275 2.666 1.933 405 HG12 ILE 49 HG12 ILE 49 3.188 1.592 2.967 406 HG13 ILE 49 HG13 ILE 49 2.942 3.152 3.745 407 HG21 ILE 49 HG21 ILE 49 0.837 4.120 3.995 408 HG22 ILE 49 HG22 ILE 49 -0.079 2.755 4.631 409 HG23 ILE 49 HG23 ILE 49 -0.580 3.531 3.128 410 HD11 ILE 49 HD11 ILE 49 1.521 1.802 5.473 411 HD12 ILE 49 HD12 ILE 49 3.277 1.707 5.564 412 HD13 ILE 49 HD13 ILE 49 2.364 0.399 4.819 413 H CYS 50 H CYS 50 -1.927 1.017 3.679 414 HA CYS 50 HA CYS 50 -3.113 0.839 0.971 415 HB2 CYS 50 HB2 CYS 50 -4.262 0.431 3.742 416 HB3 CYS 50 HB3 CYS 50 -5.242 0.470 2.278 417 H ALA 51 H ALA 51 -4.752 2.326 0.329 418 HA ALA 51 HA ALA 51 -5.551 4.537 1.919 419 HB1 ALA 51 HB1 ALA 51 -3.003 4.909 1.118 420 HB2 ALA 51 HB2 ALA 51 -4.141 6.240 1.306 421 HB3 ALA 51 HB3 ALA 51 -3.831 5.562 -0.293 422 H ASP 52 H ASP 52 -7.392 5.337 1.104 423 HA ASP 52 HA ASP 52 -8.313 4.344 -1.468 424 HB2 ASP 52 HB2 ASP 52 -9.550 4.628 0.915 425 HB3 ASP 52 HB3 ASP 52 -10.012 6.162 0.194 426 HA PRO 53 HA PRO 53 -7.418 8.178 -3.609 427 HB2 PRO 53 HB2 PRO 53 -9.192 8.002 -5.700 428 HB3 PRO 53 HB3 PRO 53 -7.694 7.053 -5.604 429 HG2 PRO 53 HG2 PRO 53 -10.489 6.240 -4.929 430 HG3 PRO 53 HG3 PRO 53 -9.231 5.339 -5.796 431 HD2 PRO 53 HD2 PRO 53 -9.790 4.865 -3.183 432 HD3 PRO 53 HD3 PRO 53 -8.147 4.695 -3.842 433 H LYS 54 H LYS 54 -8.430 9.163 -1.581 434 HA LYS 54 HA LYS 54 -10.534 11.004 -2.435 435 HB2 LYS 54 HB2 LYS 54 -10.788 9.170 -0.033 436 HB3 LYS 54 HB3 LYS 54 -11.702 10.665 -0.186 437 HG2 LYS 54 HG2 LYS 54 -13.266 9.328 -1.208 438 HG3 LYS 54 HG3 LYS 54 -12.244 9.517 -2.626 439 HD2 LYS 54 HD2 LYS 54 -10.966 7.440 -1.712 440 HD3 LYS 54 HD3 LYS 54 -12.388 7.201 -0.699 441 HE2 LYS 54 HE2 LYS 54 -12.561 5.924 -2.818 442 HE3 LYS 54 HE3 LYS 54 -13.823 7.149 -2.695 443 HZ1 LYS 54 HZ1 LYS 54 -12.599 7.011 -4.877 444 HZ2 LYS 54 HZ2 LYS 54 -11.252 7.658 -4.068 445 HZ3 LYS 54 HZ3 LYS 54 -12.693 8.551 -4.173 446 H LYS 55 H LYS 55 -8.510 9.968 0.315 447 HA LYS 55 HA LYS 55 -8.345 12.508 1.522 448 HB2 LYS 55 HB2 LYS 55 -5.887 11.007 1.937 449 HB3 LYS 55 HB3 LYS 55 -7.179 11.336 3.081 450 HG2 LYS 55 HG2 LYS 55 -8.483 9.434 2.094 451 HG3 LYS 55 HG3 LYS 55 -7.104 9.072 1.065 452 HD2 LYS 55 HD2 LYS 55 -6.726 7.620 2.856 453 HD3 LYS 55 HD3 LYS 55 -5.764 9.012 3.333 454 HE2 LYS 55 HE2 LYS 55 -7.169 8.140 5.197 455 HE3 LYS 55 HE3 LYS 55 -7.567 9.805 4.787 456 HZ1 LYS 55 HZ1 LYS 55 -9.541 9.200 3.839 457 HZ2 LYS 55 HZ2 LYS 55 -9.427 8.017 5.054 458 HZ3 LYS 55 HZ3 LYS 55 -9.017 7.634 3.449 459 H LYS 56 H LYS 56 -6.737 14.121 1.390 460 HA LYS 56 HA LYS 56 -5.976 14.843 -1.183 461 HB2 LYS 56 HB2 LYS 56 -6.180 16.314 0.886 462 HB3 LYS 56 HB3 LYS 56 -4.545 15.791 1.294 463 HG2 LYS 56 HG2 LYS 56 -3.909 16.519 -1.100 464 HG3 LYS 56 HG3 LYS 56 -5.460 17.358 -1.122 465 HD2 LYS 56 HD2 LYS 56 -4.724 18.438 1.090 466 HD3 LYS 56 HD3 LYS 56 -3.109 17.835 0.714 467 HE2 LYS 56 HE2 LYS 56 -3.105 19.060 -1.401 468 HE3 LYS 56 HE3 LYS 56 -4.758 19.604 -1.115 469 HZ1 LYS 56 HZ1 LYS 56 -2.314 20.662 -0.109 470 HZ2 LYS 56 HZ2 LYS 56 -3.383 20.284 1.155 471 HZ3 LYS 56 HZ3 LYS 56 -3.869 21.339 -0.085 472 H TRP 57 H TRP 57 -3.729 13.701 1.389 473 HA TRP 57 HA TRP 57 -1.449 13.736 -0.201 474 HB2 TRP 57 HB2 TRP 57 -0.379 12.415 1.440 475 HB3 TRP 57 HB3 TRP 57 -1.561 13.388 2.302 476 HD1 TRP 57 HD1 TRP 57 -3.736 12.165 3.228 477 HE1 TRP 57 HE1 TRP 57 -4.195 9.693 3.783 478 HE3 TRP 57 HE3 TRP 57 0.142 9.947 0.731 479 HZ2 TRP 57 HZ2 TRP 57 -3.080 7.120 3.239 480 HZ3 TRP 57 HZ3 TRP 57 0.416 7.488 0.772 481 HH2 TRP 57 HH2 TRP 57 -1.189 6.072 2.024 482 H VAL 58 H VAL 58 -4.074 11.484 -0.306 483 HA VAL 58 HA VAL 58 -2.576 9.347 -1.506 484 HB VAL 58 HB VAL 58 -5.544 9.937 -1.407 485 HG11 VAL 58 HG11 VAL 58 -5.752 7.513 -2.119 486 HG12 VAL 58 HG12 VAL 58 -4.046 7.566 -2.544 487 HG13 VAL 58 HG13 VAL 58 -5.186 8.606 -3.380 488 HG21 VAL 58 HG21 VAL 58 -4.800 9.359 0.760 489 HG22 VAL 58 HG22 VAL 58 -3.650 8.180 0.156 490 HG23 VAL 58 HG23 VAL 58 -5.376 7.832 0.103 491 H GLN 59 H GLN 59 -4.905 11.714 -2.835 492 HA GLN 59 HA GLN 59 -4.409 10.973 -5.530 493 HB2 GLN 59 HB2 GLN 59 -5.364 13.741 -4.907 494 HB3 GLN 59 HB3 GLN 59 -5.960 12.584 -6.098 495 HG2 GLN 59 HG2 GLN 59 -6.674 11.200 -3.961 496 HG3 GLN 59 HG3 GLN 59 -6.562 12.759 -3.157 497 HE21 GLN 59 HE21 GLN 59 -8.690 10.774 -4.865 498 HE22 GLN 59 HE22 GLN 59 -9.817 11.956 -5.327 499 H ASP 60 H ASP 60 -2.945 13.312 -3.371 500 HA ASP 60 HA ASP 60 -1.486 14.730 -5.374 501 HB2 ASP 60 HB2 ASP 60 -2.083 15.512 -3.008 502 HB3 ASP 60 HB3 ASP 60 -0.728 14.524 -2.464 503 H SER 61 H SER 61 -0.668 12.058 -3.174 504 HA SER 61 HA SER 61 2.074 11.942 -3.684 505 HB2 SER 61 HB2 SER 61 0.138 9.739 -2.974 506 HB3 SER 61 HB3 SER 61 1.889 9.543 -2.996 507 HG SER 61 HG SER 61 0.769 11.704 -1.607 508 H MET 62 H MET 62 -0.532 10.083 -5.332 509 HA MET 62 HA MET 62 1.243 8.807 -7.137 510 HB2 MET 62 HB2 MET 62 -0.848 8.436 -8.528 511 HB3 MET 62 HB3 MET 62 -0.906 7.818 -6.880 512 HG2 MET 62 HG2 MET 62 -2.341 9.519 -6.159 513 HG3 MET 62 HG3 MET 62 -1.914 10.588 -7.488 514 HE1 MET 62 HE1 MET 62 -4.437 8.373 -6.032 515 HE2 MET 62 HE2 MET 62 -3.398 7.087 -6.639 516 HE3 MET 62 HE3 MET 62 -5.018 7.288 -7.303 517 H LYS 63 H LYS 63 -0.441 11.895 -7.233 518 HA LYS 63 HA LYS 63 0.001 12.458 -9.970 519 HB2 LYS 63 HB2 LYS 63 -1.608 13.761 -8.708 520 HB3 LYS 63 HB3 LYS 63 -0.358 14.298 -7.589 521 HG2 LYS 63 HG2 LYS 63 -0.948 16.016 -9.315 522 HG3 LYS 63 HG3 LYS 63 0.752 15.561 -9.349 523 HD2 LYS 63 HD2 LYS 63 0.500 14.276 -11.314 524 HD3 LYS 63 HD3 LYS 63 -1.249 14.155 -11.120 525 HE2 LYS 63 HE2 LYS 63 -1.416 16.615 -11.527 526 HE3 LYS 63 HE3 LYS 63 0.320 16.648 -11.832 527 HZ1 LYS 63 HZ1 LYS 63 -0.272 16.238 -13.932 528 HZ2 LYS 63 HZ2 LYS 63 -1.827 15.701 -13.507 529 HZ3 LYS 63 HZ3 LYS 63 -0.504 14.639 -13.416 530 H TYR 64 H TYR 64 1.884 13.004 -7.043 531 HA TYR 64 HA TYR 64 3.961 14.535 -8.205 532 HB2 TYR 64 HB2 TYR 64 4.244 14.686 -5.941 533 HB3 TYR 64 HB3 TYR 64 3.409 13.165 -5.661 534 HD1 TYR 64 HD1 TYR 64 6.603 14.181 -7.374 535 HD2 TYR 64 HD2 TYR 64 4.711 11.622 -4.486 536 HE1 TYR 64 HE1 TYR 64 8.778 13.083 -6.917 537 HE2 TYR 64 HE2 TYR 64 6.888 10.531 -4.025 538 HH TYR 64 HH TYR 64 9.413 11.290 -4.269 539 H LEU 65 H LEU 65 3.303 11.103 -8.014 540 HA LEU 65 HA LEU 65 5.882 10.257 -8.945 541 HB2 LEU 65 HB2 LEU 65 3.210 8.917 -8.560 542 HB3 LEU 65 HB3 LEU 65 4.516 8.075 -9.393 543 HG LEU 65 HG LEU 65 5.114 9.394 -6.751 544 HD11 LEU 65 HD11 LEU 65 4.532 7.071 -5.729 545 HD12 LEU 65 HD12 LEU 65 3.503 6.884 -7.146 546 HD13 LEU 65 HD13 LEU 65 3.221 8.214 -6.025 547 HD21 LEU 65 HD21 LEU 65 6.070 6.697 -7.699 548 HD22 LEU 65 HD22 LEU 65 6.891 7.870 -6.671 549 HD23 LEU 65 HD23 LEU 65 6.761 8.159 -8.403 550 H ASP 66 H ASP 66 3.055 11.504 -10.402 551 HA ASP 66 HA ASP 66 3.265 10.308 -12.969 552 HB2 ASP 66 HB2 ASP 66 1.306 11.630 -11.883 553 HB3 ASP 66 HB3 ASP 66 2.135 13.060 -12.489 554 H GLN 67 H GLN 67 4.744 13.121 -11.470 555 HA GLN 67 HA GLN 67 5.725 14.362 -13.812 556 HB2 GLN 67 HB2 GLN 67 6.973 14.414 -11.058 557 HB3 GLN 67 HB3 GLN 67 7.172 15.611 -12.339 558 HG2 GLN 67 HG2 GLN 67 4.779 16.149 -12.234 559 HG3 GLN 67 HG3 GLN 67 4.546 14.924 -10.988 560 HE21 GLN 67 HE21 GLN 67 4.155 16.125 -9.102 561 HE22 GLN 67 HE22 GLN 67 5.158 17.373 -8.539 562 H LYS 68 H LYS 68 7.388 12.211 -11.488 563 HA LYS 68 HA LYS 68 9.699 11.978 -13.199 564 HB2 LYS 68 HB2 LYS 68 10.475 10.337 -11.510 565 HB3 LYS 68 HB3 LYS 68 9.991 11.873 -10.793 566 HG2 LYS 68 HG2 LYS 68 7.720 10.855 -10.355 567 HG3 LYS 68 HG3 LYS 68 8.379 9.307 -10.874 568 HD2 LYS 68 HD2 LYS 68 9.725 10.921 -8.699 569 HD3 LYS 68 HD3 LYS 68 8.387 9.837 -8.332 570 HE2 LYS 68 HE2 LYS 68 9.658 7.979 -9.445 571 HE3 LYS 68 HE3 LYS 68 11.023 9.081 -9.624 572 HZ1 LYS 68 HZ1 LYS 68 10.918 9.413 -7.177 573 HZ2 LYS 68 HZ2 LYS 68 11.350 7.838 -7.649 574 HZ3 LYS 68 HZ3 LYS 68 9.775 8.161 -7.097 575 H SER 69 H SER 69 6.702 10.297 -12.826 576 HA SER 69 HA SER 69 5.888 8.336 -13.740 577 HB2 SER 69 HB2 SER 69 6.020 9.709 -15.735 578 HB3 SER 69 HB3 SER 69 7.719 9.297 -15.944 579 HG SER 69 HG SER 69 5.423 7.686 -16.236 580 HA PRO 70 HA PRO 70 9.588 5.747 -12.821 581 HB2 PRO 70 HB2 PRO 70 8.566 4.252 -10.824 582 HB3 PRO 70 HB3 PRO 70 9.096 5.925 -10.548 583 HG2 PRO 70 HG2 PRO 70 6.334 4.851 -10.902 584 HG3 PRO 70 HG3 PRO 70 6.921 6.106 -9.796 585 HD2 PRO 70 HD2 PRO 70 5.652 6.606 -12.238 586 HD3 PRO 70 HD3 PRO 70 6.681 7.773 -11.378 587 H THR 71 H THR 71 6.501 5.184 -14.043 588 HA THR 71 HA THR 71 5.551 3.490 -15.270 589 HB THR 71 HB THR 71 8.401 2.516 -15.559 590 HG1 THR 71 HG1 THR 71 7.006 4.673 -16.601 591 HG21 THR 71 HG21 THR 71 7.546 1.614 -17.696 592 HG22 THR 71 HG22 THR 71 5.933 2.199 -17.291 593 HG23 THR 71 HG23 THR 71 6.681 0.932 -16.319 594 HA PRO 72 HA PRO 72 5.675 0.860 -11.390 595 HB2 PRO 72 HB2 PRO 72 2.850 0.644 -12.397 596 HB3 PRO 72 HB3 PRO 72 3.441 0.796 -10.728 597 HG2 PRO 72 HG2 PRO 72 2.398 2.886 -11.984 598 HG3 PRO 72 HG3 PRO 72 3.812 3.074 -10.928 599 HD2 PRO 72 HD2 PRO 72 3.681 3.111 -13.920 600 HD3 PRO 72 HD3 PRO 72 4.773 3.995 -12.830 601 H LYS 73 H LYS 73 6.512 -1.123 -11.673 602 HA LYS 73 HA LYS 73 5.175 -3.099 -13.298 603 HB2 LYS 73 HB2 LYS 73 6.629 -1.760 -14.913 604 HB3 LYS 73 HB3 LYS 73 8.019 -2.423 -14.054 605 HG2 LYS 73 HG2 LYS 73 7.176 -4.719 -14.509 606 HG3 LYS 73 HG3 LYS 73 5.844 -4.023 -15.434 607 HD2 LYS 73 HD2 LYS 73 7.370 -3.062 -17.042 608 HD3 LYS 73 HD3 LYS 73 8.764 -3.517 -16.061 609 HE2 LYS 73 HE2 LYS 73 8.571 -5.153 -17.819 610 HE3 LYS 73 HE3 LYS 73 8.044 -5.929 -16.326 611 HZ1 LYS 73 HZ1 LYS 73 6.037 -4.561 -17.958 612 HZ2 LYS 73 HZ2 LYS 73 5.880 -5.939 -16.976 613 HZ3 LYS 73 HZ3 LYS 73 6.616 -6.059 -18.503 614 HA PRO 74 HA PRO 74 7.826 -4.534 -9.699 615 HB2 PRO 74 HB2 PRO 74 5.845 -5.269 -7.985 616 HB3 PRO 74 HB3 PRO 74 6.439 -3.599 -8.084 617 HG2 PRO 74 HG2 PRO 74 3.990 -4.806 -9.303 618 HG3 PRO 74 HG3 PRO 74 4.187 -3.242 -8.488 619 HD2 PRO 74 HD2 PRO 74 4.162 -3.512 -11.227 620 HD3 PRO 74 HD3 PRO 74 5.035 -2.210 -10.388 621 H1 VAL 208 H1 VAL 208 -9.984 17.238 14.617 622 H2 VAL 208 H2 VAL 208 -11.079 16.263 15.476 623 H3 VAL 208 H3 VAL 208 -11.610 17.702 14.745 624 HA VAL 208 HA VAL 208 -12.048 16.663 12.859 625 HB VAL 208 HB VAL 208 -10.232 15.470 11.655 626 HG11 VAL 208 HG11 VAL 208 -10.311 17.896 11.492 627 HG12 VAL 208 HG12 VAL 208 -8.625 17.394 11.615 628 HG13 VAL 208 HG13 VAL 208 -9.452 18.063 13.023 629 HG21 VAL 208 HG21 VAL 208 -8.795 15.857 14.298 630 HG22 VAL 208 HG22 VAL 208 -7.974 15.439 12.794 631 HG23 VAL 208 HG23 VAL 208 -9.152 14.329 13.494 632 H GLU 209 H GLU 209 -11.452 14.114 11.891 633 HA GLU 209 HA GLU 209 -11.688 12.077 13.864 634 HB2 GLU 209 HB2 GLU 209 -14.037 11.441 13.443 635 HB3 GLU 209 HB3 GLU 209 -13.920 13.041 14.176 636 HG2 GLU 209 HG2 GLU 209 -14.078 14.051 11.897 637 HG3 GLU 209 HG3 GLU 209 -14.323 12.436 11.233 638 H THR 210 H THR 210 -12.361 9.954 12.818 639 HA THR 210 HA THR 210 -11.907 8.361 11.226 640 HB THR 210 HB THR 210 -12.750 10.608 9.379 641 HG1 THR 210 HG1 THR 210 -14.631 10.163 10.150 642 HG21 THR 210 HG21 THR 210 -13.354 8.623 7.894 643 HG22 THR 210 HG22 THR 210 -12.357 7.640 8.966 644 HG23 THR 210 HG23 THR 210 -11.632 8.966 8.058 645 H PHE 211 H PHE 211 -9.725 8.041 11.435 646 HA PHE 211 HA PHE 211 -7.490 8.110 10.913 647 HB2 PHE 211 HB2 PHE 211 -8.748 8.967 8.305 648 HB3 PHE 211 HB3 PHE 211 -7.013 8.729 8.477 649 HD1 PHE 211 HD2 PHE 211 -6.379 6.418 9.769 650 HD2 PHE 211 HD1 PHE 211 -9.991 7.133 7.546 651 HE1 PHE 211 HE2 PHE 211 -6.699 3.984 9.496 652 HE2 PHE 211 HE1 PHE 211 -10.298 4.693 7.274 653 HZ PHE 211 HZ PHE 211 -8.650 3.125 8.250 654 H GLY 212 H GLY 212 -6.345 9.563 12.033 655 HA2 GLY 212 HA2 GLY 212 -5.412 11.955 10.976 656 HA3 GLY 212 HA3 GLY 212 -6.807 12.371 11.968 657 H THR 213 H THR 213 -3.735 12.676 12.180 658 HA THR 213 HA THR 213 -3.593 12.578 15.010 659 HB THR 213 HB THR 213 -3.402 10.152 14.621 660 HG1 THR 213 HG1 THR 213 -1.302 9.948 15.634 661 HG21 THR 213 HG21 THR 213 -1.518 9.241 13.375 662 HG22 THR 213 HG22 THR 213 -0.914 10.864 13.045 663 HG23 THR 213 HG23 THR 213 -2.434 10.326 12.331 664 H THR 214 H THR 214 -0.684 12.026 15.014 665 HA THR 214 HA THR 214 0.187 14.673 14.194 666 HB THR 214 HB THR 214 0.911 13.748 16.353 667 HG1 THR 214 HG1 THR 214 2.480 15.039 15.814 668 HG21 THR 214 HG21 THR 214 2.525 11.752 14.761 669 HG22 THR 214 HG22 THR 214 0.951 11.362 15.453 670 HG23 THR 214 HG23 THR 214 2.291 11.810 16.509 671 H SER 215 H SER 215 2.719 14.461 13.420 672 HA SER 215 HA SER 215 2.597 13.824 10.692 673 HB2 SER 215 HB2 SER 215 4.945 14.196 12.556 674 HB3 SER 215 HB3 SER 215 5.133 13.944 10.824 675 HG SER 215 HG SER 215 4.577 15.943 10.534 676 H TYS 216 H TYS 216 3.197 12.059 9.495 677 HA TYS 216 HA TYS 216 3.117 9.517 10.775 678 HB2 TYS 216 HB2 TYS 216 2.563 10.340 8.262 679 HB3 TYS 216 HB1 TYS 216 4.195 9.742 7.988 680 HD1 TYS 216 HD1 TYS 216 1.153 8.657 9.943 681 HD2 TYS 216 HD2 TYS 216 4.302 7.526 7.243 682 HE1 TYS 216 HE1 TYS 216 0.282 6.343 9.896 683 HE2 TYS 216 HE2 TYS 216 3.432 5.207 7.205 684 H TYS 217 H TYS 217 4.729 8.125 11.318 685 HA TYS 217 HA TYS 217 6.815 7.471 11.993 686 HB2 TYS 217 HB2 TYS 217 7.591 8.926 9.451 687 HB3 TYS 217 HB1 TYS 217 8.711 7.963 10.410 688 HD1 TYS 217 HD1 TYS 217 6.595 7.836 7.632 689 HD2 TYS 217 HD2 TYS 217 7.674 5.542 11.109 690 HE1 TYS 217 HE1 TYS 217 5.754 5.773 6.538 691 HE2 TYS 217 HE2 TYS 217 6.832 3.490 10.014 692 H ASP 218 H ASP 218 8.212 10.320 10.541 693 HA ASP 218 HA ASP 218 9.152 12.214 11.427 694 HB2 ASP 218 HB2 ASP 218 6.815 12.309 12.561 695 HB3 ASP 218 HB3 ASP 218 7.659 11.756 14.006 696 H ASP 219 H ASP 219 8.945 9.448 13.632 697 HA ASP 219 HA ASP 219 11.251 10.165 15.162 698 HB2 ASP 219 HB2 ASP 219 9.761 7.557 14.817 699 HB3 ASP 219 HB3 ASP 219 11.120 7.762 15.920 700 H VAL 220 H VAL 220 10.624 8.143 12.359 701 HA VAL 220 HA VAL 220 11.992 7.289 10.742 702 HB VAL 220 HB VAL 220 14.257 8.886 11.943 703 HG11 VAL 220 HG11 VAL 220 14.871 7.332 10.166 704 HG12 VAL 220 HG12 VAL 220 14.942 8.983 9.549 705 HG13 VAL 220 HG13 VAL 220 13.574 7.949 9.145 706 HG21 VAL 220 HG21 VAL 220 11.915 9.768 10.239 707 HG22 VAL 220 HG22 VAL 220 13.444 10.647 10.244 708 HG23 VAL 220 HG23 VAL 220 12.511 10.496 11.731 709 H GLY 221 H GLY 221 13.339 7.338 14.013 710 HA2 GLY 221 HA2 GLY 221 15.080 5.088 13.557 711 HA3 GLY 221 HA3 GLY 221 14.708 5.826 15.113 712 H LEU 222 H LEU 222 11.909 5.160 13.378 713 HA LEU 222 HA LEU 222 11.102 3.117 15.226 714 HB2 LEU 222 HB2 LEU 222 9.449 4.698 14.461 715 HB3 LEU 222 HB3 LEU 222 9.783 4.309 12.776 716 HG LEU 222 HG LEU 222 8.873 2.079 13.039 717 HD11 LEU 222 HD11 LEU 222 8.854 2.812 15.970 718 HD12 LEU 222 HD12 LEU 222 9.542 1.383 15.199 719 HD13 LEU 222 HD13 LEU 222 7.794 1.549 15.344 720 HD21 LEU 222 HD21 LEU 222 7.148 4.221 14.317 721 HD22 LEU 222 HD22 LEU 222 6.534 2.659 13.777 722 HD23 LEU 222 HD23 LEU 222 7.214 3.790 12.607 723 H LEU 223 H LEU 223 11.639 3.203 11.700 724 HA LEU 223 HA LEU 223 11.102 0.613 11.007 725 HB2 LEU 223 HB2 LEU 223 11.756 2.185 9.317 726 HB3 LEU 223 HB3 LEU 223 13.336 2.419 10.060 727 HG LEU 223 HG LEU 223 14.034 0.189 9.471 728 HD11 LEU 223 HD11 LEU 223 11.117 -0.187 8.776 729 HD12 LEU 223 HD12 LEU 223 12.119 -1.153 9.860 730 HD13 LEU 223 HD13 LEU 223 12.362 -1.248 8.117 731 HD21 LEU 223 HD21 LEU 223 12.496 1.282 7.099 732 HD22 LEU 223 HD22 LEU 223 13.970 0.314 7.059 733 HD23 LEU 223 HD23 LEU 223 14.016 1.966 7.674 Start of MODEL 14 1 H1 GLY 1 H1 GLY 1 1.341 -14.252 -13.179 2 H2 GLY 1 H2 GLY 1 2.526 -13.059 -13.416 3 H3 GLY 1 H3 GLY 1 1.325 -12.844 -12.234 4 HA2 GLY 1 HA2 GLY 1 3.146 -15.155 -12.091 5 HA3 GLY 1 HA3 GLY 1 3.659 -13.577 -11.490 6 HA PRO 2 HA PRO 2 1.412 -16.123 -8.152 7 HB2 PRO 2 HB2 PRO 2 3.521 -14.554 -6.690 8 HB3 PRO 2 HB3 PRO 2 2.946 -16.209 -6.398 9 HG2 PRO 2 HG2 PRO 2 5.256 -15.777 -7.634 10 HG3 PRO 2 HG3 PRO 2 4.178 -17.088 -8.151 11 HD2 PRO 2 HD2 PRO 2 4.717 -14.463 -9.482 12 HD3 PRO 2 HD3 PRO 2 4.287 -16.028 -10.209 13 H ALA 3 H ALA 3 -0.309 -15.300 -7.066 14 HA ALA 3 HA ALA 3 -0.917 -12.493 -7.304 15 HB1 ALA 3 HB1 ALA 3 -2.449 -14.504 -5.660 16 HB2 ALA 3 HB2 ALA 3 -2.578 -14.442 -7.418 17 HB3 ALA 3 HB3 ALA 3 -3.052 -13.046 -6.449 18 H SER 4 H SER 4 -2.155 -11.748 -5.058 19 HA SER 4 HA SER 4 0.007 -11.079 -3.314 20 HB2 SER 4 HB2 SER 4 -2.077 -9.687 -3.831 21 HB3 SER 4 HB3 SER 4 -2.926 -10.736 -2.700 22 HG SER 4 HG SER 4 -0.810 -10.118 -1.417 23 H VAL 5 H VAL 5 -0.248 -13.881 -3.461 24 HA VAL 5 HA VAL 5 -1.639 -14.850 -1.138 25 HB VAL 5 HB VAL 5 0.505 -16.396 -2.582 26 HG11 VAL 5 HG11 VAL 5 -0.593 -17.421 -0.632 27 HG12 VAL 5 HG12 VAL 5 -1.051 -18.261 -2.114 28 HG13 VAL 5 HG13 VAL 5 -2.173 -17.129 -1.359 29 HG21 VAL 5 HG21 VAL 5 -1.408 -17.079 -4.147 30 HG22 VAL 5 HG22 VAL 5 -0.720 -15.476 -4.410 31 HG23 VAL 5 HG23 VAL 5 -2.257 -15.647 -3.562 32 HA PRO 6 HA PRO 6 3.072 -15.084 0.346 33 HB2 PRO 6 HB2 PRO 6 3.743 -12.298 -0.536 34 HB3 PRO 6 HB3 PRO 6 4.776 -13.741 -0.476 35 HG2 PRO 6 HG2 PRO 6 3.852 -12.846 -2.791 36 HG3 PRO 6 HG3 PRO 6 3.928 -14.589 -2.461 37 HD2 PRO 6 HD2 PRO 6 1.539 -12.767 -2.425 38 HD3 PRO 6 HD3 PRO 6 1.667 -14.442 -3.010 39 H THR 7 H THR 7 0.581 -12.771 0.435 40 HA THR 7 HA THR 7 0.726 -12.514 3.284 41 HB THR 7 HB THR 7 1.252 -10.009 1.666 42 HG1 THR 7 HG1 THR 7 3.293 -10.126 2.648 43 HG21 THR 7 HG21 THR 7 -0.032 -9.528 3.651 44 HG22 THR 7 HG22 THR 7 1.640 -9.066 3.972 45 HG23 THR 7 HG23 THR 7 0.998 -10.571 4.630 46 H THR 8 H THR 8 -1.234 -11.957 4.119 47 HA THR 8 HA THR 8 -3.540 -12.132 2.580 48 HB THR 8 HB THR 8 -3.857 -12.470 4.875 49 HG1 THR 8 HG1 THR 8 -4.724 -9.870 5.043 50 HG21 THR 8 HG21 THR 8 -2.267 -9.925 5.203 51 HG22 THR 8 HG22 THR 8 -1.901 -11.536 5.822 52 HG23 THR 8 HG23 THR 8 -3.218 -10.600 6.527 53 H CYS 9 H CYS 9 -3.720 -9.238 4.380 54 HA CYS 9 HA CYS 9 -3.026 -7.359 2.363 55 HB2 CYS 9 HB2 CYS 9 -5.096 -8.489 1.378 56 HB3 CYS 9 HB3 CYS 9 -6.004 -7.724 2.683 57 H CYS 10 H CYS 10 -3.181 -5.249 3.097 58 HA CYS 10 HA CYS 10 -3.012 -4.708 5.779 59 HB2 CYS 10 HB2 CYS 10 -3.667 -2.347 5.163 60 HB3 CYS 10 HB3 CYS 10 -2.367 -3.033 4.189 61 H PHE 11 H PHE 11 -4.420 -3.898 7.367 62 HA PHE 11 HA PHE 11 -6.925 -5.111 7.577 63 HB2 PHE 11 HB2 PHE 11 -5.929 -2.604 8.954 64 HB3 PHE 11 HB3 PHE 11 -7.313 -3.570 9.466 65 HD1 PHE 11 HD2 PHE 11 -3.638 -3.481 9.144 66 HD2 PHE 11 HD1 PHE 11 -7.023 -5.757 10.488 67 HE1 PHE 11 HE2 PHE 11 -2.123 -4.996 10.392 68 HE2 PHE 11 HE1 PHE 11 -5.508 -7.273 11.735 69 HZ PHE 11 HZ PHE 11 -3.058 -6.892 11.688 70 H ASN 12 H ASN 12 -6.121 -1.755 6.699 71 HA ASN 12 HA ASN 12 -8.430 -1.587 4.975 72 HB2 ASN 12 HB2 ASN 12 -9.286 0.486 6.219 73 HB3 ASN 12 HB3 ASN 12 -9.645 -1.082 6.937 74 HD21 ASN 12 HD21 ASN 12 -6.359 0.171 7.098 75 HD22 ASN 12 HD22 ASN 12 -6.384 0.535 8.756 76 H LEU 13 H LEU 13 -7.715 1.429 6.267 77 HA LEU 13 HA LEU 13 -5.760 2.003 4.101 78 HB2 LEU 13 HB2 LEU 13 -7.617 4.027 5.352 79 HB3 LEU 13 HB3 LEU 13 -6.726 4.145 3.837 80 HG LEU 13 HG LEU 13 -8.987 2.203 4.391 81 HD11 LEU 13 HD11 LEU 13 -8.831 4.803 2.853 82 HD12 LEU 13 HD12 LEU 13 -9.924 4.392 4.174 83 HD13 LEU 13 HD13 LEU 13 -10.118 3.624 2.598 84 HD21 LEU 13 HD21 LEU 13 -8.796 1.949 1.834 85 HD22 LEU 13 HD22 LEU 13 -7.528 1.192 2.796 86 HD23 LEU 13 HD23 LEU 13 -7.222 2.729 1.989 87 H ALA 14 H ALA 14 -4.353 3.923 4.588 88 HA ALA 14 HA ALA 14 -2.964 3.501 7.030 89 HB1 ALA 14 HB1 ALA 14 -1.444 5.129 6.280 90 HB2 ALA 14 HB2 ALA 14 -2.676 5.988 5.357 91 HB3 ALA 14 HB3 ALA 14 -2.072 4.434 4.786 92 H ASN 15 H ASN 15 -2.692 6.659 7.069 93 HA ASN 15 HA ASN 15 -5.160 7.427 8.389 94 HB2 ASN 15 HB2 ASN 15 -2.634 7.465 10.050 95 HB3 ASN 15 HB3 ASN 15 -4.290 7.761 10.574 96 HD21 ASN 15 HD21 ASN 15 -1.891 5.307 10.125 97 HD22 ASN 15 HD22 ASN 15 -2.880 3.978 10.491 98 H ARG 16 H ARG 16 -1.727 8.184 7.853 99 HA ARG 16 HA ARG 16 -2.470 11.024 7.377 100 HB2 ARG 16 HB2 ARG 16 0.027 9.900 8.661 101 HB3 ARG 16 HB3 ARG 16 -0.230 11.599 8.278 102 HG2 ARG 16 HG2 ARG 16 -2.355 10.235 9.906 103 HG3 ARG 16 HG3 ARG 16 -0.826 10.564 10.709 104 HD2 ARG 16 HD2 ARG 16 -2.322 12.450 11.055 105 HD3 ARG 16 HD3 ARG 16 -1.011 12.956 9.997 106 HE ARG 16 HE ARG 16 -3.371 12.009 8.601 107 HH11 ARG 16 HH21 ARG 16 -1.714 14.676 10.057 108 HH12 ARG 16 HH22 ARG 16 -2.543 15.878 9.124 109 HH21 ARG 16 HH11 ARG 16 -4.461 13.580 7.374 110 HH22 ARG 16 HH12 ARG 16 -4.097 15.258 7.605 111 H LYS 17 H LYS 17 -0.021 11.916 6.528 112 HA LYS 17 HA LYS 17 0.051 10.892 3.819 113 HB2 LYS 17 HB2 LYS 17 0.132 13.272 4.070 114 HB3 LYS 17 HB3 LYS 17 1.464 13.167 5.220 115 HG2 LYS 17 HG2 LYS 17 3.026 12.578 3.558 116 HG3 LYS 17 HG3 LYS 17 1.775 12.071 2.425 117 HD2 LYS 17 HD2 LYS 17 1.047 14.401 2.153 118 HD3 LYS 17 HD3 LYS 17 2.248 14.928 3.332 119 HE2 LYS 17 HE2 LYS 17 3.998 13.839 1.807 120 HE3 LYS 17 HE3 LYS 17 2.725 13.752 0.589 121 HZ1 LYS 17 HZ1 LYS 17 4.222 16.021 1.514 122 HZ2 LYS 17 HZ2 LYS 17 2.547 16.296 1.497 123 HZ3 LYS 17 HZ3 LYS 17 3.345 15.816 0.078 124 H ILE 18 H ILE 18 1.796 9.968 2.790 125 HA ILE 18 HA ILE 18 3.755 8.656 4.538 126 HB ILE 18 HB ILE 18 2.573 8.116 1.837 127 HG12 ILE 18 HG12 ILE 18 1.864 7.092 4.127 128 HG13 ILE 18 HG13 ILE 18 2.003 6.029 2.734 129 HG21 ILE 18 HG21 ILE 18 4.873 7.972 1.216 130 HG22 ILE 18 HG22 ILE 18 4.327 6.318 1.480 131 HG23 ILE 18 HG23 ILE 18 5.297 7.128 2.703 132 HD11 ILE 18 HD11 ILE 18 4.163 5.222 3.475 133 HD12 ILE 18 HD12 ILE 18 3.048 5.116 4.831 134 HD13 ILE 18 HD13 ILE 18 4.223 6.420 4.765 135 HA PRO 19 HA PRO 19 6.783 11.663 3.116 136 HB2 PRO 19 HB2 PRO 19 9.108 10.222 3.549 137 HB3 PRO 19 HB3 PRO 19 8.213 11.060 4.831 138 HG2 PRO 19 HG2 PRO 19 8.116 8.178 4.042 139 HG3 PRO 19 HG3 PRO 19 8.202 8.890 5.658 140 HD2 PRO 19 HD2 PRO 19 5.890 7.996 4.703 141 HD3 PRO 19 HD3 PRO 19 5.936 9.484 5.666 142 H LEU 20 H LEU 20 6.782 12.005 0.971 143 HA LEU 20 HA LEU 20 6.761 10.157 -1.068 144 HB2 LEU 20 HB2 LEU 20 7.556 13.037 -0.885 145 HB3 LEU 20 HB3 LEU 20 7.931 12.176 -2.376 146 HG LEU 20 HG LEU 20 5.573 11.526 -2.615 147 HD11 LEU 20 HD11 LEU 20 4.924 11.375 -0.284 148 HD12 LEU 20 HD12 LEU 20 3.899 12.575 -1.069 149 HD13 LEU 20 HD13 LEU 20 5.237 13.093 -0.043 150 HD21 LEU 20 HD21 LEU 20 5.731 14.493 -2.027 151 HD22 LEU 20 HD22 LEU 20 4.718 13.685 -3.223 152 HD23 LEU 20 HD23 LEU 20 6.465 13.761 -3.454 153 H GLN 21 H GLN 21 9.583 11.672 0.450 154 HA GLN 21 HA GLN 21 11.621 10.870 -1.201 155 HB2 GLN 21 HB2 GLN 21 13.008 10.740 0.954 156 HB3 GLN 21 HB3 GLN 21 12.180 12.262 0.620 157 HG2 GLN 21 HG2 GLN 21 10.337 11.601 2.106 158 HG3 GLN 21 HG3 GLN 21 11.134 10.059 2.416 159 HE21 GLN 21 HE21 GLN 21 13.808 10.879 2.765 160 HE22 GLN 21 HE22 GLN 21 13.909 11.894 4.122 161 H ARG 22 H ARG 22 9.788 8.837 1.003 162 HA ARG 22 HA ARG 22 11.628 6.572 0.541 163 HB2 ARG 22 HB2 ARG 22 9.315 6.989 2.448 164 HB3 ARG 22 HB3 ARG 22 10.166 5.458 2.272 165 HG2 ARG 22 HG2 ARG 22 12.082 6.225 3.314 166 HG3 ARG 22 HG3 ARG 22 11.892 7.865 2.702 167 HD2 ARG 22 HD2 ARG 22 10.415 8.474 4.409 168 HD3 ARG 22 HD3 ARG 22 9.946 6.809 4.742 169 HE ARG 22 HE ARG 22 11.699 6.712 6.243 170 HH11 ARG 22 HH21 ARG 22 12.258 9.190 3.892 171 HH12 ARG 22 HH22 ARG 22 13.719 9.753 4.631 172 HH21 ARG 22 HH11 ARG 22 13.616 7.445 7.217 173 HH22 ARG 22 HH12 ARG 22 14.489 8.765 6.513 174 H LEU 23 H LEU 23 8.681 7.861 -0.553 175 HA LEU 23 HA LEU 23 7.312 5.476 -1.262 176 HB2 LEU 23 HB2 LEU 23 6.208 7.658 -0.999 177 HB3 LEU 23 HB3 LEU 23 7.148 8.304 -2.327 178 HG LEU 23 HG LEU 23 4.655 7.553 -2.690 179 HD11 LEU 23 HD11 LEU 23 7.004 7.392 -4.491 180 HD12 LEU 23 HD12 LEU 23 5.526 8.316 -4.620 181 HD13 LEU 23 HD13 LEU 23 5.537 6.612 -5.067 182 HD21 LEU 23 HD21 LEU 23 5.161 5.215 -1.769 183 HD22 LEU 23 HD22 LEU 23 5.977 4.909 -3.297 184 HD23 LEU 23 HD23 LEU 23 4.268 5.298 -3.280 185 H GLU 24 H GLU 24 7.688 4.101 -2.894 186 HA GLU 24 HA GLU 24 9.676 4.795 -4.950 187 HB2 GLU 24 HB2 GLU 24 10.064 2.684 -3.847 188 HB3 GLU 24 HB3 GLU 24 8.403 2.175 -4.139 189 HG2 GLU 24 HG2 GLU 24 8.757 2.005 -6.488 190 HG3 GLU 24 HG3 GLU 24 10.285 2.879 -6.394 191 H SER 25 H SER 25 6.486 3.172 -4.796 192 HA SER 25 HA SER 25 5.498 4.707 -7.041 193 HB2 SER 25 HB2 SER 25 6.893 2.797 -8.024 194 HB3 SER 25 HB3 SER 25 5.648 1.718 -7.402 195 HG SER 25 HG SER 25 5.594 3.486 -9.517 196 H TYR 26 H TYR 26 3.296 3.353 -7.777 197 HA TYR 26 HA TYR 26 1.911 2.539 -5.296 198 HB2 TYR 26 HB2 TYR 26 0.040 3.932 -5.699 199 HB3 TYR 26 HB3 TYR 26 1.443 4.975 -5.900 200 HD1 TYR 26 HD2 TYR 26 2.262 5.521 -8.224 201 HD2 TYR 26 HD1 TYR 26 -1.444 3.467 -7.512 202 HE1 TYR 26 HE2 TYR 26 1.526 6.045 -10.534 203 HE2 TYR 26 HE1 TYR 26 -2.176 3.987 -9.821 204 HH TYR 26 HH TYR 26 -0.042 5.741 -12.075 205 H ARG 27 H ARG 27 -0.062 1.339 -5.650 206 HA ARG 27 HA ARG 27 -0.516 0.214 -8.312 207 HB2 ARG 27 HB2 ARG 27 1.273 -1.185 -7.123 208 HB3 ARG 27 HB3 ARG 27 0.008 -1.634 -5.980 209 HG2 ARG 27 HG2 ARG 27 -1.300 -2.137 -8.326 210 HG3 ARG 27 HG3 ARG 27 0.358 -2.441 -8.838 211 HD2 ARG 27 HD2 ARG 27 0.526 -3.887 -6.687 212 HD3 ARG 27 HD3 ARG 27 -1.235 -3.825 -6.687 213 HE ARG 27 HE ARG 27 -0.279 -4.596 -9.254 214 HH11 ARG 27 HH21 ARG 27 -0.674 -5.700 -5.998 215 HH12 ARG 27 HH22 ARG 27 -0.820 -7.370 -6.436 216 HH21 ARG 27 HH11 ARG 27 -0.470 -6.783 -9.836 217 HH22 ARG 27 HH12 ARG 27 -0.705 -7.983 -8.609 218 H ARG 28 H ARG 28 -2.601 -0.681 -8.528 219 HA ARG 28 HA ARG 28 -4.447 0.070 -6.364 220 HB2 ARG 28 HB2 ARG 28 -4.602 0.635 -8.982 221 HB3 ARG 28 HB3 ARG 28 -5.444 -0.912 -9.010 222 HG2 ARG 28 HG2 ARG 28 -6.806 0.048 -7.006 223 HG3 ARG 28 HG3 ARG 28 -6.179 1.612 -7.524 224 HD2 ARG 28 HD2 ARG 28 -7.711 -0.320 -9.288 225 HD3 ARG 28 HD3 ARG 28 -8.390 1.123 -8.540 226 HE ARG 28 HE ARG 28 -6.109 1.860 -10.031 227 HH11 ARG 28 HH21 ARG 28 -9.326 0.646 -10.422 228 HH12 ARG 28 HH22 ARG 28 -9.556 1.365 -11.981 229 HH21 ARG 28 HH11 ARG 28 -6.403 2.806 -12.075 230 HH22 ARG 28 HH12 ARG 28 -7.901 2.588 -12.917 231 H ILE 29 H ILE 29 -6.021 -1.306 -5.549 232 HA ILE 29 HA ILE 29 -5.518 -4.206 -5.928 233 HB ILE 29 HB ILE 29 -6.839 -3.958 -3.475 234 HG12 ILE 29 HG12 ILE 29 -4.786 -1.736 -3.695 235 HG13 ILE 29 HG13 ILE 29 -6.524 -1.490 -3.616 236 HG21 ILE 29 HG21 ILE 29 -4.915 -5.422 -3.996 237 HG22 ILE 29 HG22 ILE 29 -4.670 -4.539 -2.491 238 HG23 ILE 29 HG23 ILE 29 -3.848 -4.021 -3.964 239 HD11 ILE 29 HD11 ILE 29 -5.131 -3.065 -1.454 240 HD12 ILE 29 HD12 ILE 29 -6.656 -2.189 -1.381 241 HD13 ILE 29 HD13 ILE 29 -5.131 -1.303 -1.412 242 H THR 30 H THR 30 -7.211 -5.466 -6.484 243 HA THR 30 HA THR 30 -9.956 -4.460 -6.218 244 HB THR 30 HB THR 30 -10.494 -4.592 -8.499 245 HG1 THR 30 HG1 THR 30 -8.006 -5.572 -9.274 246 HG21 THR 30 HG21 THR 30 -7.640 -3.574 -8.461 247 HG22 THR 30 HG22 THR 30 -9.044 -2.639 -7.943 248 HG23 THR 30 HG23 THR 30 -8.893 -3.144 -9.626 249 H SER 31 H SER 31 -11.257 -6.039 -5.559 250 HA SER 31 HA SER 31 -12.040 -8.128 -5.018 251 HB2 SER 31 HB2 SER 31 -12.056 -9.736 -6.727 252 HB3 SER 31 HB3 SER 31 -11.921 -8.214 -7.603 253 HG SER 31 HG SER 31 -9.865 -10.053 -6.938 254 H GLY 32 H GLY 32 -11.446 -10.034 -3.936 255 HA2 GLY 32 HA2 GLY 32 -10.043 -11.536 -2.863 256 HA3 GLY 32 HA3 GLY 32 -8.704 -10.913 -3.823 257 H LYS 33 H LYS 33 -10.572 -10.516 -0.892 258 HA LYS 33 HA LYS 33 -10.171 -9.368 1.059 259 HB2 LYS 33 HB2 LYS 33 -7.385 -9.933 0.046 260 HB3 LYS 33 HB3 LYS 33 -7.654 -9.089 1.570 261 HG2 LYS 33 HG2 LYS 33 -7.402 -11.475 2.006 262 HG3 LYS 33 HG3 LYS 33 -9.066 -10.994 2.341 263 HD2 LYS 33 HD2 LYS 33 -9.881 -11.989 0.357 264 HD3 LYS 33 HD3 LYS 33 -8.276 -12.068 -0.369 265 HE2 LYS 33 HE2 LYS 33 -8.968 -14.297 0.385 266 HE3 LYS 33 HE3 LYS 33 -7.602 -13.731 1.346 267 HZ1 LYS 33 HZ1 LYS 33 -8.958 -13.278 3.153 268 HZ2 LYS 33 HZ2 LYS 33 -9.599 -14.734 2.556 269 HZ3 LYS 33 HZ3 LYS 33 -10.378 -13.260 2.227 270 H CYS 34 H CYS 34 -8.430 -7.435 1.828 271 HA CYS 34 HA CYS 34 -8.009 -5.190 1.706 272 HB2 CYS 34 HB2 CYS 34 -8.249 -5.367 -1.293 273 HB3 CYS 34 HB3 CYS 34 -7.215 -4.311 -0.332 274 HA PRO 35 HA PRO 35 -12.105 -3.480 1.382 275 HB2 PRO 35 HB2 PRO 35 -11.595 -0.811 1.587 276 HB3 PRO 35 HB3 PRO 35 -11.402 -1.921 2.958 277 HG2 PRO 35 HG2 PRO 35 -9.322 -0.831 1.106 278 HG3 PRO 35 HG3 PRO 35 -9.279 -0.993 2.872 279 HD2 PRO 35 HD2 PRO 35 -8.062 -2.789 1.215 280 HD3 PRO 35 HD3 PRO 35 -8.746 -3.256 2.787 281 H GLN 36 H GLN 36 -13.005 -1.200 0.201 282 HA GLN 36 HA GLN 36 -13.348 -1.798 -2.461 283 HB2 GLN 36 HB2 GLN 36 -13.669 0.829 -2.657 284 HB3 GLN 36 HB3 GLN 36 -14.806 -0.144 -1.729 285 HG2 GLN 36 HG2 GLN 36 -12.373 0.970 -0.341 286 HG3 GLN 36 HG3 GLN 36 -13.739 2.035 -0.662 287 HE21 GLN 36 HE21 GLN 36 -15.860 0.086 -0.285 288 HE22 GLN 36 HE22 GLN 36 -15.877 -0.334 1.360 289 H LYS 37 H LYS 37 -12.594 -0.365 -4.352 290 HA LYS 37 HA LYS 37 -9.974 -0.819 -4.979 291 HB2 LYS 37 HB2 LYS 37 -11.579 1.600 -5.843 292 HB3 LYS 37 HB3 LYS 37 -10.169 0.936 -6.672 293 HG2 LYS 37 HG2 LYS 37 -11.480 -1.270 -6.793 294 HG3 LYS 37 HG3 LYS 37 -12.896 -0.323 -6.333 295 HD2 LYS 37 HD2 LYS 37 -12.304 1.234 -8.279 296 HD3 LYS 37 HD3 LYS 37 -11.185 -0.024 -8.806 297 HE2 LYS 37 HE2 LYS 37 -13.019 -1.641 -8.937 298 HE3 LYS 37 HE3 LYS 37 -14.152 -0.433 -8.331 299 HZ1 LYS 37 HZ1 LYS 37 -12.571 0.314 -10.658 300 HZ2 LYS 37 HZ2 LYS 37 -14.196 0.650 -10.292 301 HZ3 LYS 37 HZ3 LYS 37 -13.759 -0.872 -10.908 302 H ALA 38 H ALA 38 -8.029 0.015 -4.463 303 HA ALA 38 HA ALA 38 -7.775 2.694 -3.364 304 HB1 ALA 38 HB1 ALA 38 -8.287 1.666 -1.306 305 HB2 ALA 38 HB2 ALA 38 -6.526 1.717 -1.331 306 HB3 ALA 38 HB3 ALA 38 -7.369 0.215 -1.704 307 H VAL 39 H VAL 39 -5.632 3.456 -3.354 308 HA VAL 39 HA VAL 39 -3.786 1.869 -5.020 309 HB VAL 39 HB VAL 39 -2.738 3.918 -5.606 310 HG11 VAL 39 HG11 VAL 39 -4.506 5.055 -6.681 311 HG12 VAL 39 HG12 VAL 39 -5.644 4.704 -5.381 312 HG13 VAL 39 HG13 VAL 39 -5.122 3.419 -6.470 313 HG21 VAL 39 HG21 VAL 39 -3.586 6.085 -4.488 314 HG22 VAL 39 HG22 VAL 39 -2.507 5.061 -3.538 315 HG23 VAL 39 HG23 VAL 39 -4.246 5.031 -3.235 316 H ILE 40 H ILE 40 -2.100 0.910 -4.117 317 HA ILE 40 HA ILE 40 -1.435 1.455 -1.321 318 HB ILE 40 HB ILE 40 -0.320 -0.699 -3.121 319 HG12 ILE 40 HG12 ILE 40 -2.675 -0.953 -1.232 320 HG13 ILE 40 HG13 ILE 40 -2.853 -0.720 -2.967 321 HG21 ILE 40 HG21 ILE 40 0.748 -0.065 -0.836 322 HG22 ILE 40 HG22 ILE 40 0.383 -1.759 -1.146 323 HG23 ILE 40 HG23 ILE 40 -0.690 -0.803 -0.128 324 HD11 ILE 40 HD11 ILE 40 -1.916 -2.806 -3.482 325 HD12 ILE 40 HD12 ILE 40 -2.863 -3.150 -2.036 326 HD13 ILE 40 HD13 ILE 40 -1.119 -2.948 -1.916 327 H PHE 41 H PHE 41 0.094 2.975 -0.944 328 HA PHE 41 HA PHE 41 2.195 3.492 -2.915 329 HB2 PHE 41 HB2 PHE 41 1.744 4.712 -0.176 330 HB3 PHE 41 HB3 PHE 41 2.895 5.275 -1.380 331 HD1 PHE 41 HD2 PHE 41 1.897 5.847 -3.767 332 HD2 PHE 41 HD1 PHE 41 -0.404 5.618 -0.146 333 HE1 PHE 41 HE2 PHE 41 0.127 7.246 -4.798 334 HE2 PHE 41 HE1 PHE 41 -2.152 7.014 -1.168 335 HZ PHE 41 HZ PHE 41 -1.898 7.830 -3.500 336 H LYS 42 H LYS 42 4.012 2.309 -2.908 337 HA LYS 42 HA LYS 42 4.741 0.798 -0.485 338 HB2 LYS 42 HB2 LYS 42 6.406 -0.265 -2.127 339 HB3 LYS 42 HB3 LYS 42 4.694 -0.599 -2.383 340 HG2 LYS 42 HG2 LYS 42 4.551 0.996 -4.159 341 HG3 LYS 42 HG3 LYS 42 6.141 1.660 -3.780 342 HD2 LYS 42 HD2 LYS 42 6.171 0.128 -5.759 343 HD3 LYS 42 HD3 LYS 42 7.219 -0.417 -4.450 344 HE2 LYS 42 HE2 LYS 42 5.735 -2.132 -3.809 345 HE3 LYS 42 HE3 LYS 42 4.369 -1.391 -4.646 346 HZ1 LYS 42 HZ1 LYS 42 4.920 -2.970 -6.154 347 HZ2 LYS 42 HZ2 LYS 42 6.561 -3.001 -5.715 348 HZ3 LYS 42 HZ3 LYS 42 5.964 -1.748 -6.695 349 H THR 43 H THR 43 6.656 1.023 0.564 350 HA THR 43 HA THR 43 8.675 2.896 -0.430 351 HB THR 43 HB THR 43 7.902 4.593 0.884 352 HG1 THR 43 HG1 THR 43 9.616 3.684 2.162 353 HG21 THR 43 HG21 THR 43 6.204 4.238 2.684 354 HG22 THR 43 HG22 THR 43 6.273 2.505 2.355 355 HG23 THR 43 HG23 THR 43 5.696 3.617 1.112 356 H LYS 44 H LYS 44 10.507 2.978 1.342 357 HA LYS 44 HA LYS 44 11.268 0.198 1.787 358 HB2 LYS 44 HB2 LYS 44 12.769 2.799 2.155 359 HB3 LYS 44 HB3 LYS 44 13.462 1.198 2.419 360 HG2 LYS 44 HG2 LYS 44 12.967 0.593 0.080 361 HG3 LYS 44 HG3 LYS 44 12.269 2.190 -0.188 362 HD2 LYS 44 HD2 LYS 44 14.461 3.213 0.414 363 HD3 LYS 44 HD3 LYS 44 15.146 1.594 0.564 364 HE2 LYS 44 HE2 LYS 44 14.656 1.127 -1.783 365 HE3 LYS 44 HE3 LYS 44 13.862 2.692 -1.954 366 HZ1 LYS 44 HZ1 LYS 44 16.450 2.239 -2.485 367 HZ2 LYS 44 HZ2 LYS 44 16.543 2.809 -0.886 368 HZ3 LYS 44 HZ3 LYS 44 15.808 3.758 -2.090 369 H LEU 45 H LEU 45 9.125 1.269 3.454 370 HA LEU 45 HA LEU 45 10.231 1.849 6.041 371 HB2 LEU 45 HB2 LEU 45 7.554 1.636 4.832 372 HB3 LEU 45 HB3 LEU 45 7.592 1.000 6.469 373 HG LEU 45 HG LEU 45 6.990 3.352 6.522 374 HD11 LEU 45 HD11 LEU 45 9.802 3.596 7.478 375 HD12 LEU 45 HD12 LEU 45 8.868 2.250 8.135 376 HD13 LEU 45 HD13 LEU 45 8.285 3.901 8.319 377 HD21 LEU 45 HD21 LEU 45 9.443 3.668 4.801 378 HD22 LEU 45 HD22 LEU 45 8.875 5.011 5.790 379 HD23 LEU 45 HD23 LEU 45 7.820 4.315 4.563 380 H ALA 46 H ALA 46 7.898 -0.743 5.512 381 HA ALA 46 HA ALA 46 9.702 -2.886 6.051 382 HB1 ALA 46 HB1 ALA 46 7.834 -2.248 8.333 383 HB2 ALA 46 HB2 ALA 46 9.508 -1.696 8.307 384 HB3 ALA 46 HB3 ALA 46 9.149 -3.423 8.295 385 H LYS 47 H LYS 47 6.663 -1.564 5.360 386 HA LYS 47 HA LYS 47 5.698 -4.093 4.360 387 HB2 LYS 47 HB2 LYS 47 3.445 -3.615 5.723 388 HB3 LYS 47 HB3 LYS 47 4.744 -4.588 6.407 389 HG2 LYS 47 HG2 LYS 47 3.941 -2.884 8.009 390 HG3 LYS 47 HG3 LYS 47 5.631 -2.625 7.584 391 HD2 LYS 47 HD2 LYS 47 5.092 -0.815 6.127 392 HD3 LYS 47 HD3 LYS 47 3.377 -1.224 6.137 393 HE2 LYS 47 HE2 LYS 47 4.845 -0.449 8.662 394 HE3 LYS 47 HE3 LYS 47 4.092 0.752 7.614 395 HZ1 LYS 47 HZ1 LYS 47 2.200 -1.207 7.931 396 HZ2 LYS 47 HZ2 LYS 47 2.214 0.317 8.682 397 HZ3 LYS 47 HZ3 LYS 47 2.881 -1.030 9.475 398 H ASP 48 H ASP 48 3.478 -3.792 3.348 399 HA ASP 48 HA ASP 48 3.590 -1.470 1.655 400 HB2 ASP 48 HB2 ASP 48 1.275 -3.389 1.755 401 HB3 ASP 48 HB3 ASP 48 1.950 -2.533 0.372 402 H ILE 49 H ILE 49 2.057 0.173 1.442 403 HA ILE 49 HA ILE 49 0.299 0.615 3.800 404 HB ILE 49 HB ILE 49 1.437 2.787 2.039 405 HG12 ILE 49 HG12 ILE 49 3.343 1.500 2.948 406 HG13 ILE 49 HG13 ILE 49 3.234 3.092 3.687 407 HG21 ILE 49 HG21 ILE 49 -0.439 3.412 3.450 408 HG22 ILE 49 HG22 ILE 49 1.033 4.136 4.096 409 HG23 ILE 49 HG23 ILE 49 0.344 2.706 4.864 410 HD11 ILE 49 HD11 ILE 49 3.676 1.464 5.426 411 HD12 ILE 49 HD12 ILE 49 2.323 0.469 4.905 412 HD13 ILE 49 HD13 ILE 49 2.028 2.046 5.631 413 H CYS 50 H CYS 50 -1.818 0.779 3.387 414 HA CYS 50 HA CYS 50 -2.728 0.951 0.576 415 HB2 CYS 50 HB2 CYS 50 -4.203 0.161 3.099 416 HB3 CYS 50 HB3 CYS 50 -4.868 0.127 1.466 417 H ALA 51 H ALA 51 -4.482 2.371 0.027 418 HA ALA 51 HA ALA 51 -5.492 4.310 1.860 419 HB1 ALA 51 HB1 ALA 51 -2.996 4.966 1.201 420 HB2 ALA 51 HB2 ALA 51 -4.246 6.193 1.394 421 HB3 ALA 51 HB3 ALA 51 -3.797 5.636 -0.220 422 H ASP 52 H ASP 52 -7.274 5.340 1.053 423 HA ASP 52 HA ASP 52 -8.222 4.426 -1.553 424 HB2 ASP 52 HB2 ASP 52 -9.715 4.193 0.350 425 HB3 ASP 52 HB3 ASP 52 -9.580 5.915 0.705 426 HA PRO 53 HA PRO 53 -7.323 8.403 -3.459 427 HB2 PRO 53 HB2 PRO 53 -9.022 8.307 -5.604 428 HB3 PRO 53 HB3 PRO 53 -7.526 7.353 -5.516 429 HG2 PRO 53 HG2 PRO 53 -10.334 6.514 -4.903 430 HG3 PRO 53 HG3 PRO 53 -9.088 5.671 -5.851 431 HD2 PRO 53 HD2 PRO 53 -9.599 4.988 -3.296 432 HD3 PRO 53 HD3 PRO 53 -7.946 4.934 -3.952 433 H LYS 54 H LYS 54 -8.376 9.305 -1.447 434 HA LYS 54 HA LYS 54 -10.554 11.061 -2.238 435 HB2 LYS 54 HB2 LYS 54 -11.266 8.716 -1.015 436 HB3 LYS 54 HB3 LYS 54 -11.046 9.743 0.390 437 HG2 LYS 54 HG2 LYS 54 -13.304 10.086 -0.145 438 HG3 LYS 54 HG3 LYS 54 -12.515 11.458 -0.914 439 HD2 LYS 54 HD2 LYS 54 -13.918 10.672 -2.620 440 HD3 LYS 54 HD3 LYS 54 -12.388 9.905 -3.016 441 HE2 LYS 54 HE2 LYS 54 -14.351 8.350 -3.132 442 HE3 LYS 54 HE3 LYS 54 -13.104 7.812 -2.015 443 HZ1 LYS 54 HZ1 LYS 54 -15.750 8.165 -1.441 444 HZ2 LYS 54 HZ2 LYS 54 -15.009 9.535 -0.762 445 HZ3 LYS 54 HZ3 LYS 54 -14.500 7.978 -0.310 446 H LYS 55 H LYS 55 -8.188 9.994 0.129 447 HA LYS 55 HA LYS 55 -8.279 12.483 1.613 448 HB2 LYS 55 HB2 LYS 55 -5.861 10.914 2.090 449 HB3 LYS 55 HB3 LYS 55 -7.169 11.290 3.200 450 HG2 LYS 55 HG2 LYS 55 -8.515 9.439 2.163 451 HG3 LYS 55 HG3 LYS 55 -7.110 9.023 1.188 452 HD2 LYS 55 HD2 LYS 55 -6.871 7.562 2.998 453 HD3 LYS 55 HD3 LYS 55 -5.858 8.911 3.491 454 HE2 LYS 55 HE2 LYS 55 -7.368 8.099 5.312 455 HE3 LYS 55 HE3 LYS 55 -7.634 9.791 4.910 456 HZ1 LYS 55 HZ1 LYS 55 -9.632 9.349 3.953 457 HZ2 LYS 55 HZ2 LYS 55 -9.609 8.091 5.095 458 HZ3 LYS 55 HZ3 LYS 55 -9.200 7.781 3.476 459 H LYS 56 H LYS 56 -6.868 14.181 1.432 460 HA LYS 56 HA LYS 56 -5.901 14.919 -1.010 461 HB2 LYS 56 HB2 LYS 56 -6.142 16.332 1.097 462 HB3 LYS 56 HB3 LYS 56 -4.532 15.763 1.538 463 HG2 LYS 56 HG2 LYS 56 -3.821 16.544 -0.831 464 HG3 LYS 56 HG3 LYS 56 -5.342 17.439 -0.839 465 HD2 LYS 56 HD2 LYS 56 -4.596 18.401 1.427 466 HD3 LYS 56 HD3 LYS 56 -2.999 17.759 1.040 467 HE2 LYS 56 HE2 LYS 56 -2.940 19.067 -1.028 468 HE3 LYS 56 HE3 LYS 56 -4.571 19.665 -0.718 469 HZ1 LYS 56 HZ1 LYS 56 -3.012 20.122 1.560 470 HZ2 LYS 56 HZ2 LYS 56 -3.716 21.266 0.520 471 HZ3 LYS 56 HZ3 LYS 56 -2.145 20.693 0.219 472 H TRP 57 H TRP 57 -3.771 13.649 1.600 473 HA TRP 57 HA TRP 57 -1.441 13.681 0.086 474 HB2 TRP 57 HB2 TRP 57 -0.434 12.364 1.745 475 HB3 TRP 57 HB3 TRP 57 -1.680 13.272 2.587 476 HD1 TRP 57 HD1 TRP 57 -3.833 11.954 3.409 477 HE1 TRP 57 HE1 TRP 57 -4.232 9.451 3.862 478 HE3 TRP 57 HE3 TRP 57 0.168 9.948 0.937 479 HZ2 TRP 57 HZ2 TRP 57 -3.028 6.933 3.254 480 HZ3 TRP 57 HZ3 TRP 57 0.516 7.495 0.894 481 HH2 TRP 57 HH2 TRP 57 -1.076 5.988 2.054 482 H VAL 58 H VAL 58 -4.084 11.433 -0.138 483 HA VAL 58 HA VAL 58 -2.546 9.351 -1.402 484 HB VAL 58 HB VAL 58 -5.528 9.884 -1.347 485 HG11 VAL 58 HG11 VAL 58 -5.051 8.584 -3.327 486 HG12 VAL 58 HG12 VAL 58 -5.675 7.483 -2.101 487 HG13 VAL 58 HG13 VAL 58 -3.952 7.542 -2.437 488 HG21 VAL 58 HG21 VAL 58 -4.776 9.312 0.837 489 HG22 VAL 58 HG22 VAL 58 -3.657 8.106 0.221 490 HG23 VAL 58 HG23 VAL 58 -5.393 7.809 0.158 491 H GLN 59 H GLN 59 -4.905 11.734 -2.611 492 HA GLN 59 HA GLN 59 -4.491 11.165 -5.343 493 HB2 GLN 59 HB2 GLN 59 -5.310 13.912 -4.450 494 HB3 GLN 59 HB3 GLN 59 -5.938 12.929 -5.773 495 HG2 GLN 59 HG2 GLN 59 -6.731 11.326 -3.842 496 HG3 GLN 59 HG3 GLN 59 -6.539 12.749 -2.828 497 HE21 GLN 59 HE21 GLN 59 -8.121 14.413 -2.995 498 HE22 GLN 59 HE22 GLN 59 -9.458 14.319 -4.037 499 H ASP 60 H ASP 60 -2.850 13.323 -3.110 500 HA ASP 60 HA ASP 60 -1.417 14.783 -5.105 501 HB2 ASP 60 HB2 ASP 60 -1.879 15.495 -2.699 502 HB3 ASP 60 HB3 ASP 60 -0.569 14.411 -2.236 503 H SER 61 H SER 61 -0.784 11.800 -3.331 504 HA SER 61 HA SER 61 1.997 11.673 -3.925 505 HB2 SER 61 HB2 SER 61 1.413 10.275 -2.165 506 HB3 SER 61 HB3 SER 61 -0.048 9.704 -2.967 507 HG SER 61 HG SER 61 1.503 8.771 -4.549 508 H MET 62 H MET 62 -0.807 10.012 -5.453 509 HA MET 62 HA MET 62 0.744 8.750 -7.456 510 HB2 MET 62 HB2 MET 62 -1.531 8.714 -8.711 511 HB3 MET 62 HB3 MET 62 -1.388 7.826 -7.196 512 HG2 MET 62 HG2 MET 62 -2.613 9.416 -5.998 513 HG3 MET 62 HG3 MET 62 -2.320 10.687 -7.181 514 HE1 MET 62 HE1 MET 62 -5.216 7.171 -7.375 515 HE2 MET 62 HE2 MET 62 -4.886 8.105 -5.918 516 HE3 MET 62 HE3 MET 62 -3.586 7.195 -6.686 517 H LYS 63 H LYS 63 -0.957 11.857 -7.364 518 HA LYS 63 HA LYS 63 -0.557 12.606 -10.046 519 HB2 LYS 63 HB2 LYS 63 -2.091 13.843 -8.633 520 HB3 LYS 63 HB3 LYS 63 -0.789 14.278 -7.528 521 HG2 LYS 63 HG2 LYS 63 -1.415 16.127 -9.096 522 HG3 LYS 63 HG3 LYS 63 0.274 15.648 -9.238 523 HD2 LYS 63 HD2 LYS 63 -0.085 14.523 -11.281 524 HD3 LYS 63 HD3 LYS 63 -1.825 14.404 -11.017 525 HE2 LYS 63 HE2 LYS 63 -0.334 17.007 -11.465 526 HE3 LYS 63 HE3 LYS 63 -1.212 16.132 -12.720 527 HZ1 LYS 63 HZ1 LYS 63 -3.075 16.256 -10.845 528 HZ2 LYS 63 HZ2 LYS 63 -2.878 17.459 -12.028 529 HZ3 LYS 63 HZ3 LYS 63 -2.228 17.677 -10.474 530 H TYR 64 H TYR 64 1.447 12.897 -7.173 531 HA TYR 64 HA TYR 64 3.501 14.497 -8.279 532 HB2 TYR 64 HB2 TYR 64 3.673 14.445 -5.978 533 HB3 TYR 64 HB3 TYR 64 3.115 12.781 -5.874 534 HD1 TYR 64 HD1 TYR 64 5.989 14.409 -7.670 535 HD2 TYR 64 HD2 TYR 64 4.729 11.469 -4.800 536 HE1 TYR 64 HE1 TYR 64 8.334 13.645 -7.420 537 HE2 TYR 64 HE2 TYR 64 7.073 10.711 -4.546 538 HH TYR 64 HH TYR 64 9.724 12.311 -6.315 539 H LEU 65 H LEU 65 3.118 10.976 -7.975 540 HA LEU 65 HA LEU 65 5.589 10.278 -9.149 541 HB2 LEU 65 HB2 LEU 65 2.976 8.788 -8.909 542 HB3 LEU 65 HB3 LEU 65 4.447 8.049 -9.535 543 HG LEU 65 HG LEU 65 4.512 9.469 -6.871 544 HD11 LEU 65 HD11 LEU 65 4.046 6.514 -6.848 545 HD12 LEU 65 HD12 LEU 65 2.648 7.535 -7.119 546 HD13 LEU 65 HD13 LEU 65 3.596 7.735 -5.662 547 HD21 LEU 65 HD21 LEU 65 6.481 8.282 -8.407 548 HD22 LEU 65 HD22 LEU 65 6.046 6.964 -7.327 549 HD23 LEU 65 HD23 LEU 65 6.576 8.506 -6.667 550 H ASP 66 H ASP 66 2.666 11.450 -10.483 551 HA ASP 66 HA ASP 66 2.788 10.316 -13.068 552 HB2 ASP 66 HB2 ASP 66 0.884 11.627 -11.917 553 HB3 ASP 66 HB3 ASP 66 1.716 13.071 -12.487 554 H GLN 67 H GLN 67 4.368 13.089 -11.603 555 HA GLN 67 HA GLN 67 5.285 14.327 -13.975 556 HB2 GLN 67 HB2 GLN 67 6.615 14.344 -11.257 557 HB3 GLN 67 HB3 GLN 67 6.819 15.534 -12.544 558 HG2 GLN 67 HG2 GLN 67 4.447 16.143 -12.383 559 HG3 GLN 67 HG3 GLN 67 4.205 14.925 -11.133 560 HE21 GLN 67 HE21 GLN 67 4.020 15.999 -9.161 561 HE22 GLN 67 HE22 GLN 67 5.019 17.274 -8.654 562 H LYS 68 H LYS 68 6.981 12.135 -11.714 563 HA LYS 68 HA LYS 68 9.204 11.831 -13.547 564 HB2 LYS 68 HB2 LYS 68 10.073 10.260 -11.844 565 HB3 LYS 68 HB3 LYS 68 9.639 11.825 -11.155 566 HG2 LYS 68 HG2 LYS 68 7.387 10.824 -10.557 567 HG3 LYS 68 HG3 LYS 68 8.035 9.256 -11.033 568 HD2 LYS 68 HD2 LYS 68 9.467 10.988 -9.010 569 HD3 LYS 68 HD3 LYS 68 8.167 9.903 -8.526 570 HE2 LYS 68 HE2 LYS 68 9.406 8.012 -9.609 571 HE3 LYS 68 HE3 LYS 68 10.742 9.120 -9.922 572 HZ1 LYS 68 HZ1 LYS 68 9.656 8.835 -7.201 573 HZ2 LYS 68 HZ2 LYS 68 11.201 9.343 -7.690 574 HZ3 LYS 68 HZ3 LYS 68 10.769 7.702 -7.794 575 H SER 69 H SER 69 6.228 10.187 -12.867 576 HA SER 69 HA SER 69 5.317 8.218 -13.662 577 HB2 SER 69 HB2 SER 69 5.925 7.803 -16.107 578 HB3 SER 69 HB3 SER 69 5.230 9.376 -15.725 579 HG SER 69 HG SER 69 7.469 8.943 -16.939 580 HA PRO 70 HA PRO 70 9.010 5.585 -12.879 581 HB2 PRO 70 HB2 PRO 70 8.163 4.312 -10.666 582 HB3 PRO 70 HB3 PRO 70 8.747 5.987 -10.597 583 HG2 PRO 70 HG2 PRO 70 5.947 4.960 -10.560 584 HG3 PRO 70 HG3 PRO 70 6.663 6.311 -9.663 585 HD2 PRO 70 HD2 PRO 70 5.164 6.555 -12.034 586 HD3 PRO 70 HD3 PRO 70 6.236 7.804 -11.368 587 H THR 71 H THR 71 5.705 4.352 -12.245 588 HA THR 71 HA THR 71 6.246 1.717 -13.092 589 HB THR 71 HB THR 71 3.465 2.202 -13.490 590 HG1 THR 71 HG1 THR 71 4.158 3.360 -11.058 591 HG21 THR 71 HG21 THR 71 3.256 1.064 -11.285 592 HG22 THR 71 HG22 THR 71 4.995 1.242 -11.051 593 HG23 THR 71 HG23 THR 71 4.380 0.236 -12.361 594 HA PRO 72 HA PRO 72 3.974 3.167 -17.281 595 HB2 PRO 72 HB2 PRO 72 5.387 5.822 -17.233 596 HB3 PRO 72 HB3 PRO 72 3.838 5.388 -17.988 597 HG2 PRO 72 HG2 PRO 72 3.901 6.698 -15.678 598 HG3 PRO 72 HG3 PRO 72 2.694 5.433 -15.978 599 HD2 PRO 72 HD2 PRO 72 5.103 5.347 -14.216 600 HD3 PRO 72 HD3 PRO 72 3.569 4.464 -14.074 601 H LYS 73 H LYS 73 5.069 3.113 -19.371 602 HA LYS 73 HA LYS 73 6.772 2.390 -20.736 603 HB2 LYS 73 HB2 LYS 73 8.636 3.987 -18.985 604 HB3 LYS 73 HB3 LYS 73 8.741 3.691 -20.721 605 HG2 LYS 73 HG2 LYS 73 6.635 5.361 -19.314 606 HG3 LYS 73 HG3 LYS 73 7.948 5.971 -20.322 607 HD2 LYS 73 HD2 LYS 73 6.982 4.484 -22.188 608 HD3 LYS 73 HD3 LYS 73 5.549 4.339 -21.169 609 HE2 LYS 73 HE2 LYS 73 5.379 6.824 -21.107 610 HE3 LYS 73 HE3 LYS 73 6.752 6.921 -22.209 611 HZ1 LYS 73 HZ1 LYS 73 5.508 6.306 -23.948 612 HZ2 LYS 73 HZ2 LYS 73 4.193 6.794 -22.989 613 HZ3 LYS 73 HZ3 LYS 73 4.632 5.153 -23.064 614 HA PRO 74 HA PRO 74 8.278 -0.558 -17.404 615 HB2 PRO 74 HB2 PRO 74 6.762 -2.724 -18.046 616 HB3 PRO 74 HB3 PRO 74 6.166 -1.433 -16.982 617 HG2 PRO 74 HG2 PRO 74 5.630 -1.880 -19.889 618 HG3 PRO 74 HG3 PRO 74 4.508 -1.413 -18.598 619 HD2 PRO 74 HD2 PRO 74 5.599 0.398 -20.356 620 HD3 PRO 74 HD3 PRO 74 5.112 0.828 -18.701 621 H1 VAL 208 H1 VAL 208 -11.270 5.342 15.333 622 H2 VAL 208 H2 VAL 208 -12.513 4.195 15.487 623 H3 VAL 208 H3 VAL 208 -12.829 5.703 14.772 624 HA VAL 208 HA VAL 208 -10.822 3.876 13.616 625 HB VAL 208 HB VAL 208 -12.951 2.623 13.858 626 HG11 VAL 208 HG11 VAL 208 -14.155 4.772 12.099 627 HG12 VAL 208 HG12 VAL 208 -14.365 4.737 13.850 628 HG13 VAL 208 HG13 VAL 208 -14.985 3.416 12.860 629 HG21 VAL 208 HG21 VAL 208 -12.563 3.522 10.991 630 HG22 VAL 208 HG22 VAL 208 -13.118 1.947 11.559 631 HG23 VAL 208 HG23 VAL 208 -11.444 2.437 11.815 632 H GLU 209 H GLU 209 -13.200 6.480 13.397 633 HA GLU 209 HA GLU 209 -12.344 7.307 10.761 634 HB2 GLU 209 HB2 GLU 209 -14.673 7.631 11.561 635 HB3 GLU 209 HB3 GLU 209 -14.075 8.762 12.775 636 HG2 GLU 209 HG2 GLU 209 -13.355 10.316 11.128 637 HG3 GLU 209 HG3 GLU 209 -13.495 9.129 9.832 638 H THR 210 H THR 210 -11.168 7.706 13.899 639 HA THR 210 HA THR 210 -10.142 10.368 13.694 640 HB THR 210 HB THR 210 -10.470 9.340 15.875 641 HG1 THR 210 HG1 THR 210 -7.712 9.373 15.784 642 HG21 THR 210 HG21 THR 210 -9.203 7.418 16.601 643 HG22 THR 210 HG22 THR 210 -8.265 7.413 15.108 644 HG23 THR 210 HG23 THR 210 -9.979 7.002 15.073 645 H PHE 211 H PHE 211 -9.537 9.046 11.323 646 HA PHE 211 HA PHE 211 -6.820 8.077 11.380 647 HB2 PHE 211 HB2 PHE 211 -8.897 8.577 9.277 648 HB3 PHE 211 HB3 PHE 211 -7.217 8.494 8.760 649 HD1 PHE 211 HD1 PHE 211 -8.697 6.609 11.621 650 HD2 PHE 211 HD2 PHE 211 -7.263 6.414 7.570 651 HE1 PHE 211 HE1 PHE 211 -8.768 4.138 11.711 652 HE2 PHE 211 HE2 PHE 211 -7.340 3.943 7.670 653 HZ PHE 211 HZ PHE 211 -8.087 2.809 9.735 654 H GLY 212 H GLY 212 -6.025 10.007 12.562 655 HA2 GLY 212 HA2 GLY 212 -4.812 11.862 10.697 656 HA3 GLY 212 HA3 GLY 212 -5.943 12.608 11.822 657 H THR 213 H THR 213 -5.125 13.305 13.685 658 HA THR 213 HA THR 213 -3.785 13.515 15.536 659 HB THR 213 HB THR 213 -2.378 10.936 14.867 660 HG1 THR 213 HG1 THR 213 -4.138 9.847 15.162 661 HG21 THR 213 HG21 THR 213 -3.423 11.903 17.524 662 HG22 THR 213 HG22 THR 213 -1.877 12.468 16.894 663 HG23 THR 213 HG23 THR 213 -2.128 10.750 17.206 664 H THR 214 H THR 214 -1.002 12.109 15.327 665 HA THR 214 HA THR 214 0.411 14.416 14.442 666 HB THR 214 HB THR 214 1.342 12.958 16.157 667 HG1 THR 214 HG1 THR 214 2.966 13.915 15.132 668 HG21 THR 214 HG21 THR 214 0.327 10.864 15.146 669 HG22 THR 214 HG22 THR 214 1.988 10.693 15.718 670 HG23 THR 214 HG23 THR 214 1.662 10.871 13.993 671 H SER 215 H SER 215 2.348 14.033 12.860 672 HA SER 215 HA SER 215 1.225 13.603 10.276 673 HB2 SER 215 HB2 SER 215 4.142 13.845 11.044 674 HB3 SER 215 HB3 SER 215 3.458 14.076 9.438 675 HG SER 215 HG SER 215 3.816 16.030 10.709 676 H TYS 216 H TYS 216 4.273 12.276 10.150 677 HA TYS 216 HA TYS 216 3.585 9.532 10.718 678 HB2 TYS 216 HB2 TYS 216 2.742 10.434 8.265 679 HB3 TYS 216 HB1 TYS 216 4.347 9.843 7.853 680 HD1 TYS 216 HD1 TYS 216 4.389 7.634 7.082 681 HD2 TYS 216 HD2 TYS 216 1.496 8.742 10.061 682 HE1 TYS 216 HE1 TYS 216 3.512 5.313 7.106 683 HE2 TYS 216 HE2 TYS 216 0.621 6.427 10.077 684 H TYS 217 H TYS 217 5.383 8.466 11.283 685 HA TYS 217 HA TYS 217 7.601 8.216 11.878 686 HB2 TYS 217 HB2 TYS 217 8.116 8.935 8.988 687 HB3 TYS 217 HB1 TYS 217 9.096 7.909 10.030 688 HD1 TYS 217 HD1 TYS 217 7.050 7.691 7.321 689 HD2 TYS 217 HD2 TYS 217 7.361 6.027 11.277 690 HE1 TYS 217 HE1 TYS 217 5.762 5.703 6.593 691 HE2 TYS 217 HE2 TYS 217 6.069 4.050 10.545 692 H ASP 218 H ASP 218 6.543 10.847 12.319 693 HA ASP 218 HA ASP 218 8.010 12.998 11.455 694 HB2 ASP 218 HB2 ASP 218 7.260 12.554 14.351 695 HB3 ASP 218 HB3 ASP 218 7.452 14.095 13.517 696 H ASP 219 H ASP 219 8.949 10.547 13.811 697 HA ASP 219 HA ASP 219 11.413 11.874 14.519 698 HB2 ASP 219 HB2 ASP 219 10.424 9.065 15.052 699 HB3 ASP 219 HB3 ASP 219 11.889 9.765 15.739 700 H VAL 220 H VAL 220 10.375 9.461 12.222 701 HA VAL 220 HA VAL 220 11.422 8.497 10.427 702 HB VAL 220 HB VAL 220 13.802 10.279 10.967 703 HG11 VAL 220 HG11 VAL 220 14.093 8.512 9.285 704 HG12 VAL 220 HG12 VAL 220 14.040 10.096 8.511 705 HG13 VAL 220 HG13 VAL 220 12.627 9.042 8.461 706 HG21 VAL 220 HG21 VAL 220 11.891 11.756 10.941 707 HG22 VAL 220 HG22 VAL 220 11.174 10.890 9.583 708 HG23 VAL 220 HG23 VAL 220 12.636 11.847 9.347 709 H GLY 221 H GLY 221 13.447 8.962 13.294 710 HA2 GLY 221 HA2 GLY 221 15.225 6.804 12.762 711 HA3 GLY 221 HA3 GLY 221 14.972 7.576 14.326 712 H LEU 222 H LEU 222 11.988 7.000 13.876 713 HA LEU 222 HA LEU 222 11.650 4.860 15.564 714 HB2 LEU 222 HB2 LEU 222 9.777 6.258 15.011 715 HB3 LEU 222 HB3 LEU 222 9.893 5.842 13.304 716 HG LEU 222 HG LEU 222 9.185 3.576 13.727 717 HD11 LEU 222 HD11 LEU 222 10.277 2.977 15.744 718 HD12 LEU 222 HD12 LEU 222 8.566 2.977 16.168 719 HD13 LEU 222 HD13 LEU 222 9.586 4.343 16.622 720 HD21 LEU 222 HD21 LEU 222 7.467 5.466 13.735 721 HD22 LEU 222 HD22 LEU 222 7.453 5.318 15.493 722 HD23 LEU 222 HD23 LEU 222 6.950 3.957 14.490 723 H LEU 223 H LEU 223 10.726 4.459 12.164 724 HA LEU 223 HA LEU 223 10.761 2.572 10.843 725 HB2 LEU 223 HB2 LEU 223 13.166 3.623 10.879 726 HB3 LEU 223 HB3 LEU 223 13.593 2.178 11.783 727 HG LEU 223 HG LEU 223 14.027 1.764 9.439 728 HD11 LEU 223 HD11 LEU 223 12.831 -0.260 9.150 729 HD12 LEU 223 HD12 LEU 223 11.423 0.350 10.018 730 HD13 LEU 223 HD13 LEU 223 12.910 -0.022 10.895 731 HD21 LEU 223 HD21 LEU 223 12.102 3.538 8.816 732 HD22 LEU 223 HD22 LEU 223 11.154 2.063 8.630 733 HD23 LEU 223 HD23 LEU 223 12.621 2.291 7.686 Start of MODEL 15 1 H1 GLY 1 H1 GLY 1 5.844 -8.380 -9.404 2 H2 GLY 1 H2 GLY 1 7.490 -7.968 -9.503 3 H3 GLY 1 H3 GLY 1 6.298 -6.810 -9.856 4 HA2 GLY 1 HA2 GLY 1 7.485 -6.786 -7.561 5 HA3 GLY 1 HA3 GLY 1 5.754 -6.463 -7.675 6 HA PRO 2 HA PRO 2 6.558 -10.193 -4.918 7 HB2 PRO 2 HB2 PRO 2 5.864 -9.116 -2.517 8 HB3 PRO 2 HB3 PRO 2 7.500 -8.957 -3.189 9 HG2 PRO 2 HG2 PRO 2 5.252 -6.984 -3.204 10 HG3 PRO 2 HG3 PRO 2 6.976 -6.720 -2.884 11 HD2 PRO 2 HD2 PRO 2 5.810 -6.183 -5.316 12 HD3 PRO 2 HD3 PRO 2 7.520 -6.637 -5.141 13 H ALA 3 H ALA 3 4.935 -11.560 -4.061 14 HA ALA 3 HA ALA 3 2.341 -11.251 -5.129 15 HB1 ALA 3 HB1 ALA 3 3.267 -13.058 -2.882 16 HB2 ALA 3 HB2 ALA 3 3.326 -13.446 -4.602 17 HB3 ALA 3 HB3 ALA 3 1.770 -13.234 -3.798 18 H SER 4 H SER 4 0.521 -10.352 -4.351 19 HA SER 4 HA SER 4 0.623 -8.584 -2.134 20 HB2 SER 4 HB2 SER 4 -0.898 -8.194 -4.002 21 HB3 SER 4 HB3 SER 4 -1.754 -9.692 -3.648 22 HG SER 4 HG SER 4 -1.458 -7.958 -1.520 23 H VAL 5 H VAL 5 -1.423 -8.784 -0.541 24 HA VAL 5 HA VAL 5 -1.752 -11.501 0.486 25 HB VAL 5 HB VAL 5 -1.072 -10.661 2.809 26 HG11 VAL 5 HG11 VAL 5 1.263 -11.217 2.438 27 HG12 VAL 5 HG12 VAL 5 1.122 -10.838 0.723 28 HG13 VAL 5 HG13 VAL 5 0.274 -12.233 1.390 29 HG21 VAL 5 HG21 VAL 5 0.349 -8.747 2.954 30 HG22 VAL 5 HG22 VAL 5 -1.028 -8.234 1.977 31 HG23 VAL 5 HG23 VAL 5 0.504 -8.639 1.200 32 HA PRO 6 HA PRO 6 -5.452 -8.546 0.553 33 HB2 PRO 6 HB2 PRO 6 -6.590 -11.304 0.165 34 HB3 PRO 6 HB3 PRO 6 -7.117 -9.761 -0.541 35 HG2 PRO 6 HG2 PRO 6 -5.699 -11.492 -1.972 36 HG3 PRO 6 HG3 PRO 6 -5.414 -9.746 -2.110 37 HD2 PRO 6 HD2 PRO 6 -3.732 -11.823 -0.767 38 HD3 PRO 6 HD3 PRO 6 -3.238 -10.300 -1.541 39 H THR 7 H THR 7 -4.406 -11.378 2.274 40 HA THR 7 HA THR 7 -6.444 -11.492 4.244 41 HB THR 7 HB THR 7 -3.559 -12.312 4.608 42 HG1 THR 7 HG1 THR 7 -4.350 -14.333 3.777 43 HG21 THR 7 HG21 THR 7 -6.179 -13.299 5.768 44 HG22 THR 7 HG22 THR 7 -4.938 -12.387 6.627 45 HG23 THR 7 HG23 THR 7 -4.601 -14.026 6.072 46 H THR 8 H THR 8 -3.322 -9.819 4.095 47 HA THR 8 HA THR 8 -3.584 -8.701 6.740 48 HB THR 8 HB THR 8 -1.728 -7.760 4.552 49 HG1 THR 8 HG1 THR 8 -0.974 -9.656 6.453 50 HG21 THR 8 HG21 THR 8 -2.005 -6.473 6.734 51 HG22 THR 8 HG22 THR 8 -0.364 -7.000 6.361 52 HG23 THR 8 HG23 THR 8 -1.327 -7.884 7.546 53 H CYS 9 H CYS 9 -3.163 -6.989 3.644 54 HA CYS 9 HA CYS 9 -3.988 -4.968 2.919 55 HB2 CYS 9 HB2 CYS 9 -6.025 -6.582 2.936 56 HB3 CYS 9 HB3 CYS 9 -6.553 -5.654 4.339 57 H CYS 10 H CYS 10 -2.817 -5.189 5.695 58 HA CYS 10 HA CYS 10 -2.621 -3.939 7.628 59 HB2 CYS 10 HB2 CYS 10 -2.168 -1.673 7.205 60 HB3 CYS 10 HB3 CYS 10 -1.849 -2.449 5.655 61 H PHE 11 H PHE 11 -3.802 -1.680 8.590 62 HA PHE 11 HA PHE 11 -6.153 -2.553 9.763 63 HB2 PHE 11 HB2 PHE 11 -5.439 0.325 9.141 64 HB3 PHE 11 HB3 PHE 11 -6.550 -0.234 10.392 65 HD1 PHE 11 HD2 PHE 11 -5.723 -1.382 12.400 66 HD2 PHE 11 HD1 PHE 11 -3.029 0.083 9.392 67 HE1 PHE 11 HE2 PHE 11 -3.824 -1.647 13.973 68 HE2 PHE 11 HE1 PHE 11 -1.130 -0.182 10.965 69 HZ PHE 11 HZ PHE 11 -1.527 -1.046 13.255 70 H ASN 12 H ASN 12 -6.141 0.109 7.402 71 HA ASN 12 HA ASN 12 -8.140 -1.160 5.750 72 HB2 ASN 12 HB2 ASN 12 -8.949 1.381 7.172 73 HB3 ASN 12 HB3 ASN 12 -9.933 0.378 6.111 74 HD21 ASN 12 HD21 ASN 12 -10.528 -1.820 6.949 75 HD22 ASN 12 HD22 ASN 12 -10.591 -2.079 8.625 76 H LEU 13 H LEU 13 -7.718 2.309 6.351 77 HA LEU 13 HA LEU 13 -6.351 2.566 3.727 78 HB2 LEU 13 HB2 LEU 13 -8.306 4.563 4.878 79 HB3 LEU 13 HB3 LEU 13 -7.613 4.543 3.260 80 HG LEU 13 HG LEU 13 -9.407 2.355 4.355 81 HD11 LEU 13 HD11 LEU 13 -10.012 4.822 2.721 82 HD12 LEU 13 HD12 LEU 13 -10.792 4.279 4.207 83 HD13 LEU 13 HD13 LEU 13 -11.062 3.405 2.699 84 HD21 LEU 13 HD21 LEU 13 -8.085 1.481 2.579 85 HD22 LEU 13 HD22 LEU 13 -8.201 2.972 1.650 86 HD23 LEU 13 HD23 LEU 13 -9.611 1.928 1.821 87 H ALA 14 H ALA 14 -4.784 2.321 5.920 88 HA ALA 14 HA ALA 14 -3.233 3.375 7.267 89 HB1 ALA 14 HB1 ALA 14 -1.974 5.117 6.153 90 HB2 ALA 14 HB2 ALA 14 -3.316 5.437 5.052 91 HB3 ALA 14 HB3 ALA 14 -2.440 3.910 4.955 92 H ASN 15 H ASN 15 -3.012 6.461 6.895 93 HA ASN 15 HA ASN 15 -5.398 7.477 8.141 94 HB2 ASN 15 HB2 ASN 15 -4.105 8.203 10.235 95 HB3 ASN 15 HB3 ASN 15 -4.592 6.511 10.141 96 HD21 ASN 15 HD21 ASN 15 -2.704 6.186 11.700 97 HD22 ASN 15 HD22 ASN 15 -1.147 6.029 11.042 98 H ARG 16 H ARG 16 -2.412 8.814 9.202 99 HA ARG 16 HA ARG 16 -2.865 11.336 8.117 100 HB2 ARG 16 HB2 ARG 16 -0.133 10.206 8.744 101 HB3 ARG 16 HB3 ARG 16 -0.649 11.890 8.818 102 HG2 ARG 16 HG2 ARG 16 -2.347 11.173 10.567 103 HG3 ARG 16 HG3 ARG 16 -1.529 9.611 10.604 104 HD2 ARG 16 HD2 ARG 16 0.551 10.651 11.282 105 HD3 ARG 16 HD3 ARG 16 -0.138 12.259 11.079 106 HE ARG 16 HE ARG 16 -1.095 12.034 13.174 107 HH11 ARG 16 HH21 ARG 16 -0.262 8.938 11.870 108 HH12 ARG 16 HH22 ARG 16 -0.672 8.067 13.310 109 HH21 ARG 16 HH11 ARG 16 -1.635 10.898 15.065 110 HH22 ARG 16 HH12 ARG 16 -1.450 9.177 15.119 111 H LYS 17 H LYS 17 0.085 9.652 7.101 112 HA LYS 17 HA LYS 17 -0.628 9.377 4.370 113 HB2 LYS 17 HB2 LYS 17 0.617 11.200 3.387 114 HB3 LYS 17 HB3 LYS 17 -0.570 11.870 4.505 115 HG2 LYS 17 HG2 LYS 17 1.298 11.825 6.263 116 HG3 LYS 17 HG3 LYS 17 2.404 11.542 4.920 117 HD2 LYS 17 HD2 LYS 17 1.332 13.613 3.823 118 HD3 LYS 17 HD3 LYS 17 0.646 13.949 5.414 119 HE2 LYS 17 HE2 LYS 17 3.532 13.927 4.566 120 HE3 LYS 17 HE3 LYS 17 2.658 15.146 5.493 121 HZ1 LYS 17 HZ1 LYS 17 4.259 13.567 6.709 122 HZ2 LYS 17 HZ2 LYS 17 3.009 12.426 6.567 123 HZ3 LYS 17 HZ3 LYS 17 2.743 13.880 7.403 124 H ILE 18 H ILE 18 1.909 9.952 3.240 125 HA ILE 18 HA ILE 18 3.812 8.308 4.746 126 HB ILE 18 HB ILE 18 2.542 7.670 2.107 127 HG12 ILE 18 HG12 ILE 18 2.049 6.549 4.396 128 HG13 ILE 18 HG13 ILE 18 2.260 5.521 2.987 129 HG21 ILE 18 HG21 ILE 18 4.816 7.775 1.374 130 HG22 ILE 18 HG22 ILE 18 4.438 6.072 1.617 131 HG23 ILE 18 HG23 ILE 18 5.389 6.938 2.814 132 HD11 ILE 18 HD11 ILE 18 4.515 4.949 3.644 133 HD12 ILE 18 HD12 ILE 18 3.478 4.726 5.048 134 HD13 ILE 18 HD13 ILE 18 4.500 6.147 4.934 135 HA PRO 19 HA PRO 19 6.417 11.627 3.186 136 HB2 PRO 19 HB2 PRO 19 8.896 10.414 3.436 137 HB3 PRO 19 HB3 PRO 19 8.018 11.154 4.786 138 HG2 PRO 19 HG2 PRO 19 8.155 8.280 3.974 139 HG3 PRO 19 HG3 PRO 19 8.268 8.991 5.590 140 HD2 PRO 19 HD2 PRO 19 6.005 7.872 4.766 141 HD3 PRO 19 HD3 PRO 19 5.960 9.346 5.747 142 H LEU 20 H LEU 20 7.000 12.211 1.152 143 HA LEU 20 HA LEU 20 6.746 10.340 -0.984 144 HB2 LEU 20 HB2 LEU 20 7.319 13.263 -0.735 145 HB3 LEU 20 HB3 LEU 20 7.744 12.486 -2.258 146 HG LEU 20 HG LEU 20 5.442 11.639 -2.481 147 HD11 LEU 20 HD11 LEU 20 5.043 13.096 0.143 148 HD12 LEU 20 HD12 LEU 20 4.811 11.376 -0.170 149 HD13 LEU 20 HD13 LEU 20 3.715 12.557 -0.886 150 HD21 LEU 20 HD21 LEU 20 4.425 13.719 -3.065 151 HD22 LEU 20 HD22 LEU 20 6.159 13.972 -3.261 152 HD23 LEU 20 HD23 LEU 20 5.333 14.592 -1.831 153 H GLN 21 H GLN 21 9.470 11.589 0.806 154 HA GLN 21 HA GLN 21 11.515 11.097 -1.069 155 HB2 GLN 21 HB2 GLN 21 12.968 10.927 1.050 156 HB3 GLN 21 HB3 GLN 21 12.097 12.437 0.778 157 HG2 GLN 21 HG2 GLN 21 10.388 11.834 2.344 158 HG3 GLN 21 HG3 GLN 21 10.986 10.178 2.450 159 HE21 GLN 21 HE21 GLN 21 11.381 13.414 3.692 160 HE22 GLN 21 HE22 GLN 21 12.657 13.062 4.755 161 H ARG 22 H ARG 22 9.871 8.937 1.171 162 HA ARG 22 HA ARG 22 11.748 6.750 0.573 163 HB2 ARG 22 HB2 ARG 22 9.421 6.988 2.493 164 HB3 ARG 22 HB3 ARG 22 10.381 5.525 2.283 165 HG2 ARG 22 HG2 ARG 22 12.222 6.397 3.372 166 HG3 ARG 22 HG3 ARG 22 11.943 8.029 2.770 167 HD2 ARG 22 HD2 ARG 22 10.435 8.546 4.472 168 HD3 ARG 22 HD3 ARG 22 10.024 6.858 4.772 169 HE ARG 22 HE ARG 22 12.762 7.307 5.380 170 HH11 ARG 22 HH21 ARG 22 9.549 7.982 6.470 171 HH12 ARG 22 HH22 ARG 22 9.991 8.094 8.141 172 HH21 ARG 22 HH11 ARG 22 13.350 7.449 7.569 173 HH22 ARG 22 HH12 ARG 22 12.143 7.791 8.764 174 H LEU 23 H LEU 23 8.740 7.980 -0.427 175 HA LEU 23 HA LEU 23 7.408 5.616 -1.208 176 HB2 LEU 23 HB2 LEU 23 6.269 7.756 -0.935 177 HB3 LEU 23 HB3 LEU 23 7.259 8.473 -2.189 178 HG LEU 23 HG LEU 23 4.800 7.760 -2.713 179 HD11 LEU 23 HD11 LEU 23 7.224 7.662 -4.393 180 HD12 LEU 23 HD12 LEU 23 5.723 8.526 -4.609 181 HD13 LEU 23 HD13 LEU 23 5.829 6.829 -5.065 182 HD21 LEU 23 HD21 LEU 23 4.364 5.541 -3.309 183 HD22 LEU 23 HD22 LEU 23 5.288 5.374 -1.826 184 HD23 LEU 23 HD23 LEU 23 6.061 5.110 -3.383 185 H GLU 24 H GLU 24 7.742 4.276 -2.882 186 HA GLU 24 HA GLU 24 9.752 5.002 -4.922 187 HB2 GLU 24 HB2 GLU 24 10.232 2.930 -3.779 188 HB3 GLU 24 HB3 GLU 24 8.595 2.343 -4.065 189 HG2 GLU 24 HG2 GLU 24 8.961 2.157 -6.414 190 HG3 GLU 24 HG3 GLU 24 10.456 3.088 -6.326 191 H SER 25 H SER 25 6.612 3.291 -4.702 192 HA SER 25 HA SER 25 5.580 4.717 -6.998 193 HB2 SER 25 HB2 SER 25 7.022 2.829 -7.930 194 HB3 SER 25 HB3 SER 25 5.833 1.723 -7.247 195 HG SER 25 HG SER 25 4.419 2.332 -8.709 196 H TYR 26 H TYR 26 3.369 3.514 -7.653 197 HA TYR 26 HA TYR 26 2.011 2.635 -5.165 198 HB2 TYR 26 HB2 TYR 26 0.078 3.953 -5.686 199 HB3 TYR 26 HB3 TYR 26 1.469 5.029 -5.740 200 HD1 TYR 26 HD2 TYR 26 2.545 5.500 -8.027 201 HD2 TYR 26 HD1 TYR 26 -1.318 3.676 -7.575 202 HE1 TYR 26 HE2 TYR 26 1.995 6.082 -10.374 203 HE2 TYR 26 HE1 TYR 26 -1.867 4.258 -9.921 204 HH TYR 26 HH TYR 26 -0.298 4.719 -12.115 205 H ARG 27 H ARG 27 -0.154 1.603 -5.675 206 HA ARG 27 HA ARG 27 -0.560 0.448 -8.268 207 HB2 ARG 27 HB2 ARG 27 1.407 -0.867 -7.264 208 HB3 ARG 27 HB3 ARG 27 0.236 -1.507 -6.113 209 HG2 ARG 27 HG2 ARG 27 -1.116 -1.914 -8.479 210 HG3 ARG 27 HG3 ARG 27 0.550 -2.097 -9.021 211 HD2 ARG 27 HD2 ARG 27 -0.787 -3.613 -6.763 212 HD3 ARG 27 HD3 ARG 27 -0.334 -4.264 -8.336 213 HE ARG 27 HE ARG 27 1.985 -3.206 -7.196 214 HH11 ARG 27 HH21 ARG 27 -0.373 -5.655 -6.556 215 HH12 ARG 27 HH22 ARG 27 0.732 -6.696 -5.722 216 HH21 ARG 27 HH11 ARG 27 3.440 -4.563 -6.103 217 HH22 ARG 27 HH12 ARG 27 2.891 -6.077 -5.465 218 H ARG 28 H ARG 28 -2.541 -0.684 -8.409 219 HA ARG 28 HA ARG 28 -4.401 -0.062 -6.256 220 HB2 ARG 28 HB2 ARG 28 -4.577 -0.272 -9.076 221 HB3 ARG 28 HB3 ARG 28 -5.573 -1.583 -8.456 222 HG2 ARG 28 HG2 ARG 28 -6.708 0.101 -6.952 223 HG3 ARG 28 HG3 ARG 28 -5.811 1.368 -7.790 224 HD2 ARG 28 HD2 ARG 28 -6.799 0.622 -9.939 225 HD3 ARG 28 HD3 ARG 28 -7.729 -0.597 -9.074 226 HE ARG 28 HE ARG 28 -8.289 1.875 -7.887 227 HH11 ARG 28 HH21 ARG 28 -8.636 0.260 -10.928 228 HH12 ARG 28 HH22 ARG 28 -10.072 1.118 -11.376 229 HH21 ARG 28 HH11 ARG 28 -10.172 3.004 -8.468 230 HH22 ARG 28 HH12 ARG 28 -10.941 2.672 -9.984 231 H ILE 29 H ILE 29 -5.895 -1.673 -5.403 232 HA ILE 29 HA ILE 29 -4.516 -4.230 -4.933 233 HB ILE 29 HB ILE 29 -7.014 -3.533 -3.416 234 HG12 ILE 29 HG12 ILE 29 -4.372 -2.067 -3.095 235 HG13 ILE 29 HG13 ILE 29 -5.922 -1.352 -3.525 236 HG21 ILE 29 HG21 ILE 29 -5.574 -5.575 -3.029 237 HG22 ILE 29 HG22 ILE 29 -5.804 -4.564 -1.606 238 HG23 ILE 29 HG23 ILE 29 -4.288 -4.493 -2.500 239 HD11 ILE 29 HD11 ILE 29 -5.584 -0.954 -1.179 240 HD12 ILE 29 HD12 ILE 29 -5.178 -2.647 -0.892 241 HD13 ILE 29 HD13 ILE 29 -6.826 -2.195 -1.329 242 H THR 30 H THR 30 -7.990 -3.418 -5.032 243 HA THR 30 HA THR 30 -9.756 -4.686 -5.832 244 HB THR 30 HB THR 30 -9.830 -4.704 -8.177 245 HG1 THR 30 HG1 THR 30 -8.243 -5.908 -8.907 246 HG21 THR 30 HG21 THR 30 -9.245 -2.457 -7.099 247 HG22 THR 30 HG22 THR 30 -8.932 -2.600 -8.828 248 HG23 THR 30 HG23 THR 30 -7.601 -2.729 -7.677 249 H SER 31 H SER 31 -9.907 -6.727 -7.688 250 HA SER 31 HA SER 31 -9.789 -9.014 -7.860 251 HB2 SER 31 HB2 SER 31 -7.043 -8.806 -6.628 252 HB3 SER 31 HB3 SER 31 -7.644 -10.025 -7.749 253 HG SER 31 HG SER 31 -6.803 -8.737 -9.190 254 H GLY 32 H GLY 32 -7.755 -8.573 -4.975 255 HA2 GLY 32 HA2 GLY 32 -8.752 -10.678 -3.490 256 HA3 GLY 32 HA3 GLY 32 -8.049 -9.226 -2.784 257 H LYS 33 H LYS 33 -9.348 -7.810 -1.736 258 HA LYS 33 HA LYS 33 -12.093 -7.404 -2.237 259 HB2 LYS 33 HB2 LYS 33 -12.937 -8.481 -0.082 260 HB3 LYS 33 HB3 LYS 33 -12.551 -9.584 -1.403 261 HG2 LYS 33 HG2 LYS 33 -10.333 -10.008 -0.414 262 HG3 LYS 33 HG3 LYS 33 -10.706 -8.898 0.905 263 HD2 LYS 33 HD2 LYS 33 -12.691 -10.344 1.464 264 HD3 LYS 33 HD3 LYS 33 -12.117 -11.502 0.264 265 HE2 LYS 33 HE2 LYS 33 -11.278 -12.223 2.405 266 HE3 LYS 33 HE3 LYS 33 -9.914 -11.557 1.506 267 HZ1 LYS 33 HZ1 LYS 33 -11.416 -9.667 3.118 268 HZ2 LYS 33 HZ2 LYS 33 -9.739 -9.810 2.886 269 HZ3 LYS 33 HZ3 LYS 33 -10.537 -10.829 3.986 270 H CYS 34 H CYS 34 -9.412 -6.217 -1.324 271 HA CYS 34 HA CYS 34 -9.669 -5.163 1.251 272 HB2 CYS 34 HB2 CYS 34 -8.197 -4.297 -1.209 273 HB3 CYS 34 HB3 CYS 34 -8.214 -3.255 0.212 274 HA PRO 35 HA PRO 35 -12.925 -2.184 1.422 275 HB2 PRO 35 HB2 PRO 35 -10.709 -0.164 1.720 276 HB3 PRO 35 HB3 PRO 35 -12.239 -0.288 2.614 277 HG2 PRO 35 HG2 PRO 35 -9.944 -1.185 3.654 278 HG3 PRO 35 HG3 PRO 35 -11.482 -2.017 3.940 279 HD2 PRO 35 HD2 PRO 35 -9.182 -2.895 2.293 280 HD3 PRO 35 HD3 PRO 35 -10.511 -3.860 2.969 281 H GLN 36 H GLN 36 -13.712 -2.210 -0.669 282 HA GLN 36 HA GLN 36 -13.883 -1.707 -2.927 283 HB2 GLN 36 HB2 GLN 36 -14.262 0.719 -3.257 284 HB3 GLN 36 HB3 GLN 36 -15.091 0.100 -1.834 285 HG2 GLN 36 HG2 GLN 36 -13.442 1.032 -0.359 286 HG3 GLN 36 HG3 GLN 36 -12.367 1.418 -1.702 287 HE21 GLN 36 HE21 GLN 36 -15.108 2.536 0.145 288 HE22 GLN 36 HE22 GLN 36 -15.341 3.983 -0.711 289 H LYS 37 H LYS 37 -12.868 0.542 -4.344 290 HA LYS 37 HA LYS 37 -10.306 -0.496 -5.098 291 HB2 LYS 37 HB2 LYS 37 -11.408 2.178 -5.952 292 HB3 LYS 37 HB3 LYS 37 -10.361 1.080 -6.852 293 HG2 LYS 37 HG2 LYS 37 -13.262 0.587 -6.115 294 HG3 LYS 37 HG3 LYS 37 -12.640 0.941 -7.727 295 HD2 LYS 37 HD2 LYS 37 -11.158 -1.137 -7.438 296 HD3 LYS 37 HD3 LYS 37 -12.178 -1.534 -6.055 297 HE2 LYS 37 HE2 LYS 37 -13.024 -2.659 -8.062 298 HE3 LYS 37 HE3 LYS 37 -14.177 -1.438 -7.526 299 HZ1 LYS 37 HZ1 LYS 37 -13.685 -0.070 -9.267 300 HZ2 LYS 37 HZ2 LYS 37 -13.440 -1.577 -10.010 301 HZ3 LYS 37 HZ3 LYS 37 -12.112 -0.671 -9.459 302 H ALA 38 H ALA 38 -8.297 0.225 -4.597 303 HA ALA 38 HA ALA 38 -7.884 2.802 -3.351 304 HB1 ALA 38 HB1 ALA 38 -6.597 1.147 -1.485 305 HB2 ALA 38 HB2 ALA 38 -8.158 0.377 -1.748 306 HB3 ALA 38 HB3 ALA 38 -8.087 2.055 -1.212 307 H VAL 39 H VAL 39 -5.586 3.259 -2.992 308 HA VAL 39 HA VAL 39 -3.864 1.730 -4.858 309 HB VAL 39 HB VAL 39 -2.683 3.740 -5.322 310 HG11 VAL 39 HG11 VAL 39 -5.051 3.410 -6.279 311 HG12 VAL 39 HG12 VAL 39 -4.369 5.030 -6.374 312 HG13 VAL 39 HG13 VAL 39 -5.557 4.649 -5.129 313 HG21 VAL 39 HG21 VAL 39 -3.460 5.902 -4.135 314 HG22 VAL 39 HG22 VAL 39 -2.440 4.794 -3.215 315 HG23 VAL 39 HG23 VAL 39 -4.184 4.826 -2.936 316 H ILE 40 H ILE 40 -1.747 1.243 -4.221 317 HA ILE 40 HA ILE 40 -1.251 1.399 -1.296 318 HB ILE 40 HB ILE 40 -0.761 -0.777 -3.329 319 HG12 ILE 40 HG12 ILE 40 -1.950 -0.877 -0.548 320 HG13 ILE 40 HG13 ILE 40 -2.911 -0.599 -2.000 321 HG21 ILE 40 HG21 ILE 40 1.347 -0.670 -2.180 322 HG22 ILE 40 HG22 ILE 40 0.437 -1.988 -1.454 323 HG23 ILE 40 HG23 ILE 40 0.555 -0.439 -0.624 324 HD11 ILE 40 HD11 ILE 40 -2.903 -2.991 -1.368 325 HD12 ILE 40 HD12 ILE 40 -1.146 -3.016 -1.507 326 HD13 ILE 40 HD13 ILE 40 -2.139 -2.740 -2.937 327 H PHE 41 H PHE 41 0.199 3.012 -1.004 328 HA PHE 41 HA PHE 41 2.347 3.486 -2.905 329 HB2 PHE 41 HB2 PHE 41 1.879 4.691 -0.162 330 HB3 PHE 41 HB3 PHE 41 3.026 5.270 -1.366 331 HD1 PHE 41 HD2 PHE 41 2.095 5.966 -3.684 332 HD2 PHE 41 HD1 PHE 41 -0.351 5.418 -0.198 333 HE1 PHE 41 HE2 PHE 41 0.303 7.318 -4.730 334 HE2 PHE 41 HE1 PHE 41 -2.129 6.762 -1.238 335 HZ PHE 41 HZ PHE 41 -1.812 7.720 -3.510 336 H LYS 42 H LYS 42 4.157 2.296 -2.897 337 HA LYS 42 HA LYS 42 4.880 0.803 -0.457 338 HB2 LYS 42 HB2 LYS 42 6.473 -0.364 -2.067 339 HB3 LYS 42 HB3 LYS 42 4.750 -0.627 -2.337 340 HG2 LYS 42 HG2 LYS 42 4.696 0.888 -4.169 341 HG3 LYS 42 HG3 LYS 42 6.275 1.558 -3.761 342 HD2 LYS 42 HD2 LYS 42 6.363 -0.026 -5.696 343 HD3 LYS 42 HD3 LYS 42 7.366 -0.542 -4.340 344 HE2 LYS 42 HE2 LYS 42 5.852 -2.325 -5.438 345 HE3 LYS 42 HE3 LYS 42 5.820 -2.209 -3.679 346 HZ1 LYS 42 HZ1 LYS 42 3.735 -1.408 -3.680 347 HZ2 LYS 42 HZ2 LYS 42 3.639 -2.160 -5.201 348 HZ3 LYS 42 HZ3 LYS 42 3.954 -0.494 -5.092 349 H THR 43 H THR 43 6.812 1.003 0.544 350 HA THR 43 HA THR 43 8.848 2.824 -0.514 351 HB THR 43 HB THR 43 8.066 4.548 0.767 352 HG1 THR 43 HG1 THR 43 9.846 3.560 2.000 353 HG21 THR 43 HG21 THR 43 6.472 2.421 2.196 354 HG22 THR 43 HG22 THR 43 5.883 3.719 1.156 355 HG23 THR 43 HG23 THR 43 6.510 4.090 2.763 356 H LYS 44 H LYS 44 10.861 2.697 0.733 357 HA LYS 44 HA LYS 44 11.487 -0.015 1.373 358 HB2 LYS 44 HB2 LYS 44 13.726 0.968 2.001 359 HB3 LYS 44 HB3 LYS 44 13.192 1.324 0.357 360 HG2 LYS 44 HG2 LYS 44 12.563 3.544 0.925 361 HG3 LYS 44 HG3 LYS 44 12.630 3.206 2.654 362 HD2 LYS 44 HD2 LYS 44 14.615 4.469 2.017 363 HD3 LYS 44 HD3 LYS 44 15.091 2.825 2.442 364 HE2 LYS 44 HE2 LYS 44 15.359 2.199 0.165 365 HE3 LYS 44 HE3 LYS 44 14.491 3.623 -0.411 366 HZ1 LYS 44 HZ1 LYS 44 17.112 3.508 -0.371 367 HZ2 LYS 44 HZ2 LYS 44 16.875 4.063 1.217 368 HZ3 LYS 44 HZ3 LYS 44 16.276 4.958 -0.096 369 H LEU 45 H LEU 45 9.427 1.006 3.092 370 HA LEU 45 HA LEU 45 10.632 1.571 5.659 371 HB2 LEU 45 HB2 LEU 45 7.953 1.619 4.498 372 HB3 LEU 45 HB3 LEU 45 7.922 0.819 6.060 373 HG LEU 45 HG LEU 45 7.497 3.177 6.381 374 HD11 LEU 45 HD11 LEU 45 10.329 3.161 7.301 375 HD12 LEU 45 HD12 LEU 45 9.342 1.796 7.823 376 HD13 LEU 45 HD13 LEU 45 8.842 3.440 8.202 377 HD21 LEU 45 HD21 LEU 45 9.907 3.505 4.608 378 HD22 LEU 45 HD22 LEU 45 9.517 4.765 5.777 379 HD23 LEU 45 HD23 LEU 45 8.345 4.319 4.541 380 H ALA 46 H ALA 46 8.179 -0.925 5.093 381 HA ALA 46 HA ALA 46 9.888 -3.139 5.609 382 HB1 ALA 46 HB1 ALA 46 9.372 -3.663 7.861 383 HB2 ALA 46 HB2 ALA 46 8.107 -2.437 7.939 384 HB3 ALA 46 HB3 ALA 46 9.801 -1.952 7.873 385 H LYS 47 H LYS 47 6.905 -1.713 4.917 386 HA LYS 47 HA LYS 47 5.830 -4.204 3.968 387 HB2 LYS 47 HB2 LYS 47 3.650 -3.757 5.410 388 HB3 LYS 47 HB3 LYS 47 4.991 -4.682 6.079 389 HG2 LYS 47 HG2 LYS 47 4.168 -2.939 7.653 390 HG3 LYS 47 HG3 LYS 47 5.857 -2.699 7.207 391 HD2 LYS 47 HD2 LYS 47 5.322 -0.923 5.718 392 HD3 LYS 47 HD3 LYS 47 3.606 -1.330 5.726 393 HE2 LYS 47 HE2 LYS 47 5.060 -0.492 8.240 394 HE3 LYS 47 HE3 LYS 47 4.318 0.684 7.156 395 HZ1 LYS 47 HZ1 LYS 47 2.391 0.263 8.127 396 HZ2 LYS 47 HZ2 LYS 47 3.087 -0.949 9.095 397 HZ3 LYS 47 HZ3 LYS 47 2.459 -1.337 7.564 398 H ASP 48 H ASP 48 3.460 -3.805 3.205 399 HA ASP 48 HA ASP 48 3.539 -1.434 1.522 400 HB2 ASP 48 HB2 ASP 48 1.663 -3.795 1.685 401 HB3 ASP 48 HB3 ASP 48 1.424 -2.445 0.583 402 H ILE 49 H ILE 49 1.908 0.144 1.419 403 HA ILE 49 HA ILE 49 0.337 0.481 3.919 404 HB ILE 49 HB ILE 49 1.064 2.686 1.992 405 HG12 ILE 49 HG12 ILE 49 3.173 1.586 2.638 406 HG13 ILE 49 HG13 ILE 49 3.031 3.166 3.389 407 HG21 ILE 49 HG21 ILE 49 -0.645 3.210 3.630 408 HG22 ILE 49 HG22 ILE 49 0.841 4.042 4.081 409 HG23 ILE 49 HG23 ILE 49 0.356 2.580 4.938 410 HD11 ILE 49 HD11 ILE 49 3.835 1.606 5.056 411 HD12 ILE 49 HD12 ILE 49 2.522 0.485 4.706 412 HD13 ILE 49 HD13 ILE 49 2.179 2.035 5.472 413 H CYS 50 H CYS 50 -1.825 1.105 3.778 414 HA CYS 50 HA CYS 50 -3.092 0.641 1.143 415 HB2 CYS 50 HB2 CYS 50 -4.589 0.875 3.748 416 HB3 CYS 50 HB3 CYS 50 -5.019 -0.024 2.292 417 H ALA 51 H ALA 51 -4.794 2.093 0.433 418 HA ALA 51 HA ALA 51 -5.321 4.553 1.783 419 HB1 ALA 51 HB1 ALA 51 -3.265 5.441 1.220 420 HB2 ALA 51 HB2 ALA 51 -4.163 5.868 -0.234 421 HB3 ALA 51 HB3 ALA 51 -3.116 4.452 -0.229 422 H ASP 52 H ASP 52 -6.857 5.837 0.742 423 HA ASP 52 HA ASP 52 -8.178 4.605 -1.603 424 HB2 ASP 52 HB2 ASP 52 -9.514 4.498 0.455 425 HB3 ASP 52 HB3 ASP 52 -9.359 6.245 0.652 426 HA PRO 53 HA PRO 53 -7.193 8.528 -3.561 427 HB2 PRO 53 HB2 PRO 53 -8.849 8.406 -5.742 428 HB3 PRO 53 HB3 PRO 53 -7.354 7.461 -5.605 429 HG2 PRO 53 HG2 PRO 53 -10.175 6.614 -5.102 430 HG3 PRO 53 HG3 PRO 53 -8.866 5.748 -5.935 431 HD2 PRO 53 HD2 PRO 53 -9.566 5.197 -3.357 432 HD3 PRO 53 HD3 PRO 53 -7.898 5.024 -3.953 433 H LYS 54 H LYS 54 -8.502 9.159 -1.433 434 HA LYS 54 HA LYS 54 -10.588 11.048 -2.317 435 HB2 LYS 54 HB2 LYS 54 -10.804 9.107 -0.003 436 HB3 LYS 54 HB3 LYS 54 -11.833 10.526 -0.166 437 HG2 LYS 54 HG2 LYS 54 -11.618 8.602 -2.476 438 HG3 LYS 54 HG3 LYS 54 -12.637 8.183 -1.106 439 HD2 LYS 54 HD2 LYS 54 -14.043 10.065 -1.422 440 HD3 LYS 54 HD3 LYS 54 -12.884 10.861 -2.484 441 HE2 LYS 54 HE2 LYS 54 -13.202 9.025 -4.147 442 HE3 LYS 54 HE3 LYS 54 -14.445 8.338 -3.101 443 HZ1 LYS 54 HZ1 LYS 54 -15.902 9.969 -3.601 444 HZ2 LYS 54 HZ2 LYS 54 -14.983 10.062 -5.028 445 HZ3 LYS 54 HZ3 LYS 54 -14.706 11.161 -3.762 446 H LYS 55 H LYS 55 -8.096 10.066 -0.085 447 HA LYS 55 HA LYS 55 -8.241 12.547 1.441 448 HB2 LYS 55 HB2 LYS 55 -5.867 10.812 1.822 449 HB3 LYS 55 HB3 LYS 55 -6.969 11.478 3.016 450 HG2 LYS 55 HG2 LYS 55 -8.660 9.765 2.387 451 HG3 LYS 55 HG3 LYS 55 -7.517 9.076 1.239 452 HD2 LYS 55 HD2 LYS 55 -6.139 8.208 2.894 453 HD3 LYS 55 HD3 LYS 55 -6.618 9.417 4.086 454 HE2 LYS 55 HE2 LYS 55 -7.484 6.967 4.356 455 HE3 LYS 55 HE3 LYS 55 -8.614 8.298 4.601 456 HZ1 LYS 55 HZ1 LYS 55 -9.846 7.524 2.954 457 HZ2 LYS 55 HZ2 LYS 55 -8.773 6.224 2.740 458 HZ3 LYS 55 HZ3 LYS 55 -8.548 7.667 1.872 459 H LYS 56 H LYS 56 -6.861 14.246 1.261 460 HA LYS 56 HA LYS 56 -5.836 14.997 -1.146 461 HB2 LYS 56 HB2 LYS 56 -6.137 16.399 0.951 462 HB3 LYS 56 HB3 LYS 56 -4.541 15.832 1.446 463 HG2 LYS 56 HG2 LYS 56 -3.724 16.630 -0.858 464 HG3 LYS 56 HG3 LYS 56 -5.264 17.479 -0.983 465 HD2 LYS 56 HD2 LYS 56 -3.159 17.852 1.165 466 HD3 LYS 56 HD3 LYS 56 -3.614 19.015 -0.080 467 HE2 LYS 56 HE2 LYS 56 -4.798 19.757 1.818 468 HE3 LYS 56 HE3 LYS 56 -6.005 18.833 0.924 469 HZ1 LYS 56 HZ1 LYS 56 -5.270 18.429 3.517 470 HZ2 LYS 56 HZ2 LYS 56 -4.453 17.196 2.681 471 HZ3 LYS 56 HZ3 LYS 56 -6.140 17.343 2.548 472 H TRP 57 H TRP 57 -3.764 13.682 1.497 473 HA TRP 57 HA TRP 57 -1.394 13.753 0.044 474 HB2 TRP 57 HB2 TRP 57 -0.432 12.353 1.667 475 HB3 TRP 57 HB3 TRP 57 -1.673 13.256 2.523 476 HD1 TRP 57 HD1 TRP 57 -3.933 11.953 3.158 477 HE1 TRP 57 HE1 TRP 57 -4.379 9.447 3.559 478 HE3 TRP 57 HE3 TRP 57 0.219 9.930 0.937 479 HZ2 TRP 57 HZ2 TRP 57 -3.147 6.928 3.020 480 HZ3 TRP 57 HZ3 TRP 57 0.546 7.476 0.897 481 HH2 TRP 57 HH2 TRP 57 -1.125 5.976 1.940 482 H VAL 58 H VAL 58 -3.993 11.418 -0.152 483 HA VAL 58 HA VAL 58 -2.447 9.423 -1.502 484 HB VAL 58 HB VAL 58 -5.432 9.892 -1.364 485 HG11 VAL 58 HG11 VAL 58 -5.590 7.534 -2.166 486 HG12 VAL 58 HG12 VAL 58 -3.865 7.547 -2.466 487 HG13 VAL 58 HG13 VAL 58 -4.915 8.608 -3.384 488 HG21 VAL 58 HG21 VAL 58 -5.260 7.896 0.174 489 HG22 VAL 58 HG22 VAL 58 -4.471 9.348 0.783 490 HG23 VAL 58 HG23 VAL 58 -3.507 8.061 0.086 491 H GLN 59 H GLN 59 -4.891 11.759 -2.665 492 HA GLN 59 HA GLN 59 -4.548 11.211 -5.398 493 HB2 GLN 59 HB2 GLN 59 -5.268 13.968 -4.427 494 HB3 GLN 59 HB3 GLN 59 -5.899 13.072 -5.809 495 HG2 GLN 59 HG2 GLN 59 -6.753 11.396 -3.927 496 HG3 GLN 59 HG3 GLN 59 -6.597 12.811 -2.895 497 HE21 GLN 59 HE21 GLN 59 -8.673 11.245 -5.116 498 HE22 GLN 59 HE22 GLN 59 -9.760 12.527 -5.352 499 H ASP 60 H ASP 60 -2.793 13.329 -3.224 500 HA ASP 60 HA ASP 60 -1.368 14.749 -5.255 501 HB2 ASP 60 HB2 ASP 60 -1.786 15.461 -2.832 502 HB3 ASP 60 HB3 ASP 60 -0.470 14.369 -2.403 503 H SER 61 H SER 61 -0.669 11.882 -3.300 504 HA SER 61 HA SER 61 2.057 11.660 -3.951 505 HB2 SER 61 HB2 SER 61 0.107 9.466 -3.249 506 HB3 SER 61 HB3 SER 61 1.864 9.343 -3.190 507 HG SER 61 HG SER 61 1.634 10.103 -1.247 508 H MET 62 H MET 62 -0.756 9.984 -5.461 509 HA MET 62 HA MET 62 0.811 8.655 -7.411 510 HB2 MET 62 HB2 MET 62 -1.457 8.618 -8.699 511 HB3 MET 62 HB3 MET 62 -1.324 7.739 -7.177 512 HG2 MET 62 HG2 MET 62 -2.538 9.349 -5.997 513 HG3 MET 62 HG3 MET 62 -2.256 10.603 -7.200 514 HE1 MET 62 HE1 MET 62 -3.535 7.209 -6.477 515 HE2 MET 62 HE2 MET 62 -5.089 7.048 -7.294 516 HE3 MET 62 HE3 MET 62 -4.944 8.112 -5.897 517 H LYS 63 H LYS 63 -0.866 11.776 -7.429 518 HA LYS 63 HA LYS 63 -0.406 12.432 -10.123 519 HB2 LYS 63 HB2 LYS 63 -1.961 13.742 -8.835 520 HB3 LYS 63 HB3 LYS 63 -0.719 14.162 -7.659 521 HG2 LYS 63 HG2 LYS 63 -1.227 16.001 -9.291 522 HG3 LYS 63 HG3 LYS 63 0.460 15.513 -9.303 523 HD2 LYS 63 HD2 LYS 63 0.190 14.277 -11.333 524 HD3 LYS 63 HD3 LYS 63 -1.568 14.367 -11.232 525 HE2 LYS 63 HE2 LYS 63 -0.799 15.981 -12.868 526 HE3 LYS 63 HE3 LYS 63 -1.380 16.857 -11.453 527 HZ1 LYS 63 HZ1 LYS 63 0.617 17.728 -11.148 528 HZ2 LYS 63 HZ2 LYS 63 1.115 17.036 -12.617 529 HZ3 LYS 63 HZ3 LYS 63 1.356 16.201 -11.157 530 H TYR 64 H TYR 64 1.484 13.054 -7.191 531 HA TYR 64 HA TYR 64 3.582 14.515 -8.333 532 HB2 TYR 64 HB2 TYR 64 3.760 14.569 -6.037 533 HB3 TYR 64 HB3 TYR 64 3.128 12.938 -5.855 534 HD1 TYR 64 HD1 TYR 64 6.098 14.347 -7.679 535 HD2 TYR 64 HD2 TYR 64 4.665 11.613 -4.690 536 HE1 TYR 64 HE1 TYR 64 8.402 13.494 -7.352 537 HE2 TYR 64 HE2 TYR 64 6.970 10.767 -4.359 538 HH TYR 64 HH TYR 64 9.731 12.272 -5.966 539 H LEU 65 H LEU 65 3.043 11.034 -8.073 540 HA LEU 65 HA LEU 65 5.587 10.283 -9.119 541 HB2 LEU 65 HB2 LEU 65 2.979 8.822 -8.754 542 HB3 LEU 65 HB3 LEU 65 4.390 8.040 -9.462 543 HG LEU 65 HG LEU 65 4.654 9.499 -6.833 544 HD11 LEU 65 HD11 LEU 65 2.761 7.559 -6.948 545 HD12 LEU 65 HD12 LEU 65 3.770 7.816 -5.544 546 HD13 LEU 65 HD13 LEU 65 4.178 6.554 -6.700 547 HD21 LEU 65 HD21 LEU 65 6.514 8.290 -8.464 548 HD22 LEU 65 HD22 LEU 65 6.114 6.963 -7.384 549 HD23 LEU 65 HD23 LEU 65 6.705 8.486 -6.726 550 H ASP 66 H ASP 66 2.685 11.406 -10.531 551 HA ASP 66 HA ASP 66 2.940 10.175 -13.092 552 HB2 ASP 66 HB2 ASP 66 0.882 11.326 -11.981 553 HB3 ASP 66 HB3 ASP 66 1.566 12.814 -12.623 554 H GLN 67 H GLN 67 4.165 13.115 -11.625 555 HA GLN 67 HA GLN 67 5.044 14.349 -14.041 556 HB2 GLN 67 HB2 GLN 67 5.942 14.780 -11.184 557 HB3 GLN 67 HB3 GLN 67 6.311 15.842 -12.544 558 HG2 GLN 67 HG2 GLN 67 3.498 15.129 -11.670 559 HG3 GLN 67 HG3 GLN 67 4.336 16.599 -11.180 560 HE21 GLN 67 HE21 GLN 67 2.528 15.108 -13.746 561 HE22 GLN 67 HE22 GLN 67 2.656 16.387 -14.854 562 H LYS 68 H LYS 68 6.078 11.548 -12.664 563 HA LYS 68 HA LYS 68 8.733 11.785 -13.938 564 HB2 LYS 68 HB2 LYS 68 9.778 10.580 -12.060 565 HB3 LYS 68 HB3 LYS 68 9.111 12.128 -11.537 566 HG2 LYS 68 HG2 LYS 68 6.998 10.829 -10.902 567 HG3 LYS 68 HG3 LYS 68 7.960 9.366 -11.106 568 HD2 LYS 68 HD2 LYS 68 8.718 11.662 -9.275 569 HD3 LYS 68 HD3 LYS 68 7.903 10.195 -8.738 570 HE2 LYS 68 HE2 LYS 68 10.176 9.736 -8.321 571 HE3 LYS 68 HE3 LYS 68 9.886 8.940 -9.866 572 HZ1 LYS 68 HZ1 LYS 68 11.755 10.907 -9.303 573 HZ2 LYS 68 HZ2 LYS 68 10.582 11.644 -10.287 574 HZ3 LYS 68 HZ3 LYS 68 11.383 10.242 -10.818 575 H SER 69 H SER 69 9.772 9.455 -13.844 576 HA SER 69 HA SER 69 7.713 7.544 -14.807 577 HB2 SER 69 HB2 SER 69 10.632 7.671 -15.574 578 HB3 SER 69 HB3 SER 69 9.387 6.651 -16.288 579 HG SER 69 HG SER 69 9.733 9.446 -16.445 580 HA PRO 70 HA PRO 70 9.731 5.492 -11.215 581 HB2 PRO 70 HB2 PRO 70 7.527 4.655 -9.913 582 HB3 PRO 70 HB3 PRO 70 8.057 6.349 -9.838 583 HG2 PRO 70 HG2 PRO 70 5.872 5.123 -11.459 584 HG3 PRO 70 HG3 PRO 70 5.910 6.681 -10.616 585 HD2 PRO 70 HD2 PRO 70 6.380 6.336 -13.356 586 HD3 PRO 70 HD3 PRO 70 6.879 7.757 -12.414 587 H THR 71 H THR 71 6.996 4.297 -13.143 588 HA THR 71 HA THR 71 8.398 1.882 -13.810 589 HB THR 71 HB THR 71 7.707 0.861 -11.847 590 HG1 THR 71 HG1 THR 71 6.659 -0.515 -13.043 591 HG21 THR 71 HG21 THR 71 5.358 2.754 -11.983 592 HG22 THR 71 HG22 THR 71 6.623 2.665 -10.757 593 HG23 THR 71 HG23 THR 71 5.399 1.400 -10.854 594 HA PRO 72 HA PRO 72 5.630 2.350 -17.247 595 HB2 PRO 72 HB2 PRO 72 5.663 -0.152 -18.339 596 HB3 PRO 72 HB3 PRO 72 7.066 0.935 -18.402 597 HG2 PRO 72 HG2 PRO 72 6.523 -1.334 -16.531 598 HG3 PRO 72 HG3 PRO 72 8.024 -0.908 -17.375 599 HD2 PRO 72 HD2 PRO 72 7.589 -0.260 -14.757 600 HD3 PRO 72 HD3 PRO 72 8.580 0.745 -15.836 601 H LYS 73 H LYS 73 4.785 -1.000 -16.881 602 HA LYS 73 HA LYS 73 2.454 -0.655 -15.270 603 HB2 LYS 73 HB2 LYS 73 0.840 -1.175 -17.183 604 HB3 LYS 73 HB3 LYS 73 1.470 0.472 -17.115 605 HG2 LYS 73 HG2 LYS 73 3.021 0.068 -18.872 606 HG3 LYS 73 HG3 LYS 73 2.805 -1.679 -18.766 607 HD2 LYS 73 HD2 LYS 73 0.481 -1.454 -19.542 608 HD3 LYS 73 HD3 LYS 73 0.673 0.298 -19.628 609 HE2 LYS 73 HE2 LYS 73 2.218 -1.754 -21.239 610 HE3 LYS 73 HE3 LYS 73 0.978 -0.662 -21.854 611 HZ1 LYS 73 HZ1 LYS 73 2.499 1.150 -20.861 612 HZ2 LYS 73 HZ2 LYS 73 2.913 0.449 -22.353 613 HZ3 LYS 73 HZ3 LYS 73 3.704 -0.043 -20.931 614 HA PRO 74 HA PRO 74 4.463 -4.905 -15.874 615 HB2 PRO 74 HB2 PRO 74 3.555 -4.821 -13.008 616 HB3 PRO 74 HB3 PRO 74 5.022 -5.545 -13.703 617 HG2 PRO 74 HG2 PRO 74 5.130 -3.213 -12.435 618 HG3 PRO 74 HG3 PRO 74 6.100 -3.506 -13.891 619 HD2 PRO 74 HD2 PRO 74 3.646 -1.825 -13.576 620 HD3 PRO 74 HD3 PRO 74 5.007 -1.630 -14.701 621 H1 VAL 208 H1 VAL 208 -5.479 12.763 13.200 622 H2 VAL 208 H2 VAL 208 -6.771 12.645 14.297 623 H3 VAL 208 H3 VAL 208 -6.997 12.228 12.665 624 HA VAL 208 HA VAL 208 -5.158 10.500 13.084 625 HB VAL 208 HB VAL 208 -6.199 11.041 15.883 626 HG11 VAL 208 HG11 VAL 208 -4.333 8.934 14.757 627 HG12 VAL 208 HG12 VAL 208 -5.891 8.664 15.537 628 HG13 VAL 208 HG13 VAL 208 -4.525 9.258 16.481 629 HG21 VAL 208 HG21 VAL 208 -3.491 11.437 14.577 630 HG22 VAL 208 HG22 VAL 208 -3.747 11.480 16.321 631 HG23 VAL 208 HG23 VAL 208 -4.522 12.680 15.287 632 H GLU 209 H GLU 209 -8.035 10.733 15.189 633 HA GLU 209 HA GLU 209 -9.062 8.222 14.231 634 HB2 GLU 209 HB2 GLU 209 -11.001 8.755 15.685 635 HB3 GLU 209 HB3 GLU 209 -9.464 8.906 16.536 636 HG2 GLU 209 HG2 GLU 209 -9.491 11.354 16.094 637 HG3 GLU 209 HG3 GLU 209 -11.071 11.177 15.330 638 H THR 210 H THR 210 -8.674 10.071 12.114 639 HA THR 210 HA THR 210 -11.228 9.902 10.841 640 HB THR 210 HB THR 210 -11.796 11.866 12.084 641 HG1 THR 210 HG1 THR 210 -11.304 13.456 10.127 642 HG21 THR 210 HG21 THR 210 -10.324 13.878 12.043 643 HG22 THR 210 HG22 THR 210 -9.101 12.930 11.196 644 HG23 THR 210 HG23 THR 210 -9.568 12.499 12.841 645 H PHE 211 H PHE 211 -8.389 9.189 10.457 646 HA PHE 211 HA PHE 211 -6.721 9.275 8.859 647 HB2 PHE 211 HB2 PHE 211 -9.154 9.678 7.102 648 HB3 PHE 211 HB3 PHE 211 -7.577 9.098 6.568 649 HD1 PHE 211 HD1 PHE 211 -10.337 8.339 8.978 650 HD2 PHE 211 HD2 PHE 211 -7.067 6.791 6.658 651 HE1 PHE 211 HE1 PHE 211 -10.979 6.030 9.612 652 HE2 PHE 211 HE2 PHE 211 -7.712 4.483 7.294 653 HZ PHE 211 HZ PHE 211 -9.667 4.103 8.770 654 H GLY 212 H GLY 212 -6.514 11.585 10.045 655 HA2 GLY 212 HA2 GLY 212 -7.092 13.926 8.576 656 HA3 GLY 212 HA3 GLY 212 -5.861 13.780 9.826 657 H THR 213 H THR 213 -4.434 15.113 8.626 658 HA THR 213 HA THR 213 -2.864 13.647 6.653 659 HB THR 213 HB THR 213 -2.913 15.549 5.044 660 HG1 THR 213 HG1 THR 213 -4.415 16.584 7.064 661 HG21 THR 213 HG21 THR 213 -4.954 14.905 4.005 662 HG22 THR 213 HG22 THR 213 -5.709 14.525 5.553 663 HG23 THR 213 HG23 THR 213 -4.430 13.490 4.918 664 H THR 214 H THR 214 -1.204 13.705 8.173 665 HA THR 214 HA THR 214 0.290 16.208 8.256 666 HB THR 214 HB THR 214 0.572 16.084 10.729 667 HG1 THR 214 HG1 THR 214 -0.317 14.517 11.800 668 HG21 THR 214 HG21 THR 214 -1.184 17.512 9.532 669 HG22 THR 214 HG22 THR 214 -1.468 17.191 11.243 670 HG23 THR 214 HG23 THR 214 -2.355 16.285 10.017 671 H SER 215 H SER 215 2.147 15.408 10.215 672 HA SER 215 HA SER 215 4.010 13.963 8.816 673 HB2 SER 215 HB2 SER 215 4.977 13.370 11.087 674 HB3 SER 215 HB3 SER 215 4.685 15.085 10.810 675 HG SER 215 HG SER 215 2.964 13.268 12.161 676 H TYS 216 H TYS 216 4.922 11.744 9.582 677 HA TYS 216 HA TYS 216 2.909 9.795 10.343 678 HB2 TYS 216 HB2 TYS 216 2.533 10.091 7.898 679 HB3 TYS 216 HB1 TYS 216 4.205 9.607 7.613 680 HD1 TYS 216 HD1 TYS 216 4.611 7.347 7.172 681 HD2 TYS 216 HD2 TYS 216 1.185 8.436 9.525 682 HE1 TYS 216 HE1 TYS 216 3.942 4.960 7.314 683 HE2 TYS 216 HE2 TYS 216 0.517 6.054 9.659 684 H TYS 217 H TYS 217 6.077 10.883 10.052 685 HA TYS 217 HA TYS 217 7.081 8.557 11.497 686 HB2 TYS 217 HB2 TYS 217 8.021 9.333 8.741 687 HB3 TYS 217 HB1 TYS 217 9.165 8.635 9.883 688 HD1 TYS 217 HD1 TYS 217 6.983 7.814 7.291 689 HD2 TYS 217 HD2 TYS 217 8.106 6.504 11.230 690 HE1 TYS 217 HE1 TYS 217 6.144 5.537 6.777 691 HE2 TYS 217 HE2 TYS 217 7.259 4.235 10.713 692 H ASP 218 H ASP 218 6.670 10.806 12.734 693 HA ASP 218 HA ASP 218 8.829 12.699 12.533 694 HB2 ASP 218 HB2 ASP 218 6.500 13.233 13.349 695 HB3 ASP 218 HB3 ASP 218 6.888 12.346 14.823 696 H ASP 219 H ASP 219 8.215 9.766 14.291 697 HA ASP 219 HA ASP 219 10.216 10.202 16.314 698 HB2 ASP 219 HB2 ASP 219 8.675 7.767 15.409 699 HB3 ASP 219 HB3 ASP 219 9.885 7.707 16.690 700 H VAL 220 H VAL 220 10.127 8.864 13.097 701 HA VAL 220 HA VAL 220 11.777 8.108 11.696 702 HB VAL 220 HB VAL 220 13.773 9.207 13.676 703 HG11 VAL 220 HG11 VAL 220 14.658 7.940 11.758 704 HG12 VAL 220 HG12 VAL 220 15.048 9.653 11.601 705 HG13 VAL 220 HG13 VAL 220 13.734 8.957 10.652 706 HG21 VAL 220 HG21 VAL 220 13.504 11.339 12.277 707 HG22 VAL 220 HG22 VAL 220 12.203 10.989 13.416 708 HG23 VAL 220 HG23 VAL 220 11.989 10.645 11.700 709 H GLY 221 H GLY 221 13.385 7.785 14.865 710 HA2 GLY 221 HA2 GLY 221 14.594 5.336 14.425 711 HA3 GLY 221 HA3 GLY 221 14.117 5.925 16.014 712 H LEU 222 H LEU 222 11.294 5.971 14.543 713 HA LEU 222 HA LEU 222 10.051 3.931 15.852 714 HB2 LEU 222 HB2 LEU 222 9.183 5.813 14.165 715 HB3 LEU 222 HB3 LEU 222 9.150 4.461 13.037 716 HG LEU 222 HG LEU 222 7.717 4.639 15.707 717 HD11 LEU 222 HD11 LEU 222 6.551 4.231 12.947 718 HD12 LEU 222 HD12 LEU 222 6.803 5.839 13.626 719 HD13 LEU 222 HD13 LEU 222 5.713 4.705 14.424 720 HD21 LEU 222 HD21 LEU 222 8.161 2.341 13.795 721 HD22 LEU 222 HD22 LEU 222 6.730 2.397 14.823 722 HD23 LEU 222 HD23 LEU 222 8.333 2.364 15.549 723 H LEU 223 H LEU 223 11.592 3.741 12.656 724 HA LEU 223 HA LEU 223 10.950 1.219 11.831 725 HB2 LEU 223 HB2 LEU 223 12.613 3.018 10.852 726 HB3 LEU 223 HB3 LEU 223 13.832 2.072 11.694 727 HG LEU 223 HG LEU 223 13.686 1.245 9.432 728 HD11 LEU 223 HD11 LEU 223 12.132 -0.736 11.101 729 HD12 LEU 223 HD12 LEU 223 13.839 -0.391 11.386 730 HD13 LEU 223 HD13 LEU 223 13.321 -1.067 9.844 731 HD21 LEU 223 HD21 LEU 223 10.818 0.392 9.690 732 HD22 LEU 223 HD22 LEU 223 11.741 0.829 8.257 733 HD23 LEU 223 HD23 LEU 223 11.137 2.089 9.325 Start of MODEL 16 1 H1 GLY 1 H1 GLY 1 7.657 -15.614 0.189 2 H2 GLY 1 H2 GLY 1 8.694 -14.292 0.448 3 H3 GLY 1 H3 GLY 1 7.967 -14.522 -1.071 4 HA2 GLY 1 HA2 GLY 1 5.974 -14.408 0.930 5 HA3 GLY 1 HA3 GLY 1 7.017 -12.989 1.024 6 HA PRO 2 HA PRO 2 5.216 -13.419 -3.592 7 HB2 PRO 2 HB2 PRO 2 2.619 -14.569 -2.609 8 HB3 PRO 2 HB3 PRO 2 3.453 -14.833 -4.156 9 HG2 PRO 2 HG2 PRO 2 3.534 -16.672 -2.244 10 HG3 PRO 2 HG3 PRO 2 4.964 -16.327 -3.236 11 HD2 PRO 2 HD2 PRO 2 4.416 -15.556 -0.393 12 HD3 PRO 2 HD3 PRO 2 5.964 -15.943 -1.177 13 H ALA 3 H ALA 3 3.408 -12.056 -4.506 14 HA ALA 3 HA ALA 3 3.151 -9.631 -3.169 15 HB1 ALA 3 HB1 ALA 3 1.423 -9.083 -4.819 16 HB2 ALA 3 HB2 ALA 3 1.286 -10.786 -5.257 17 HB3 ALA 3 HB3 ALA 3 2.778 -9.906 -5.590 18 H SER 4 H SER 4 2.487 -9.947 -1.030 19 HA SER 4 HA SER 4 0.999 -10.149 0.709 20 HB2 SER 4 HB2 SER 4 -1.000 -9.571 -1.489 21 HB3 SER 4 HB3 SER 4 -1.318 -9.458 0.240 22 HG SER 4 HG SER 4 0.099 -7.780 0.384 23 H VAL 5 H VAL 5 0.948 -12.173 1.490 24 HA VAL 5 HA VAL 5 0.126 -14.459 0.059 25 HB VAL 5 HB VAL 5 -0.010 -15.478 2.408 26 HG11 VAL 5 HG11 VAL 5 2.422 -15.412 2.678 27 HG12 VAL 5 HG12 VAL 5 2.518 -13.982 1.651 28 HG13 VAL 5 HG13 VAL 5 2.020 -15.528 0.965 29 HG21 VAL 5 HG21 VAL 5 1.170 -12.806 3.198 30 HG22 VAL 5 HG22 VAL 5 0.708 -14.140 4.256 31 HG23 VAL 5 HG23 VAL 5 -0.534 -13.196 3.433 32 HA PRO 6 HA PRO 6 -4.287 -14.144 0.445 33 HB2 PRO 6 HB2 PRO 6 -5.048 -16.762 0.306 34 HB3 PRO 6 HB3 PRO 6 -4.395 -15.884 -1.092 35 HG2 PRO 6 HG2 PRO 6 -3.004 -17.766 0.769 36 HG3 PRO 6 HG3 PRO 6 -2.915 -17.665 -1.000 37 HD2 PRO 6 HD2 PRO 6 -0.997 -16.591 0.621 38 HD3 PRO 6 HD3 PRO 6 -1.411 -15.890 -0.958 39 H THR 7 H THR 7 -4.760 -13.370 2.482 40 HA THR 7 HA THR 7 -5.797 -15.218 4.408 41 HB THR 7 HB THR 7 -3.354 -13.642 5.245 42 HG1 THR 7 HG1 THR 7 -2.370 -15.688 5.307 43 HG21 THR 7 HG21 THR 7 -3.575 -15.153 7.258 44 HG22 THR 7 HG22 THR 7 -5.139 -15.662 6.622 45 HG23 THR 7 HG23 THR 7 -4.878 -13.978 7.078 46 H THR 8 H THR 8 -4.418 -11.935 4.149 47 HA THR 8 HA THR 8 -6.993 -10.728 4.622 48 HB THR 8 HB THR 8 -4.834 -10.383 6.717 49 HG1 THR 8 HG1 THR 8 -6.976 -11.264 7.817 50 HG21 THR 8 HG21 THR 8 -7.608 -9.224 6.367 51 HG22 THR 8 HG22 THR 8 -6.081 -8.345 6.444 52 HG23 THR 8 HG23 THR 8 -6.709 -9.149 7.883 53 H CYS 9 H CYS 9 -7.064 -8.686 3.819 54 HA CYS 9 HA CYS 9 -4.974 -7.765 2.165 55 HB2 CYS 9 HB2 CYS 9 -7.535 -6.576 3.182 56 HB3 CYS 9 HB3 CYS 9 -6.388 -5.552 2.317 57 H CYS 10 H CYS 10 -6.280 -5.605 4.621 58 HA CYS 10 HA CYS 10 -3.956 -5.455 6.248 59 HB2 CYS 10 HB2 CYS 10 -3.128 -3.251 5.490 60 HB3 CYS 10 HB3 CYS 10 -2.946 -4.481 4.239 61 H PHE 11 H PHE 11 -6.451 -5.663 7.094 62 HA PHE 11 HA PHE 11 -8.011 -4.726 8.496 63 HB2 PHE 11 HB2 PHE 11 -6.294 -2.249 8.598 64 HB3 PHE 11 HB3 PHE 11 -7.355 -2.902 9.845 65 HD1 PHE 11 HD2 PHE 11 -6.751 -5.057 10.994 66 HD2 PHE 11 HD1 PHE 11 -4.039 -3.012 8.365 67 HE1 PHE 11 HE2 PHE 11 -4.860 -6.363 11.928 68 HE2 PHE 11 HE1 PHE 11 -2.150 -4.317 9.299 69 HZ PHE 11 HZ PHE 11 -2.559 -5.993 11.080 70 H ASN 12 H ASN 12 -6.772 -1.826 6.824 71 HA ASN 12 HA ASN 12 -8.972 -1.631 5.033 72 HB2 ASN 12 HB2 ASN 12 -9.935 0.474 6.105 73 HB3 ASN 12 HB3 ASN 12 -10.335 -1.058 6.882 74 HD21 ASN 12 HD21 ASN 12 -10.657 0.231 8.917 75 HD22 ASN 12 HD22 ASN 12 -9.300 0.692 9.828 76 H LEU 13 H LEU 13 -8.411 1.445 6.197 77 HA LEU 13 HA LEU 13 -6.322 1.936 4.147 78 HB2 LEU 13 HB2 LEU 13 -8.175 4.000 5.330 79 HB3 LEU 13 HB3 LEU 13 -7.236 4.095 3.840 80 HG LEU 13 HG LEU 13 -9.562 2.217 4.355 81 HD11 LEU 13 HD11 LEU 13 -10.016 4.717 3.971 82 HD12 LEU 13 HD12 LEU 13 -10.821 3.591 2.877 83 HD13 LEU 13 HD13 LEU 13 -9.385 4.467 2.343 84 HD21 LEU 13 HD21 LEU 13 -7.659 2.573 2.029 85 HD22 LEU 13 HD22 LEU 13 -9.258 1.863 1.814 86 HD23 LEU 13 HD23 LEU 13 -8.084 1.084 2.873 87 H ALA 14 H ALA 14 -6.127 4.701 5.268 88 HA ALA 14 HA ALA 14 -4.896 4.371 7.878 89 HB1 ALA 14 HB1 ALA 14 -3.194 5.164 5.500 90 HB2 ALA 14 HB2 ALA 14 -3.139 3.586 6.288 91 HB3 ALA 14 HB3 ALA 14 -2.665 5.032 7.179 92 H ASN 15 H ASN 15 -3.190 6.743 7.386 93 HA ASN 15 HA ASN 15 -4.806 8.902 6.497 94 HB2 ASN 15 HB2 ASN 15 -5.877 8.164 8.746 95 HB3 ASN 15 HB3 ASN 15 -4.466 8.916 9.484 96 HD21 ASN 15 HD21 ASN 15 -7.303 9.593 7.422 97 HD22 ASN 15 HD22 ASN 15 -7.302 11.267 7.700 98 H ARG 16 H ARG 16 -3.820 10.939 8.082 99 HA ARG 16 HA ARG 16 -2.004 12.291 8.355 100 HB2 ARG 16 HB2 ARG 16 -0.239 9.848 8.312 101 HB3 ARG 16 HB3 ARG 16 0.009 11.370 9.165 102 HG2 ARG 16 HG2 ARG 16 -2.195 10.774 10.423 103 HG3 ARG 16 HG3 ARG 16 -1.914 9.140 9.824 104 HD2 ARG 16 HD2 ARG 16 0.358 9.197 10.852 105 HD3 ARG 16 HD3 ARG 16 -0.008 10.781 11.516 106 HE ARG 16 HE ARG 16 -1.368 9.754 13.109 107 HH11 ARG 16 HH21 ARG 16 -0.475 7.562 10.585 108 HH12 ARG 16 HH22 ARG 16 -1.077 6.158 11.400 109 HH21 ARG 16 HH11 ARG 16 -2.159 7.915 14.187 110 HH22 ARG 16 HH12 ARG 16 -2.031 6.358 13.440 111 H LYS 17 H LYS 17 0.653 10.912 7.156 112 HA LYS 17 HA LYS 17 0.145 11.104 4.324 113 HB2 LYS 17 HB2 LYS 17 0.151 13.462 4.760 114 HB3 LYS 17 HB3 LYS 17 1.603 13.334 5.752 115 HG2 LYS 17 HG2 LYS 17 3.003 12.983 3.904 116 HG3 LYS 17 HG3 LYS 17 1.683 12.425 2.879 117 HD2 LYS 17 HD2 LYS 17 0.782 14.665 2.704 118 HD3 LYS 17 HD3 LYS 17 1.937 15.269 3.894 119 HE2 LYS 17 HE2 LYS 17 2.628 14.121 1.172 120 HE3 LYS 17 HE3 LYS 17 2.692 15.825 1.622 121 HZ1 LYS 17 HZ1 LYS 17 4.596 13.765 2.097 122 HZ2 LYS 17 HZ2 LYS 17 4.140 14.517 3.550 123 HZ3 LYS 17 HZ3 LYS 17 4.765 15.443 2.271 124 H ILE 18 H ILE 18 1.663 10.061 3.175 125 HA ILE 18 HA ILE 18 3.834 8.777 4.619 126 HB ILE 18 HB ILE 18 2.501 8.456 1.951 127 HG12 ILE 18 HG12 ILE 18 1.938 7.226 4.188 128 HG13 ILE 18 HG13 ILE 18 1.996 6.297 2.697 129 HG21 ILE 18 HG21 ILE 18 4.264 6.705 1.373 130 HG22 ILE 18 HG22 ILE 18 5.288 7.465 2.586 131 HG23 ILE 18 HG23 ILE 18 4.752 8.387 1.184 132 HD11 ILE 18 HD11 ILE 18 3.189 5.249 4.673 133 HD12 ILE 18 HD12 ILE 18 4.373 6.542 4.560 134 HD13 ILE 18 HD13 ILE 18 4.169 5.418 3.220 135 HA PRO 19 HA PRO 19 6.715 11.938 3.189 136 HB2 PRO 19 HB2 PRO 19 9.088 10.571 3.503 137 HB3 PRO 19 HB3 PRO 19 8.195 11.298 4.853 138 HG2 PRO 19 HG2 PRO 19 8.194 8.463 3.904 139 HG3 PRO 19 HG3 PRO 19 8.309 9.091 5.554 140 HD2 PRO 19 HD2 PRO 19 5.997 8.159 4.613 141 HD3 PRO 19 HD3 PRO 19 6.025 9.571 5.682 142 H LEU 20 H LEU 20 7.315 12.490 1.158 143 HA LEU 20 HA LEU 20 7.028 10.632 -0.983 144 HB2 LEU 20 HB2 LEU 20 7.762 13.527 -0.745 145 HB3 LEU 20 HB3 LEU 20 8.062 12.704 -2.276 146 HG LEU 20 HG LEU 20 5.710 12.010 -2.384 147 HD11 LEU 20 HD11 LEU 20 5.515 13.480 0.253 148 HD12 LEU 20 HD12 LEU 20 5.186 11.773 -0.047 149 HD13 LEU 20 HD13 LEU 20 4.114 13.007 -0.709 150 HD21 LEU 20 HD21 LEU 20 6.512 14.305 -3.198 151 HD22 LEU 20 HD22 LEU 20 5.784 14.962 -1.731 152 HD23 LEU 20 HD23 LEU 20 4.777 14.137 -2.924 153 H GLN 21 H GLN 21 9.766 11.703 0.880 154 HA GLN 21 HA GLN 21 11.818 11.166 -0.982 155 HB2 GLN 21 HB2 GLN 21 13.222 10.852 1.152 156 HB3 GLN 21 HB3 GLN 21 12.439 12.415 0.916 157 HG2 GLN 21 HG2 GLN 21 10.695 11.884 2.449 158 HG3 GLN 21 HG3 GLN 21 11.148 10.180 2.485 159 HE21 GLN 21 HE21 GLN 21 12.393 9.598 4.265 160 HE22 GLN 21 HE22 GLN 21 13.368 10.660 5.160 161 H ARG 22 H ARG 22 10.033 9.044 1.187 162 HA ARG 22 HA ARG 22 11.797 6.778 0.576 163 HB2 ARG 22 HB2 ARG 22 9.455 7.141 2.447 164 HB3 ARG 22 HB3 ARG 22 10.268 5.594 2.209 165 HG2 ARG 22 HG2 ARG 22 12.172 6.255 3.342 166 HG3 ARG 22 HG3 ARG 22 12.059 7.923 2.783 167 HD2 ARG 22 HD2 ARG 22 10.489 8.501 4.437 168 HD3 ARG 22 HD3 ARG 22 10.074 6.821 4.765 169 HE ARG 22 HE ARG 22 12.790 7.137 5.365 170 HH11 ARG 22 HH21 ARG 22 9.704 8.313 6.394 171 HH12 ARG 22 HH22 ARG 22 10.196 8.581 8.032 172 HH21 ARG 22 HH11 ARG 22 13.444 7.484 7.513 173 HH22 ARG 22 HH12 ARG 22 12.314 8.111 8.666 174 H LEU 23 H LEU 23 8.362 7.664 0.232 175 HA LEU 23 HA LEU 23 7.267 5.444 -0.858 176 HB2 LEU 23 HB2 LEU 23 5.773 7.208 -0.640 177 HB3 LEU 23 HB3 LEU 23 6.886 8.367 -1.322 178 HG LEU 23 HG LEU 23 4.867 7.919 -2.717 179 HD11 LEU 23 HD11 LEU 23 6.032 8.531 -4.528 180 HD12 LEU 23 HD12 LEU 23 6.925 7.016 -4.591 181 HD13 LEU 23 HD13 LEU 23 7.489 8.329 -3.562 182 HD21 LEU 23 HD21 LEU 23 5.549 5.174 -2.273 183 HD22 LEU 23 HD22 LEU 23 5.678 5.482 -3.995 184 HD23 LEU 23 HD23 LEU 23 4.190 5.840 -3.152 185 H GLU 24 H GLU 24 7.195 4.390 -2.847 186 HA GLU 24 HA GLU 24 9.271 5.186 -4.823 187 HB2 GLU 24 HB2 GLU 24 9.821 3.083 -3.724 188 HB3 GLU 24 HB3 GLU 24 8.232 2.435 -4.124 189 HG2 GLU 24 HG2 GLU 24 8.703 2.445 -6.462 190 HG3 GLU 24 HG3 GLU 24 10.145 3.434 -6.238 191 H SER 25 H SER 25 6.312 3.172 -4.717 192 HA SER 25 HA SER 25 5.149 4.683 -6.928 193 HB2 SER 25 HB2 SER 25 6.352 3.159 -8.272 194 HB3 SER 25 HB3 SER 25 6.054 1.819 -7.170 195 HG SER 25 HG SER 25 4.663 1.656 -8.922 196 H TYR 26 H TYR 26 2.954 3.551 -7.548 197 HA TYR 26 HA TYR 26 1.650 2.636 -5.043 198 HB2 TYR 26 HB2 TYR 26 -0.322 3.841 -5.645 199 HB3 TYR 26 HB3 TYR 26 1.031 4.957 -5.797 200 HD1 TYR 26 HD2 TYR 26 1.949 5.523 -8.041 201 HD2 TYR 26 HD1 TYR 26 -1.594 3.141 -7.553 202 HE1 TYR 26 HE2 TYR 26 1.364 5.915 -10.417 203 HE2 TYR 26 HE1 TYR 26 -2.178 3.525 -9.933 204 HH TYR 26 HH TYR 26 -1.694 5.234 -11.690 205 H ARG 27 H ARG 27 -0.292 1.307 -5.350 206 HA ARG 27 HA ARG 27 -0.610 -0.044 -7.901 207 HB2 ARG 27 HB2 ARG 27 1.075 -1.513 -7.305 208 HB3 ARG 27 HB3 ARG 27 0.866 -1.218 -5.590 209 HG2 ARG 27 HG2 ARG 27 0.233 -3.471 -5.908 210 HG3 ARG 27 HG3 ARG 27 -1.298 -2.637 -5.770 211 HD2 ARG 27 HD2 ARG 27 0.027 -3.797 -8.205 212 HD3 ARG 27 HD3 ARG 27 -1.627 -4.003 -7.642 213 HE ARG 27 HE ARG 27 -1.626 -1.403 -8.258 214 HH11 ARG 27 HH21 ARG 27 -0.360 -4.157 -9.925 215 HH12 ARG 27 HH22 ARG 27 -0.590 -3.478 -11.501 216 HH21 ARG 27 HH11 ARG 27 -1.932 -0.508 -10.320 217 HH22 ARG 27 HH12 ARG 27 -1.481 -1.414 -11.724 218 H ARG 28 H ARG 28 -2.677 -0.760 -8.150 219 HA ARG 28 HA ARG 28 -4.556 -0.233 -5.990 220 HB2 ARG 28 HB2 ARG 28 -4.707 0.184 -8.665 221 HB3 ARG 28 HB3 ARG 28 -5.517 -1.377 -8.569 222 HG2 ARG 28 HG2 ARG 28 -6.901 -0.326 -6.650 223 HG3 ARG 28 HG3 ARG 28 -6.279 1.222 -7.225 224 HD2 ARG 28 HD2 ARG 28 -7.918 -0.785 -8.793 225 HD3 ARG 28 HD3 ARG 28 -8.402 0.839 -8.311 226 HE ARG 28 HE ARG 28 -6.831 0.149 -10.603 227 HH11 ARG 28 HH21 ARG 28 -7.311 2.510 -8.120 228 HH12 ARG 28 HH22 ARG 28 -6.696 3.828 -9.061 229 HH21 ARG 28 HH11 ARG 28 -6.022 1.872 -11.845 230 HH22 ARG 28 HH12 ARG 28 -5.966 3.467 -11.170 231 H ILE 29 H ILE 29 -5.981 -1.707 -5.092 232 HA ILE 29 HA ILE 29 -5.159 -4.543 -5.303 233 HB ILE 29 HB ILE 29 -6.940 -4.195 -3.081 234 HG12 ILE 29 HG12 ILE 29 -4.748 -2.097 -3.123 235 HG13 ILE 29 HG13 ILE 29 -6.462 -1.760 -3.337 236 HG21 ILE 29 HG21 ILE 29 -4.858 -4.687 -1.762 237 HG22 ILE 29 HG22 ILE 29 -3.932 -4.527 -3.254 238 HG23 ILE 29 HG23 ILE 29 -5.136 -5.804 -3.098 239 HD11 ILE 29 HD11 ILE 29 -5.400 -3.182 -0.886 240 HD12 ILE 29 HD12 ILE 29 -6.983 -2.443 -1.113 241 HD13 ILE 29 HD13 ILE 29 -5.547 -1.427 -0.974 242 H THR 30 H THR 30 -6.396 -5.700 -6.610 243 HA THR 30 HA THR 30 -9.332 -5.329 -6.528 244 HB THR 30 HB THR 30 -9.283 -5.773 -9.041 245 HG1 THR 30 HG1 THR 30 -7.409 -5.690 -10.041 246 HG21 THR 30 HG21 THR 30 -8.520 -3.334 -9.497 247 HG22 THR 30 HG22 THR 30 -8.282 -3.234 -7.752 248 HG23 THR 30 HG23 THR 30 -9.883 -3.588 -8.409 249 H SER 31 H SER 31 -9.436 -7.209 -5.234 250 HA SER 31 HA SER 31 -9.489 -9.664 -6.755 251 HB2 SER 31 HB2 SER 31 -7.145 -9.691 -6.152 252 HB3 SER 31 HB3 SER 31 -7.531 -9.329 -4.472 253 HG SER 31 HG SER 31 -8.059 -11.349 -4.168 254 H GLY 32 H GLY 32 -8.941 -9.488 -3.291 255 HA2 GLY 32 HA2 GLY 32 -11.738 -9.447 -2.593 256 HA3 GLY 32 HA3 GLY 32 -11.020 -11.050 -2.459 257 H LYS 33 H LYS 33 -11.893 -10.287 -0.168 258 HA LYS 33 HA LYS 33 -11.320 -9.984 2.026 259 HB2 LYS 33 HB2 LYS 33 -8.445 -9.671 1.168 260 HB3 LYS 33 HB3 LYS 33 -9.070 -10.239 2.713 261 HG2 LYS 33 HG2 LYS 33 -10.160 -12.154 1.378 262 HG3 LYS 33 HG3 LYS 33 -9.103 -11.670 0.053 263 HD2 LYS 33 HD2 LYS 33 -7.131 -11.991 1.474 264 HD3 LYS 33 HD3 LYS 33 -8.165 -12.418 2.837 265 HE2 LYS 33 HE2 LYS 33 -8.952 -14.400 1.717 266 HE3 LYS 33 HE3 LYS 33 -8.171 -13.923 0.210 267 HZ1 LYS 33 HZ1 LYS 33 -6.925 -14.850 2.720 268 HZ2 LYS 33 HZ2 LYS 33 -6.038 -13.949 1.586 269 HZ3 LYS 33 HZ3 LYS 33 -6.712 -15.446 1.146 270 H CYS 34 H CYS 34 -9.800 -7.780 -0.282 271 HA CYS 34 HA CYS 34 -9.366 -5.661 1.561 272 HB2 CYS 34 HB2 CYS 34 -9.506 -5.855 -1.440 273 HB3 CYS 34 HB3 CYS 34 -9.342 -4.290 -0.649 274 HA PRO 35 HA PRO 35 -13.493 -4.089 1.928 275 HB2 PRO 35 HB2 PRO 35 -13.047 -1.416 2.331 276 HB3 PRO 35 HB3 PRO 35 -12.684 -2.649 3.555 277 HG2 PRO 35 HG2 PRO 35 -10.836 -1.311 1.622 278 HG3 PRO 35 HG3 PRO 35 -10.602 -1.654 3.347 279 HD2 PRO 35 HD2 PRO 35 -9.515 -3.223 1.407 280 HD3 PRO 35 HD3 PRO 35 -10.050 -3.887 2.967 281 H GLN 36 H GLN 36 -11.376 -2.232 -0.246 282 HA GLN 36 HA GLN 36 -13.161 -2.412 -2.447 283 HB2 GLN 36 HB2 GLN 36 -13.705 0.036 -2.595 284 HB3 GLN 36 HB3 GLN 36 -14.516 -0.800 -1.270 285 HG2 GLN 36 HG2 GLN 36 -12.783 -0.007 0.297 286 HG3 GLN 36 HG3 GLN 36 -11.971 0.832 -1.023 287 HE21 GLN 36 HE21 GLN 36 -14.321 1.853 -2.359 288 HE22 GLN 36 HE22 GLN 36 -15.032 3.009 -1.341 289 H LYS 37 H LYS 37 -12.398 -1.047 -4.302 290 HA LYS 37 HA LYS 37 -9.710 -1.373 -4.819 291 HB2 LYS 37 HB2 LYS 37 -11.847 0.394 -5.958 292 HB3 LYS 37 HB3 LYS 37 -10.185 0.746 -6.419 293 HG2 LYS 37 HG2 LYS 37 -11.101 -0.765 -8.062 294 HG3 LYS 37 HG3 LYS 37 -9.934 -1.663 -7.100 295 HD2 LYS 37 HD2 LYS 37 -11.906 -3.042 -7.359 296 HD3 LYS 37 HD3 LYS 37 -11.830 -2.507 -5.685 297 HE2 LYS 37 HE2 LYS 37 -13.368 -0.751 -7.554 298 HE3 LYS 37 HE3 LYS 37 -14.086 -2.313 -7.168 299 HZ1 LYS 37 HZ1 LYS 37 -14.860 -1.062 -5.454 300 HZ2 LYS 37 HZ2 LYS 37 -13.495 -0.054 -5.400 301 HZ3 LYS 37 HZ3 LYS 37 -13.421 -1.624 -4.756 302 H ALA 38 H ALA 38 -7.871 -0.321 -4.320 303 HA ALA 38 HA ALA 38 -7.860 2.424 -3.421 304 HB1 ALA 38 HB1 ALA 38 -7.497 2.127 -1.153 305 HB2 ALA 38 HB2 ALA 38 -6.756 0.543 -1.370 306 HB3 ALA 38 HB3 ALA 38 -8.505 0.716 -1.453 307 H VAL 39 H VAL 39 -5.815 3.337 -3.618 308 HA VAL 39 HA VAL 39 -3.844 1.737 -5.017 309 HB VAL 39 HB VAL 39 -2.642 3.788 -5.326 310 HG11 VAL 39 HG11 VAL 39 -4.264 5.020 -6.537 311 HG12 VAL 39 HG12 VAL 39 -5.555 4.586 -5.419 312 HG13 VAL 39 HG13 VAL 39 -4.894 3.375 -6.518 313 HG21 VAL 39 HG21 VAL 39 -2.710 4.756 -3.137 314 HG22 VAL 39 HG22 VAL 39 -4.473 4.827 -3.152 315 HG23 VAL 39 HG23 VAL 39 -3.536 5.890 -4.204 316 H ILE 40 H ILE 40 -1.857 1.098 -4.273 317 HA ILE 40 HA ILE 40 -1.426 1.309 -1.347 318 HB ILE 40 HB ILE 40 -0.787 -0.892 -3.322 319 HG12 ILE 40 HG12 ILE 40 -2.357 -0.956 -0.734 320 HG13 ILE 40 HG13 ILE 40 -3.102 -0.668 -2.307 321 HG21 ILE 40 HG21 ILE 40 1.135 -0.804 -1.897 322 HG22 ILE 40 HG22 ILE 40 0.108 -2.080 -1.249 323 HG23 ILE 40 HG23 ILE 40 0.148 -0.501 -0.468 324 HD11 ILE 40 HD11 ILE 40 -1.402 -3.091 -1.662 325 HD12 ILE 40 HD12 ILE 40 -2.346 -2.815 -3.127 326 HD13 ILE 40 HD13 ILE 40 -3.163 -3.076 -1.587 327 H PHE 41 H PHE 41 0.044 2.914 -1.059 328 HA PHE 41 HA PHE 41 2.242 3.315 -2.898 329 HB2 PHE 41 HB2 PHE 41 1.738 4.522 -0.168 330 HB3 PHE 41 HB3 PHE 41 2.942 5.066 -1.333 331 HD1 PHE 41 HD2 PHE 41 2.006 5.575 -3.771 332 HD2 PHE 41 HD1 PHE 41 -0.368 5.526 -0.197 333 HE1 PHE 41 HE2 PHE 41 0.305 6.994 -4.885 334 HE2 PHE 41 HE1 PHE 41 -2.050 6.933 -1.304 335 HZ PHE 41 HZ PHE 41 -1.730 7.675 -3.648 336 H LYS 42 H LYS 42 4.018 2.113 -2.887 337 HA LYS 42 HA LYS 42 4.785 0.671 -0.416 338 HB2 LYS 42 HB2 LYS 42 5.971 -0.863 -1.851 339 HB3 LYS 42 HB3 LYS 42 4.339 -0.662 -2.491 340 HG2 LYS 42 HG2 LYS 42 5.385 1.216 -3.964 341 HG3 LYS 42 HG3 LYS 42 6.929 0.471 -3.549 342 HD2 LYS 42 HD2 LYS 42 4.585 -0.839 -4.955 343 HD3 LYS 42 HD3 LYS 42 6.182 -0.508 -5.627 344 HE2 LYS 42 HE2 LYS 42 7.099 -2.003 -3.746 345 HE3 LYS 42 HE3 LYS 42 5.431 -2.525 -3.508 346 HZ1 LYS 42 HZ1 LYS 42 6.136 -2.556 -6.260 347 HZ2 LYS 42 HZ2 LYS 42 5.547 -3.818 -5.286 348 HZ3 LYS 42 HZ3 LYS 42 7.215 -3.502 -5.356 349 H THR 43 H THR 43 6.524 1.317 0.657 350 HA THR 43 HA THR 43 8.447 3.145 -0.678 351 HB THR 43 HB THR 43 8.497 4.418 1.219 352 HG1 THR 43 HG1 THR 43 9.609 2.896 2.397 353 HG21 THR 43 HG21 THR 43 6.458 4.383 2.543 354 HG22 THR 43 HG22 THR 43 6.103 2.738 2.017 355 HG23 THR 43 HG23 THR 43 6.049 4.066 0.857 356 H LYS 44 H LYS 44 10.635 3.033 0.731 357 HA LYS 44 HA LYS 44 11.680 0.395 0.223 358 HB2 LYS 44 HB2 LYS 44 12.869 2.964 1.265 359 HB3 LYS 44 HB3 LYS 44 13.798 1.465 1.245 360 HG2 LYS 44 HG2 LYS 44 14.257 2.693 -0.800 361 HG3 LYS 44 HG3 LYS 44 13.319 1.256 -1.203 362 HD2 LYS 44 HD2 LYS 44 11.330 2.499 -1.526 363 HD3 LYS 44 HD3 LYS 44 11.970 3.906 -0.677 364 HE2 LYS 44 HE2 LYS 44 13.218 2.874 -3.226 365 HE3 LYS 44 HE3 LYS 44 11.904 4.049 -3.238 366 HZ1 LYS 44 HZ1 LYS 44 14.657 4.448 -2.682 367 HZ2 LYS 44 HZ2 LYS 44 13.707 4.967 -1.374 368 HZ3 LYS 44 HZ3 LYS 44 13.436 5.599 -2.928 369 H LEU 45 H LEU 45 10.281 1.982 2.906 370 HA LEU 45 HA LEU 45 11.551 0.933 5.118 371 HB2 LEU 45 HB2 LEU 45 8.698 1.623 4.518 372 HB3 LEU 45 HB3 LEU 45 9.062 0.823 6.036 373 HG LEU 45 HG LEU 45 9.010 3.395 6.047 374 HD11 LEU 45 HD11 LEU 45 11.643 2.268 6.995 375 HD12 LEU 45 HD12 LEU 45 10.119 1.857 7.780 376 HD13 LEU 45 HD13 LEU 45 10.661 3.531 7.728 377 HD21 LEU 45 HD21 LEU 45 10.805 4.625 5.159 378 HD22 LEU 45 HD22 LEU 45 10.450 3.467 3.886 379 HD23 LEU 45 HD23 LEU 45 11.819 3.201 4.957 380 H ALA 46 H ALA 46 8.446 -0.523 4.281 381 HA ALA 46 HA ALA 46 9.421 -3.106 3.657 382 HB1 ALA 46 HB1 ALA 46 8.689 -4.202 5.831 383 HB2 ALA 46 HB2 ALA 46 8.715 -2.589 6.544 384 HB3 ALA 46 HB3 ALA 46 10.198 -3.292 5.897 385 H LYS 47 H LYS 47 6.932 -3.139 5.990 386 HA LYS 47 HA LYS 47 4.989 -4.352 4.574 387 HB2 LYS 47 HB2 LYS 47 3.405 -3.579 6.169 388 HB3 LYS 47 HB3 LYS 47 4.946 -3.700 7.011 389 HG2 LYS 47 HG2 LYS 47 3.659 -1.164 5.945 390 HG3 LYS 47 HG3 LYS 47 3.891 -1.607 7.634 391 HD2 LYS 47 HD2 LYS 47 6.414 -1.723 7.059 392 HD3 LYS 47 HD3 LYS 47 5.982 -0.827 5.602 393 HE2 LYS 47 HE2 LYS 47 6.626 0.764 7.317 394 HE3 LYS 47 HE3 LYS 47 4.887 0.898 7.054 395 HZ1 LYS 47 HZ1 LYS 47 4.417 -0.164 9.026 396 HZ2 LYS 47 HZ2 LYS 47 5.796 0.734 9.448 397 HZ3 LYS 47 HZ3 LYS 47 5.928 -0.927 9.116 398 H ASP 48 H ASP 48 2.910 -3.580 3.705 399 HA ASP 48 HA ASP 48 3.354 -1.361 1.820 400 HB2 ASP 48 HB2 ASP 48 1.355 -3.624 1.931 401 HB3 ASP 48 HB3 ASP 48 1.240 -2.300 0.775 402 H ILE 49 H ILE 49 1.845 0.303 1.552 403 HA ILE 49 HA ILE 49 0.192 0.878 3.943 404 HB ILE 49 HB ILE 49 1.015 2.850 1.813 405 HG12 ILE 49 HG12 ILE 49 3.074 1.797 2.610 406 HG13 ILE 49 HG13 ILE 49 2.944 3.422 3.270 407 HG21 ILE 49 HG21 ILE 49 0.257 3.094 4.739 408 HG22 ILE 49 HG22 ILE 49 -0.735 3.566 3.359 409 HG23 ILE 49 HG23 ILE 49 0.757 4.437 3.712 410 HD11 ILE 49 HD11 ILE 49 2.396 0.807 4.694 411 HD12 ILE 49 HD12 ILE 49 1.927 2.369 5.360 412 HD13 ILE 49 HD13 ILE 49 3.627 2.005 5.080 413 H CYS 50 H CYS 50 -1.974 0.948 3.755 414 HA CYS 50 HA CYS 50 -3.173 0.697 1.060 415 HB2 CYS 50 HB2 CYS 50 -4.435 0.248 3.775 416 HB3 CYS 50 HB3 CYS 50 -5.128 -0.160 2.205 417 H ALA 51 H ALA 51 -4.660 2.158 0.294 418 HA ALA 51 HA ALA 51 -5.918 4.144 1.905 419 HB1 ALA 51 HB1 ALA 51 -3.433 4.863 1.748 420 HB2 ALA 51 HB2 ALA 51 -4.679 6.067 1.422 421 HB3 ALA 51 HB3 ALA 51 -3.820 5.296 0.083 422 H ASP 52 H ASP 52 -7.550 5.188 0.800 423 HA ASP 52 HA ASP 52 -8.076 4.219 -1.915 424 HB2 ASP 52 HB2 ASP 52 -9.745 5.492 0.237 425 HB3 ASP 52 HB3 ASP 52 -10.341 5.391 -1.417 426 HA PRO 53 HA PRO 53 -7.149 8.127 -3.843 427 HB2 PRO 53 HB2 PRO 53 -8.721 7.987 -6.066 428 HB3 PRO 53 HB3 PRO 53 -7.283 6.967 -5.851 429 HG2 PRO 53 HG2 PRO 53 -10.160 6.291 -5.376 430 HG3 PRO 53 HG3 PRO 53 -8.904 5.342 -6.195 431 HD2 PRO 53 HD2 PRO 53 -9.619 4.855 -3.617 432 HD3 PRO 53 HD3 PRO 53 -7.956 4.616 -4.203 433 H LYS 54 H LYS 54 -8.372 9.025 -1.856 434 HA LYS 54 HA LYS 54 -10.370 10.898 -2.840 435 HB2 LYS 54 HB2 LYS 54 -10.973 8.952 -0.596 436 HB3 LYS 54 HB3 LYS 54 -11.947 10.372 -0.978 437 HG2 LYS 54 HG2 LYS 54 -12.125 9.428 -3.354 438 HG3 LYS 54 HG3 LYS 54 -11.478 7.926 -2.691 439 HD2 LYS 54 HD2 LYS 54 -13.329 7.906 -1.021 440 HD3 LYS 54 HD3 LYS 54 -14.003 9.341 -1.792 441 HE2 LYS 54 HE2 LYS 54 -13.435 6.817 -3.354 442 HE3 LYS 54 HE3 LYS 54 -14.973 7.078 -2.529 443 HZ1 LYS 54 HZ1 LYS 54 -15.584 8.186 -4.337 444 HZ2 LYS 54 HZ2 LYS 54 -14.004 8.216 -4.962 445 HZ3 LYS 54 HZ3 LYS 54 -14.511 9.412 -3.867 446 H LYS 55 H LYS 55 -8.331 9.659 -0.275 447 HA LYS 55 HA LYS 55 -8.517 12.011 1.363 448 HB2 LYS 55 HB2 LYS 55 -6.144 10.221 1.612 449 HB3 LYS 55 HB3 LYS 55 -7.214 10.844 2.864 450 HG2 LYS 55 HG2 LYS 55 -9.004 9.255 1.752 451 HG3 LYS 55 HG3 LYS 55 -7.597 8.453 1.067 452 HD2 LYS 55 HD2 LYS 55 -8.269 8.827 3.992 453 HD3 LYS 55 HD3 LYS 55 -8.092 7.311 3.110 454 HE2 LYS 55 HE2 LYS 55 -5.654 8.163 2.649 455 HE3 LYS 55 HE3 LYS 55 -5.962 9.218 4.031 456 HZ1 LYS 55 HZ1 LYS 55 -5.180 7.401 5.108 457 HZ2 LYS 55 HZ2 LYS 55 -5.714 6.309 3.921 458 HZ3 LYS 55 HZ3 LYS 55 -6.816 6.958 5.041 459 H LYS 56 H LYS 56 -6.910 13.644 1.602 460 HA LYS 56 HA LYS 56 -5.926 14.671 -0.784 461 HB2 LYS 56 HB2 LYS 56 -6.349 15.882 1.413 462 HB3 LYS 56 HB3 LYS 56 -4.744 15.337 1.905 463 HG2 LYS 56 HG2 LYS 56 -3.941 16.350 -0.352 464 HG3 LYS 56 HG3 LYS 56 -5.490 17.193 -0.357 465 HD2 LYS 56 HD2 LYS 56 -3.374 17.339 1.810 466 HD3 LYS 56 HD3 LYS 56 -3.793 18.618 0.671 467 HE2 LYS 56 HE2 LYS 56 -4.975 19.186 2.644 468 HE3 LYS 56 HE3 LYS 56 -6.189 18.422 1.618 469 HZ1 LYS 56 HZ1 LYS 56 -6.399 16.720 3.020 470 HZ2 LYS 56 HZ2 LYS 56 -5.598 17.696 4.157 471 HZ3 LYS 56 HZ3 LYS 56 -4.725 16.560 3.245 472 H TRP 57 H TRP 57 -3.852 13.278 1.826 473 HA TRP 57 HA TRP 57 -1.481 13.535 0.372 474 HB2 TRP 57 HB2 TRP 57 -0.437 12.129 1.954 475 HB3 TRP 57 HB3 TRP 57 -1.695 12.982 2.836 476 HD1 TRP 57 HD1 TRP 57 -3.852 11.604 3.558 477 HE1 TRP 57 HE1 TRP 57 -4.218 9.078 3.911 478 HE3 TRP 57 HE3 TRP 57 0.226 9.743 1.085 479 HZ2 TRP 57 HZ2 TRP 57 -2.967 6.606 3.242 480 HZ3 TRP 57 HZ3 TRP 57 0.608 7.298 0.964 481 HH2 TRP 57 HH2 TRP 57 -0.984 5.729 2.042 482 H VAL 58 H VAL 58 -4.029 11.260 -0.055 483 HA VAL 58 HA VAL 58 -2.443 9.234 -1.311 484 HB VAL 58 HB VAL 58 -5.408 9.803 -1.348 485 HG11 VAL 58 HG11 VAL 58 -3.808 7.565 -2.598 486 HG12 VAL 58 HG12 VAL 58 -4.962 8.626 -3.384 487 HG13 VAL 58 HG13 VAL 58 -5.520 7.414 -2.234 488 HG21 VAL 58 HG21 VAL 58 -4.311 9.086 0.798 489 HG22 VAL 58 HG22 VAL 58 -3.788 7.625 -0.019 490 HG23 VAL 58 HG23 VAL 58 -5.504 7.935 0.198 491 H GLN 59 H GLN 59 -4.711 11.665 -2.646 492 HA GLN 59 HA GLN 59 -4.061 11.077 -5.338 493 HB2 GLN 59 HB2 GLN 59 -5.048 13.811 -4.618 494 HB3 GLN 59 HB3 GLN 59 -5.560 12.731 -5.915 495 HG2 GLN 59 HG2 GLN 59 -6.381 11.227 -3.855 496 HG3 GLN 59 HG3 GLN 59 -6.403 12.782 -3.040 497 HE21 GLN 59 HE21 GLN 59 -8.205 10.738 -5.102 498 HE22 GLN 59 HE22 GLN 59 -9.374 11.872 -5.583 499 H ASP 60 H ASP 60 -2.700 13.308 -2.995 500 HA ASP 60 HA ASP 60 -1.167 14.836 -4.844 501 HB2 ASP 60 HB2 ASP 60 -1.810 15.424 -2.423 502 HB3 ASP 60 HB3 ASP 60 -0.450 14.411 -1.949 503 H SER 61 H SER 61 -0.552 11.850 -3.072 504 HA SER 61 HA SER 61 2.258 11.792 -3.514 505 HB2 SER 61 HB2 SER 61 1.676 10.346 -1.812 506 HB3 SER 61 HB3 SER 61 0.190 9.836 -2.614 507 HG SER 61 HG SER 61 2.843 8.999 -3.012 508 H MET 62 H MET 62 -0.415 10.071 -5.199 509 HA MET 62 HA MET 62 1.306 8.871 -7.113 510 HB2 MET 62 HB2 MET 62 -0.848 8.573 -8.443 511 HB3 MET 62 HB3 MET 62 -0.815 7.853 -6.834 512 HG2 MET 62 HG2 MET 62 -2.199 9.516 -5.928 513 HG3 MET 62 HG3 MET 62 -1.878 10.643 -7.239 514 HE1 MET 62 HE1 MET 62 -4.863 7.229 -7.001 515 HE2 MET 62 HE2 MET 62 -4.265 8.277 -5.717 516 HE3 MET 62 HE3 MET 62 -3.189 7.088 -6.446 517 H LYS 63 H LYS 63 -0.436 11.936 -7.045 518 HA LYS 63 HA LYS 63 -0.115 12.632 -9.754 519 HB2 LYS 63 HB2 LYS 63 -1.623 13.891 -8.331 520 HB3 LYS 63 HB3 LYS 63 -0.294 14.366 -7.276 521 HG2 LYS 63 HG2 LYS 63 -0.977 16.164 -8.882 522 HG3 LYS 63 HG3 LYS 63 0.713 15.695 -9.048 523 HD2 LYS 63 HD2 LYS 63 0.320 14.511 -11.049 524 HD3 LYS 63 HD3 LYS 63 -1.412 14.379 -10.741 525 HE2 LYS 63 HE2 LYS 63 0.025 16.994 -11.278 526 HE3 LYS 63 HE3 LYS 63 -0.826 16.062 -12.511 527 HZ1 LYS 63 HZ1 LYS 63 -2.522 16.327 -10.313 528 HZ2 LYS 63 HZ2 LYS 63 -2.703 17.001 -11.862 529 HZ3 LYS 63 HZ3 LYS 63 -1.892 17.866 -10.645 530 H TYR 64 H TYR 64 1.959 12.981 -6.939 531 HA TYR 64 HA TYR 64 3.982 14.537 -8.197 532 HB2 TYR 64 HB2 TYR 64 4.350 14.698 -5.947 533 HB3 TYR 64 HB3 TYR 64 3.538 13.173 -5.627 534 HD1 TYR 64 HD1 TYR 64 6.647 14.218 -7.475 535 HD2 TYR 64 HD2 TYR 64 4.899 11.633 -4.522 536 HE1 TYR 64 HE1 TYR 64 8.851 13.141 -7.109 537 HE2 TYR 64 HE2 TYR 64 7.104 10.566 -4.148 538 HH TYR 64 HH TYR 64 9.368 10.372 -5.907 539 H LEU 65 H LEU 65 3.315 11.100 -7.958 540 HA LEU 65 HA LEU 65 5.851 10.259 -9.005 541 HB2 LEU 65 HB2 LEU 65 3.211 8.905 -8.483 542 HB3 LEU 65 HB3 LEU 65 4.465 8.069 -9.396 543 HG LEU 65 HG LEU 65 5.221 9.371 -6.786 544 HD11 LEU 65 HD11 LEU 65 3.612 6.844 -7.101 545 HD12 LEU 65 HD12 LEU 65 3.355 8.182 -5.983 546 HD13 LEU 65 HD13 LEU 65 4.696 7.067 -5.729 547 HD21 LEU 65 HD21 LEU 65 6.095 6.695 -7.886 548 HD22 LEU 65 HD22 LEU 65 6.964 7.774 -6.795 549 HD23 LEU 65 HD23 LEU 65 6.796 8.193 -8.497 550 H ASP 66 H ASP 66 2.960 11.495 -10.335 551 HA ASP 66 HA ASP 66 3.149 10.300 -12.929 552 HB2 ASP 66 HB2 ASP 66 1.115 11.421 -11.776 553 HB3 ASP 66 HB3 ASP 66 1.808 12.936 -12.348 554 H GLN 67 H GLN 67 4.427 13.193 -11.410 555 HA GLN 67 HA GLN 67 5.275 14.509 -13.782 556 HB2 GLN 67 HB2 GLN 67 6.324 14.737 -10.952 557 HB3 GLN 67 HB3 GLN 67 6.666 15.865 -12.264 558 HG2 GLN 67 HG2 GLN 67 3.874 15.203 -11.291 559 HG3 GLN 67 HG3 GLN 67 4.795 16.606 -10.753 560 HE21 GLN 67 HE21 GLN 67 2.653 15.483 -13.176 561 HE22 GLN 67 HE22 GLN 67 2.846 16.772 -14.265 562 H LYS 68 H LYS 68 6.248 11.600 -12.606 563 HA LYS 68 HA LYS 68 8.855 11.796 -13.979 564 HB2 LYS 68 HB2 LYS 68 9.892 10.417 -12.194 565 HB3 LYS 68 HB3 LYS 68 9.391 12.006 -11.616 566 HG2 LYS 68 HG2 LYS 68 7.211 10.901 -10.876 567 HG3 LYS 68 HG3 LYS 68 8.000 9.356 -11.184 568 HD2 LYS 68 HD2 LYS 68 9.082 11.499 -9.331 569 HD3 LYS 68 HD3 LYS 68 8.187 10.075 -8.798 570 HE2 LYS 68 HE2 LYS 68 10.422 9.397 -8.557 571 HE3 LYS 68 HE3 LYS 68 9.995 8.736 -10.134 572 HZ1 LYS 68 HZ1 LYS 68 11.461 10.050 -11.133 573 HZ2 LYS 68 HZ2 LYS 68 12.080 10.414 -9.593 574 HZ3 LYS 68 HZ3 LYS 68 10.922 11.431 -10.308 575 H SER 69 H SER 69 6.091 9.932 -12.946 576 HA SER 69 HA SER 69 5.319 7.844 -13.555 577 HB2 SER 69 HB2 SER 69 6.828 8.465 -16.098 578 HB3 SER 69 HB3 SER 69 5.481 7.345 -15.918 579 HG SER 69 HG SER 69 4.289 9.245 -15.134 580 HA PRO 70 HA PRO 70 9.296 5.815 -12.222 581 HB2 PRO 70 HB2 PRO 70 7.160 3.872 -11.383 582 HB3 PRO 70 HB3 PRO 70 8.618 4.390 -10.509 583 HG2 PRO 70 HG2 PRO 70 6.242 5.355 -9.846 584 HG3 PRO 70 HG3 PRO 70 7.672 6.403 -9.859 585 HD2 PRO 70 HD2 PRO 70 5.416 6.275 -11.825 586 HD3 PRO 70 HD3 PRO 70 6.382 7.675 -11.311 587 H THR 71 H THR 71 10.240 5.107 -14.077 588 HA THR 71 HA THR 71 10.753 3.766 -15.854 589 HB THR 71 HB THR 71 10.382 1.453 -15.610 590 HG1 THR 71 HG1 THR 71 8.290 1.112 -15.499 591 HG21 THR 71 HG21 THR 71 11.505 2.653 -13.626 592 HG22 THR 71 HG22 THR 71 10.923 1.011 -13.350 593 HG23 THR 71 HG23 THR 71 9.986 2.386 -12.770 594 HA PRO 72 HA PRO 72 7.398 4.467 -18.691 595 HB2 PRO 72 HB2 PRO 72 8.251 3.113 -20.896 596 HB3 PRO 72 HB3 PRO 72 9.039 4.602 -20.333 597 HG2 PRO 72 HG2 PRO 72 9.859 1.759 -19.905 598 HG3 PRO 72 HG3 PRO 72 10.853 3.160 -20.348 599 HD2 PRO 72 HD2 PRO 72 10.707 2.216 -17.784 600 HD3 PRO 72 HD3 PRO 72 10.983 3.932 -18.160 601 H LYS 73 H LYS 73 8.531 1.076 -18.880 602 HA LYS 73 HA LYS 73 6.262 -0.153 -19.798 603 HB2 LYS 73 HB2 LYS 73 7.052 -2.114 -18.253 604 HB3 LYS 73 HB3 LYS 73 8.121 -1.555 -19.539 605 HG2 LYS 73 HG2 LYS 73 9.418 -0.239 -18.002 606 HG3 LYS 73 HG3 LYS 73 8.249 -0.497 -16.706 607 HD2 LYS 73 HD2 LYS 73 8.737 -2.945 -16.809 608 HD3 LYS 73 HD3 LYS 73 9.988 -2.613 -18.008 609 HE2 LYS 73 HE2 LYS 73 11.012 -1.013 -16.306 610 HE3 LYS 73 HE3 LYS 73 9.904 -1.708 -15.123 611 HZ1 LYS 73 HZ1 LYS 73 11.673 -3.085 -14.857 612 HZ2 LYS 73 HZ2 LYS 73 12.203 -2.923 -16.463 613 HZ3 LYS 73 HZ3 LYS 73 10.882 -3.927 -16.098 614 HA PRO 74 HA PRO 74 3.217 0.383 -16.619 615 HB2 PRO 74 HB2 PRO 74 1.652 -1.832 -16.956 616 HB3 PRO 74 HB3 PRO 74 1.689 -0.499 -18.129 617 HG2 PRO 74 HG2 PRO 74 3.113 -3.128 -18.216 618 HG3 PRO 74 HG3 PRO 74 2.250 -2.275 -19.509 619 HD2 PRO 74 HD2 PRO 74 4.970 -2.205 -19.282 620 HD3 PRO 74 HD3 PRO 74 4.035 -0.845 -19.942 621 H1 VAL 208 H1 VAL 208 -1.375 -2.319 15.394 622 H2 VAL 208 H2 VAL 208 -1.119 -1.999 17.044 623 H3 VAL 208 H3 VAL 208 -0.123 -3.106 16.226 624 HA VAL 208 HA VAL 208 0.948 -0.927 16.606 625 HB VAL 208 HB VAL 208 1.754 -0.707 14.273 626 HG11 VAL 208 HG11 VAL 208 2.561 -2.563 15.710 627 HG12 VAL 208 HG12 VAL 208 2.519 -3.025 14.009 628 HG13 VAL 208 HG13 VAL 208 1.255 -3.582 15.106 629 HG21 VAL 208 HG21 VAL 208 -0.608 -2.525 13.710 630 HG22 VAL 208 HG22 VAL 208 0.701 -2.236 12.564 631 HG23 VAL 208 HG23 VAL 208 -0.339 -0.905 13.068 632 H GLU 209 H GLU 209 0.912 1.290 16.290 633 HA GLU 209 HA GLU 209 -1.607 2.548 16.101 634 HB2 GLU 209 HB2 GLU 209 0.482 3.448 17.231 635 HB3 GLU 209 HB3 GLU 209 1.059 3.886 15.623 636 HG2 GLU 209 HG2 GLU 209 -0.034 5.830 16.507 637 HG3 GLU 209 HG3 GLU 209 -1.122 5.143 15.302 638 H THR 210 H THR 210 -2.664 3.546 14.450 639 HA THR 210 HA THR 210 -1.445 4.120 11.920 640 HB THR 210 HB THR 210 -3.382 1.796 12.054 641 HG1 THR 210 HG1 THR 210 -1.566 0.670 11.232 642 HG21 THR 210 HG21 THR 210 -2.861 1.687 9.585 643 HG22 THR 210 HG22 THR 210 -2.084 3.262 9.746 644 HG23 THR 210 HG23 THR 210 -3.810 3.093 10.070 645 H PHE 211 H PHE 211 -2.900 5.186 10.464 646 HA PHE 211 HA PHE 211 -4.601 6.648 9.970 647 HB2 PHE 211 HB2 PHE 211 -5.872 4.417 10.335 648 HB3 PHE 211 HB3 PHE 211 -6.350 5.103 11.887 649 HD1 PHE 211 HD1 PHE 211 -7.386 7.510 11.831 650 HD2 PHE 211 HD2 PHE 211 -7.107 4.937 8.400 651 HE1 PHE 211 HE1 PHE 211 -9.163 8.819 10.705 652 HE2 PHE 211 HE2 PHE 211 -8.885 6.248 7.276 653 HZ PHE 211 HZ PHE 211 -9.913 8.188 8.427 654 H GLY 212 H GLY 212 -3.640 8.444 10.997 655 HA2 GLY 212 HA2 GLY 212 -4.998 9.302 13.472 656 HA3 GLY 212 HA3 GLY 212 -3.238 9.329 13.421 657 H THR 213 H THR 213 -2.630 11.403 13.256 658 HA THR 213 HA THR 213 -3.178 12.911 10.907 659 HB THR 213 HB THR 213 -5.341 13.298 11.956 660 HG1 THR 213 HG1 THR 213 -4.062 15.670 12.575 661 HG21 THR 213 HG21 THR 213 -4.538 12.817 14.290 662 HG22 THR 213 HG22 THR 213 -5.546 14.260 14.167 663 HG23 THR 213 HG23 THR 213 -3.795 14.416 14.308 664 H THR 214 H THR 214 -0.888 12.066 12.375 665 HA THR 214 HA THR 214 0.434 14.647 12.702 666 HB THR 214 HB THR 214 1.410 13.990 14.895 667 HG1 THR 214 HG1 THR 214 -0.129 12.303 15.893 668 HG21 THR 214 HG21 THR 214 -0.467 14.671 16.190 669 HG22 THR 214 HG22 THR 214 -1.607 13.969 15.041 670 HG23 THR 214 HG23 THR 214 -0.696 15.416 14.607 671 H SER 215 H SER 215 2.053 14.411 11.294 672 HA SER 215 HA SER 215 3.740 13.433 10.053 673 HB2 SER 215 HB2 SER 215 4.530 12.152 12.664 674 HB3 SER 215 HB3 SER 215 5.571 12.721 11.363 675 HG SER 215 HG SER 215 4.737 14.050 13.485 676 H TYS 216 H TYS 216 5.121 10.958 10.627 677 HA TYS 216 HA TYS 216 3.116 8.857 10.522 678 HB2 TYS 216 HB2 TYS 216 3.351 9.885 8.167 679 HB3 TYS 216 HB1 TYS 216 4.940 9.124 8.132 680 HD1 TYS 216 HD1 TYS 216 1.376 8.297 8.989 681 HD2 TYS 216 HD2 TYS 216 5.074 6.935 7.334 682 HE1 TYS 216 HE1 TYS 216 0.320 6.128 8.424 683 HE2 TYS 216 HE2 TYS 216 4.041 4.762 6.771 684 H TYS 217 H TYS 217 6.418 8.863 9.127 685 HA TYS 217 HA TYS 217 7.108 6.646 10.891 686 HB2 TYS 217 HB2 TYS 217 8.556 8.010 8.620 687 HB3 TYS 217 HB1 TYS 217 9.361 6.833 9.650 688 HD1 TYS 217 HD1 TYS 217 7.640 7.167 6.645 689 HD2 TYS 217 HD2 TYS 217 7.818 4.615 10.096 690 HE1 TYS 217 HE1 TYS 217 6.617 5.336 5.338 691 HE2 TYS 217 HE2 TYS 217 6.790 2.780 8.790 692 H ASP 218 H ASP 218 7.243 10.000 11.091 693 HA ASP 218 HA ASP 218 9.659 10.667 12.200 694 HB2 ASP 218 HB2 ASP 218 6.863 11.537 12.918 695 HB3 ASP 218 HB3 ASP 218 8.268 12.207 13.746 696 H ASP 219 H ASP 219 7.290 8.505 13.463 697 HA ASP 219 HA ASP 219 8.190 8.554 16.193 698 HB2 ASP 219 HB2 ASP 219 6.543 6.530 14.660 699 HB3 ASP 219 HB3 ASP 219 6.823 6.483 16.400 700 H VAL 220 H VAL 220 8.835 6.639 13.321 701 HA VAL 220 HA VAL 220 10.543 5.231 12.761 702 HB VAL 220 HB VAL 220 11.928 6.034 15.321 703 HG11 VAL 220 HG11 VAL 220 12.915 5.224 12.569 704 HG12 VAL 220 HG12 VAL 220 12.925 4.199 14.004 705 HG13 VAL 220 HG13 VAL 220 13.937 5.643 13.944 706 HG21 VAL 220 HG21 VAL 220 11.595 7.526 12.706 707 HG22 VAL 220 HG22 VAL 220 12.967 7.819 13.776 708 HG23 VAL 220 HG23 VAL 220 11.328 8.126 14.344 709 H GLY 221 H GLY 221 9.520 5.088 16.149 710 HA2 GLY 221 HA2 GLY 221 10.331 2.383 16.574 711 HA3 GLY 221 HA3 GLY 221 9.192 3.294 17.565 712 H LEU 222 H LEU 222 8.128 3.625 14.502 713 HA LEU 222 HA LEU 222 5.875 1.919 14.869 714 HB2 LEU 222 HB2 LEU 222 5.586 3.955 13.632 715 HB3 LEU 222 HB3 LEU 222 6.881 3.532 12.516 716 HG LEU 222 HG LEU 222 5.575 1.745 11.555 717 HD11 LEU 222 HD11 LEU 222 4.470 0.757 13.407 718 HD12 LEU 222 HD12 LEU 222 3.164 1.450 12.446 719 HD13 LEU 222 HD13 LEU 222 3.735 2.286 13.891 720 HD21 LEU 222 HD21 LEU 222 3.805 3.001 10.553 721 HD22 LEU 222 HD22 LEU 222 5.068 4.172 10.936 722 HD23 LEU 222 HD23 LEU 222 3.646 4.039 11.970 723 H LEU 223 H LEU 223 8.429 1.896 12.366 724 HA LEU 223 HA LEU 223 7.841 -0.471 11.113 725 HB2 LEU 223 HB2 LEU 223 9.608 0.916 10.270 726 HB3 LEU 223 HB3 LEU 223 10.535 0.746 11.758 727 HG LEU 223 HG LEU 223 10.982 -1.579 11.309 728 HD11 LEU 223 HD11 LEU 223 8.911 -1.220 9.138 729 HD12 LEU 223 HD12 LEU 223 8.944 -2.416 10.433 730 HD13 LEU 223 HD13 LEU 223 10.074 -2.545 9.087 731 HD21 LEU 223 HD21 LEU 223 11.240 -0.172 8.641 732 HD22 LEU 223 HD22 LEU 223 12.310 -1.396 9.325 733 HD23 LEU 223 HD23 LEU 223 12.260 0.222 10.025 Start of MODEL 17 1 H1 GLY 1 H1 GLY 1 10.234 -5.139 -6.225 2 H2 GLY 1 H2 GLY 1 10.022 -6.463 -7.268 3 H3 GLY 1 H3 GLY 1 10.743 -6.683 -5.746 4 HA2 GLY 1 HA2 GLY 1 8.800 -6.802 -4.677 5 HA3 GLY 1 HA3 GLY 1 8.119 -5.491 -5.640 6 HA PRO 2 HA PRO 2 7.960 -9.724 -8.248 7 HB2 PRO 2 HB2 PRO 2 7.513 -11.378 -5.779 8 HB3 PRO 2 HB3 PRO 2 8.304 -11.826 -7.305 9 HG2 PRO 2 HG2 PRO 2 9.747 -11.278 -5.147 10 HG3 PRO 2 HG3 PRO 2 10.277 -10.746 -6.754 11 HD2 PRO 2 HD2 PRO 2 9.090 -9.124 -4.533 12 HD3 PRO 2 HD3 PRO 2 10.286 -8.649 -5.760 13 H ALA 3 H ALA 3 6.171 -9.924 -5.154 14 HA ALA 3 HA ALA 3 3.730 -8.960 -6.334 15 HB1 ALA 3 HB1 ALA 3 3.576 -11.175 -7.242 16 HB2 ALA 3 HB2 ALA 3 2.467 -11.096 -5.873 17 HB3 ALA 3 HB3 ALA 3 4.027 -11.901 -5.700 18 H SER 4 H SER 4 2.621 -7.963 -4.782 19 HA SER 4 HA SER 4 3.470 -7.891 -2.100 20 HB2 SER 4 HB2 SER 4 0.900 -7.048 -3.438 21 HB3 SER 4 HB3 SER 4 1.199 -6.795 -1.720 22 HG SER 4 HG SER 4 2.518 -5.711 -3.962 23 H VAL 5 H VAL 5 0.748 -9.593 -3.633 24 HA VAL 5 HA VAL 5 -0.569 -11.331 -2.906 25 HB VAL 5 HB VAL 5 1.821 -11.979 -1.169 26 HG11 VAL 5 HG11 VAL 5 -0.427 -13.669 -2.306 27 HG12 VAL 5 HG12 VAL 5 -0.209 -13.242 -0.609 28 HG13 VAL 5 HG13 VAL 5 0.957 -14.295 -1.410 29 HG21 VAL 5 HG21 VAL 5 2.388 -11.646 -3.588 30 HG22 VAL 5 HG22 VAL 5 1.187 -12.870 -4.000 31 HG23 VAL 5 HG23 VAL 5 2.608 -13.314 -3.055 32 HA PRO 6 HA PRO 6 -1.767 -8.733 0.792 33 HB2 PRO 6 HB2 PRO 6 -4.399 -9.602 -0.365 34 HB3 PRO 6 HB3 PRO 6 -3.919 -8.016 0.275 35 HG2 PRO 6 HG2 PRO 6 -4.096 -8.424 -2.342 36 HG3 PRO 6 HG3 PRO 6 -2.795 -7.427 -1.662 37 HD2 PRO 6 HD2 PRO 6 -2.659 -10.224 -2.735 38 HD3 PRO 6 HD3 PRO 6 -1.440 -8.931 -2.801 39 H THR 7 H THR 7 -2.942 -9.397 2.722 40 HA THR 7 HA THR 7 -3.987 -12.045 3.006 41 HB THR 7 HB THR 7 -1.635 -12.672 2.921 42 HG1 THR 7 HG1 THR 7 -2.162 -13.981 4.451 43 HG21 THR 7 HG21 THR 7 -1.208 -10.822 5.276 44 HG22 THR 7 HG22 THR 7 -0.823 -10.372 3.615 45 HG23 THR 7 HG23 THR 7 0.016 -11.721 4.381 46 H THR 8 H THR 8 -3.374 -8.908 4.040 47 HA THR 8 HA THR 8 -5.285 -9.108 6.176 48 HB THR 8 HB THR 8 -3.262 -9.927 7.337 49 HG1 THR 8 HG1 THR 8 -4.643 -7.646 7.950 50 HG21 THR 8 HG21 THR 8 -2.088 -7.191 6.822 51 HG22 THR 8 HG22 THR 8 -1.701 -8.591 5.822 52 HG23 THR 8 HG23 THR 8 -1.295 -8.593 7.538 53 H CYS 9 H CYS 9 -3.507 -7.451 3.874 54 HA CYS 9 HA CYS 9 -3.483 -5.280 3.129 55 HB2 CYS 9 HB2 CYS 9 -6.124 -5.451 4.566 56 HB3 CYS 9 HB3 CYS 9 -5.603 -3.946 3.806 57 H CYS 10 H CYS 10 -3.264 -3.008 3.784 58 HA CYS 10 HA CYS 10 -1.784 -2.798 6.240 59 HB2 CYS 10 HB2 CYS 10 -2.452 -0.232 4.949 60 HB3 CYS 10 HB3 CYS 10 -0.875 -0.958 5.239 61 H PHE 11 H PHE 11 -4.396 -3.602 6.800 62 HA PHE 11 HA PHE 11 -6.176 -3.108 8.177 63 HB2 PHE 11 HB2 PHE 11 -4.638 -0.644 9.011 64 HB3 PHE 11 HB3 PHE 11 -5.799 -1.576 9.957 65 HD1 PHE 11 HD2 PHE 11 -5.209 -3.853 10.781 66 HD2 PHE 11 HD1 PHE 11 -2.341 -1.332 8.813 67 HE1 PHE 11 HE2 PHE 11 -3.368 -5.273 11.643 68 HE2 PHE 11 HE1 PHE 11 -0.501 -2.752 9.676 69 HZ PHE 11 HZ PHE 11 -1.014 -4.722 11.091 70 H ASN 12 H ASN 12 -7.448 -2.690 6.294 71 HA ASN 12 HA ASN 12 -8.669 -1.438 4.812 72 HB2 ASN 12 HB2 ASN 12 -9.760 0.618 5.952 73 HB3 ASN 12 HB3 ASN 12 -10.128 -0.983 6.582 74 HD21 ASN 12 HD21 ASN 12 -9.268 -1.555 8.689 75 HD22 ASN 12 HD22 ASN 12 -8.546 -0.400 9.702 76 H LEU 13 H LEU 13 -8.191 1.636 6.174 77 HA LEU 13 HA LEU 13 -6.180 2.312 4.086 78 HB2 LEU 13 HB2 LEU 13 -8.193 4.277 5.172 79 HB3 LEU 13 HB3 LEU 13 -7.255 4.355 3.681 80 HG LEU 13 HG LEU 13 -9.432 2.316 4.234 81 HD11 LEU 13 HD11 LEU 13 -10.508 4.433 4.034 82 HD12 LEU 13 HD12 LEU 13 -10.632 3.684 2.441 83 HD13 LEU 13 HD13 LEU 13 -9.429 4.940 2.735 84 HD21 LEU 13 HD21 LEU 13 -7.707 2.981 1.836 85 HD22 LEU 13 HD22 LEU 13 -9.215 2.081 1.687 86 HD23 LEU 13 HD23 LEU 13 -7.887 1.423 2.641 87 H ALA 14 H ALA 14 -4.786 4.120 4.586 88 HA ALA 14 HA ALA 14 -3.893 4.059 7.353 89 HB1 ALA 14 HB1 ALA 14 -2.183 4.005 5.649 90 HB2 ALA 14 HB2 ALA 14 -2.078 5.560 6.476 91 HB3 ALA 14 HB3 ALA 14 -2.834 5.455 4.885 92 H ASN 15 H ASN 15 -3.466 6.077 8.538 93 HA ASN 15 HA ASN 15 -5.729 7.912 8.283 94 HB2 ASN 15 HB2 ASN 15 -4.687 8.841 10.453 95 HB3 ASN 15 HB3 ASN 15 -5.390 7.226 10.508 96 HD21 ASN 15 HD21 ASN 15 -3.652 7.421 12.474 97 HD22 ASN 15 HD22 ASN 15 -2.128 6.773 12.103 98 H ARG 16 H ARG 16 -2.433 8.701 9.301 99 HA ARG 16 HA ARG 16 -2.472 11.272 8.179 100 HB2 ARG 16 HB2 ARG 16 0.048 9.692 8.661 101 HB3 ARG 16 HB3 ARG 16 -0.207 11.430 8.831 102 HG2 ARG 16 HG2 ARG 16 -1.918 10.846 10.651 103 HG3 ARG 16 HG3 ARG 16 -1.256 9.212 10.602 104 HD2 ARG 16 HD2 ARG 16 1.049 10.360 10.910 105 HD3 ARG 16 HD3 ARG 16 0.121 11.773 11.402 106 HE ARG 16 HE ARG 16 0.589 9.436 12.969 107 HH11 ARG 16 HH21 ARG 16 -1.781 11.826 12.167 108 HH12 ARG 16 HH22 ARG 16 -2.610 11.712 13.683 109 HH21 ARG 16 HH11 ARG 16 -0.494 9.281 14.958 110 HH22 ARG 16 HH12 ARG 16 -1.881 10.271 15.263 111 H LYS 17 H LYS 17 0.423 10.371 7.044 112 HA LYS 17 HA LYS 17 -0.482 9.476 4.390 113 HB2 LYS 17 HB2 LYS 17 0.776 11.267 3.276 114 HB3 LYS 17 HB3 LYS 17 -0.510 11.926 4.282 115 HG2 LYS 17 HG2 LYS 17 1.131 12.329 6.096 116 HG3 LYS 17 HG3 LYS 17 2.416 11.730 5.051 117 HD2 LYS 17 HD2 LYS 17 0.628 13.970 4.102 118 HD3 LYS 17 HD3 LYS 17 1.976 14.317 5.184 119 HE2 LYS 17 HE2 LYS 17 3.510 13.170 3.574 120 HE3 LYS 17 HE3 LYS 17 2.148 12.969 2.471 121 HZ1 LYS 17 HZ1 LYS 17 2.705 15.645 3.523 122 HZ2 LYS 17 HZ2 LYS 17 2.056 15.183 2.021 123 HZ3 LYS 17 HZ3 LYS 17 3.724 15.035 2.313 124 H ILE 18 H ILE 18 1.953 9.937 3.075 125 HA ILE 18 HA ILE 18 3.905 8.334 4.596 126 HB ILE 18 HB ILE 18 2.667 7.791 1.911 127 HG12 ILE 18 HG12 ILE 18 2.024 6.671 4.154 128 HG13 ILE 18 HG13 ILE 18 2.289 5.632 2.762 129 HG21 ILE 18 HG21 ILE 18 5.453 6.946 2.739 130 HG22 ILE 18 HG22 ILE 18 4.980 7.816 1.284 131 HG23 ILE 18 HG23 ILE 18 4.527 6.126 1.488 132 HD11 ILE 18 HD11 ILE 18 4.160 4.677 3.659 133 HD12 ILE 18 HD12 ILE 18 3.436 5.202 5.177 134 HD13 ILE 18 HD13 ILE 18 4.695 6.164 4.428 135 HA PRO 19 HA PRO 19 6.523 11.702 3.142 136 HB2 PRO 19 HB2 PRO 19 8.997 10.440 3.342 137 HB3 PRO 19 HB3 PRO 19 8.146 11.195 4.702 138 HG2 PRO 19 HG2 PRO 19 8.229 8.322 3.890 139 HG3 PRO 19 HG3 PRO 19 8.341 9.029 5.506 140 HD2 PRO 19 HD2 PRO 19 6.076 7.938 4.671 141 HD3 PRO 19 HD3 PRO 19 6.039 9.414 5.649 142 H LEU 20 H LEU 20 7.148 12.355 1.142 143 HA LEU 20 HA LEU 20 6.862 10.581 -1.069 144 HB2 LEU 20 HB2 LEU 20 7.499 13.478 -0.715 145 HB3 LEU 20 HB3 LEU 20 7.876 12.739 -2.271 146 HG LEU 20 HG LEU 20 5.560 11.971 -2.499 147 HD11 LEU 20 HD11 LEU 20 5.285 13.199 0.249 148 HD12 LEU 20 HD12 LEU 20 4.897 11.552 -0.252 149 HD13 LEU 20 HD13 LEU 20 3.891 12.896 -0.790 150 HD21 LEU 20 HD21 LEU 20 5.488 14.879 -1.667 151 HD22 LEU 20 HD22 LEU 20 4.556 14.089 -2.940 152 HD23 LEU 20 HD23 LEU 20 6.290 14.343 -3.144 153 H GLN 21 H GLN 21 9.590 11.617 0.809 154 HA GLN 21 HA GLN 21 11.619 11.142 -1.119 155 HB2 GLN 21 HB2 GLN 21 13.089 10.946 0.975 156 HB3 GLN 21 HB3 GLN 21 12.231 12.468 0.734 157 HG2 GLN 21 HG2 GLN 21 10.542 11.870 2.323 158 HG3 GLN 21 HG3 GLN 21 11.118 10.203 2.398 159 HE21 GLN 21 HE21 GLN 21 10.940 12.431 4.534 160 HE22 GLN 21 HE22 GLN 21 12.497 12.464 5.207 161 H ARG 22 H ARG 22 9.785 8.974 0.900 162 HA ARG 22 HA ARG 22 11.678 6.762 0.353 163 HB2 ARG 22 HB2 ARG 22 9.425 7.072 2.342 164 HB3 ARG 22 HB3 ARG 22 10.297 5.559 2.088 165 HG2 ARG 22 HG2 ARG 22 12.251 6.352 3.053 166 HG3 ARG 22 HG3 ARG 22 11.962 8.014 2.548 167 HD2 ARG 22 HD2 ARG 22 10.629 8.489 4.384 168 HD3 ARG 22 HD3 ARG 22 10.110 6.818 4.582 169 HE ARG 22 HE ARG 22 12.353 8.032 5.846 170 HH11 ARG 22 HH21 ARG 22 11.260 5.116 4.333 171 HH12 ARG 22 HH22 ARG 22 12.323 4.087 5.233 172 HH21 ARG 22 HH11 ARG 22 13.751 6.685 7.028 173 HH22 ARG 22 HH12 ARG 22 13.731 4.975 6.758 174 H LEU 23 H LEU 23 8.407 7.857 -0.248 175 HA LEU 23 HA LEU 23 7.244 5.474 -1.136 176 HB2 LEU 23 HB2 LEU 23 5.722 7.201 -0.855 177 HB3 LEU 23 HB3 LEU 23 6.787 8.387 -1.565 178 HG LEU 23 HG LEU 23 4.729 7.893 -2.891 179 HD11 LEU 23 HD11 LEU 23 5.817 8.562 -4.732 180 HD12 LEU 23 HD12 LEU 23 6.762 7.079 -4.834 181 HD13 LEU 23 HD13 LEU 23 7.304 8.404 -3.812 182 HD21 LEU 23 HD21 LEU 23 5.694 5.450 -4.147 183 HD22 LEU 23 HD22 LEU 23 4.124 5.815 -3.470 184 HD23 LEU 23 HD23 LEU 23 5.393 5.197 -2.433 185 H GLU 24 H GLU 24 7.293 4.346 -3.032 186 HA GLU 24 HA GLU 24 9.277 5.208 -5.063 187 HB2 GLU 24 HB2 GLU 24 9.860 3.107 -4.000 188 HB3 GLU 24 HB3 GLU 24 8.254 2.460 -4.333 189 HG2 GLU 24 HG2 GLU 24 8.638 2.447 -6.690 190 HG3 GLU 24 HG3 GLU 24 10.095 3.427 -6.526 191 H SER 25 H SER 25 6.336 3.181 -4.938 192 HA SER 25 HA SER 25 5.084 4.721 -7.058 193 HB2 SER 25 HB2 SER 25 6.322 3.350 -8.522 194 HB3 SER 25 HB3 SER 25 6.140 1.934 -7.492 195 HG SER 25 HG SER 25 4.724 2.301 -9.494 196 H TYR 26 H TYR 26 2.845 4.039 -7.434 197 HA TYR 26 HA TYR 26 1.696 2.816 -5.013 198 HB2 TYR 26 HB2 TYR 26 -0.360 3.878 -5.595 199 HB3 TYR 26 HB3 TYR 26 0.914 5.074 -5.822 200 HD1 TYR 26 HD2 TYR 26 1.715 5.636 -8.106 201 HD2 TYR 26 HD1 TYR 26 -1.619 3.017 -7.445 202 HE1 TYR 26 HE2 TYR 26 1.043 5.909 -10.473 203 HE2 TYR 26 HE1 TYR 26 -2.294 3.278 -9.818 204 HH TYR 26 HH TYR 26 -1.234 3.887 -11.976 205 H ARG 27 H ARG 27 -0.228 1.411 -5.300 206 HA ARG 27 HA ARG 27 -0.350 -0.116 -7.794 207 HB2 ARG 27 HB2 ARG 27 1.402 -1.320 -6.721 208 HB3 ARG 27 HB3 ARG 27 0.611 -1.236 -5.154 209 HG2 ARG 27 HG2 ARG 27 0.417 -3.485 -6.136 210 HG3 ARG 27 HG3 ARG 27 -1.172 -2.748 -5.976 211 HD2 ARG 27 HD2 ARG 27 -0.717 -3.886 -8.196 212 HD3 ARG 27 HD3 ARG 27 -1.248 -2.215 -8.308 213 HE ARG 27 HE ARG 27 0.816 -1.685 -9.219 214 HH11 ARG 27 HH21 ARG 27 0.938 -4.722 -7.566 215 HH12 ARG 27 HH22 ARG 27 2.550 -5.093 -8.080 216 HH21 ARG 27 HH11 ARG 27 2.929 -2.164 -9.897 217 HH22 ARG 27 HH12 ARG 27 3.678 -3.645 -9.399 218 H ARG 28 H ARG 28 -2.383 -0.770 -8.193 219 HA ARG 28 HA ARG 28 -4.453 -0.145 -6.265 220 HB2 ARG 28 HB2 ARG 28 -4.288 -0.151 -9.057 221 HB3 ARG 28 HB3 ARG 28 -5.353 -1.507 -8.705 222 HG2 ARG 28 HG2 ARG 28 -6.718 0.024 -7.245 223 HG3 ARG 28 HG3 ARG 28 -5.702 1.363 -7.780 224 HD2 ARG 28 HD2 ARG 28 -7.278 -0.432 -9.643 225 HD3 ARG 28 HD3 ARG 28 -7.816 1.154 -9.098 226 HE ARG 28 HE ARG 28 -5.249 1.444 -10.199 227 HH11 ARG 28 HH21 ARG 28 -8.470 0.578 -11.120 228 HH12 ARG 28 HH22 ARG 28 -8.311 1.165 -12.742 229 HH21 ARG 28 HH11 ARG 28 -5.033 2.215 -12.324 230 HH22 ARG 28 HH12 ARG 28 -6.365 2.092 -13.424 231 H ILE 29 H ILE 29 -5.873 -1.556 -5.303 232 HA ILE 29 HA ILE 29 -4.988 -4.372 -5.204 233 HB ILE 29 HB ILE 29 -7.031 -3.641 -3.210 234 HG12 ILE 29 HG12 ILE 29 -4.437 -2.056 -3.179 235 HG13 ILE 29 HG13 ILE 29 -6.028 -1.379 -3.512 236 HG21 ILE 29 HG21 ILE 29 -5.585 -5.601 -3.013 237 HG22 ILE 29 HG22 ILE 29 -5.274 -4.508 -1.667 238 HG23 ILE 29 HG23 ILE 29 -4.150 -4.579 -3.023 239 HD11 ILE 29 HD11 ILE 29 -6.808 -2.019 -1.286 240 HD12 ILE 29 HD12 ILE 29 -5.355 -1.028 -1.152 241 HD13 ILE 29 HD13 ILE 29 -5.254 -2.774 -0.934 242 H THR 30 H THR 30 -8.108 -2.683 -4.820 243 HA THR 30 HA THR 30 -10.205 -3.158 -5.608 244 HB THR 30 HB THR 30 -10.376 -3.405 -7.900 245 HG1 THR 30 HG1 THR 30 -9.779 -5.447 -8.224 246 HG21 THR 30 HG21 THR 30 -7.402 -3.004 -7.983 247 HG22 THR 30 HG22 THR 30 -8.396 -1.792 -7.177 248 HG23 THR 30 HG23 THR 30 -8.664 -2.164 -8.879 249 H SER 31 H SER 31 -11.566 -4.638 -4.867 250 HA SER 31 HA SER 31 -12.309 -6.635 -3.978 251 HB2 SER 31 HB2 SER 31 -11.114 -7.752 -6.520 252 HB3 SER 31 HB3 SER 31 -12.452 -8.420 -5.587 253 HG SER 31 HG SER 31 -12.360 -5.972 -7.022 254 H GLY 32 H GLY 32 -10.849 -9.184 -4.996 255 HA2 GLY 32 HA2 GLY 32 -9.177 -10.594 -4.264 256 HA3 GLY 32 HA3 GLY 32 -8.265 -9.164 -3.787 257 H LYS 33 H LYS 33 -9.176 -8.030 -1.782 258 HA LYS 33 HA LYS 33 -10.697 -9.501 0.113 259 HB2 LYS 33 HB2 LYS 33 -8.523 -10.828 0.032 260 HB3 LYS 33 HB3 LYS 33 -7.745 -9.414 0.743 261 HG2 LYS 33 HG2 LYS 33 -9.518 -9.513 2.571 262 HG3 LYS 33 HG3 LYS 33 -9.963 -11.094 1.930 263 HD2 LYS 33 HD2 LYS 33 -7.236 -10.281 2.979 264 HD3 LYS 33 HD3 LYS 33 -8.370 -11.386 3.756 265 HE2 LYS 33 HE2 LYS 33 -6.766 -11.801 1.239 266 HE3 LYS 33 HE3 LYS 33 -6.875 -12.838 2.661 267 HZ1 LYS 33 HZ1 LYS 33 -8.688 -12.594 0.395 268 HZ2 LYS 33 HZ2 LYS 33 -9.407 -12.826 1.917 269 HZ3 LYS 33 HZ3 LYS 33 -8.286 -13.956 1.323 270 H CYS 34 H CYS 34 -8.483 -6.950 -0.713 271 HA CYS 34 HA CYS 34 -8.670 -5.488 1.713 272 HB2 CYS 34 HB2 CYS 34 -7.295 -5.249 -0.754 273 HB3 CYS 34 HB3 CYS 34 -8.212 -3.759 -0.576 274 HA PRO 35 HA PRO 35 -12.479 -3.298 1.509 275 HB2 PRO 35 HB2 PRO 35 -11.159 -0.651 1.080 276 HB3 PRO 35 HB3 PRO 35 -12.235 -1.172 2.392 277 HG2 PRO 35 HG2 PRO 35 -9.616 -0.854 2.777 278 HG3 PRO 35 HG3 PRO 35 -10.525 -2.146 3.586 279 HD2 PRO 35 HD2 PRO 35 -8.671 -2.327 1.232 280 HD3 PRO 35 HD3 PRO 35 -8.907 -3.461 2.581 281 H GLN 36 H GLN 36 -12.791 -0.678 0.049 282 HA GLN 36 HA GLN 36 -13.531 -1.772 -2.507 283 HB2 GLN 36 HB2 GLN 36 -14.240 0.558 -3.007 284 HB3 GLN 36 HB3 GLN 36 -14.902 -0.033 -1.482 285 HG2 GLN 36 HG2 GLN 36 -13.048 1.095 -0.268 286 HG3 GLN 36 HG3 GLN 36 -12.464 1.741 -1.801 287 HE21 GLN 36 HE21 GLN 36 -14.744 2.227 0.766 288 HE22 GLN 36 HE22 GLN 36 -15.551 3.552 0.078 289 H LYS 37 H LYS 37 -12.899 -0.386 -4.520 290 HA LYS 37 HA LYS 37 -10.292 -0.844 -5.217 291 HB2 LYS 37 HB2 LYS 37 -12.323 0.047 -6.614 292 HB3 LYS 37 HB3 LYS 37 -11.664 1.638 -6.239 293 HG2 LYS 37 HG2 LYS 37 -9.418 0.736 -7.096 294 HG3 LYS 37 HG3 LYS 37 -10.337 -0.620 -7.748 295 HD2 LYS 37 HD2 LYS 37 -10.693 2.313 -8.423 296 HD3 LYS 37 HD3 LYS 37 -10.121 1.037 -9.497 297 HE2 LYS 37 HE2 LYS 37 -12.389 -0.113 -9.036 298 HE3 LYS 37 HE3 LYS 37 -12.901 1.451 -8.400 299 HZ1 LYS 37 HZ1 LYS 37 -12.393 0.643 -11.129 300 HZ2 LYS 37 HZ2 LYS 37 -11.754 2.160 -10.709 301 HZ3 LYS 37 HZ3 LYS 37 -13.415 1.855 -10.528 302 H ALA 38 H ALA 38 -8.426 -0.164 -4.369 303 HA ALA 38 HA ALA 38 -8.110 2.657 -3.613 304 HB1 ALA 38 HB1 ALA 38 -8.648 1.817 -1.486 305 HB2 ALA 38 HB2 ALA 38 -6.886 1.794 -1.500 306 HB3 ALA 38 HB3 ALA 38 -7.789 0.304 -1.768 307 H VAL 39 H VAL 39 -5.743 3.084 -3.000 308 HA VAL 39 HA VAL 39 -3.989 1.570 -4.848 309 HB VAL 39 HB VAL 39 -2.724 3.578 -5.188 310 HG11 VAL 39 HG11 VAL 39 -5.609 4.472 -5.276 311 HG12 VAL 39 HG12 VAL 39 -5.004 3.211 -6.352 312 HG13 VAL 39 HG13 VAL 39 -4.310 4.828 -6.415 313 HG21 VAL 39 HG21 VAL 39 -2.779 4.555 -2.977 314 HG22 VAL 39 HG22 VAL 39 -4.531 4.748 -3.055 315 HG23 VAL 39 HG23 VAL 39 -3.489 5.720 -4.094 316 H ILE 40 H ILE 40 -1.771 1.285 -4.222 317 HA ILE 40 HA ILE 40 -1.354 1.298 -1.280 318 HB ILE 40 HB ILE 40 -0.795 -0.832 -3.340 319 HG12 ILE 40 HG12 ILE 40 -2.021 -1.074 -0.591 320 HG13 ILE 40 HG13 ILE 40 -2.981 -0.665 -2.013 321 HG21 ILE 40 HG21 ILE 40 0.475 -0.474 -0.621 322 HG22 ILE 40 HG22 ILE 40 1.274 -0.762 -2.163 323 HG23 ILE 40 HG23 ILE 40 0.348 -2.050 -1.397 324 HD11 ILE 40 HD11 ILE 40 -3.031 -3.090 -1.613 325 HD12 ILE 40 HD12 ILE 40 -1.270 -3.146 -1.685 326 HD13 ILE 40 HD13 ILE 40 -2.197 -2.733 -3.128 327 H PHE 41 H PHE 41 0.082 2.933 -0.965 328 HA PHE 41 HA PHE 41 2.258 3.411 -2.833 329 HB2 PHE 41 HB2 PHE 41 1.770 4.636 -0.108 330 HB3 PHE 41 HB3 PHE 41 2.910 5.203 -1.324 331 HD1 PHE 41 HD2 PHE 41 1.844 5.627 -3.738 332 HD2 PHE 41 HD1 PHE 41 -0.345 5.625 -0.046 333 HE1 PHE 41 HE2 PHE 41 0.077 7.011 -4.790 334 HE2 PHE 41 HE1 PHE 41 -2.099 7.012 -1.086 335 HZ PHE 41 HZ PHE 41 -1.895 7.705 -3.464 336 H LYS 42 H LYS 42 4.080 2.244 -2.786 337 HA LYS 42 HA LYS 42 4.799 0.811 -0.301 338 HB2 LYS 42 HB2 LYS 42 6.055 -0.683 -1.664 339 HB3 LYS 42 HB3 LYS 42 4.518 -0.435 -2.493 340 HG2 LYS 42 HG2 LYS 42 5.763 1.468 -3.763 341 HG3 LYS 42 HG3 LYS 42 7.232 0.687 -3.185 342 HD2 LYS 42 HD2 LYS 42 5.062 -0.561 -4.893 343 HD3 LYS 42 HD3 LYS 42 6.720 -0.207 -5.378 344 HE2 LYS 42 HE2 LYS 42 7.441 -1.760 -3.463 345 HE3 LYS 42 HE3 LYS 42 5.760 -2.287 -3.408 346 HZ1 LYS 42 HZ1 LYS 42 6.260 -2.441 -6.020 347 HZ2 LYS 42 HZ2 LYS 42 6.461 -3.742 -4.946 348 HZ3 LYS 42 HZ3 LYS 42 7.799 -2.799 -5.404 349 H THR 43 H THR 43 6.857 0.930 0.567 350 HA THR 43 HA THR 43 8.807 2.784 -0.566 351 HB THR 43 HB THR 43 8.192 4.524 0.766 352 HG1 THR 43 HG1 THR 43 9.858 3.568 2.050 353 HG21 THR 43 HG21 THR 43 5.935 3.743 1.017 354 HG22 THR 43 HG22 THR 43 6.491 4.222 2.620 355 HG23 THR 43 HG23 THR 43 6.427 2.515 2.183 356 H LYS 44 H LYS 44 10.857 2.734 0.690 357 HA LYS 44 HA LYS 44 11.558 0.019 1.286 358 HB2 LYS 44 HB2 LYS 44 13.800 0.956 1.746 359 HB3 LYS 44 HB3 LYS 44 13.156 1.521 0.203 360 HG2 LYS 44 HG2 LYS 44 12.359 3.596 1.348 361 HG3 LYS 44 HG3 LYS 44 13.148 3.042 2.825 362 HD2 LYS 44 HD2 LYS 44 15.320 3.005 1.661 363 HD3 LYS 44 HD3 LYS 44 14.536 3.546 0.176 364 HE2 LYS 44 HE2 LYS 44 15.546 5.460 1.321 365 HE3 LYS 44 HE3 LYS 44 13.789 5.607 1.349 366 HZ1 LYS 44 HZ1 LYS 44 13.714 4.873 3.574 367 HZ2 LYS 44 HZ2 LYS 44 14.945 6.042 3.511 368 HZ3 LYS 44 HZ3 LYS 44 15.340 4.389 3.561 369 H LEU 45 H LEU 45 9.524 1.114 3.038 370 HA LEU 45 HA LEU 45 10.761 1.678 5.576 371 HB2 LEU 45 HB2 LEU 45 8.074 1.699 4.444 372 HB3 LEU 45 HB3 LEU 45 8.058 0.909 6.012 373 HG LEU 45 HG LEU 45 7.622 3.268 6.308 374 HD11 LEU 45 HD11 LEU 45 10.455 3.249 7.230 375 HD12 LEU 45 HD12 LEU 45 9.450 1.902 7.770 376 HD13 LEU 45 HD13 LEU 45 8.970 3.557 8.126 377 HD21 LEU 45 HD21 LEU 45 9.676 4.838 5.712 378 HD22 LEU 45 HD22 LEU 45 8.461 4.441 4.503 379 HD23 LEU 45 HD23 LEU 45 10.003 3.590 4.510 380 H ALA 46 H ALA 46 8.316 -0.834 5.081 381 HA ALA 46 HA ALA 46 10.037 -3.039 5.592 382 HB1 ALA 46 HB1 ALA 46 10.104 -1.960 7.837 383 HB2 ALA 46 HB2 ALA 46 9.387 -3.570 7.871 384 HB3 ALA 46 HB3 ALA 46 8.354 -2.143 7.943 385 H LYS 47 H LYS 47 7.058 -1.620 4.912 386 HA LYS 47 HA LYS 47 5.955 -4.125 4.028 387 HB2 LYS 47 HB2 LYS 47 3.790 -3.632 5.459 388 HB3 LYS 47 HB3 LYS 47 5.135 -4.523 6.168 389 HG2 LYS 47 HG2 LYS 47 4.294 -2.713 7.660 390 HG3 LYS 47 HG3 LYS 47 5.988 -2.497 7.219 391 HD2 LYS 47 HD2 LYS 47 5.479 -0.779 5.661 392 HD3 LYS 47 HD3 LYS 47 3.762 -1.188 5.647 393 HE2 LYS 47 HE2 LYS 47 5.286 -0.050 8.011 394 HE3 LYS 47 HE3 LYS 47 4.168 0.845 6.982 395 HZ1 LYS 47 HZ1 LYS 47 3.566 -1.391 8.824 396 HZ2 LYS 47 HZ2 LYS 47 2.482 -0.905 7.610 397 HZ3 LYS 47 HZ3 LYS 47 2.928 0.181 8.839 398 H ASP 48 H ASP 48 3.535 -3.681 3.329 399 HA ASP 48 HA ASP 48 3.647 -1.340 1.584 400 HB2 ASP 48 HB2 ASP 48 1.550 -2.355 0.626 401 HB3 ASP 48 HB3 ASP 48 2.977 -3.385 0.527 402 H ILE 49 H ILE 49 2.030 0.239 1.473 403 HA ILE 49 HA ILE 49 0.371 0.536 3.922 404 HB ILE 49 HB ILE 49 1.566 2.706 2.173 405 HG12 ILE 49 HG12 ILE 49 2.726 3.083 4.589 406 HG13 ILE 49 HG13 ILE 49 2.494 1.344 4.695 407 HG21 ILE 49 HG21 ILE 49 -0.520 3.418 3.155 408 HG22 ILE 49 HG22 ILE 49 0.788 4.160 4.075 409 HG23 ILE 49 HG23 ILE 49 -0.063 2.760 4.726 410 HD11 ILE 49 HD11 ILE 49 3.876 2.733 2.377 411 HD12 ILE 49 HD12 ILE 49 3.780 0.996 2.662 412 HD13 ILE 49 HD13 ILE 49 4.719 2.017 3.749 413 H CYS 50 H CYS 50 -1.777 1.103 3.660 414 HA CYS 50 HA CYS 50 -2.834 0.892 0.905 415 HB2 CYS 50 HB2 CYS 50 -4.169 0.622 3.611 416 HB3 CYS 50 HB3 CYS 50 -5.017 0.548 2.070 417 H ALA 51 H ALA 51 -4.688 2.303 0.345 418 HA ALA 51 HA ALA 51 -5.287 4.666 1.786 419 HB1 ALA 51 HB1 ALA 51 -2.927 4.725 -0.011 420 HB2 ALA 51 HB2 ALA 51 -3.307 5.751 1.370 421 HB3 ALA 51 HB3 ALA 51 -4.047 6.071 -0.198 422 H ASP 52 H ASP 52 -7.086 5.595 0.966 423 HA ASP 52 HA ASP 52 -8.172 4.511 -1.537 424 HB2 ASP 52 HB2 ASP 52 -9.572 4.370 0.468 425 HB3 ASP 52 HB3 ASP 52 -9.469 6.118 0.679 426 HA PRO 53 HA PRO 53 -7.223 8.394 -3.581 427 HB2 PRO 53 HB2 PRO 53 -9.004 8.284 -5.680 428 HB3 PRO 53 HB3 PRO 53 -7.497 7.351 -5.619 429 HG2 PRO 53 HG2 PRO 53 -10.281 6.482 -4.969 430 HG3 PRO 53 HG3 PRO 53 -9.012 5.627 -5.871 431 HD2 PRO 53 HD2 PRO 53 -9.560 5.044 -3.283 432 HD3 PRO 53 HD3 PRO 53 -7.910 4.939 -3.938 433 H LYS 54 H LYS 54 -8.354 9.142 -1.439 434 HA LYS 54 HA LYS 54 -10.484 11.028 -2.219 435 HB2 LYS 54 HB2 LYS 54 -10.723 8.803 -0.327 436 HB3 LYS 54 HB3 LYS 54 -11.029 10.336 0.476 437 HG2 LYS 54 HG2 LYS 54 -13.106 9.364 -0.424 438 HG3 LYS 54 HG3 LYS 54 -12.736 10.899 -1.203 439 HD2 LYS 54 HD2 LYS 54 -12.259 9.914 -3.246 440 HD3 LYS 54 HD3 LYS 54 -11.660 8.426 -2.516 441 HE2 LYS 54 HE2 LYS 54 -13.766 7.991 -3.672 442 HE3 LYS 54 HE3 LYS 54 -14.000 7.807 -1.933 443 HZ1 LYS 54 HZ1 LYS 54 -15.298 9.629 -1.821 444 HZ2 LYS 54 HZ2 LYS 54 -15.579 9.285 -3.460 445 HZ3 LYS 54 HZ3 LYS 54 -14.442 10.467 -3.021 446 H LYS 55 H LYS 55 -8.456 10.072 0.559 447 HA LYS 55 HA LYS 55 -8.176 12.620 1.660 448 HB2 LYS 55 HB2 LYS 55 -5.721 11.138 2.072 449 HB3 LYS 55 HB3 LYS 55 -7.020 11.451 3.216 450 HG2 LYS 55 HG2 LYS 55 -8.268 9.512 2.387 451 HG3 LYS 55 HG3 LYS 55 -7.037 9.218 1.162 452 HD2 LYS 55 HD2 LYS 55 -6.782 7.725 3.135 453 HD3 LYS 55 HD3 LYS 55 -5.373 8.746 2.880 454 HE2 LYS 55 HE2 LYS 55 -7.561 9.683 4.724 455 HE3 LYS 55 HE3 LYS 55 -6.381 8.507 5.295 456 HZ1 LYS 55 HZ1 LYS 55 -4.833 10.065 5.454 457 HZ2 LYS 55 HZ2 LYS 55 -6.052 11.221 5.197 458 HZ3 LYS 55 HZ3 LYS 55 -5.134 10.645 3.888 459 H LYS 56 H LYS 56 -6.546 14.202 1.474 460 HA LYS 56 HA LYS 56 -5.825 14.868 -1.136 461 HB2 LYS 56 HB2 LYS 56 -6.060 16.475 0.722 462 HB3 LYS 56 HB3 LYS 56 -4.568 15.864 1.429 463 HG2 LYS 56 HG2 LYS 56 -4.358 16.667 -1.440 464 HG3 LYS 56 HG3 LYS 56 -4.678 17.989 -0.323 465 HD2 LYS 56 HD2 LYS 56 -2.499 16.000 0.307 466 HD3 LYS 56 HD3 LYS 56 -2.192 17.310 -0.831 467 HE2 LYS 56 HE2 LYS 56 -2.913 18.948 0.891 468 HE3 LYS 56 HE3 LYS 56 -3.149 17.624 2.031 469 HZ1 LYS 56 HZ1 LYS 56 -0.594 18.380 0.721 470 HZ2 LYS 56 HZ2 LYS 56 -0.803 17.042 1.748 471 HZ3 LYS 56 HZ3 LYS 56 -0.995 18.618 2.352 472 H TRP 57 H TRP 57 -3.587 13.742 1.452 473 HA TRP 57 HA TRP 57 -1.292 13.776 -0.117 474 HB2 TRP 57 HB2 TRP 57 -0.248 12.427 1.525 475 HB3 TRP 57 HB3 TRP 57 -1.429 13.407 2.384 476 HD1 TRP 57 HD1 TRP 57 -3.666 12.198 3.221 477 HE1 TRP 57 HE1 TRP 57 -4.153 9.728 3.762 478 HE3 TRP 57 HE3 TRP 57 0.294 9.971 0.870 479 HZ2 TRP 57 HZ2 TRP 57 -3.022 7.150 3.264 480 HZ3 TRP 57 HZ3 TRP 57 0.564 7.513 0.922 481 HH2 TRP 57 HH2 TRP 57 -1.090 6.098 2.118 482 H VAL 58 H VAL 58 -3.936 11.550 -0.252 483 HA VAL 58 HA VAL 58 -2.461 9.406 -1.474 484 HB VAL 58 HB VAL 58 -5.428 10.003 -1.400 485 HG11 VAL 58 HG11 VAL 58 -5.645 7.589 -2.054 486 HG12 VAL 58 HG12 VAL 58 -3.918 7.552 -2.350 487 HG13 VAL 58 HG13 VAL 58 -4.948 8.586 -3.325 488 HG21 VAL 58 HG21 VAL 58 -3.556 8.288 0.243 489 HG22 VAL 58 HG22 VAL 58 -5.295 7.999 0.212 490 HG23 VAL 58 HG23 VAL 58 -4.666 9.534 0.799 491 H GLN 59 H GLN 59 -4.786 11.804 -2.742 492 HA GLN 59 HA GLN 59 -4.358 11.103 -5.456 493 HB2 GLN 59 HB2 GLN 59 -5.226 13.872 -4.674 494 HB3 GLN 59 HB3 GLN 59 -5.807 12.842 -5.983 495 HG2 GLN 59 HG2 GLN 59 -6.606 11.289 -3.977 496 HG3 GLN 59 HG3 GLN 59 -6.526 12.789 -3.064 497 HE21 GLN 59 HE21 GLN 59 -8.363 11.022 -5.441 498 HE22 GLN 59 HE22 GLN 59 -9.562 12.200 -5.678 499 H ASP 60 H ASP 60 -2.792 13.357 -3.275 500 HA ASP 60 HA ASP 60 -1.295 14.717 -5.313 501 HB2 ASP 60 HB2 ASP 60 -1.933 15.564 -2.957 502 HB3 ASP 60 HB3 ASP 60 -0.560 14.618 -2.391 503 H SER 61 H SER 61 -0.786 11.869 -3.337 504 HA SER 61 HA SER 61 2.038 11.731 -3.640 505 HB2 SER 61 HB2 SER 61 1.609 9.251 -3.063 506 HB3 SER 61 HB3 SER 61 1.159 10.464 -1.869 507 HG SER 61 HG SER 61 -0.583 9.139 -2.097 508 H MET 62 H MET 62 -0.593 9.989 -5.359 509 HA MET 62 HA MET 62 1.216 8.724 -7.173 510 HB2 MET 62 HB2 MET 62 -0.889 8.240 -8.493 511 HB3 MET 62 HB3 MET 62 -0.894 7.660 -6.828 512 HG2 MET 62 HG2 MET 62 -2.262 9.473 -6.105 513 HG3 MET 62 HG3 MET 62 -2.050 10.334 -7.621 514 HE1 MET 62 HE1 MET 62 -4.191 8.290 -5.539 515 HE2 MET 62 HE2 MET 62 -3.269 6.903 -6.112 516 HE3 MET 62 HE3 MET 62 -4.972 7.060 -6.540 517 H LYS 63 H LYS 63 -0.598 11.734 -7.212 518 HA LYS 63 HA LYS 63 -0.293 12.334 -9.955 519 HB2 LYS 63 HB2 LYS 63 -1.867 13.586 -8.598 520 HB3 LYS 63 HB3 LYS 63 -0.573 14.142 -7.540 521 HG2 LYS 63 HG2 LYS 63 -1.296 15.861 -9.215 522 HG3 LYS 63 HG3 LYS 63 0.412 15.453 -9.337 523 HD2 LYS 63 HD2 LYS 63 0.097 14.182 -11.302 524 HD3 LYS 63 HD3 LYS 63 -1.637 14.009 -11.022 525 HE2 LYS 63 HE2 LYS 63 -1.899 16.463 -11.396 526 HE3 LYS 63 HE3 LYS 63 -0.179 16.559 -11.776 527 HZ1 LYS 63 HZ1 LYS 63 -0.609 15.900 -13.828 528 HZ2 LYS 63 HZ2 LYS 63 -2.272 15.880 -13.480 529 HZ3 LYS 63 HZ3 LYS 63 -1.339 14.477 -13.264 530 H TYR 64 H TYR 64 1.708 12.912 -7.119 531 HA TYR 64 HA TYR 64 3.690 14.501 -8.363 532 HB2 TYR 64 HB2 TYR 64 4.041 14.649 -6.106 533 HB3 TYR 64 HB3 TYR 64 3.291 13.087 -5.809 534 HD1 TYR 64 HD1 TYR 64 6.347 14.235 -7.680 535 HD2 TYR 64 HD2 TYR 64 4.723 11.637 -4.665 536 HE1 TYR 64 HE1 TYR 64 8.590 13.240 -7.325 537 HE2 TYR 64 HE2 TYR 64 6.965 10.653 -4.306 538 HH TYR 64 HH TYR 64 9.142 10.416 -5.885 539 H LEU 65 H LEU 65 3.151 11.043 -8.136 540 HA LEU 65 HA LEU 65 5.705 10.284 -9.202 541 HB2 LEU 65 HB2 LEU 65 3.102 8.861 -8.673 542 HB3 LEU 65 HB3 LEU 65 4.368 8.061 -9.603 543 HG LEU 65 HG LEU 65 5.116 9.364 -6.990 544 HD11 LEU 65 HD11 LEU 65 4.653 7.006 -5.971 545 HD12 LEU 65 HD12 LEU 65 3.525 6.828 -7.311 546 HD13 LEU 65 HD13 LEU 65 3.307 8.132 -6.144 547 HD21 LEU 65 HD21 LEU 65 6.904 7.826 -7.034 548 HD22 LEU 65 HD22 LEU 65 6.691 8.220 -8.738 549 HD23 LEU 65 HD23 LEU 65 6.045 6.710 -8.096 550 H ASP 66 H ASP 66 2.769 11.439 -10.512 551 HA ASP 66 HA ASP 66 2.850 10.254 -13.080 552 HB2 ASP 66 HB2 ASP 66 0.960 11.588 -11.901 553 HB3 ASP 66 HB3 ASP 66 1.764 13.014 -12.547 554 H GLN 67 H GLN 67 4.229 13.246 -11.773 555 HA GLN 67 HA GLN 67 5.154 14.380 -14.155 556 HB2 GLN 67 HB2 GLN 67 6.506 14.506 -11.450 557 HB3 GLN 67 HB3 GLN 67 6.679 15.661 -12.773 558 HG2 GLN 67 HG2 GLN 67 4.273 16.193 -12.625 559 HG3 GLN 67 HG3 GLN 67 4.104 15.049 -11.294 560 HE21 GLN 67 HE21 GLN 67 4.737 15.744 -9.195 561 HE22 GLN 67 HE22 GLN 67 5.362 17.289 -8.876 562 H LYS 68 H LYS 68 6.943 12.301 -11.862 563 HA LYS 68 HA LYS 68 9.157 12.020 -13.705 564 HB2 LYS 68 HB2 LYS 68 10.083 10.509 -11.982 565 HB3 LYS 68 HB3 LYS 68 9.591 12.061 -11.304 566 HG2 LYS 68 HG2 LYS 68 7.345 10.927 -10.771 567 HG3 LYS 68 HG3 LYS 68 8.165 9.405 -11.111 568 HD2 LYS 68 HD2 LYS 68 9.135 11.450 -9.091 569 HD3 LYS 68 HD3 LYS 68 8.192 10.019 -8.680 570 HE2 LYS 68 HE2 LYS 68 10.419 9.327 -8.329 571 HE3 LYS 68 HE3 LYS 68 10.047 8.696 -9.933 572 HZ1 LYS 68 HZ1 LYS 68 12.054 10.505 -9.200 573 HZ2 LYS 68 HZ2 LYS 68 10.964 11.324 -10.212 574 HZ3 LYS 68 HZ3 LYS 68 11.707 9.891 -10.743 575 H SER 69 H SER 69 6.268 10.243 -12.890 576 HA SER 69 HA SER 69 5.435 8.217 -13.628 577 HB2 SER 69 HB2 SER 69 5.513 7.930 -16.000 578 HB3 SER 69 HB3 SER 69 5.476 9.665 -15.697 579 HG SER 69 HG SER 69 7.363 8.166 -16.913 580 HA PRO 70 HA PRO 70 9.325 5.958 -12.431 581 HB2 PRO 70 HB2 PRO 70 7.126 4.038 -11.718 582 HB3 PRO 70 HB3 PRO 70 8.595 4.455 -10.810 583 HG2 PRO 70 HG2 PRO 70 6.246 5.449 -10.094 584 HG3 PRO 70 HG3 PRO 70 7.708 6.452 -10.039 585 HD2 PRO 70 HD2 PRO 70 5.459 6.511 -12.020 586 HD3 PRO 70 HD3 PRO 70 6.455 7.849 -11.408 587 H THR 71 H THR 71 9.763 3.462 -12.892 588 HA THR 71 HA THR 71 9.509 3.145 -15.738 589 HB THR 71 HB THR 71 10.765 0.979 -15.252 590 HG1 THR 71 HG1 THR 71 10.819 0.404 -13.255 591 HG21 THR 71 HG21 THR 71 11.987 2.953 -15.906 592 HG22 THR 71 HG22 THR 71 12.838 2.229 -14.542 593 HG23 THR 71 HG23 THR 71 11.822 3.649 -14.294 594 HA PRO 72 HA PRO 72 5.881 0.578 -15.672 595 HB2 PRO 72 HB2 PRO 72 6.188 -0.871 -17.963 596 HB3 PRO 72 HB3 PRO 72 5.825 0.866 -17.978 597 HG2 PRO 72 HG2 PRO 72 8.456 -0.513 -18.327 598 HG3 PRO 72 HG3 PRO 72 7.768 0.843 -19.243 599 HD2 PRO 72 HD2 PRO 72 9.614 1.206 -17.261 600 HD3 PRO 72 HD3 PRO 72 8.358 2.409 -17.627 601 H LYS 73 H LYS 73 5.612 -1.037 -14.241 602 HA LYS 73 HA LYS 73 5.941 -2.983 -13.058 603 HB2 LYS 73 HB2 LYS 73 6.923 -4.109 -15.682 604 HB3 LYS 73 HB3 LYS 73 6.116 -4.966 -14.368 605 HG2 LYS 73 HG2 LYS 73 4.072 -3.632 -14.757 606 HG3 LYS 73 HG3 LYS 73 4.876 -2.794 -16.085 607 HD2 LYS 73 HD2 LYS 73 5.097 -4.859 -17.334 608 HD3 LYS 73 HD3 LYS 73 4.488 -5.798 -15.972 609 HE2 LYS 73 HE2 LYS 73 2.318 -4.649 -16.134 610 HE3 LYS 73 HE3 LYS 73 2.922 -3.682 -17.479 611 HZ1 LYS 73 HZ1 LYS 73 3.070 -5.549 -18.848 612 HZ2 LYS 73 HZ2 LYS 73 1.586 -5.744 -18.043 613 HZ3 LYS 73 HZ3 LYS 73 2.946 -6.637 -17.552 614 HA PRO 74 HA PRO 74 10.513 -1.826 -12.746 615 HB2 PRO 74 HB2 PRO 74 9.584 -2.281 -9.921 616 HB3 PRO 74 HB3 PRO 74 10.716 -1.065 -10.550 617 HG2 PRO 74 HG2 PRO 74 8.219 -0.401 -9.946 618 HG3 PRO 74 HG3 PRO 74 9.021 0.280 -11.373 619 HD2 PRO 74 HD2 PRO 74 6.884 -1.809 -11.239 620 HD3 PRO 74 HD3 PRO 74 7.208 -0.608 -12.511 621 H1 VAL 208 H1 VAL 208 -6.878 9.117 18.987 622 H2 VAL 208 H2 VAL 208 -6.111 10.539 19.514 623 H3 VAL 208 H3 VAL 208 -5.941 10.025 17.904 624 HA VAL 208 HA VAL 208 -8.563 10.201 17.975 625 HB VAL 208 HB VAL 208 -7.585 12.366 19.859 626 HG11 VAL 208 HG11 VAL 208 -10.308 11.598 18.771 627 HG12 VAL 208 HG12 VAL 208 -9.449 13.117 18.519 628 HG13 VAL 208 HG13 VAL 208 -10.076 12.713 20.117 629 HG21 VAL 208 HG21 VAL 208 -9.211 9.857 20.386 630 HG22 VAL 208 HG22 VAL 208 -8.966 11.157 21.552 631 HG23 VAL 208 HG23 VAL 208 -7.593 10.200 20.997 632 H GLU 209 H GLU 209 -8.227 10.656 15.844 633 HA GLU 209 HA GLU 209 -7.870 13.354 15.053 634 HB2 GLU 209 HB2 GLU 209 -5.739 13.095 13.804 635 HB3 GLU 209 HB3 GLU 209 -5.519 12.963 15.549 636 HG2 GLU 209 HG2 GLU 209 -4.270 11.152 14.700 637 HG3 GLU 209 HG3 GLU 209 -5.791 10.408 15.188 638 H THR 210 H THR 210 -8.437 13.676 12.912 639 HA THR 210 HA THR 210 -9.949 11.615 11.669 640 HB THR 210 HB THR 210 -10.349 13.208 9.911 641 HG1 THR 210 HG1 THR 210 -7.975 14.312 10.911 642 HG21 THR 210 HG21 THR 210 -11.059 15.168 11.219 643 HG22 THR 210 HG22 THR 210 -10.033 14.651 12.557 644 HG23 THR 210 HG23 THR 210 -11.424 13.675 12.084 645 H PHE 211 H PHE 211 -9.597 10.756 9.502 646 HA PHE 211 HA PHE 211 -6.989 9.643 9.213 647 HB2 PHE 211 HB2 PHE 211 -9.504 9.593 7.553 648 HB3 PHE 211 HB3 PHE 211 -8.008 8.905 6.924 649 HD1 PHE 211 HD1 PHE 211 -9.894 8.912 10.182 650 HD2 PHE 211 HD2 PHE 211 -7.749 6.602 7.256 651 HE1 PHE 211 HE1 PHE 211 -10.292 6.857 11.509 652 HE2 PHE 211 HE2 PHE 211 -8.150 4.551 8.588 653 HZ PHE 211 HZ PHE 211 -9.421 4.677 10.713 654 H GLY 212 H GLY 212 -5.866 11.789 9.205 655 HA2 GLY 212 HA2 GLY 212 -4.587 12.398 6.910 656 HA3 GLY 212 HA3 GLY 212 -6.049 13.371 6.775 657 H THR 213 H THR 213 -3.148 14.086 7.154 658 HA THR 213 HA THR 213 -3.491 16.339 8.794 659 HB THR 213 HB THR 213 -3.518 15.018 10.740 660 HG1 THR 213 HG1 THR 213 -1.896 16.683 10.724 661 HG21 THR 213 HG21 THR 213 -2.978 12.855 9.956 662 HG22 THR 213 HG22 THR 213 -1.667 13.252 11.067 663 HG23 THR 213 HG23 THR 213 -1.416 13.379 9.327 664 H THR 214 H THR 214 -0.494 15.003 9.558 665 HA THR 214 HA THR 214 0.845 15.743 7.076 666 HB THR 214 HB THR 214 2.326 17.385 8.242 667 HG1 THR 214 HG1 THR 214 1.030 18.224 10.201 668 HG21 THR 214 HG21 THR 214 0.824 19.215 8.013 669 HG22 THR 214 HG22 THR 214 -0.569 18.226 8.445 670 HG23 THR 214 HG23 THR 214 0.232 17.992 6.891 671 H SER 215 H SER 215 3.162 15.277 7.152 672 HA SER 215 HA SER 215 4.820 13.711 7.493 673 HB2 SER 215 HB2 SER 215 5.666 13.635 9.788 674 HB3 SER 215 HB3 SER 215 5.237 15.286 9.349 675 HG SER 215 HG SER 215 3.934 13.472 11.055 676 H TYS 216 H TYS 216 5.368 11.712 9.090 677 HA TYS 216 HA TYS 216 3.197 10.148 10.018 678 HB2 TYS 216 HB2 TYS 216 2.563 9.937 7.701 679 HB3 TYS 216 HB1 TYS 216 4.213 9.516 7.239 680 HD1 TYS 216 HD1 TYS 216 1.649 8.406 9.759 681 HD2 TYS 216 HD2 TYS 216 4.630 7.244 6.890 682 HE1 TYS 216 HE1 TYS 216 1.160 6.023 10.221 683 HE2 TYS 216 HE2 TYS 216 4.136 4.853 7.361 684 H TYS 217 H TYS 217 6.369 10.878 9.788 685 HA TYS 217 HA TYS 217 7.144 8.480 11.272 686 HB2 TYS 217 HB2 TYS 217 8.253 9.238 8.579 687 HB3 TYS 217 HB1 TYS 217 9.323 8.492 9.764 688 HD1 TYS 217 HD1 TYS 217 8.186 6.404 11.048 689 HD2 TYS 217 HD2 TYS 217 7.146 7.778 7.110 690 HE1 TYS 217 HE1 TYS 217 7.245 4.174 10.517 691 HE2 TYS 217 HE2 TYS 217 6.211 5.542 6.575 692 H ASP 218 H ASP 218 8.168 11.611 9.920 693 HA ASP 218 HA ASP 218 9.569 13.236 10.766 694 HB2 ASP 218 HB2 ASP 218 7.752 13.471 12.375 695 HB3 ASP 218 HB3 ASP 218 8.409 12.156 13.348 696 H ASP 219 H ASP 219 9.930 11.195 13.608 697 HA ASP 219 HA ASP 219 12.765 11.305 13.537 698 HB2 ASP 219 HB2 ASP 219 10.924 9.431 15.024 699 HB3 ASP 219 HB3 ASP 219 12.651 9.601 15.321 700 H VAL 220 H VAL 220 13.172 10.618 11.354 701 HA VAL 220 HA VAL 220 12.481 8.139 10.280 702 HB VAL 220 HB VAL 220 15.149 9.446 9.758 703 HG11 VAL 220 HG11 VAL 220 14.403 7.312 8.600 704 HG12 VAL 220 HG12 VAL 220 14.786 8.652 7.519 705 HG13 VAL 220 HG13 VAL 220 13.104 8.254 7.868 706 HG21 VAL 220 HG21 VAL 220 13.704 11.334 9.808 707 HG22 VAL 220 HG22 VAL 220 12.377 10.441 9.065 708 HG23 VAL 220 HG23 VAL 220 13.790 10.882 8.106 709 H GLY 221 H GLY 221 14.822 8.980 12.702 710 HA2 GLY 221 HA2 GLY 221 16.630 6.875 12.578 711 HA3 GLY 221 HA3 GLY 221 16.120 7.655 14.073 712 H LEU 222 H LEU 222 13.297 6.721 12.979 713 HA LEU 222 HA LEU 222 13.112 4.436 14.690 714 HB2 LEU 222 HB2 LEU 222 11.235 5.911 12.859 715 HB3 LEU 222 HB3 LEU 222 10.746 4.362 13.543 716 HG LEU 222 HG LEU 222 11.847 6.526 15.342 717 HD11 LEU 222 HD11 LEU 222 10.008 7.539 13.994 718 HD12 LEU 222 HD12 LEU 222 9.583 7.376 15.698 719 HD13 LEU 222 HD13 LEU 222 8.941 6.235 14.516 720 HD21 LEU 222 HD21 LEU 222 10.257 5.397 16.949 721 HD22 LEU 222 HD22 LEU 222 11.545 4.346 16.371 722 HD23 LEU 222 HD23 LEU 222 9.922 4.201 15.700 723 H LEU 223 H LEU 223 11.480 2.680 13.384 724 HA LEU 223 HA LEU 223 11.597 0.780 12.102 725 HB2 LEU 223 HB2 LEU 223 11.346 2.760 10.385 726 HB3 LEU 223 HB3 LEU 223 13.008 2.368 9.970 727 HG LEU 223 HG LEU 223 11.552 1.142 8.480 728 HD11 LEU 223 HD11 LEU 223 13.592 0.004 9.522 729 HD12 LEU 223 HD12 LEU 223 12.389 -1.056 8.791 730 HD13 LEU 223 HD13 LEU 223 12.450 -0.874 10.542 731 HD21 LEU 223 HD21 LEU 223 9.645 1.178 10.375 732 HD22 LEU 223 HD22 LEU 223 10.268 -0.443 10.683 733 HD23 LEU 223 HD23 LEU 223 9.652 -0.023 9.088 Start of MODEL 18 1 H1 GLY 1 H1 GLY 1 0.830 -14.723 -11.275 2 H2 GLY 1 H2 GLY 1 -0.281 -15.911 -11.769 3 H3 GLY 1 H3 GLY 1 0.489 -16.038 -10.260 4 HA2 GLY 1 HA2 GLY 1 -0.970 -13.576 -10.650 5 HA3 GLY 1 HA3 GLY 1 -1.968 -15.030 -10.616 6 HA PRO 2 HA PRO 2 0.775 -14.799 -6.473 7 HB2 PRO 2 HB2 PRO 2 0.659 -11.797 -6.408 8 HB3 PRO 2 HB3 PRO 2 1.921 -12.888 -5.797 9 HG2 PRO 2 HG2 PRO 2 2.263 -11.565 -8.072 10 HG3 PRO 2 HG3 PRO 2 2.820 -13.241 -7.901 11 HD2 PRO 2 HD2 PRO 2 0.443 -12.191 -9.393 12 HD3 PRO 2 HD3 PRO 2 1.477 -13.589 -9.762 13 H ALA 3 H ALA 3 -1.684 -12.384 -7.342 14 HA ALA 3 HA ALA 3 -3.677 -11.794 -6.361 15 HB1 ALA 3 HB1 ALA 3 -3.455 -14.705 -5.598 16 HB2 ALA 3 HB2 ALA 3 -4.423 -13.986 -6.886 17 HB3 ALA 3 HB3 ALA 3 -4.870 -13.731 -5.199 18 H SER 4 H SER 4 -4.914 -12.117 -4.063 19 HA SER 4 HA SER 4 -3.154 -10.848 -2.154 20 HB2 SER 4 HB2 SER 4 -5.414 -10.022 -2.333 21 HB3 SER 4 HB3 SER 4 -6.074 -11.628 -2.036 22 HG SER 4 HG SER 4 -4.409 -10.203 -0.229 23 H VAL 5 H VAL 5 -2.553 -13.625 -2.839 24 HA VAL 5 HA VAL 5 -3.350 -15.247 -0.592 25 HB VAL 5 HB VAL 5 -1.273 -15.742 -2.735 26 HG11 VAL 5 HG11 VAL 5 -1.666 -18.148 -1.982 27 HG12 VAL 5 HG12 VAL 5 -2.457 -17.475 -0.556 28 HG13 VAL 5 HG13 VAL 5 -0.753 -17.136 -0.861 29 HG21 VAL 5 HG21 VAL 5 -2.970 -16.989 -3.856 30 HG22 VAL 5 HG22 VAL 5 -3.738 -15.468 -3.397 31 HG23 VAL 5 HG23 VAL 5 -4.042 -16.928 -2.456 32 HA PRO 6 HA PRO 6 1.048 -14.333 0.894 33 HB2 PRO 6 HB2 PRO 6 2.502 -12.335 -0.162 34 HB3 PRO 6 HB3 PRO 6 2.328 -13.889 -1.004 35 HG2 PRO 6 HG2 PRO 6 1.016 -11.279 -1.569 36 HG3 PRO 6 HG3 PRO 6 1.531 -12.549 -2.692 37 HD2 PRO 6 HD2 PRO 6 -1.110 -12.144 -1.699 38 HD3 PRO 6 HD3 PRO 6 -0.536 -13.556 -2.612 39 H THR 7 H THR 7 1.217 -13.378 2.860 40 HA THR 7 HA THR 7 0.789 -11.956 4.615 41 HB THR 7 HB THR 7 1.389 -9.682 4.286 42 HG1 THR 7 HG1 THR 7 -0.135 -9.599 2.391 43 HG21 THR 7 HG21 THR 7 2.814 -11.197 2.087 44 HG22 THR 7 HG22 THR 7 3.165 -11.408 3.802 45 HG23 THR 7 HG23 THR 7 3.440 -9.846 3.032 46 H THR 8 H THR 8 -0.664 -10.020 5.303 47 HA THR 8 HA THR 8 -3.356 -10.759 4.815 48 HB THR 8 HB THR 8 -3.850 -8.595 6.060 49 HG1 THR 8 HG1 THR 8 -2.247 -7.305 6.489 50 HG21 THR 8 HG21 THR 8 -1.852 -10.487 7.328 51 HG22 THR 8 HG22 THR 8 -3.576 -10.812 7.160 52 HG23 THR 8 HG23 THR 8 -3.025 -9.483 8.179 53 H CYS 9 H CYS 9 -5.023 -9.588 3.776 54 HA CYS 9 HA CYS 9 -4.190 -8.327 1.317 55 HB2 CYS 9 HB2 CYS 9 -6.238 -9.890 1.755 56 HB3 CYS 9 HB3 CYS 9 -7.040 -8.410 2.275 57 H CYS 10 H CYS 10 -3.059 -6.607 2.728 58 HA CYS 10 HA CYS 10 -2.937 -4.445 3.488 59 HB2 CYS 10 HB2 CYS 10 -4.363 -4.486 1.083 60 HB3 CYS 10 HB3 CYS 10 -5.346 -3.461 2.122 61 H PHE 11 H PHE 11 -3.350 -4.343 5.629 62 HA PHE 11 HA PHE 11 -5.557 -5.075 7.048 63 HB2 PHE 11 HB2 PHE 11 -3.230 -3.863 7.705 64 HB3 PHE 11 HB3 PHE 11 -4.313 -2.493 7.909 65 HD1 PHE 11 HD2 PHE 11 -6.768 -3.584 8.958 66 HD2 PHE 11 HD1 PHE 11 -2.730 -4.787 9.798 67 HE1 PHE 11 HE2 PHE 11 -7.492 -4.487 11.147 68 HE2 PHE 11 HE1 PHE 11 -3.457 -5.689 11.989 69 HZ PHE 11 HZ PHE 11 -5.837 -5.539 12.665 70 H ASN 12 H ASN 12 -5.018 -1.619 6.329 71 HA ASN 12 HA ASN 12 -7.489 -1.175 5.059 72 HB2 ASN 12 HB2 ASN 12 -8.399 0.227 7.144 73 HB3 ASN 12 HB3 ASN 12 -8.786 -1.477 6.945 74 HD21 ASN 12 HD21 ASN 12 -9.002 -1.500 9.377 75 HD22 ASN 12 HD22 ASN 12 -7.597 -1.639 10.319 76 H LEU 13 H LEU 13 -7.951 1.087 4.755 77 HA LEU 13 HA LEU 13 -5.952 2.629 3.835 78 HB2 LEU 13 HB2 LEU 13 -8.092 4.103 5.333 79 HB3 LEU 13 HB3 LEU 13 -7.455 4.389 3.715 80 HG LEU 13 HG LEU 13 -9.286 2.109 4.545 81 HD11 LEU 13 HD11 LEU 13 -10.909 3.235 3.080 82 HD12 LEU 13 HD12 LEU 13 -9.736 4.511 2.747 83 HD13 LEU 13 HD13 LEU 13 -10.387 4.314 4.375 84 HD21 LEU 13 HD21 LEU 13 -9.323 1.562 2.131 85 HD22 LEU 13 HD22 LEU 13 -7.684 1.432 2.756 86 HD23 LEU 13 HD23 LEU 13 -8.156 2.844 1.815 87 H ALA 14 H ALA 14 -4.396 4.001 4.569 88 HA ALA 14 HA ALA 14 -3.411 3.713 7.187 89 HB1 ALA 14 HB1 ALA 14 -2.185 4.500 5.055 90 HB2 ALA 14 HB2 ALA 14 -1.744 5.263 6.583 91 HB3 ALA 14 HB3 ALA 14 -2.807 6.101 5.453 92 H ASN 15 H ASN 15 -2.986 6.839 7.170 93 HA ASN 15 HA ASN 15 -5.472 7.983 7.870 94 HB2 ASN 15 HB2 ASN 15 -5.013 8.142 10.368 95 HB3 ASN 15 HB3 ASN 15 -5.538 6.566 9.777 96 HD21 ASN 15 HD21 ASN 15 -3.616 7.546 12.077 97 HD22 ASN 15 HD22 ASN 15 -2.266 6.535 11.882 98 H ARG 16 H ARG 16 -2.392 8.222 6.982 99 HA ARG 16 HA ARG 16 -2.284 11.076 7.571 100 HB2 ARG 16 HB2 ARG 16 -0.152 9.156 8.528 101 HB3 ARG 16 HB3 ARG 16 0.064 10.902 8.434 102 HG2 ARG 16 HG2 ARG 16 -2.060 11.079 9.879 103 HG3 ARG 16 HG3 ARG 16 -1.861 9.353 10.178 104 HD2 ARG 16 HD2 ARG 16 0.310 9.708 11.171 105 HD3 ARG 16 HD3 ARG 16 0.311 11.401 10.690 106 HE ARG 16 HE ARG 16 -0.942 10.305 13.014 107 HH11 ARG 16 HH21 ARG 16 -1.221 12.696 10.530 108 HH12 ARG 16 HH22 ARG 16 -2.160 13.786 11.493 109 HH21 ARG 16 HH11 ARG 16 -2.173 11.730 14.285 110 HH22 ARG 16 HH12 ARG 16 -2.699 13.239 13.620 111 H LYS 17 H LYS 17 0.286 11.607 6.786 112 HA LYS 17 HA LYS 17 0.192 10.879 3.925 113 HB2 LYS 17 HB2 LYS 17 0.089 13.240 4.302 114 HB3 LYS 17 HB3 LYS 17 1.447 13.185 5.424 115 HG2 LYS 17 HG2 LYS 17 3.017 12.811 3.709 116 HG3 LYS 17 HG3 LYS 17 1.789 12.259 2.571 117 HD2 LYS 17 HD2 LYS 17 0.875 14.520 2.404 118 HD3 LYS 17 HD3 LYS 17 2.011 15.096 3.624 119 HE2 LYS 17 HE2 LYS 17 3.867 14.247 2.057 120 HE3 LYS 17 HE3 LYS 17 2.610 14.136 0.823 121 HZ1 LYS 17 HZ1 LYS 17 2.288 16.603 2.001 122 HZ2 LYS 17 HZ2 LYS 17 2.928 16.283 0.460 123 HZ3 LYS 17 HZ3 LYS 17 3.963 16.432 1.799 124 H ILE 18 H ILE 18 1.631 9.532 3.110 125 HA ILE 18 HA ILE 18 3.837 8.544 4.679 126 HB ILE 18 HB ILE 18 2.595 7.954 2.017 127 HG12 ILE 18 HG12 ILE 18 2.043 6.873 4.330 128 HG13 ILE 18 HG13 ILE 18 2.171 5.838 2.917 129 HG21 ILE 18 HG21 ILE 18 4.869 7.944 1.301 130 HG22 ILE 18 HG22 ILE 18 4.429 6.259 1.572 131 HG23 ILE 18 HG23 ILE 18 5.401 7.115 2.761 132 HD11 ILE 18 HD11 ILE 18 4.475 6.319 4.818 133 HD12 ILE 18 HD12 ILE 18 4.382 5.113 3.541 134 HD13 ILE 18 HD13 ILE 18 3.359 4.971 4.967 135 HA PRO 19 HA PRO 19 6.679 11.719 3.228 136 HB2 PRO 19 HB2 PRO 19 9.068 10.280 3.367 137 HB3 PRO 19 HB3 PRO 19 8.306 11.106 4.738 138 HG2 PRO 19 HG2 PRO 19 8.172 8.227 3.956 139 HG3 PRO 19 HG3 PRO 19 8.346 8.946 5.565 140 HD2 PRO 19 HD2 PRO 19 6.000 8.001 4.758 141 HD3 PRO 19 HD3 PRO 19 6.073 9.487 5.719 142 H LEU 20 H LEU 20 7.063 12.347 1.188 143 HA LEU 20 HA LEU 20 6.712 10.591 -1.002 144 HB2 LEU 20 HB2 LEU 20 7.404 13.471 -0.651 145 HB3 LEU 20 HB3 LEU 20 7.765 12.749 -2.218 146 HG LEU 20 HG LEU 20 5.424 11.970 -2.395 147 HD11 LEU 20 HD11 LEU 20 4.911 11.713 -0.026 148 HD12 LEU 20 HD12 LEU 20 3.769 12.844 -0.750 149 HD13 LEU 20 HD13 LEU 20 5.105 13.446 0.233 150 HD21 LEU 20 HD21 LEU 20 5.439 14.912 -1.691 151 HD22 LEU 20 HD22 LEU 20 4.468 14.093 -2.915 152 HD23 LEU 20 HD23 LEU 20 6.205 14.291 -3.153 153 H GLN 21 H GLN 21 9.535 11.562 0.767 154 HA GLN 21 HA GLN 21 11.483 11.055 -1.229 155 HB2 GLN 21 HB2 GLN 21 13.021 10.797 0.808 156 HB3 GLN 21 HB3 GLN 21 12.191 12.341 0.615 157 HG2 GLN 21 HG2 GLN 21 10.520 11.729 2.242 158 HG3 GLN 21 HG3 GLN 21 11.130 10.076 2.316 159 HE21 GLN 21 HE21 GLN 21 12.678 13.338 2.546 160 HE22 GLN 21 HE22 GLN 21 13.536 12.980 3.967 161 H ARG 22 H ARG 22 9.993 8.948 1.207 162 HA ARG 22 HA ARG 22 11.706 6.702 0.463 163 HB2 ARG 22 HB2 ARG 22 9.415 6.970 2.424 164 HB3 ARG 22 HB3 ARG 22 10.349 5.495 2.186 165 HG2 ARG 22 HG2 ARG 22 12.183 6.305 3.314 166 HG3 ARG 22 HG3 ARG 22 12.007 7.926 2.649 167 HD2 ARG 22 HD2 ARG 22 10.487 8.582 4.302 168 HD3 ARG 22 HD3 ARG 22 10.028 6.926 4.686 169 HE ARG 22 HE ARG 22 12.795 7.441 5.264 170 HH11 ARG 22 HH21 ARG 22 9.537 7.835 6.363 171 HH12 ARG 22 HH22 ARG 22 9.965 7.909 8.040 172 HH21 ARG 22 HH11 ARG 22 13.364 7.537 7.460 173 HH22 ARG 22 HH12 ARG 22 12.132 7.739 8.661 174 H LEU 23 H LEU 23 8.754 8.033 -0.530 175 HA LEU 23 HA LEU 23 7.388 5.651 -1.322 176 HB2 LEU 23 HB2 LEU 23 6.085 7.585 -0.916 177 HB3 LEU 23 HB3 LEU 23 7.120 8.584 -1.910 178 HG LEU 23 HG LEU 23 4.869 8.043 -2.886 179 HD11 LEU 23 HD11 LEU 23 7.299 8.348 -4.173 180 HD12 LEU 23 HD12 LEU 23 5.725 8.370 -4.939 181 HD13 LEU 23 HD13 LEU 23 6.660 6.879 -4.907 182 HD21 LEU 23 HD21 LEU 23 5.830 5.338 -3.703 183 HD22 LEU 23 HD22 LEU 23 4.205 5.925 -3.430 184 HD23 LEU 23 HD23 LEU 23 5.219 5.511 -2.060 185 H GLU 24 H GLU 24 7.512 4.508 -3.177 186 HA GLU 24 HA GLU 24 9.416 5.415 -5.266 187 HB2 GLU 24 HB2 GLU 24 10.172 3.379 -4.229 188 HB3 GLU 24 HB3 GLU 24 8.578 2.645 -4.389 189 HG2 GLU 24 HG2 GLU 24 8.766 2.470 -6.745 190 HG3 GLU 24 HG3 GLU 24 10.122 3.597 -6.802 191 H SER 25 H SER 25 6.479 3.365 -4.944 192 HA SER 25 HA SER 25 5.206 4.771 -7.147 193 HB2 SER 25 HB2 SER 25 6.316 3.307 -8.583 194 HB3 SER 25 HB3 SER 25 6.289 1.990 -7.416 195 HG SER 25 HG SER 25 4.680 2.212 -9.356 196 H TYR 26 H TYR 26 3.037 3.575 -7.695 197 HA TYR 26 HA TYR 26 1.839 2.610 -5.159 198 HB2 TYR 26 HB2 TYR 26 -0.164 3.810 -5.620 199 HB3 TYR 26 HB3 TYR 26 1.159 4.951 -5.829 200 HD1 TYR 26 HD2 TYR 26 1.983 5.479 -8.160 201 HD2 TYR 26 HD1 TYR 26 -1.597 3.219 -7.436 202 HE1 TYR 26 HE2 TYR 26 1.247 5.918 -10.479 203 HE2 TYR 26 HE1 TYR 26 -2.334 3.648 -9.764 204 HH TYR 26 HH TYR 26 -1.296 4.218 -11.947 205 H ARG 27 H ARG 27 -0.192 1.377 -5.478 206 HA ARG 27 HA ARG 27 -0.543 0.030 -8.037 207 HB2 ARG 27 HB2 ARG 27 1.301 -1.195 -6.721 208 HB3 ARG 27 HB3 ARG 27 0.023 -1.653 -5.595 209 HG2 ARG 27 HG2 ARG 27 -1.191 -2.361 -7.918 210 HG3 ARG 27 HG3 ARG 27 0.487 -2.556 -8.414 211 HD2 ARG 27 HD2 ARG 27 -0.878 -3.880 -6.057 212 HD3 ARG 27 HD3 ARG 27 -0.318 -4.666 -7.531 213 HE ARG 27 HE ARG 27 1.863 -3.346 -6.304 214 HH11 ARG 27 HH21 ARG 27 -0.300 -6.013 -5.872 215 HH12 ARG 27 HH22 ARG 27 0.833 -6.965 -4.973 216 HH21 ARG 27 HH11 ARG 27 3.354 -4.589 -5.125 217 HH22 ARG 27 HH12 ARG 27 2.901 -6.159 -4.549 218 H ARG 28 H ARG 28 -2.565 -1.059 -8.171 219 HA ARG 28 HA ARG 28 -4.465 -0.263 -6.053 220 HB2 ARG 28 HB2 ARG 28 -4.629 0.252 -8.681 221 HB3 ARG 28 HB3 ARG 28 -5.405 -1.329 -8.688 222 HG2 ARG 28 HG2 ARG 28 -6.861 -0.441 -6.763 223 HG3 ARG 28 HG3 ARG 28 -6.241 1.157 -7.181 224 HD2 ARG 28 HD2 ARG 28 -7.756 -0.727 -9.009 225 HD3 ARG 28 HD3 ARG 28 -8.348 0.794 -8.347 226 HE ARG 28 HE ARG 28 -6.641 0.482 -10.634 227 HH11 ARG 28 HH21 ARG 28 -7.434 2.497 -7.934 228 HH12 ARG 28 HH22 ARG 28 -6.892 3.958 -8.689 229 HH21 ARG 28 HH11 ARG 28 -5.928 2.395 -11.630 230 HH22 ARG 28 HH12 ARG 28 -6.040 3.901 -10.782 231 H ILE 29 H ILE 29 -5.923 -1.679 -5.160 232 HA ILE 29 HA ILE 29 -5.267 -4.551 -5.461 233 HB ILE 29 HB ILE 29 -6.840 -4.253 -3.129 234 HG12 ILE 29 HG12 ILE 29 -4.734 -2.070 -3.229 235 HG13 ILE 29 HG13 ILE 29 -6.469 -1.789 -3.360 236 HG21 ILE 29 HG21 ILE 29 -3.837 -4.446 -3.485 237 HG22 ILE 29 HG22 ILE 29 -4.972 -5.781 -3.309 238 HG23 ILE 29 HG23 ILE 29 -4.672 -4.698 -1.953 239 HD11 ILE 29 HD11 ILE 29 -5.452 -1.493 -1.028 240 HD12 ILE 29 HD12 ILE 29 -5.258 -3.246 -1.001 241 HD13 ILE 29 HD13 ILE 29 -6.867 -2.541 -1.137 242 H THR 30 H THR 30 -6.676 -5.642 -6.653 243 HA THR 30 HA THR 30 -9.558 -5.183 -6.294 244 HB THR 30 HB THR 30 -10.026 -4.760 -8.544 245 HG1 THR 30 HG1 THR 30 -7.693 -5.022 -9.776 246 HG21 THR 30 HG21 THR 30 -8.797 -2.868 -7.462 247 HG22 THR 30 HG22 THR 30 -8.601 -2.909 -9.214 248 HG23 THR 30 HG23 THR 30 -7.303 -3.485 -8.167 249 H SER 31 H SER 31 -8.101 -7.300 -5.303 250 HA SER 31 HA SER 31 -9.473 -9.524 -6.404 251 HB2 SER 31 HB2 SER 31 -7.904 -9.492 -8.203 252 HB3 SER 31 HB3 SER 31 -6.550 -9.229 -7.106 253 HG SER 31 HG SER 31 -8.204 -11.531 -7.301 254 H GLY 32 H GLY 32 -9.901 -9.371 -4.063 255 HA2 GLY 32 HA2 GLY 32 -8.855 -11.372 -2.554 256 HA3 GLY 32 HA3 GLY 32 -7.778 -10.021 -2.215 257 H LYS 33 H LYS 33 -8.875 -10.727 -0.028 258 HA LYS 33 HA LYS 33 -11.529 -9.731 0.444 259 HB2 LYS 33 HB2 LYS 33 -9.330 -10.504 2.377 260 HB3 LYS 33 HB3 LYS 33 -11.004 -10.171 2.821 261 HG2 LYS 33 HG2 LYS 33 -11.644 -11.987 1.114 262 HG3 LYS 33 HG3 LYS 33 -9.939 -12.439 1.131 263 HD2 LYS 33 HD2 LYS 33 -11.826 -12.391 3.503 264 HD3 LYS 33 HD3 LYS 33 -11.112 -13.816 2.751 265 HE2 LYS 33 HE2 LYS 33 -9.737 -13.438 4.630 266 HE3 LYS 33 HE3 LYS 33 -8.829 -12.710 3.306 267 HZ1 LYS 33 HZ1 LYS 33 -9.063 -10.689 4.176 268 HZ2 LYS 33 HZ2 LYS 33 -9.554 -11.464 5.607 269 HZ3 LYS 33 HZ3 LYS 33 -10.714 -10.908 4.497 270 H CYS 34 H CYS 34 -8.856 -8.090 -0.313 271 HA CYS 34 HA CYS 34 -8.417 -6.156 1.613 272 HB2 CYS 34 HB2 CYS 34 -8.307 -6.097 -1.393 273 HB3 CYS 34 HB3 CYS 34 -7.949 -4.647 -0.454 274 HA PRO 35 HA PRO 35 -12.220 -3.861 1.719 275 HB2 PRO 35 HB2 PRO 35 -11.377 -1.415 2.565 276 HB3 PRO 35 HB3 PRO 35 -11.346 -2.843 3.619 277 HG2 PRO 35 HG2 PRO 35 -9.116 -1.604 2.057 278 HG3 PRO 35 HG3 PRO 35 -9.122 -2.198 3.729 279 HD2 PRO 35 HD2 PRO 35 -8.120 -3.671 1.655 280 HD3 PRO 35 HD3 PRO 35 -8.866 -4.416 3.086 281 H GLN 36 H GLN 36 -13.273 -3.339 -0.099 282 HA GLN 36 HA GLN 36 -13.588 -2.622 -2.283 283 HB2 GLN 36 HB2 GLN 36 -13.864 -0.164 -2.346 284 HB3 GLN 36 HB3 GLN 36 -14.608 -0.888 -0.927 285 HG2 GLN 36 HG2 GLN 36 -11.787 0.175 -0.787 286 HG3 GLN 36 HG3 GLN 36 -13.158 1.264 -0.628 287 HE21 GLN 36 HE21 GLN 36 -12.068 1.449 1.657 288 HE22 GLN 36 HE22 GLN 36 -12.620 0.357 2.834 289 H LYS 37 H LYS 37 -12.593 -0.287 -3.563 290 HA LYS 37 HA LYS 37 -9.986 -1.313 -4.430 291 HB2 LYS 37 HB2 LYS 37 -11.450 1.022 -5.651 292 HB3 LYS 37 HB3 LYS 37 -10.322 -0.101 -6.413 293 HG2 LYS 37 HG2 LYS 37 -13.128 -0.729 -5.451 294 HG3 LYS 37 HG3 LYS 37 -12.579 -0.661 -7.126 295 HD2 LYS 37 HD2 LYS 37 -10.904 -2.489 -6.506 296 HD3 LYS 37 HD3 LYS 37 -11.811 -2.673 -5.005 297 HE2 LYS 37 HE2 LYS 37 -13.855 -3.150 -6.268 298 HE3 LYS 37 HE3 LYS 37 -12.998 -2.896 -7.787 299 HZ1 LYS 37 HZ1 LYS 37 -11.650 -4.773 -7.397 300 HZ2 LYS 37 HZ2 LYS 37 -13.239 -5.267 -7.058 301 HZ3 LYS 37 HZ3 LYS 37 -12.165 -4.918 -5.788 302 H ALA 38 H ALA 38 -8.081 -0.246 -4.138 303 HA ALA 38 HA ALA 38 -7.974 2.539 -3.425 304 HB1 ALA 38 HB1 ALA 38 -8.492 1.992 -1.224 305 HB2 ALA 38 HB2 ALA 38 -6.734 1.871 -1.190 306 HB3 ALA 38 HB3 ALA 38 -7.715 0.413 -1.330 307 H VAL 39 H VAL 39 -5.863 3.389 -3.515 308 HA VAL 39 HA VAL 39 -3.994 1.755 -5.007 309 HB VAL 39 HB VAL 39 -2.719 3.751 -5.302 310 HG11 VAL 39 HG11 VAL 39 -4.314 5.105 -6.405 311 HG12 VAL 39 HG12 VAL 39 -5.582 4.713 -5.246 312 HG13 VAL 39 HG13 VAL 39 -5.040 3.502 -6.408 313 HG21 VAL 39 HG21 VAL 39 -4.399 4.816 -3.019 314 HG22 VAL 39 HG22 VAL 39 -3.447 5.861 -4.075 315 HG23 VAL 39 HG23 VAL 39 -2.643 4.648 -3.080 316 H ILE 40 H ILE 40 -1.747 1.468 -4.351 317 HA ILE 40 HA ILE 40 -1.382 1.400 -1.404 318 HB ILE 40 HB ILE 40 -0.702 -0.716 -3.458 319 HG12 ILE 40 HG12 ILE 40 -2.392 -0.880 -0.948 320 HG13 ILE 40 HG13 ILE 40 -3.058 -0.582 -2.554 321 HG21 ILE 40 HG21 ILE 40 0.136 -0.412 -0.567 322 HG22 ILE 40 HG22 ILE 40 1.165 -0.679 -1.973 323 HG23 ILE 40 HG23 ILE 40 0.125 -1.973 -1.383 324 HD11 ILE 40 HD11 ILE 40 -1.315 -2.973 -1.923 325 HD12 ILE 40 HD12 ILE 40 -2.295 -2.700 -3.364 326 HD13 ILE 40 HD13 ILE 40 -3.073 -3.008 -1.811 327 H PHE 41 H PHE 41 0.084 3.035 -1.119 328 HA PHE 41 HA PHE 41 2.282 3.430 -2.965 329 HB2 PHE 41 HB2 PHE 41 1.850 4.621 -0.214 330 HB3 PHE 41 HB3 PHE 41 2.990 5.189 -1.435 331 HD1 PHE 41 HD2 PHE 41 1.956 5.777 -3.791 332 HD2 PHE 41 HD1 PHE 41 -0.301 5.526 -0.153 333 HE1 PHE 41 HE2 PHE 41 0.183 7.183 -4.799 334 HE2 PHE 41 HE1 PHE 41 -2.063 6.928 -1.152 335 HZ PHE 41 HZ PHE 41 -1.830 7.759 -3.481 336 H LYS 42 H LYS 42 4.043 2.194 -2.953 337 HA LYS 42 HA LYS 42 4.723 0.667 -0.518 338 HB2 LYS 42 HB2 LYS 42 5.946 -0.809 -1.956 339 HB3 LYS 42 HB3 LYS 42 4.375 -0.524 -2.703 340 HG2 LYS 42 HG2 LYS 42 5.591 1.409 -3.974 341 HG3 LYS 42 HG3 LYS 42 7.069 0.572 -3.502 342 HD2 LYS 42 HD2 LYS 42 4.785 -0.537 -5.156 343 HD3 LYS 42 HD3 LYS 42 6.443 -0.248 -5.683 344 HE2 LYS 42 HE2 LYS 42 7.158 -1.902 -3.869 345 HE3 LYS 42 HE3 LYS 42 5.453 -2.335 -3.731 346 HZ1 LYS 42 HZ1 LYS 42 5.413 -2.966 -6.021 347 HZ2 LYS 42 HZ2 LYS 42 6.718 -3.761 -5.280 348 HZ3 LYS 42 HZ3 LYS 42 6.996 -2.407 -6.266 349 H THR 43 H THR 43 6.539 1.000 0.584 350 HA THR 43 HA THR 43 8.704 2.618 -0.581 351 HB THR 43 HB THR 43 7.911 4.416 0.599 352 HG1 THR 43 HG1 THR 43 9.771 3.691 1.751 353 HG21 THR 43 HG21 THR 43 5.763 3.597 1.171 354 HG22 THR 43 HG22 THR 43 6.483 4.083 2.707 355 HG23 THR 43 HG23 THR 43 6.430 2.377 2.259 356 H LYS 44 H LYS 44 10.713 2.413 0.596 357 HA LYS 44 HA LYS 44 11.204 -0.277 1.399 358 HB2 LYS 44 HB2 LYS 44 12.954 2.184 1.609 359 HB3 LYS 44 HB3 LYS 44 13.501 0.523 1.839 360 HG2 LYS 44 HG2 LYS 44 12.820 -0.034 -0.460 361 HG3 LYS 44 HG3 LYS 44 12.245 1.617 -0.696 362 HD2 LYS 44 HD2 LYS 44 14.555 2.446 -0.227 363 HD3 LYS 44 HD3 LYS 44 15.102 0.771 -0.134 364 HE2 LYS 44 HE2 LYS 44 13.806 2.074 -2.547 365 HE3 LYS 44 HE3 LYS 44 15.520 1.697 -2.379 366 HZ1 LYS 44 HZ1 LYS 44 13.334 -0.026 -3.052 367 HZ2 LYS 44 HZ2 LYS 44 14.274 -0.645 -1.779 368 HZ3 LYS 44 HZ3 LYS 44 15.000 -0.260 -3.266 369 H LEU 45 H LEU 45 9.221 0.888 3.085 370 HA LEU 45 HA LEU 45 10.493 1.542 5.605 371 HB2 LEU 45 HB2 LEU 45 7.798 1.663 4.479 372 HB3 LEU 45 HB3 LEU 45 7.763 0.981 6.097 373 HG LEU 45 HG LEU 45 7.469 3.383 6.235 374 HD11 LEU 45 HD11 LEU 45 8.869 3.733 8.006 375 HD12 LEU 45 HD12 LEU 45 10.310 3.230 7.133 376 HD13 LEU 45 HD13 LEU 45 9.206 2.019 7.787 377 HD21 LEU 45 HD21 LEU 45 8.358 4.371 4.342 378 HD22 LEU 45 HD22 LEU 45 9.847 3.430 4.400 379 HD23 LEU 45 HD23 LEU 45 9.611 4.777 5.510 380 H ALA 46 H ALA 46 7.894 -0.833 5.189 381 HA ALA 46 HA ALA 46 9.500 -3.099 5.832 382 HB1 ALA 46 HB1 ALA 46 9.422 -1.788 8.026 383 HB2 ALA 46 HB2 ALA 46 8.926 -3.479 8.097 384 HB3 ALA 46 HB3 ALA 46 7.709 -2.203 8.085 385 H LYS 47 H LYS 47 6.559 -1.587 5.051 386 HA LYS 47 HA LYS 47 5.419 -4.097 4.211 387 HB2 LYS 47 HB2 LYS 47 3.491 -4.149 5.590 388 HB3 LYS 47 HB3 LYS 47 4.849 -3.915 6.686 389 HG2 LYS 47 HG2 LYS 47 2.895 -1.813 5.708 390 HG3 LYS 47 HG3 LYS 47 3.118 -2.384 7.359 391 HD2 LYS 47 HD2 LYS 47 5.539 -1.548 7.153 392 HD3 LYS 47 HD3 LYS 47 4.999 -0.693 5.707 393 HE2 LYS 47 HE2 LYS 47 4.247 -0.230 8.575 394 HE3 LYS 47 HE3 LYS 47 4.627 0.946 7.317 395 HZ1 LYS 47 HZ1 LYS 47 2.402 1.186 7.314 396 HZ2 LYS 47 HZ2 LYS 47 2.107 -0.367 7.936 397 HZ3 LYS 47 HZ3 LYS 47 2.454 -0.161 6.287 398 H ASP 48 H ASP 48 3.033 -3.645 3.447 399 HA ASP 48 HA ASP 48 3.215 -1.388 1.603 400 HB2 ASP 48 HB2 ASP 48 1.061 -2.420 0.715 401 HB3 ASP 48 HB3 ASP 48 2.510 -3.416 0.590 402 H ILE 49 H ILE 49 1.739 0.291 1.476 403 HA ILE 49 HA ILE 49 0.101 0.755 3.906 404 HB ILE 49 HB ILE 49 0.945 2.839 1.892 405 HG12 ILE 49 HG12 ILE 49 2.995 1.737 2.652 406 HG13 ILE 49 HG13 ILE 49 2.864 3.331 3.386 407 HG21 ILE 49 HG21 ILE 49 0.138 2.913 4.812 408 HG22 ILE 49 HG22 ILE 49 -0.804 3.500 3.441 409 HG23 ILE 49 HG23 ILE 49 0.695 4.311 3.894 410 HD11 ILE 49 HD11 ILE 49 3.534 1.824 5.131 411 HD12 ILE 49 HD12 ILE 49 2.297 0.654 4.682 412 HD13 ILE 49 HD13 ILE 49 1.834 2.186 5.419 413 H CYS 50 H CYS 50 -2.069 1.008 3.726 414 HA CYS 50 HA CYS 50 -3.264 0.793 1.025 415 HB2 CYS 50 HB2 CYS 50 -4.852 0.574 3.566 416 HB3 CYS 50 HB3 CYS 50 -5.094 -0.239 2.021 417 H ALA 51 H ALA 51 -4.782 2.296 0.289 418 HA ALA 51 HA ALA 51 -5.851 4.380 1.904 419 HB1 ALA 51 HB1 ALA 51 -3.283 4.922 1.508 420 HB2 ALA 51 HB2 ALA 51 -4.497 6.198 1.455 421 HB3 ALA 51 HB3 ALA 51 -3.873 5.510 -0.047 422 H ASP 52 H ASP 52 -7.590 5.258 0.916 423 HA ASP 52 HA ASP 52 -8.221 4.365 -1.783 424 HB2 ASP 52 HB2 ASP 52 -9.751 5.658 0.458 425 HB3 ASP 52 HB3 ASP 52 -10.422 5.663 -1.169 426 HA PRO 53 HA PRO 53 -7.170 8.269 -3.692 427 HB2 PRO 53 HB2 PRO 53 -8.736 8.166 -5.931 428 HB3 PRO 53 HB3 PRO 53 -7.288 7.161 -5.724 429 HG2 PRO 53 HG2 PRO 53 -10.160 6.440 -5.310 430 HG3 PRO 53 HG3 PRO 53 -8.867 5.511 -6.095 431 HD2 PRO 53 HD2 PRO 53 -9.661 5.014 -3.533 432 HD3 PRO 53 HD3 PRO 53 -7.986 4.769 -4.078 433 H LYS 54 H LYS 54 -8.368 9.178 -1.722 434 HA LYS 54 HA LYS 54 -10.404 11.031 -2.693 435 HB2 LYS 54 HB2 LYS 54 -10.896 9.199 -0.328 436 HB3 LYS 54 HB3 LYS 54 -11.931 10.543 -0.814 437 HG2 LYS 54 HG2 LYS 54 -12.110 9.409 -3.094 438 HG3 LYS 54 HG3 LYS 54 -11.364 7.997 -2.345 439 HD2 LYS 54 HD2 LYS 54 -13.177 8.002 -0.626 440 HD3 LYS 54 HD3 LYS 54 -13.950 9.330 -1.492 441 HE2 LYS 54 HE2 LYS 54 -14.351 7.978 -3.414 442 HE3 LYS 54 HE3 LYS 54 -13.265 6.713 -2.840 443 HZ1 LYS 54 HZ1 LYS 54 -15.148 7.106 -0.849 444 HZ2 LYS 54 HZ2 LYS 54 -15.003 5.766 -1.883 445 HZ3 LYS 54 HZ3 LYS 54 -16.016 7.063 -2.306 446 H LYS 55 H LYS 55 -8.263 9.901 -0.134 447 HA LYS 55 HA LYS 55 -8.430 12.376 1.347 448 HB2 LYS 55 HB2 LYS 55 -6.084 10.649 1.877 449 HB3 LYS 55 HB3 LYS 55 -7.295 11.273 2.990 450 HG2 LYS 55 HG2 LYS 55 -8.878 9.505 1.795 451 HG3 LYS 55 HG3 LYS 55 -7.351 8.750 1.345 452 HD2 LYS 55 HD2 LYS 55 -8.276 9.395 4.160 453 HD3 LYS 55 HD3 LYS 55 -8.164 7.790 3.440 454 HE2 LYS 55 HE2 LYS 55 -6.170 7.947 4.667 455 HE3 LYS 55 HE3 LYS 55 -5.658 8.402 3.042 456 HZ1 LYS 55 HZ1 LYS 55 -5.230 9.874 5.248 457 HZ2 LYS 55 HZ2 LYS 55 -6.649 10.589 4.648 458 HZ3 LYS 55 HZ3 LYS 55 -5.261 10.498 3.672 459 H LYS 56 H LYS 56 -6.892 14.007 1.428 460 HA LYS 56 HA LYS 56 -5.810 14.875 -0.933 461 HB2 LYS 56 HB2 LYS 56 -6.163 16.164 1.229 462 HB3 LYS 56 HB3 LYS 56 -4.585 15.558 1.734 463 HG2 LYS 56 HG2 LYS 56 -3.709 16.472 -0.512 464 HG3 LYS 56 HG3 LYS 56 -5.235 17.350 -0.611 465 HD2 LYS 56 HD2 LYS 56 -3.218 17.541 1.648 466 HD3 LYS 56 HD3 LYS 56 -3.506 18.764 0.411 467 HE2 LYS 56 HE2 LYS 56 -4.783 19.528 2.238 468 HE3 LYS 56 HE3 LYS 56 -5.973 18.706 1.229 469 HZ1 LYS 56 HZ1 LYS 56 -6.364 17.261 2.842 470 HZ2 LYS 56 HZ2 LYS 56 -5.360 18.170 3.867 471 HZ3 LYS 56 HZ3 LYS 56 -4.720 16.870 2.981 472 H TRP 57 H TRP 57 -3.796 13.448 1.702 473 HA TRP 57 HA TRP 57 -1.417 13.557 0.248 474 HB2 TRP 57 HB2 TRP 57 -0.435 12.196 1.886 475 HB3 TRP 57 HB3 TRP 57 -1.702 13.069 2.732 476 HD1 TRP 57 HD1 TRP 57 -3.875 11.712 3.448 477 HE1 TRP 57 HE1 TRP 57 -4.261 9.193 3.827 478 HE3 TRP 57 HE3 TRP 57 0.223 9.800 1.050 479 HZ2 TRP 57 HZ2 TRP 57 -3.014 6.706 3.200 480 HZ3 TRP 57 HZ3 TRP 57 0.593 7.353 0.961 481 HH2 TRP 57 HH2 TRP 57 -1.021 5.804 2.037 482 H VAL 58 H VAL 58 -4.053 11.358 -0.140 483 HA VAL 58 HA VAL 58 -2.497 9.278 -1.381 484 HB VAL 58 HB VAL 58 -5.470 9.838 -1.406 485 HG11 VAL 58 HG11 VAL 58 -5.611 7.444 -2.172 486 HG12 VAL 58 HG12 VAL 58 -3.875 7.474 -2.426 487 HG13 VAL 58 HG13 VAL 58 -4.913 8.525 -3.375 488 HG21 VAL 58 HG21 VAL 58 -4.575 9.287 0.798 489 HG22 VAL 58 HG22 VAL 58 -3.715 7.910 0.131 490 HG23 VAL 58 HG23 VAL 58 -5.477 7.905 0.177 491 H GLN 59 H GLN 59 -4.793 11.706 -2.661 492 HA GLN 59 HA GLN 59 -4.251 11.118 -5.374 493 HB2 GLN 59 HB2 GLN 59 -5.130 13.876 -4.609 494 HB3 GLN 59 HB3 GLN 59 -5.728 12.816 -5.885 495 HG2 GLN 59 HG2 GLN 59 -6.529 11.325 -3.841 496 HG3 GLN 59 HG3 GLN 59 -6.412 12.840 -2.959 497 HE21 GLN 59 HE21 GLN 59 -7.558 14.772 -4.197 498 HE22 GLN 59 HE22 GLN 59 -9.058 14.395 -4.897 499 H ASP 60 H ASP 60 -2.751 13.298 -3.071 500 HA ASP 60 HA ASP 60 -1.226 14.777 -4.976 501 HB2 ASP 60 HB2 ASP 60 -1.805 15.421 -2.558 502 HB3 ASP 60 HB3 ASP 60 -0.473 14.370 -2.086 503 H SER 61 H SER 61 -0.691 11.771 -3.236 504 HA SER 61 HA SER 61 2.118 11.628 -3.671 505 HB2 SER 61 HB2 SER 61 1.422 10.195 -1.985 506 HB3 SER 61 HB3 SER 61 -0.013 9.683 -2.870 507 HG SER 61 HG SER 61 2.332 8.490 -2.751 508 H MET 62 H MET 62 -0.609 10.035 -5.383 509 HA MET 62 HA MET 62 1.049 8.805 -7.329 510 HB2 MET 62 HB2 MET 62 -1.165 8.701 -8.657 511 HB3 MET 62 HB3 MET 62 -1.088 7.853 -7.113 512 HG2 MET 62 HG2 MET 62 -2.361 9.489 -6.011 513 HG3 MET 62 HG3 MET 62 -2.064 10.701 -7.249 514 HE1 MET 62 HE1 MET 62 -4.950 7.171 -7.279 515 HE2 MET 62 HE2 MET 62 -4.569 8.175 -5.881 516 HE3 MET 62 HE3 MET 62 -3.307 7.191 -6.621 517 H LYS 63 H LYS 63 -0.650 11.907 -7.239 518 HA LYS 63 HA LYS 63 -0.269 12.672 -9.910 519 HB2 LYS 63 HB2 LYS 63 -1.752 13.937 -8.481 520 HB3 LYS 63 HB3 LYS 63 -0.436 14.324 -7.376 521 HG2 LYS 63 HG2 LYS 63 -1.034 16.203 -8.932 522 HG3 LYS 63 HG3 LYS 63 0.650 15.703 -9.056 523 HD2 LYS 63 HD2 LYS 63 0.290 14.585 -11.109 524 HD3 LYS 63 HD3 LYS 63 -1.456 14.523 -10.872 525 HE2 LYS 63 HE2 LYS 63 0.177 17.031 -11.363 526 HE3 LYS 63 HE3 LYS 63 -0.864 16.233 -12.542 527 HZ1 LYS 63 HZ1 LYS 63 -1.587 17.803 -10.183 528 HZ2 LYS 63 HZ2 LYS 63 -2.604 16.514 -10.617 529 HZ3 LYS 63 HZ3 LYS 63 -2.301 17.770 -11.721 530 H TYR 64 H TYR 64 1.753 13.188 -7.041 531 HA TYR 64 HA TYR 64 3.813 14.632 -8.307 532 HB2 TYR 64 HB2 TYR 64 4.176 14.817 -6.060 533 HB3 TYR 64 HB3 TYR 64 3.332 13.312 -5.727 534 HD1 TYR 64 HD2 TYR 64 6.483 14.286 -7.538 535 HD2 TYR 64 HD1 TYR 64 4.647 11.752 -4.594 536 HE1 TYR 64 HE2 TYR 64 8.661 13.173 -7.132 537 HE2 TYR 64 HE1 TYR 64 6.825 10.644 -4.188 538 HH TYR 64 HH TYR 64 9.779 11.734 -5.848 539 H LEU 65 H LEU 65 3.101 11.218 -8.114 540 HA LEU 65 HA LEU 65 5.659 10.350 -9.081 541 HB2 LEU 65 HB2 LEU 65 3.002 9.029 -8.592 542 HB3 LEU 65 HB3 LEU 65 4.230 8.177 -9.522 543 HG LEU 65 HG LEU 65 5.014 9.444 -6.902 544 HD11 LEU 65 HD11 LEU 65 3.453 8.225 -5.801 545 HD12 LEU 65 HD12 LEU 65 4.481 6.840 -6.151 546 HD13 LEU 65 HD13 LEU 65 3.109 7.202 -7.188 547 HD21 LEU 65 HD21 LEU 65 6.795 7.916 -6.977 548 HD22 LEU 65 HD22 LEU 65 6.558 8.272 -8.681 549 HD23 LEU 65 HD23 LEU 65 5.916 6.787 -8.000 550 H ASP 66 H ASP 66 2.838 11.618 -10.536 551 HA ASP 66 HA ASP 66 3.088 10.365 -13.091 552 HB2 ASP 66 HB2 ASP 66 1.049 11.550 -12.049 553 HB3 ASP 66 HB3 ASP 66 1.799 13.045 -12.603 554 H GLN 67 H GLN 67 4.412 13.269 -11.634 555 HA GLN 67 HA GLN 67 5.286 14.593 -13.947 556 HB2 GLN 67 HB2 GLN 67 6.905 14.653 -11.413 557 HB3 GLN 67 HB3 GLN 67 6.507 15.973 -12.516 558 HG2 GLN 67 HG2 GLN 67 4.067 15.611 -11.812 559 HG3 GLN 67 HG3 GLN 67 4.707 14.613 -10.511 560 HE21 GLN 67 HE21 GLN 67 3.794 16.292 -9.017 561 HE22 GLN 67 HE22 GLN 67 4.675 17.719 -8.746 562 H LYS 68 H LYS 68 7.118 12.390 -11.812 563 HA LYS 68 HA LYS 68 9.324 12.260 -13.688 564 HB2 LYS 68 HB2 LYS 68 10.243 10.609 -12.044 565 HB3 LYS 68 HB3 LYS 68 9.840 12.168 -11.326 566 HG2 LYS 68 HG2 LYS 68 7.876 11.323 -10.305 567 HG3 LYS 68 HG3 LYS 68 7.852 9.892 -11.331 568 HD2 LYS 68 HD2 LYS 68 8.612 9.274 -9.112 569 HD3 LYS 68 HD3 LYS 68 9.943 9.109 -10.252 570 HE2 LYS 68 HE2 LYS 68 9.533 11.633 -8.657 571 HE3 LYS 68 HE3 LYS 68 10.443 10.267 -8.010 572 HZ1 LYS 68 HZ1 LYS 68 11.474 10.551 -10.487 573 HZ2 LYS 68 HZ2 LYS 68 12.161 11.186 -9.069 574 HZ3 LYS 68 HZ3 LYS 68 11.178 12.163 -10.051 575 H SER 69 H SER 69 10.115 9.677 -13.583 576 HA SER 69 HA SER 69 7.976 8.155 -14.977 577 HB2 SER 69 HB2 SER 69 9.721 8.862 -16.548 578 HB3 SER 69 HB3 SER 69 10.962 8.184 -15.499 579 HG SER 69 HG SER 69 10.249 6.170 -15.950 580 HA PRO 70 HA PRO 70 9.488 5.710 -11.411 581 HB2 PRO 70 HB2 PRO 70 7.137 5.257 -10.164 582 HB3 PRO 70 HB3 PRO 70 7.986 6.811 -10.031 583 HG2 PRO 70 HG2 PRO 70 5.568 6.114 -11.606 584 HG3 PRO 70 HG3 PRO 70 6.034 7.656 -10.871 585 HD2 PRO 70 HD2 PRO 70 6.363 6.908 -13.611 586 HD3 PRO 70 HD3 PRO 70 6.990 8.369 -12.831 587 H THR 71 H THR 71 6.363 4.918 -12.972 588 HA THR 71 HA THR 71 6.441 2.162 -12.641 589 HB THR 71 HB THR 71 4.384 2.867 -13.441 590 HG1 THR 71 HG1 THR 71 4.646 1.264 -14.820 591 HG21 THR 71 HG21 THR 71 5.988 4.665 -15.261 592 HG22 THR 71 HG22 THR 71 4.871 5.128 -13.978 593 HG23 THR 71 HG23 THR 71 4.253 4.429 -15.474 594 HA PRO 72 HA PRO 72 9.652 0.861 -15.413 595 HB2 PRO 72 HB2 PRO 72 8.871 -1.676 -16.028 596 HB3 PRO 72 HB3 PRO 72 9.440 -1.225 -14.408 597 HG2 PRO 72 HG2 PRO 72 6.635 -1.533 -15.400 598 HG3 PRO 72 HG3 PRO 72 7.359 -2.107 -13.886 599 HD2 PRO 72 HD2 PRO 72 5.855 0.170 -14.011 600 HD3 PRO 72 HD3 PRO 72 7.196 -0.026 -12.860 601 H LYS 73 H LYS 73 6.436 -0.147 -16.597 602 HA LYS 73 HA LYS 73 5.477 -0.130 -18.659 603 HB2 LYS 73 HB2 LYS 73 5.280 2.017 -19.381 604 HB3 LYS 73 HB3 LYS 73 6.466 2.438 -18.155 605 HG2 LYS 73 HG2 LYS 73 8.279 2.020 -19.849 606 HG3 LYS 73 HG3 LYS 73 7.027 1.767 -21.061 607 HD2 LYS 73 HD2 LYS 73 6.132 4.053 -20.511 608 HD3 LYS 73 HD3 LYS 73 7.540 4.298 -19.477 609 HE2 LYS 73 HE2 LYS 73 9.045 4.084 -21.344 610 HE3 LYS 73 HE3 LYS 73 7.741 3.554 -22.406 611 HZ1 LYS 73 HZ1 LYS 73 8.564 6.061 -22.288 612 HZ2 LYS 73 HZ2 LYS 73 7.380 6.116 -21.071 613 HZ3 LYS 73 HZ3 LYS 73 6.961 5.642 -22.647 614 HA PRO 74 HA PRO 74 8.083 -2.397 -21.391 615 HB2 PRO 74 HB2 PRO 74 6.858 -2.056 -23.815 616 HB3 PRO 74 HB3 PRO 74 6.150 -3.030 -22.510 617 HG2 PRO 74 HG2 PRO 74 5.541 -0.211 -23.303 618 HG3 PRO 74 HG3 PRO 74 4.427 -1.523 -22.875 619 HD2 PRO 74 HD2 PRO 74 5.118 0.427 -21.099 620 HD3 PRO 74 HD3 PRO 74 4.749 -1.236 -20.587 621 H1 VAL 208 H1 VAL 208 -9.465 14.422 18.469 622 H2 VAL 208 H2 VAL 208 -8.551 13.067 18.930 623 H3 VAL 208 H3 VAL 208 -9.876 13.562 19.871 624 HA VAL 208 HA VAL 208 -10.831 11.844 18.743 625 HB VAL 208 HB VAL 208 -11.114 14.084 16.723 626 HG11 VAL 208 HG11 VAL 208 -13.396 13.113 16.493 627 HG12 VAL 208 HG12 VAL 208 -12.946 11.840 17.628 628 HG13 VAL 208 HG13 VAL 208 -12.136 11.957 16.065 629 HG21 VAL 208 HG21 VAL 208 -11.442 14.989 18.976 630 HG22 VAL 208 HG22 VAL 208 -12.528 13.657 19.375 631 HG23 VAL 208 HG23 VAL 208 -13.000 14.848 18.163 632 H GLU 209 H GLU 209 -8.594 13.625 16.648 633 HA GLU 209 HA GLU 209 -7.221 12.940 14.940 634 HB2 GLU 209 HB2 GLU 209 -6.555 11.299 16.771 635 HB3 GLU 209 HB3 GLU 209 -7.621 10.135 15.984 636 HG2 GLU 209 HG2 GLU 209 -5.438 9.749 15.084 637 HG3 GLU 209 HG3 GLU 209 -6.342 10.602 13.833 638 H THR 210 H THR 210 -7.348 12.214 12.823 639 HA THR 210 HA THR 210 -9.543 10.483 11.991 640 HB THR 210 HB THR 210 -10.392 12.165 10.358 641 HG1 THR 210 HG1 THR 210 -9.586 14.360 11.575 642 HG21 THR 210 HG21 THR 210 -11.789 13.296 11.917 643 HG22 THR 210 HG22 THR 210 -10.551 13.253 13.172 644 HG23 THR 210 HG23 THR 210 -11.373 11.769 12.691 645 H PHE 211 H PHE 211 -9.516 10.495 9.425 646 HA PHE 211 HA PHE 211 -6.851 9.667 8.698 647 HB2 PHE 211 HB2 PHE 211 -9.452 9.788 7.159 648 HB3 PHE 211 HB3 PHE 211 -7.943 9.189 6.472 649 HD1 PHE 211 HD1 PHE 211 -10.087 8.746 9.526 650 HD2 PHE 211 HD2 PHE 211 -7.471 6.892 6.659 651 HE1 PHE 211 HE1 PHE 211 -10.495 6.539 10.576 652 HE2 PHE 211 HE2 PHE 211 -7.887 4.688 7.712 653 HZ PHE 211 HZ PHE 211 -9.394 4.512 9.669 654 H GLY 212 H GLY 212 -6.575 12.258 9.323 655 HA2 GLY 212 HA2 GLY 212 -6.873 13.975 7.008 656 HA3 GLY 212 HA3 GLY 212 -6.112 14.399 8.537 657 H THR 213 H THR 213 -4.167 15.185 7.915 658 HA THR 213 HA THR 213 -2.211 13.317 6.886 659 HB THR 213 HB THR 213 -2.880 13.932 4.734 660 HG1 THR 213 HG1 THR 213 -0.652 14.877 5.645 661 HG21 THR 213 HG21 THR 213 -3.456 16.311 4.156 662 HG22 THR 213 HG22 THR 213 -3.327 16.703 5.870 663 HG23 THR 213 HG23 THR 213 -4.559 15.570 5.314 664 H THR 214 H THR 214 -0.567 13.642 8.223 665 HA THR 214 HA THR 214 0.730 16.177 8.451 666 HB THR 214 HB THR 214 -0.784 15.162 10.869 667 HG1 THR 214 HG1 THR 214 -2.125 16.699 10.404 668 HG21 THR 214 HG21 THR 214 1.342 17.280 10.530 669 HG22 THR 214 HG22 THR 214 1.326 15.927 11.661 670 HG23 THR 214 HG23 THR 214 0.220 17.282 11.891 671 H SER 215 H SER 215 2.640 15.167 7.989 672 HA SER 215 HA SER 215 4.486 13.815 8.253 673 HB2 SER 215 HB2 SER 215 3.828 13.866 11.195 674 HB3 SER 215 HB3 SER 215 5.414 13.782 10.431 675 HG SER 215 HG SER 215 4.154 15.926 11.208 676 H TYS 216 H TYS 216 5.264 11.708 9.485 677 HA TYS 216 HA TYS 216 3.277 9.846 10.292 678 HB2 TYS 216 HB2 TYS 216 2.713 9.969 7.887 679 HB3 TYS 216 HB1 TYS 216 4.361 9.489 7.488 680 HD1 TYS 216 HD1 TYS 216 4.643 7.232 6.967 681 HD2 TYS 216 HD2 TYS 216 1.617 8.341 9.810 682 HE1 TYS 216 HE1 TYS 216 3.979 4.851 7.210 683 HE2 TYS 216 HE2 TYS 216 0.967 5.969 10.052 684 H TYS 217 H TYS 217 6.396 10.879 9.878 685 HA TYS 217 HA TYS 217 7.447 8.637 11.372 686 HB2 TYS 217 HB2 TYS 217 8.315 9.188 8.535 687 HB3 TYS 217 HB1 TYS 217 9.421 8.453 9.690 688 HD1 TYS 217 HD1 TYS 217 7.177 7.680 7.157 689 HD2 TYS 217 HD2 TYS 217 8.170 6.486 11.171 690 HE1 TYS 217 HE1 TYS 217 6.158 5.459 6.751 691 HE2 TYS 217 HE2 TYS 217 7.132 4.280 10.770 692 H ASP 218 H ASP 218 7.089 11.755 11.077 693 HA ASP 218 HA ASP 218 9.509 13.063 11.072 694 HB2 ASP 218 HB2 ASP 218 8.426 14.632 12.761 695 HB3 ASP 218 HB3 ASP 218 7.529 14.365 11.267 696 H ASP 219 H ASP 219 8.367 10.742 13.324 697 HA ASP 219 HA ASP 219 9.977 11.525 15.560 698 HB2 ASP 219 HB2 ASP 219 8.622 8.918 14.848 699 HB3 ASP 219 HB3 ASP 219 9.462 9.205 16.371 700 H VAL 220 H VAL 220 10.415 9.459 12.762 701 HA VAL 220 HA VAL 220 12.246 8.347 11.935 702 HB VAL 220 HB VAL 220 13.898 10.181 13.677 703 HG11 VAL 220 HG11 VAL 220 15.424 10.037 11.698 704 HG12 VAL 220 HG12 VAL 220 14.311 8.882 10.966 705 HG13 VAL 220 HG13 VAL 220 15.147 8.473 12.464 706 HG21 VAL 220 HG21 VAL 220 12.333 11.649 12.626 707 HG22 VAL 220 HG22 VAL 220 12.390 10.744 11.113 708 HG23 VAL 220 HG23 VAL 220 13.780 11.706 11.618 709 H GLY 221 H GLY 221 13.961 6.835 12.493 710 HA2 GLY 221 HA2 GLY 221 15.011 5.273 13.850 711 HA3 GLY 221 HA3 GLY 221 14.451 6.173 15.258 712 H LEU 222 H LEU 222 11.661 6.131 14.230 713 HA LEU 222 HA LEU 222 10.584 4.047 15.662 714 HB2 LEU 222 HB2 LEU 222 9.220 5.882 14.838 715 HB3 LEU 222 HB3 LEU 222 9.508 5.394 13.171 716 HG LEU 222 HG LEU 222 8.292 3.303 13.529 717 HD11 LEU 222 HD11 LEU 222 7.021 3.160 15.808 718 HD12 LEU 222 HD12 LEU 222 8.273 4.256 16.393 719 HD13 LEU 222 HD13 LEU 222 8.713 2.670 15.760 720 HD21 LEU 222 HD21 LEU 222 7.090 5.498 13.022 721 HD22 LEU 222 HD22 LEU 222 6.660 5.549 14.732 722 HD23 LEU 222 HD23 LEU 222 6.091 4.223 13.719 723 H LEU 223 H LEU 223 12.215 3.939 12.655 724 HA LEU 223 HA LEU 223 11.115 1.747 11.367 725 HB2 LEU 223 HB2 LEU 223 13.137 3.331 10.755 726 HB3 LEU 223 HB3 LEU 223 14.103 2.066 11.501 727 HG LEU 223 HG LEU 223 13.982 1.603 9.136 728 HD11 LEU 223 HD11 LEU 223 13.174 -0.633 9.178 729 HD12 LEU 223 HD12 LEU 223 11.977 -0.259 10.415 730 HD13 LEU 223 HD13 LEU 223 13.692 -0.287 10.827 731 HD21 LEU 223 HD21 LEU 223 12.092 1.740 7.818 732 HD22 LEU 223 HD22 LEU 223 11.634 2.918 9.043 733 HD23 LEU 223 HD23 LEU 223 10.998 1.275 9.118 Start of MODEL 19 1 H1 GLY 1 H1 GLY 1 -7.683 -8.507 10.648 2 H2 GLY 1 H2 GLY 1 -7.876 -9.374 12.096 3 H3 GLY 1 H3 GLY 1 -8.248 -7.717 12.039 4 HA2 GLY 1 HA2 GLY 1 -9.942 -9.889 11.557 5 HA3 GLY 1 HA3 GLY 1 -10.328 -8.169 11.490 6 HA PRO 2 HA PRO 2 -11.018 -10.178 7.271 7 HB2 PRO 2 HB2 PRO 2 -12.906 -7.838 7.377 8 HB3 PRO 2 HB3 PRO 2 -13.156 -9.454 6.685 9 HG2 PRO 2 HG2 PRO 2 -14.208 -8.810 9.036 10 HG3 PRO 2 HG3 PRO 2 -13.531 -10.426 8.754 11 HD2 PRO 2 HD2 PRO 2 -12.395 -8.166 10.354 12 HD3 PRO 2 HD3 PRO 2 -12.212 -9.918 10.591 13 H ALA 3 H ALA 3 -9.898 -9.552 5.494 14 HA ALA 3 HA ALA 3 -9.506 -6.794 4.784 15 HB1 ALA 3 HB1 ALA 3 -7.826 -7.124 6.624 16 HB2 ALA 3 HB2 ALA 3 -7.118 -6.676 5.073 17 HB3 ALA 3 HB3 ALA 3 -7.051 -8.349 5.622 18 H SER 4 H SER 4 -10.327 -9.544 3.767 19 HA SER 4 HA SER 4 -10.171 -10.770 1.829 20 HB2 SER 4 HB2 SER 4 -10.568 -8.381 0.984 21 HB3 SER 4 HB3 SER 4 -8.844 -8.342 0.626 22 HG SER 4 HG SER 4 -9.114 -9.826 -0.901 23 H VAL 5 H VAL 5 -8.736 -12.395 2.160 24 HA VAL 5 HA VAL 5 -6.731 -13.536 2.240 25 HB VAL 5 HB VAL 5 -6.104 -11.677 -0.065 26 HG11 VAL 5 HG11 VAL 5 -5.078 -14.422 0.725 27 HG12 VAL 5 HG12 VAL 5 -4.152 -12.921 0.709 28 HG13 VAL 5 HG13 VAL 5 -4.718 -13.623 -0.806 29 HG21 VAL 5 HG21 VAL 5 -7.432 -14.407 -0.080 30 HG22 VAL 5 HG22 VAL 5 -7.138 -13.367 -1.475 31 HG23 VAL 5 HG23 VAL 5 -8.304 -12.883 -0.244 32 HA PRO 6 HA PRO 6 -4.778 -10.157 4.805 33 HB2 PRO 6 HB2 PRO 6 -3.953 -12.715 6.155 34 HB3 PRO 6 HB3 PRO 6 -4.468 -11.176 6.878 35 HG2 PRO 6 HG2 PRO 6 -6.131 -13.238 6.772 36 HG3 PRO 6 HG3 PRO 6 -6.712 -11.588 6.475 37 HD2 PRO 6 HD2 PRO 6 -6.226 -13.795 4.507 38 HD3 PRO 6 HD3 PRO 6 -7.449 -12.504 4.472 39 H THR 7 H THR 7 -3.430 -9.800 2.898 40 HA THR 7 HA THR 7 -0.700 -10.515 3.347 41 HB THR 7 HB THR 7 -2.092 -11.741 0.955 42 HG1 THR 7 HG1 THR 7 -0.686 -12.856 3.150 43 HG21 THR 7 HG21 THR 7 0.244 -12.662 0.539 44 HG22 THR 7 HG22 THR 7 0.825 -11.467 1.699 45 HG23 THR 7 HG23 THR 7 0.036 -10.942 0.212 46 H THR 8 H THR 8 -2.852 -9.663 0.624 47 HA THR 8 HA THR 8 -0.984 -7.682 -0.355 48 HB THR 8 HB THR 8 -3.849 -8.089 -1.225 49 HG1 THR 8 HG1 THR 8 -2.728 -10.057 -1.304 50 HG21 THR 8 HG21 THR 8 -3.061 -7.150 -3.316 51 HG22 THR 8 HG22 THR 8 -1.398 -7.136 -2.728 52 HG23 THR 8 HG23 THR 8 -2.597 -6.061 -2.009 53 H CYS 9 H CYS 9 -4.364 -7.524 0.798 54 HA CYS 9 HA CYS 9 -4.459 -4.717 0.989 55 HB2 CYS 9 HB2 CYS 9 -6.249 -6.824 1.345 56 HB3 CYS 9 HB3 CYS 9 -6.158 -6.109 2.951 57 H CYS 10 H CYS 10 -5.429 -4.384 3.685 58 HA CYS 10 HA CYS 10 -3.457 -5.148 5.587 59 HB2 CYS 10 HB2 CYS 10 -2.198 -3.160 5.843 60 HB3 CYS 10 HB3 CYS 10 -2.210 -3.469 4.107 61 H PHE 11 H PHE 11 -3.628 -2.577 7.030 62 HA PHE 11 HA PHE 11 -6.117 -3.070 8.381 63 HB2 PHE 11 HB2 PHE 11 -3.965 -2.294 9.477 64 HB3 PHE 11 HB3 PHE 11 -4.273 -0.708 8.772 65 HD1 PHE 11 HD1 PHE 11 -5.800 -3.343 10.937 66 HD2 PHE 11 HD2 PHE 11 -5.773 0.803 9.811 67 HE1 PHE 11 HE1 PHE 11 -7.365 -2.828 12.790 68 HE2 PHE 11 HE2 PHE 11 -7.337 1.316 11.665 69 HZ PHE 11 HZ PHE 11 -8.134 -0.500 13.155 70 H ASN 12 H ASN 12 -6.633 -2.457 5.728 71 HA ASN 12 HA ASN 12 -7.758 -1.032 4.314 72 HB2 ASN 12 HB2 ASN 12 -9.762 0.047 5.456 73 HB3 ASN 12 HB3 ASN 12 -9.631 -1.704 5.592 74 HD21 ASN 12 HD21 ASN 12 -9.596 -2.566 7.694 75 HD22 ASN 12 HD22 ASN 12 -9.430 -1.635 9.104 76 H LEU 13 H LEU 13 -6.588 0.573 3.495 77 HA LEU 13 HA LEU 13 -5.758 2.678 3.148 78 HB2 LEU 13 HB2 LEU 13 -7.498 3.660 5.401 79 HB3 LEU 13 HB3 LEU 13 -7.001 4.513 3.942 80 HG LEU 13 HG LEU 13 -8.983 2.234 4.162 81 HD11 LEU 13 HD11 LEU 13 -9.689 4.623 4.623 82 HD12 LEU 13 HD12 LEU 13 -10.555 3.831 3.307 83 HD13 LEU 13 HD13 LEU 13 -9.274 4.990 2.949 84 HD21 LEU 13 HD21 LEU 13 -7.677 3.466 1.717 85 HD22 LEU 13 HD22 LEU 13 -9.174 2.538 1.646 86 HD23 LEU 13 HD23 LEU 13 -7.687 1.764 2.179 87 H ALA 14 H ALA 14 -5.049 4.753 4.685 88 HA ALA 14 HA ALA 14 -3.593 3.797 7.039 89 HB1 ALA 14 HB1 ALA 14 -2.096 3.356 5.099 90 HB2 ALA 14 HB2 ALA 14 -1.434 4.549 6.218 91 HB3 ALA 14 HB3 ALA 14 -2.159 5.072 4.696 92 H ASN 15 H ASN 15 -3.198 5.394 8.509 93 HA ASN 15 HA ASN 15 -4.551 7.928 8.071 94 HB2 ASN 15 HB2 ASN 15 -2.992 7.062 10.509 95 HB3 ASN 15 HB3 ASN 15 -4.242 8.300 10.412 96 HD21 ASN 15 HD21 ASN 15 -4.116 4.889 9.219 97 HD22 ASN 15 HD22 ASN 15 -5.558 4.424 9.984 98 H ARG 16 H ARG 16 -3.417 9.937 8.937 99 HA ARG 16 HA ARG 16 -1.831 11.544 8.552 100 HB2 ARG 16 HB2 ARG 16 0.129 9.316 9.132 101 HB3 ARG 16 HB3 ARG 16 0.373 11.047 9.363 102 HG2 ARG 16 HG2 ARG 16 -1.802 10.811 10.897 103 HG3 ARG 16 HG3 ARG 16 -1.289 9.127 10.978 104 HD2 ARG 16 HD2 ARG 16 0.861 9.766 11.892 105 HD3 ARG 16 HD3 ARG 16 0.519 11.473 11.633 106 HE ARG 16 HE ARG 16 -1.501 10.400 13.273 107 HH11 ARG 16 HH21 ARG 16 1.890 11.085 13.275 108 HH12 ARG 16 HH22 ARG 16 1.975 11.357 14.983 109 HH21 ARG 16 HH11 ARG 16 -1.397 10.754 15.515 110 HH22 ARG 16 HH12 ARG 16 0.114 11.168 16.252 111 H LYS 17 H LYS 17 0.118 12.158 7.232 112 HA LYS 17 HA LYS 17 -0.207 11.073 4.539 113 HB2 LYS 17 HB2 LYS 17 -0.287 13.442 4.651 114 HB3 LYS 17 HB3 LYS 17 1.146 13.521 5.673 115 HG2 LYS 17 HG2 LYS 17 2.597 12.967 3.888 116 HG3 LYS 17 HG3 LYS 17 1.280 12.354 2.891 117 HD2 LYS 17 HD2 LYS 17 0.371 14.629 2.667 118 HD3 LYS 17 HD3 LYS 17 1.657 15.254 3.699 119 HE2 LYS 17 HE2 LYS 17 2.237 13.726 1.156 120 HE3 LYS 17 HE3 LYS 17 2.027 15.477 1.172 121 HZ1 LYS 17 HZ1 LYS 17 4.284 15.237 1.467 122 HZ2 LYS 17 HZ2 LYS 17 4.131 13.849 2.435 123 HZ3 LYS 17 HZ3 LYS 17 3.747 15.378 3.070 124 H ILE 18 H ILE 18 1.186 9.766 3.556 125 HA ILE 18 HA ILE 18 3.465 8.711 4.905 126 HB ILE 18 HB ILE 18 2.161 8.374 2.231 127 HG12 ILE 18 HG12 ILE 18 1.703 7.059 4.456 128 HG13 ILE 18 HG13 ILE 18 1.769 6.179 2.936 129 HG21 ILE 18 HG21 ILE 18 4.023 6.733 1.608 130 HG22 ILE 18 HG22 ILE 18 5.010 7.550 2.815 131 HG23 ILE 18 HG23 ILE 18 4.393 8.446 1.431 132 HD11 ILE 18 HD11 ILE 18 3.990 5.397 3.377 133 HD12 ILE 18 HD12 ILE 18 3.060 5.129 4.849 134 HD13 ILE 18 HD13 ILE 18 4.168 6.484 4.744 135 HA PRO 19 HA PRO 19 6.264 11.988 3.554 136 HB2 PRO 19 HB2 PRO 19 8.669 10.738 3.980 137 HB3 PRO 19 HB3 PRO 19 7.677 11.386 5.298 138 HG2 PRO 19 HG2 PRO 19 7.858 8.582 4.277 139 HG3 PRO 19 HG3 PRO 19 7.883 9.159 5.950 140 HD2 PRO 19 HD2 PRO 19 5.657 8.163 4.891 141 HD3 PRO 19 HD3 PRO 19 5.579 9.535 6.006 142 H LEU 20 H LEU 20 6.306 12.400 1.417 143 HA LEU 20 HA LEU 20 6.342 10.631 -0.680 144 HB2 LEU 20 HB2 LEU 20 7.051 13.514 -0.385 145 HB3 LEU 20 HB3 LEU 20 7.511 12.728 -1.894 146 HG LEU 20 HG LEU 20 5.175 11.975 -2.209 147 HD11 LEU 20 HD11 LEU 20 4.677 13.575 0.320 148 HD12 LEU 20 HD12 LEU 20 4.500 11.830 0.139 149 HD13 LEU 20 HD13 LEU 20 3.416 12.919 -0.725 150 HD21 LEU 20 HD21 LEU 20 5.194 14.942 -1.620 151 HD22 LEU 20 HD22 LEU 20 4.299 14.091 -2.880 152 HD23 LEU 20 HD23 LEU 20 6.052 14.250 -2.996 153 H GLN 21 H GLN 21 9.172 12.107 0.884 154 HA GLN 21 HA GLN 21 11.202 11.407 -0.798 155 HB2 GLN 21 HB2 GLN 21 12.571 11.048 1.374 156 HB3 GLN 21 HB3 GLN 21 11.825 12.624 1.105 157 HG2 GLN 21 HG2 GLN 21 9.937 12.005 2.522 158 HG3 GLN 21 HG3 GLN 21 10.608 10.387 2.749 159 HE21 GLN 21 HE21 GLN 21 13.355 11.073 3.137 160 HE22 GLN 21 HE22 GLN 21 13.490 11.955 4.580 161 H ARG 22 H ARG 22 9.739 9.239 1.633 162 HA ARG 22 HA ARG 22 11.468 7.048 0.892 163 HB2 ARG 22 HB2 ARG 22 9.087 7.294 2.735 164 HB3 ARG 22 HB3 ARG 22 9.932 5.767 2.461 165 HG2 ARG 22 HG2 ARG 22 11.824 6.436 3.611 166 HG3 ARG 22 HG3 ARG 22 11.659 8.122 3.127 167 HD2 ARG 22 HD2 ARG 22 10.131 8.598 4.830 168 HD3 ARG 22 HD3 ARG 22 9.655 6.916 5.020 169 HE ARG 22 HE ARG 22 11.415 6.653 6.506 170 HH11 ARG 22 HH21 ARG 22 11.849 9.485 4.565 171 HH12 ARG 22 HH22 ARG 22 13.237 10.041 5.440 172 HH21 ARG 22 HH11 ARG 22 13.234 7.376 7.659 173 HH22 ARG 22 HH12 ARG 22 14.021 8.847 7.192 174 H LEU 23 H LEU 23 7.992 7.726 0.516 175 HA LEU 23 HA LEU 23 7.042 5.490 -0.673 176 HB2 LEU 23 HB2 LEU 23 5.471 7.179 -0.409 177 HB3 LEU 23 HB3 LEU 23 6.533 8.401 -1.060 178 HG LEU 23 HG LEU 23 4.533 7.883 -2.467 179 HD11 LEU 23 HD11 LEU 23 6.654 7.141 -4.347 180 HD12 LEU 23 HD12 LEU 23 7.119 8.471 -3.292 181 HD13 LEU 23 HD13 LEU 23 5.663 8.596 -4.265 182 HD21 LEU 23 HD21 LEU 23 3.993 5.804 -3.112 183 HD22 LEU 23 HD22 LEU 23 5.226 5.198 -2.021 184 HD23 LEU 23 HD23 LEU 23 5.605 5.475 -3.715 185 H GLU 24 H GLU 24 7.198 4.412 -2.597 186 HA GLU 24 HA GLU 24 9.222 5.396 -4.530 187 HB2 GLU 24 HB2 GLU 24 9.909 3.318 -3.534 188 HB3 GLU 24 HB3 GLU 24 8.330 2.598 -3.822 189 HG2 GLU 24 HG2 GLU 24 10.108 1.902 -5.474 190 HG3 GLU 24 HG3 GLU 24 8.672 2.606 -6.210 191 H SER 25 H SER 25 6.320 3.291 -4.527 192 HA SER 25 HA SER 25 5.206 4.791 -6.779 193 HB2 SER 25 HB2 SER 25 6.722 2.919 -7.669 194 HB3 SER 25 HB3 SER 25 5.520 1.803 -7.029 195 HG SER 25 HG SER 25 4.826 3.979 -8.696 196 H TYR 26 H TYR 26 3.104 3.271 -7.480 197 HA TYR 26 HA TYR 26 1.720 2.553 -4.965 198 HB2 TYR 26 HB2 TYR 26 -0.254 3.732 -5.615 199 HB3 TYR 26 HB3 TYR 26 1.093 4.859 -5.759 200 HD1 TYR 26 HD2 TYR 26 2.054 5.385 -8.002 201 HD2 TYR 26 HD1 TYR 26 -1.491 3.011 -7.528 202 HE1 TYR 26 HE2 TYR 26 1.506 5.737 -10.393 203 HE2 TYR 26 HE1 TYR 26 -2.040 3.352 -9.924 204 HH TYR 26 HH TYR 26 0.180 4.581 -12.161 205 H ARG 27 H ARG 27 -0.276 1.260 -5.338 206 HA ARG 27 HA ARG 27 -0.458 -0.194 -7.851 207 HB2 ARG 27 HB2 ARG 27 1.326 -1.458 -6.935 208 HB3 ARG 27 HB3 ARG 27 0.643 -1.415 -5.317 209 HG2 ARG 27 HG2 ARG 27 0.385 -3.637 -6.380 210 HG3 ARG 27 HG3 ARG 27 -1.179 -2.913 -6.028 211 HD2 ARG 27 HD2 ARG 27 -0.992 -3.941 -8.318 212 HD3 ARG 27 HD3 ARG 27 -1.462 -2.250 -8.322 213 HE ARG 27 HE ARG 27 1.371 -2.514 -8.530 214 HH11 ARG 27 HH21 ARG 27 -1.604 -2.843 -10.267 215 HH12 ARG 27 HH22 ARG 27 -0.896 -2.520 -11.815 216 HH21 ARG 27 HH11 ARG 27 2.307 -2.090 -10.556 217 HH22 ARG 27 HH12 ARG 27 1.318 -2.094 -11.979 218 H ARG 28 H ARG 28 -2.567 -0.589 -8.201 219 HA ARG 28 HA ARG 28 -4.518 -0.119 -6.170 220 HB2 ARG 28 HB2 ARG 28 -4.525 -0.113 -8.943 221 HB3 ARG 28 HB3 ARG 28 -5.481 -1.541 -8.569 222 HG2 ARG 28 HG2 ARG 28 -6.824 -0.072 -6.962 223 HG3 ARG 28 HG3 ARG 28 -5.975 1.309 -7.655 224 HD2 ARG 28 HD2 ARG 28 -7.494 -0.685 -9.350 225 HD3 ARG 28 HD3 ARG 28 -8.234 0.776 -8.702 226 HE ARG 28 HE ARG 28 -5.867 1.511 -10.030 227 HH11 ARG 28 HH21 ARG 28 -8.989 0.158 -10.662 228 HH12 ARG 28 HH22 ARG 28 -9.092 0.798 -12.268 229 HH21 ARG 28 HH11 ARG 28 -5.997 2.354 -12.134 230 HH22 ARG 28 HH12 ARG 28 -7.399 2.041 -13.102 231 H ILE 29 H ILE 29 -6.213 -1.676 -5.546 232 HA ILE 29 HA ILE 29 -5.169 -4.449 -5.344 233 HB ILE 29 HB ILE 29 -6.961 -3.789 -3.132 234 HG12 ILE 29 HG12 ILE 29 -4.496 -2.039 -3.393 235 HG13 ILE 29 HG13 ILE 29 -6.153 -1.471 -3.550 236 HG21 ILE 29 HG21 ILE 29 -5.399 -5.647 -3.062 237 HG22 ILE 29 HG22 ILE 29 -4.950 -4.502 -1.803 238 HG23 ILE 29 HG23 ILE 29 -4.032 -4.564 -3.305 239 HD11 ILE 29 HD11 ILE 29 -4.998 -2.777 -1.068 240 HD12 ILE 29 HD12 ILE 29 -6.641 -2.162 -1.246 241 HD13 ILE 29 HD13 ILE 29 -5.274 -1.047 -1.274 242 H THR 30 H THR 30 -7.234 -2.935 -7.099 243 HA THR 30 HA THR 30 -9.817 -3.810 -6.544 244 HB THR 30 HB THR 30 -10.078 -3.807 -9.098 245 HG1 THR 30 HG1 THR 30 -7.663 -4.194 -9.202 246 HG21 THR 30 HG21 THR 30 -9.745 -1.328 -9.200 247 HG22 THR 30 HG22 THR 30 -8.920 -1.415 -7.643 248 HG23 THR 30 HG23 THR 30 -10.624 -1.852 -7.763 249 H SER 31 H SER 31 -7.058 -5.581 -7.722 250 HA SER 31 HA SER 31 -8.625 -7.912 -8.491 251 HB2 SER 31 HB2 SER 31 -5.645 -7.423 -8.340 252 HB3 SER 31 HB3 SER 31 -6.376 -8.927 -8.894 253 HG SER 31 HG SER 31 -5.972 -6.658 -10.242 254 H GLY 32 H GLY 32 -7.061 -6.676 -5.683 255 HA2 GLY 32 HA2 GLY 32 -6.679 -9.229 -4.384 256 HA3 GLY 32 HA3 GLY 32 -6.484 -7.641 -3.650 257 H LYS 33 H LYS 33 -9.376 -7.415 -5.083 258 HA LYS 33 HA LYS 33 -11.551 -7.458 -4.350 259 HB2 LYS 33 HB2 LYS 33 -10.778 -9.831 -2.655 260 HB3 LYS 33 HB3 LYS 33 -12.352 -9.460 -3.362 261 HG2 LYS 33 HG2 LYS 33 -11.183 -9.618 -5.646 262 HG3 LYS 33 HG3 LYS 33 -9.840 -10.364 -4.778 263 HD2 LYS 33 HD2 LYS 33 -12.704 -11.358 -4.706 264 HD3 LYS 33 HD3 LYS 33 -11.425 -12.052 -5.702 265 HE2 LYS 33 HE2 LYS 33 -10.101 -12.325 -3.510 266 HE3 LYS 33 HE3 LYS 33 -11.630 -12.014 -2.689 267 HZ1 LYS 33 HZ1 LYS 33 -12.294 -14.070 -3.108 268 HZ2 LYS 33 HZ2 LYS 33 -10.748 -14.416 -3.721 269 HZ3 LYS 33 HZ3 LYS 33 -11.984 -13.902 -4.767 270 H CYS 34 H CYS 34 -9.333 -6.128 -2.777 271 HA CYS 34 HA CYS 34 -9.602 -6.228 -0.055 272 HB2 CYS 34 HB2 CYS 34 -9.066 -4.000 -1.984 273 HB3 CYS 34 HB3 CYS 34 -9.289 -3.596 -0.285 274 HA PRO 35 HA PRO 35 -13.722 -5.173 1.095 275 HB2 PRO 35 HB2 PRO 35 -13.253 -3.183 3.044 276 HB3 PRO 35 HB3 PRO 35 -13.278 -4.933 3.334 277 HG2 PRO 35 HG2 PRO 35 -10.949 -3.121 2.908 278 HG3 PRO 35 HG3 PRO 35 -11.109 -4.521 3.984 279 HD2 PRO 35 HD2 PRO 35 -9.732 -4.695 1.685 280 HD3 PRO 35 HD3 PRO 35 -10.717 -6.058 2.262 281 H GLN 36 H GLN 36 -11.642 -3.023 -0.405 282 HA GLN 36 HA GLN 36 -13.683 -1.578 -1.702 283 HB2 GLN 36 HB2 GLN 36 -13.192 0.691 -0.739 284 HB3 GLN 36 HB3 GLN 36 -14.038 -0.390 0.365 285 HG2 GLN 36 HG2 GLN 36 -12.314 0.584 1.672 286 HG3 GLN 36 HG3 GLN 36 -11.710 -1.019 1.269 287 HE21 GLN 36 HE21 GLN 36 -9.502 -0.813 0.876 288 HE22 GLN 36 HE22 GLN 36 -8.798 0.405 -0.073 289 H LYS 37 H LYS 37 -12.887 -0.352 -3.405 290 HA LYS 37 HA LYS 37 -10.349 -0.995 -4.410 291 HB2 LYS 37 HB2 LYS 37 -12.091 -0.258 -5.908 292 HB3 LYS 37 HB3 LYS 37 -12.220 1.291 -5.074 293 HG2 LYS 37 HG2 LYS 37 -10.108 2.024 -5.867 294 HG3 LYS 37 HG3 LYS 37 -9.626 0.394 -6.336 295 HD2 LYS 37 HD2 LYS 37 -10.283 1.836 -8.283 296 HD3 LYS 37 HD3 LYS 37 -11.254 0.372 -8.138 297 HE2 LYS 37 HE2 LYS 37 -12.144 2.968 -6.881 298 HE3 LYS 37 HE3 LYS 37 -12.507 2.591 -8.564 299 HZ1 LYS 37 HZ1 LYS 37 -13.655 1.516 -6.164 300 HZ2 LYS 37 HZ2 LYS 37 -13.167 0.312 -7.259 301 HZ3 LYS 37 HZ3 LYS 37 -14.261 1.517 -7.748 302 H ALA 38 H ALA 38 -8.361 -0.032 -4.264 303 HA ALA 38 HA ALA 38 -8.030 2.625 -3.232 304 HB1 ALA 38 HB1 ALA 38 -6.565 1.642 -1.263 305 HB2 ALA 38 HB2 ALA 38 -7.630 0.251 -1.452 306 HB3 ALA 38 HB3 ALA 38 -8.307 1.833 -1.064 307 H VAL 39 H VAL 39 -5.642 3.081 -2.806 308 HA VAL 39 HA VAL 39 -3.976 1.614 -4.769 309 HB VAL 39 HB VAL 39 -2.913 3.660 -5.363 310 HG11 VAL 39 HG11 VAL 39 -5.275 3.182 -6.226 311 HG12 VAL 39 HG12 VAL 39 -4.723 4.852 -6.356 312 HG13 VAL 39 HG13 VAL 39 -5.832 4.389 -5.066 313 HG21 VAL 39 HG21 VAL 39 -2.648 4.798 -3.297 314 HG22 VAL 39 HG22 VAL 39 -4.380 4.766 -2.964 315 HG23 VAL 39 HG23 VAL 39 -3.742 5.822 -4.225 316 H ILE 40 H ILE 40 -2.298 0.610 -3.950 317 HA ILE 40 HA ILE 40 -1.532 1.033 -1.176 318 HB ILE 40 HB ILE 40 -0.802 -1.010 -3.272 319 HG12 ILE 40 HG12 ILE 40 -2.069 -1.461 -0.567 320 HG13 ILE 40 HG13 ILE 40 -3.039 -1.002 -1.963 321 HG21 ILE 40 HG21 ILE 40 0.360 -2.184 -1.315 322 HG22 ILE 40 HG22 ILE 40 0.342 -0.621 -0.500 323 HG23 ILE 40 HG23 ILE 40 1.214 -0.813 -2.021 324 HD11 ILE 40 HD11 ILE 40 -2.343 -2.952 -3.194 325 HD12 ILE 40 HD12 ILE 40 -2.840 -3.503 -1.592 326 HD13 ILE 40 HD13 ILE 40 -1.127 -3.349 -1.981 327 H PHE 41 H PHE 41 -0.145 2.759 -0.858 328 HA PHE 41 HA PHE 41 1.919 3.368 -2.809 329 HB2 PHE 41 HB2 PHE 41 1.450 4.463 -0.018 330 HB3 PHE 41 HB3 PHE 41 2.683 5.039 -1.138 331 HD1 PHE 41 HD2 PHE 41 1.732 5.553 -3.613 332 HD2 PHE 41 HD1 PHE 41 -0.571 5.616 0.012 333 HE1 PHE 41 HE2 PHE 41 0.074 7.046 -4.691 334 HE2 PHE 41 HE1 PHE 41 -2.212 7.107 -1.058 335 HZ PHE 41 HZ PHE 41 -1.900 7.822 -3.413 336 H LYS 42 H LYS 42 3.742 2.224 -2.938 337 HA LYS 42 HA LYS 42 4.625 0.673 -0.586 338 HB2 LYS 42 HB2 LYS 42 5.839 -0.712 -2.101 339 HB3 LYS 42 HB3 LYS 42 4.243 -0.467 -2.808 340 HG2 LYS 42 HG2 LYS 42 5.336 1.521 -4.070 341 HG3 LYS 42 HG3 LYS 42 6.870 0.777 -3.620 342 HD2 LYS 42 HD2 LYS 42 4.644 -0.479 -5.249 343 HD3 LYS 42 HD3 LYS 42 6.263 -0.057 -5.807 344 HE2 LYS 42 HE2 LYS 42 7.143 -1.662 -4.018 345 HE3 LYS 42 HE3 LYS 42 5.481 -2.231 -3.856 346 HZ1 LYS 42 HZ1 LYS 42 7.387 -2.862 -5.844 347 HZ2 LYS 42 HZ2 LYS 42 6.025 -2.148 -6.567 348 HZ3 LYS 42 HZ3 LYS 42 5.847 -3.528 -5.595 349 H THR 43 H THR 43 6.239 1.375 0.583 350 HA THR 43 HA THR 43 8.111 3.374 -0.560 351 HB THR 43 HB THR 43 8.179 4.425 1.498 352 HG1 THR 43 HG1 THR 43 7.206 2.717 3.247 353 HG21 THR 43 HG21 THR 43 5.717 4.117 0.652 354 HG22 THR 43 HG22 THR 43 5.992 4.731 2.284 355 HG23 THR 43 HG23 THR 43 5.566 3.037 2.040 356 H LYS 44 H LYS 44 10.303 3.298 0.635 357 HA LYS 44 HA LYS 44 11.420 0.677 0.221 358 HB2 LYS 44 HB2 LYS 44 12.828 3.013 1.514 359 HB3 LYS 44 HB3 LYS 44 13.530 1.695 0.576 360 HG2 LYS 44 HG2 LYS 44 11.680 3.841 -0.504 361 HG3 LYS 44 HG3 LYS 44 13.421 3.752 -0.768 362 HD2 LYS 44 HD2 LYS 44 12.972 1.397 -1.729 363 HD3 LYS 44 HD3 LYS 44 11.277 1.883 -1.786 364 HE2 LYS 44 HE2 LYS 44 12.120 2.449 -3.925 365 HE3 LYS 44 HE3 LYS 44 12.106 3.976 -3.044 366 HZ1 LYS 44 HZ1 LYS 44 14.528 2.821 -2.461 367 HZ2 LYS 44 HZ2 LYS 44 14.253 4.127 -3.512 368 HZ3 LYS 44 HZ3 LYS 44 14.313 2.541 -4.120 369 H LEU 45 H LEU 45 9.444 0.637 2.222 370 HA LEU 45 HA LEU 45 10.942 0.294 4.751 371 HB2 LEU 45 HB2 LEU 45 8.087 0.868 4.046 372 HB3 LEU 45 HB3 LEU 45 8.413 0.022 5.548 373 HG LEU 45 HG LEU 45 8.247 2.623 5.571 374 HD11 LEU 45 HD11 LEU 45 8.878 1.471 7.549 375 HD12 LEU 45 HD12 LEU 45 10.092 2.729 7.309 376 HD13 LEU 45 HD13 LEU 45 10.461 1.055 6.893 377 HD21 LEU 45 HD21 LEU 45 10.126 3.901 4.987 378 HD22 LEU 45 HD22 LEU 45 10.031 2.761 3.655 379 HD23 LEU 45 HD23 LEU 45 11.202 2.514 4.944 380 H ALA 46 H ALA 46 9.414 -1.496 6.061 381 HA ALA 46 HA ALA 46 9.975 -3.989 4.598 382 HB1 ALA 46 HB1 ALA 46 11.013 -3.883 6.747 383 HB2 ALA 46 HB2 ALA 46 9.656 -5.001 6.894 384 HB3 ALA 46 HB3 ALA 46 9.514 -3.356 7.514 385 H LYS 47 H LYS 47 7.446 -2.172 4.396 386 HA LYS 47 HA LYS 47 5.607 -4.373 4.179 387 HB2 LYS 47 HB2 LYS 47 3.933 -3.041 5.768 388 HB3 LYS 47 HB3 LYS 47 5.067 -4.223 6.421 389 HG2 LYS 47 HG2 LYS 47 5.091 -2.106 7.710 390 HG3 LYS 47 HG3 LYS 47 6.655 -2.445 6.975 391 HD2 LYS 47 HD2 LYS 47 6.262 -0.853 5.216 392 HD3 LYS 47 HD3 LYS 47 4.574 -0.661 5.690 393 HE2 LYS 47 HE2 LYS 47 5.275 0.300 7.842 394 HE3 LYS 47 HE3 LYS 47 6.968 0.081 7.397 395 HZ1 LYS 47 HZ1 LYS 47 5.933 1.421 5.282 396 HZ2 LYS 47 HZ2 LYS 47 6.810 2.123 6.557 397 HZ3 LYS 47 HZ3 LYS 47 5.112 2.120 6.592 398 H ASP 48 H ASP 48 3.337 -3.511 3.638 399 HA ASP 48 HA ASP 48 3.648 -1.307 1.686 400 HB2 ASP 48 HB2 ASP 48 1.422 -3.339 1.801 401 HB3 ASP 48 HB3 ASP 48 1.887 -2.307 0.452 402 H ILE 49 H ILE 49 2.062 0.297 1.514 403 HA ILE 49 HA ILE 49 0.349 0.671 3.916 404 HB ILE 49 HB ILE 49 1.407 2.855 2.111 405 HG12 ILE 49 HG12 ILE 49 3.253 1.475 3.305 406 HG13 ILE 49 HG13 ILE 49 3.261 3.214 3.526 407 HG21 ILE 49 HG21 ILE 49 0.152 2.794 4.864 408 HG22 ILE 49 HG22 ILE 49 -0.488 3.541 3.402 409 HG23 ILE 49 HG23 ILE 49 0.935 4.222 4.189 410 HD11 ILE 49 HD11 ILE 49 2.313 3.043 5.714 411 HD12 ILE 49 HD12 ILE 49 3.595 1.837 5.639 412 HD13 ILE 49 HD13 ILE 49 1.913 1.340 5.483 413 H CYS 50 H CYS 50 -1.798 1.149 3.596 414 HA CYS 50 HA CYS 50 -2.799 0.978 0.814 415 HB2 CYS 50 HB2 CYS 50 -4.381 0.789 3.385 416 HB3 CYS 50 HB3 CYS 50 -4.898 0.324 1.764 417 H ALA 51 H ALA 51 -4.737 2.351 0.305 418 HA ALA 51 HA ALA 51 -5.359 4.674 1.796 419 HB1 ALA 51 HB1 ALA 51 -4.166 6.128 -0.200 420 HB2 ALA 51 HB2 ALA 51 -3.014 4.812 -0.003 421 HB3 ALA 51 HB3 ALA 51 -3.432 5.827 1.374 422 H ASP 52 H ASP 52 -7.154 5.668 0.987 423 HA ASP 52 HA ASP 52 -8.300 4.547 -1.472 424 HB2 ASP 52 HB2 ASP 52 -9.731 4.465 0.468 425 HB3 ASP 52 HB3 ASP 52 -9.491 6.181 0.776 426 HA PRO 53 HA PRO 53 -7.331 8.364 -3.626 427 HB2 PRO 53 HB2 PRO 53 -8.998 8.143 -5.781 428 HB3 PRO 53 HB3 PRO 53 -7.533 7.160 -5.594 429 HG2 PRO 53 HG2 PRO 53 -10.373 6.442 -4.988 430 HG3 PRO 53 HG3 PRO 53 -9.124 5.492 -5.821 431 HD2 PRO 53 HD2 PRO 53 -9.741 5.071 -3.209 432 HD3 PRO 53 HD3 PRO 53 -8.090 4.854 -3.837 433 H LYS 54 H LYS 54 -8.486 9.307 -1.613 434 HA LYS 54 HA LYS 54 -10.604 11.092 -2.584 435 HB2 LYS 54 HB2 LYS 54 -10.843 9.223 -0.227 436 HB3 LYS 54 HB3 LYS 54 -11.762 10.727 -0.295 437 HG2 LYS 54 HG2 LYS 54 -12.853 10.059 -2.339 438 HG3 LYS 54 HG3 LYS 54 -11.800 8.657 -2.507 439 HD2 LYS 54 HD2 LYS 54 -12.733 7.868 -0.253 440 HD3 LYS 54 HD3 LYS 54 -13.966 9.114 -0.450 441 HE2 LYS 54 HE2 LYS 54 -14.690 8.125 -2.558 442 HE3 LYS 54 HE3 LYS 54 -13.390 6.936 -2.481 443 HZ1 LYS 54 HZ1 LYS 54 -15.129 5.762 -1.606 444 HZ2 LYS 54 HZ2 LYS 54 -15.844 7.120 -0.877 445 HZ3 LYS 54 HZ3 LYS 54 -14.463 6.409 -0.186 446 H LYS 55 H LYS 55 -8.295 10.197 -0.066 447 HA LYS 55 HA LYS 55 -8.315 12.820 1.138 448 HB2 LYS 55 HB2 LYS 55 -5.933 11.277 1.802 449 HB3 LYS 55 HB3 LYS 55 -7.270 11.746 2.845 450 HG2 LYS 55 HG2 LYS 55 -8.596 9.821 1.909 451 HG3 LYS 55 HG3 LYS 55 -7.161 9.320 1.031 452 HD2 LYS 55 HD2 LYS 55 -7.316 8.047 3.104 453 HD3 LYS 55 HD3 LYS 55 -5.924 9.122 3.177 454 HE2 LYS 55 HE2 LYS 55 -7.644 8.961 5.210 455 HE3 LYS 55 HE3 LYS 55 -6.891 10.494 4.782 456 HZ1 LYS 55 HZ1 LYS 55 -9.351 10.565 5.089 457 HZ2 LYS 55 HZ2 LYS 55 -9.503 9.600 3.700 458 HZ3 LYS 55 HZ3 LYS 55 -8.812 11.147 3.590 459 H LYS 56 H LYS 56 -6.785 14.425 0.908 460 HA LYS 56 HA LYS 56 -5.826 14.976 -1.599 461 HB2 LYS 56 HB2 LYS 56 -6.053 16.539 0.393 462 HB3 LYS 56 HB3 LYS 56 -4.460 15.973 0.895 463 HG2 LYS 56 HG2 LYS 56 -3.621 16.600 -1.413 464 HG3 LYS 56 HG3 LYS 56 -5.178 17.381 -1.687 465 HD2 LYS 56 HD2 LYS 56 -4.738 18.668 0.491 466 HD3 LYS 56 HD3 LYS 56 -3.077 18.089 0.365 467 HE2 LYS 56 HE2 LYS 56 -2.858 19.122 -1.848 468 HE3 LYS 56 HE3 LYS 56 -4.537 19.656 -1.781 469 HZ1 LYS 56 HZ1 LYS 56 -2.980 20.420 0.515 470 HZ2 LYS 56 HZ2 LYS 56 -4.021 21.353 -0.452 471 HZ3 LYS 56 HZ3 LYS 56 -2.413 21.093 -0.935 472 H TRP 57 H TRP 57 -3.715 13.838 1.097 473 HA TRP 57 HA TRP 57 -1.389 13.741 -0.425 474 HB2 TRP 57 HB2 TRP 57 -0.400 12.456 1.285 475 HB3 TRP 57 HB3 TRP 57 -1.584 13.475 2.089 476 HD1 TRP 57 HD1 TRP 57 -3.851 12.310 2.923 477 HE1 TRP 57 HE1 TRP 57 -4.347 9.869 3.579 478 HE3 TRP 57 HE3 TRP 57 0.155 9.961 0.760 479 HZ2 TRP 57 HZ2 TRP 57 -3.207 7.273 3.238 480 HZ3 TRP 57 HZ3 TRP 57 0.417 7.508 0.945 481 HH2 TRP 57 HH2 TRP 57 -1.257 6.163 2.183 482 H VAL 58 H VAL 58 -4.077 11.546 -0.503 483 HA VAL 58 HA VAL 58 -2.596 9.360 -1.650 484 HB VAL 58 HB VAL 58 -5.565 9.952 -1.672 485 HG11 VAL 58 HG11 VAL 58 -3.985 7.486 -2.442 486 HG12 VAL 58 HG12 VAL 58 -5.030 8.436 -3.484 487 HG13 VAL 58 HG13 VAL 58 -5.719 7.487 -2.172 488 HG21 VAL 58 HG21 VAL 58 -4.894 9.627 0.579 489 HG22 VAL 58 HG22 VAL 58 -3.737 8.378 0.149 490 HG23 VAL 58 HG23 VAL 58 -5.466 8.044 0.064 491 H GLN 59 H GLN 59 -4.912 11.723 -2.993 492 HA GLN 59 HA GLN 59 -4.440 10.972 -5.690 493 HB2 GLN 59 HB2 GLN 59 -5.348 13.752 -5.014 494 HB3 GLN 59 HB3 GLN 59 -5.939 12.646 -6.256 495 HG2 GLN 59 HG2 GLN 59 -6.705 11.197 -4.176 496 HG3 GLN 59 HG3 GLN 59 -6.592 12.729 -3.319 497 HE21 GLN 59 HE21 GLN 59 -8.444 14.003 -3.399 498 HE22 GLN 59 HE22 GLN 59 -9.664 13.867 -4.572 499 H ASP 60 H ASP 60 -2.952 13.281 -3.516 500 HA ASP 60 HA ASP 60 -1.420 14.616 -5.548 501 HB2 ASP 60 HB2 ASP 60 -2.139 15.519 -3.236 502 HB3 ASP 60 HB3 ASP 60 -0.773 14.605 -2.603 503 H SER 61 H SER 61 -0.949 11.815 -3.503 504 HA SER 61 HA SER 61 1.887 11.700 -3.697 505 HB2 SER 61 HB2 SER 61 1.079 10.388 -1.960 506 HB3 SER 61 HB3 SER 61 -0.268 9.772 -2.916 507 HG SER 61 HG SER 61 2.386 9.210 -3.662 508 H MET 62 H MET 62 -0.662 9.909 -5.485 509 HA MET 62 HA MET 62 1.211 8.613 -7.200 510 HB2 MET 62 HB2 MET 62 -0.859 8.190 -8.635 511 HB3 MET 62 HB3 MET 62 -0.901 7.556 -6.990 512 HG2 MET 62 HG2 MET 62 -2.369 9.224 -6.250 513 HG3 MET 62 HG3 MET 62 -1.995 10.295 -7.593 514 HE1 MET 62 HE1 MET 62 -3.424 6.783 -6.655 515 HE2 MET 62 HE2 MET 62 -5.050 6.970 -7.308 516 HE3 MET 62 HE3 MET 62 -4.466 8.095 -6.084 517 H LYS 63 H LYS 63 -0.567 11.642 -7.370 518 HA LYS 63 HA LYS 63 -0.088 12.196 -10.102 519 HB2 LYS 63 HB2 LYS 63 -1.763 13.457 -8.881 520 HB3 LYS 63 HB3 LYS 63 -0.550 14.045 -7.745 521 HG2 LYS 63 HG2 LYS 63 -1.168 15.723 -9.505 522 HG3 LYS 63 HG3 LYS 63 0.548 15.330 -9.493 523 HD2 LYS 63 HD2 LYS 63 0.389 14.018 -11.449 524 HD3 LYS 63 HD3 LYS 63 -1.359 13.832 -11.293 525 HE2 LYS 63 HE2 LYS 63 -1.614 16.276 -11.735 526 HE3 LYS 63 HE3 LYS 63 0.128 16.380 -11.993 527 HZ1 LYS 63 HZ1 LYS 63 -0.375 14.425 -13.635 528 HZ2 LYS 63 HZ2 LYS 63 -0.582 16.042 -14.113 529 HZ3 LYS 63 HZ3 LYS 63 -1.926 15.111 -13.650 530 H TYR 64 H TYR 64 1.704 12.886 -7.139 531 HA TYR 64 HA TYR 64 3.756 14.447 -8.305 532 HB2 TYR 64 HB2 TYR 64 3.994 14.682 -6.043 533 HB3 TYR 64 HB3 TYR 64 3.182 13.155 -5.730 534 HD1 TYR 64 HD1 TYR 64 6.402 14.158 -7.404 535 HD2 TYR 64 HD2 TYR 64 4.482 11.704 -4.442 536 HE1 TYR 64 HE1 TYR 64 8.584 13.127 -6.839 537 HE2 TYR 64 HE2 TYR 64 6.662 10.681 -3.874 538 HH TYR 64 HH TYR 64 9.642 11.627 -5.600 539 H LEU 65 H LEU 65 3.207 11.004 -8.007 540 HA LEU 65 HA LEU 65 5.825 10.223 -8.883 541 HB2 LEU 65 HB2 LEU 65 3.206 8.809 -8.434 542 HB3 LEU 65 HB3 LEU 65 4.504 7.979 -9.287 543 HG LEU 65 HG LEU 65 5.146 9.359 -6.686 544 HD11 LEU 65 HD11 LEU 65 3.309 8.146 -5.878 545 HD12 LEU 65 HD12 LEU 65 4.649 7.029 -5.619 546 HD13 LEU 65 HD13 LEU 65 3.574 6.812 -6.997 547 HD21 LEU 65 HD21 LEU 65 6.832 8.229 -8.274 548 HD22 LEU 65 HD22 LEU 65 6.108 6.705 -7.775 549 HD23 LEU 65 HD23 LEU 65 6.895 7.739 -6.584 550 H ASP 66 H ASP 66 2.974 11.317 -10.408 551 HA ASP 66 HA ASP 66 3.230 10.041 -12.925 552 HB2 ASP 66 HB2 ASP 66 1.248 11.383 -11.904 553 HB3 ASP 66 HB3 ASP 66 2.064 12.795 -12.564 554 H GLN 67 H GLN 67 4.383 13.167 -11.688 555 HA GLN 67 HA GLN 67 5.460 14.220 -14.022 556 HB2 GLN 67 HB2 GLN 67 6.652 14.466 -11.251 557 HB3 GLN 67 HB3 GLN 67 6.860 15.587 -12.597 558 HG2 GLN 67 HG2 GLN 67 4.429 16.038 -12.592 559 HG3 GLN 67 HG3 GLN 67 4.233 14.937 -11.229 560 HE21 GLN 67 HE21 GLN 67 4.742 15.727 -9.129 561 HE22 GLN 67 HE22 GLN 67 5.299 17.304 -8.840 562 H LYS 68 H LYS 68 7.154 12.258 -11.560 563 HA LYS 68 HA LYS 68 9.482 11.974 -13.257 564 HB2 LYS 68 HB2 LYS 68 10.342 10.559 -11.429 565 HB3 LYS 68 HB3 LYS 68 9.753 12.110 -10.831 566 HG2 LYS 68 HG2 LYS 68 7.507 10.879 -10.435 567 HG3 LYS 68 HG3 LYS 68 8.445 9.397 -10.618 568 HD2 LYS 68 HD2 LYS 68 9.077 11.606 -8.639 569 HD3 LYS 68 HD3 LYS 68 8.250 10.101 -8.237 570 HE2 LYS 68 HE2 LYS 68 10.505 9.665 -7.689 571 HE3 LYS 68 HE3 LYS 68 10.311 8.923 -9.277 572 HZ1 LYS 68 HZ1 LYS 68 11.769 10.326 -10.158 573 HZ2 LYS 68 HZ2 LYS 68 12.174 10.798 -8.577 574 HZ3 LYS 68 HZ3 LYS 68 11.023 11.680 -9.461 575 H SER 69 H SER 69 10.374 9.570 -13.279 576 HA SER 69 HA SER 69 8.263 7.869 -14.495 577 HB2 SER 69 HB2 SER 69 9.946 8.687 -16.098 578 HB3 SER 69 HB3 SER 69 11.223 7.984 -15.111 579 HG SER 69 HG SER 69 9.441 6.795 -16.837 580 HA PRO 70 HA PRO 70 9.976 5.457 -10.967 581 HB2 PRO 70 HB2 PRO 70 7.656 4.684 -9.824 582 HB3 PRO 70 HB3 PRO 70 8.305 6.321 -9.595 583 HG2 PRO 70 HG2 PRO 70 6.102 5.395 -11.380 584 HG3 PRO 70 HG3 PRO 70 6.234 6.887 -10.433 585 HD2 PRO 70 HD2 PRO 70 6.789 6.669 -13.177 586 HD3 PRO 70 HD3 PRO 70 7.343 7.993 -12.129 587 H THR 71 H THR 71 6.966 3.811 -11.317 588 HA THR 71 HA THR 71 8.105 1.333 -11.925 589 HB THR 71 HB THR 71 5.697 0.751 -12.632 590 HG1 THR 71 HG1 THR 71 4.314 2.553 -11.721 591 HG21 THR 71 HG21 THR 71 6.355 0.229 -10.409 592 HG22 THR 71 HG22 THR 71 4.869 1.164 -10.236 593 HG23 THR 71 HG23 THR 71 6.432 1.931 -9.950 594 HA PRO 72 HA PRO 72 8.796 1.650 -16.302 595 HB2 PRO 72 HB2 PRO 72 8.661 -0.961 -17.077 596 HB3 PRO 72 HB3 PRO 72 9.997 -0.330 -16.092 597 HG2 PRO 72 HG2 PRO 72 7.566 -1.840 -15.224 598 HG3 PRO 72 HG3 PRO 72 9.255 -2.051 -14.726 599 HD2 PRO 72 HD2 PRO 72 7.445 -0.682 -13.204 600 HD3 PRO 72 HD3 PRO 72 9.175 -0.276 -13.223 601 H LYS 73 H LYS 73 6.176 -0.672 -15.568 602 HA LYS 73 HA LYS 73 4.794 -0.427 -17.986 603 HB2 LYS 73 HB2 LYS 73 2.853 -1.335 -16.730 604 HB3 LYS 73 HB3 LYS 73 4.337 -2.225 -16.395 605 HG2 LYS 73 HG2 LYS 73 4.632 -0.649 -14.383 606 HG3 LYS 73 HG3 LYS 73 2.952 -0.185 -14.649 607 HD2 LYS 73 HD2 LYS 73 3.996 -2.972 -14.070 608 HD3 LYS 73 HD3 LYS 73 2.998 -1.975 -13.011 609 HE2 LYS 73 HE2 LYS 73 1.445 -3.443 -14.013 610 HE3 LYS 73 HE3 LYS 73 1.292 -1.971 -14.970 611 HZ1 LYS 73 HZ1 LYS 73 1.833 -4.459 -15.933 612 HZ2 LYS 73 HZ2 LYS 73 3.356 -3.704 -15.933 613 HZ3 LYS 73 HZ3 LYS 73 2.055 -3.000 -16.771 614 HA PRO 74 HA PRO 74 2.961 3.606 -17.589 615 HB2 PRO 74 HB2 PRO 74 0.778 3.375 -19.212 616 HB3 PRO 74 HB3 PRO 74 2.438 3.427 -19.845 617 HG2 PRO 74 HG2 PRO 74 0.674 1.059 -19.367 618 HG3 PRO 74 HG3 PRO 74 1.714 1.423 -20.757 619 HD2 PRO 74 HD2 PRO 74 2.477 -0.293 -18.774 620 HD3 PRO 74 HD3 PRO 74 3.643 0.698 -19.676 621 H1 VAL 208 H1 VAL 208 -8.705 5.796 17.834 622 H2 VAL 208 H2 VAL 208 -8.159 6.388 16.339 623 H3 VAL 208 H3 VAL 208 -9.457 5.293 16.400 624 HA VAL 208 HA VAL 208 -10.935 6.900 16.682 625 HB VAL 208 HB VAL 208 -10.659 8.578 18.496 626 HG11 VAL 208 HG11 VAL 208 -9.833 5.777 19.317 627 HG12 VAL 208 HG12 VAL 208 -11.490 6.278 18.977 628 HG13 VAL 208 HG13 VAL 208 -10.620 6.976 20.344 629 HG21 VAL 208 HG21 VAL 208 -7.902 7.326 18.648 630 HG22 VAL 208 HG22 VAL 208 -8.593 8.305 19.943 631 HG23 VAL 208 HG23 VAL 208 -8.292 9.022 18.360 632 H GLU 209 H GLU 209 -11.094 9.455 16.557 633 HA GLU 209 HA GLU 209 -10.710 11.323 15.277 634 HB2 GLU 209 HB2 GLU 209 -8.587 11.265 16.684 635 HB3 GLU 209 HB3 GLU 209 -7.800 10.520 15.293 636 HG2 GLU 209 HG2 GLU 209 -7.405 12.879 15.114 637 HG3 GLU 209 HG3 GLU 209 -8.631 12.481 13.911 638 H THR 210 H THR 210 -10.549 11.935 13.119 639 HA THR 210 HA THR 210 -10.817 9.900 11.186 640 HB THR 210 HB THR 210 -10.906 11.671 9.566 641 HG1 THR 210 HG1 THR 210 -10.310 13.791 11.053 642 HG21 THR 210 HG21 THR 210 -12.796 11.545 11.155 643 HG22 THR 210 HG22 THR 210 -12.511 13.203 10.624 644 HG23 THR 210 HG23 THR 210 -11.968 12.682 12.218 645 H PHE 211 H PHE 211 -9.449 9.611 9.256 646 HA PHE 211 HA PHE 211 -6.758 9.023 9.988 647 HB2 PHE 211 HB2 PHE 211 -8.405 8.834 7.490 648 HB3 PHE 211 HB3 PHE 211 -6.653 8.764 7.319 649 HD1 PHE 211 HD1 PHE 211 -8.605 7.511 10.243 650 HD2 PHE 211 HD2 PHE 211 -6.391 6.470 6.708 651 HE1 PHE 211 HE1 PHE 211 -8.602 5.137 10.941 652 HE2 PHE 211 HE2 PHE 211 -6.389 4.096 7.414 653 HZ PHE 211 HZ PHE 211 -7.493 3.430 9.527 654 H GLY 212 H GLY 212 -5.756 10.912 10.652 655 HA2 GLY 212 HA2 GLY 212 -4.161 12.328 8.988 656 HA3 GLY 212 HA3 GLY 212 -5.663 13.248 8.941 657 H THR 213 H THR 213 -2.926 13.821 10.096 658 HA THR 213 HA THR 213 -3.874 15.043 12.545 659 HB THR 213 HB THR 213 -1.695 12.941 12.638 660 HG1 THR 213 HG1 THR 213 -3.174 11.725 13.508 661 HG21 THR 213 HG21 THR 213 -1.826 13.513 15.132 662 HG22 THR 213 HG22 THR 213 -2.679 14.977 14.641 663 HG23 THR 213 HG23 THR 213 -1.024 14.696 14.098 664 H THR 214 H THR 214 -0.535 14.137 11.937 665 HA THR 214 HA THR 214 0.151 16.579 10.581 666 HB THR 214 HB THR 214 1.040 16.270 13.458 667 HG1 THR 214 HG1 THR 214 -0.699 17.332 13.883 668 HG21 THR 214 HG21 THR 214 2.740 17.334 12.101 669 HG22 THR 214 HG22 THR 214 1.933 18.581 13.051 670 HG23 THR 214 HG23 THR 214 1.539 18.381 11.344 671 H SER 215 H SER 215 1.231 15.275 9.130 672 HA SER 215 HA SER 215 2.990 14.090 8.254 673 HB2 SER 215 HB2 SER 215 4.494 14.723 10.789 674 HB3 SER 215 HB3 SER 215 5.141 14.464 9.172 675 HG SER 215 HG SER 215 4.112 16.718 10.320 676 H TYS 216 H TYS 216 3.290 11.967 8.101 677 HA TYS 216 HA TYS 216 2.407 10.234 10.206 678 HB2 TYS 216 HB2 TYS 216 2.004 9.770 7.805 679 HB3 TYS 216 HB1 TYS 216 3.733 9.629 7.548 680 HD1 TYS 216 HD1 TYS 216 3.948 7.420 6.832 681 HD2 TYS 216 HD2 TYS 216 1.724 8.186 10.428 682 HE1 TYS 216 HE1 TYS 216 3.849 4.989 7.292 683 HE2 TYS 216 HE2 TYS 216 1.634 5.770 10.889 684 H TYS 217 H TYS 217 4.247 8.091 10.084 685 HA TYS 217 HA TYS 217 6.158 7.370 11.147 686 HB2 TYS 217 HB2 TYS 217 7.117 9.828 9.682 687 HB3 TYS 217 HB1 TYS 217 8.212 8.969 10.761 688 HD1 TYS 217 HD1 TYS 217 5.679 8.172 8.154 689 HD2 TYS 217 HD2 TYS 217 9.541 7.307 9.774 690 HE1 TYS 217 HE1 TYS 217 6.007 6.444 6.402 691 HE2 TYS 217 HE2 TYS 217 9.902 5.598 8.015 692 H ASP 218 H ASP 218 6.995 10.763 11.573 693 HA ASP 218 HA ASP 218 7.285 12.033 13.466 694 HB2 ASP 218 HB2 ASP 218 4.778 11.642 13.541 695 HB3 ASP 218 HB3 ASP 218 5.101 10.342 14.686 696 H ASP 219 H ASP 219 8.787 9.540 13.116 697 HA ASP 219 HA ASP 219 9.860 9.354 15.799 698 HB2 ASP 219 HB2 ASP 219 8.530 6.987 14.475 699 HB3 ASP 219 HB3 ASP 219 9.688 6.829 15.794 700 H VAL 220 H VAL 220 9.846 8.207 12.470 701 HA VAL 220 HA VAL 220 11.536 7.816 10.977 702 HB VAL 220 HB VAL 220 13.473 8.959 12.991 703 HG11 VAL 220 HG11 VAL 220 14.771 9.506 11.068 704 HG12 VAL 220 HG12 VAL 220 13.424 9.183 9.977 705 HG13 VAL 220 HG13 VAL 220 14.222 7.849 10.810 706 HG21 VAL 220 HG21 VAL 220 11.473 10.344 11.190 707 HG22 VAL 220 HG22 VAL 220 12.945 11.148 11.735 708 HG23 VAL 220 HG23 VAL 220 11.750 10.607 12.913 709 H GLY 221 H GLY 221 12.192 6.913 14.330 710 HA2 GLY 221 HA2 GLY 221 14.071 4.843 13.615 711 HA3 GLY 221 HA3 GLY 221 13.394 5.135 15.215 712 H LEU 222 H LEU 222 10.760 5.129 13.370 713 HA LEU 222 HA LEU 222 9.624 2.803 14.276 714 HB2 LEU 222 HB2 LEU 222 8.298 4.511 13.184 715 HB3 LEU 222 HB3 LEU 222 9.139 4.251 11.660 716 HG LEU 222 HG LEU 222 8.201 2.012 11.462 717 HD11 LEU 222 HD11 LEU 222 7.232 2.572 14.268 718 HD12 LEU 222 HD12 LEU 222 8.095 1.159 13.660 719 HD13 LEU 222 HD13 LEU 222 6.400 1.398 13.247 720 HD21 LEU 222 HD21 LEU 222 6.822 3.901 10.679 721 HD22 LEU 222 HD22 LEU 222 6.090 4.033 12.278 722 HD23 LEU 222 HD23 LEU 222 5.806 2.596 11.295 723 H LEU 223 H LEU 223 11.591 3.271 11.374 724 HA LEU 223 HA LEU 223 11.279 0.895 10.044 725 HB2 LEU 223 HB2 LEU 223 12.880 2.936 9.615 726 HB3 LEU 223 HB3 LEU 223 14.062 1.961 10.484 727 HG LEU 223 HG LEU 223 12.520 1.105 8.013 728 HD11 LEU 223 HD11 LEU 223 15.489 1.591 8.361 729 HD12 LEU 223 HD12 LEU 223 14.378 2.802 7.719 730 HD13 LEU 223 HD13 LEU 223 14.623 1.284 6.856 731 HD21 LEU 223 HD21 LEU 223 12.887 -0.883 9.241 732 HD22 LEU 223 HD22 LEU 223 14.447 -0.327 9.850 733 HD23 LEU 223 HD23 LEU 223 14.278 -0.810 8.162 Start of MODEL 20 1 H1 GLY 1 H1 GLY 1 -6.022 -3.999 -11.381 2 H2 GLY 1 H2 GLY 1 -7.711 -3.893 -11.230 3 H3 GLY 1 H3 GLY 1 -6.852 -2.685 -12.060 4 HA2 GLY 1 HA2 GLY 1 -8.014 -4.217 -13.572 5 HA3 GLY 1 HA3 GLY 1 -6.266 -4.198 -13.806 6 HA PRO 2 HA PRO 2 -7.962 -8.626 -13.395 7 HB2 PRO 2 HB2 PRO 2 -5.666 -8.812 -15.329 8 HB3 PRO 2 HB3 PRO 2 -7.214 -9.684 -15.333 9 HG2 PRO 2 HG2 PRO 2 -6.807 -7.638 -16.977 10 HG3 PRO 2 HG3 PRO 2 -8.380 -7.877 -16.194 11 HD2 PRO 2 HD2 PRO 2 -6.269 -5.842 -15.593 12 HD3 PRO 2 HD3 PRO 2 -8.034 -5.724 -15.407 13 H ALA 3 H ALA 3 -7.267 -9.502 -11.529 14 HA ALA 3 HA ALA 3 -5.886 -10.132 -9.795 15 HB1 ALA 3 HB1 ALA 3 -3.980 -11.465 -10.454 16 HB2 ALA 3 HB2 ALA 3 -3.958 -10.719 -12.052 17 HB3 ALA 3 HB3 ALA 3 -5.295 -11.774 -11.589 18 H SER 4 H SER 4 -3.404 -9.960 -9.062 19 HA SER 4 HA SER 4 -2.005 -7.601 -9.874 20 HB2 SER 4 HB2 SER 4 -2.312 -6.431 -7.634 21 HB3 SER 4 HB3 SER 4 -3.689 -6.369 -8.731 22 HG SER 4 HG SER 4 -4.525 -8.198 -7.580 23 H VAL 5 H VAL 5 -2.457 -8.885 -6.595 24 HA VAL 5 HA VAL 5 -0.224 -10.635 -6.650 25 HB VAL 5 HB VAL 5 1.081 -8.602 -6.837 26 HG11 VAL 5 HG11 VAL 5 0.091 -7.583 -4.184 27 HG12 VAL 5 HG12 VAL 5 -0.848 -7.238 -5.635 28 HG13 VAL 5 HG13 VAL 5 0.826 -6.701 -5.519 29 HG21 VAL 5 HG21 VAL 5 1.699 -10.547 -5.202 30 HG22 VAL 5 HG22 VAL 5 1.331 -9.379 -3.933 31 HG23 VAL 5 HG23 VAL 5 2.602 -9.037 -5.103 32 HA PRO 6 HA PRO 6 -3.494 -11.128 -3.335 33 HB2 PRO 6 HB2 PRO 6 -2.499 -13.916 -3.869 34 HB3 PRO 6 HB3 PRO 6 -4.158 -13.348 -3.578 35 HG2 PRO 6 HG2 PRO 6 -3.348 -13.941 -6.032 36 HG3 PRO 6 HG3 PRO 6 -4.400 -12.544 -5.738 37 HD2 PRO 6 HD2 PRO 6 -1.471 -12.595 -6.368 38 HD3 PRO 6 HD3 PRO 6 -2.697 -11.387 -6.813 39 H THR 7 H THR 7 -2.150 -10.077 -1.795 40 HA THR 7 HA THR 7 -0.885 -11.819 0.085 41 HB THR 7 HB THR 7 0.892 -9.971 -1.526 42 HG1 THR 7 HG1 THR 7 1.530 -11.738 -2.459 43 HG21 THR 7 HG21 THR 7 1.605 -9.811 0.741 44 HG22 THR 7 HG22 THR 7 2.670 -11.001 -0.008 45 HG23 THR 7 HG23 THR 7 1.339 -11.532 1.021 46 H THR 8 H THR 8 -0.514 -8.429 -0.989 47 HA THR 8 HA THR 8 -0.633 -7.435 1.704 48 HB THR 8 HB THR 8 0.668 -6.259 0.000 49 HG1 THR 8 HG1 THR 8 -1.174 -5.186 1.577 50 HG21 THR 8 HG21 THR 8 -0.974 -6.907 -1.859 51 HG22 THR 8 HG22 THR 8 -0.309 -5.274 -1.931 52 HG23 THR 8 HG23 THR 8 -1.946 -5.534 -1.327 53 H CYS 9 H CYS 9 -2.275 -6.194 2.652 54 HA CYS 9 HA CYS 9 -4.750 -5.607 1.388 55 HB2 CYS 9 HB2 CYS 9 -4.807 -8.167 1.665 56 HB3 CYS 9 HB3 CYS 9 -4.971 -7.848 3.391 57 H CYS 10 H CYS 10 -2.740 -5.936 4.177 58 HA CYS 10 HA CYS 10 -2.838 -5.026 6.305 59 HB2 CYS 10 HB2 CYS 10 -2.862 -2.647 6.263 60 HB3 CYS 10 HB3 CYS 10 -2.188 -3.155 4.714 61 H PHE 11 H PHE 11 -4.427 -3.017 7.386 62 HA PHE 11 HA PHE 11 -6.798 -4.522 8.044 63 HB2 PHE 11 HB2 PHE 11 -5.946 -1.745 8.899 64 HB3 PHE 11 HB3 PHE 11 -7.242 -2.699 9.622 65 HD1 PHE 11 HD2 PHE 11 -6.744 -4.729 10.923 66 HD2 PHE 11 HD1 PHE 11 -3.611 -2.291 9.284 67 HE1 PHE 11 HE2 PHE 11 -5.095 -5.865 12.387 68 HE2 PHE 11 HE1 PHE 11 -1.962 -3.425 10.748 69 HZ PHE 11 HZ PHE 11 -2.704 -5.213 12.299 70 H ASN 12 H ASN 12 -6.371 -1.148 6.938 71 HA ASN 12 HA ASN 12 -8.520 -1.458 4.998 72 HB2 ASN 12 HB2 ASN 12 -8.780 0.469 7.317 73 HB3 ASN 12 HB3 ASN 12 -9.861 0.386 5.928 74 HD21 ASN 12 HD21 ASN 12 -9.589 -0.646 9.091 75 HD22 ASN 12 HD22 ASN 12 -10.573 -2.027 9.011 76 H LEU 13 H LEU 13 -8.086 1.698 6.228 77 HA LEU 13 HA LEU 13 -6.214 2.369 4.018 78 HB2 LEU 13 HB2 LEU 13 -8.146 4.384 5.141 79 HB3 LEU 13 HB3 LEU 13 -7.423 4.299 3.536 80 HG LEU 13 HG LEU 13 -9.506 2.353 4.579 81 HD11 LEU 13 HD11 LEU 13 -11.071 3.540 3.122 82 HD12 LEU 13 HD12 LEU 13 -9.801 4.671 2.653 83 HD13 LEU 13 HD13 LEU 13 -10.393 4.650 4.314 84 HD21 LEU 13 HD21 LEU 13 -9.640 1.654 2.229 85 HD22 LEU 13 HD22 LEU 13 -7.987 1.474 2.806 86 HD23 LEU 13 HD23 LEU 13 -8.417 2.844 1.788 87 H ALA 14 H ALA 14 -4.817 4.211 4.406 88 HA ALA 14 HA ALA 14 -3.533 4.120 6.924 89 HB1 ALA 14 HB1 ALA 14 -3.362 6.358 4.892 90 HB2 ALA 14 HB2 ALA 14 -2.469 4.842 4.760 91 HB3 ALA 14 HB3 ALA 14 -2.163 5.931 6.113 92 H ASN 15 H ASN 15 -3.222 7.126 7.059 93 HA ASN 15 HA ASN 15 -5.632 8.407 7.610 94 HB2 ASN 15 HB2 ASN 15 -5.398 8.225 10.231 95 HB3 ASN 15 HB3 ASN 15 -6.259 6.974 9.339 96 HD21 ASN 15 HD21 ASN 15 -5.622 5.554 11.244 97 HD22 ASN 15 HD22 ASN 15 -4.075 4.853 11.239 98 H ARG 16 H ARG 16 -2.590 8.588 6.990 99 HA ARG 16 HA ARG 16 -2.241 11.185 8.312 100 HB2 ARG 16 HB2 ARG 16 -0.243 8.922 8.516 101 HB3 ARG 16 HB3 ARG 16 0.097 10.600 8.949 102 HG2 ARG 16 HG2 ARG 16 -1.884 10.495 10.528 103 HG3 ARG 16 HG3 ARG 16 -1.964 8.764 10.210 104 HD2 ARG 16 HD2 ARG 16 0.031 8.329 11.332 105 HD3 ARG 16 HD3 ARG 16 0.654 9.958 11.091 106 HE ARG 16 HE ARG 16 -0.946 9.058 13.288 107 HH11 ARG 16 HH21 ARG 16 -0.264 11.729 11.197 108 HH12 ARG 16 HH22 ARG 16 -0.734 12.932 12.352 109 HH21 ARG 16 HH11 ARG 16 -1.563 10.630 14.808 110 HH22 ARG 16 HH12 ARG 16 -1.468 12.309 14.397 111 H LYS 17 H LYS 17 0.735 10.395 7.279 112 HA LYS 17 HA LYS 17 0.351 10.753 4.415 113 HB2 LYS 17 HB2 LYS 17 0.093 13.040 5.195 114 HB3 LYS 17 HB3 LYS 17 1.602 12.927 6.102 115 HG2 LYS 17 HG2 LYS 17 2.921 12.829 4.154 116 HG3 LYS 17 HG3 LYS 17 1.560 12.360 3.139 117 HD2 LYS 17 HD2 LYS 17 1.999 14.644 2.631 118 HD3 LYS 17 HD3 LYS 17 0.564 14.663 3.646 119 HE2 LYS 17 HE2 LYS 17 1.931 15.191 5.607 120 HE3 LYS 17 HE3 LYS 17 3.397 15.090 4.631 121 HZ1 LYS 17 HZ1 LYS 17 3.108 17.171 3.976 122 HZ2 LYS 17 HZ2 LYS 17 1.778 17.305 5.024 123 HZ3 LYS 17 HZ3 LYS 17 1.545 16.833 3.408 124 H ILE 18 H ILE 18 1.648 9.131 3.827 125 HA ILE 18 HA ILE 18 4.056 8.411 5.133 126 HB ILE 18 HB ILE 18 2.675 7.728 2.568 127 HG12 ILE 18 HG12 ILE 18 2.293 6.679 4.924 128 HG13 ILE 18 HG13 ILE 18 2.371 5.625 3.520 129 HG21 ILE 18 HG21 ILE 18 5.544 6.984 3.162 130 HG22 ILE 18 HG22 ILE 18 4.915 7.797 1.732 131 HG23 ILE 18 HG23 ILE 18 4.531 6.103 2.025 132 HD11 ILE 18 HD11 ILE 18 3.707 4.831 5.512 133 HD12 ILE 18 HD12 ILE 18 4.768 6.215 5.281 134 HD13 ILE 18 HD13 ILE 18 4.642 4.984 4.029 135 HA PRO 19 HA PRO 19 6.618 11.702 3.430 136 HB2 PRO 19 HB2 PRO 19 9.099 10.453 3.537 137 HB3 PRO 19 HB3 PRO 19 8.309 11.222 4.927 138 HG2 PRO 19 HG2 PRO 19 8.352 8.339 4.145 139 HG3 PRO 19 HG3 PRO 19 8.567 9.066 5.742 140 HD2 PRO 19 HD2 PRO 19 6.245 7.973 5.069 141 HD3 PRO 19 HD3 PRO 19 6.274 9.471 6.017 142 H LEU 20 H LEU 20 7.280 12.298 1.390 143 HA LEU 20 HA LEU 20 6.786 10.486 -0.753 144 HB2 LEU 20 HB2 LEU 20 7.542 13.352 -0.491 145 HB3 LEU 20 HB3 LEU 20 7.989 12.581 -2.010 146 HG LEU 20 HG LEU 20 5.580 11.774 -2.190 147 HD11 LEU 20 HD11 LEU 20 3.914 12.649 -0.778 148 HD12 LEU 20 HD12 LEU 20 4.969 13.920 -0.155 149 HD13 LEU 20 HD13 LEU 20 5.216 12.248 0.340 150 HD21 LEU 20 HD21 LEU 20 4.787 13.877 -3.072 151 HD22 LEU 20 HD22 LEU 20 6.520 13.782 -3.383 152 HD23 LEU 20 HD23 LEU 20 5.915 14.783 -2.064 153 H GLN 21 H GLN 21 9.720 11.833 0.669 154 HA GLN 21 HA GLN 21 11.645 11.066 -1.124 155 HB2 GLN 21 HB2 GLN 21 13.097 10.700 0.988 156 HB3 GLN 21 HB3 GLN 21 12.379 12.292 0.738 157 HG2 GLN 21 HG2 GLN 21 10.559 11.771 2.261 158 HG3 GLN 21 HG3 GLN 21 11.131 10.111 2.428 159 HE21 GLN 21 HE21 GLN 21 13.614 10.053 3.162 160 HE22 GLN 21 HE22 GLN 21 14.008 11.125 4.418 161 H ARG 22 H ARG 22 10.090 9.000 1.314 162 HA ARG 22 HA ARG 22 11.716 6.705 0.573 163 HB2 ARG 22 HB2 ARG 22 9.450 7.101 2.526 164 HB3 ARG 22 HB3 ARG 22 10.242 5.547 2.272 165 HG2 ARG 22 HG2 ARG 22 12.213 6.215 3.284 166 HG3 ARG 22 HG3 ARG 22 12.041 7.892 2.773 167 HD2 ARG 22 HD2 ARG 22 10.756 8.462 4.609 168 HD3 ARG 22 HD3 ARG 22 10.056 6.855 4.763 169 HE ARG 22 HE ARG 22 11.743 6.377 6.257 170 HH11 ARG 22 HH21 ARG 22 12.739 8.893 4.097 171 HH12 ARG 22 HH22 ARG 22 14.297 9.091 4.827 172 HH21 ARG 22 HH11 ARG 22 13.783 6.630 7.215 173 HH22 ARG 22 HH12 ARG 22 14.888 7.811 6.592 174 H LEU 23 H LEU 23 8.261 7.581 0.361 175 HA LEU 23 HA LEU 23 7.130 5.355 -0.686 176 HB2 LEU 23 HB2 LEU 23 5.632 7.101 -0.431 177 HB3 LEU 23 HB3 LEU 23 6.722 8.273 -1.125 178 HG LEU 23 HG LEU 23 4.668 7.820 -2.467 179 HD11 LEU 23 HD11 LEU 23 6.693 6.983 -4.406 180 HD12 LEU 23 HD12 LEU 23 7.265 8.284 -3.367 181 HD13 LEU 23 HD13 LEU 23 5.787 8.489 -4.291 182 HD21 LEU 23 HD21 LEU 23 5.554 5.388 -3.765 183 HD22 LEU 23 HD22 LEU 23 4.022 5.743 -2.999 184 HD23 LEU 23 HD23 LEU 23 5.341 5.096 -2.044 185 H GLU 24 H GLU 24 7.109 4.218 -2.588 186 HA GLU 24 HA GLU 24 9.153 4.946 -4.603 187 HB2 GLU 24 HB2 GLU 24 9.550 2.806 -3.543 188 HB3 GLU 24 HB3 GLU 24 7.906 2.285 -3.902 189 HG2 GLU 24 HG2 GLU 24 8.323 2.175 -6.231 190 HG3 GLU 24 HG3 GLU 24 9.798 3.131 -6.096 191 H SER 25 H SER 25 6.084 3.098 -4.615 192 HA SER 25 HA SER 25 5.074 4.739 -6.824 193 HB2 SER 25 HB2 SER 25 6.442 2.791 -7.768 194 HB3 SER 25 HB3 SER 25 5.183 1.739 -7.128 195 HG SER 25 HG SER 25 4.184 2.213 -8.914 196 H TYR 26 H TYR 26 2.930 3.127 -7.561 197 HA TYR 26 HA TYR 26 1.480 2.518 -5.072 198 HB2 TYR 26 HB2 TYR 26 -0.367 3.915 -5.579 199 HB3 TYR 26 HB3 TYR 26 1.061 4.925 -5.780 200 HD1 TYR 26 HD1 TYR 26 -1.663 3.153 -7.499 201 HD2 TYR 26 HD2 TYR 26 1.817 5.619 -8.007 202 HE1 TYR 26 HE1 TYR 26 -2.326 3.604 -9.846 203 HE2 TYR 26 HE2 TYR 26 1.155 6.073 -10.352 204 HH TYR 26 HH TYR 26 -0.233 5.474 -12.018 205 H ARG 27 H ARG 27 -0.630 1.422 -5.509 206 HA ARG 27 HA ARG 27 -1.158 0.280 -8.078 207 HB2 ARG 27 HB2 ARG 27 0.901 -0.997 -7.312 208 HB3 ARG 27 HB3 ARG 27 -0.095 -1.649 -6.013 209 HG2 ARG 27 HG2 ARG 27 -1.715 -2.118 -8.206 210 HG3 ARG 27 HG3 ARG 27 -0.114 -2.306 -8.916 211 HD2 ARG 27 HD2 ARG 27 -1.256 -3.795 -6.541 212 HD3 ARG 27 HD3 ARG 27 -0.823 -4.464 -8.112 213 HE ARG 27 HE ARG 27 0.967 -3.958 -5.927 214 HH11 ARG 27 HH21 ARG 27 0.642 -4.017 -9.371 215 HH12 ARG 27 HH22 ARG 27 2.318 -4.341 -9.663 216 HH21 ARG 27 HH11 ARG 27 3.167 -4.383 -6.300 217 HH22 ARG 27 HH12 ARG 27 3.748 -4.548 -7.924 218 H ARG 28 H ARG 28 -3.168 -0.706 -8.146 219 HA ARG 28 HA ARG 28 -4.866 -0.281 -5.844 220 HB2 ARG 28 HB2 ARG 28 -5.243 -0.989 -8.717 221 HB3 ARG 28 HB3 ARG 28 -6.508 -1.518 -7.610 222 HG2 ARG 28 HG2 ARG 28 -6.981 0.706 -6.916 223 HG3 ARG 28 HG3 ARG 28 -5.489 1.328 -7.618 224 HD2 ARG 28 HD2 ARG 28 -6.345 0.726 -9.880 225 HD3 ARG 28 HD3 ARG 28 -7.859 0.209 -9.142 226 HE ARG 28 HE ARG 28 -7.123 2.920 -8.468 227 HH11 ARG 28 HH21 ARG 28 -8.644 0.824 -10.763 228 HH12 ARG 28 HH22 ARG 28 -9.673 2.055 -11.413 229 HH21 ARG 28 HH11 ARG 28 -8.470 4.541 -9.316 230 HH22 ARG 28 HH12 ARG 28 -9.575 4.160 -10.593 231 H ILE 29 H ILE 29 -6.285 -1.934 -4.959 232 HA ILE 29 HA ILE 29 -4.860 -4.489 -4.632 233 HB ILE 29 HB ILE 29 -7.293 -3.915 -2.982 234 HG12 ILE 29 HG12 ILE 29 -4.776 -2.237 -2.891 235 HG13 ILE 29 HG13 ILE 29 -6.439 -1.690 -3.025 236 HG21 ILE 29 HG21 ILE 29 -5.957 -4.911 -1.244 237 HG22 ILE 29 HG22 ILE 29 -4.484 -4.733 -2.196 238 HG23 ILE 29 HG23 ILE 29 -5.725 -5.879 -2.700 239 HD11 ILE 29 HD11 ILE 29 -5.688 -1.306 -0.752 240 HD12 ILE 29 HD12 ILE 29 -5.161 -2.979 -0.596 241 HD13 ILE 29 HD13 ILE 29 -6.878 -2.607 -0.736 242 H THR 30 H THR 30 -8.336 -3.707 -4.543 243 HA THR 30 HA THR 30 -10.127 -4.999 -5.261 244 HB THR 30 HB THR 30 -10.384 -4.861 -7.604 245 HG1 THR 30 HG1 THR 30 -7.558 -4.740 -7.788 246 HG21 THR 30 HG21 THR 30 -8.342 -2.754 -6.845 247 HG22 THR 30 HG22 THR 30 -10.067 -2.671 -6.487 248 HG23 THR 30 HG23 THR 30 -9.511 -2.643 -8.161 249 H SER 31 H SER 31 -9.430 -6.895 -3.991 250 HA SER 31 HA SER 31 -9.307 -9.232 -5.667 251 HB2 SER 31 HB2 SER 31 -7.224 -10.135 -4.669 252 HB3 SER 31 HB3 SER 31 -6.932 -8.695 -5.639 253 HG SER 31 HG SER 31 -5.955 -8.820 -3.447 254 H GLY 32 H GLY 32 -11.068 -10.095 -4.690 255 HA2 GLY 32 HA2 GLY 32 -12.446 -10.914 -3.021 256 HA3 GLY 32 HA3 GLY 32 -10.945 -11.618 -2.426 257 H LYS 33 H LYS 33 -10.022 -10.824 -0.591 258 HA LYS 33 HA LYS 33 -11.566 -9.326 1.215 259 HB2 LYS 33 HB2 LYS 33 -8.557 -9.636 1.274 260 HB3 LYS 33 HB3 LYS 33 -9.629 -9.340 2.644 261 HG2 LYS 33 HG2 LYS 33 -10.706 -11.517 2.301 262 HG3 LYS 33 HG3 LYS 33 -9.689 -11.815 0.891 263 HD2 LYS 33 HD2 LYS 33 -7.678 -11.731 2.302 264 HD3 LYS 33 HD3 LYS 33 -8.674 -11.393 3.718 265 HE2 LYS 33 HE2 LYS 33 -8.161 -13.766 3.694 266 HE3 LYS 33 HE3 LYS 33 -9.872 -13.562 3.319 267 HZ1 LYS 33 HZ1 LYS 33 -8.675 -15.131 1.835 268 HZ2 LYS 33 HZ2 LYS 33 -7.754 -13.825 1.260 269 HZ3 LYS 33 HZ3 LYS 33 -9.435 -13.855 1.017 270 H CYS 34 H CYS 34 -9.512 -7.537 2.229 271 HA CYS 34 HA CYS 34 -8.906 -5.335 2.070 272 HB2 CYS 34 HB2 CYS 34 -8.889 -5.702 -0.922 273 HB3 CYS 34 HB3 CYS 34 -7.895 -4.615 0.048 274 HA PRO 35 HA PRO 35 -12.778 -3.287 1.307 275 HB2 PRO 35 HB2 PRO 35 -12.049 -0.665 1.469 276 HB3 PRO 35 HB3 PRO 35 -12.082 -1.732 2.888 277 HG2 PRO 35 HG2 PRO 35 -9.750 -0.902 1.206 278 HG3 PRO 35 HG3 PRO 35 -9.883 -1.001 2.973 279 HD2 PRO 35 HD2 PRO 35 -8.690 -2.959 1.484 280 HD3 PRO 35 HD3 PRO 35 -9.544 -3.302 3.005 281 H GLN 36 H GLN 36 -13.422 -1.052 -0.027 282 HA GLN 36 HA GLN 36 -13.581 -1.699 -2.682 283 HB2 GLN 36 HB2 GLN 36 -13.895 0.773 -3.090 284 HB3 GLN 36 HB3 GLN 36 -14.909 0.100 -1.813 285 HG2 GLN 36 HG2 GLN 36 -13.492 0.984 -0.095 286 HG3 GLN 36 HG3 GLN 36 -12.233 1.398 -1.256 287 HE21 GLN 36 HE21 GLN 36 -15.764 2.089 -0.852 288 HE22 GLN 36 HE22 GLN 36 -15.622 3.737 -1.235 289 H LYS 37 H LYS 37 -12.591 -0.379 -4.544 290 HA LYS 37 HA LYS 37 -9.911 -1.009 -4.843 291 HB2 LYS 37 HB2 LYS 37 -10.149 1.181 -6.515 292 HB3 LYS 37 HB3 LYS 37 -10.662 -0.450 -6.932 293 HG2 LYS 37 HG2 LYS 37 -12.553 1.360 -5.437 294 HG3 LYS 37 HG3 LYS 37 -12.357 1.551 -7.174 295 HD2 LYS 37 HD2 LYS 37 -12.836 -1.218 -6.085 296 HD3 LYS 37 HD3 LYS 37 -14.199 -0.107 -6.205 297 HE2 LYS 37 HE2 LYS 37 -13.676 0.247 -8.608 298 HE3 LYS 37 HE3 LYS 37 -12.358 -0.917 -8.476 299 HZ1 LYS 37 HZ1 LYS 37 -14.839 -1.572 -9.176 300 HZ2 LYS 37 HZ2 LYS 37 -14.936 -1.816 -7.497 301 HZ3 LYS 37 HZ3 LYS 37 -13.770 -2.645 -8.413 302 H ALA 38 H ALA 38 -8.065 -0.197 -4.094 303 HA ALA 38 HA ALA 38 -7.884 2.601 -3.272 304 HB1 ALA 38 HB1 ALA 38 -6.883 0.640 -1.250 305 HB2 ALA 38 HB2 ALA 38 -8.625 0.875 -1.343 306 HB3 ALA 38 HB3 ALA 38 -7.571 2.247 -1.011 307 H VAL 39 H VAL 39 -5.854 3.426 -3.567 308 HA VAL 39 HA VAL 39 -3.934 1.732 -4.916 309 HB VAL 39 HB VAL 39 -2.686 3.750 -5.292 310 HG11 VAL 39 HG11 VAL 39 -4.924 3.347 -6.484 311 HG12 VAL 39 HG12 VAL 39 -4.300 4.995 -6.518 312 HG13 VAL 39 HG13 VAL 39 -5.594 4.567 -5.400 313 HG21 VAL 39 HG21 VAL 39 -3.546 5.902 -4.237 314 HG22 VAL 39 HG22 VAL 39 -2.732 4.791 -3.135 315 HG23 VAL 39 HG23 VAL 39 -4.494 4.888 -3.150 316 H ILE 40 H ILE 40 -2.041 0.964 -4.138 317 HA ILE 40 HA ILE 40 -1.557 1.239 -1.235 318 HB ILE 40 HB ILE 40 -0.912 -0.914 -3.254 319 HG12 ILE 40 HG12 ILE 40 -2.268 -1.084 -0.554 320 HG13 ILE 40 HG13 ILE 40 -3.150 -0.792 -2.054 321 HG21 ILE 40 HG21 ILE 40 0.167 -2.090 -1.251 322 HG22 ILE 40 HG22 ILE 40 0.233 -0.506 -0.483 323 HG23 ILE 40 HG23 ILE 40 1.107 -0.795 -1.986 324 HD11 ILE 40 HD11 ILE 40 -2.952 -3.242 -1.271 325 HD12 ILE 40 HD12 ILE 40 -1.266 -3.137 -1.760 326 HD13 ILE 40 HD13 ILE 40 -2.543 -2.906 -2.952 327 H PHE 41 H PHE 41 -0.133 2.906 -0.934 328 HA PHE 41 HA PHE 41 2.035 3.391 -2.793 329 HB2 PHE 41 HB2 PHE 41 1.489 4.546 -0.042 330 HB3 PHE 41 HB3 PHE 41 2.719 5.127 -1.157 331 HD1 PHE 41 HD2 PHE 41 1.802 5.602 -3.649 332 HD2 PHE 41 HD1 PHE 41 -0.571 5.626 -0.068 333 HE1 PHE 41 HE2 PHE 41 0.126 7.044 -4.770 334 HE2 PHE 41 HE1 PHE 41 -2.229 7.053 -1.184 335 HZ PHE 41 HZ PHE 41 -1.892 7.774 -3.538 336 H LYS 42 H LYS 42 3.836 2.223 -2.812 337 HA LYS 42 HA LYS 42 4.647 0.754 -0.375 338 HB2 LYS 42 HB2 LYS 42 6.180 -0.426 -2.084 339 HB3 LYS 42 HB3 LYS 42 4.450 -0.762 -2.170 340 HG2 LYS 42 HG2 LYS 42 4.150 0.667 -4.043 341 HG3 LYS 42 HG3 LYS 42 5.720 1.434 -3.810 342 HD2 LYS 42 HD2 LYS 42 5.655 -0.244 -5.697 343 HD3 LYS 42 HD3 LYS 42 6.883 -0.571 -4.476 344 HE2 LYS 42 HE2 LYS 42 4.146 -1.816 -4.243 345 HE3 LYS 42 HE3 LYS 42 5.373 -2.540 -5.283 346 HZ1 LYS 42 HZ1 LYS 42 6.708 -1.999 -2.977 347 HZ2 LYS 42 HZ2 LYS 42 6.110 -3.518 -3.446 348 HZ3 LYS 42 HZ3 LYS 42 5.190 -2.518 -2.426 349 H THR 43 H THR 43 6.508 1.209 0.638 350 HA THR 43 HA THR 43 8.295 3.254 -0.568 351 HB THR 43 HB THR 43 8.414 4.371 1.436 352 HG1 THR 43 HG1 THR 43 8.301 1.787 2.449 353 HG21 THR 43 HG21 THR 43 5.895 2.894 2.172 354 HG22 THR 43 HG22 THR 43 5.925 3.985 0.787 355 HG23 THR 43 HG23 THR 43 6.284 4.597 2.402 356 H LYS 44 H LYS 44 10.484 3.172 0.810 357 HA LYS 44 HA LYS 44 11.606 0.563 0.239 358 HB2 LYS 44 HB2 LYS 44 12.942 2.991 1.456 359 HB3 LYS 44 HB3 LYS 44 13.741 1.595 0.732 360 HG2 LYS 44 HG2 LYS 44 12.786 2.123 -1.448 361 HG3 LYS 44 HG3 LYS 44 11.858 3.452 -0.751 362 HD2 LYS 44 HD2 LYS 44 13.939 4.605 -0.134 363 HD3 LYS 44 HD3 LYS 44 14.886 3.265 -0.782 364 HE2 LYS 44 HE2 LYS 44 14.798 5.022 -2.456 365 HE3 LYS 44 HE3 LYS 44 13.818 3.666 -3.016 366 HZ1 LYS 44 HZ1 LYS 44 11.977 4.890 -2.940 367 HZ2 LYS 44 HZ2 LYS 44 12.991 6.246 -2.800 368 HZ3 LYS 44 HZ3 LYS 44 12.341 5.521 -1.408 369 H LEU 45 H LEU 45 10.038 1.877 2.870 370 HA LEU 45 HA LEU 45 11.482 1.174 5.114 371 HB2 LEU 45 HB2 LEU 45 8.563 1.280 4.472 372 HB3 LEU 45 HB3 LEU 45 9.028 0.510 5.978 373 HG LEU 45 HG LEU 45 8.484 3.040 6.019 374 HD11 LEU 45 HD11 LEU 45 11.146 2.170 7.170 375 HD12 LEU 45 HD12 LEU 45 9.578 1.754 7.861 376 HD13 LEU 45 HD13 LEU 45 10.087 3.438 7.779 377 HD21 LEU 45 HD21 LEU 45 10.031 4.589 5.252 378 HD22 LEU 45 HD22 LEU 45 10.132 3.379 3.987 379 HD23 LEU 45 HD23 LEU 45 11.365 3.444 5.242 380 H ALA 46 H ALA 46 8.766 -0.949 4.745 381 HA ALA 46 HA ALA 46 10.188 -3.271 3.917 382 HB1 ALA 46 HB1 ALA 46 9.562 -3.251 6.865 383 HB2 ALA 46 HB2 ALA 46 11.147 -2.790 6.246 384 HB3 ALA 46 HB3 ALA 46 10.527 -4.416 5.956 385 H LYS 47 H LYS 47 7.456 -1.620 4.268 386 HA LYS 47 HA LYS 47 5.803 -3.973 3.839 387 HB2 LYS 47 HB2 LYS 47 4.325 -3.722 5.632 388 HB3 LYS 47 HB3 LYS 47 5.894 -3.452 6.378 389 HG2 LYS 47 HG2 LYS 47 3.941 -1.290 5.503 390 HG3 LYS 47 HG3 LYS 47 4.273 -1.779 7.153 391 HD2 LYS 47 HD2 LYS 47 6.289 -0.557 5.244 392 HD3 LYS 47 HD3 LYS 47 5.513 0.266 6.589 393 HE2 LYS 47 HE2 LYS 47 7.608 -1.887 6.656 394 HE3 LYS 47 HE3 LYS 47 7.541 -0.377 7.553 395 HZ1 LYS 47 HZ1 LYS 47 5.404 -1.490 8.540 396 HZ2 LYS 47 HZ2 LYS 47 6.945 -1.839 9.168 397 HZ3 LYS 47 HZ3 LYS 47 6.197 -2.921 8.090 398 H ASP 48 H ASP 48 3.580 -3.392 3.185 399 HA ASP 48 HA ASP 48 3.643 -0.998 1.479 400 HB2 ASP 48 HB2 ASP 48 1.495 -3.108 1.476 401 HB3 ASP 48 HB3 ASP 48 2.011 -2.047 0.166 402 H ILE 49 H ILE 49 1.949 0.517 1.448 403 HA ILE 49 HA ILE 49 0.323 0.646 3.935 404 HB ILE 49 HB ILE 49 1.131 2.965 2.181 405 HG12 ILE 49 HG12 ILE 49 3.178 1.878 2.981 406 HG13 ILE 49 HG13 ILE 49 2.930 3.395 3.831 407 HG21 ILE 49 HG21 ILE 49 -0.738 3.431 3.638 408 HG22 ILE 49 HG22 ILE 49 0.688 4.214 4.316 409 HG23 ILE 49 HG23 ILE 49 0.095 2.709 5.015 410 HD11 ILE 49 HD11 ILE 49 3.546 1.824 5.508 411 HD12 ILE 49 HD12 ILE 49 2.463 0.594 4.863 412 HD13 ILE 49 HD13 ILE 49 1.803 2.009 5.677 413 H CYS 50 H CYS 50 -1.854 1.119 3.777 414 HA CYS 50 HA CYS 50 -3.052 0.873 1.081 415 HB2 CYS 50 HB2 CYS 50 -4.345 0.629 3.805 416 HB3 CYS 50 HB3 CYS 50 -5.085 0.245 2.251 417 H ALA 51 H ALA 51 -4.696 2.298 0.392 418 HA ALA 51 HA ALA 51 -5.671 4.479 1.913 419 HB1 ALA 51 HB1 ALA 51 -3.136 5.036 1.390 420 HB2 ALA 51 HB2 ALA 51 -4.370 6.286 1.270 421 HB3 ALA 51 HB3 ALA 51 -3.779 5.489 -0.189 422 H ASP 52 H ASP 52 -7.367 5.489 0.870 423 HA ASP 52 HA ASP 52 -8.096 4.384 -1.759 424 HB2 ASP 52 HB2 ASP 52 -9.622 5.619 0.515 425 HB3 ASP 52 HB3 ASP 52 -10.343 5.576 -1.092 426 HA PRO 53 HA PRO 53 -7.310 8.280 -3.782 427 HB2 PRO 53 HB2 PRO 53 -9.021 8.087 -5.917 428 HB3 PRO 53 HB3 PRO 53 -7.513 7.158 -5.797 429 HG2 PRO 53 HG2 PRO 53 -10.309 6.297 -5.194 430 HG3 PRO 53 HG3 PRO 53 -9.022 5.425 -6.050 431 HD2 PRO 53 HD2 PRO 53 -9.625 4.912 -3.446 432 HD3 PRO 53 HD3 PRO 53 -7.970 4.768 -4.084 433 H LYS 54 H LYS 54 -8.419 9.153 -1.745 434 HA LYS 54 HA LYS 54 -10.578 10.925 -2.602 435 HB2 LYS 54 HB2 LYS 54 -10.829 9.166 -0.144 436 HB3 LYS 54 HB3 LYS 54 -11.966 10.418 -0.645 437 HG2 LYS 54 HG2 LYS 54 -12.207 9.152 -2.841 438 HG3 LYS 54 HG3 LYS 54 -11.317 7.833 -2.077 439 HD2 LYS 54 HD2 LYS 54 -13.014 7.779 -0.257 440 HD3 LYS 54 HD3 LYS 54 -13.926 9.032 -1.101 441 HE2 LYS 54 HE2 LYS 54 -14.376 7.599 -2.952 442 HE3 LYS 54 HE3 LYS 54 -13.173 6.421 -2.427 443 HZ1 LYS 54 HZ1 LYS 54 -14.514 5.949 -0.487 444 HZ2 LYS 54 HZ2 LYS 54 -15.429 5.711 -1.899 445 HZ3 LYS 54 HZ3 LYS 54 -15.662 7.106 -0.958 446 H LYS 55 H LYS 55 -8.456 9.884 0.067 447 HA LYS 55 HA LYS 55 -8.532 12.412 1.375 448 HB2 LYS 55 HB2 LYS 55 -6.049 10.924 1.849 449 HB3 LYS 55 HB3 LYS 55 -7.309 11.370 2.985 450 HG2 LYS 55 HG2 LYS 55 -8.683 9.426 1.875 451 HG3 LYS 55 HG3 LYS 55 -7.121 8.889 1.270 452 HD2 LYS 55 HD2 LYS 55 -7.608 9.462 4.206 453 HD3 LYS 55 HD3 LYS 55 -7.905 7.882 3.495 454 HE2 LYS 55 HE2 LYS 55 -5.669 7.395 3.352 455 HE3 LYS 55 HE3 LYS 55 -5.235 9.030 2.865 456 HZ1 LYS 55 HZ1 LYS 55 -5.577 9.739 5.167 457 HZ2 LYS 55 HZ2 LYS 55 -4.365 8.556 5.037 458 HZ3 LYS 55 HZ3 LYS 55 -5.907 8.136 5.613 459 H LYS 56 H LYS 56 -7.169 14.151 1.209 460 HA LYS 56 HA LYS 56 -6.297 14.966 -1.231 461 HB2 LYS 56 HB2 LYS 56 -6.514 16.322 0.913 462 HB3 LYS 56 HB3 LYS 56 -4.871 15.802 1.288 463 HG2 LYS 56 HG2 LYS 56 -4.277 16.661 -1.093 464 HG3 LYS 56 HG3 LYS 56 -5.822 17.508 -1.016 465 HD2 LYS 56 HD2 LYS 56 -3.570 17.773 0.998 466 HD3 LYS 56 HD3 LYS 56 -3.977 18.956 -0.245 467 HE2 LYS 56 HE2 LYS 56 -6.323 19.009 0.776 468 HE3 LYS 56 HE3 LYS 56 -5.639 18.123 2.139 469 HZ1 LYS 56 HZ1 LYS 56 -4.124 20.439 1.299 470 HZ2 LYS 56 HZ2 LYS 56 -4.535 19.916 2.862 471 HZ3 LYS 56 HZ3 LYS 56 -5.657 20.791 1.932 472 H TRP 57 H TRP 57 -4.021 13.684 1.261 473 HA TRP 57 HA TRP 57 -1.756 13.880 -0.335 474 HB2 TRP 57 HB2 TRP 57 -1.767 13.307 2.118 475 HB3 TRP 57 HB3 TRP 57 -2.173 11.658 1.659 476 HD1 TRP 57 HD1 TRP 57 0.493 14.311 0.956 477 HE1 TRP 57 HE1 TRP 57 2.729 13.133 0.473 478 HE3 TRP 57 HE3 TRP 57 -1.014 9.411 1.032 479 HZ2 TRP 57 HZ2 TRP 57 3.740 10.488 0.119 480 HZ3 TRP 57 HZ3 TRP 57 0.610 7.606 0.607 481 HH2 TRP 57 HH2 TRP 57 2.983 8.134 0.148 482 H VAL 58 H VAL 58 -4.043 11.164 -0.128 483 HA VAL 58 HA VAL 58 -2.637 9.306 -1.614 484 HB VAL 58 HB VAL 58 -5.612 9.851 -1.665 485 HG11 VAL 58 HG11 VAL 58 -5.029 8.469 -3.567 486 HG12 VAL 58 HG12 VAL 58 -5.703 7.415 -2.330 487 HG13 VAL 58 HG13 VAL 58 -3.972 7.477 -2.578 488 HG21 VAL 58 HG21 VAL 58 -5.520 7.833 -0.066 489 HG22 VAL 58 HG22 VAL 58 -4.959 9.377 0.567 490 HG23 VAL 58 HG23 VAL 58 -3.795 8.167 0.064 491 H GLN 59 H GLN 59 -4.962 11.691 -2.891 492 HA GLN 59 HA GLN 59 -4.491 11.074 -5.603 493 HB2 GLN 59 HB2 GLN 59 -5.320 13.845 -4.802 494 HB3 GLN 59 HB3 GLN 59 -5.948 12.809 -6.085 495 HG2 GLN 59 HG2 GLN 59 -6.745 11.290 -4.079 496 HG3 GLN 59 HG3 GLN 59 -6.569 12.763 -3.137 497 HE21 GLN 59 HE21 GLN 59 -8.697 11.058 -5.201 498 HE22 GLN 59 HE22 GLN 59 -9.797 12.320 -5.485 499 H ASP 60 H ASP 60 -2.890 13.270 -3.383 500 HA ASP 60 HA ASP 60 -1.403 14.692 -5.370 501 HB2 ASP 60 HB2 ASP 60 -1.949 15.446 -2.991 502 HB3 ASP 60 HB3 ASP 60 -0.645 14.375 -2.470 503 H SER 61 H SER 61 -0.652 11.969 -3.221 504 HA SER 61 HA SER 61 2.077 11.766 -3.713 505 HB2 SER 61 HB2 SER 61 0.338 9.347 -3.331 506 HB3 SER 61 HB3 SER 61 1.968 9.646 -2.733 507 HG SER 61 HG SER 61 0.887 11.477 -1.580 508 H MET 62 H MET 62 -0.555 10.003 -5.430 509 HA MET 62 HA MET 62 1.220 8.721 -7.233 510 HB2 MET 62 HB2 MET 62 -0.902 8.468 -8.663 511 HB3 MET 62 HB3 MET 62 -0.913 7.732 -7.062 512 HG2 MET 62 HG2 MET 62 -2.297 9.393 -6.172 513 HG3 MET 62 HG3 MET 62 -1.928 10.537 -7.453 514 HE1 MET 62 HE1 MET 62 -3.324 7.122 -6.579 515 HE2 MET 62 HE2 MET 62 -4.895 7.090 -7.377 516 HE3 MET 62 HE3 MET 62 -4.591 8.260 -6.096 517 H LYS 63 H LYS 63 -0.503 11.799 -7.336 518 HA LYS 63 HA LYS 63 0.008 12.448 -10.033 519 HB2 LYS 63 HB2 LYS 63 -1.600 13.730 -8.754 520 HB3 LYS 63 HB3 LYS 63 -0.364 14.210 -7.595 521 HG2 LYS 63 HG2 LYS 63 -0.906 15.997 -9.265 522 HG3 LYS 63 HG3 LYS 63 0.791 15.525 -9.284 523 HD2 LYS 63 HD2 LYS 63 0.562 14.320 -11.302 524 HD3 LYS 63 HD3 LYS 63 -1.191 14.205 -11.142 525 HE2 LYS 63 HE2 LYS 63 0.353 16.770 -11.636 526 HE3 LYS 63 HE3 LYS 63 -0.531 15.863 -12.864 527 HZ1 LYS 63 HZ1 LYS 63 -1.995 17.517 -12.145 528 HZ2 LYS 63 HZ2 LYS 63 -1.609 17.287 -10.507 529 HZ3 LYS 63 HZ3 LYS 63 -2.516 16.118 -11.341 530 H TYR 64 H TYR 64 1.847 12.931 -7.061 531 HA TYR 64 HA TYR 64 3.965 14.446 -8.171 532 HB2 TYR 64 HB2 TYR 64 4.162 14.582 -5.892 533 HB3 TYR 64 HB3 TYR 64 3.362 13.036 -5.650 534 HD1 TYR 64 HD1 TYR 64 6.548 14.103 -7.344 535 HD2 TYR 64 HD2 TYR 64 4.695 11.570 -4.408 536 HE1 TYR 64 HE1 TYR 64 8.741 13.055 -6.859 537 HE2 TYR 64 HE2 TYR 64 6.888 10.528 -3.921 538 HH TYR 64 HH TYR 64 9.815 11.846 -4.937 539 H LEU 65 H LEU 65 3.308 11.003 -7.938 540 HA LEU 65 HA LEU 65 5.890 10.169 -8.868 541 HB2 LEU 65 HB2 LEU 65 3.239 8.826 -8.408 542 HB3 LEU 65 HB3 LEU 65 4.503 7.969 -9.286 543 HG LEU 65 HG LEU 65 5.205 9.292 -6.669 544 HD11 LEU 65 HD11 LEU 65 3.316 8.107 -5.900 545 HD12 LEU 65 HD12 LEU 65 4.646 6.982 -5.618 546 HD13 LEU 65 HD13 LEU 65 3.590 6.767 -7.012 547 HD21 LEU 65 HD21 LEU 65 6.091 6.618 -7.771 548 HD22 LEU 65 HD22 LEU 65 6.927 7.657 -6.619 549 HD23 LEU 65 HD23 LEU 65 6.830 8.122 -8.315 550 H ASP 66 H ASP 66 3.038 11.349 -10.339 551 HA ASP 66 HA ASP 66 3.332 10.102 -12.892 552 HB2 ASP 66 HB2 ASP 66 1.256 11.230 -11.858 553 HB3 ASP 66 HB3 ASP 66 1.967 12.744 -12.408 554 H GLN 67 H GLN 67 4.559 13.040 -11.411 555 HA GLN 67 HA GLN 67 5.463 14.331 -13.758 556 HB2 GLN 67 HB2 GLN 67 6.653 14.499 -10.981 557 HB3 GLN 67 HB3 GLN 67 6.823 15.685 -12.276 558 HG2 GLN 67 HG2 GLN 67 4.396 16.083 -12.251 559 HG3 GLN 67 HG3 GLN 67 4.205 14.878 -10.978 560 HE21 GLN 67 HE21 GLN 67 3.754 16.048 -9.096 561 HE22 GLN 67 HE22 GLN 67 4.646 17.390 -8.561 562 H LYS 68 H LYS 68 7.247 12.332 -11.394 563 HA LYS 68 HA LYS 68 9.593 12.236 -13.070 564 HB2 LYS 68 HB2 LYS 68 10.460 10.691 -11.348 565 HB3 LYS 68 HB3 LYS 68 9.824 12.175 -10.640 566 HG2 LYS 68 HG2 LYS 68 7.607 10.886 -10.370 567 HG3 LYS 68 HG3 LYS 68 8.556 9.436 -10.690 568 HD2 LYS 68 HD2 LYS 68 9.186 11.446 -8.508 569 HD3 LYS 68 HD3 LYS 68 8.323 9.932 -8.247 570 HE2 LYS 68 HE2 LYS 68 10.557 9.392 -7.717 571 HE3 LYS 68 HE3 LYS 68 10.374 8.805 -9.369 572 HZ1 LYS 68 HZ1 LYS 68 12.204 10.665 -8.419 573 HZ2 LYS 68 HZ2 LYS 68 11.120 11.522 -9.408 574 HZ3 LYS 68 HZ3 LYS 68 11.961 10.180 -10.026 575 H SER 69 H SER 69 6.869 10.108 -12.350 576 HA SER 69 HA SER 69 6.138 8.173 -13.359 577 HB2 SER 69 HB2 SER 69 6.452 9.700 -15.381 578 HB3 SER 69 HB3 SER 69 7.978 8.863 -15.646 579 HG SER 69 HG SER 69 6.153 7.022 -15.188 580 HA PRO 70 HA PRO 70 9.932 6.006 -11.745 581 HB2 PRO 70 HB2 PRO 70 7.722 4.032 -11.255 582 HB3 PRO 70 HB3 PRO 70 9.070 4.498 -10.197 583 HG2 PRO 70 HG2 PRO 70 6.624 5.420 -9.750 584 HG3 PRO 70 HG3 PRO 70 8.041 6.464 -9.533 585 HD2 PRO 70 HD2 PRO 70 6.028 6.460 -11.756 586 HD3 PRO 70 HD3 PRO 70 6.908 7.825 -11.036 587 H THR 71 H THR 71 7.252 4.438 -13.518 588 HA THR 71 HA THR 71 7.263 2.826 -15.168 589 HB THR 71 HB THR 71 8.620 3.390 -17.096 590 HG1 THR 71 HG1 THR 71 10.118 5.246 -16.682 591 HG21 THR 71 HG21 THR 71 8.074 5.832 -17.270 592 HG22 THR 71 HG22 THR 71 7.655 5.814 -15.556 593 HG23 THR 71 HG23 THR 71 6.723 4.849 -16.703 594 HA PRO 72 HA PRO 72 10.565 0.436 -12.812 595 HB2 PRO 72 HB2 PRO 72 8.398 -1.562 -13.404 596 HB3 PRO 72 HB3 PRO 72 9.383 -1.372 -11.939 597 HG2 PRO 72 HG2 PRO 72 6.874 -0.511 -12.001 598 HG3 PRO 72 HG3 PRO 72 8.135 0.421 -11.173 599 HD2 PRO 72 HD2 PRO 72 6.797 0.981 -13.791 600 HD3 PRO 72 HD3 PRO 72 7.446 2.121 -12.592 601 H LYS 73 H LYS 73 11.351 -1.897 -13.546 602 HA LYS 73 HA LYS 73 12.553 -3.020 -15.153 603 HB2 LYS 73 HB2 LYS 73 10.150 -3.674 -15.655 604 HB3 LYS 73 HB3 LYS 73 10.168 -2.446 -16.917 605 HG2 LYS 73 HG2 LYS 73 10.799 -4.332 -18.137 606 HG3 LYS 73 HG3 LYS 73 12.375 -3.680 -17.694 607 HD2 LYS 73 HD2 LYS 73 12.544 -5.242 -15.826 608 HD3 LYS 73 HD3 LYS 73 10.909 -5.827 -16.126 609 HE2 LYS 73 HE2 LYS 73 11.623 -6.592 -18.381 610 HE3 LYS 73 HE3 LYS 73 13.268 -6.071 -18.014 611 HZ1 LYS 73 HZ1 LYS 73 11.709 -8.259 -16.800 612 HZ2 LYS 73 HZ2 LYS 73 13.009 -7.556 -15.963 613 HZ3 LYS 73 HZ3 LYS 73 13.268 -8.306 -17.465 614 HA PRO 74 HA PRO 74 13.893 1.161 -16.886 615 HB2 PRO 74 HB2 PRO 74 16.432 -0.378 -16.399 616 HB3 PRO 74 HB3 PRO 74 16.100 1.351 -16.155 617 HG2 PRO 74 HG2 PRO 74 16.161 -0.321 -14.093 618 HG3 PRO 74 HG3 PRO 74 14.966 0.988 -14.169 619 HD2 PRO 74 HD2 PRO 74 14.566 -1.950 -14.579 620 HD3 PRO 74 HD3 PRO 74 13.433 -0.736 -13.944 621 H1 VAL 208 H1 VAL 208 -12.439 19.160 12.282 622 H2 VAL 208 H2 VAL 208 -12.314 20.351 11.078 623 H3 VAL 208 H3 VAL 208 -11.490 20.538 12.552 624 HA VAL 208 HA VAL 208 -10.358 19.607 10.322 625 HB VAL 208 HB VAL 208 -9.193 20.304 12.371 626 HG11 VAL 208 HG11 VAL 208 -9.970 17.585 13.465 627 HG12 VAL 208 HG12 VAL 208 -10.754 19.096 13.928 628 HG13 VAL 208 HG13 VAL 208 -9.049 18.837 14.300 629 HG21 VAL 208 HG21 VAL 208 -8.075 18.826 10.641 630 HG22 VAL 208 HG22 VAL 208 -8.433 17.451 11.685 631 HG23 VAL 208 HG23 VAL 208 -7.366 18.734 12.253 632 H GLU 209 H GLU 209 -9.956 17.679 9.308 633 HA GLU 209 HA GLU 209 -11.827 15.575 9.615 634 HB2 GLU 209 HB2 GLU 209 -10.444 16.263 7.534 635 HB3 GLU 209 HB3 GLU 209 -9.168 15.264 8.225 636 HG2 GLU 209 HG2 GLU 209 -10.350 13.785 6.804 637 HG3 GLU 209 HG3 GLU 209 -10.969 13.418 8.412 638 H THR 210 H THR 210 -9.257 13.725 9.168 639 HA THR 210 HA THR 210 -8.172 13.447 11.802 640 HB THR 210 HB THR 210 -10.241 11.424 10.910 641 HG1 THR 210 HG1 THR 210 -11.245 12.117 12.848 642 HG21 THR 210 HG21 THR 210 -9.695 10.463 13.218 643 HG22 THR 210 HG22 THR 210 -8.245 11.467 13.178 644 HG23 THR 210 HG23 THR 210 -8.482 10.212 11.962 645 H PHE 211 H PHE 211 -9.022 11.570 8.889 646 HA PHE 211 HA PHE 211 -6.583 10.041 8.990 647 HB2 PHE 211 HB2 PHE 211 -8.910 10.256 7.097 648 HB3 PHE 211 HB3 PHE 211 -7.433 9.471 6.543 649 HD1 PHE 211 HD1 PHE 211 -9.245 9.502 9.846 650 HD2 PHE 211 HD2 PHE 211 -7.688 7.142 6.605 651 HE1 PHE 211 HE1 PHE 211 -9.894 7.431 11.038 652 HE2 PHE 211 HE2 PHE 211 -8.340 5.075 7.803 653 HZ PHE 211 HZ PHE 211 -9.441 5.218 10.017 654 H GLY 212 H GLY 212 -5.509 12.361 9.170 655 HA2 GLY 212 HA2 GLY 212 -3.667 12.730 7.234 656 HA3 GLY 212 HA3 GLY 212 -5.033 13.652 6.614 657 H THR 213 H THR 213 -2.250 13.926 8.325 658 HA THR 213 HA THR 213 -2.686 16.600 9.090 659 HB THR 213 HB THR 213 -4.075 15.889 10.869 660 HG1 THR 213 HG1 THR 213 -2.337 17.283 11.487 661 HG21 THR 213 HG21 THR 213 -3.788 13.545 10.916 662 HG22 THR 213 HG22 THR 213 -3.179 14.086 12.481 663 HG23 THR 213 HG23 THR 213 -2.051 13.675 11.189 664 H THR 214 H THR 214 -1.000 15.260 11.625 665 HA THR 214 HA THR 214 1.469 16.300 11.025 666 HB THR 214 HB THR 214 0.968 13.739 12.565 667 HG1 THR 214 HG1 THR 214 0.278 14.969 14.125 668 HG21 THR 214 HG21 THR 214 2.989 14.784 13.865 669 HG22 THR 214 HG22 THR 214 3.281 15.657 12.361 670 HG23 THR 214 HG23 THR 214 3.296 13.893 12.375 671 H SER 215 H SER 215 3.534 14.940 10.694 672 HA SER 215 HA SER 215 3.598 13.954 8.093 673 HB2 SER 215 HB2 SER 215 5.608 14.687 9.297 674 HB3 SER 215 HB3 SER 215 5.473 13.305 10.381 675 HG SER 215 HG SER 215 6.745 12.483 8.880 676 H TYS 216 H TYS 216 5.052 11.571 10.009 677 HA TYS 216 HA TYS 216 2.898 9.760 10.325 678 HB2 TYS 216 HB2 TYS 216 2.882 9.705 7.893 679 HB3 TYS 216 HB1 TYS 216 4.613 9.371 7.859 680 HD1 TYS 216 HD1 TYS 216 5.157 7.146 7.430 681 HD2 TYS 216 HD2 TYS 216 1.581 8.007 9.636 682 HE1 TYS 216 HE1 TYS 216 4.688 4.721 7.620 683 HE2 TYS 216 HE2 TYS 216 1.108 5.588 9.825 684 H TYS 217 H TYS 217 6.346 9.699 9.351 685 HA TYS 217 HA TYS 217 6.876 7.651 11.389 686 HB2 TYS 217 HB2 TYS 217 8.387 8.750 9.031 687 HB3 TYS 217 HB1 TYS 217 9.281 7.948 10.320 688 HD1 TYS 217 HD1 TYS 217 7.649 7.397 7.263 689 HD2 TYS 217 HD2 TYS 217 8.109 5.678 11.173 690 HE1 TYS 217 HE1 TYS 217 6.976 5.178 6.370 691 HE2 TYS 217 HE2 TYS 217 7.437 3.466 10.282 692 H ASP 218 H ASP 218 8.517 10.665 10.391 693 HA ASP 218 HA ASP 218 9.437 12.367 11.620 694 HB2 ASP 218 HB2 ASP 218 7.199 12.058 12.920 695 HB3 ASP 218 HB3 ASP 218 8.196 11.262 14.134 696 H ASP 219 H ASP 219 9.514 9.165 13.128 697 HA ASP 219 HA ASP 219 11.930 9.644 14.594 698 HB2 ASP 219 HB2 ASP 219 10.490 7.098 13.826 699 HB3 ASP 219 HB3 ASP 219 11.920 7.144 14.855 700 H VAL 220 H VAL 220 11.113 8.270 11.462 701 HA VAL 220 HA VAL 220 12.389 7.762 9.626 702 HB VAL 220 HB VAL 220 14.640 9.292 10.929 703 HG11 VAL 220 HG11 VAL 220 13.766 9.230 8.036 704 HG12 VAL 220 HG12 VAL 220 14.873 8.028 8.700 705 HG13 VAL 220 HG13 VAL 220 15.323 9.733 8.696 706 HG21 VAL 220 HG21 VAL 220 13.558 11.288 9.728 707 HG22 VAL 220 HG22 VAL 220 12.771 10.747 11.211 708 HG23 VAL 220 HG23 VAL 220 12.096 10.305 9.643 709 H GLY 221 H GLY 221 14.883 7.892 12.171 710 HA2 GLY 221 HA2 GLY 221 16.423 5.764 11.384 711 HA3 GLY 221 HA3 GLY 221 16.226 6.242 13.067 712 H LEU 222 H LEU 222 13.192 5.600 12.394 713 HA LEU 222 HA LEU 222 12.894 3.296 13.833 714 HB2 LEU 222 HB2 LEU 222 11.063 4.807 12.922 715 HB3 LEU 222 HB3 LEU 222 11.206 3.917 11.407 716 HG LEU 222 HG LEU 222 10.926 1.787 12.946 717 HD11 LEU 222 HD11 LEU 222 9.373 2.292 14.861 718 HD12 LEU 222 HD12 LEU 222 9.729 4.003 14.643 719 HD13 LEU 222 HD13 LEU 222 11.012 2.889 15.109 720 HD21 LEU 222 HD21 LEU 222 8.648 3.680 12.281 721 HD22 LEU 222 HD22 LEU 222 8.444 1.981 12.708 722 HD23 LEU 222 HD23 LEU 222 9.308 2.422 11.236 723 H LEU 223 H LEU 223 13.028 3.425 10.263 724 HA LEU 223 HA LEU 223 12.941 0.755 9.660 725 HB2 LEU 223 HB2 LEU 223 13.253 2.858 8.128 726 HB3 LEU 223 HB3 LEU 223 14.971 2.503 8.280 727 HG LEU 223 HG LEU 223 12.850 0.563 7.303 728 HD11 LEU 223 HD11 LEU 223 15.102 1.888 5.768 729 HD12 LEU 223 HD12 LEU 223 13.439 2.475 5.761 730 HD13 LEU 223 HD13 LEU 223 13.813 0.879 5.111 731 HD21 LEU 223 HD21 LEU 223 15.042 -0.678 6.592 732 HD22 LEU 223 HD22 LEU 223 14.526 -0.784 8.272 733 HD23 LEU 223 HD23 LEU 223 15.818 0.327 7.818
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