NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
18104 | 2di7 | 10333 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 30.738 1.693 17.855 2 HA2 GLY 1 1HA GLY 1 31.857 3.392 16.391 3 HA3 GLY 1 2HA GLY 1 31.349 2.380 15.047 4 H SER 2 H SER 2 30.707 5.108 15.291 5 HA SER 2 HA SER 2 27.838 4.939 15.069 6 HB2 SER 2 1HB SER 2 27.942 5.320 17.441 7 HB3 SER 2 2HB SER 2 29.123 6.614 17.235 8 HG SER 2 HG SER 2 26.497 6.823 17.280 9 H SER 3 H SER 3 26.908 6.764 14.033 10 HA SER 3 HA SER 3 28.647 8.914 13.161 11 HB2 SER 3 1HB SER 3 28.113 8.495 10.742 12 HB3 SER 3 2HB SER 3 29.169 7.282 11.466 13 HG SER 3 HG SER 3 26.421 6.820 11.555 14 H GLY 4 H GLY 4 27.309 10.304 11.473 15 HA2 GLY 4 1HA GLY 4 24.474 10.334 12.251 16 HA3 GLY 4 2HA GLY 4 25.440 11.782 12.495 17 H SER 5 H SER 5 23.472 12.410 11.047 18 HA SER 5 HA SER 5 24.517 12.592 8.327 19 HB2 SER 5 1HB SER 5 21.872 11.387 9.085 20 HB3 SER 5 2HB SER 5 22.062 12.210 7.537 21 HG SER 5 HG SER 5 23.569 10.729 6.929 22 H SER 6 H SER 6 22.990 14.112 7.013 23 HA SER 6 HA SER 6 21.593 16.102 8.549 24 HB2 SER 6 1HB SER 6 23.040 17.965 8.121 25 HB3 SER 6 2HB SER 6 24.032 16.697 8.839 26 HG SER 6 HG SER 6 25.207 17.240 7.129 27 H GLY 7 H GLY 7 20.618 17.763 7.187 28 HA2 GLY 7 1HA GLY 7 20.802 17.858 4.403 29 HA3 GLY 7 2HA GLY 7 19.559 16.681 4.801 30 H GLU 8 H GLU 8 20.030 19.809 3.986 31 HA GLU 8 HA GLU 8 17.726 20.771 5.543 32 HB2 GLU 8 1HB GLU 8 19.918 22.284 4.117 33 HB3 GLU 8 2HB GLU 8 18.504 23.051 4.827 34 HG2 GLU 8 1HG GLU 8 20.539 21.420 6.329 35 HG3 GLU 8 2HG GLU 8 20.471 23.181 6.278 36 H THR 9 H THR 9 16.116 22.044 4.455 37 HA THR 9 HA THR 9 16.009 22.263 1.625 38 HB THR 9 HB THR 9 15.614 19.831 1.798 39 HG1 THR 9 1HG THR 9 13.121 20.924 1.095 40 HG21 THR 9 1HG2 THR 9 14.313 20.299 4.085 41 HG22 THR 9 2HG2 THR 9 14.011 18.868 3.100 42 HG23 THR 9 3HG2 THR 9 12.932 20.258 2.990 43 H GLY 10 H GLY 10 13.869 23.070 0.873 44 HA2 GLY 10 1HA GLY 10 11.723 23.755 2.449 45 HA3 GLY 10 2HA GLY 10 12.892 25.042 2.701 46 H GLY 11 H GLY 11 10.401 25.553 1.609 47 HA2 GLY 11 1HA GLY 11 9.870 27.127 -0.084 48 HA3 GLY 11 2HA GLY 11 11.202 26.503 -1.045 49 H GLU 12 H GLU 12 10.742 23.863 -1.221 50 HA GLU 12 HA GLU 12 8.958 23.555 -3.263 51 HB2 GLU 12 1HB GLU 12 9.126 21.200 -2.963 52 HB3 GLU 12 2HB GLU 12 10.668 21.883 -2.467 53 HG2 GLU 12 1HG GLU 12 10.118 21.628 -0.158 54 HG3 GLU 12 2HG GLU 12 8.467 21.156 -0.553 55 H ARG 13 H ARG 13 6.919 22.266 -3.322 56 HA ARG 13 HA ARG 13 4.912 23.513 -1.824 57 HB2 ARG 13 1HB ARG 13 4.973 21.055 -3.548 58 HB3 ARG 13 2HB ARG 13 3.513 21.500 -2.676 59 HG2 ARG 13 1HG ARG 13 4.891 23.491 -4.427 60 HG3 ARG 13 2HG ARG 13 3.816 22.274 -5.118 61 HD2 ARG 13 1HD ARG 13 1.949 23.138 -4.073 62 HD3 ARG 13 2HD ARG 13 2.892 23.903 -2.795 63 HE ARG 13 HE ARG 13 2.285 24.991 -5.406 64 HH11 ARG 13 1HH1 ARG 13 4.272 25.187 -2.554 65 HH12 ARG 13 2HH1 ARG 13 4.707 26.844 -2.813 66 HH21 ARG 13 1HH2 ARG 13 2.851 27.172 -5.758 67 HH22 ARG 13 2HH2 ARG 13 3.898 27.973 -4.635 68 H GLN 14 H GLN 14 3.217 22.147 -0.582 69 HA GLN 14 HA GLN 14 4.666 20.764 1.554 70 HB2 GLN 14 1HB GLN 14 1.887 21.949 1.474 71 HB3 GLN 14 2HB GLN 14 2.566 21.106 2.860 72 HG2 GLN 14 1HG GLN 14 4.056 22.801 3.332 73 HG3 GLN 14 2HG GLN 14 4.007 23.441 1.690 74 HE21 GLN 14 1HE2 GLN 14 3.773 25.125 3.810 75 HE22 GLN 14 2HE2 GLN 14 2.162 25.742 3.902 76 H LEU 15 H LEU 15 4.900 18.706 0.718 77 HA LEU 15 HA LEU 15 3.053 17.192 -0.659 78 HB2 LEU 15 1HB LEU 15 5.182 16.288 -0.545 79 HB3 LEU 15 2HB LEU 15 5.286 16.499 1.202 80 HG LEU 15 HG LEU 15 3.810 14.614 1.554 81 HD11 LEU 15 1HD1 LEU 15 3.786 13.772 -1.263 82 HD12 LEU 15 2HD1 LEU 15 2.764 15.155 -0.875 83 HD13 LEU 15 3HD1 LEU 15 2.543 13.629 -0.020 84 HD21 LEU 15 1HD2 LEU 15 5.507 13.181 1.378 85 HD22 LEU 15 2HD2 LEU 15 6.397 14.487 0.594 86 HD23 LEU 15 3HD2 LEU 15 5.530 13.299 -0.382 87 H SER 16 H SER 16 1.080 16.528 -0.166 88 HA SER 16 HA SER 16 0.422 16.049 2.668 89 HB2 SER 16 1HB SER 16 -0.699 18.008 1.289 90 HB3 SER 16 2HB SER 16 -1.711 16.701 0.676 91 HG SER 16 HG SER 16 -1.735 17.916 3.108 92 HA PRO 17 HA PRO 17 -0.223 11.875 1.278 93 HB2 PRO 17 1HB PRO 17 -1.113 10.914 3.656 94 HB3 PRO 17 2HB PRO 17 0.594 11.236 3.328 95 HG2 PRO 17 1HG PRO 17 -1.402 12.917 4.794 96 HG3 PRO 17 2HG PRO 17 0.286 12.566 5.210 97 HD2 PRO 17 1HD PRO 17 -0.476 14.889 4.044 98 HD3 PRO 17 2HD PRO 17 1.106 14.141 3.741 99 H GLU 18 H GLU 18 -2.674 13.316 3.442 100 HA GLU 18 HA GLU 18 -4.838 11.764 2.834 101 HB2 GLU 18 1HB GLU 18 -5.203 14.731 3.031 102 HB3 GLU 18 2HB GLU 18 -6.190 13.445 3.709 103 HG2 GLU 18 1HG GLU 18 -3.549 14.473 4.685 104 HG3 GLU 18 2HG GLU 18 -5.097 14.450 5.526 105 H LYS 19 H LYS 19 -3.712 14.613 1.041 106 HA LYS 19 HA LYS 19 -5.754 14.619 -0.893 107 HB2 LYS 19 1HB LYS 19 -2.906 15.581 -1.214 108 HB3 LYS 19 2HB LYS 19 -4.285 16.062 -2.193 109 HG2 LYS 19 1HG LYS 19 -4.438 16.505 0.737 110 HG3 LYS 19 2HG LYS 19 -3.387 17.557 -0.214 111 HD2 LYS 19 1HD LYS 19 -5.433 18.680 -0.199 112 HD3 LYS 19 2HD LYS 19 -5.424 17.851 -1.757 113 HE2 LYS 19 1HE LYS 19 -7.566 17.735 -0.371 114 HE3 LYS 19 2HE LYS 19 -6.939 16.223 -1.027 115 HZ1 LYS 19 1HZ LYS 19 -6.211 17.090 1.696 116 HZ2 LYS 19 2HZ LYS 19 -6.215 15.530 1.042 117 HZ3 LYS 19 3HZ LYS 19 -7.678 16.295 1.414 118 H SER 20 H SER 20 -2.439 13.320 -1.066 119 HA SER 20 HA SER 20 -2.240 12.327 -3.534 120 HB2 SER 20 1HB SER 20 -1.609 10.780 -1.009 121 HB3 SER 20 2HB SER 20 -0.999 10.379 -2.614 122 HG SER 20 HG SER 20 -0.555 12.830 -1.249 123 H GLU 21 H GLU 21 -3.265 10.963 -4.856 124 HA GLU 21 HA GLU 21 -5.509 9.421 -3.757 125 HB2 GLU 21 1HB GLU 21 -6.066 9.252 -6.299 126 HB3 GLU 21 2HB GLU 21 -6.390 10.748 -5.435 127 HG2 GLU 21 1HG GLU 21 -4.506 11.812 -6.364 128 HG3 GLU 21 2HG GLU 21 -3.848 10.291 -6.963 129 H ILE 22 H ILE 22 -5.599 7.250 -3.895 130 HA ILE 22 HA ILE 22 -3.329 5.895 -5.196 131 HB ILE 22 HB ILE 22 -4.999 4.979 -2.852 132 HG12 ILE 22 1HG1 ILE 22 -2.102 5.831 -3.057 133 HG13 ILE 22 2HG1 ILE 22 -3.394 6.724 -2.261 134 HG21 ILE 22 1HG2 ILE 22 -2.615 3.448 -3.300 135 HG22 ILE 22 2HG2 ILE 22 -4.288 2.905 -3.196 136 HG23 ILE 22 3HG2 ILE 22 -3.627 3.432 -4.744 137 HD11 ILE 22 1HD1 ILE 22 -3.566 4.394 -0.944 138 HD12 ILE 22 2HD1 ILE 22 -1.847 4.401 -1.339 139 HD13 ILE 22 3HD1 ILE 22 -2.549 5.740 -0.430 140 H TRP 23 H TRP 23 -4.001 5.229 -7.143 141 HA TRP 23 HA TRP 23 -6.556 3.764 -7.281 142 HB2 TRP 23 1HB TRP 23 -6.870 4.529 -9.524 143 HB3 TRP 23 2HB TRP 23 -6.479 5.943 -8.548 144 HD1 TRP 23 HD TRP 23 -5.087 3.758 -11.350 145 HE1 TRP 23 1HE TRP 23 -3.077 4.961 -12.418 146 HE3 TRP 23 3HE TRP 23 -4.600 7.622 -8.038 147 HZ2 TRP 23 2HZ TRP 23 -1.495 7.245 -11.921 148 HZ3 TRP 23 3HZ TRP 23 -2.813 9.273 -8.405 149 HH2 TRP 23 HH TRP 23 -1.293 9.086 -10.307 150 H GLY 24 H GLY 24 -6.641 2.010 -8.851 151 HA2 GLY 24 1HA GLY 24 -4.658 0.944 -10.370 152 HA3 GLY 24 2HA GLY 24 -4.235 0.425 -8.745 153 HA PRO 25 HA PRO 25 -7.444 -2.406 -10.817 154 HB2 PRO 25 1HB PRO 25 -5.815 -4.517 -11.327 155 HB3 PRO 25 2HB PRO 25 -6.091 -3.214 -12.489 156 HG2 PRO 25 1HG PRO 25 -3.795 -3.623 -10.613 157 HG3 PRO 25 2HG PRO 25 -3.775 -3.115 -12.312 158 HD2 PRO 25 1HD PRO 25 -3.519 -1.363 -10.263 159 HD3 PRO 25 2HD PRO 25 -4.306 -0.932 -11.795 160 H GLY 26 H GLY 26 -5.525 -2.169 -8.141 161 HA2 GLY 26 1HA GLY 26 -5.972 -4.779 -7.005 162 HA3 GLY 26 2HA GLY 26 -5.298 -3.381 -6.179 163 H LEU 27 H LEU 27 -7.273 -1.526 -6.377 164 HA LEU 27 HA LEU 27 -9.190 -2.543 -4.484 165 HB2 LEU 27 1HB LEU 27 -9.092 0.188 -5.748 166 HB3 LEU 27 2HB LEU 27 -9.929 -0.273 -4.267 167 HG LEU 27 HG LEU 27 -6.961 -0.564 -4.415 168 HD11 LEU 27 1HD1 LEU 27 -8.247 2.020 -3.600 169 HD12 LEU 27 2HD1 LEU 27 -7.690 1.741 -5.249 170 HD13 LEU 27 3HD1 LEU 27 -6.545 1.677 -3.910 171 HD21 LEU 27 1HD2 LEU 27 -7.951 -1.451 -2.462 172 HD22 LEU 27 2HD2 LEU 27 -8.999 -0.046 -2.263 173 HD23 LEU 27 3HD2 LEU 27 -7.262 0.104 -1.995 174 H LYS 28 H LYS 28 -9.495 -3.855 -6.896 175 HA LYS 28 HA LYS 28 -12.045 -2.765 -7.895 176 HB2 LYS 28 1HB LYS 28 -10.197 -4.609 -9.411 177 HB3 LYS 28 2HB LYS 28 -11.606 -3.760 -10.033 178 HG2 LYS 28 1HG LYS 28 -10.236 -1.639 -9.276 179 HG3 LYS 28 2HG LYS 28 -8.874 -2.746 -9.464 180 HD2 LYS 28 1HD LYS 28 -9.141 -1.640 -11.545 181 HD3 LYS 28 2HD LYS 28 -9.772 -3.274 -11.761 182 HE2 LYS 28 1HE LYS 28 -12.031 -2.085 -11.039 183 HE3 LYS 28 2HE LYS 28 -11.201 -0.670 -11.685 184 HZ1 LYS 28 1HZ LYS 28 -12.644 -2.279 -13.190 185 HZ2 LYS 28 2HZ LYS 28 -11.162 -3.084 -13.319 186 HZ3 LYS 28 3HZ LYS 28 -11.287 -1.463 -13.786 187 H ALA 29 H ALA 29 -13.384 -4.625 -8.949 188 HA ALA 29 HA ALA 29 -13.996 -6.471 -6.859 189 HB1 ALA 29 1HB ALA 29 -15.332 -5.417 -9.084 190 HB2 ALA 29 2HB ALA 29 -15.264 -7.161 -9.340 191 HB3 ALA 29 3HB ALA 29 -15.975 -6.514 -7.862 192 H ASP 30 H ASP 30 -13.105 -7.039 -10.271 193 HA ASP 30 HA ASP 30 -12.191 -9.719 -9.546 194 HB2 ASP 30 1HB ASP 30 -13.704 -9.451 -11.490 195 HB3 ASP 30 2HB ASP 30 -12.482 -8.458 -12.280 196 H VAL 31 H VAL 31 -10.280 -9.078 -8.442 197 HA VAL 31 HA VAL 31 -8.250 -7.542 -9.757 198 HB VAL 31 HB VAL 31 -6.812 -8.200 -7.860 199 HG11 VAL 31 1HG1 VAL 31 -8.759 -6.407 -7.841 200 HG12 VAL 31 2HG1 VAL 31 -9.396 -7.474 -6.588 201 HG13 VAL 31 3HG1 VAL 31 -7.798 -6.749 -6.403 202 HG21 VAL 31 1HG2 VAL 31 -9.201 -9.832 -7.006 203 HG22 VAL 31 2HG2 VAL 31 -7.634 -10.461 -7.515 204 HG23 VAL 31 3HG2 VAL 31 -7.768 -9.528 -6.025 205 H VAL 32 H VAL 32 -5.920 -8.625 -9.644 206 HA VAL 32 HA VAL 32 -5.865 -10.557 -11.708 207 HB VAL 32 HB VAL 32 -3.459 -10.613 -11.399 208 HG11 VAL 32 1HG1 VAL 32 -3.157 -8.568 -12.277 209 HG12 VAL 32 2HG1 VAL 32 -4.911 -8.435 -12.134 210 HG13 VAL 32 3HG1 VAL 32 -3.869 -7.755 -10.883 211 HG21 VAL 32 1HG2 VAL 32 -2.876 -8.802 -9.398 212 HG22 VAL 32 2HG2 VAL 32 -4.164 -9.786 -8.703 213 HG23 VAL 32 3HG2 VAL 32 -2.693 -10.553 -9.302 214 H LEU 33 H LEU 33 -4.761 -12.668 -11.575 215 HA LEU 33 HA LEU 33 -5.934 -14.281 -9.537 216 HB2 LEU 33 1HB LEU 33 -4.310 -14.713 -11.963 217 HB3 LEU 33 2HB LEU 33 -4.185 -15.955 -10.719 218 HG LEU 33 HG LEU 33 -6.779 -15.054 -11.966 219 HD11 LEU 33 1HD1 LEU 33 -4.787 -17.095 -12.773 220 HD12 LEU 33 2HD1 LEU 33 -5.876 -16.119 -13.758 221 HD13 LEU 33 3HD1 LEU 33 -6.493 -17.524 -12.889 222 HD21 LEU 33 1HD2 LEU 33 -6.013 -17.056 -9.901 223 HD22 LEU 33 2HD2 LEU 33 -7.341 -17.437 -10.997 224 HD23 LEU 33 3HD2 LEU 33 -7.420 -15.996 -9.982 225 HA PRO 34 HA PRO 34 -1.378 -14.969 -8.096 226 HB2 PRO 34 1HB PRO 34 0.538 -13.400 -9.209 227 HB3 PRO 34 2HB PRO 34 0.054 -14.957 -9.893 228 HG2 PRO 34 1HG PRO 34 -0.771 -12.194 -10.699 229 HG3 PRO 34 2HG PRO 34 -0.329 -13.573 -11.723 230 HD2 PRO 34 1HD PRO 34 -2.902 -12.863 -11.265 231 HD3 PRO 34 2HD PRO 34 -2.407 -14.549 -11.522 232 H ALA 35 H ALA 35 -0.333 -11.783 -8.980 233 HA ALA 35 HA ALA 35 -1.308 -10.690 -6.432 234 HB1 ALA 35 1HB ALA 35 0.970 -11.395 -6.029 235 HB2 ALA 35 2HB ALA 35 1.527 -10.498 -7.443 236 HB3 ALA 35 3HB ALA 35 0.884 -9.634 -6.046 237 H ARG 36 H ARG 36 -1.487 -8.398 -6.363 238 HA ARG 36 HA ARG 36 -1.582 -7.155 -9.033 239 HB2 ARG 36 1HB ARG 36 -3.472 -5.901 -8.373 240 HB3 ARG 36 2HB ARG 36 -3.776 -7.537 -7.805 241 HG2 ARG 36 1HG ARG 36 -2.565 -5.468 -6.009 242 HG3 ARG 36 2HG ARG 36 -4.311 -5.586 -6.238 243 HD2 ARG 36 1HD ARG 36 -3.849 -8.134 -5.722 244 HD3 ARG 36 2HD ARG 36 -2.428 -7.473 -4.914 245 HE ARG 36 HE ARG 36 -5.176 -7.239 -4.073 246 HH11 ARG 36 1HH1 ARG 36 -1.959 -5.930 -3.830 247 HH12 ARG 36 2HH1 ARG 36 -2.240 -5.177 -2.296 248 HH21 ARG 36 1HH2 ARG 36 -5.558 -6.251 -2.052 249 HH22 ARG 36 2HH2 ARG 36 -4.288 -5.361 -1.285 250 H TYR 37 H TYR 37 -1.324 -4.762 -9.019 251 HA TYR 37 HA TYR 37 0.261 -3.712 -6.807 252 HB2 TYR 37 1HB TYR 37 2.080 -2.988 -8.252 253 HB3 TYR 37 2HB TYR 37 1.892 -4.735 -8.359 254 HD1 TYR 37 1HD TYR 37 1.171 -1.550 -10.113 255 HD2 TYR 37 2HD TYR 37 1.456 -5.783 -10.429 256 HE1 TYR 37 1HE TYR 37 0.992 -1.373 -12.559 257 HE2 TYR 37 2HE TYR 37 1.280 -5.618 -12.877 258 HH TYR 37 HH TYR 37 1.730 -2.830 -14.569 259 H PHE 38 H PHE 38 -0.275 -1.673 -6.378 260 HA PHE 38 HA PHE 38 -1.799 -0.188 -8.410 261 HB2 PHE 38 1HB PHE 38 -2.697 1.118 -6.488 262 HB3 PHE 38 2HB PHE 38 -3.096 -0.595 -6.412 263 HD1 PHE 38 2HD PHE 38 -1.127 2.106 -4.928 264 HD2 PHE 38 1HD PHE 38 -2.157 -2.018 -4.711 265 HE1 PHE 38 2HE PHE 38 -0.163 1.988 -2.668 266 HE2 PHE 38 1HE PHE 38 -1.195 -2.143 -2.449 267 HZ PHE 38 HZ PHE 38 -0.195 -0.138 -1.425 268 H TYR 39 H TYR 39 -1.579 2.232 -8.239 269 HA TYR 39 HA TYR 39 1.270 2.896 -7.975 270 HB2 TYR 39 1HB TYR 39 -0.894 4.396 -9.465 271 HB3 TYR 39 2HB TYR 39 0.830 4.748 -9.494 272 HD1 TYR 39 2HD TYR 39 2.284 2.535 -10.134 273 HD2 TYR 39 1HD TYR 39 -1.725 3.324 -11.320 274 HE1 TYR 39 2HE TYR 39 2.562 1.027 -12.057 275 HE2 TYR 39 1HE TYR 39 -1.459 1.817 -13.246 276 HH TYR 39 HH TYR 39 0.051 0.685 -14.503 277 H ILE 40 H ILE 40 1.872 4.954 -7.080 278 HA ILE 40 HA ILE 40 -0.126 6.097 -5.245 279 HB ILE 40 HB ILE 40 2.772 5.539 -4.600 280 HG12 ILE 40 1HG1 ILE 40 0.337 4.447 -3.201 281 HG13 ILE 40 2HG1 ILE 40 1.067 3.620 -4.572 282 HG21 ILE 40 1HG2 ILE 40 0.713 6.632 -2.710 283 HG22 ILE 40 2HG2 ILE 40 2.466 6.591 -2.530 284 HG23 ILE 40 3HG2 ILE 40 1.726 7.687 -3.696 285 HD11 ILE 40 1HD1 ILE 40 2.296 2.572 -3.043 286 HD12 ILE 40 2HD1 ILE 40 3.218 4.073 -2.950 287 HD13 ILE 40 3HD1 ILE 40 1.922 3.760 -1.795 288 H GLN 41 H GLN 41 -0.515 8.069 -6.029 289 HA GLN 41 HA GLN 41 1.676 9.635 -7.165 290 HB2 GLN 41 1HB GLN 41 -0.284 9.562 -8.541 291 HB3 GLN 41 2HB GLN 41 -1.319 10.007 -7.191 292 HG2 GLN 41 1HG GLN 41 -1.174 11.993 -8.311 293 HG3 GLN 41 2HG GLN 41 0.140 12.165 -7.149 294 HE21 GLN 41 1HE2 GLN 41 2.139 12.513 -7.879 295 HE22 GLN 41 2HE2 GLN 41 2.610 12.478 -9.541 296 H ALA 42 H ALA 42 2.590 11.296 -6.137 297 HA ALA 42 HA ALA 42 1.728 11.928 -3.448 298 HB1 ALA 42 1HB ALA 42 3.807 12.813 -3.112 299 HB2 ALA 42 2HB ALA 42 4.166 11.686 -4.421 300 HB3 ALA 42 3HB ALA 42 3.948 13.402 -4.768 301 H VAL 43 H VAL 43 0.360 13.505 -2.968 302 HA VAL 43 HA VAL 43 0.089 15.758 -4.852 303 HB VAL 43 HB VAL 43 -2.040 14.573 -3.064 304 HG11 VAL 43 1HG1 VAL 43 -2.214 17.020 -3.318 305 HG12 VAL 43 2HG1 VAL 43 -2.256 16.815 -5.070 306 HG13 VAL 43 3HG1 VAL 43 -3.557 16.163 -4.074 307 HG21 VAL 43 1HG2 VAL 43 -2.089 14.664 -6.061 308 HG22 VAL 43 2HG2 VAL 43 -1.311 13.336 -5.200 309 HG23 VAL 43 3HG2 VAL 43 -3.030 13.652 -4.965 310 H ASP 44 H ASP 44 -0.120 17.832 -4.016 311 HA ASP 44 HA ASP 44 0.971 18.168 -1.337 312 HB2 ASP 44 1HB ASP 44 0.776 20.686 -2.185 313 HB3 ASP 44 2HB ASP 44 2.101 19.637 -2.683 314 H THR 45 H THR 45 0.016 20.442 -0.388 315 HA THR 45 HA THR 45 -2.560 19.742 0.579 316 HB THR 45 HB THR 45 -2.507 21.913 1.752 317 HG1 THR 45 1HG THR 45 -1.325 23.000 -0.003 318 HG21 THR 45 1HG2 THR 45 0.263 20.994 2.157 319 HG22 THR 45 2HG2 THR 45 -0.971 19.738 2.254 320 HG23 THR 45 3HG2 THR 45 -1.062 21.147 3.310 321 H SER 46 H SER 46 -1.553 21.318 -2.230 322 HA SER 46 HA SER 46 -4.073 22.791 -2.510 323 HB2 SER 46 1HB SER 46 -1.402 22.961 -3.860 324 HB3 SER 46 2HB SER 46 -2.834 23.571 -4.689 325 HG SER 46 HG SER 46 -1.498 24.987 -3.147 326 H GLY 47 H GLY 47 -3.414 19.772 -2.842 327 HA2 GLY 47 1HA GLY 47 -4.206 18.052 -4.139 328 HA3 GLY 47 2HA GLY 47 -5.368 19.209 -4.771 329 H ASN 48 H ASN 48 -1.889 19.556 -5.071 330 HA ASN 48 HA ASN 48 -2.197 19.325 -7.985 331 HB2 ASN 48 1HB ASN 48 0.157 20.563 -6.569 332 HB3 ASN 48 2HB ASN 48 -0.368 20.803 -8.233 333 HD21 ASN 48 1HD2 ASN 48 0.126 22.692 -6.003 334 HD22 ASN 48 2HD2 ASN 48 -1.327 23.618 -5.867 335 H LYS 49 H LYS 49 -0.897 17.993 -9.185 336 HA LYS 49 HA LYS 49 0.228 15.736 -7.840 337 HB2 LYS 49 1HB LYS 49 0.115 16.577 -10.732 338 HB3 LYS 49 2HB LYS 49 0.946 15.116 -10.215 339 HG2 LYS 49 1HG LYS 49 -1.043 14.103 -9.500 340 HG3 LYS 49 2HG LYS 49 -1.929 15.630 -9.529 341 HD2 LYS 49 1HD LYS 49 -2.193 15.589 -11.805 342 HD3 LYS 49 2HD LYS 49 -0.723 14.647 -12.067 343 HE2 LYS 49 1HE LYS 49 -2.479 13.174 -12.566 344 HE3 LYS 49 2HE LYS 49 -1.958 12.721 -10.944 345 HZ1 LYS 49 1HZ LYS 49 -3.796 14.168 -10.104 346 HZ2 LYS 49 2HZ LYS 49 -4.306 12.785 -10.933 347 HZ3 LYS 49 3HZ LYS 49 -4.355 14.294 -11.696 348 H PHE 50 H PHE 50 2.285 15.325 -7.302 349 HA PHE 50 HA PHE 50 4.219 17.416 -7.413 350 HB2 PHE 50 1HB PHE 50 4.109 14.650 -6.324 351 HB3 PHE 50 2HB PHE 50 5.704 15.334 -6.625 352 HD1 PHE 50 1HD PHE 50 2.464 16.271 -5.031 353 HD2 PHE 50 2HD PHE 50 6.713 16.504 -4.930 354 HE1 PHE 50 1HE PHE 50 2.343 17.480 -2.892 355 HE2 PHE 50 2HE PHE 50 6.599 17.713 -2.790 356 HZ PHE 50 HZ PHE 50 4.412 18.202 -1.767 357 H THR 51 H THR 51 3.702 14.424 -9.190 358 HA THR 51 HA THR 51 4.883 13.446 -10.908 359 HB THR 51 HB THR 51 5.043 14.863 -12.882 360 HG1 THR 51 1HG THR 51 5.745 16.742 -11.391 361 HG21 THR 51 1HG2 THR 51 2.766 14.178 -11.688 362 HG22 THR 51 2HG2 THR 51 2.793 15.149 -13.160 363 HG23 THR 51 3HG2 THR 51 2.588 15.929 -11.592 364 H SER 52 H SER 52 6.562 14.481 -8.696 365 HA SER 52 HA SER 52 9.062 14.822 -10.218 366 HB2 SER 52 1HB SER 52 8.151 16.823 -8.784 367 HB3 SER 52 2HB SER 52 8.787 15.890 -7.430 368 HG SER 52 HG SER 52 10.616 16.778 -7.952 369 H SER 53 H SER 53 10.995 14.342 -8.613 370 HA SER 53 HA SER 53 10.464 11.663 -7.543 371 HB2 SER 53 1HB SER 53 12.215 11.889 -9.291 372 HB3 SER 53 2HB SER 53 13.119 12.955 -8.216 373 HG SER 53 HG SER 53 12.489 10.220 -7.813 374 HA PRO 54 HA PRO 54 10.792 13.839 -3.583 375 HB2 PRO 54 1HB PRO 54 9.611 11.853 -2.158 376 HB3 PRO 54 2HB PRO 54 8.694 13.052 -3.078 377 HG2 PRO 54 1HG PRO 54 9.424 10.246 -3.824 378 HG3 PRO 54 2HG PRO 54 7.883 11.096 -4.040 379 HD2 PRO 54 1HD PRO 54 9.663 10.771 -6.055 380 HD3 PRO 54 2HD PRO 54 8.610 12.195 -5.930 381 H GLY 55 H GLY 55 11.341 10.322 -3.913 382 HA2 GLY 55 1HA GLY 55 14.046 10.349 -3.273 383 HA3 GLY 55 2HA GLY 55 13.176 10.171 -1.757 384 H GLU 56 H GLU 56 14.632 8.137 -2.009 385 HA GLU 56 HA GLU 56 13.671 6.081 -3.751 386 HB2 GLU 56 1HB GLU 56 16.021 6.265 -2.836 387 HB3 GLU 56 2HB GLU 56 15.381 5.728 -1.289 388 HG2 GLU 56 1HG GLU 56 16.171 3.771 -2.195 389 HG3 GLU 56 2HG GLU 56 14.466 3.721 -2.639 390 H LYS 57 H LYS 57 13.709 6.284 -0.187 391 HA LYS 57 HA LYS 57 11.272 4.630 -0.164 392 HB2 LYS 57 1HB LYS 57 13.331 4.975 2.023 393 HB3 LYS 57 2HB LYS 57 11.926 3.920 2.084 394 HG2 LYS 57 1HG LYS 57 14.104 3.636 0.032 395 HG3 LYS 57 2HG LYS 57 14.117 2.799 1.586 396 HD2 LYS 57 1HD LYS 57 11.799 2.609 -0.321 397 HD3 LYS 57 2HD LYS 57 13.185 1.521 -0.413 398 HE2 LYS 57 1HE LYS 57 11.831 0.289 0.947 399 HE3 LYS 57 2HE LYS 57 12.675 1.240 2.168 400 HZ1 LYS 57 1HZ LYS 57 10.025 1.049 2.012 401 HZ2 LYS 57 2HZ LYS 57 10.268 2.442 1.085 402 HZ3 LYS 57 3HZ LYS 57 10.825 2.381 2.681 403 H VAL 58 H VAL 58 9.739 6.245 -0.271 404 HA VAL 58 HA VAL 58 9.676 8.096 2.024 405 HB VAL 58 HB VAL 58 8.334 9.628 0.583 406 HG11 VAL 58 1HG1 VAL 58 10.232 10.531 -0.632 407 HG12 VAL 58 2HG1 VAL 58 10.741 9.965 0.960 408 HG13 VAL 58 3HG1 VAL 58 11.088 8.998 -0.474 409 HG21 VAL 58 1HG2 VAL 58 8.398 9.318 -1.844 410 HG22 VAL 58 2HG2 VAL 58 9.205 7.765 -1.626 411 HG23 VAL 58 3HG2 VAL 58 7.554 7.989 -1.048 412 H PHE 59 H PHE 59 7.798 6.085 -0.182 413 HA PHE 59 HA PHE 59 5.520 6.256 1.675 414 HB2 PHE 59 1HB PHE 59 5.665 5.734 -1.285 415 HB3 PHE 59 2HB PHE 59 4.248 5.277 -0.346 416 HD1 PHE 59 1HD PHE 59 3.279 7.201 1.174 417 HD2 PHE 59 2HD PHE 59 5.709 7.806 -2.268 418 HE1 PHE 59 1HE PHE 59 2.399 9.489 0.959 419 HE2 PHE 59 2HE PHE 59 4.833 10.095 -2.487 420 HZ PHE 59 HZ PHE 59 3.177 10.940 -0.872 421 H GLN 60 H GLN 60 4.601 4.409 2.488 422 HA GLN 60 HA GLN 60 5.913 1.864 1.803 423 HB2 GLN 60 1HB GLN 60 6.760 2.658 3.956 424 HB3 GLN 60 2HB GLN 60 5.116 2.812 4.561 425 HG2 GLN 60 1HG GLN 60 4.829 0.541 4.762 426 HG3 GLN 60 2HG GLN 60 6.066 0.171 3.562 427 HE21 GLN 60 1HE2 GLN 60 7.984 -0.440 4.275 428 HE22 GLN 60 2HE2 GLN 60 8.571 -0.249 5.889 429 H VAL 61 H VAL 61 4.622 -0.057 2.322 430 HA VAL 61 HA VAL 61 1.734 0.443 2.471 431 HB VAL 61 HB VAL 61 3.035 -1.379 0.441 432 HG11 VAL 61 1HG1 VAL 61 0.802 -2.068 1.495 433 HG12 VAL 61 2HG1 VAL 61 0.116 -0.702 0.613 434 HG13 VAL 61 3HG1 VAL 61 0.899 -2.016 -0.265 435 HG21 VAL 61 1HG2 VAL 61 1.480 1.173 0.031 436 HG22 VAL 61 2HG2 VAL 61 3.231 1.012 -0.112 437 HG23 VAL 61 3HG2 VAL 61 2.172 0.154 -1.231 438 H LYS 62 H LYS 62 0.615 -1.010 3.660 439 HA LYS 62 HA LYS 62 2.130 -3.291 4.747 440 HB2 LYS 62 1HB LYS 62 1.680 -1.885 6.567 441 HB3 LYS 62 2HB LYS 62 0.074 -1.480 5.977 442 HG2 LYS 62 1HG LYS 62 -0.777 -3.615 6.588 443 HG3 LYS 62 2HG LYS 62 0.842 -4.222 6.942 444 HD2 LYS 62 1HD LYS 62 0.853 -2.179 8.621 445 HD3 LYS 62 2HD LYS 62 -0.897 -2.394 8.522 446 HE2 LYS 62 1HE LYS 62 -0.369 -3.771 10.289 447 HE3 LYS 62 2HE LYS 62 -0.321 -4.905 8.940 448 HZ1 LYS 62 1HZ LYS 62 2.191 -3.595 9.439 449 HZ2 LYS 62 2HZ LYS 62 1.855 -5.237 9.209 450 HZ3 LYS 62 3HZ LYS 62 1.660 -4.540 10.738 451 H VAL 63 H VAL 63 1.277 -5.303 4.636 452 HA VAL 63 HA VAL 63 -1.446 -5.574 3.545 453 HB VAL 63 HB VAL 63 0.990 -7.176 2.757 454 HG11 VAL 63 1HG1 VAL 63 -0.910 -8.656 2.938 455 HG12 VAL 63 2HG1 VAL 63 -1.905 -7.545 1.994 456 HG13 VAL 63 3HG1 VAL 63 -0.545 -8.374 1.236 457 HG21 VAL 63 1HG2 VAL 63 -0.454 -4.915 1.578 458 HG22 VAL 63 2HG2 VAL 63 1.194 -5.480 1.300 459 HG23 VAL 63 3HG2 VAL 63 -0.156 -6.251 0.466 460 H SER 64 H SER 64 -2.721 -6.670 4.869 461 HA SER 64 HA SER 64 -1.844 -9.090 6.151 462 HB2 SER 64 1HB SER 64 -1.148 -7.054 7.637 463 HB3 SER 64 2HB SER 64 -2.864 -6.993 8.041 464 HG SER 64 HG SER 64 -2.388 -9.442 8.367 465 H ALA 65 H ALA 65 -3.520 -10.443 6.556 466 HA ALA 65 HA ALA 65 -6.158 -9.547 5.710 467 HB1 ALA 65 1HB ALA 65 -5.709 -11.552 4.684 468 HB2 ALA 65 2HB ALA 65 -4.857 -12.203 6.085 469 HB3 ALA 65 3HB ALA 65 -6.617 -12.093 6.096 470 HA PRO 66 HA PRO 66 -7.751 -9.116 9.794 471 HB2 PRO 66 1HB PRO 66 -10.393 -9.411 9.244 472 HB3 PRO 66 2HB PRO 66 -9.483 -7.954 8.830 473 HG2 PRO 66 1HG PRO 66 -10.243 -10.269 7.092 474 HG3 PRO 66 2HG PRO 66 -10.295 -8.534 6.730 475 HD2 PRO 66 1HD PRO 66 -8.297 -10.144 5.864 476 HD3 PRO 66 2HD PRO 66 -8.039 -8.435 6.269 477 H GLU 67 H GLU 67 -8.628 -11.896 7.822 478 HA GLU 67 HA GLU 67 -9.545 -13.390 10.145 479 HB2 GLU 67 1HB GLU 67 -10.675 -13.523 7.891 480 HB3 GLU 67 2HB GLU 67 -9.252 -14.373 7.306 481 HG2 GLU 67 1HG GLU 67 -11.195 -15.812 7.978 482 HG3 GLU 67 2HG GLU 67 -9.647 -16.216 8.716 483 H GLU 68 H GLU 68 -6.988 -13.623 7.684 484 HA GLU 68 HA GLU 68 -5.653 -15.690 9.255 485 HB2 GLU 68 1HB GLU 68 -5.916 -15.907 6.769 486 HB3 GLU 68 2HB GLU 68 -4.832 -14.535 6.588 487 HG2 GLU 68 1HG GLU 68 -3.504 -16.437 6.270 488 HG3 GLU 68 2HG GLU 68 -3.133 -15.869 7.897 489 H GLN 69 H GLN 69 -3.726 -15.425 10.281 490 HA GLN 69 HA GLN 69 -2.570 -12.715 10.249 491 HB2 GLN 69 1HB GLN 69 -3.808 -13.652 12.380 492 HB3 GLN 69 2HB GLN 69 -2.286 -14.496 12.632 493 HG2 GLN 69 1HG GLN 69 -1.131 -12.581 13.071 494 HG3 GLN 69 2HG GLN 69 -2.194 -11.582 12.082 495 HE21 GLN 69 1HE2 GLN 69 -2.863 -10.056 13.445 496 HE22 GLN 69 2HE2 GLN 69 -3.649 -10.345 14.956 497 H PHE 70 H PHE 70 -0.261 -12.902 11.407 498 HA PHE 70 HA PHE 70 1.914 -13.495 11.102 499 HB2 PHE 70 1HB PHE 70 0.780 -15.634 12.167 500 HB3 PHE 70 2HB PHE 70 1.135 -16.335 10.591 501 HD1 PHE 70 2HD PHE 70 2.720 -14.551 13.437 502 HD2 PHE 70 1HD PHE 70 3.245 -17.185 10.135 503 HE1 PHE 70 2HE PHE 70 5.030 -14.992 14.160 504 HE2 PHE 70 1HE PHE 70 5.555 -17.630 10.853 505 HZ PHE 70 HZ PHE 70 6.451 -16.532 12.867 506 H THR 71 H THR 71 1.018 -12.371 8.904 507 HA THR 71 HA THR 71 1.788 -14.133 6.673 508 HB THR 71 HB THR 71 -0.485 -13.149 6.515 509 HG1 THR 71 1HG THR 71 1.548 -12.656 4.653 510 HG21 THR 71 1HG2 THR 71 -0.923 -10.909 6.556 511 HG22 THR 71 2HG2 THR 71 0.660 -10.476 5.911 512 HG23 THR 71 3HG2 THR 71 0.492 -10.926 7.607 513 H ARG 72 H ARG 72 3.961 -13.896 6.511 514 HA ARG 72 HA ARG 72 5.283 -11.382 6.851 515 HB2 ARG 72 1HB ARG 72 6.294 -13.659 7.287 516 HB3 ARG 72 2HB ARG 72 6.400 -13.862 5.544 517 HG2 ARG 72 1HG ARG 72 7.674 -11.576 5.667 518 HG3 ARG 72 2HG ARG 72 7.939 -12.061 7.342 519 HD2 ARG 72 1HD ARG 72 8.657 -14.330 6.252 520 HD3 ARG 72 2HD ARG 72 8.898 -13.332 4.818 521 HE ARG 72 HE ARG 72 10.808 -12.549 5.776 522 HH11 ARG 72 1HH1 ARG 72 8.718 -13.729 8.298 523 HH12 ARG 72 2HH1 ARG 72 9.872 -13.457 9.562 524 HH21 ARG 72 1HH2 ARG 72 12.336 -12.186 7.430 525 HH22 ARG 72 2HH2 ARG 72 11.929 -12.578 9.067 526 H VAL 73 H VAL 73 4.170 -10.043 5.342 527 HA VAL 73 HA VAL 73 4.490 -10.648 2.508 528 HB VAL 73 HB VAL 73 3.055 -8.417 3.945 529 HG11 VAL 73 1HG1 VAL 73 4.077 -8.464 1.271 530 HG12 VAL 73 2HG1 VAL 73 2.313 -8.464 1.233 531 HG13 VAL 73 3HG1 VAL 73 3.178 -7.192 2.097 532 HG21 VAL 73 1HG2 VAL 73 1.793 -10.382 2.088 533 HG22 VAL 73 2HG2 VAL 73 2.174 -10.872 3.738 534 HG23 VAL 73 3HG2 VAL 73 1.090 -9.511 3.451 535 H GLY 74 H GLY 74 6.281 -10.055 1.488 536 HA2 GLY 74 1HA GLY 74 7.871 -7.837 2.567 537 HA3 GLY 74 2HA GLY 74 8.441 -9.060 1.442 538 H VAL 75 H VAL 75 6.408 -6.193 1.749 539 HA VAL 75 HA VAL 75 6.087 -5.907 -1.100 540 HB VAL 75 HB VAL 75 5.467 -3.954 1.121 541 HG11 VAL 75 1HG1 VAL 75 5.770 -3.269 -1.441 542 HG12 VAL 75 2HG1 VAL 75 4.098 -3.831 -1.501 543 HG13 VAL 75 3HG1 VAL 75 4.555 -2.535 -0.396 544 HG21 VAL 75 1HG2 VAL 75 3.749 -5.286 1.584 545 HG22 VAL 75 2HG2 VAL 75 3.115 -4.952 -0.027 546 HG23 VAL 75 3HG2 VAL 75 4.152 -6.354 0.240 547 H GLN 76 H GLN 76 7.174 -4.574 -2.466 548 HA GLN 76 HA GLN 76 9.339 -2.935 -1.335 549 HB2 GLN 76 1HB GLN 76 10.192 -5.082 -2.299 550 HB3 GLN 76 2HB GLN 76 9.559 -4.578 -3.860 551 HG2 GLN 76 1HG GLN 76 11.927 -4.140 -3.732 552 HG3 GLN 76 2HG GLN 76 11.030 -2.625 -3.821 553 HE21 GLN 76 1HE2 GLN 76 12.993 -1.678 -2.983 554 HE22 GLN 76 2HE2 GLN 76 13.289 -1.699 -1.282 555 H VAL 77 H VAL 77 9.377 -0.897 -2.035 556 HA VAL 77 HA VAL 77 7.589 -0.165 -4.243 557 HB VAL 77 HB VAL 77 8.104 2.213 -3.331 558 HG11 VAL 77 1HG1 VAL 77 5.934 1.076 -3.187 559 HG12 VAL 77 2HG1 VAL 77 6.458 0.281 -1.701 560 HG13 VAL 77 3HG1 VAL 77 6.271 2.034 -1.746 561 HG21 VAL 77 1HG2 VAL 77 8.541 0.823 -0.734 562 HG22 VAL 77 2HG2 VAL 77 9.920 1.072 -1.805 563 HG23 VAL 77 3HG2 VAL 77 8.990 2.456 -1.230 564 H LEU 78 H LEU 78 8.428 0.290 -6.161 565 HA LEU 78 HA LEU 78 11.187 1.315 -6.288 566 HB2 LEU 78 1HB LEU 78 11.110 -1.003 -7.029 567 HB3 LEU 78 2HB LEU 78 9.839 -0.605 -8.184 568 HG LEU 78 HG LEU 78 12.469 0.788 -8.397 569 HD11 LEU 78 1HD1 LEU 78 12.884 -1.241 -10.080 570 HD12 LEU 78 2HD1 LEU 78 11.987 -2.097 -8.826 571 HD13 LEU 78 3HD1 LEU 78 13.472 -1.240 -8.417 572 HD21 LEU 78 1HD2 LEU 78 11.489 -0.026 -10.875 573 HD22 LEU 78 2HD2 LEU 78 11.396 1.589 -10.172 574 HD23 LEU 78 3HD2 LEU 78 10.064 0.453 -9.954 575 H ASP 79 H ASP 79 11.527 3.073 -7.528 576 HA ASP 79 HA ASP 79 9.238 4.485 -8.542 577 HB2 ASP 79 1HB ASP 79 11.117 6.121 -9.295 578 HB3 ASP 79 2HB ASP 79 10.793 5.924 -7.575 579 H ARG 80 H ARG 80 8.365 3.794 -10.394 580 HA ARG 80 HA ARG 80 10.038 2.757 -12.528 581 HB2 ARG 80 1HB ARG 80 7.047 3.026 -12.219 582 HB3 ARG 80 2HB ARG 80 7.814 2.408 -13.675 583 HG2 ARG 80 1HG ARG 80 8.961 0.743 -12.036 584 HG3 ARG 80 2HG ARG 80 7.625 1.177 -10.967 585 HD2 ARG 80 1HD ARG 80 6.895 -0.726 -12.143 586 HD3 ARG 80 2HD ARG 80 6.087 0.640 -12.911 587 HE ARG 80 HE ARG 80 7.314 0.265 -14.827 588 HH11 ARG 80 1HH1 ARG 80 8.532 -1.697 -12.222 589 HH12 ARG 80 2HH1 ARG 80 9.540 -2.663 -13.247 590 HH21 ARG 80 1HH2 ARG 80 8.637 -1.001 -16.187 591 HH22 ARG 80 2HH2 ARG 80 9.600 -2.267 -15.502 592 H LYS 81 H LYS 81 7.583 5.322 -12.193 593 HA LYS 81 HA LYS 81 8.676 6.615 -14.588 594 HB2 LYS 81 1HB LYS 81 6.121 7.199 -13.080 595 HB3 LYS 81 2HB LYS 81 6.618 7.943 -14.594 596 HG2 LYS 81 1HG LYS 81 5.140 6.345 -15.320 597 HG3 LYS 81 2HG LYS 81 6.679 5.494 -15.467 598 HD2 LYS 81 1HD LYS 81 6.233 4.103 -13.706 599 HD3 LYS 81 2HD LYS 81 5.203 5.284 -12.894 600 HE2 LYS 81 1HE LYS 81 3.824 3.487 -13.675 601 HE3 LYS 81 2HE LYS 81 3.491 4.911 -14.660 602 HZ1 LYS 81 1HZ LYS 81 5.543 3.087 -15.638 603 HZ2 LYS 81 2HZ LYS 81 4.378 3.965 -16.494 604 HZ3 LYS 81 3HZ LYS 81 3.946 2.533 -15.703 605 H ASP 82 H ASP 82 8.493 9.119 -14.457 606 HA ASP 82 HA ASP 82 10.149 9.933 -12.223 607 HB2 ASP 82 1HB ASP 82 10.741 11.786 -13.490 608 HB3 ASP 82 2HB ASP 82 10.408 10.589 -14.739 609 H GLY 83 H GLY 83 7.504 9.254 -11.496 610 HA2 GLY 83 1HA GLY 83 6.809 11.508 -9.936 611 HA3 GLY 83 2HA GLY 83 5.717 11.388 -11.308 612 H SER 84 H SER 84 5.627 8.553 -11.470 613 HA SER 84 HA SER 84 3.978 8.014 -9.102 614 HB2 SER 84 1HB SER 84 3.053 7.891 -11.512 615 HB3 SER 84 2HB SER 84 3.953 6.380 -11.631 616 HG SER 84 HG SER 84 1.586 6.835 -10.465 617 H PHE 85 H PHE 85 3.885 5.660 -8.448 618 HA PHE 85 HA PHE 85 6.486 4.332 -8.741 619 HB2 PHE 85 1HB PHE 85 5.057 4.902 -6.140 620 HB3 PHE 85 2HB PHE 85 6.397 3.769 -6.293 621 HD1 PHE 85 2HD PHE 85 5.532 7.314 -7.053 622 HD2 PHE 85 1HD PHE 85 8.533 4.523 -5.904 623 HE1 PHE 85 2HE PHE 85 7.124 9.163 -6.735 624 HE2 PHE 85 1HE PHE 85 10.130 6.368 -5.583 625 HZ PHE 85 HZ PHE 85 9.426 8.691 -6.000 626 H ILE 86 H ILE 86 6.438 2.045 -8.075 627 HA ILE 86 HA ILE 86 3.764 0.871 -8.477 628 HB ILE 86 HB ILE 86 5.343 0.523 -10.382 629 HG12 ILE 86 1HG1 ILE 86 4.746 -2.093 -9.012 630 HG13 ILE 86 2HG1 ILE 86 3.466 -1.072 -9.657 631 HG21 ILE 86 1HG2 ILE 86 7.408 0.385 -9.073 632 HG22 ILE 86 2HG2 ILE 86 6.867 -1.145 -8.385 633 HG23 ILE 86 3HG2 ILE 86 7.203 -1.025 -10.112 634 HD11 ILE 86 1HD1 ILE 86 4.166 -2.891 -11.176 635 HD12 ILE 86 2HD1 ILE 86 4.344 -1.281 -11.874 636 HD13 ILE 86 3HD1 ILE 86 5.760 -2.145 -11.277 637 H VAL 87 H VAL 87 3.093 -0.700 -7.107 638 HA VAL 87 HA VAL 87 4.934 -1.434 -4.926 639 HB VAL 87 HB VAL 87 1.916 -1.377 -4.825 640 HG11 VAL 87 1HG1 VAL 87 3.316 -1.265 -2.302 641 HG12 VAL 87 2HG1 VAL 87 2.060 -2.380 -2.844 642 HG13 VAL 87 3HG1 VAL 87 3.753 -2.709 -3.215 643 HG21 VAL 87 1HG2 VAL 87 2.088 0.651 -3.559 644 HG22 VAL 87 2HG2 VAL 87 3.850 0.573 -3.581 645 HG23 VAL 87 3HG2 VAL 87 2.962 0.873 -5.075 646 H ARG 88 H ARG 88 5.644 -3.450 -5.067 647 HA ARG 88 HA ARG 88 3.842 -5.504 -6.173 648 HB2 ARG 88 1HB ARG 88 5.903 -6.738 -6.818 649 HB3 ARG 88 2HB ARG 88 5.727 -5.194 -7.641 650 HG2 ARG 88 1HG ARG 88 7.367 -4.180 -6.220 651 HG3 ARG 88 2HG ARG 88 7.449 -5.625 -5.211 652 HD2 ARG 88 1HD ARG 88 8.244 -5.433 -8.115 653 HD3 ARG 88 2HD ARG 88 9.346 -5.509 -6.741 654 HE ARG 88 HE ARG 88 7.568 -7.731 -6.781 655 HH11 ARG 88 1HH1 ARG 88 10.457 -6.447 -8.239 656 HH12 ARG 88 2HH1 ARG 88 11.097 -8.003 -8.653 657 HH21 ARG 88 1HH2 ARG 88 8.400 -9.785 -7.320 658 HH22 ARG 88 2HH2 ARG 88 9.925 -9.901 -8.130 659 H TYR 89 H TYR 89 3.777 -7.529 -5.169 660 HA TYR 89 HA TYR 89 5.300 -7.968 -2.741 661 HB2 TYR 89 1HB TYR 89 3.579 -7.911 -1.213 662 HB3 TYR 89 2HB TYR 89 3.071 -6.624 -2.299 663 HD1 TYR 89 1HD TYR 89 1.577 -7.516 -4.348 664 HD2 TYR 89 2HD TYR 89 1.975 -9.433 -0.570 665 HE1 TYR 89 1HE TYR 89 -0.568 -8.664 -4.711 666 HE2 TYR 89 2HE TYR 89 -0.168 -10.587 -0.923 667 HH TYR 89 HH TYR 89 -1.557 -11.288 -3.025 668 H ARG 90 H ARG 90 5.171 -10.136 -1.965 669 HA ARG 90 HA ARG 90 4.004 -12.026 -3.902 670 HB2 ARG 90 1HB ARG 90 6.507 -11.864 -3.998 671 HB3 ARG 90 2HB ARG 90 6.554 -12.447 -2.339 672 HG2 ARG 90 1HG ARG 90 6.979 -14.297 -3.758 673 HG3 ARG 90 2HG ARG 90 5.348 -14.495 -3.114 674 HD2 ARG 90 1HD ARG 90 4.435 -13.560 -5.199 675 HD3 ARG 90 2HD ARG 90 6.073 -13.423 -5.838 676 HE ARG 90 HE ARG 90 5.944 -16.025 -5.240 677 HH11 ARG 90 1HH1 ARG 90 3.734 -13.939 -6.939 678 HH12 ARG 90 2HH1 ARG 90 3.118 -15.201 -7.953 679 HH21 ARG 90 1HH2 ARG 90 5.141 -17.695 -6.570 680 HH22 ARG 90 2HH2 ARG 90 3.918 -17.337 -7.742 681 H MET 91 H MET 91 3.031 -13.867 -3.099 682 HA MET 91 HA MET 91 3.059 -14.370 -0.236 683 HB2 MET 91 1HB MET 91 1.247 -12.743 -0.497 684 HB3 MET 91 2HB MET 91 0.503 -13.754 -1.729 685 HG2 MET 91 1HG MET 91 -0.188 -15.340 -0.201 686 HG3 MET 91 2HG MET 91 1.003 -14.849 1.001 687 HE1 MET 91 1HE MET 91 -1.441 -12.133 -0.867 688 HE2 MET 91 2HE MET 91 -2.002 -13.795 -1.048 689 HE3 MET 91 3HE MET 91 -2.898 -12.668 -0.029 690 H TYR 92 H TYR 92 3.074 -16.490 0.144 691 HA TYR 92 HA TYR 92 2.206 -18.287 -2.024 692 HB2 TYR 92 1HB TYR 92 4.428 -18.517 -0.008 693 HB3 TYR 92 2HB TYR 92 3.786 -19.939 -0.823 694 HD1 TYR 92 1HD TYR 92 5.649 -16.804 -1.265 695 HD2 TYR 92 2HD TYR 92 4.233 -20.341 -3.158 696 HE1 TYR 92 1HE TYR 92 7.129 -16.364 -3.180 697 HE2 TYR 92 2HE TYR 92 5.710 -19.912 -5.077 698 HH TYR 92 HH TYR 92 6.980 -18.299 -6.099 699 H ALA 93 H ALA 93 0.259 -17.379 -0.347 700 HA ALA 93 HA ALA 93 -0.546 -19.844 0.969 701 HB1 ALA 93 1HB ALA 93 -1.103 -18.804 3.069 702 HB2 ALA 93 2HB ALA 93 0.604 -18.527 2.721 703 HB3 ALA 93 3HB ALA 93 -0.567 -17.232 2.474 704 H SER 94 H SER 94 -2.848 -19.816 1.589 705 HA SER 94 HA SER 94 -4.508 -19.043 -0.471 706 HB2 SER 94 1HB SER 94 -5.139 -19.571 2.437 707 HB3 SER 94 2HB SER 94 -6.384 -19.322 1.214 708 HG SER 94 HG SER 94 -4.397 -21.204 0.676 709 H TYR 95 H TYR 95 -5.510 -17.223 -1.068 710 HA TYR 95 HA TYR 95 -5.440 -14.935 0.789 711 HB2 TYR 95 1HB TYR 95 -3.960 -14.183 -0.794 712 HB3 TYR 95 2HB TYR 95 -4.682 -15.142 -2.082 713 HD1 TYR 95 1HD TYR 95 -6.277 -12.659 0.192 714 HD2 TYR 95 2HD TYR 95 -5.122 -13.618 -3.788 715 HE1 TYR 95 1HE TYR 95 -7.458 -10.662 -0.625 716 HE2 TYR 95 2HE TYR 95 -6.298 -11.623 -4.617 717 HH TYR 95 HH TYR 95 -7.102 -9.121 -2.909 718 H LYS 96 H LYS 96 -7.492 -14.911 1.531 719 HA LYS 96 HA LYS 96 -9.685 -15.041 -0.419 720 HB2 LYS 96 1HB LYS 96 -9.469 -15.636 2.500 721 HB3 LYS 96 2HB LYS 96 -11.025 -15.127 1.858 722 HG2 LYS 96 1HG LYS 96 -11.029 -17.484 1.847 723 HG3 LYS 96 2HG LYS 96 -10.812 -16.979 0.169 724 HD2 LYS 96 1HD LYS 96 -8.256 -17.173 0.816 725 HD3 LYS 96 2HD LYS 96 -8.891 -18.286 2.030 726 HE2 LYS 96 1HE LYS 96 -9.453 -18.467 -0.928 727 HE3 LYS 96 2HE LYS 96 -8.213 -19.396 -0.086 728 HZ1 LYS 96 1HZ LYS 96 -9.763 -20.676 0.978 729 HZ2 LYS 96 2HZ LYS 96 -10.562 -20.400 -0.487 730 HZ3 LYS 96 3HZ LYS 96 -10.981 -19.506 0.886 731 H ASN 97 H ASN 97 -8.316 -13.066 2.159 732 HA ASN 97 HA ASN 97 -9.454 -10.691 1.010 733 HB2 ASN 97 1HB ASN 97 -10.462 -10.087 3.351 734 HB3 ASN 97 2HB ASN 97 -11.395 -11.067 2.223 735 HD21 ASN 97 1HD2 ASN 97 -12.371 -12.701 3.146 736 HD22 ASN 97 2HD2 ASN 97 -11.794 -13.609 4.499 737 H LEU 98 H LEU 98 -8.012 -9.114 1.232 738 HA LEU 98 HA LEU 98 -6.107 -9.269 3.477 739 HB2 LEU 98 1HB LEU 98 -5.547 -8.024 0.798 740 HB3 LEU 98 2HB LEU 98 -4.399 -8.388 2.084 741 HG LEU 98 HG LEU 98 -5.891 -10.559 0.639 742 HD11 LEU 98 1HD1 LEU 98 -3.281 -9.273 -0.145 743 HD12 LEU 98 2HD1 LEU 98 -4.773 -9.306 -1.085 744 HD13 LEU 98 3HD1 LEU 98 -3.886 -10.801 -0.786 745 HD21 LEU 98 1HD2 LEU 98 -3.157 -10.717 1.841 746 HD22 LEU 98 2HD2 LEU 98 -4.335 -12.000 1.564 747 HD23 LEU 98 3HD2 LEU 98 -4.588 -10.836 2.865 748 H LYS 99 H LYS 99 -5.168 -7.163 4.113 749 HA LYS 99 HA LYS 99 -7.112 -4.974 3.767 750 HB2 LYS 99 1HB LYS 99 -7.142 -6.000 6.039 751 HB3 LYS 99 2HB LYS 99 -5.453 -5.548 6.228 752 HG2 LYS 99 1HG LYS 99 -6.140 -3.167 5.890 753 HG3 LYS 99 2HG LYS 99 -7.818 -3.711 5.950 754 HD2 LYS 99 1HD LYS 99 -5.877 -4.367 8.145 755 HD3 LYS 99 2HD LYS 99 -6.752 -2.834 8.117 756 HE2 LYS 99 1HE LYS 99 -8.859 -3.959 8.201 757 HE3 LYS 99 2HE LYS 99 -8.093 -5.529 7.965 758 HZ1 LYS 99 1HZ LYS 99 -7.183 -3.998 10.261 759 HZ2 LYS 99 2HZ LYS 99 -7.486 -5.655 10.115 760 HZ3 LYS 99 3HZ LYS 99 -8.770 -4.578 10.347 761 H VAL 100 H VAL 100 -6.224 -3.483 2.497 762 HA VAL 100 HA VAL 100 -3.359 -3.094 2.404 763 HB VAL 100 HB VAL 100 -5.553 -1.598 0.962 764 HG11 VAL 100 1HG1 VAL 100 -3.958 -0.483 -0.247 765 HG12 VAL 100 2HG1 VAL 100 -3.139 -0.608 1.311 766 HG13 VAL 100 3HG1 VAL 100 -2.735 -1.728 0.010 767 HG21 VAL 100 1HG2 VAL 100 -5.771 -3.505 -0.183 768 HG22 VAL 100 2HG2 VAL 100 -4.201 -3.119 -0.887 769 HG23 VAL 100 3HG2 VAL 100 -4.301 -4.191 0.510 770 H GLU 101 H GLU 101 -2.239 -1.595 3.472 771 HA GLU 101 HA GLU 101 -3.677 0.704 4.609 772 HB2 GLU 101 1HB GLU 101 -1.925 -1.275 6.007 773 HB3 GLU 101 2HB GLU 101 -1.919 0.397 6.549 774 HG2 GLU 101 1HG GLU 101 -4.496 0.124 6.599 775 HG3 GLU 101 2HG GLU 101 -4.134 -1.601 6.611 776 H ILE 102 H ILE 102 -2.829 2.528 3.882 777 HA ILE 102 HA ILE 102 0.047 2.586 3.235 778 HB ILE 102 HB ILE 102 -2.127 4.240 1.947 779 HG12 ILE 102 1HG1 ILE 102 -1.209 2.754 -0.071 780 HG13 ILE 102 2HG1 ILE 102 -0.881 1.626 1.240 781 HG21 ILE 102 1HG2 ILE 102 -0.476 5.531 1.222 782 HG22 ILE 102 2HG2 ILE 102 0.709 4.523 2.051 783 HG23 ILE 102 3HG2 ILE 102 0.230 4.140 0.398 784 HD11 ILE 102 1HD1 ILE 102 -3.578 2.877 0.974 785 HD12 ILE 102 2HD1 ILE 102 -3.126 1.492 -0.022 786 HD13 ILE 102 3HD1 ILE 102 -3.117 1.355 1.736 787 H LYS 103 H LYS 103 1.215 3.869 4.487 788 HA LYS 103 HA LYS 103 -0.025 6.293 5.594 789 HB2 LYS 103 1HB LYS 103 1.773 4.392 7.110 790 HB3 LYS 103 2HB LYS 103 1.150 5.919 7.721 791 HG2 LYS 103 1HG LYS 103 -1.049 5.105 7.825 792 HG3 LYS 103 2HG LYS 103 -0.666 3.707 6.819 793 HD2 LYS 103 1HD LYS 103 0.954 3.051 8.703 794 HD3 LYS 103 2HD LYS 103 0.074 4.226 9.682 795 HE2 LYS 103 1HE LYS 103 -1.964 3.029 9.433 796 HE3 LYS 103 2HE LYS 103 -1.276 1.989 8.186 797 HZ1 LYS 103 1HZ LYS 103 -1.312 1.582 10.953 798 HZ2 LYS 103 2HZ LYS 103 0.302 1.768 10.485 799 HZ3 LYS 103 3HZ LYS 103 -0.657 0.581 9.756 800 H PHE 104 H PHE 104 1.543 7.936 6.260 801 HA PHE 104 HA PHE 104 4.200 7.670 5.067 802 HB2 PHE 104 1HB PHE 104 3.124 8.711 3.260 803 HB3 PHE 104 2HB PHE 104 2.127 9.712 4.311 804 HD1 PHE 104 1HD PHE 104 5.658 9.164 3.285 805 HD2 PHE 104 2HD PHE 104 2.746 11.897 4.757 806 HE1 PHE 104 1HE PHE 104 7.274 11.005 3.054 807 HE2 PHE 104 2HE PHE 104 4.357 13.742 4.528 808 HZ PHE 104 HZ PHE 104 6.624 13.298 3.675 809 H GLN 105 H GLN 105 5.415 7.924 6.839 810 HA GLN 105 HA GLN 105 6.319 8.817 8.727 811 HB2 GLN 105 1HB GLN 105 5.277 11.324 7.408 812 HB3 GLN 105 2HB GLN 105 6.301 11.335 8.837 813 HG2 GLN 105 1HG GLN 105 7.973 10.007 7.477 814 HG3 GLN 105 2HG GLN 105 6.986 10.402 6.070 815 HE21 GLN 105 1HE2 GLN 105 9.345 11.268 5.724 816 HE22 GLN 105 2HE2 GLN 105 9.541 12.948 6.075 817 H GLY 106 H GLY 106 3.703 7.757 8.998 818 HA2 GLY 106 1HA GLY 106 2.268 7.574 10.817 819 HA3 GLY 106 2HA GLY 106 2.950 9.057 11.469 820 H GLN 107 H GLN 107 1.628 8.739 8.231 821 HA GLN 107 HA GLN 107 -0.828 10.093 9.025 822 HB2 GLN 107 1HB GLN 107 1.082 11.230 6.976 823 HB3 GLN 107 2HB GLN 107 -0.537 11.837 7.299 824 HG2 GLN 107 1HG GLN 107 0.070 12.567 9.466 825 HG3 GLN 107 2HG GLN 107 1.606 11.705 9.398 826 HE21 GLN 107 1HE2 GLN 107 2.736 13.608 9.853 827 HE22 GLN 107 2HE2 GLN 107 2.963 14.838 8.661 828 H HIS 108 H HIS 108 -2.443 9.042 8.097 829 HA HIS 108 HA HIS 108 -2.115 7.110 6.083 830 HB2 HIS 108 1HB HIS 108 -4.450 8.423 7.396 831 HB3 HIS 108 2HB HIS 108 -4.735 7.516 5.913 832 HD1 HIS 108 1HD HIS 108 -5.018 5.058 6.164 833 HD2 HIS 108 2HD HIS 108 -3.208 6.774 9.486 834 HE1 HIS 108 1HE HIS 108 -4.836 3.210 7.859 835 HE2 HIS 108 2HE HIS 108 -3.816 4.292 9.892 836 H VAL 109 H VAL 109 -2.355 7.148 3.903 837 HA VAL 109 HA VAL 109 -2.416 9.780 2.645 838 HB VAL 109 HB VAL 109 -1.765 7.050 1.531 839 HG11 VAL 109 1HG1 VAL 109 -2.542 9.467 0.176 840 HG12 VAL 109 2HG1 VAL 109 -0.887 9.023 -0.242 841 HG13 VAL 109 3HG1 VAL 109 -2.200 7.870 -0.488 842 HG21 VAL 109 1HG2 VAL 109 0.250 9.154 1.412 843 HG22 VAL 109 2HG2 VAL 109 -0.226 8.739 3.058 844 HG23 VAL 109 3HG2 VAL 109 0.384 7.488 1.975 845 H ALA 110 H ALA 110 -4.003 6.615 2.228 846 HA ALA 110 HA ALA 110 -6.223 8.001 0.876 847 HB1 ALA 110 1HB ALA 110 -6.528 6.209 -0.492 848 HB2 ALA 110 2HB ALA 110 -4.802 6.024 -0.181 849 HB3 ALA 110 3HB ALA 110 -5.968 5.050 0.714 850 H LYS 111 H LYS 111 -8.260 6.319 1.082 851 HA LYS 111 HA LYS 111 -9.047 6.573 3.826 852 HB2 LYS 111 1HB LYS 111 -10.391 5.533 1.345 853 HB3 LYS 111 2HB LYS 111 -11.142 5.357 2.926 854 HG2 LYS 111 1HG LYS 111 -10.255 8.009 1.829 855 HG3 LYS 111 2HG LYS 111 -11.869 7.345 1.566 856 HD2 LYS 111 1HD LYS 111 -10.772 7.530 4.341 857 HD3 LYS 111 2HD LYS 111 -11.431 8.971 3.562 858 HE2 LYS 111 1HE LYS 111 -12.918 6.362 3.817 859 HE3 LYS 111 2HE LYS 111 -13.063 7.692 4.965 860 HZ1 LYS 111 1HZ LYS 111 -14.289 8.905 3.539 861 HZ2 LYS 111 2HZ LYS 111 -14.651 7.399 2.861 862 HZ3 LYS 111 3HZ LYS 111 -13.454 8.372 2.167 863 H SER 112 H SER 112 -6.912 4.973 3.943 864 HA SER 112 HA SER 112 -7.719 2.189 3.904 865 HB2 SER 112 1HB SER 112 -5.172 3.672 4.290 866 HB3 SER 112 2HB SER 112 -5.302 2.094 5.068 867 HG SER 112 HG SER 112 -4.974 1.246 3.187 868 HA PRO 113 HA PRO 113 -6.396 0.438 5.086 869 HB2 PRO 113 1HB PRO 113 -7.736 -1.666 6.158 870 HB3 PRO 113 2HB PRO 113 -6.295 -0.965 6.903 871 HG2 PRO 113 1HG PRO 113 -9.180 -0.521 7.570 872 HG3 PRO 113 2HG PRO 113 -7.803 -0.759 8.662 873 HD2 PRO 113 1HD PRO 113 -8.837 1.687 8.133 874 HD3 PRO 113 2HD PRO 113 -7.113 1.432 8.473 875 H TYR 114 H TYR 114 -7.430 -1.387 3.767 876 HA TYR 114 HA TYR 114 -10.057 -0.498 2.770 877 HB2 TYR 114 1HB TYR 114 -7.579 -1.334 1.312 878 HB3 TYR 114 2HB TYR 114 -9.151 -1.617 0.574 879 HD1 TYR 114 1HD TYR 114 -10.698 0.387 0.258 880 HD2 TYR 114 2HD TYR 114 -6.565 0.776 1.190 881 HE1 TYR 114 1HE TYR 114 -10.739 2.708 -0.556 882 HE2 TYR 114 2HE TYR 114 -6.595 3.098 0.380 883 HH TYR 114 HH TYR 114 -8.032 4.857 -0.117 884 H ILE 115 H ILE 115 -11.534 -1.925 3.403 885 HA ILE 115 HA ILE 115 -10.830 -4.751 3.630 886 HB ILE 115 HB ILE 115 -13.419 -3.395 4.387 887 HG12 ILE 115 1HG1 ILE 115 -11.479 -2.516 5.658 888 HG13 ILE 115 2HG1 ILE 115 -12.602 -3.410 6.677 889 HG21 ILE 115 1HG2 ILE 115 -12.877 -6.072 4.044 890 HG22 ILE 115 2HG2 ILE 115 -12.670 -5.836 5.779 891 HG23 ILE 115 3HG2 ILE 115 -14.192 -5.395 5.005 892 HD11 ILE 115 1HD1 ILE 115 -10.563 -5.150 5.636 893 HD12 ILE 115 2HD1 ILE 115 -9.855 -3.769 6.474 894 HD13 ILE 115 3HD1 ILE 115 -11.010 -4.809 7.307 895 H LEU 116 H LEU 116 -10.965 -5.836 1.768 896 HA LEU 116 HA LEU 116 -13.325 -5.382 0.064 897 HB2 LEU 116 1HB LEU 116 -10.605 -6.427 -0.712 898 HB3 LEU 116 2HB LEU 116 -11.979 -6.239 -1.800 899 HG LEU 116 HG LEU 116 -11.800 -3.719 -0.985 900 HD11 LEU 116 1HD1 LEU 116 -10.032 -3.399 0.335 901 HD12 LEU 116 2HD1 LEU 116 -9.062 -3.574 -1.126 902 HD13 LEU 116 3HD1 LEU 116 -9.330 -4.964 -0.075 903 HD21 LEU 116 1HD2 LEU 116 -10.090 -5.048 -3.081 904 HD22 LEU 116 2HD2 LEU 116 -10.342 -3.306 -2.959 905 HD23 LEU 116 3HD2 LEU 116 -11.707 -4.374 -3.289 906 H LYS 117 H LYS 117 -14.739 -6.887 0.794 907 HA LYS 117 HA LYS 117 -14.003 -9.682 0.373 908 HB2 LYS 117 1HB LYS 117 -14.879 -10.415 2.488 909 HB3 LYS 117 2HB LYS 117 -13.668 -9.176 2.793 910 HG2 LYS 117 1HG LYS 117 -15.608 -7.537 2.925 911 HG3 LYS 117 2HG LYS 117 -16.653 -8.957 2.998 912 HD2 LYS 117 1HD LYS 117 -15.535 -9.727 4.996 913 HD3 LYS 117 2HD LYS 117 -14.368 -8.407 4.891 914 HE2 LYS 117 1HE LYS 117 -15.901 -7.676 6.491 915 HE3 LYS 117 2HE LYS 117 -16.408 -6.857 5.015 916 HZ1 LYS 117 1HZ LYS 117 -17.607 -9.384 6.008 917 HZ2 LYS 117 2HZ LYS 117 -18.151 -8.440 4.715 918 HZ3 LYS 117 3HZ LYS 117 -18.256 -7.849 6.297 919 H GLY 118 H GLY 118 -15.727 -11.027 -0.178 920 HA2 GLY 118 1HA GLY 118 -17.975 -11.563 -0.600 921 HA3 GLY 118 2HA GLY 118 -18.418 -9.905 -0.224 922 H SER 119 H SER 119 -17.962 -12.145 -2.674 923 HA SER 119 HA SER 119 -17.043 -10.608 -4.814 924 HB2 SER 119 1HB SER 119 -18.849 -13.012 -4.656 925 HB3 SER 119 2HB SER 119 -18.458 -12.262 -6.204 926 HG SER 119 HG SER 119 -17.061 -14.064 -5.184 927 H GLY 120 H GLY 120 -17.881 -8.587 -5.031 928 HA2 GLY 120 1HA GLY 120 -19.409 -6.927 -5.475 929 HA3 GLY 120 2HA GLY 120 -20.179 -8.142 -6.484 930 HA PRO 121 HA PRO 121 -23.681 -7.640 -3.842 931 HB2 PRO 121 1HB PRO 121 -25.123 -9.743 -4.773 932 HB3 PRO 121 2HB PRO 121 -24.942 -8.230 -5.669 933 HG2 PRO 121 1HG PRO 121 -23.478 -10.820 -6.006 934 HG3 PRO 121 2HG PRO 121 -24.135 -9.736 -7.247 935 HD2 PRO 121 1HD PRO 121 -21.509 -9.772 -6.587 936 HD3 PRO 121 2HD PRO 121 -22.340 -8.296 -7.119 937 H SER 122 H SER 122 -24.083 -8.295 -1.821 938 HA SER 122 HA SER 122 -23.371 -11.047 -1.060 939 HB2 SER 122 1HB SER 122 -21.608 -9.595 -0.229 940 HB3 SER 122 2HB SER 122 -22.797 -8.522 0.509 941 HG SER 122 HG SER 122 -22.912 -11.199 1.240 942 H SER 123 H SER 123 -24.915 -8.164 0.370 943 HA SER 123 HA SER 123 -26.571 -9.206 2.188 944 HB2 SER 123 1HB SER 123 -28.262 -7.455 1.563 945 HB3 SER 123 2HB SER 123 -26.618 -6.841 1.735 946 HG SER 123 HG SER 123 -27.799 -7.578 -0.737 947 H GLY 124 H GLY 124 -27.107 -9.358 -1.303 948 HA2 GLY 124 1HA GLY 124 -29.542 -10.929 -0.889 949 HA3 GLY 124 2HA GLY 124 -28.977 -10.279 -2.421 Start of MODEL 2 1 H1 GLY 1 H GLY 1 23.433 1.280 12.858 2 HA2 GLY 1 1HA GLY 1 24.420 3.574 14.406 3 HA3 GLY 1 2HA GLY 1 25.271 3.114 12.939 4 H SER 2 H SER 2 24.783 5.262 12.172 5 HA SER 2 HA SER 2 22.439 5.308 10.546 6 HB2 SER 2 1HB SER 2 21.784 6.107 12.984 7 HB3 SER 2 2HB SER 2 22.502 7.623 12.438 8 HG SER 2 HG SER 2 20.622 6.295 10.823 9 H SER 3 H SER 3 22.236 7.664 9.562 10 HA SER 3 HA SER 3 24.945 8.365 8.694 11 HB2 SER 3 1HB SER 3 23.836 9.458 6.782 12 HB3 SER 3 2HB SER 3 23.349 7.770 6.928 13 HG SER 3 HG SER 3 21.848 10.041 7.119 14 H GLY 4 H GLY 4 21.919 9.913 9.746 15 HA2 GLY 4 1HA GLY 4 21.759 11.746 11.203 16 HA3 GLY 4 2HA GLY 4 23.481 12.033 10.996 17 H SER 5 H SER 5 23.539 12.090 8.167 18 HA SER 5 HA SER 5 23.243 14.717 7.568 19 HB2 SER 5 1HB SER 5 23.259 14.123 5.227 20 HB3 SER 5 2HB SER 5 24.287 12.981 6.092 21 HG SER 5 HG SER 5 21.568 12.474 5.475 22 H SER 6 H SER 6 21.609 16.095 7.462 23 HA SER 6 HA SER 6 19.094 15.429 6.277 24 HB2 SER 6 1HB SER 6 19.030 14.497 8.698 25 HB3 SER 6 2HB SER 6 18.900 16.188 9.182 26 HG SER 6 HG SER 6 17.110 14.631 7.663 27 H GLY 7 H GLY 7 17.478 17.338 6.742 28 HA2 GLY 7 1HA GLY 7 18.231 19.851 7.544 29 HA3 GLY 7 2HA GLY 7 18.831 19.717 5.898 30 H GLU 8 H GLU 8 16.415 20.987 7.578 31 HA GLU 8 HA GLU 8 14.495 20.632 5.375 32 HB2 GLU 8 1HB GLU 8 14.069 20.416 8.314 33 HB3 GLU 8 2HB GLU 8 12.798 21.164 7.358 34 HG2 GLU 8 1HG GLU 8 13.953 18.453 6.767 35 HG3 GLU 8 2HG GLU 8 12.523 18.718 7.761 36 H THR 9 H THR 9 12.865 22.435 5.297 37 HA THR 9 HA THR 9 13.779 24.968 6.402 38 HB THR 9 HB THR 9 14.996 24.699 4.233 39 HG1 THR 9 1HG THR 9 14.219 26.803 3.428 40 HG21 THR 9 1HG2 THR 9 12.309 25.056 2.923 41 HG22 THR 9 2HG2 THR 9 13.056 23.473 3.135 42 HG23 THR 9 3HG2 THR 9 13.859 24.703 2.161 43 H GLY 10 H GLY 10 12.179 26.530 6.534 44 HA2 GLY 10 1HA GLY 10 9.466 25.527 6.025 45 HA3 GLY 10 2HA GLY 10 9.892 26.814 7.142 46 H GLY 11 H GLY 11 8.757 26.062 4.044 47 HA2 GLY 11 1HA GLY 11 7.882 28.547 3.348 48 HA3 GLY 11 2HA GLY 11 9.536 28.514 2.757 49 H GLU 12 H GLU 12 9.893 26.077 1.743 50 HA GLU 12 HA GLU 12 8.681 26.162 -0.748 51 HB2 GLU 12 1HB GLU 12 9.656 24.027 -1.174 52 HB3 GLU 12 2HB GLU 12 10.767 24.902 -0.130 53 HG2 GLU 12 1HG GLU 12 10.003 23.654 1.791 54 HG3 GLU 12 2HG GLU 12 8.796 22.830 0.806 55 H ARG 13 H ARG 13 7.479 24.099 -1.639 56 HA ARG 13 HA ARG 13 4.868 24.177 -0.659 57 HB2 ARG 13 1HB ARG 13 6.346 22.471 -2.595 58 HB3 ARG 13 2HB ARG 13 4.797 21.876 -2.014 59 HG2 ARG 13 1HG ARG 13 3.670 23.821 -2.837 60 HG3 ARG 13 2HG ARG 13 5.204 24.584 -3.260 61 HD2 ARG 13 1HD ARG 13 4.384 21.945 -4.430 62 HD3 ARG 13 2HD ARG 13 3.845 23.471 -5.132 63 HE ARG 13 HE ARG 13 6.469 22.320 -5.297 64 HH11 ARG 13 1HH1 ARG 13 4.646 25.285 -5.380 65 HH12 ARG 13 2HH1 ARG 13 5.830 26.140 -6.312 66 HH21 ARG 13 1HH2 ARG 13 8.035 23.435 -6.524 67 HH22 ARG 13 2HH2 ARG 13 7.757 25.086 -6.963 68 H GLN 14 H GLN 14 3.700 21.940 -0.188 69 HA GLN 14 HA GLN 14 5.233 20.404 1.778 70 HB2 GLN 14 1HB GLN 14 2.719 21.960 2.293 71 HB3 GLN 14 2HB GLN 14 3.078 20.516 3.229 72 HG2 GLN 14 1HG GLN 14 5.045 21.468 4.124 73 HG3 GLN 14 2HG GLN 14 4.997 22.810 2.982 74 HE21 GLN 14 1HE2 GLN 14 5.182 24.118 4.921 75 HE22 GLN 14 2HE2 GLN 14 3.754 24.510 5.812 76 H LEU 15 H LEU 15 5.083 18.352 1.189 77 HA LEU 15 HA LEU 15 2.938 17.414 -0.485 78 HB2 LEU 15 1HB LEU 15 4.896 16.387 -1.071 79 HB3 LEU 15 2HB LEU 15 5.471 16.295 0.592 80 HG LEU 15 HG LEU 15 4.064 14.393 1.029 81 HD11 LEU 15 1HD1 LEU 15 3.144 14.052 -1.737 82 HD12 LEU 15 2HD1 LEU 15 2.392 15.381 -0.857 83 HD13 LEU 15 3HD1 LEU 15 2.313 13.741 -0.213 84 HD21 LEU 15 1HD2 LEU 15 5.638 13.086 0.175 85 HD22 LEU 15 2HD2 LEU 15 6.179 14.431 -0.830 86 HD23 LEU 15 3HD2 LEU 15 4.978 13.296 -1.447 87 H SER 16 H SER 16 1.102 16.506 0.156 88 HA SER 16 HA SER 16 0.932 15.494 2.920 89 HB2 SER 16 1HB SER 16 -0.952 17.188 1.327 90 HB3 SER 16 2HB SER 16 -1.613 16.077 2.526 91 HG SER 16 HG SER 16 -1.225 18.030 3.527 92 HA PRO 17 HA PRO 17 -0.052 11.635 0.977 93 HB2 PRO 17 1HB PRO 17 -0.773 10.313 3.235 94 HB3 PRO 17 2HB PRO 17 0.910 10.652 2.817 95 HG2 PRO 17 1HG PRO 17 -0.903 12.106 4.705 96 HG3 PRO 17 2HG PRO 17 0.801 11.660 4.910 97 HD2 PRO 17 1HD PRO 17 0.023 14.156 4.208 98 HD3 PRO 17 2HD PRO 17 1.549 13.440 3.651 99 H GLU 18 H GLU 18 -2.264 13.038 3.384 100 HA GLU 18 HA GLU 18 -4.538 11.572 2.873 101 HB2 GLU 18 1HB GLU 18 -5.786 13.696 3.524 102 HB3 GLU 18 2HB GLU 18 -4.612 13.083 4.681 103 HG2 GLU 18 1HG GLU 18 -3.065 14.770 4.173 104 HG3 GLU 18 2HG GLU 18 -3.914 15.217 2.694 105 H LYS 19 H LYS 19 -3.294 14.372 1.113 106 HA LYS 19 HA LYS 19 -5.510 14.638 -0.637 107 HB2 LYS 19 1HB LYS 19 -2.688 15.644 -0.631 108 HB3 LYS 19 2HB LYS 19 -3.673 15.834 -2.076 109 HG2 LYS 19 1HG LYS 19 -4.297 16.901 0.669 110 HG3 LYS 19 2HG LYS 19 -3.773 17.835 -0.734 111 HD2 LYS 19 1HD LYS 19 -6.396 16.463 -0.253 112 HD3 LYS 19 2HD LYS 19 -6.087 18.146 -0.684 113 HE2 LYS 19 1HE LYS 19 -5.240 17.338 -2.893 114 HE3 LYS 19 2HE LYS 19 -5.779 15.720 -2.446 115 HZ1 LYS 19 1HZ LYS 19 -7.951 17.310 -1.991 116 HZ2 LYS 19 2HZ LYS 19 -7.722 16.293 -3.323 117 HZ3 LYS 19 3HZ LYS 19 -7.301 17.928 -3.425 118 H SER 20 H SER 20 -2.286 13.191 -1.099 119 HA SER 20 HA SER 20 -2.286 12.357 -3.634 120 HB2 SER 20 1HB SER 20 -1.601 10.594 -1.268 121 HB3 SER 20 2HB SER 20 -1.081 10.311 -2.930 122 HG SER 20 HG SER 20 0.016 11.901 -1.074 123 H GLU 21 H GLU 21 -3.358 11.011 -4.967 124 HA GLU 21 HA GLU 21 -5.643 9.549 -3.831 125 HB2 GLU 21 1HB GLU 21 -5.235 10.414 -6.697 126 HB3 GLU 21 2HB GLU 21 -6.695 9.726 -6.002 127 HG2 GLU 21 1HG GLU 21 -5.602 12.245 -4.856 128 HG3 GLU 21 2HG GLU 21 -6.471 12.301 -6.389 129 H ILE 22 H ILE 22 -5.689 7.399 -3.926 130 HA ILE 22 HA ILE 22 -3.638 6.046 -5.545 131 HB ILE 22 HB ILE 22 -5.129 4.976 -3.146 132 HG12 ILE 22 1HG1 ILE 22 -2.314 6.049 -3.417 133 HG13 ILE 22 2HG1 ILE 22 -3.622 6.760 -2.477 134 HG21 ILE 22 1HG2 ILE 22 -4.325 2.975 -3.667 135 HG22 ILE 22 2HG2 ILE 22 -3.732 3.645 -5.187 136 HG23 ILE 22 3HG2 ILE 22 -2.686 3.618 -3.767 137 HD11 ILE 22 1HD1 ILE 22 -2.651 5.689 -0.773 138 HD12 ILE 22 2HD1 ILE 22 -3.501 4.279 -1.404 139 HD13 ILE 22 3HD1 ILE 22 -1.812 4.554 -1.829 140 H TRP 23 H TRP 23 -4.259 4.867 -7.227 141 HA TRP 23 HA TRP 23 -7.036 3.887 -7.311 142 HB2 TRP 23 1HB TRP 23 -7.213 4.428 -9.627 143 HB3 TRP 23 2HB TRP 23 -6.592 5.866 -8.822 144 HD1 TRP 23 HD TRP 23 -5.474 3.045 -11.177 145 HE1 TRP 23 1HE TRP 23 -3.334 3.800 -12.391 146 HE3 TRP 23 3HE TRP 23 -4.610 7.410 -8.660 147 HZ2 TRP 23 2HZ TRP 23 -1.519 5.959 -12.293 148 HZ3 TRP 23 3HZ TRP 23 -2.650 8.761 -9.281 149 HH2 TRP 23 HH TRP 23 -1.137 8.049 -11.060 150 H GLY 24 H GLY 24 -7.380 1.964 -8.584 151 HA2 GLY 24 1HA GLY 24 -5.733 0.403 -9.996 152 HA3 GLY 24 2HA GLY 24 -5.124 0.142 -8.368 153 HA PRO 25 HA PRO 25 -9.203 -2.252 -9.408 154 HB2 PRO 25 1HB PRO 25 -8.317 -4.361 -10.870 155 HB3 PRO 25 2HB PRO 25 -8.906 -2.863 -11.602 156 HG2 PRO 25 1HG PRO 25 -6.090 -3.751 -11.111 157 HG3 PRO 25 2HG PRO 25 -6.781 -2.965 -12.542 158 HD2 PRO 25 1HD PRO 25 -5.360 -1.608 -10.679 159 HD3 PRO 25 2HD PRO 25 -6.693 -0.869 -11.589 160 H GLY 26 H GLY 26 -6.124 -2.759 -8.142 161 HA2 GLY 26 1HA GLY 26 -6.248 -5.417 -7.239 162 HA3 GLY 26 2HA GLY 26 -5.299 -4.135 -6.502 163 H LEU 27 H LEU 27 -8.167 -2.791 -6.358 164 HA LEU 27 HA LEU 27 -8.689 -3.827 -3.672 165 HB2 LEU 27 1HB LEU 27 -9.489 -1.307 -5.099 166 HB3 LEU 27 2HB LEU 27 -10.198 -1.781 -3.557 167 HG LEU 27 HG LEU 27 -7.595 -1.897 -2.905 168 HD11 LEU 27 1HD1 LEU 27 -7.796 0.269 -4.993 169 HD12 LEU 27 2HD1 LEU 27 -6.819 -1.195 -5.098 170 HD13 LEU 27 3HD1 LEU 27 -6.444 0.029 -3.885 171 HD21 LEU 27 1HD2 LEU 27 -9.396 -0.659 -1.758 172 HD22 LEU 27 2HD2 LEU 27 -9.233 0.636 -2.944 173 HD23 LEU 27 3HD2 LEU 27 -7.894 0.260 -1.859 174 H LYS 28 H LYS 28 -9.515 -5.146 -6.232 175 HA LYS 28 HA LYS 28 -12.433 -5.116 -5.840 176 HB2 LYS 28 1HB LYS 28 -11.002 -6.275 -8.224 177 HB3 LYS 28 2HB LYS 28 -12.699 -5.835 -8.082 178 HG2 LYS 28 1HG LYS 28 -10.657 -3.700 -7.762 179 HG3 LYS 28 2HG LYS 28 -10.987 -4.321 -9.381 180 HD2 LYS 28 1HD LYS 28 -12.528 -2.630 -9.278 181 HD3 LYS 28 2HD LYS 28 -13.492 -3.963 -8.637 182 HE2 LYS 28 1HE LYS 28 -12.592 -3.182 -6.338 183 HE3 LYS 28 2HE LYS 28 -12.208 -1.682 -7.181 184 HZ1 LYS 28 1HZ LYS 28 -14.461 -1.866 -6.033 185 HZ2 LYS 28 2HZ LYS 28 -14.911 -2.862 -7.324 186 HZ3 LYS 28 3HZ LYS 28 -14.437 -1.264 -7.614 187 H ALA 29 H ALA 29 -13.433 -7.330 -6.464 188 HA ALA 29 HA ALA 29 -12.702 -9.210 -4.549 189 HB1 ALA 29 1HB ALA 29 -14.909 -9.275 -5.387 190 HB2 ALA 29 2HB ALA 29 -14.352 -9.471 -7.050 191 HB3 ALA 29 3HB ALA 29 -14.153 -10.786 -5.892 192 H ASP 30 H ASP 30 -12.418 -9.687 -8.075 193 HA ASP 30 HA ASP 30 -10.021 -11.322 -7.555 194 HB2 ASP 30 1HB ASP 30 -12.176 -12.442 -8.476 195 HB3 ASP 30 2HB ASP 30 -11.745 -11.658 -9.993 196 H VAL 31 H VAL 31 -8.182 -10.666 -8.457 197 HA VAL 31 HA VAL 31 -8.320 -8.795 -10.730 198 HB VAL 31 HB VAL 31 -6.117 -7.861 -9.731 199 HG11 VAL 31 1HG1 VAL 31 -7.474 -6.120 -9.498 200 HG12 VAL 31 2HG1 VAL 31 -8.873 -7.190 -9.381 201 HG13 VAL 31 3HG1 VAL 31 -7.976 -6.746 -7.928 202 HG21 VAL 31 1HG2 VAL 31 -5.616 -9.294 -7.971 203 HG22 VAL 31 2HG2 VAL 31 -6.326 -7.901 -7.156 204 HG23 VAL 31 3HG2 VAL 31 -7.288 -9.356 -7.413 205 H VAL 32 H VAL 32 -6.097 -10.912 -8.915 206 HA VAL 32 HA VAL 32 -5.276 -12.222 -11.350 207 HB VAL 32 HB VAL 32 -2.852 -11.762 -11.004 208 HG11 VAL 32 1HG1 VAL 32 -4.414 -9.236 -11.505 209 HG12 VAL 32 2HG1 VAL 32 -2.844 -9.690 -12.172 210 HG13 VAL 32 3HG1 VAL 32 -4.298 -10.556 -12.668 211 HG21 VAL 32 1HG2 VAL 32 -2.668 -11.055 -8.784 212 HG22 VAL 32 2HG2 VAL 32 -2.390 -9.588 -9.722 213 HG23 VAL 32 3HG2 VAL 32 -3.956 -9.863 -8.959 214 H LEU 33 H LEU 33 -4.512 -14.250 -10.981 215 HA LEU 33 HA LEU 33 -5.044 -15.579 -8.639 216 HB2 LEU 33 1HB LEU 33 -4.696 -17.074 -10.296 217 HB3 LEU 33 2HB LEU 33 -3.407 -16.121 -11.028 218 HG LEU 33 HG LEU 33 -1.909 -16.935 -9.168 219 HD11 LEU 33 1HD1 LEU 33 -2.800 -19.216 -8.274 220 HD12 LEU 33 2HD1 LEU 33 -4.381 -18.499 -8.581 221 HD13 LEU 33 3HD1 LEU 33 -3.256 -17.713 -7.473 222 HD21 LEU 33 1HD2 LEU 33 -1.561 -17.902 -11.268 223 HD22 LEU 33 2HD2 LEU 33 -3.097 -18.767 -11.227 224 HD23 LEU 33 3HD2 LEU 33 -1.768 -19.279 -10.186 225 HA PRO 34 HA PRO 34 -0.430 -15.218 -7.267 226 HB2 PRO 34 1HB PRO 34 1.173 -13.551 -8.689 227 HB3 PRO 34 2HB PRO 34 0.966 -15.259 -9.091 228 HG2 PRO 34 1HG PRO 34 -0.338 -12.855 -10.309 229 HG3 PRO 34 2HG PRO 34 0.335 -14.289 -11.108 230 HD2 PRO 34 1HD PRO 34 -2.320 -13.969 -10.683 231 HD3 PRO 34 2HD PRO 34 -1.538 -15.562 -10.677 232 H ALA 35 H ALA 35 0.028 -12.092 -8.699 233 HA ALA 35 HA ALA 35 -1.398 -10.617 -6.695 234 HB1 ALA 35 1HB ALA 35 1.159 -9.629 -6.227 235 HB2 ALA 35 2HB ALA 35 0.174 -10.589 -5.123 236 HB3 ALA 35 3HB ALA 35 1.338 -11.383 -6.184 237 H ARG 36 H ARG 36 -1.502 -8.405 -7.141 238 HA ARG 36 HA ARG 36 -0.267 -7.593 -9.691 239 HB2 ARG 36 1HB ARG 36 -2.501 -7.656 -10.259 240 HB3 ARG 36 2HB ARG 36 -3.035 -7.237 -8.636 241 HG2 ARG 36 1HG ARG 36 -2.180 -4.927 -9.033 242 HG3 ARG 36 2HG ARG 36 -1.874 -5.391 -10.708 243 HD2 ARG 36 1HD ARG 36 -4.577 -5.814 -9.502 244 HD3 ARG 36 2HD ARG 36 -4.108 -4.213 -10.072 245 HE ARG 36 HE ARG 36 -4.670 -6.547 -11.688 246 HH11 ARG 36 1HH1 ARG 36 -3.260 -3.367 -11.545 247 HH12 ARG 36 2HH1 ARG 36 -3.346 -3.110 -13.256 248 HH21 ARG 36 1HH2 ARG 36 -4.788 -6.220 -13.942 249 HH22 ARG 36 2HH2 ARG 36 -4.216 -4.733 -14.619 250 H TYR 37 H TYR 37 0.042 -5.239 -9.930 251 HA TYR 37 HA TYR 37 0.647 -3.972 -7.339 252 HB2 TYR 37 1HB TYR 37 2.540 -2.855 -8.426 253 HB3 TYR 37 2HB TYR 37 2.690 -4.605 -8.541 254 HD1 TYR 37 1HD TYR 37 1.576 -1.620 -10.466 255 HD2 TYR 37 2HD TYR 37 3.020 -5.619 -10.619 256 HE1 TYR 37 1HE TYR 37 1.828 -1.429 -12.905 257 HE2 TYR 37 2HE TYR 37 3.278 -5.439 -13.058 258 HH TYR 37 HH TYR 37 2.286 -4.069 -14.917 259 H PHE 38 H PHE 38 0.114 -1.843 -7.053 260 HA PHE 38 HA PHE 38 -1.528 -0.641 -9.181 261 HB2 PHE 38 1HB PHE 38 -2.625 0.642 -7.354 262 HB3 PHE 38 2HB PHE 38 -2.828 -1.099 -7.190 263 HD1 PHE 38 1HD PHE 38 -1.284 -2.330 -5.588 264 HD2 PHE 38 2HD PHE 38 -1.719 1.904 -5.622 265 HE1 PHE 38 1HE PHE 38 -0.379 -2.222 -3.303 266 HE2 PHE 38 2HE PHE 38 -0.813 2.019 -3.337 267 HZ PHE 38 HZ PHE 38 -0.141 -0.045 -2.175 268 H TYR 39 H TYR 39 -1.602 1.822 -9.030 269 HA TYR 39 HA TYR 39 1.161 2.792 -8.763 270 HB2 TYR 39 1HB TYR 39 -1.120 3.943 -10.384 271 HB3 TYR 39 2HB TYR 39 0.531 4.551 -10.351 272 HD1 TYR 39 2HD TYR 39 2.386 2.929 -11.119 273 HD2 TYR 39 1HD TYR 39 -1.744 2.336 -11.953 274 HE1 TYR 39 2HE TYR 39 2.982 1.422 -12.969 275 HE2 TYR 39 1HE TYR 39 -1.159 0.827 -13.805 276 HH TYR 39 HH TYR 39 0.565 0.177 -15.177 277 H ILE 40 H ILE 40 1.519 4.926 -7.928 278 HA ILE 40 HA ILE 40 -0.663 6.011 -6.291 279 HB ILE 40 HB ILE 40 2.133 5.421 -5.320 280 HG12 ILE 40 1HG1 ILE 40 -0.455 4.596 -4.030 281 HG13 ILE 40 2HG1 ILE 40 0.246 3.642 -5.333 282 HG21 ILE 40 1HG2 ILE 40 1.948 7.224 -4.030 283 HG22 ILE 40 2HG2 ILE 40 0.276 7.486 -4.524 284 HG23 ILE 40 3HG2 ILE 40 0.640 6.393 -3.189 285 HD11 ILE 40 1HD1 ILE 40 0.798 3.426 -2.634 286 HD12 ILE 40 2HD1 ILE 40 1.711 2.705 -3.961 287 HD13 ILE 40 3HD1 ILE 40 2.199 4.265 -3.298 288 H GLN 41 H GLN 41 -0.820 8.175 -6.334 289 HA GLN 41 HA GLN 41 1.390 9.676 -7.576 290 HB2 GLN 41 1HB GLN 41 -0.433 9.712 -9.098 291 HB3 GLN 41 2HB GLN 41 -1.592 10.031 -7.816 292 HG2 GLN 41 1HG GLN 41 -1.373 12.072 -8.895 293 HG3 GLN 41 2HG GLN 41 -0.335 12.230 -7.478 294 HE21 GLN 41 1HE2 GLN 41 1.136 13.650 -8.201 295 HE22 GLN 41 2HE2 GLN 41 2.173 13.386 -9.558 296 H ALA 42 H ALA 42 2.214 11.358 -6.489 297 HA ALA 42 HA ALA 42 1.220 11.890 -3.821 298 HB1 ALA 42 1HB ALA 42 3.282 12.697 -3.345 299 HB2 ALA 42 2HB ALA 42 3.716 11.739 -4.761 300 HB3 ALA 42 3HB ALA 42 3.462 13.478 -4.917 301 H VAL 43 H VAL 43 0.550 13.903 -3.044 302 HA VAL 43 HA VAL 43 0.082 16.033 -4.994 303 HB VAL 43 HB VAL 43 -2.091 14.812 -3.289 304 HG11 VAL 43 1HG1 VAL 43 -2.007 17.373 -4.859 305 HG12 VAL 43 2HG1 VAL 43 -3.522 16.561 -4.459 306 HG13 VAL 43 3HG1 VAL 43 -2.459 17.133 -3.172 307 HG21 VAL 43 1HG2 VAL 43 -3.183 14.299 -5.366 308 HG22 VAL 43 2HG2 VAL 43 -1.933 15.140 -6.283 309 HG23 VAL 43 3HG2 VAL 43 -1.543 13.651 -5.421 310 H ASP 44 H ASP 44 0.082 18.078 -4.138 311 HA ASP 44 HA ASP 44 1.332 18.430 -1.613 312 HB2 ASP 44 1HB ASP 44 1.424 19.934 -3.730 313 HB3 ASP 44 2HB ASP 44 -0.055 20.647 -3.091 314 H THR 45 H THR 45 0.311 20.330 -0.187 315 HA THR 45 HA THR 45 -2.064 19.174 0.956 316 HB THR 45 HB THR 45 -1.725 20.541 2.805 317 HG1 THR 45 1HG THR 45 -0.925 22.573 2.701 318 HG21 THR 45 1HG2 THR 45 0.349 19.920 3.419 319 HG22 THR 45 2HG2 THR 45 1.106 20.784 2.080 320 HG23 THR 45 3HG2 THR 45 0.427 19.177 1.822 321 H SER 46 H SER 46 -1.806 20.930 -1.683 322 HA SER 46 HA SER 46 -4.149 22.619 -1.098 323 HB2 SER 46 1HB SER 46 -2.075 23.836 -1.802 324 HB3 SER 46 2HB SER 46 -2.153 22.984 -3.344 325 HG SER 46 HG SER 46 -3.483 24.479 -3.948 326 H GLY 47 H GLY 47 -2.651 20.542 -3.558 327 HA2 GLY 47 1HA GLY 47 -4.348 18.818 -4.369 328 HA3 GLY 47 2HA GLY 47 -5.308 20.225 -4.800 329 H ASN 48 H ASN 48 -1.813 19.936 -5.140 330 HA ASN 48 HA ASN 48 -2.169 19.986 -8.065 331 HB2 ASN 48 1HB ASN 48 -0.179 21.472 -6.348 332 HB3 ASN 48 2HB ASN 48 0.016 21.285 -8.088 333 HD21 ASN 48 1HD2 ASN 48 -2.406 22.306 -5.709 334 HD22 ASN 48 2HD2 ASN 48 -3.014 23.627 -6.642 335 H LYS 49 H LYS 49 -0.959 18.612 -9.265 336 HA LYS 49 HA LYS 49 0.200 16.358 -8.029 337 HB2 LYS 49 1HB LYS 49 0.424 17.362 -10.872 338 HB3 LYS 49 2HB LYS 49 0.969 15.781 -10.330 339 HG2 LYS 49 1HG LYS 49 -1.192 15.012 -9.984 340 HG3 LYS 49 2HG LYS 49 -1.864 16.642 -9.907 341 HD2 LYS 49 1HD LYS 49 -2.492 15.620 -12.000 342 HD3 LYS 49 2HD LYS 49 -1.344 16.924 -12.312 343 HE2 LYS 49 1HE LYS 49 0.452 15.339 -12.577 344 HE3 LYS 49 2HE LYS 49 -0.602 14.008 -12.105 345 HZ1 LYS 49 1HZ LYS 49 -1.821 15.337 -14.230 346 HZ2 LYS 49 2HZ LYS 49 -1.164 13.778 -14.219 347 HZ3 LYS 49 3HZ LYS 49 -0.203 15.097 -14.663 348 H PHE 50 H PHE 50 2.285 15.793 -7.609 349 HA PHE 50 HA PHE 50 4.199 17.934 -7.405 350 HB2 PHE 50 1HB PHE 50 4.007 15.127 -6.455 351 HB3 PHE 50 2HB PHE 50 5.627 15.785 -6.660 352 HD1 PHE 50 2HD PHE 50 6.308 17.797 -5.378 353 HD2 PHE 50 1HD PHE 50 2.626 15.787 -4.655 354 HE1 PHE 50 2HE PHE 50 6.131 18.915 -3.194 355 HE2 PHE 50 1HE PHE 50 2.443 16.902 -2.470 356 HZ PHE 50 HZ PHE 50 4.197 18.468 -1.736 357 H THR 51 H THR 51 3.926 14.908 -9.227 358 HA THR 51 HA THR 51 5.119 14.069 -10.986 359 HB THR 51 HB THR 51 5.077 15.376 -12.875 360 HG1 THR 51 1HG THR 51 5.409 17.824 -11.516 361 HG21 THR 51 1HG2 THR 51 3.315 16.807 -10.890 362 HG22 THR 51 2HG2 THR 51 2.860 15.520 -12.007 363 HG23 THR 51 3HG2 THR 51 3.276 17.119 -12.624 364 H SER 52 H SER 52 6.657 14.954 -8.594 365 HA SER 52 HA SER 52 9.281 15.165 -9.910 366 HB2 SER 52 1HB SER 52 10.025 16.506 -7.893 367 HB3 SER 52 2HB SER 52 8.908 17.335 -8.977 368 HG SER 52 HG SER 52 7.271 17.013 -7.534 369 H SER 53 H SER 53 11.064 14.294 -8.649 370 HA SER 53 HA SER 53 10.302 11.835 -7.351 371 HB2 SER 53 1HB SER 53 12.188 11.813 -8.885 372 HB3 SER 53 2HB SER 53 13.022 13.035 -7.925 373 HG SER 53 HG SER 53 13.070 10.395 -7.630 374 HA PRO 54 HA PRO 54 10.334 13.828 -3.335 375 HB2 PRO 54 1HB PRO 54 9.444 11.649 -1.983 376 HB3 PRO 54 2HB PRO 54 8.375 12.704 -2.915 377 HG2 PRO 54 1HG PRO 54 9.570 10.067 -3.677 378 HG3 PRO 54 2HG PRO 54 7.920 10.664 -3.933 379 HD2 PRO 54 1HD PRO 54 9.791 10.669 -5.891 380 HD3 PRO 54 2HD PRO 54 8.520 11.904 -5.781 381 H GLY 55 H GLY 55 11.503 10.481 -3.777 382 HA2 GLY 55 1HA GLY 55 14.127 10.878 -3.064 383 HA3 GLY 55 2HA GLY 55 13.284 10.622 -1.543 384 H GLU 56 H GLU 56 14.215 8.671 -1.040 385 HA GLU 56 HA GLU 56 13.999 6.488 -2.970 386 HB2 GLU 56 1HB GLU 56 16.142 6.831 -1.783 387 HB3 GLU 56 2HB GLU 56 15.324 6.545 -0.253 388 HG2 GLU 56 1HG GLU 56 14.741 4.274 -1.039 389 HG3 GLU 56 2HG GLU 56 15.687 4.573 -2.496 390 H LYS 57 H LYS 57 13.527 6.654 0.558 391 HA LYS 57 HA LYS 57 11.150 4.946 0.222 392 HB2 LYS 57 1HB LYS 57 13.078 5.211 2.531 393 HB3 LYS 57 2HB LYS 57 11.559 4.332 2.637 394 HG2 LYS 57 1HG LYS 57 13.654 3.685 0.586 395 HG3 LYS 57 2HG LYS 57 13.639 2.965 2.198 396 HD2 LYS 57 1HD LYS 57 11.677 1.799 1.799 397 HD3 LYS 57 2HD LYS 57 11.175 2.888 0.503 398 HE2 LYS 57 1HE LYS 57 13.621 1.175 0.231 399 HE3 LYS 57 2HE LYS 57 12.018 0.529 -0.114 400 HZ1 LYS 57 1HZ LYS 57 12.295 1.366 -2.139 401 HZ2 LYS 57 2HZ LYS 57 13.645 2.278 -1.683 402 HZ3 LYS 57 3HZ LYS 57 12.089 2.901 -1.458 403 H VAL 58 H VAL 58 9.618 6.555 -0.033 404 HA VAL 58 HA VAL 58 9.236 8.334 2.287 405 HB VAL 58 HB VAL 58 8.084 9.902 0.810 406 HG11 VAL 58 1HG1 VAL 58 9.994 10.911 0.171 407 HG12 VAL 58 2HG1 VAL 58 10.758 9.571 1.029 408 HG13 VAL 58 3HG1 VAL 58 10.563 9.502 -0.723 409 HG21 VAL 58 1HG2 VAL 58 8.182 9.579 -1.642 410 HG22 VAL 58 2HG2 VAL 58 8.807 7.952 -1.375 411 HG23 VAL 58 3HG2 VAL 58 7.185 8.374 -0.827 412 H PHE 59 H PHE 59 7.590 6.421 -0.201 413 HA PHE 59 HA PHE 59 5.151 6.457 1.435 414 HB2 PHE 59 1HB PHE 59 5.643 5.895 -1.482 415 HB3 PHE 59 2HB PHE 59 4.138 5.430 -0.695 416 HD1 PHE 59 1HD PHE 59 3.073 7.418 0.756 417 HD2 PHE 59 2HD PHE 59 5.660 7.895 -2.589 418 HE1 PHE 59 1HE PHE 59 2.184 9.684 0.396 419 HE2 PHE 59 2HE PHE 59 4.777 10.162 -2.955 420 HZ PHE 59 HZ PHE 59 3.037 11.060 -1.461 421 H GLN 60 H GLN 60 4.636 4.724 2.589 422 HA GLN 60 HA GLN 60 5.892 2.153 1.887 423 HB2 GLN 60 1HB GLN 60 6.601 3.192 4.063 424 HB3 GLN 60 2HB GLN 60 4.943 3.013 4.623 425 HG2 GLN 60 1HG GLN 60 5.078 0.689 4.664 426 HG3 GLN 60 2HG GLN 60 6.500 0.661 3.623 427 HE21 GLN 60 1HE2 GLN 60 8.154 -0.088 4.729 428 HE22 GLN 60 2HE2 GLN 60 8.585 0.352 6.343 429 H VAL 61 H VAL 61 4.658 0.243 2.139 430 HA VAL 61 HA VAL 61 1.760 0.622 2.443 431 HB VAL 61 HB VAL 61 3.055 -0.999 0.246 432 HG11 VAL 61 1HG1 VAL 61 0.878 -1.575 -0.483 433 HG12 VAL 61 2HG1 VAL 61 0.918 -1.898 1.252 434 HG13 VAL 61 3HG1 VAL 61 0.124 -0.445 0.642 435 HG21 VAL 61 1HG2 VAL 61 3.235 1.157 -0.538 436 HG22 VAL 61 2HG2 VAL 61 1.632 0.717 -1.128 437 HG23 VAL 61 3HG2 VAL 61 1.798 1.706 0.323 438 H LYS 62 H LYS 62 0.942 -0.734 3.888 439 HA LYS 62 HA LYS 62 2.470 -3.149 4.575 440 HB2 LYS 62 1HB LYS 62 2.233 -1.844 6.513 441 HB3 LYS 62 2HB LYS 62 0.571 -1.414 6.130 442 HG2 LYS 62 1HG LYS 62 0.481 -2.937 7.930 443 HG3 LYS 62 2HG LYS 62 -0.024 -3.830 6.494 444 HD2 LYS 62 1HD LYS 62 1.445 -5.292 7.565 445 HD3 LYS 62 2HD LYS 62 2.446 -4.536 6.323 446 HE2 LYS 62 1HE LYS 62 3.071 -2.846 8.159 447 HE3 LYS 62 2HE LYS 62 2.408 -4.033 9.281 448 HZ1 LYS 62 1HZ LYS 62 4.594 -4.551 7.338 449 HZ2 LYS 62 2HZ LYS 62 3.979 -5.657 8.460 450 HZ3 LYS 62 3HZ LYS 62 4.805 -4.280 8.995 451 H VAL 63 H VAL 63 1.512 -5.153 4.615 452 HA VAL 63 HA VAL 63 -1.272 -5.314 3.668 453 HB VAL 63 HB VAL 63 1.027 -7.052 2.757 454 HG11 VAL 63 1HG1 VAL 63 -1.818 -7.145 1.786 455 HG12 VAL 63 2HG1 VAL 63 -0.513 -8.286 1.458 456 HG13 VAL 63 3HG1 VAL 63 -1.214 -8.186 3.074 457 HG21 VAL 63 1HG2 VAL 63 0.777 -6.051 0.617 458 HG22 VAL 63 2HG2 VAL 63 -0.689 -5.204 1.110 459 HG23 VAL 63 3HG2 VAL 63 0.870 -4.734 1.787 460 H SER 64 H SER 64 -2.557 -6.701 4.736 461 HA SER 64 HA SER 64 -1.493 -8.930 6.223 462 HB2 SER 64 1HB SER 64 -1.174 -6.984 7.769 463 HB3 SER 64 2HB SER 64 -2.921 -6.738 7.745 464 HG SER 64 HG SER 64 -1.525 -9.028 8.673 465 H ALA 65 H ALA 65 -3.148 -10.335 7.045 466 HA ALA 65 HA ALA 65 -5.688 -10.002 5.606 467 HB1 ALA 65 1HB ALA 65 -3.925 -12.223 5.987 468 HB2 ALA 65 2HB ALA 65 -5.516 -12.610 6.643 469 HB3 ALA 65 3HB ALA 65 -5.356 -12.098 4.963 470 HA PRO 66 HA PRO 66 -7.860 -9.390 9.390 471 HB2 PRO 66 1HB PRO 66 -10.340 -10.133 8.573 472 HB3 PRO 66 2HB PRO 66 -9.587 -8.607 8.094 473 HG2 PRO 66 1HG PRO 66 -9.787 -11.179 6.576 474 HG3 PRO 66 2HG PRO 66 -10.024 -9.519 6.000 475 HD2 PRO 66 1HD PRO 66 -7.729 -10.893 5.580 476 HD3 PRO 66 2HD PRO 66 -7.761 -9.132 5.800 477 H GLU 67 H GLU 67 -8.299 -12.448 7.654 478 HA GLU 67 HA GLU 67 -9.273 -13.816 9.998 479 HB2 GLU 67 1HB GLU 67 -8.415 -14.904 7.310 480 HB3 GLU 67 2HB GLU 67 -9.234 -15.821 8.567 481 HG2 GLU 67 1HG GLU 67 -10.354 -13.447 7.094 482 HG3 GLU 67 2HG GLU 67 -10.779 -15.136 6.824 483 H GLU 68 H GLU 68 -6.405 -14.258 7.918 484 HA GLU 68 HA GLU 68 -5.060 -16.025 9.613 485 HB2 GLU 68 1HB GLU 68 -3.857 -14.043 7.672 486 HB3 GLU 68 2HB GLU 68 -3.046 -15.452 8.339 487 HG2 GLU 68 1HG GLU 68 -4.560 -16.929 7.196 488 HG3 GLU 68 2HG GLU 68 -5.514 -15.562 6.622 489 H GLN 69 H GLN 69 -4.701 -15.576 11.698 490 HA GLN 69 HA GLN 69 -4.372 -13.065 12.844 491 HB2 GLN 69 1HB GLN 69 -3.439 -14.263 14.791 492 HB3 GLN 69 2HB GLN 69 -4.903 -15.021 14.178 493 HG2 GLN 69 1HG GLN 69 -3.661 -16.774 13.156 494 HG3 GLN 69 2HG GLN 69 -2.134 -15.955 13.477 495 HE21 GLN 69 1HE2 GLN 69 -1.055 -17.040 14.952 496 HE22 GLN 69 2HE2 GLN 69 -1.707 -17.716 16.402 497 H PHE 70 H PHE 70 -2.146 -14.979 11.060 498 HA PHE 70 HA PHE 70 -0.051 -12.989 11.579 499 HB2 PHE 70 1HB PHE 70 0.380 -15.113 12.862 500 HB3 PHE 70 2HB PHE 70 0.501 -15.948 11.317 501 HD1 PHE 70 2HD PHE 70 1.853 -12.780 12.765 502 HD2 PHE 70 1HD PHE 70 2.648 -16.412 10.692 503 HE1 PHE 70 2HE PHE 70 4.235 -12.179 12.632 504 HE2 PHE 70 1HE PHE 70 5.032 -15.816 10.556 505 HZ PHE 70 HZ PHE 70 5.827 -13.697 11.526 506 H THR 71 H THR 71 0.448 -12.022 9.739 507 HA THR 71 HA THR 71 0.361 -13.597 7.248 508 HB THR 71 HB THR 71 -0.301 -10.664 7.573 509 HG1 THR 71 1HG THR 71 -1.883 -12.980 7.110 510 HG21 THR 71 1HG2 THR 71 0.491 -12.227 5.276 511 HG22 THR 71 2HG2 THR 71 0.210 -10.491 5.407 512 HG23 THR 71 3HG2 THR 71 -1.136 -11.580 5.072 513 H ARG 72 H ARG 72 2.083 -13.470 5.897 514 HA ARG 72 HA ARG 72 4.217 -11.562 6.578 515 HB2 ARG 72 1HB ARG 72 5.871 -13.346 6.032 516 HB3 ARG 72 2HB ARG 72 4.912 -13.686 7.467 517 HG2 ARG 72 1HG ARG 72 3.416 -15.073 5.956 518 HG3 ARG 72 2HG ARG 72 4.692 -14.927 4.745 519 HD2 ARG 72 1HD ARG 72 5.174 -15.956 7.532 520 HD3 ARG 72 2HD ARG 72 4.756 -17.006 6.178 521 HE ARG 72 HE ARG 72 7.017 -15.295 5.682 522 HH11 ARG 72 1HH1 ARG 72 5.949 -18.349 6.968 523 HH12 ARG 72 2HH1 ARG 72 7.485 -19.123 6.759 524 HH21 ARG 72 1HH2 ARG 72 9.044 -16.303 5.402 525 HH22 ARG 72 2HH2 ARG 72 9.245 -17.957 5.869 526 H VAL 73 H VAL 73 4.395 -10.221 4.910 527 HA VAL 73 HA VAL 73 4.585 -11.353 2.213 528 HB VAL 73 HB VAL 73 2.919 -8.921 2.875 529 HG11 VAL 73 1HG1 VAL 73 4.104 -8.861 0.690 530 HG12 VAL 73 2HG1 VAL 73 3.263 -10.345 0.240 531 HG13 VAL 73 3HG1 VAL 73 2.347 -8.869 0.544 532 HG21 VAL 73 1HG2 VAL 73 2.037 -11.279 3.469 533 HG22 VAL 73 2HG2 VAL 73 0.995 -10.184 2.561 534 HG23 VAL 73 3HG2 VAL 73 1.859 -11.474 1.726 535 H GLY 74 H GLY 74 6.154 -10.465 0.984 536 HA2 GLY 74 1HA GLY 74 7.793 -8.389 2.231 537 HA3 GLY 74 2HA GLY 74 8.263 -9.412 0.882 538 H VAL 75 H VAL 75 6.175 -6.700 1.784 539 HA VAL 75 HA VAL 75 5.662 -5.950 -0.938 540 HB VAL 75 HB VAL 75 5.176 -4.499 1.664 541 HG11 VAL 75 1HG1 VAL 75 3.911 -2.867 0.441 542 HG12 VAL 75 2HG1 VAL 75 5.536 -2.942 -0.244 543 HG13 VAL 75 3HG1 VAL 75 4.190 -3.722 -1.076 544 HG21 VAL 75 1HG2 VAL 75 2.951 -5.356 -0.062 545 HG22 VAL 75 2HG2 VAL 75 3.878 -6.658 0.684 546 HG23 VAL 75 3HG2 VAL 75 3.120 -5.425 1.692 547 H GLN 76 H GLN 76 6.751 -4.564 -2.202 548 HA GLN 76 HA GLN 76 8.819 -2.868 -0.997 549 HB2 GLN 76 1HB GLN 76 9.775 -5.028 -1.941 550 HB3 GLN 76 2HB GLN 76 9.301 -4.435 -3.527 551 HG2 GLN 76 1HG GLN 76 10.771 -2.563 -3.344 552 HG3 GLN 76 2HG GLN 76 11.127 -2.946 -1.660 553 HE21 GLN 76 1HE2 GLN 76 13.265 -2.643 -3.084 554 HE22 GLN 76 2HE2 GLN 76 13.994 -4.143 -3.535 555 H VAL 77 H VAL 77 8.949 -0.863 -1.839 556 HA VAL 77 HA VAL 77 7.216 -0.269 -4.146 557 HB VAL 77 HB VAL 77 7.121 2.044 -3.299 558 HG11 VAL 77 1HG1 VAL 77 6.094 -0.296 -1.852 559 HG12 VAL 77 2HG1 VAL 77 6.046 1.219 -0.949 560 HG13 VAL 77 3HG1 VAL 77 5.239 1.098 -2.512 561 HG21 VAL 77 1HG2 VAL 77 9.167 2.284 -2.133 562 HG22 VAL 77 2HG2 VAL 77 7.894 2.411 -0.920 563 HG23 VAL 77 3HG2 VAL 77 8.812 0.914 -1.081 564 H LEU 78 H LEU 78 8.198 0.256 -5.976 565 HA LEU 78 HA LEU 78 10.941 1.321 -5.847 566 HB2 LEU 78 1HB LEU 78 9.594 -0.581 -7.690 567 HB3 LEU 78 2HB LEU 78 10.833 0.480 -8.357 568 HG LEU 78 HG LEU 78 11.594 -1.824 -7.679 569 HD11 LEU 78 1HD1 LEU 78 13.642 -0.966 -7.494 570 HD12 LEU 78 2HD1 LEU 78 13.242 -0.116 -6.002 571 HD13 LEU 78 3HD1 LEU 78 12.864 0.616 -7.561 572 HD21 LEU 78 1HD2 LEU 78 12.062 -2.128 -5.262 573 HD22 LEU 78 2HD2 LEU 78 10.341 -2.110 -5.649 574 HD23 LEU 78 3HD2 LEU 78 11.100 -0.688 -4.931 575 H ASP 79 H ASP 79 11.550 2.811 -7.587 576 HA ASP 79 HA ASP 79 9.386 4.698 -8.100 577 HB2 ASP 79 1HB ASP 79 11.081 6.318 -8.547 578 HB3 ASP 79 2HB ASP 79 11.604 5.417 -7.127 579 H ARG 80 H ARG 80 8.292 4.544 -9.934 580 HA ARG 80 HA ARG 80 9.538 3.296 -12.264 581 HB2 ARG 80 1HB ARG 80 6.716 3.872 -11.443 582 HB3 ARG 80 2HB ARG 80 7.088 3.625 -13.144 583 HG2 ARG 80 1HG ARG 80 8.293 1.473 -12.211 584 HG3 ARG 80 2HG ARG 80 7.149 1.701 -10.886 585 HD2 ARG 80 1HD ARG 80 6.037 0.285 -12.382 586 HD3 ARG 80 2HD ARG 80 5.359 1.881 -12.699 587 HE ARG 80 HE ARG 80 7.527 1.463 -14.426 588 HH11 ARG 80 1HH1 ARG 80 4.300 0.286 -13.859 589 HH12 ARG 80 2HH1 ARG 80 4.025 -0.142 -15.515 590 HH21 ARG 80 1HH2 ARG 80 7.177 0.903 -16.609 591 HH22 ARG 80 2HH2 ARG 80 5.662 0.209 -17.079 592 H LYS 81 H LYS 81 7.607 6.203 -11.528 593 HA LYS 81 HA LYS 81 8.876 7.516 -13.841 594 HB2 LYS 81 1HB LYS 81 6.230 8.201 -12.548 595 HB3 LYS 81 2HB LYS 81 6.911 8.942 -13.991 596 HG2 LYS 81 1HG LYS 81 6.891 6.455 -14.862 597 HG3 LYS 81 2HG LYS 81 5.625 6.289 -13.644 598 HD2 LYS 81 1HD LYS 81 4.260 7.889 -14.687 599 HD3 LYS 81 2HD LYS 81 5.591 8.511 -15.665 600 HE2 LYS 81 1HE LYS 81 4.353 7.247 -17.176 601 HE3 LYS 81 2HE LYS 81 5.653 6.157 -16.698 602 HZ1 LYS 81 1HZ LYS 81 4.232 4.886 -15.419 603 HZ2 LYS 81 2HZ LYS 81 3.254 5.282 -16.741 604 HZ3 LYS 81 3HZ LYS 81 3.072 6.109 -15.277 605 H ASP 82 H ASP 82 8.973 9.960 -13.586 606 HA ASP 82 HA ASP 82 10.696 10.671 -11.565 607 HB2 ASP 82 1HB ASP 82 9.986 11.934 -13.738 608 HB3 ASP 82 2HB ASP 82 8.806 12.712 -12.687 609 H GLY 83 H GLY 83 7.169 10.983 -11.633 610 HA2 GLY 83 1HA GLY 83 7.268 11.507 -8.727 611 HA3 GLY 83 2HA GLY 83 6.141 12.344 -9.783 612 H SER 84 H SER 84 7.058 8.922 -9.792 613 HA SER 84 HA SER 84 4.413 8.199 -8.782 614 HB2 SER 84 1HB SER 84 4.485 8.337 -11.376 615 HB3 SER 84 2HB SER 84 5.428 6.851 -11.272 616 HG SER 84 HG SER 84 3.656 5.807 -10.881 617 H PHE 85 H PHE 85 4.250 5.832 -8.352 618 HA PHE 85 HA PHE 85 6.814 4.488 -7.982 619 HB2 PHE 85 1HB PHE 85 4.978 5.363 -5.784 620 HB3 PHE 85 2HB PHE 85 5.887 3.866 -5.601 621 HD1 PHE 85 2HD PHE 85 6.408 7.437 -6.534 622 HD2 PHE 85 1HD PHE 85 7.977 3.956 -4.653 623 HE1 PHE 85 2HE PHE 85 8.370 8.725 -5.796 624 HE2 PHE 85 1HE PHE 85 9.942 5.239 -3.911 625 HZ PHE 85 HZ PHE 85 10.141 7.626 -4.483 626 H ILE 86 H ILE 86 6.498 2.200 -7.237 627 HA ILE 86 HA ILE 86 3.908 1.111 -8.104 628 HB ILE 86 HB ILE 86 5.483 0.839 -9.955 629 HG12 ILE 86 1HG1 ILE 86 5.158 -1.867 -8.676 630 HG13 ILE 86 2HG1 ILE 86 3.766 -0.952 -9.244 631 HG21 ILE 86 1HG2 ILE 86 7.411 0.591 -8.080 632 HG22 ILE 86 2HG2 ILE 86 7.180 -1.097 -8.531 633 HG23 ILE 86 3HG2 ILE 86 7.600 0.094 -9.761 634 HD11 ILE 86 1HD1 ILE 86 4.800 -2.700 -10.800 635 HD12 ILE 86 2HD1 ILE 86 4.418 -1.112 -11.467 636 HD13 ILE 86 3HD1 ILE 86 6.083 -1.516 -11.049 637 H VAL 87 H VAL 87 3.083 -0.422 -6.812 638 HA VAL 87 HA VAL 87 4.749 -1.351 -4.576 639 HB VAL 87 HB VAL 87 1.741 -1.252 -4.834 640 HG11 VAL 87 1HG1 VAL 87 1.717 -2.828 -3.263 641 HG12 VAL 87 2HG1 VAL 87 3.468 -2.742 -3.054 642 HG13 VAL 87 3HG1 VAL 87 2.417 -1.635 -2.170 643 HG21 VAL 87 1HG2 VAL 87 3.268 0.254 -2.776 644 HG22 VAL 87 2HG2 VAL 87 3.268 0.869 -4.429 645 HG23 VAL 87 3HG2 VAL 87 1.744 0.652 -3.570 646 H ARG 88 H ARG 88 5.500 -3.351 -4.699 647 HA ARG 88 HA ARG 88 3.827 -5.418 -5.954 648 HB2 ARG 88 1HB ARG 88 6.763 -4.904 -6.414 649 HB3 ARG 88 2HB ARG 88 5.998 -6.441 -6.796 650 HG2 ARG 88 1HG ARG 88 4.568 -5.401 -8.409 651 HG3 ARG 88 2HG ARG 88 5.127 -3.796 -7.934 652 HD2 ARG 88 1HD ARG 88 6.840 -5.958 -9.154 653 HD3 ARG 88 2HD ARG 88 6.176 -4.571 -10.018 654 HE ARG 88 HE ARG 88 7.677 -3.700 -7.790 655 HH11 ARG 88 1HH1 ARG 88 8.059 -5.078 -10.964 656 HH12 ARG 88 2HH1 ARG 88 9.628 -4.388 -11.217 657 HH21 ARG 88 1HH2 ARG 88 9.742 -2.785 -8.111 658 HH22 ARG 88 2HH2 ARG 88 10.584 -3.084 -9.594 659 H TYR 89 H TYR 89 4.115 -7.539 -5.147 660 HA TYR 89 HA TYR 89 5.868 -7.940 -2.869 661 HB2 TYR 89 1HB TYR 89 3.954 -8.762 -1.455 662 HB3 TYR 89 2HB TYR 89 3.981 -7.022 -1.720 663 HD1 TYR 89 1HD TYR 89 2.354 -5.981 -3.267 664 HD2 TYR 89 2HD TYR 89 2.158 -10.113 -2.269 665 HE1 TYR 89 1HE TYR 89 0.044 -6.069 -4.109 666 HE2 TYR 89 2HE TYR 89 -0.152 -10.212 -3.110 667 HH TYR 89 HH TYR 89 -2.045 -8.630 -3.480 668 H ARG 90 H ARG 90 6.027 -10.169 -2.225 669 HA ARG 90 HA ARG 90 5.404 -11.982 -4.440 670 HB2 ARG 90 1HB ARG 90 7.766 -11.751 -3.618 671 HB3 ARG 90 2HB ARG 90 7.247 -12.458 -2.094 672 HG2 ARG 90 1HG ARG 90 8.077 -14.298 -3.166 673 HG3 ARG 90 2HG ARG 90 6.377 -14.388 -3.631 674 HD2 ARG 90 1HD ARG 90 7.598 -14.749 -5.614 675 HD3 ARG 90 2HD ARG 90 7.022 -13.085 -5.707 676 HE ARG 90 HE ARG 90 9.598 -13.149 -4.559 677 HH11 ARG 90 1HH1 ARG 90 7.967 -13.567 -7.606 678 HH12 ARG 90 2HH1 ARG 90 9.331 -13.074 -8.553 679 HH21 ARG 90 1HH2 ARG 90 11.401 -12.497 -5.795 680 HH22 ARG 90 2HH2 ARG 90 11.284 -12.466 -7.522 681 H MET 91 H MET 91 4.282 -13.884 -4.167 682 HA MET 91 HA MET 91 3.437 -14.788 -1.576 683 HB2 MET 91 1HB MET 91 1.881 -12.880 -2.055 684 HB3 MET 91 2HB MET 91 1.306 -13.768 -3.460 685 HG2 MET 91 1HG MET 91 -0.277 -14.296 -1.889 686 HG3 MET 91 2HG MET 91 0.832 -15.658 -1.752 687 HE1 MET 91 1HE MET 91 -0.871 -13.584 1.565 688 HE2 MET 91 2HE MET 91 -1.410 -13.906 -0.084 689 HE3 MET 91 3HE MET 91 -1.050 -15.247 1.004 690 H TYR 92 H TYR 92 2.925 -16.916 -1.610 691 HA TYR 92 HA TYR 92 2.574 -18.180 -4.248 692 HB2 TYR 92 1HB TYR 92 4.203 -19.148 -1.895 693 HB3 TYR 92 2HB TYR 92 3.786 -20.164 -3.270 694 HD1 TYR 92 1HD TYR 92 5.730 -17.228 -2.186 695 HD2 TYR 92 2HD TYR 92 4.917 -19.932 -5.369 696 HE1 TYR 92 1HE TYR 92 7.705 -16.394 -3.391 697 HE2 TYR 92 2HE TYR 92 6.891 -19.107 -6.582 698 HH TYR 92 HH TYR 92 9.166 -16.902 -5.107 699 H ALA 93 H ALA 93 0.342 -17.443 -2.987 700 HA ALA 93 HA ALA 93 -0.952 -19.948 -2.471 701 HB1 ALA 93 1HB ALA 93 -1.703 -19.539 -0.234 702 HB2 ALA 93 2HB ALA 93 0.057 -19.419 -0.257 703 HB3 ALA 93 3HB ALA 93 -0.926 -17.956 -0.210 704 H SER 94 H SER 94 -3.322 -19.609 -1.994 705 HA SER 94 HA SER 94 -4.280 -17.425 -3.676 706 HB2 SER 94 1HB SER 94 -5.636 -19.905 -2.599 707 HB3 SER 94 2HB SER 94 -6.466 -18.673 -3.550 708 HG SER 94 HG SER 94 -5.809 -19.992 -5.098 709 H TYR 95 H TYR 95 -5.487 -15.756 -2.969 710 HA TYR 95 HA TYR 95 -6.336 -15.768 -0.150 711 HB2 TYR 95 1HB TYR 95 -5.820 -13.263 -0.206 712 HB3 TYR 95 2HB TYR 95 -4.444 -14.358 -0.135 713 HD1 TYR 95 1HD TYR 95 -6.343 -12.053 -2.283 714 HD2 TYR 95 2HD TYR 95 -2.894 -14.524 -1.964 715 HE1 TYR 95 1HE TYR 95 -5.403 -10.990 -4.293 716 HE2 TYR 95 2HE TYR 95 -1.944 -13.468 -3.972 717 HH TYR 95 HH TYR 95 -3.429 -12.012 -6.160 718 H LYS 96 H LYS 96 -8.423 -15.358 0.125 719 HA LYS 96 HA LYS 96 -10.018 -14.492 -2.143 720 HB2 LYS 96 1HB LYS 96 -10.523 -16.371 -0.334 721 HB3 LYS 96 2HB LYS 96 -11.219 -15.010 0.537 722 HG2 LYS 96 1HG LYS 96 -13.066 -15.666 -0.586 723 HG3 LYS 96 2HG LYS 96 -12.382 -14.607 -1.822 724 HD2 LYS 96 1HD LYS 96 -11.831 -17.566 -1.685 725 HD3 LYS 96 2HD LYS 96 -13.146 -16.867 -2.632 726 HE2 LYS 96 1HE LYS 96 -11.549 -16.918 -4.248 727 HE3 LYS 96 2HE LYS 96 -11.159 -15.351 -3.540 728 HZ1 LYS 96 1HZ LYS 96 -9.397 -16.315 -2.299 729 HZ2 LYS 96 2HZ LYS 96 -9.219 -16.841 -3.897 730 HZ3 LYS 96 3HZ LYS 96 -9.852 -17.887 -2.728 731 H ASN 97 H ASN 97 -8.961 -13.302 0.973 732 HA ASN 97 HA ASN 97 -9.956 -10.652 0.254 733 HB2 ASN 97 1HB ASN 97 -10.370 -11.622 3.066 734 HB3 ASN 97 2HB ASN 97 -11.150 -10.282 2.230 735 HD21 ASN 97 1HD2 ASN 97 -11.315 -13.562 3.063 736 HD22 ASN 97 2HD2 ASN 97 -12.754 -13.958 2.194 737 H LEU 98 H LEU 98 -8.635 -9.013 0.874 738 HA LEU 98 HA LEU 98 -6.513 -9.543 2.811 739 HB2 LEU 98 1HB LEU 98 -6.108 -8.748 -0.054 740 HB3 LEU 98 2HB LEU 98 -4.913 -8.377 1.187 741 HG LEU 98 HG LEU 98 -5.846 -11.164 0.507 742 HD11 LEU 98 1HD1 LEU 98 -3.260 -9.844 -0.288 743 HD12 LEU 98 2HD1 LEU 98 -4.650 -10.005 -1.359 744 HD13 LEU 98 3HD1 LEU 98 -3.840 -11.445 -0.744 745 HD21 LEU 98 1HD2 LEU 98 -3.254 -10.708 1.801 746 HD22 LEU 98 2HD2 LEU 98 -4.495 -11.916 2.134 747 HD23 LEU 98 3HD2 LEU 98 -4.654 -10.285 2.787 748 H LYS 99 H LYS 99 -5.418 -7.583 3.532 749 HA LYS 99 HA LYS 99 -7.171 -5.227 3.305 750 HB2 LYS 99 1HB LYS 99 -7.072 -6.207 5.563 751 HB3 LYS 99 2HB LYS 99 -5.324 -6.008 5.569 752 HG2 LYS 99 1HG LYS 99 -5.873 -3.502 5.152 753 HG3 LYS 99 2HG LYS 99 -7.465 -3.940 5.777 754 HD2 LYS 99 1HD LYS 99 -4.963 -4.676 7.259 755 HD3 LYS 99 2HD LYS 99 -5.685 -3.074 7.430 756 HE2 LYS 99 1HE LYS 99 -7.852 -4.263 7.984 757 HE3 LYS 99 2HE LYS 99 -6.903 -5.744 8.100 758 HZ1 LYS 99 1HZ LYS 99 -5.492 -4.082 9.650 759 HZ2 LYS 99 2HZ LYS 99 -6.690 -5.126 10.229 760 HZ3 LYS 99 3HZ LYS 99 -7.058 -3.503 9.923 761 H VAL 100 H VAL 100 -6.316 -3.262 2.800 762 HA VAL 100 HA VAL 100 -3.456 -3.231 2.091 763 HB VAL 100 HB VAL 100 -5.593 -1.414 0.978 764 HG11 VAL 100 1HG1 VAL 100 -3.599 -1.558 -0.862 765 HG12 VAL 100 2HG1 VAL 100 -3.743 -0.297 0.365 766 HG13 VAL 100 3HG1 VAL 100 -2.691 -1.686 0.645 767 HG21 VAL 100 1HG2 VAL 100 -4.756 -4.146 0.186 768 HG22 VAL 100 2HG2 VAL 100 -6.327 -3.358 0.047 769 HG23 VAL 100 3HG2 VAL 100 -5.045 -2.977 -1.102 770 H GLU 101 H GLU 101 -2.166 -1.538 2.731 771 HA GLU 101 HA GLU 101 -3.358 0.624 4.293 772 HB2 GLU 101 1HB GLU 101 -1.544 -1.489 5.343 773 HB3 GLU 101 2HB GLU 101 -1.280 0.157 5.901 774 HG2 GLU 101 1HG GLU 101 -3.546 0.282 6.725 775 HG3 GLU 101 2HG GLU 101 -3.894 -1.322 6.083 776 H ILE 102 H ILE 102 -2.515 2.502 3.696 777 HA ILE 102 HA ILE 102 0.235 2.543 2.640 778 HB ILE 102 HB ILE 102 -1.938 4.353 1.612 779 HG12 ILE 102 1HG1 ILE 102 -1.750 2.744 -0.440 780 HG13 ILE 102 2HG1 ILE 102 -1.181 1.579 0.751 781 HG21 ILE 102 1HG2 ILE 102 -0.017 3.923 -0.338 782 HG22 ILE 102 2HG2 ILE 102 -0.170 5.345 0.692 783 HG23 ILE 102 3HG2 ILE 102 0.904 4.028 1.162 784 HD11 ILE 102 1HD1 ILE 102 -3.716 3.049 1.265 785 HD12 ILE 102 2HD1 ILE 102 -3.705 1.714 0.112 786 HD13 ILE 102 3HD1 ILE 102 -3.217 1.439 1.784 787 H LYS 103 H LYS 103 1.501 3.745 3.876 788 HA LYS 103 HA LYS 103 0.401 6.198 5.071 789 HB2 LYS 103 1HB LYS 103 2.322 4.318 6.454 790 HB3 LYS 103 2HB LYS 103 1.633 5.792 7.121 791 HG2 LYS 103 1HG LYS 103 -0.547 4.826 7.194 792 HG3 LYS 103 2HG LYS 103 -0.003 3.405 6.298 793 HD2 LYS 103 1HD LYS 103 1.547 2.896 8.182 794 HD3 LYS 103 2HD LYS 103 0.820 4.229 9.081 795 HE2 LYS 103 1HE LYS 103 -1.411 2.952 8.481 796 HE3 LYS 103 2HE LYS 103 -0.316 1.576 8.351 797 HZ1 LYS 103 1HZ LYS 103 -0.975 1.534 10.552 798 HZ2 LYS 103 2HZ LYS 103 -0.945 3.217 10.718 799 HZ3 LYS 103 3HZ LYS 103 0.505 2.349 10.640 800 H PHE 104 H PHE 104 1.988 7.845 5.540 801 HA PHE 104 HA PHE 104 4.533 7.530 4.108 802 HB2 PHE 104 1HB PHE 104 3.461 8.766 2.489 803 HB3 PHE 104 2HB PHE 104 2.399 9.560 3.647 804 HD1 PHE 104 1HD PHE 104 5.740 9.575 2.130 805 HD2 PHE 104 2HD PHE 104 3.041 11.592 4.731 806 HE1 PHE 104 1HE PHE 104 7.187 11.565 2.084 807 HE2 PHE 104 2HE PHE 104 4.483 13.584 4.689 808 HZ PHE 104 HZ PHE 104 6.558 13.573 3.363 809 H GLN 105 H GLN 105 5.857 7.520 5.848 810 HA GLN 105 HA GLN 105 7.062 8.298 7.613 811 HB2 GLN 105 1HB GLN 105 5.974 10.851 6.469 812 HB3 GLN 105 2HB GLN 105 6.920 10.871 7.952 813 HG2 GLN 105 1HG GLN 105 8.856 10.254 6.893 814 HG3 GLN 105 2HG GLN 105 8.007 9.464 5.566 815 HE21 GLN 105 1HE2 GLN 105 8.749 10.475 3.817 816 HE22 GLN 105 2HE2 GLN 105 8.693 12.181 3.552 817 H GLY 106 H GLY 106 4.275 7.410 7.958 818 HA2 GLY 106 1HA GLY 106 3.157 7.027 9.995 819 HA3 GLY 106 2HA GLY 106 3.917 8.467 10.657 820 H GLN 107 H GLN 107 2.308 8.470 7.557 821 HA GLN 107 HA GLN 107 -0.054 9.743 8.723 822 HB2 GLN 107 1HB GLN 107 1.733 10.974 6.626 823 HB3 GLN 107 2HB GLN 107 0.085 11.514 6.921 824 HG2 GLN 107 1HG GLN 107 0.627 12.202 9.136 825 HG3 GLN 107 2HG GLN 107 2.221 11.456 9.035 826 HE21 GLN 107 1HE2 GLN 107 3.682 13.003 9.016 827 HE22 GLN 107 2HE2 GLN 107 3.629 14.442 8.061 828 H HIS 108 H HIS 108 -1.734 8.636 7.990 829 HA HIS 108 HA HIS 108 -1.750 6.798 5.934 830 HB2 HIS 108 1HB HIS 108 -3.875 8.320 7.369 831 HB3 HIS 108 2HB HIS 108 -4.331 7.436 5.916 832 HD1 HIS 108 1HD HIS 108 -4.122 4.833 6.003 833 HD2 HIS 108 2HD HIS 108 -3.352 6.760 9.603 834 HE1 HIS 108 1HE HIS 108 -4.176 3.030 7.756 835 HE2 HIS 108 2HE HIS 108 -3.792 4.233 9.936 836 H VAL 109 H VAL 109 -2.568 6.814 3.802 837 HA VAL 109 HA VAL 109 -2.429 9.458 2.510 838 HB VAL 109 HB VAL 109 -1.972 6.783 1.190 839 HG11 VAL 109 1HG1 VAL 109 -1.468 7.911 -0.724 840 HG12 VAL 109 2HG1 VAL 109 -2.638 9.040 -0.036 841 HG13 VAL 109 3HG1 VAL 109 -0.909 9.346 0.136 842 HG21 VAL 109 1HG2 VAL 109 0.037 8.744 2.294 843 HG22 VAL 109 2HG2 VAL 109 -0.256 7.099 2.860 844 HG23 VAL 109 3HG2 VAL 109 0.432 7.371 1.259 845 H ALA 110 H ALA 110 -4.051 6.298 2.297 846 HA ALA 110 HA ALA 110 -6.316 7.643 0.975 847 HB1 ALA 110 1HB ALA 110 -4.902 5.581 -0.028 848 HB2 ALA 110 2HB ALA 110 -6.162 4.705 0.842 849 HB3 ALA 110 3HB ALA 110 -6.600 5.879 -0.399 850 H LYS 111 H LYS 111 -8.326 5.930 1.299 851 HA LYS 111 HA LYS 111 -9.015 6.259 4.060 852 HB2 LYS 111 1HB LYS 111 -10.417 5.174 1.641 853 HB3 LYS 111 2HB LYS 111 -11.101 4.917 3.241 854 HG2 LYS 111 1HG LYS 111 -10.364 7.648 2.239 855 HG3 LYS 111 2HG LYS 111 -11.941 6.917 1.929 856 HD2 LYS 111 1HD LYS 111 -10.934 6.940 4.727 857 HD3 LYS 111 2HD LYS 111 -11.505 8.462 4.038 858 HE2 LYS 111 1HE LYS 111 -13.540 6.951 3.295 859 HE3 LYS 111 2HE LYS 111 -13.004 5.964 4.653 860 HZ1 LYS 111 1HZ LYS 111 -13.140 8.751 5.297 861 HZ2 LYS 111 2HZ LYS 111 -13.813 7.425 6.103 862 HZ3 LYS 111 3HZ LYS 111 -14.637 8.133 4.806 863 H SER 112 H SER 112 -6.832 4.687 4.099 864 HA SER 112 HA SER 112 -7.661 1.904 4.278 865 HB2 SER 112 1HB SER 112 -5.070 3.355 4.233 866 HB3 SER 112 2HB SER 112 -5.113 1.841 5.136 867 HG SER 112 HG SER 112 -5.638 2.279 2.395 868 HA PRO 113 HA PRO 113 -6.204 0.205 5.390 869 HB2 PRO 113 1HB PRO 113 -7.410 -1.810 6.752 870 HB3 PRO 113 2HB PRO 113 -5.882 -1.085 7.264 871 HG2 PRO 113 1HG PRO 113 -8.655 -0.561 8.261 872 HG3 PRO 113 2HG PRO 113 -7.152 -0.751 9.183 873 HD2 PRO 113 1HD PRO 113 -8.230 1.672 8.637 874 HD3 PRO 113 2HD PRO 113 -6.478 1.414 8.772 875 H TYR 114 H TYR 114 -7.212 -1.204 3.897 876 HA TYR 114 HA TYR 114 -9.997 -0.490 3.326 877 HB2 TYR 114 1HB TYR 114 -7.747 -1.550 1.635 878 HB3 TYR 114 2HB TYR 114 -9.416 -1.645 1.086 879 HD1 TYR 114 1HD TYR 114 -10.742 0.529 0.921 880 HD2 TYR 114 2HD TYR 114 -6.512 0.424 1.365 881 HE1 TYR 114 1HE TYR 114 -10.603 2.837 0.082 882 HE2 TYR 114 2HE TYR 114 -6.361 2.732 0.529 883 HH TYR 114 HH TYR 114 -9.155 4.713 0.087 884 H ILE 115 H ILE 115 -11.353 -1.844 4.333 885 HA ILE 115 HA ILE 115 -10.719 -4.665 4.599 886 HB ILE 115 HB ILE 115 -13.299 -3.349 5.418 887 HG12 ILE 115 1HG1 ILE 115 -11.518 -2.031 6.408 888 HG13 ILE 115 2HG1 ILE 115 -12.260 -3.030 7.653 889 HG21 ILE 115 1HG2 ILE 115 -11.895 -5.635 6.755 890 HG22 ILE 115 2HG2 ILE 115 -13.595 -5.177 6.837 891 HG23 ILE 115 3HG2 ILE 115 -12.944 -5.890 5.361 892 HD11 ILE 115 1HD1 ILE 115 -9.527 -2.940 6.743 893 HD12 ILE 115 2HD1 ILE 115 -10.213 -3.677 8.192 894 HD13 ILE 115 3HD1 ILE 115 -10.179 -4.577 6.676 895 H LEU 116 H LEU 116 -11.165 -6.039 3.019 896 HA LEU 116 HA LEU 116 -13.613 -5.618 1.435 897 HB2 LEU 116 1HB LEU 116 -10.938 -6.624 0.480 898 HB3 LEU 116 2HB LEU 116 -12.415 -6.644 -0.480 899 HG LEU 116 HG LEU 116 -12.381 -4.059 0.000 900 HD11 LEU 116 1HD1 LEU 116 -9.661 -4.978 0.736 901 HD12 LEU 116 2HD1 LEU 116 -10.606 -3.621 1.348 902 HD13 LEU 116 3HD1 LEU 116 -9.796 -3.498 -0.213 903 HD21 LEU 116 1HD2 LEU 116 -10.881 -5.659 -2.025 904 HD22 LEU 116 2HD2 LEU 116 -10.748 -3.901 -2.032 905 HD23 LEU 116 3HD2 LEU 116 -12.326 -4.666 -2.220 906 H LYS 117 H LYS 117 -14.882 -7.375 1.064 907 HA LYS 117 HA LYS 117 -13.981 -10.060 1.441 908 HB2 LYS 117 1HB LYS 117 -15.491 -10.580 3.349 909 HB3 LYS 117 2HB LYS 117 -14.162 -9.512 3.781 910 HG2 LYS 117 1HG LYS 117 -15.635 -7.597 3.728 911 HG3 LYS 117 2HG LYS 117 -16.973 -8.612 3.183 912 HD2 LYS 117 1HD LYS 117 -17.371 -8.435 5.460 913 HD3 LYS 117 2HD LYS 117 -16.498 -9.966 5.344 914 HE2 LYS 117 1HE LYS 117 -15.099 -7.361 5.879 915 HE3 LYS 117 2HE LYS 117 -15.782 -8.339 7.176 916 HZ1 LYS 117 1HZ LYS 117 -13.838 -9.392 7.161 917 HZ2 LYS 117 2HZ LYS 117 -13.373 -8.730 5.676 918 HZ3 LYS 117 3HZ LYS 117 -14.337 -10.120 5.718 919 H GLY 118 H GLY 118 -15.673 -11.641 1.021 920 HA2 GLY 118 1HA GLY 118 -18.240 -10.664 0.091 921 HA3 GLY 118 2HA GLY 118 -17.178 -11.261 -1.176 922 H SER 119 H SER 119 -19.388 -12.583 -1.134 923 HA SER 119 HA SER 119 -18.673 -15.231 -0.454 924 HB2 SER 119 1HB SER 119 -19.212 -14.546 1.823 925 HB3 SER 119 2HB SER 119 -20.782 -13.941 1.294 926 HG SER 119 HG SER 119 -20.110 -16.421 2.021 927 H GLY 120 H GLY 120 -20.440 -16.788 -0.940 928 HA2 GLY 120 1HA GLY 120 -22.342 -17.460 -2.098 929 HA3 GLY 120 2HA GLY 120 -22.740 -15.771 -2.371 930 HA PRO 121 HA PRO 121 -20.646 -17.934 -6.116 931 HB2 PRO 121 1HB PRO 121 -22.832 -18.803 -7.470 932 HB3 PRO 121 2HB PRO 121 -21.961 -19.808 -6.306 933 HG2 PRO 121 1HG PRO 121 -24.482 -18.237 -5.938 934 HG3 PRO 121 2HG PRO 121 -24.094 -19.875 -5.383 935 HD2 PRO 121 1HD PRO 121 -23.984 -17.720 -3.748 936 HD3 PRO 121 2HD PRO 121 -22.899 -19.113 -3.566 937 H SER 122 H SER 122 -20.126 -15.862 -6.797 938 HA SER 122 HA SER 122 -21.664 -13.723 -7.388 939 HB2 SER 122 1HB SER 122 -19.096 -14.127 -7.714 940 HB3 SER 122 2HB SER 122 -19.554 -14.489 -9.379 941 HG SER 122 HG SER 122 -20.564 -12.161 -8.211 942 H SER 123 H SER 123 -23.194 -13.160 -8.807 943 HA SER 123 HA SER 123 -24.510 -15.056 -10.384 944 HB2 SER 123 1HB SER 123 -25.340 -12.767 -9.481 945 HB3 SER 123 2HB SER 123 -24.666 -12.111 -10.972 946 HG SER 123 HG SER 123 -26.385 -12.795 -11.942 947 H GLY 124 H GLY 124 -23.810 -16.011 -12.171 948 HA2 GLY 124 1HA GLY 124 -21.664 -14.941 -13.739 949 HA3 GLY 124 2HA GLY 124 -22.576 -16.403 -14.082 Start of MODEL 3 1 H1 GLY 1 H GLY 1 31.011 5.918 -5.583 2 HA2 GLY 1 1HA GLY 1 31.809 8.008 -4.210 3 HA3 GLY 1 2HA GLY 1 32.982 8.084 -5.516 4 H SER 2 H SER 2 29.469 7.499 -5.300 5 HA SER 2 HA SER 2 29.072 9.161 -7.656 6 HB2 SER 2 1HB SER 2 27.882 7.017 -7.517 7 HB3 SER 2 2HB SER 2 27.091 7.545 -6.032 8 HG SER 2 HG SER 2 25.775 7.848 -7.893 9 H SER 3 H SER 3 28.367 11.196 -7.618 10 HA SER 3 HA SER 3 27.908 12.474 -5.064 11 HB2 SER 3 1HB SER 3 29.284 13.549 -6.840 12 HB3 SER 3 2HB SER 3 27.838 13.678 -7.841 13 HG SER 3 HG SER 3 26.918 14.944 -6.125 14 H GLY 4 H GLY 4 25.976 12.685 -4.162 15 HA2 GLY 4 1HA GLY 4 23.584 12.141 -5.725 16 HA3 GLY 4 2HA GLY 4 23.670 12.336 -3.980 17 H SER 5 H SER 5 22.552 14.026 -3.303 18 HA SER 5 HA SER 5 21.842 16.169 -5.076 19 HB2 SER 5 1HB SER 5 21.313 15.673 -2.142 20 HB3 SER 5 2HB SER 5 20.733 17.104 -2.994 21 HG SER 5 HG SER 5 19.092 15.744 -3.258 22 H SER 6 H SER 6 22.591 18.234 -5.124 23 HA SER 6 HA SER 6 25.126 18.718 -3.774 24 HB2 SER 6 1HB SER 6 23.672 20.065 -6.041 25 HB3 SER 6 2HB SER 6 25.046 20.839 -5.251 26 HG SER 6 HG SER 6 24.961 18.583 -6.883 27 H GLY 7 H GLY 7 22.077 20.507 -4.285 28 HA2 GLY 7 1HA GLY 7 21.788 21.254 -1.585 29 HA3 GLY 7 2HA GLY 7 22.601 22.554 -2.444 30 H GLU 8 H GLU 8 19.937 22.465 -1.181 31 HA GLU 8 HA GLU 8 18.314 23.083 -3.563 32 HB2 GLU 8 1HB GLU 8 16.325 22.512 -2.213 33 HB3 GLU 8 2HB GLU 8 17.410 21.145 -2.423 34 HG2 GLU 8 1HG GLU 8 18.325 21.564 -0.174 35 HG3 GLU 8 2HG GLU 8 17.157 22.868 0.032 36 H THR 9 H THR 9 18.809 23.890 -0.137 37 HA THR 9 HA THR 9 18.238 25.777 1.052 38 HB THR 9 HB THR 9 20.403 26.362 0.031 39 HG1 THR 9 1HG THR 9 18.896 28.731 -0.103 40 HG21 THR 9 1HG2 THR 9 18.635 27.335 -2.190 41 HG22 THR 9 2HG2 THR 9 20.080 26.327 -2.281 42 HG23 THR 9 3HG2 THR 9 20.225 28.047 -1.920 43 H GLY 10 H GLY 10 16.025 24.897 -0.427 44 HA2 GLY 10 1HA GLY 10 14.723 27.483 -0.963 45 HA3 GLY 10 2HA GLY 10 14.543 26.162 -2.107 46 H GLY 11 H GLY 11 12.351 27.376 -0.910 47 HA2 GLY 11 1HA GLY 11 11.487 25.428 1.124 48 HA3 GLY 11 2HA GLY 11 10.763 27.008 0.862 49 H GLU 12 H GLU 12 11.073 23.749 -0.424 50 HA GLU 12 HA GLU 12 9.305 24.057 -2.601 51 HB2 GLU 12 1HB GLU 12 10.049 21.595 -1.013 52 HB3 GLU 12 2HB GLU 12 9.140 21.568 -2.518 53 HG2 GLU 12 1HG GLU 12 11.352 21.070 -3.104 54 HG3 GLU 12 2HG GLU 12 11.107 22.751 -3.574 55 H ARG 13 H ARG 13 7.257 22.543 -2.655 56 HA ARG 13 HA ARG 13 5.356 23.728 -0.916 57 HB2 ARG 13 1HB ARG 13 5.159 21.440 -2.875 58 HB3 ARG 13 2HB ARG 13 3.779 22.057 -1.976 59 HG2 ARG 13 1HG ARG 13 5.479 23.768 -3.770 60 HG3 ARG 13 2HG ARG 13 4.025 22.928 -4.310 61 HD2 ARG 13 1HD ARG 13 4.085 24.867 -2.006 62 HD3 ARG 13 2HD ARG 13 3.687 25.326 -3.661 63 HE ARG 13 HE ARG 13 2.101 23.159 -2.613 64 HH11 ARG 13 1HH1 ARG 13 2.410 26.611 -2.949 65 HH12 ARG 13 2HH1 ARG 13 0.716 26.913 -2.747 66 HH21 ARG 13 1HH2 ARG 13 -0.131 23.544 -2.345 67 HH22 ARG 13 2HH2 ARG 13 -0.728 25.168 -2.402 68 H GLN 14 H GLN 14 3.621 22.024 0.024 69 HA GLN 14 HA GLN 14 5.158 20.288 1.841 70 HB2 GLN 14 1HB GLN 14 2.481 21.596 2.352 71 HB3 GLN 14 2HB GLN 14 3.417 20.649 3.501 72 HG2 GLN 14 1HG GLN 14 5.252 22.413 3.133 73 HG3 GLN 14 2HG GLN 14 3.958 23.392 2.442 74 HE21 GLN 14 1HE2 GLN 14 5.642 23.495 4.973 75 HE22 GLN 14 2HE2 GLN 14 4.482 23.744 6.229 76 H LEU 15 H LEU 15 5.043 18.462 0.501 77 HA LEU 15 HA LEU 15 2.849 17.420 -0.791 78 HB2 LEU 15 1HB LEU 15 4.713 16.228 -1.287 79 HB3 LEU 15 2HB LEU 15 5.326 16.294 0.364 80 HG LEU 15 HG LEU 15 3.692 14.536 0.991 81 HD11 LEU 15 1HD1 LEU 15 2.300 15.194 -1.176 82 HD12 LEU 15 2HD1 LEU 15 2.223 13.588 -0.454 83 HD13 LEU 15 3HD1 LEU 15 3.247 13.872 -1.861 84 HD21 LEU 15 1HD2 LEU 15 5.292 13.048 0.581 85 HD22 LEU 15 2HD2 LEU 15 6.106 14.293 -0.368 86 HD23 LEU 15 3HD2 LEU 15 5.027 13.143 -1.160 87 H SER 16 H SER 16 0.942 16.674 -0.157 88 HA SER 16 HA SER 16 0.619 15.878 2.662 89 HB2 SER 16 1HB SER 16 -0.651 17.909 1.995 90 HB3 SER 16 2HB SER 16 -1.500 16.950 0.783 91 HG SER 16 HG SER 16 -1.776 16.983 3.547 92 HA PRO 17 HA PRO 17 -0.194 11.820 1.067 93 HB2 PRO 17 1HB PRO 17 -0.985 10.715 3.418 94 HB3 PRO 17 2HB PRO 17 0.708 11.045 3.033 95 HG2 PRO 17 1HG PRO 17 -1.203 12.642 4.693 96 HG3 PRO 17 2HG PRO 17 0.498 12.254 5.008 97 HD2 PRO 17 1HD PRO 17 -0.292 14.652 4.028 98 HD3 PRO 17 2HD PRO 17 1.267 13.914 3.606 99 H GLU 18 H GLU 18 -2.529 13.273 3.340 100 HA GLU 18 HA GLU 18 -4.737 11.720 2.690 101 HB2 GLU 18 1HB GLU 18 -6.083 13.719 3.463 102 HB3 GLU 18 2HB GLU 18 -4.879 13.123 4.597 103 HG2 GLU 18 1HG GLU 18 -3.350 14.904 3.897 104 HG3 GLU 18 2HG GLU 18 -4.580 15.512 2.790 105 H LYS 19 H LYS 19 -3.598 14.733 1.215 106 HA LYS 19 HA LYS 19 -5.726 15.091 -0.579 107 HB2 LYS 19 1HB LYS 19 -2.903 16.047 -0.433 108 HB3 LYS 19 2HB LYS 19 -3.783 16.274 -1.939 109 HG2 LYS 19 1HG LYS 19 -5.158 17.107 0.541 110 HG3 LYS 19 2HG LYS 19 -3.772 18.072 0.028 111 HD2 LYS 19 1HD LYS 19 -5.827 18.981 -0.899 112 HD3 LYS 19 2HD LYS 19 -4.802 18.345 -2.188 113 HE2 LYS 19 1HE LYS 19 -7.064 17.674 -2.613 114 HE3 LYS 19 2HE LYS 19 -6.141 16.251 -2.135 115 HZ1 LYS 19 1HZ LYS 19 -7.736 17.807 -0.188 116 HZ2 LYS 19 2HZ LYS 19 -7.135 16.233 -0.033 117 HZ3 LYS 19 3HZ LYS 19 -8.413 16.549 -1.095 118 H SER 20 H SER 20 -2.667 13.340 -0.905 119 HA SER 20 HA SER 20 -2.659 12.711 -3.566 120 HB2 SER 20 1HB SER 20 -1.911 10.943 -1.228 121 HB3 SER 20 2HB SER 20 -1.511 10.580 -2.906 122 HG SER 20 HG SER 20 -0.757 12.973 -1.584 123 H GLU 21 H GLU 21 -3.437 10.971 -4.822 124 HA GLU 21 HA GLU 21 -5.771 9.570 -3.701 125 HB2 GLU 21 1HB GLU 21 -5.629 10.570 -6.542 126 HB3 GLU 21 2HB GLU 21 -7.026 9.921 -5.696 127 HG2 GLU 21 1HG GLU 21 -6.620 11.960 -4.103 128 HG3 GLU 21 2HG GLU 21 -5.774 12.612 -5.505 129 H ILE 22 H ILE 22 -5.556 7.444 -3.807 130 HA ILE 22 HA ILE 22 -3.585 6.296 -5.637 131 HB ILE 22 HB ILE 22 -5.065 5.027 -3.330 132 HG12 ILE 22 1HG1 ILE 22 -2.147 5.789 -3.541 133 HG13 ILE 22 2HG1 ILE 22 -3.364 6.796 -2.764 134 HG21 ILE 22 1HG2 ILE 22 -3.028 3.369 -3.742 135 HG22 ILE 22 2HG2 ILE 22 -4.579 3.178 -4.557 136 HG23 ILE 22 3HG2 ILE 22 -3.233 3.949 -5.394 137 HD11 ILE 22 1HD1 ILE 22 -2.014 4.392 -1.801 138 HD12 ILE 22 2HD1 ILE 22 -2.737 5.729 -0.908 139 HD13 ILE 22 3HD1 ILE 22 -3.753 4.420 -1.512 140 H TRP 23 H TRP 23 -4.173 5.330 -7.457 141 HA TRP 23 HA TRP 23 -6.951 4.376 -7.703 142 HB2 TRP 23 1HB TRP 23 -6.964 5.010 -10.002 143 HB3 TRP 23 2HB TRP 23 -6.336 6.389 -9.104 144 HD1 TRP 23 HD TRP 23 -5.246 3.681 -11.579 145 HE1 TRP 23 1HE TRP 23 -2.984 4.363 -12.599 146 HE3 TRP 23 3HE TRP 23 -4.228 7.747 -8.651 147 HZ2 TRP 23 2HZ TRP 23 -1.027 6.361 -12.214 148 HZ3 TRP 23 3HZ TRP 23 -2.140 8.988 -9.042 149 HH2 TRP 23 HH TRP 23 -0.573 8.307 -10.786 150 H GLY 24 H GLY 24 -7.288 2.536 -9.117 151 HA2 GLY 24 1HA GLY 24 -5.719 0.935 -10.499 152 HA3 GLY 24 2HA GLY 24 -5.068 0.642 -8.893 153 HA PRO 25 HA PRO 25 -9.019 -1.890 -9.903 154 HB2 PRO 25 1HB PRO 25 -7.897 -4.178 -10.839 155 HB3 PRO 25 2HB PRO 25 -8.390 -2.848 -11.894 156 HG2 PRO 25 1HG PRO 25 -5.667 -3.533 -10.854 157 HG3 PRO 25 2HG PRO 25 -6.147 -3.025 -12.484 158 HD2 PRO 25 1HD PRO 25 -5.038 -1.322 -10.695 159 HD3 PRO 25 2HD PRO 25 -6.230 -0.797 -11.902 160 H GLY 26 H GLY 26 -6.076 -2.171 -8.218 161 HA2 GLY 26 1HA GLY 26 -6.326 -4.603 -6.879 162 HA3 GLY 26 2HA GLY 26 -5.518 -3.181 -6.235 163 H LEU 27 H LEU 27 -8.369 -1.914 -6.704 164 HA LEU 27 HA LEU 27 -9.408 -2.783 -4.089 165 HB2 LEU 27 1HB LEU 27 -9.841 -0.140 -5.470 166 HB3 LEU 27 2HB LEU 27 -10.371 -0.580 -3.848 167 HG LEU 27 HG LEU 27 -7.469 -0.438 -4.638 168 HD11 LEU 27 1HD1 LEU 27 -7.623 1.755 -3.281 169 HD12 LEU 27 2HD1 LEU 27 -9.334 1.707 -3.706 170 HD13 LEU 27 3HD1 LEU 27 -8.112 1.761 -4.976 171 HD21 LEU 27 1HD2 LEU 27 -7.503 -1.613 -2.679 172 HD22 LEU 27 2HD2 LEU 27 -8.997 -0.859 -2.122 173 HD23 LEU 27 3HD2 LEU 27 -7.477 0.032 -2.042 174 H LYS 28 H LYS 28 -10.144 -4.372 -6.118 175 HA LYS 28 HA LYS 28 -12.947 -3.604 -6.590 176 HB2 LYS 28 1HB LYS 28 -10.981 -4.860 -8.490 177 HB3 LYS 28 2HB LYS 28 -12.715 -5.061 -8.708 178 HG2 LYS 28 1HG LYS 28 -12.670 -2.421 -8.480 179 HG3 LYS 28 2HG LYS 28 -11.020 -2.656 -9.060 180 HD2 LYS 28 1HD LYS 28 -13.441 -3.828 -10.418 181 HD3 LYS 28 2HD LYS 28 -12.748 -2.263 -10.848 182 HE2 LYS 28 1HE LYS 28 -11.674 -3.615 -12.352 183 HE3 LYS 28 2HE LYS 28 -10.527 -3.660 -11.014 184 HZ1 LYS 28 1HZ LYS 28 -12.037 -5.783 -12.167 185 HZ2 LYS 28 2HZ LYS 28 -12.293 -5.690 -10.498 186 HZ3 LYS 28 3HZ LYS 28 -10.722 -5.855 -11.105 187 H ALA 29 H ALA 29 -14.226 -5.669 -7.289 188 HA ALA 29 HA ALA 29 -14.154 -7.460 -5.094 189 HB1 ALA 29 1HB ALA 29 -15.918 -6.871 -7.261 190 HB2 ALA 29 2HB ALA 29 -15.689 -8.617 -7.154 191 HB3 ALA 29 3HB ALA 29 -16.257 -7.715 -5.749 192 H ASP 30 H ASP 30 -13.814 -8.211 -8.568 193 HA ASP 30 HA ASP 30 -12.475 -10.695 -7.941 194 HB2 ASP 30 1HB ASP 30 -13.906 -10.901 -9.782 195 HB3 ASP 30 2HB ASP 30 -13.386 -9.369 -10.478 196 H VAL 31 H VAL 31 -10.693 -9.522 -6.821 197 HA VAL 31 HA VAL 31 -8.853 -7.911 -8.230 198 HB VAL 31 HB VAL 31 -7.283 -8.405 -6.391 199 HG11 VAL 31 1HG1 VAL 31 -9.651 -7.996 -4.776 200 HG12 VAL 31 2HG1 VAL 31 -8.336 -6.881 -5.154 201 HG13 VAL 31 3HG1 VAL 31 -9.699 -7.048 -6.262 202 HG21 VAL 31 1HG2 VAL 31 -8.325 -9.784 -4.471 203 HG22 VAL 31 2HG2 VAL 31 -9.349 -10.472 -5.732 204 HG23 VAL 31 3HG2 VAL 31 -7.596 -10.640 -5.830 205 H VAL 32 H VAL 32 -6.383 -8.829 -8.041 206 HA VAL 32 HA VAL 32 -6.191 -10.704 -10.178 207 HB VAL 32 HB VAL 32 -3.748 -10.553 -9.824 208 HG11 VAL 32 1HG1 VAL 32 -5.064 -7.843 -9.746 209 HG12 VAL 32 2HG1 VAL 32 -3.515 -8.259 -10.480 210 HG13 VAL 32 3HG1 VAL 32 -5.014 -8.882 -11.169 211 HG21 VAL 32 1HG2 VAL 32 -4.635 -9.414 -7.272 212 HG22 VAL 32 2HG2 VAL 32 -3.127 -10.228 -7.689 213 HG23 VAL 32 3HG2 VAL 32 -3.338 -8.518 -8.063 214 H LEU 33 H LEU 33 -5.029 -12.730 -10.124 215 HA LEU 33 HA LEU 33 -5.862 -14.384 -7.944 216 HB2 LEU 33 1HB LEU 33 -4.579 -14.760 -10.572 217 HB3 LEU 33 2HB LEU 33 -4.204 -15.979 -9.355 218 HG LEU 33 HG LEU 33 -6.742 -16.212 -9.078 219 HD11 LEU 33 1HD1 LEU 33 -7.433 -14.215 -10.234 220 HD12 LEU 33 2HD1 LEU 33 -8.031 -15.628 -11.102 221 HD13 LEU 33 3HD1 LEU 33 -6.629 -14.748 -11.711 222 HD21 LEU 33 1HD2 LEU 33 -5.941 -17.080 -11.803 223 HD22 LEU 33 2HD2 LEU 33 -6.709 -17.991 -10.503 224 HD23 LEU 33 3HD2 LEU 33 -4.980 -17.647 -10.437 225 HA PRO 34 HA PRO 34 -1.132 -14.863 -7.130 226 HB2 PRO 34 1HB PRO 34 0.557 -13.271 -8.537 227 HB3 PRO 34 2HB PRO 34 0.036 -14.861 -9.108 228 HG2 PRO 34 1HG PRO 34 -0.986 -12.149 -9.860 229 HG3 PRO 34 2HG PRO 34 -0.643 -13.544 -10.901 230 HD2 PRO 34 1HD PRO 34 -3.151 -12.900 -10.108 231 HD3 PRO 34 2HD PRO 34 -2.639 -14.577 -10.389 232 H ALA 35 H ALA 35 -0.325 -11.676 -8.228 233 HA ALA 35 HA ALA 35 -0.905 -10.575 -5.560 234 HB1 ALA 35 1HB ALA 35 1.230 -9.310 -5.706 235 HB2 ALA 35 2HB ALA 35 1.444 -11.057 -5.588 236 HB3 ALA 35 3HB ALA 35 1.639 -10.248 -7.142 237 H ARG 36 H ARG 36 -0.911 -8.174 -5.525 238 HA ARG 36 HA ARG 36 -1.926 -7.105 -8.077 239 HB2 ARG 36 1HB ARG 36 -3.441 -5.711 -6.850 240 HB3 ARG 36 2HB ARG 36 -3.625 -7.356 -6.257 241 HG2 ARG 36 1HG ARG 36 -2.300 -6.836 -4.301 242 HG3 ARG 36 2HG ARG 36 -2.005 -5.206 -4.909 243 HD2 ARG 36 1HD ARG 36 -3.768 -5.220 -3.218 244 HD3 ARG 36 2HD ARG 36 -4.388 -4.717 -4.789 245 HE ARG 36 HE ARG 36 -4.851 -7.406 -4.699 246 HH11 ARG 36 1HH1 ARG 36 -5.681 -4.692 -2.683 247 HH12 ARG 36 2HH1 ARG 36 -7.165 -5.393 -2.126 248 HH21 ARG 36 1HH2 ARG 36 -6.801 -8.340 -3.974 249 HH22 ARG 36 2HH2 ARG 36 -7.800 -7.468 -2.860 250 H TYR 37 H TYR 37 -1.479 -4.904 -8.566 251 HA TYR 37 HA TYR 37 0.563 -3.577 -6.952 252 HB2 TYR 37 1HB TYR 37 2.145 -3.380 -8.659 253 HB3 TYR 37 2HB TYR 37 1.581 -5.038 -8.834 254 HD1 TYR 37 2HD TYR 37 0.033 -5.627 -10.680 255 HD2 TYR 37 1HD TYR 37 1.781 -1.760 -10.374 256 HE1 TYR 37 2HE TYR 37 -0.540 -5.189 -13.031 257 HE2 TYR 37 1HE TYR 37 1.212 -1.310 -12.724 258 HH TYR 37 HH TYR 37 -0.938 -2.703 -14.394 259 H PHE 38 H PHE 38 0.222 -1.452 -6.805 260 HA PHE 38 HA PHE 38 -1.458 -0.155 -8.843 261 HB2 PHE 38 1HB PHE 38 -2.492 1.191 -7.014 262 HB3 PHE 38 2HB PHE 38 -2.874 -0.525 -6.922 263 HD1 PHE 38 1HD PHE 38 -1.365 -1.949 -5.366 264 HD2 PHE 38 2HD PHE 38 -1.696 2.289 -5.148 265 HE1 PHE 38 1HE PHE 38 -0.545 -2.007 -3.047 266 HE2 PHE 38 2HE PHE 38 -0.877 2.237 -2.829 267 HZ PHE 38 HZ PHE 38 -0.299 0.087 -1.775 268 H TYR 39 H TYR 39 -1.297 2.278 -8.714 269 HA TYR 39 HA TYR 39 1.517 3.006 -8.273 270 HB2 TYR 39 1HB TYR 39 -0.564 4.313 -10.039 271 HB3 TYR 39 2HB TYR 39 1.110 4.834 -9.879 272 HD1 TYR 39 2HD TYR 39 2.717 2.516 -10.080 273 HD2 TYR 39 1HD TYR 39 -0.938 3.345 -12.093 274 HE1 TYR 39 2HE TYR 39 3.371 0.981 -11.887 275 HE2 TYR 39 1HE TYR 39 -0.295 1.812 -13.905 276 HH TYR 39 HH TYR 39 2.534 0.896 -14.622 277 H ILE 40 H ILE 40 2.066 4.893 -7.188 278 HA ILE 40 HA ILE 40 -0.113 6.111 -5.620 279 HB ILE 40 HB ILE 40 2.773 5.711 -4.823 280 HG12 ILE 40 1HG1 ILE 40 0.374 4.607 -3.394 281 HG13 ILE 40 2HG1 ILE 40 1.038 3.763 -4.788 282 HG21 ILE 40 1HG2 ILE 40 0.834 7.615 -3.930 283 HG22 ILE 40 2HG2 ILE 40 1.202 6.490 -2.624 284 HG23 ILE 40 3HG2 ILE 40 2.502 7.393 -3.402 285 HD11 ILE 40 1HD1 ILE 40 3.028 3.281 -3.702 286 HD12 ILE 40 2HD1 ILE 40 2.785 4.541 -2.492 287 HD13 ILE 40 3HD1 ILE 40 1.809 3.073 -2.444 288 H GLN 41 H GLN 41 -0.494 8.173 -6.053 289 HA GLN 41 HA GLN 41 1.620 9.761 -7.336 290 HB2 GLN 41 1HB GLN 41 -0.281 9.692 -8.741 291 HB3 GLN 41 2HB GLN 41 -1.383 9.956 -7.397 292 HG2 GLN 41 1HG GLN 41 -1.352 11.990 -8.516 293 HG3 GLN 41 2HG GLN 41 -0.260 12.234 -7.153 294 HE21 GLN 41 1HE2 GLN 41 0.544 14.007 -8.465 295 HE22 GLN 41 2HE2 GLN 41 1.737 13.686 -9.672 296 H ALA 42 H ALA 42 2.449 11.501 -6.353 297 HA ALA 42 HA ALA 42 1.595 12.093 -3.648 298 HB1 ALA 42 1HB ALA 42 4.036 12.182 -5.022 299 HB2 ALA 42 2HB ALA 42 3.652 13.852 -4.600 300 HB3 ALA 42 3HB ALA 42 3.729 12.619 -3.341 301 H VAL 43 H VAL 43 0.490 13.845 -2.992 302 HA VAL 43 HA VAL 43 0.013 16.004 -4.935 303 HB VAL 43 HB VAL 43 -2.063 14.733 -3.145 304 HG11 VAL 43 1HG1 VAL 43 -3.634 16.323 -4.136 305 HG12 VAL 43 2HG1 VAL 43 -2.349 17.155 -3.259 306 HG13 VAL 43 3HG1 VAL 43 -2.311 17.083 -5.021 307 HG21 VAL 43 1HG2 VAL 43 -1.427 13.519 -5.257 308 HG22 VAL 43 2HG2 VAL 43 -3.125 13.977 -5.132 309 HG23 VAL 43 3HG2 VAL 43 -2.032 14.914 -6.151 310 H ASP 44 H ASP 44 -0.364 18.069 -4.055 311 HA ASP 44 HA ASP 44 0.997 18.539 -1.568 312 HB2 ASP 44 1HB ASP 44 -0.494 20.548 -3.261 313 HB3 ASP 44 2HB ASP 44 0.766 20.877 -2.075 314 H THR 45 H THR 45 -0.164 20.461 -0.227 315 HA THR 45 HA THR 45 -2.289 19.186 1.148 316 HB THR 45 HB THR 45 -2.322 21.059 2.609 317 HG1 THR 45 1HG THR 45 -2.233 22.970 1.719 318 HG21 THR 45 1HG2 THR 45 0.467 21.512 2.172 319 HG22 THR 45 2HG2 THR 45 0.104 19.814 1.865 320 HG23 THR 45 3HG2 THR 45 -0.314 20.538 3.417 321 H SER 46 H SER 46 -2.184 21.345 -1.527 322 HA SER 46 HA SER 46 -4.980 22.124 -1.214 323 HB2 SER 46 1HB SER 46 -2.916 22.906 -3.287 324 HB3 SER 46 2HB SER 46 -4.562 23.534 -3.219 325 HG SER 46 HG SER 46 -2.379 24.264 -1.787 326 H GLY 47 H GLY 47 -2.923 20.597 -3.699 327 HA2 GLY 47 1HA GLY 47 -4.112 18.376 -4.385 328 HA3 GLY 47 2HA GLY 47 -5.338 19.499 -4.954 329 H ASN 48 H ASN 48 -1.807 19.792 -5.090 330 HA ASN 48 HA ASN 48 -2.038 19.969 -8.021 331 HB2 ASN 48 1HB ASN 48 -0.001 21.216 -6.163 332 HB3 ASN 48 2HB ASN 48 0.058 21.310 -7.920 333 HD21 ASN 48 1HD2 ASN 48 -1.237 22.612 -5.064 334 HD22 ASN 48 2HD2 ASN 48 -2.260 23.800 -5.788 335 H LYS 49 H LYS 49 -1.121 18.413 -9.176 336 HA LYS 49 HA LYS 49 0.140 16.186 -8.080 337 HB2 LYS 49 1HB LYS 49 0.012 17.304 -10.865 338 HB3 LYS 49 2HB LYS 49 0.966 15.867 -10.520 339 HG2 LYS 49 1HG LYS 49 -0.940 14.638 -9.868 340 HG3 LYS 49 2HG LYS 49 -1.943 16.089 -9.807 341 HD2 LYS 49 1HD LYS 49 -1.949 16.300 -12.162 342 HD3 LYS 49 2HD LYS 49 -0.641 15.129 -12.344 343 HE2 LYS 49 1HE LYS 49 -2.023 13.330 -12.005 344 HE3 LYS 49 2HE LYS 49 -3.168 14.255 -11.035 345 HZ1 LYS 49 1HZ LYS 49 -2.862 14.896 -13.885 346 HZ2 LYS 49 2HZ LYS 49 -4.213 15.075 -12.885 347 HZ3 LYS 49 3HZ LYS 49 -3.773 13.540 -13.443 348 H PHE 50 H PHE 50 2.211 15.636 -7.656 349 HA PHE 50 HA PHE 50 4.164 17.753 -7.557 350 HB2 PHE 50 1HB PHE 50 3.955 14.977 -6.513 351 HB3 PHE 50 2HB PHE 50 5.574 15.628 -6.748 352 HD1 PHE 50 1HD PHE 50 2.444 15.948 -4.877 353 HD2 PHE 50 2HD PHE 50 6.406 17.420 -5.380 354 HE1 PHE 50 1HE PHE 50 2.275 17.130 -2.725 355 HE2 PHE 50 2HE PHE 50 6.244 18.603 -3.229 356 HZ PHE 50 HZ PHE 50 4.177 18.458 -1.898 357 H THR 51 H THR 51 3.985 14.553 -9.109 358 HA THR 51 HA THR 51 5.166 13.634 -10.835 359 HB THR 51 HB THR 51 5.373 15.040 -12.849 360 HG1 THR 51 1HG THR 51 5.838 17.061 -12.236 361 HG21 THR 51 1HG2 THR 51 2.791 15.990 -12.389 362 HG22 THR 51 2HG2 THR 51 2.944 14.571 -11.353 363 HG23 THR 51 3HG2 THR 51 3.238 14.434 -13.086 364 H SER 52 H SER 52 6.738 14.764 -8.624 365 HA SER 52 HA SER 52 9.247 15.266 -10.086 366 HB2 SER 52 1HB SER 52 8.451 16.354 -7.375 367 HB3 SER 52 2HB SER 52 10.006 16.612 -8.166 368 HG SER 52 HG SER 52 7.558 17.336 -9.381 369 H SER 53 H SER 53 11.173 14.849 -8.452 370 HA SER 53 HA SER 53 10.774 12.112 -7.471 371 HB2 SER 53 1HB SER 53 13.263 11.962 -7.575 372 HB3 SER 53 2HB SER 53 12.526 12.324 -9.136 373 HG SER 53 HG SER 53 13.049 14.610 -7.847 374 HA PRO 54 HA PRO 54 10.927 14.222 -3.458 375 HB2 PRO 54 1HB PRO 54 9.767 12.173 -2.107 376 HB3 PRO 54 2HB PRO 54 8.840 13.368 -3.021 377 HG2 PRO 54 1HG PRO 54 9.662 10.601 -3.811 378 HG3 PRO 54 2HG PRO 54 8.104 11.414 -4.045 379 HD2 PRO 54 1HD PRO 54 9.939 11.183 -6.024 380 HD3 PRO 54 2HD PRO 54 8.846 12.576 -5.893 381 H GLY 55 H GLY 55 11.578 10.729 -3.853 382 HA2 GLY 55 1HA GLY 55 14.269 10.887 -3.055 383 HA3 GLY 55 2HA GLY 55 13.296 10.479 -1.650 384 H GLU 56 H GLU 56 14.793 8.548 -1.853 385 HA GLU 56 HA GLU 56 14.220 6.657 -3.936 386 HB2 GLU 56 1HB GLU 56 15.602 5.112 -2.486 387 HB3 GLU 56 2HB GLU 56 16.413 6.571 -3.037 388 HG2 GLU 56 1HG GLU 56 16.158 7.603 -0.897 389 HG3 GLU 56 2HG GLU 56 15.138 6.282 -0.329 390 H LYS 57 H LYS 57 13.365 7.006 -0.520 391 HA LYS 57 HA LYS 57 11.080 5.239 -0.962 392 HB2 LYS 57 1HB LYS 57 13.061 4.880 1.294 393 HB3 LYS 57 2HB LYS 57 11.528 4.030 1.152 394 HG2 LYS 57 1HG LYS 57 13.594 3.873 -1.011 395 HG3 LYS 57 2HG LYS 57 13.664 2.828 0.410 396 HD2 LYS 57 1HD LYS 57 11.727 1.706 -0.157 397 HD3 LYS 57 2HD LYS 57 11.117 3.042 -1.136 398 HE2 LYS 57 1HE LYS 57 11.732 1.455 -2.720 399 HE3 LYS 57 2HE LYS 57 13.120 2.542 -2.676 400 HZ1 LYS 57 1HZ LYS 57 14.344 0.747 -2.299 401 HZ2 LYS 57 2HZ LYS 57 12.987 -0.233 -2.057 402 HZ3 LYS 57 3HZ LYS 57 13.638 0.643 -0.765 403 H VAL 58 H VAL 58 9.471 6.633 -0.577 404 HA VAL 58 HA VAL 58 9.535 8.128 1.962 405 HB VAL 58 HB VAL 58 8.160 9.883 0.860 406 HG11 VAL 58 1HG1 VAL 58 10.582 10.147 1.150 407 HG12 VAL 58 2HG1 VAL 58 10.846 9.406 -0.430 408 HG13 VAL 58 3HG1 VAL 58 10.005 10.952 -0.309 409 HG21 VAL 58 1HG2 VAL 58 7.740 8.059 -1.099 410 HG22 VAL 58 2HG2 VAL 58 7.488 9.795 -1.288 411 HG23 VAL 58 3HG2 VAL 58 8.993 9.058 -1.836 412 H PHE 59 H PHE 59 7.708 6.241 -0.323 413 HA PHE 59 HA PHE 59 5.355 6.353 1.436 414 HB2 PHE 59 1HB PHE 59 5.700 5.773 -1.486 415 HB3 PHE 59 2HB PHE 59 4.289 5.161 -0.630 416 HD1 PHE 59 1HD PHE 59 3.173 7.063 0.943 417 HD2 PHE 59 2HD PHE 59 5.414 7.739 -2.612 418 HE1 PHE 59 1HE PHE 59 2.056 9.236 0.656 419 HE2 PHE 59 2HE PHE 59 4.301 9.914 -2.904 420 HZ PHE 59 HZ PHE 59 2.620 10.665 -1.269 421 H GLN 60 H GLN 60 4.438 4.492 2.251 422 HA GLN 60 HA GLN 60 5.831 1.962 1.721 423 HB2 GLN 60 1HB GLN 60 6.745 2.890 3.799 424 HB3 GLN 60 2HB GLN 60 5.121 3.027 4.461 425 HG2 GLN 60 1HG GLN 60 4.895 0.743 4.734 426 HG3 GLN 60 2HG GLN 60 6.153 0.376 3.554 427 HE21 GLN 60 1HE2 GLN 60 6.475 -1.012 5.672 428 HE22 GLN 60 2HE2 GLN 60 7.672 -0.380 6.745 429 H VAL 61 H VAL 61 4.593 0.060 2.204 430 HA VAL 61 HA VAL 61 1.723 0.482 2.629 431 HB VAL 61 HB VAL 61 2.887 -1.106 0.338 432 HG11 VAL 61 1HG1 VAL 61 0.481 -1.512 1.779 433 HG12 VAL 61 2HG1 VAL 61 0.058 -0.859 0.194 434 HG13 VAL 61 3HG1 VAL 61 1.033 -2.325 0.315 435 HG21 VAL 61 1HG2 VAL 61 1.219 1.401 0.439 436 HG22 VAL 61 2HG2 VAL 61 2.862 1.231 -0.178 437 HG23 VAL 61 3HG2 VAL 61 1.517 0.473 -1.030 438 H LYS 62 H LYS 62 0.875 -0.944 4.004 439 HA LYS 62 HA LYS 62 2.497 -3.280 4.744 440 HB2 LYS 62 1HB LYS 62 2.040 -1.768 6.587 441 HB3 LYS 62 2HB LYS 62 0.315 -1.830 6.252 442 HG2 LYS 62 1HG LYS 62 0.586 -3.248 8.071 443 HG3 LYS 62 2HG LYS 62 0.512 -4.345 6.690 444 HD2 LYS 62 1HD LYS 62 2.889 -4.618 6.694 445 HD3 LYS 62 2HD LYS 62 3.086 -3.342 7.898 446 HE2 LYS 62 1HE LYS 62 1.875 -4.707 9.533 447 HE3 LYS 62 2HE LYS 62 1.685 -5.980 8.328 448 HZ1 LYS 62 1HZ LYS 62 3.782 -5.659 10.085 449 HZ2 LYS 62 2HZ LYS 62 4.408 -5.224 8.575 450 HZ3 LYS 62 3HZ LYS 62 3.699 -6.745 8.790 451 H VAL 63 H VAL 63 1.669 -5.328 4.713 452 HA VAL 63 HA VAL 63 -1.083 -5.644 3.709 453 HB VAL 63 HB VAL 63 1.340 -7.234 2.853 454 HG11 VAL 63 1HG1 VAL 63 -0.038 -8.878 2.287 455 HG12 VAL 63 2HG1 VAL 63 -1.404 -7.973 2.943 456 HG13 VAL 63 3HG1 VAL 63 -0.939 -7.769 1.254 457 HG21 VAL 63 1HG2 VAL 63 0.868 -6.312 0.631 458 HG22 VAL 63 2HG2 VAL 63 -0.447 -5.353 1.311 459 HG23 VAL 63 3HG2 VAL 63 1.218 -5.039 1.801 460 H SER 64 H SER 64 -2.278 -6.695 5.140 461 HA SER 64 HA SER 64 -1.302 -9.116 6.382 462 HB2 SER 64 1HB SER 64 -0.491 -7.535 8.008 463 HB3 SER 64 2HB SER 64 -2.037 -6.688 8.029 464 HG SER 64 HG SER 64 -2.075 -8.006 9.778 465 H ALA 65 H ALA 65 -2.996 -10.320 7.462 466 HA ALA 65 HA ALA 65 -5.645 -9.660 6.371 467 HB1 ALA 65 1HB ALA 65 -5.958 -11.833 5.924 468 HB2 ALA 65 2HB ALA 65 -4.209 -11.962 6.108 469 HB3 ALA 65 3HB ALA 65 -5.269 -12.350 7.463 470 HA PRO 66 HA PRO 66 -7.164 -8.879 10.435 471 HB2 PRO 66 1HB PRO 66 -9.813 -9.213 9.945 472 HB3 PRO 66 2HB PRO 66 -8.907 -7.794 9.405 473 HG2 PRO 66 1HG PRO 66 -9.691 -10.239 7.866 474 HG3 PRO 66 2HG PRO 66 -9.747 -8.538 7.368 475 HD2 PRO 66 1HD PRO 66 -7.761 -10.214 6.607 476 HD3 PRO 66 2HD PRO 66 -7.497 -8.478 6.872 477 H GLU 67 H GLU 67 -8.749 -11.617 8.776 478 HA GLU 67 HA GLU 67 -9.323 -12.964 11.238 479 HB2 GLU 67 1HB GLU 67 -9.401 -14.038 8.413 480 HB3 GLU 67 2HB GLU 67 -10.143 -14.777 9.825 481 HG2 GLU 67 1HG GLU 67 -10.881 -12.030 8.869 482 HG3 GLU 67 2HG GLU 67 -11.667 -13.491 8.273 483 H GLU 68 H GLU 68 -7.170 -13.736 8.499 484 HA GLU 68 HA GLU 68 -5.874 -15.867 9.867 485 HB2 GLU 68 1HB GLU 68 -6.017 -15.625 7.376 486 HB3 GLU 68 2HB GLU 68 -4.853 -14.312 7.487 487 HG2 GLU 68 1HG GLU 68 -3.977 -16.616 6.867 488 HG3 GLU 68 2HG GLU 68 -3.125 -15.733 8.134 489 H GLN 69 H GLN 69 -4.236 -15.830 11.264 490 HA GLN 69 HA GLN 69 -3.337 -13.622 12.589 491 HB2 GLN 69 1HB GLN 69 -2.147 -16.323 12.122 492 HB3 GLN 69 2HB GLN 69 -1.178 -15.099 12.931 493 HG2 GLN 69 1HG GLN 69 -2.590 -15.003 14.763 494 HG3 GLN 69 2HG GLN 69 -3.943 -15.708 13.881 495 HE21 GLN 69 1HE2 GLN 69 -3.739 -16.878 16.103 496 HE22 GLN 69 2HE2 GLN 69 -2.881 -18.376 16.051 497 H PHE 70 H PHE 70 -1.069 -12.730 12.643 498 HA PHE 70 HA PHE 70 -0.470 -11.154 10.558 499 HB2 PHE 70 1HB PHE 70 1.536 -12.531 12.355 500 HB3 PHE 70 2HB PHE 70 1.905 -11.152 11.326 501 HD1 PHE 70 1HD PHE 70 0.902 -8.951 11.799 502 HD2 PHE 70 2HD PHE 70 0.392 -12.267 14.418 503 HE1 PHE 70 1HE PHE 70 0.189 -7.423 13.590 504 HE2 PHE 70 2HE PHE 70 -0.322 -10.744 16.213 505 HZ PHE 70 HZ PHE 70 -0.426 -8.318 15.800 506 H THR 71 H THR 71 1.002 -11.178 8.791 507 HA THR 71 HA THR 71 1.786 -13.842 7.831 508 HB THR 71 HB THR 71 -0.326 -13.226 6.711 509 HG1 THR 71 1HG THR 71 1.964 -13.136 5.011 510 HG21 THR 71 1HG2 THR 71 1.149 -10.713 6.269 511 HG22 THR 71 2HG2 THR 71 -0.585 -11.002 6.405 512 HG23 THR 71 3HG2 THR 71 0.243 -11.314 4.881 513 H ARG 72 H ARG 72 3.577 -13.887 6.432 514 HA ARG 72 HA ARG 72 5.292 -11.528 6.664 515 HB2 ARG 72 1HB ARG 72 5.862 -14.419 6.023 516 HB3 ARG 72 2HB ARG 72 7.075 -13.156 5.861 517 HG2 ARG 72 1HG ARG 72 7.503 -14.045 7.954 518 HG3 ARG 72 2HG ARG 72 6.533 -12.616 8.317 519 HD2 ARG 72 1HD ARG 72 4.523 -14.083 8.400 520 HD3 ARG 72 2HD ARG 72 5.586 -15.476 8.205 521 HE ARG 72 HE ARG 72 6.429 -13.890 10.390 522 HH11 ARG 72 1HH1 ARG 72 3.951 -16.141 9.432 523 HH12 ARG 72 2HH1 ARG 72 3.659 -16.706 11.044 524 HH21 ARG 72 1HH2 ARG 72 6.053 -14.626 12.516 525 HH22 ARG 72 2HH2 ARG 72 4.855 -15.843 12.797 526 H VAL 73 H VAL 73 4.442 -10.234 5.022 527 HA VAL 73 HA VAL 73 4.620 -11.296 2.286 528 HB VAL 73 HB VAL 73 3.237 -8.804 3.290 529 HG11 VAL 73 1HG1 VAL 73 4.230 -8.949 0.869 530 HG12 VAL 73 2HG1 VAL 73 2.813 -9.960 0.575 531 HG13 VAL 73 3HG1 VAL 73 2.613 -8.300 1.138 532 HG21 VAL 73 1HG2 VAL 73 1.581 -10.185 3.839 533 HG22 VAL 73 2HG2 VAL 73 1.393 -10.540 2.122 534 HG23 VAL 73 3HG2 VAL 73 2.416 -11.566 3.128 535 H GLY 74 H GLY 74 6.289 -10.728 1.060 536 HA2 GLY 74 1HA GLY 74 8.137 -8.698 1.986 537 HA3 GLY 74 2HA GLY 74 8.357 -9.760 0.604 538 H VAL 75 H VAL 75 6.504 -6.940 1.705 539 HA VAL 75 HA VAL 75 5.835 -6.154 -0.982 540 HB VAL 75 HB VAL 75 5.533 -4.681 1.638 541 HG11 VAL 75 1HG1 VAL 75 4.202 -3.991 -0.968 542 HG12 VAL 75 2HG1 VAL 75 4.254 -3.044 0.520 543 HG13 VAL 75 3HG1 VAL 75 5.715 -3.248 -0.448 544 HG21 VAL 75 1HG2 VAL 75 4.162 -6.876 0.726 545 HG22 VAL 75 2HG2 VAL 75 3.566 -5.713 1.910 546 HG23 VAL 75 3HG2 VAL 75 3.139 -5.536 0.208 547 H GLN 76 H GLN 76 6.683 -4.477 -2.173 548 HA GLN 76 HA GLN 76 8.828 -2.855 -1.096 549 HB2 GLN 76 1HB GLN 76 10.072 -4.814 -1.775 550 HB3 GLN 76 2HB GLN 76 9.291 -4.812 -3.351 551 HG2 GLN 76 1HG GLN 76 10.569 -3.105 -4.143 552 HG3 GLN 76 2HG GLN 76 10.795 -2.387 -2.549 553 HE21 GLN 76 1HE2 GLN 76 12.868 -2.724 -4.365 554 HE22 GLN 76 2HE2 GLN 76 13.982 -3.883 -3.732 555 H VAL 77 H VAL 77 8.932 -0.898 -2.053 556 HA VAL 77 HA VAL 77 7.139 -0.443 -4.339 557 HB VAL 77 HB VAL 77 7.140 1.921 -3.681 558 HG11 VAL 77 1HG1 VAL 77 6.051 -0.258 -2.168 559 HG12 VAL 77 2HG1 VAL 77 6.370 1.114 -1.105 560 HG13 VAL 77 3HG1 VAL 77 5.343 1.316 -2.524 561 HG21 VAL 77 1HG2 VAL 77 9.280 2.215 -2.710 562 HG22 VAL 77 2HG2 VAL 77 8.111 2.487 -1.418 563 HG23 VAL 77 3HG2 VAL 77 8.986 0.958 -1.508 564 H LEU 78 H LEU 78 8.001 -0.045 -6.261 565 HA LEU 78 HA LEU 78 10.809 0.830 -6.388 566 HB2 LEU 78 1HB LEU 78 9.879 -1.412 -7.425 567 HB3 LEU 78 2HB LEU 78 9.404 -0.337 -8.739 568 HG LEU 78 HG LEU 78 11.830 0.386 -8.844 569 HD11 LEU 78 1HD1 LEU 78 13.005 -1.964 -7.858 570 HD12 LEU 78 2HD1 LEU 78 11.956 -1.359 -6.577 571 HD13 LEU 78 3HD1 LEU 78 13.207 -0.318 -7.257 572 HD21 LEU 78 1HD2 LEU 78 12.242 -1.179 -10.442 573 HD22 LEU 78 2HD2 LEU 78 10.521 -1.483 -10.201 574 HD23 LEU 78 3HD2 LEU 78 11.718 -2.521 -9.424 575 H ASP 79 H ASP 79 11.413 2.427 -7.888 576 HA ASP 79 HA ASP 79 9.348 4.392 -8.383 577 HB2 ASP 79 1HB ASP 79 11.377 5.307 -7.577 578 HB3 ASP 79 2HB ASP 79 12.342 4.382 -8.724 579 H ARG 80 H ARG 80 8.100 4.151 -10.117 580 HA ARG 80 HA ARG 80 9.182 2.938 -12.540 581 HB2 ARG 80 1HB ARG 80 6.411 3.582 -11.576 582 HB3 ARG 80 2HB ARG 80 6.710 3.235 -13.274 583 HG2 ARG 80 1HG ARG 80 7.560 1.366 -11.086 584 HG3 ARG 80 2HG ARG 80 5.955 1.305 -11.816 585 HD2 ARG 80 1HD ARG 80 7.027 1.034 -14.034 586 HD3 ARG 80 2HD ARG 80 8.597 0.976 -13.232 587 HE ARG 80 HE ARG 80 7.064 -0.968 -12.025 588 HH11 ARG 80 1HH1 ARG 80 8.189 -0.267 -15.244 589 HH12 ARG 80 2HH1 ARG 80 8.243 -1.930 -15.728 590 HH21 ARG 80 1HH2 ARG 80 7.131 -3.160 -12.650 591 HH22 ARG 80 2HH2 ARG 80 7.641 -3.575 -14.252 592 H LYS 81 H LYS 81 7.166 5.787 -11.789 593 HA LYS 81 HA LYS 81 8.290 7.113 -14.158 594 HB2 LYS 81 1HB LYS 81 5.838 7.842 -12.545 595 HB3 LYS 81 2HB LYS 81 6.366 8.617 -14.033 596 HG2 LYS 81 1HG LYS 81 5.819 5.685 -14.016 597 HG3 LYS 81 2HG LYS 81 4.476 6.830 -14.079 598 HD2 LYS 81 1HD LYS 81 5.261 7.772 -16.112 599 HD3 LYS 81 2HD LYS 81 6.810 6.936 -15.980 600 HE2 LYS 81 1HE LYS 81 5.763 5.571 -17.481 601 HE3 LYS 81 2HE LYS 81 5.255 4.801 -15.979 602 HZ1 LYS 81 1HZ LYS 81 3.295 5.004 -17.151 603 HZ2 LYS 81 2HZ LYS 81 3.695 6.515 -17.797 604 HZ3 LYS 81 3HZ LYS 81 3.252 6.382 -16.170 605 H ASP 82 H ASP 82 8.016 9.703 -13.693 606 HA ASP 82 HA ASP 82 10.170 10.334 -11.988 607 HB2 ASP 82 1HB ASP 82 8.059 12.140 -13.188 608 HB3 ASP 82 2HB ASP 82 9.548 12.695 -12.428 609 H GLY 83 H GLY 83 6.669 10.879 -11.632 610 HA2 GLY 83 1HA GLY 83 7.142 11.252 -8.738 611 HA3 GLY 83 2HA GLY 83 5.906 12.129 -9.627 612 H SER 84 H SER 84 6.820 8.690 -9.594 613 HA SER 84 HA SER 84 4.306 7.987 -8.326 614 HB2 SER 84 1HB SER 84 4.908 6.696 -10.976 615 HB3 SER 84 2HB SER 84 3.386 6.737 -10.086 616 HG SER 84 HG SER 84 3.616 9.146 -10.481 617 H PHE 85 H PHE 85 4.151 5.489 -8.203 618 HA PHE 85 HA PHE 85 6.720 4.145 -8.163 619 HB2 PHE 85 1HB PHE 85 5.207 4.875 -5.673 620 HB3 PHE 85 2HB PHE 85 6.215 3.432 -5.716 621 HD1 PHE 85 2HD PHE 85 6.186 7.087 -5.781 622 HD2 PHE 85 1HD PHE 85 8.617 3.594 -5.830 623 HE1 PHE 85 2HE PHE 85 8.164 8.461 -5.281 624 HE2 PHE 85 1HE PHE 85 10.600 4.962 -5.329 625 HZ PHE 85 HZ PHE 85 10.375 7.400 -5.055 626 H ILE 86 H ILE 86 6.493 1.832 -7.555 627 HA ILE 86 HA ILE 86 3.784 0.821 -8.127 628 HB ILE 86 HB ILE 86 5.240 0.553 -10.097 629 HG12 ILE 86 1HG1 ILE 86 4.929 -2.214 -9.021 630 HG13 ILE 86 2HG1 ILE 86 3.490 -1.209 -9.159 631 HG21 ILE 86 1HG2 ILE 86 7.218 -0.713 -10.088 632 HG22 ILE 86 2HG2 ILE 86 7.339 0.333 -8.674 633 HG23 ILE 86 3HG2 ILE 86 6.894 -1.363 -8.481 634 HD11 ILE 86 1HD1 ILE 86 5.285 -1.410 -11.511 635 HD12 ILE 86 2HD1 ILE 86 4.265 -2.791 -11.108 636 HD13 ILE 86 3HD1 ILE 86 3.534 -1.220 -11.432 637 H VAL 87 H VAL 87 3.021 -0.667 -6.757 638 HA VAL 87 HA VAL 87 4.852 -1.700 -4.702 639 HB VAL 87 HB VAL 87 1.840 -1.466 -4.667 640 HG11 VAL 87 1HG1 VAL 87 3.355 -3.305 -3.305 641 HG12 VAL 87 2HG1 VAL 87 3.201 -1.987 -2.142 642 HG13 VAL 87 3HG1 VAL 87 1.757 -2.733 -2.827 643 HG21 VAL 87 1HG2 VAL 87 2.945 -0.025 -2.561 644 HG22 VAL 87 2HG2 VAL 87 3.979 0.340 -3.942 645 HG23 VAL 87 3HG2 VAL 87 2.243 0.633 -4.039 646 H ARG 88 H ARG 88 5.427 -3.762 -4.783 647 HA ARG 88 HA ARG 88 3.565 -5.733 -5.895 648 HB2 ARG 88 1HB ARG 88 6.432 -5.325 -6.738 649 HB3 ARG 88 2HB ARG 88 5.570 -6.833 -7.014 650 HG2 ARG 88 1HG ARG 88 4.047 -5.814 -8.490 651 HG3 ARG 88 2HG ARG 88 4.536 -4.192 -7.995 652 HD2 ARG 88 1HD ARG 88 5.557 -4.534 -10.084 653 HD3 ARG 88 2HD ARG 88 6.838 -4.778 -8.898 654 HE ARG 88 HE ARG 88 7.000 -6.951 -9.585 655 HH11 ARG 88 1HH1 ARG 88 3.959 -5.649 -10.669 656 HH12 ARG 88 2HH1 ARG 88 3.555 -7.038 -11.622 657 HH21 ARG 88 1HH2 ARG 88 6.479 -8.786 -10.835 658 HH22 ARG 88 2HH2 ARG 88 4.989 -8.822 -11.715 659 H TYR 89 H TYR 89 3.674 -7.756 -4.974 660 HA TYR 89 HA TYR 89 5.724 -8.220 -2.930 661 HB2 TYR 89 1HB TYR 89 4.178 -8.755 -1.237 662 HB3 TYR 89 2HB TYR 89 3.548 -7.276 -1.954 663 HD1 TYR 89 2HD TYR 89 3.043 -10.888 -1.578 664 HD2 TYR 89 1HD TYR 89 1.490 -7.288 -3.229 665 HE1 TYR 89 2HE TYR 89 0.891 -12.008 -1.981 666 HE2 TYR 89 1HE TYR 89 -0.666 -8.397 -3.636 667 HH TYR 89 HH TYR 89 -1.134 -11.506 -3.793 668 H ARG 90 H ARG 90 5.833 -10.488 -2.233 669 HA ARG 90 HA ARG 90 5.119 -12.283 -4.450 670 HB2 ARG 90 1HB ARG 90 7.551 -11.972 -3.856 671 HB3 ARG 90 2HB ARG 90 7.204 -12.749 -2.317 672 HG2 ARG 90 1HG ARG 90 6.842 -14.815 -3.290 673 HG3 ARG 90 2HG ARG 90 6.513 -14.120 -4.879 674 HD2 ARG 90 1HD ARG 90 8.732 -13.876 -5.383 675 HD3 ARG 90 2HD ARG 90 9.208 -13.711 -3.693 676 HE ARG 90 HE ARG 90 9.238 -16.082 -5.196 677 HH11 ARG 90 1HH1 ARG 90 8.306 -14.913 -2.052 678 HH12 ARG 90 2HH1 ARG 90 8.566 -16.434 -1.265 679 HH21 ARG 90 1HH2 ARG 90 9.584 -18.090 -4.171 680 HH22 ARG 90 2HH2 ARG 90 9.294 -18.241 -2.471 681 H MET 91 H MET 91 4.185 -14.291 -4.048 682 HA MET 91 HA MET 91 3.693 -15.355 -1.489 683 HB2 MET 91 1HB MET 91 2.202 -13.379 -1.328 684 HB3 MET 91 2HB MET 91 1.320 -13.955 -2.735 685 HG2 MET 91 1HG MET 91 -0.020 -14.746 -1.081 686 HG3 MET 91 2HG MET 91 1.061 -16.124 -1.277 687 HE1 MET 91 1HE MET 91 -0.908 -15.190 0.852 688 HE2 MET 91 2HE MET 91 -0.171 -15.451 2.432 689 HE3 MET 91 3HE MET 91 -0.344 -13.813 1.799 690 H TYR 92 H TYR 92 2.980 -17.429 -1.636 691 HA TYR 92 HA TYR 92 1.978 -18.334 -4.252 692 HB2 TYR 92 1HB TYR 92 4.255 -19.378 -2.628 693 HB3 TYR 92 2HB TYR 92 3.283 -20.528 -3.539 694 HD1 TYR 92 1HD TYR 92 5.189 -17.351 -3.957 695 HD2 TYR 92 2HD TYR 92 3.765 -20.922 -5.779 696 HE1 TYR 92 1HE TYR 92 6.475 -16.821 -5.985 697 HE2 TYR 92 2HE TYR 92 5.048 -20.403 -7.813 698 HH TYR 92 HH TYR 92 7.484 -18.491 -8.013 699 H ALA 93 H ALA 93 0.020 -17.842 -2.722 700 HA ALA 93 HA ALA 93 -0.968 -20.422 -1.863 701 HB1 ALA 93 1HB ALA 93 -1.164 -18.208 0.146 702 HB2 ALA 93 2HB ALA 93 -1.385 -19.944 0.374 703 HB3 ALA 93 3HB ALA 93 0.231 -19.287 0.115 704 H SER 94 H SER 94 -3.302 -19.968 -0.829 705 HA SER 94 HA SER 94 -4.645 -18.132 -2.701 706 HB2 SER 94 1HB SER 94 -6.583 -19.613 -2.598 707 HB3 SER 94 2HB SER 94 -5.151 -20.531 -3.066 708 HG SER 94 HG SER 94 -5.023 -21.347 -0.992 709 H TYR 95 H TYR 95 -4.487 -16.355 -1.274 710 HA TYR 95 HA TYR 95 -5.488 -16.456 1.394 711 HB2 TYR 95 1HB TYR 95 -5.429 -13.897 1.121 712 HB3 TYR 95 2HB TYR 95 -3.903 -14.767 1.014 713 HD1 TYR 95 1HD TYR 95 -6.473 -12.960 -0.902 714 HD2 TYR 95 2HD TYR 95 -2.662 -14.847 -1.041 715 HE1 TYR 95 1HE TYR 95 -6.055 -11.941 -3.101 716 HE2 TYR 95 2HE TYR 95 -2.233 -13.832 -3.240 717 HH TYR 95 HH TYR 95 -4.384 -11.442 -4.612 718 H LYS 96 H LYS 96 -7.447 -15.855 2.209 719 HA LYS 96 HA LYS 96 -9.668 -15.863 0.355 720 HB2 LYS 96 1HB LYS 96 -9.440 -16.988 2.741 721 HB3 LYS 96 2HB LYS 96 -10.031 -15.425 3.287 722 HG2 LYS 96 1HG LYS 96 -12.094 -15.715 2.335 723 HG3 LYS 96 2HG LYS 96 -11.491 -16.830 1.106 724 HD2 LYS 96 1HD LYS 96 -12.768 -18.135 2.612 725 HD3 LYS 96 2HD LYS 96 -11.077 -18.472 2.986 726 HE2 LYS 96 1HE LYS 96 -11.146 -17.017 4.889 727 HE3 LYS 96 2HE LYS 96 -12.759 -16.450 4.458 728 HZ1 LYS 96 1HZ LYS 96 -12.149 -19.274 5.129 729 HZ2 LYS 96 2HZ LYS 96 -13.674 -18.563 4.958 730 HZ3 LYS 96 3HZ LYS 96 -12.687 -18.143 6.266 731 H ASN 97 H ASN 97 -8.266 -13.644 2.738 732 HA ASN 97 HA ASN 97 -9.297 -11.383 1.262 733 HB2 ASN 97 1HB ASN 97 -10.032 -11.541 4.177 734 HB3 ASN 97 2HB ASN 97 -10.654 -10.446 2.945 735 HD21 ASN 97 1HD2 ASN 97 -12.058 -11.314 1.325 736 HD22 ASN 97 2HD2 ASN 97 -13.024 -12.704 1.672 737 H LEU 98 H LEU 98 -7.811 -9.830 1.266 738 HA LEU 98 HA LEU 98 -5.824 -9.809 3.442 739 HB2 LEU 98 1HB LEU 98 -5.507 -9.072 0.538 740 HB3 LEU 98 2HB LEU 98 -4.278 -8.799 1.772 741 HG LEU 98 HG LEU 98 -5.331 -11.509 0.967 742 HD11 LEU 98 1HD1 LEU 98 -3.115 -9.832 -0.061 743 HD12 LEU 98 2HD1 LEU 98 -4.127 -11.011 -0.894 744 HD13 LEU 98 3HD1 LEU 98 -2.809 -11.557 0.143 745 HD21 LEU 98 1HD2 LEU 98 -4.179 -12.348 2.672 746 HD22 LEU 98 2HD2 LEU 98 -4.000 -10.699 3.272 747 HD23 LEU 98 3HD2 LEU 98 -2.747 -11.407 2.251 748 H LYS 99 H LYS 99 -4.940 -7.735 4.032 749 HA LYS 99 HA LYS 99 -6.806 -5.515 3.503 750 HB2 LYS 99 1HB LYS 99 -6.773 -6.463 5.855 751 HB3 LYS 99 2HB LYS 99 -5.128 -5.856 5.989 752 HG2 LYS 99 1HG LYS 99 -6.039 -3.576 5.448 753 HG3 LYS 99 2HG LYS 99 -7.654 -4.268 5.624 754 HD2 LYS 99 1HD LYS 99 -5.614 -4.591 7.794 755 HD3 LYS 99 2HD LYS 99 -6.548 -3.099 7.657 756 HE2 LYS 99 1HE LYS 99 -8.606 -4.282 7.918 757 HE3 LYS 99 2HE LYS 99 -7.791 -5.840 7.792 758 HZ1 LYS 99 1HZ LYS 99 -8.248 -5.426 10.072 759 HZ2 LYS 99 2HZ LYS 99 -7.572 -3.878 10.006 760 HZ3 LYS 99 3HZ LYS 99 -6.580 -5.240 9.861 761 H VAL 100 H VAL 100 -5.968 -3.467 3.145 762 HA VAL 100 HA VAL 100 -3.054 -3.353 2.704 763 HB VAL 100 HB VAL 100 -5.183 -1.878 1.147 764 HG11 VAL 100 1HG1 VAL 100 -2.970 -1.688 -0.352 765 HG12 VAL 100 2HG1 VAL 100 -3.423 -0.484 0.856 766 HG13 VAL 100 3HG1 VAL 100 -2.233 -1.726 1.250 767 HG21 VAL 100 1HG2 VAL 100 -4.695 -4.498 0.896 768 HG22 VAL 100 2HG2 VAL 100 -5.112 -3.465 -0.471 769 HG23 VAL 100 3HG2 VAL 100 -3.425 -3.869 -0.154 770 H GLU 101 H GLU 101 -1.947 -1.599 3.444 771 HA GLU 101 HA GLU 101 -3.443 0.643 4.580 772 HB2 GLU 101 1HB GLU 101 -1.756 -1.288 6.092 773 HB3 GLU 101 2HB GLU 101 -1.644 0.409 6.535 774 HG2 GLU 101 1HG GLU 101 -4.151 0.400 6.753 775 HG3 GLU 101 2HG GLU 101 -4.074 -1.353 6.590 776 H ILE 102 H ILE 102 -2.636 2.379 3.620 777 HA ILE 102 HA ILE 102 0.251 2.463 3.043 778 HB ILE 102 HB ILE 102 -1.838 4.190 1.731 779 HG12 ILE 102 1HG1 ILE 102 -1.246 2.456 -0.217 780 HG13 ILE 102 2HG1 ILE 102 -1.019 1.385 1.161 781 HG21 ILE 102 1HG2 ILE 102 0.523 4.928 1.661 782 HG22 ILE 102 2HG2 ILE 102 0.939 3.418 0.851 783 HG23 ILE 102 3HG2 ILE 102 -0.139 4.572 0.065 784 HD11 ILE 102 1HD1 ILE 102 -3.261 1.614 1.832 785 HD12 ILE 102 2HD1 ILE 102 -3.521 2.990 0.760 786 HD13 ILE 102 3HD1 ILE 102 -3.297 1.377 0.085 787 H LYS 103 H LYS 103 1.418 3.787 4.252 788 HA LYS 103 HA LYS 103 0.175 6.244 5.283 789 HB2 LYS 103 1HB LYS 103 1.719 4.163 6.803 790 HB3 LYS 103 2HB LYS 103 1.703 5.836 7.344 791 HG2 LYS 103 1HG LYS 103 -0.563 5.791 7.834 792 HG3 LYS 103 2HG LYS 103 -0.858 4.390 6.803 793 HD2 LYS 103 1HD LYS 103 0.939 4.150 9.183 794 HD3 LYS 103 2HD LYS 103 -0.813 4.102 9.390 795 HE2 LYS 103 1HE LYS 103 -0.267 1.863 9.145 796 HE3 LYS 103 2HE LYS 103 -0.745 2.325 7.512 797 HZ1 LYS 103 1HZ LYS 103 1.418 0.995 7.868 798 HZ2 LYS 103 2HZ LYS 103 2.082 2.484 8.317 799 HZ3 LYS 103 3HZ LYS 103 1.421 2.285 6.773 800 H PHE 104 H PHE 104 1.749 7.908 5.901 801 HA PHE 104 HA PHE 104 4.352 7.624 4.572 802 HB2 PHE 104 1HB PHE 104 3.344 8.861 2.913 803 HB3 PHE 104 2HB PHE 104 2.223 9.639 4.026 804 HD1 PHE 104 1HD PHE 104 5.946 9.448 3.831 805 HD2 PHE 104 2HD PHE 104 2.480 11.914 3.979 806 HE1 PHE 104 1HE PHE 104 7.376 11.450 3.863 807 HE2 PHE 104 2HE PHE 104 3.904 13.920 4.010 808 HZ PHE 104 HZ PHE 104 6.355 13.690 3.951 809 H GLN 105 H GLN 105 5.592 7.611 6.375 810 HA GLN 105 HA GLN 105 6.708 8.388 8.198 811 HB2 GLN 105 1HB GLN 105 5.765 10.871 6.862 812 HB3 GLN 105 2HB GLN 105 6.369 11.020 8.507 813 HG2 GLN 105 1HG GLN 105 8.408 9.705 7.637 814 HG3 GLN 105 2HG GLN 105 7.818 10.160 6.040 815 HE21 GLN 105 1HE2 GLN 105 8.848 11.845 5.271 816 HE22 GLN 105 2HE2 GLN 105 9.393 13.213 6.174 817 H GLY 106 H GLY 106 3.988 7.420 8.477 818 HA2 GLY 106 1HA GLY 106 2.766 7.053 10.446 819 HA3 GLY 106 2HA GLY 106 3.470 8.512 11.128 820 H GLN 107 H GLN 107 1.983 8.437 7.964 821 HA GLN 107 HA GLN 107 -0.481 9.606 8.988 822 HB2 GLN 107 1HB GLN 107 1.385 11.038 7.094 823 HB3 GLN 107 2HB GLN 107 -0.290 11.507 7.356 824 HG2 GLN 107 1HG GLN 107 0.115 12.182 9.549 825 HG3 GLN 107 2HG GLN 107 1.637 11.296 9.637 826 HE21 GLN 107 1HE2 GLN 107 3.460 12.129 8.546 827 HE22 GLN 107 2HE2 GLN 107 3.569 13.805 8.143 828 H HIS 108 H HIS 108 -1.943 8.299 8.103 829 HA HIS 108 HA HIS 108 -1.677 6.706 5.870 830 HB2 HIS 108 1HB HIS 108 -4.131 7.926 7.129 831 HB3 HIS 108 2HB HIS 108 -4.227 6.787 5.789 832 HD1 HIS 108 1HD HIS 108 -4.923 4.612 6.724 833 HD2 HIS 108 2HD HIS 108 -2.153 6.521 9.162 834 HE1 HIS 108 1HE HIS 108 -4.459 3.004 8.602 835 HE2 HIS 108 2HE HIS 108 -2.845 4.215 10.109 836 H VAL 109 H VAL 109 -2.374 6.858 3.712 837 HA VAL 109 HA VAL 109 -2.496 9.620 2.700 838 HB VAL 109 HB VAL 109 -1.590 7.093 1.316 839 HG11 VAL 109 1HG1 VAL 109 -1.748 8.102 -0.665 840 HG12 VAL 109 2HG1 VAL 109 -2.762 9.304 0.135 841 HG13 VAL 109 3HG1 VAL 109 -1.031 9.590 -0.048 842 HG21 VAL 109 1HG2 VAL 109 0.526 7.682 1.777 843 HG22 VAL 109 2HG2 VAL 109 0.213 9.395 1.501 844 HG23 VAL 109 3HG2 VAL 109 -0.194 8.664 3.053 845 H ALA 110 H ALA 110 -3.873 6.381 2.289 846 HA ALA 110 HA ALA 110 -6.076 7.547 0.734 847 HB1 ALA 110 1HB ALA 110 -6.084 4.651 0.960 848 HB2 ALA 110 2HB ALA 110 -6.114 5.675 -0.476 849 HB3 ALA 110 3HB ALA 110 -4.576 5.274 0.289 850 H LYS 111 H LYS 111 -8.112 5.876 1.128 851 HA LYS 111 HA LYS 111 -9.079 6.619 3.702 852 HB2 LYS 111 1HB LYS 111 -10.172 4.982 1.434 853 HB3 LYS 111 2HB LYS 111 -11.012 5.035 2.978 854 HG2 LYS 111 1HG LYS 111 -10.247 7.574 1.604 855 HG3 LYS 111 2HG LYS 111 -11.681 6.679 1.096 856 HD2 LYS 111 1HD LYS 111 -12.200 6.686 3.673 857 HD3 LYS 111 2HD LYS 111 -11.124 8.085 3.667 858 HE2 LYS 111 1HE LYS 111 -12.611 8.861 1.669 859 HE3 LYS 111 2HE LYS 111 -13.777 7.720 2.338 860 HZ1 LYS 111 1HZ LYS 111 -12.571 9.526 4.255 861 HZ2 LYS 111 2HZ LYS 111 -14.181 9.033 4.095 862 HZ3 LYS 111 3HZ LYS 111 -13.571 10.265 3.109 863 H SER 112 H SER 112 -6.927 4.318 2.941 864 HA SER 112 HA SER 112 -7.565 1.899 3.906 865 HB2 SER 112 1HB SER 112 -5.334 1.956 3.413 866 HB3 SER 112 2HB SER 112 -5.110 3.555 4.122 867 HG SER 112 HG SER 112 -4.845 2.675 6.076 868 HA PRO 113 HA PRO 113 -6.506 0.308 5.324 869 HB2 PRO 113 1HB PRO 113 -8.031 -1.545 6.594 870 HB3 PRO 113 2HB PRO 113 -6.569 -0.853 7.307 871 HG2 PRO 113 1HG PRO 113 -9.435 -0.134 7.788 872 HG3 PRO 113 2HG PRO 113 -8.117 -0.321 8.959 873 HD2 PRO 113 1HD PRO 113 -8.952 2.100 8.081 874 HD3 PRO 113 2HD PRO 113 -7.264 1.776 8.525 875 H TYR 114 H TYR 114 -7.317 -1.126 3.753 876 HA TYR 114 HA TYR 114 -10.022 -0.457 2.806 877 HB2 TYR 114 1HB TYR 114 -7.477 -1.143 1.390 878 HB3 TYR 114 2HB TYR 114 -9.014 -1.517 0.617 879 HD1 TYR 114 1HD TYR 114 -10.750 0.631 0.993 880 HD2 TYR 114 2HD TYR 114 -6.517 0.784 0.586 881 HE1 TYR 114 1HE TYR 114 -10.917 2.951 0.192 882 HE2 TYR 114 2HE TYR 114 -6.672 3.105 -0.215 883 HH TYR 114 HH TYR 114 -9.161 4.467 -1.431 884 H ILE 115 H ILE 115 -11.428 -1.959 3.441 885 HA ILE 115 HA ILE 115 -10.606 -4.747 3.659 886 HB ILE 115 HB ILE 115 -13.301 -3.544 4.293 887 HG12 ILE 115 1HG1 ILE 115 -11.500 -2.505 5.632 888 HG13 ILE 115 2HG1 ILE 115 -12.580 -3.482 6.621 889 HG21 ILE 115 1HG2 ILE 115 -12.160 -6.235 4.417 890 HG22 ILE 115 2HG2 ILE 115 -12.957 -5.718 5.903 891 HG23 ILE 115 3HG2 ILE 115 -13.845 -5.716 4.379 892 HD11 ILE 115 1HD1 ILE 115 -10.418 -5.105 5.715 893 HD12 ILE 115 2HD1 ILE 115 -9.783 -3.628 6.439 894 HD13 ILE 115 3HD1 ILE 115 -10.871 -4.665 7.361 895 H LEU 116 H LEU 116 -10.958 -6.193 2.115 896 HA LEU 116 HA LEU 116 -13.155 -5.747 0.216 897 HB2 LEU 116 1HB LEU 116 -10.412 -6.736 -0.542 898 HB3 LEU 116 2HB LEU 116 -11.771 -6.454 -1.629 899 HG LEU 116 HG LEU 116 -11.536 -3.987 -0.695 900 HD11 LEU 116 1HD1 LEU 116 -9.678 -4.766 0.848 901 HD12 LEU 116 2HD1 LEU 116 -9.347 -3.341 -0.136 902 HD13 LEU 116 3HD1 LEU 116 -8.678 -4.906 -0.598 903 HD21 LEU 116 1HD2 LEU 116 -10.759 -5.374 -3.016 904 HD22 LEU 116 2HD2 LEU 116 -9.428 -4.291 -2.607 905 HD23 LEU 116 3HD2 LEU 116 -11.055 -3.645 -2.834 906 H LYS 117 H LYS 117 -14.492 -7.315 0.969 907 HA LYS 117 HA LYS 117 -13.460 -10.073 0.880 908 HB2 LYS 117 1HB LYS 117 -15.001 -10.659 2.696 909 HB3 LYS 117 2HB LYS 117 -13.859 -9.421 3.203 910 HG2 LYS 117 1HG LYS 117 -16.534 -8.609 2.166 911 HG3 LYS 117 2HG LYS 117 -16.383 -9.223 3.814 912 HD2 LYS 117 1HD LYS 117 -15.073 -7.446 4.497 913 HD3 LYS 117 2HD LYS 117 -14.527 -7.086 2.857 914 HE2 LYS 117 1HE LYS 117 -16.006 -5.348 3.368 915 HE3 LYS 117 2HE LYS 117 -16.960 -6.456 2.383 916 HZ1 LYS 117 1HZ LYS 117 -18.146 -7.192 4.215 917 HZ2 LYS 117 2HZ LYS 117 -17.989 -5.536 4.519 918 HZ3 LYS 117 3HZ LYS 117 -16.996 -6.642 5.327 919 H GLY 118 H GLY 118 -15.313 -11.694 0.656 920 HA2 GLY 118 1HA GLY 118 -16.973 -10.789 -1.571 921 HA3 GLY 118 2HA GLY 118 -16.682 -12.457 -1.101 922 H SER 119 H SER 119 -19.208 -11.751 -1.721 923 HA SER 119 HA SER 119 -20.652 -11.026 0.684 924 HB2 SER 119 1HB SER 119 -21.242 -10.457 -1.814 925 HB3 SER 119 2HB SER 119 -21.999 -12.050 -1.789 926 HG SER 119 HG SER 119 -23.019 -9.807 -0.917 927 H GLY 120 H GLY 120 -22.411 -12.375 1.520 928 HA2 GLY 120 1HA GLY 120 -23.018 -14.962 1.003 929 HA3 GLY 120 2HA GLY 120 -21.499 -15.093 1.877 930 HA PRO 121 HA PRO 121 -25.354 -14.312 4.668 931 HB2 PRO 121 1HB PRO 121 -26.265 -16.840 5.059 932 HB3 PRO 121 2HB PRO 121 -26.879 -15.784 3.781 933 HG2 PRO 121 1HG PRO 121 -24.854 -17.983 3.612 934 HG3 PRO 121 2HG PRO 121 -26.188 -17.604 2.508 935 HD2 PRO 121 1HD PRO 121 -23.626 -16.894 1.995 936 HD3 PRO 121 2HD PRO 121 -25.012 -15.920 1.463 937 H SER 122 H SER 122 -23.177 -17.120 4.617 938 HA SER 122 HA SER 122 -22.044 -18.196 6.290 939 HB2 SER 122 1HB SER 122 -21.633 -15.293 7.035 940 HB3 SER 122 2HB SER 122 -20.725 -16.628 7.746 941 HG SER 122 HG SER 122 -20.191 -15.353 5.518 942 H SER 123 H SER 123 -24.821 -18.046 6.787 943 HA SER 123 HA SER 123 -25.075 -17.426 9.628 944 HB2 SER 123 1HB SER 123 -26.824 -16.840 7.806 945 HB3 SER 123 2HB SER 123 -27.275 -18.542 7.904 946 HG SER 123 HG SER 123 -27.293 -16.642 10.011 947 H GLY 124 H GLY 124 -25.689 -18.945 11.188 948 HA2 GLY 124 1HA GLY 124 -26.485 -21.449 11.197 949 HA3 GLY 124 2HA GLY 124 -24.874 -21.680 10.533 Start of MODEL 4 1 H1 GLY 1 H GLY 1 23.439 12.399 9.280 2 HA2 GLY 1 1HA GLY 1 25.158 11.354 11.188 3 HA3 GLY 1 2HA GLY 1 25.855 10.942 9.628 4 H SER 2 H SER 2 26.753 12.538 8.351 5 HA SER 2 HA SER 2 27.450 14.974 9.772 6 HB2 SER 2 1HB SER 2 29.229 13.726 8.638 7 HB3 SER 2 2HB SER 2 28.391 13.908 7.098 8 HG SER 2 HG SER 2 28.677 16.166 7.296 9 H SER 3 H SER 3 26.350 16.792 9.540 10 HA SER 3 HA SER 3 25.229 17.485 6.933 11 HB2 SER 3 1HB SER 3 23.062 18.113 7.926 12 HB3 SER 3 2HB SER 3 23.385 16.391 8.129 13 HG SER 3 HG SER 3 23.141 16.724 10.178 14 H GLY 4 H GLY 4 24.801 19.738 6.667 15 HA2 GLY 4 1HA GLY 4 25.746 21.508 8.802 16 HA3 GLY 4 2HA GLY 4 26.592 21.559 7.262 17 H SER 5 H SER 5 23.908 22.657 9.046 18 HA SER 5 HA SER 5 22.035 23.312 7.127 19 HB2 SER 5 1HB SER 5 21.722 23.628 9.568 20 HB3 SER 5 2HB SER 5 22.817 25.009 9.511 21 HG SER 5 HG SER 5 21.338 25.996 8.051 22 H SER 6 H SER 6 21.811 24.854 5.598 23 HA SER 6 HA SER 6 24.155 26.540 5.074 24 HB2 SER 6 1HB SER 6 23.201 26.759 2.781 25 HB3 SER 6 2HB SER 6 23.540 25.087 3.229 26 HG SER 6 HG SER 6 21.325 25.900 2.291 27 H GLY 7 H GLY 7 20.612 26.676 5.247 28 HA2 GLY 7 1HA GLY 7 19.806 28.664 6.558 29 HA3 GLY 7 2HA GLY 7 20.834 29.612 5.493 30 H GLU 8 H GLU 8 17.807 28.003 5.863 31 HA GLU 8 HA GLU 8 17.036 28.780 3.130 32 HB2 GLU 8 1HB GLU 8 16.733 26.417 3.511 33 HB3 GLU 8 2HB GLU 8 15.851 26.725 5.000 34 HG2 GLU 8 1HG GLU 8 14.117 27.893 3.617 35 HG3 GLU 8 2HG GLU 8 14.960 27.297 2.188 36 H THR 9 H THR 9 15.207 30.008 2.780 37 HA THR 9 HA THR 9 13.932 31.153 5.178 38 HB THR 9 HB THR 9 15.477 32.782 4.148 39 HG1 THR 9 1HG THR 9 12.857 33.669 3.574 40 HG21 THR 9 1HG2 THR 9 15.301 31.965 1.825 41 HG22 THR 9 2HG2 THR 9 15.017 33.701 1.946 42 HG23 THR 9 3HG2 THR 9 13.657 32.596 1.746 43 H GLY 10 H GLY 10 11.737 31.672 5.030 44 HA2 GLY 10 1HA GLY 10 9.607 31.719 4.097 45 HA3 GLY 10 2HA GLY 10 10.299 31.220 2.561 46 H GLY 11 H GLY 11 8.551 29.740 2.306 47 HA2 GLY 11 1HA GLY 11 9.074 27.201 3.667 48 HA3 GLY 11 2HA GLY 11 7.449 27.861 3.778 49 H GLU 12 H GLU 12 9.501 25.889 2.013 50 HA GLU 12 HA GLU 12 8.440 26.240 -0.597 51 HB2 GLU 12 1HB GLU 12 10.118 24.190 0.767 52 HB3 GLU 12 2HB GLU 12 9.344 23.743 -0.746 53 HG2 GLU 12 1HG GLU 12 10.888 26.285 -0.596 54 HG3 GLU 12 2HG GLU 12 11.748 24.752 -0.724 55 H ARG 13 H ARG 13 7.339 24.341 -1.742 56 HA ARG 13 HA ARG 13 4.754 24.062 -0.935 57 HB2 ARG 13 1HB ARG 13 4.551 22.206 -2.466 58 HB3 ARG 13 2HB ARG 13 5.641 23.400 -3.156 59 HG2 ARG 13 1HG ARG 13 7.554 22.032 -2.361 60 HG3 ARG 13 2HG ARG 13 6.400 20.804 -1.839 61 HD2 ARG 13 1HD ARG 13 6.981 20.027 -3.927 62 HD3 ARG 13 2HD ARG 13 5.539 20.972 -4.293 63 HE ARG 13 HE ARG 13 8.280 21.612 -5.013 64 HH11 ARG 13 1HH1 ARG 13 4.967 22.659 -4.801 65 HH12 ARG 13 2HH1 ARG 13 5.164 23.946 -5.944 66 HH21 ARG 13 1HH2 ARG 13 8.552 23.302 -6.520 67 HH22 ARG 13 2HH2 ARG 13 7.203 24.310 -6.922 68 H GLN 14 H GLN 14 3.523 22.431 0.084 69 HA GLN 14 HA GLN 14 5.066 20.741 1.939 70 HB2 GLN 14 1HB GLN 14 2.321 21.883 2.459 71 HB3 GLN 14 2HB GLN 14 3.363 21.046 3.602 72 HG2 GLN 14 1HG GLN 14 5.010 22.940 3.274 73 HG3 GLN 14 2HG GLN 14 3.710 23.791 2.441 74 HE21 GLN 14 1HE2 GLN 14 4.060 25.360 4.171 75 HE22 GLN 14 2HE2 GLN 14 3.245 25.133 5.677 76 H LEU 15 H LEU 15 5.002 18.763 1.041 77 HA LEU 15 HA LEU 15 2.866 17.750 -0.500 78 HB2 LEU 15 1HB LEU 15 4.761 16.599 -0.970 79 HB3 LEU 15 2HB LEU 15 5.353 16.685 0.688 80 HG LEU 15 HG LEU 15 3.805 14.875 1.313 81 HD11 LEU 15 1HD1 LEU 15 3.270 14.172 -1.500 82 HD12 LEU 15 2HD1 LEU 15 2.364 15.540 -0.853 83 HD13 LEU 15 3HD1 LEU 15 2.268 13.966 -0.064 84 HD21 LEU 15 1HD2 LEU 15 5.456 13.464 0.854 85 HD22 LEU 15 2HD2 LEU 15 6.162 14.696 -0.192 86 HD23 LEU 15 3HD2 LEU 15 5.065 13.489 -0.865 87 H SER 16 H SER 16 0.987 16.883 0.077 88 HA SER 16 HA SER 16 0.640 16.054 2.885 89 HB2 SER 16 1HB SER 16 -1.104 17.639 1.055 90 HB3 SER 16 2HB SER 16 -1.887 16.561 2.211 91 HG SER 16 HG SER 16 0.148 18.199 3.173 92 HA PRO 17 HA PRO 17 -0.189 12.042 1.207 93 HB2 PRO 17 1HB PRO 17 -1.121 10.913 3.494 94 HB3 PRO 17 2HB PRO 17 0.595 11.226 3.207 95 HG2 PRO 17 1HG PRO 17 -1.385 12.824 4.785 96 HG3 PRO 17 2HG PRO 17 0.292 12.408 5.187 97 HD2 PRO 17 1HD PRO 17 -0.413 14.830 4.203 98 HD3 PRO 17 2HD PRO 17 1.158 14.078 3.855 99 H GLU 18 H GLU 18 -2.633 13.371 3.448 100 HA GLU 18 HA GLU 18 -4.813 11.897 2.633 101 HB2 GLU 18 1HB GLU 18 -6.167 13.950 3.328 102 HB3 GLU 18 2HB GLU 18 -5.099 13.249 4.536 103 HG2 GLU 18 1HG GLU 18 -4.070 15.461 2.838 104 HG3 GLU 18 2HG GLU 18 -5.199 15.838 4.138 105 H LYS 19 H LYS 19 -3.206 14.486 0.990 106 HA LYS 19 HA LYS 19 -5.361 15.023 -0.844 107 HB2 LYS 19 1HB LYS 19 -2.560 15.980 -0.487 108 HB3 LYS 19 2HB LYS 19 -3.304 16.178 -2.069 109 HG2 LYS 19 1HG LYS 19 -4.842 17.067 0.308 110 HG3 LYS 19 2HG LYS 19 -3.459 18.039 -0.203 111 HD2 LYS 19 1HD LYS 19 -5.221 18.988 -1.381 112 HD3 LYS 19 2HD LYS 19 -4.519 17.876 -2.559 113 HE2 LYS 19 1HE LYS 19 -6.682 16.863 -0.789 114 HE3 LYS 19 2HE LYS 19 -7.126 17.965 -2.092 115 HZ1 LYS 19 1HZ LYS 19 -7.101 15.444 -2.535 116 HZ2 LYS 19 2HZ LYS 19 -5.423 15.627 -2.648 117 HZ3 LYS 19 3HZ LYS 19 -6.439 16.480 -3.698 118 H SER 20 H SER 20 -2.247 13.327 -0.980 119 HA SER 20 HA SER 20 -2.087 12.653 -3.618 120 HB2 SER 20 1HB SER 20 -1.501 10.778 -1.313 121 HB3 SER 20 2HB SER 20 -0.834 10.669 -2.942 122 HG SER 20 HG SER 20 0.534 11.716 -1.331 123 H GLU 21 H GLU 21 -2.830 10.974 -4.931 124 HA GLU 21 HA GLU 21 -5.311 9.701 -3.985 125 HB2 GLU 21 1HB GLU 21 -5.659 9.483 -6.580 126 HB3 GLU 21 2HB GLU 21 -6.026 10.990 -5.753 127 HG2 GLU 21 1HG GLU 21 -4.081 12.029 -6.541 128 HG3 GLU 21 2HG GLU 21 -3.356 10.496 -7.020 129 H ILE 22 H ILE 22 -5.464 7.541 -3.986 130 HA ILE 22 HA ILE 22 -3.228 6.021 -5.154 131 HB ILE 22 HB ILE 22 -5.028 5.261 -2.850 132 HG12 ILE 22 1HG1 ILE 22 -2.164 6.203 -2.996 133 HG13 ILE 22 2HG1 ILE 22 -3.497 6.932 -2.108 134 HG21 ILE 22 1HG2 ILE 22 -4.136 3.424 -4.414 135 HG22 ILE 22 2HG2 ILE 22 -2.563 3.788 -3.705 136 HG23 ILE 22 3HG2 ILE 22 -3.887 3.238 -2.678 137 HD11 ILE 22 1HD1 ILE 22 -2.622 5.877 -0.351 138 HD12 ILE 22 2HD1 ILE 22 -3.399 4.441 -1.018 139 HD13 ILE 22 3HD1 ILE 22 -1.698 4.762 -1.357 140 H TRP 23 H TRP 23 -3.863 5.294 -7.091 141 HA TRP 23 HA TRP 23 -6.475 3.937 -7.254 142 HB2 TRP 23 1HB TRP 23 -6.693 4.629 -9.536 143 HB3 TRP 23 2HB TRP 23 -6.293 6.062 -8.592 144 HD1 TRP 23 HD TRP 23 -4.596 3.540 -10.982 145 HE1 TRP 23 1HE TRP 23 -2.625 4.732 -12.132 146 HE3 TRP 23 3HE TRP 23 -4.768 7.993 -8.478 147 HZ2 TRP 23 2HZ TRP 23 -1.317 7.229 -11.995 148 HZ3 TRP 23 3HZ TRP 23 -3.122 9.731 -9.046 149 HH2 TRP 23 HH TRP 23 -1.432 9.354 -10.768 150 H GLY 24 H GLY 24 -6.560 2.220 -8.950 151 HA2 GLY 24 1HA GLY 24 -4.846 0.920 -10.398 152 HA3 GLY 24 2HA GLY 24 -4.068 0.665 -8.843 153 HA PRO 25 HA PRO 25 -7.376 -2.605 -9.799 154 HB2 PRO 25 1HB PRO 25 -5.706 -4.689 -10.286 155 HB3 PRO 25 2HB PRO 25 -6.287 -3.606 -11.557 156 HG2 PRO 25 1HG PRO 25 -3.666 -3.594 -10.112 157 HG3 PRO 25 2HG PRO 25 -3.992 -3.367 -11.840 158 HD2 PRO 25 1HD PRO 25 -3.509 -1.296 -10.163 159 HD3 PRO 25 2HD PRO 25 -4.590 -1.158 -11.565 160 H GLY 26 H GLY 26 -4.842 -1.977 -7.681 161 HA2 GLY 26 1HA GLY 26 -4.838 -4.320 -6.090 162 HA3 GLY 26 2HA GLY 26 -4.297 -2.728 -5.579 163 H LEU 27 H LEU 27 -7.340 -2.242 -6.634 164 HA LEU 27 HA LEU 27 -8.470 -2.679 -3.948 165 HB2 LEU 27 1HB LEU 27 -9.259 -0.599 -5.982 166 HB3 LEU 27 2HB LEU 27 -9.914 -0.774 -4.355 167 HG LEU 27 HG LEU 27 -7.014 -0.161 -4.864 168 HD11 LEU 27 1HD1 LEU 27 -8.967 1.499 -5.707 169 HD12 LEU 27 2HD1 LEU 27 -7.399 2.041 -5.108 170 HD13 LEU 27 3HD1 LEU 27 -8.797 2.025 -4.033 171 HD21 LEU 27 1HD2 LEU 27 -7.200 -0.827 -2.669 172 HD22 LEU 27 2HD2 LEU 27 -8.839 -0.196 -2.502 173 HD23 LEU 27 3HD2 LEU 27 -7.466 0.911 -2.528 174 H LYS 28 H LYS 28 -8.448 -4.257 -6.632 175 HA LYS 28 HA LYS 28 -11.281 -4.441 -7.216 176 HB2 LYS 28 1HB LYS 28 -8.839 -5.832 -8.303 177 HB3 LYS 28 2HB LYS 28 -10.468 -6.312 -8.761 178 HG2 LYS 28 1HG LYS 28 -10.750 -3.796 -9.358 179 HG3 LYS 28 2HG LYS 28 -8.985 -3.802 -9.392 180 HD2 LYS 28 1HD LYS 28 -9.204 -5.833 -10.933 181 HD3 LYS 28 2HD LYS 28 -10.901 -5.373 -11.093 182 HE2 LYS 28 1HE LYS 28 -10.398 -3.407 -12.198 183 HE3 LYS 28 2HE LYS 28 -8.765 -3.332 -11.537 184 HZ1 LYS 28 1HZ LYS 28 -9.191 -5.651 -13.160 185 HZ2 LYS 28 2HZ LYS 28 -7.967 -4.487 -13.244 186 HZ3 LYS 28 3HZ LYS 28 -9.445 -4.216 -14.020 187 H ALA 29 H ALA 29 -12.039 -6.872 -7.509 188 HA ALA 29 HA ALA 29 -11.787 -8.071 -4.855 189 HB1 ALA 29 1HB ALA 29 -14.038 -7.743 -5.437 190 HB2 ALA 29 2HB ALA 29 -13.798 -8.383 -7.064 191 HB3 ALA 29 3HB ALA 29 -13.749 -9.467 -5.674 192 H ASP 30 H ASP 30 -12.028 -9.297 -8.200 193 HA ASP 30 HA ASP 30 -10.364 -11.581 -7.404 194 HB2 ASP 30 1HB ASP 30 -12.619 -11.982 -8.460 195 HB3 ASP 30 2HB ASP 30 -11.976 -11.278 -9.941 196 H VAL 31 H VAL 31 -8.312 -10.729 -7.547 197 HA VAL 31 HA VAL 31 -7.430 -9.220 -9.817 198 HB VAL 31 HB VAL 31 -5.161 -9.494 -8.831 199 HG11 VAL 31 1HG1 VAL 31 -7.469 -8.433 -7.264 200 HG12 VAL 31 2HG1 VAL 31 -5.850 -8.392 -6.564 201 HG13 VAL 31 3HG1 VAL 31 -6.174 -7.564 -8.087 202 HG21 VAL 31 1HG2 VAL 31 -4.680 -10.925 -7.164 203 HG22 VAL 31 2HG2 VAL 31 -6.212 -10.640 -6.338 204 HG23 VAL 31 3HG2 VAL 31 -6.139 -11.758 -7.699 205 H VAL 32 H VAL 32 -5.100 -10.107 -10.657 206 HA VAL 32 HA VAL 32 -5.751 -12.257 -12.387 207 HB VAL 32 HB VAL 32 -3.392 -12.131 -13.119 208 HG11 VAL 32 1HG1 VAL 32 -5.339 -10.443 -13.702 209 HG12 VAL 32 2HG1 VAL 32 -4.260 -9.295 -12.907 210 HG13 VAL 32 3HG1 VAL 32 -3.701 -10.207 -14.310 211 HG21 VAL 32 1HG2 VAL 32 -3.145 -10.074 -10.925 212 HG22 VAL 32 2HG2 VAL 32 -2.349 -11.647 -10.976 213 HG23 VAL 32 3HG2 VAL 32 -1.928 -10.406 -12.156 214 H LEU 33 H LEU 33 -4.745 -14.321 -12.546 215 HA LEU 33 HA LEU 33 -4.831 -15.994 -10.477 216 HB2 LEU 33 1HB LEU 33 -3.181 -15.947 -12.922 217 HB3 LEU 33 2HB LEU 33 -2.672 -17.077 -11.669 218 HG LEU 33 HG LEU 33 -5.454 -17.024 -12.826 219 HD11 LEU 33 1HD1 LEU 33 -4.857 -18.385 -14.513 220 HD12 LEU 33 2HD1 LEU 33 -3.616 -19.200 -13.561 221 HD13 LEU 33 3HD1 LEU 33 -3.276 -17.633 -14.297 222 HD21 LEU 33 1HD2 LEU 33 -4.386 -18.257 -10.563 223 HD22 LEU 33 2HD2 LEU 33 -4.484 -19.529 -11.780 224 HD23 LEU 33 3HD2 LEU 33 -5.927 -18.611 -11.344 225 HA PRO 34 HA PRO 34 -0.264 -15.252 -9.098 226 HB2 PRO 34 1HB PRO 34 1.073 -13.190 -10.252 227 HB3 PRO 34 2HB PRO 34 1.075 -14.828 -10.916 228 HG2 PRO 34 1HG PRO 34 -0.558 -12.455 -11.731 229 HG3 PRO 34 2HG PRO 34 0.269 -13.647 -12.751 230 HD2 PRO 34 1HD PRO 34 -2.392 -13.746 -12.261 231 HD3 PRO 34 2HD PRO 34 -1.412 -15.205 -12.512 232 H ALA 35 H ALA 35 -0.244 -11.910 -10.022 233 HA ALA 35 HA ALA 35 -1.846 -10.898 -7.906 234 HB1 ALA 35 1HB ALA 35 0.561 -11.818 -6.999 235 HB2 ALA 35 2HB ALA 35 0.900 -10.110 -7.285 236 HB3 ALA 35 3HB ALA 35 -0.418 -10.579 -6.212 237 H ARG 36 H ARG 36 -1.719 -8.536 -7.736 238 HA ARG 36 HA ARG 36 -0.441 -7.266 -10.060 239 HB2 ARG 36 1HB ARG 36 -3.316 -7.209 -9.250 240 HB3 ARG 36 2HB ARG 36 -2.615 -5.766 -9.970 241 HG2 ARG 36 1HG ARG 36 -2.193 -8.362 -11.347 242 HG3 ARG 36 2HG ARG 36 -3.790 -7.616 -11.430 243 HD2 ARG 36 1HD ARG 36 -1.402 -5.929 -11.981 244 HD3 ARG 36 2HD ARG 36 -1.917 -7.081 -13.213 245 HE ARG 36 HE ARG 36 -4.148 -5.613 -12.360 246 HH11 ARG 36 1HH1 ARG 36 -1.178 -5.175 -14.123 247 HH12 ARG 36 2HH1 ARG 36 -1.795 -3.883 -15.098 248 HH21 ARG 36 1HH2 ARG 36 -4.972 -3.913 -13.638 249 HH22 ARG 36 2HH2 ARG 36 -3.953 -3.166 -14.821 250 H TYR 37 H TYR 37 -0.317 -4.872 -9.839 251 HA TYR 37 HA TYR 37 -0.158 -4.027 -7.025 252 HB2 TYR 37 1HB TYR 37 1.894 -2.669 -7.802 253 HB3 TYR 37 2HB TYR 37 2.101 -4.395 -7.526 254 HD1 TYR 37 1HD TYR 37 1.157 -2.093 -10.321 255 HD2 TYR 37 2HD TYR 37 3.286 -5.572 -9.111 256 HE1 TYR 37 1HE TYR 37 2.027 -2.347 -12.607 257 HE2 TYR 37 2HE TYR 37 4.164 -5.835 -11.394 258 HH TYR 37 HH TYR 37 3.839 -3.388 -13.782 259 H PHE 38 H PHE 38 -0.222 -1.699 -6.711 260 HA PHE 38 HA PHE 38 -1.738 -0.355 -8.849 261 HB2 PHE 38 1HB PHE 38 -2.696 1.044 -6.996 262 HB3 PHE 38 2HB PHE 38 -3.135 -0.660 -6.920 263 HD1 PHE 38 1HD PHE 38 -2.031 -2.140 -5.263 264 HD2 PHE 38 2HD PHE 38 -1.467 2.079 -5.266 265 HE1 PHE 38 1HE PHE 38 -1.187 -2.255 -2.955 266 HE2 PHE 38 2HE PHE 38 -0.620 1.971 -2.958 267 HZ PHE 38 HZ PHE 38 -0.479 -0.198 -1.800 268 H TYR 39 H TYR 39 -1.664 2.199 -8.241 269 HA TYR 39 HA TYR 39 1.194 2.886 -8.028 270 HB2 TYR 39 1HB TYR 39 -0.833 4.340 -9.732 271 HB3 TYR 39 2HB TYR 39 0.909 4.588 -9.699 272 HD1 TYR 39 1HD TYR 39 -1.803 2.438 -10.894 273 HD2 TYR 39 2HD TYR 39 2.408 3.039 -10.821 274 HE1 TYR 39 1HE TYR 39 -1.545 0.810 -12.719 275 HE2 TYR 39 2HE TYR 39 2.678 1.414 -12.647 276 HH TYR 39 HH TYR 39 -0.041 -0.468 -13.848 277 H ILE 40 H ILE 40 1.684 4.971 -7.155 278 HA ILE 40 HA ILE 40 -0.493 6.165 -5.573 279 HB ILE 40 HB ILE 40 2.320 5.577 -4.655 280 HG12 ILE 40 1HG1 ILE 40 -0.259 4.816 -3.302 281 HG13 ILE 40 2HG1 ILE 40 0.438 3.812 -4.569 282 HG21 ILE 40 1HG2 ILE 40 1.123 6.604 -2.473 283 HG22 ILE 40 2HG2 ILE 40 2.114 7.550 -3.583 284 HG23 ILE 40 3HG2 ILE 40 0.357 7.572 -3.733 285 HD11 ILE 40 1HD1 ILE 40 2.579 4.145 -2.960 286 HD12 ILE 40 2HD1 ILE 40 1.265 4.187 -1.784 287 HD13 ILE 40 3HD1 ILE 40 1.449 2.796 -2.852 288 H GLN 41 H GLN 41 -0.832 8.101 -6.458 289 HA GLN 41 HA GLN 41 1.437 9.652 -7.458 290 HB2 GLN 41 1HB GLN 41 -0.376 9.484 -9.014 291 HB3 GLN 41 2HB GLN 41 -1.545 9.965 -7.792 292 HG2 GLN 41 1HG GLN 41 -1.311 11.894 -9.012 293 HG3 GLN 41 2HG GLN 41 -0.165 12.156 -7.698 294 HE21 GLN 41 1HE2 GLN 41 1.846 12.670 -8.214 295 HE22 GLN 41 2HE2 GLN 41 2.554 12.520 -9.783 296 H ALA 42 H ALA 42 2.300 11.231 -6.296 297 HA ALA 42 HA ALA 42 1.182 11.989 -3.768 298 HB1 ALA 42 1HB ALA 42 3.715 11.943 -4.816 299 HB2 ALA 42 2HB ALA 42 3.349 13.668 -4.763 300 HB3 ALA 42 3HB ALA 42 3.246 12.700 -3.293 301 H VAL 43 H VAL 43 0.493 14.059 -3.125 302 HA VAL 43 HA VAL 43 -0.034 16.021 -5.229 303 HB VAL 43 HB VAL 43 -2.190 15.006 -3.371 304 HG11 VAL 43 1HG1 VAL 43 -2.145 17.186 -5.443 305 HG12 VAL 43 2HG1 VAL 43 -3.640 16.463 -4.847 306 HG13 VAL 43 3HG1 VAL 43 -2.565 17.311 -3.735 307 HG21 VAL 43 1HG2 VAL 43 -1.436 13.571 -5.390 308 HG22 VAL 43 2HG2 VAL 43 -3.157 13.880 -5.156 309 HG23 VAL 43 3HG2 VAL 43 -2.251 14.801 -6.357 310 H ASP 44 H ASP 44 -0.388 18.146 -4.467 311 HA ASP 44 HA ASP 44 0.957 18.710 -1.984 312 HB2 ASP 44 1HB ASP 44 -0.416 20.688 -3.808 313 HB3 ASP 44 2HB ASP 44 0.863 21.011 -2.640 314 H THR 45 H THR 45 -0.088 20.627 -0.667 315 HA THR 45 HA THR 45 -2.383 19.548 0.602 316 HB THR 45 HB THR 45 -2.268 21.363 2.116 317 HG1 THR 45 1HG THR 45 -2.214 23.123 0.741 318 HG21 THR 45 1HG2 THR 45 0.601 21.461 1.530 319 HG22 THR 45 2HG2 THR 45 -0.067 19.829 1.581 320 HG23 THR 45 3HG2 THR 45 -0.242 20.898 2.972 321 H SER 46 H SER 46 -2.051 21.409 -2.174 322 HA SER 46 HA SER 46 -4.688 22.655 -1.891 323 HB2 SER 46 1HB SER 46 -2.585 23.021 -4.039 324 HB3 SER 46 2HB SER 46 -4.095 23.923 -3.915 325 HG SER 46 HG SER 46 -2.858 25.232 -2.803 326 H GLY 47 H GLY 47 -2.919 20.292 -3.798 327 HA2 GLY 47 1HA GLY 47 -4.321 18.374 -4.534 328 HA3 GLY 47 2HA GLY 47 -5.462 19.573 -5.123 329 H ASN 48 H ASN 48 -1.934 19.571 -5.420 330 HA ASN 48 HA ASN 48 -2.281 19.494 -8.345 331 HB2 ASN 48 1HB ASN 48 0.042 20.751 -6.882 332 HB3 ASN 48 2HB ASN 48 -0.385 20.927 -8.581 333 HD21 ASN 48 1HD2 ASN 48 -0.357 22.500 -5.764 334 HD22 ASN 48 2HD2 ASN 48 -1.684 23.582 -5.993 335 H LYS 49 H LYS 49 -0.671 18.406 -9.584 336 HA LYS 49 HA LYS 49 0.297 16.017 -8.297 337 HB2 LYS 49 1HB LYS 49 0.235 17.031 -11.118 338 HB3 LYS 49 2HB LYS 49 1.243 15.650 -10.704 339 HG2 LYS 49 1HG LYS 49 -0.643 14.375 -10.020 340 HG3 LYS 49 2HG LYS 49 -1.704 15.783 -10.121 341 HD2 LYS 49 1HD LYS 49 -1.735 15.757 -12.433 342 HD3 LYS 49 2HD LYS 49 -0.211 14.873 -12.545 343 HE2 LYS 49 1HE LYS 49 -1.207 12.839 -12.170 344 HE3 LYS 49 2HE LYS 49 -2.547 13.542 -11.266 345 HZ1 LYS 49 1HZ LYS 49 -3.469 14.381 -13.320 346 HZ2 LYS 49 2HZ LYS 49 -3.242 12.709 -13.436 347 HZ3 LYS 49 3HZ LYS 49 -2.165 13.763 -14.203 348 H PHE 50 H PHE 50 2.371 15.464 -7.835 349 HA PHE 50 HA PHE 50 4.297 17.612 -7.702 350 HB2 PHE 50 1HB PHE 50 4.074 14.861 -6.594 351 HB3 PHE 50 2HB PHE 50 5.694 15.523 -6.785 352 HD1 PHE 50 1HD PHE 50 2.366 16.650 -5.520 353 HD2 PHE 50 2HD PHE 50 6.583 16.565 -4.954 354 HE1 PHE 50 1HE PHE 50 2.104 17.884 -3.408 355 HE2 PHE 50 2HE PHE 50 6.328 17.799 -2.841 356 HZ PHE 50 HZ PHE 50 4.086 18.460 -2.065 357 H THR 51 H THR 51 4.080 14.438 -9.278 358 HA THR 51 HA THR 51 5.293 13.483 -10.961 359 HB THR 51 HB THR 51 5.753 14.956 -12.910 360 HG1 THR 51 1HG THR 51 5.125 17.159 -12.726 361 HG21 THR 51 1HG2 THR 51 3.208 14.445 -11.667 362 HG22 THR 51 2HG2 THR 51 3.633 14.453 -13.378 363 HG23 THR 51 3HG2 THR 51 3.150 15.951 -12.582 364 H SER 52 H SER 52 6.793 14.530 -8.626 365 HA SER 52 HA SER 52 9.429 14.721 -9.924 366 HB2 SER 52 1HB SER 52 8.563 16.890 -8.846 367 HB3 SER 52 2HB SER 52 8.810 16.074 -7.302 368 HG SER 52 HG SER 52 10.611 17.303 -8.815 369 H SER 53 H SER 53 11.214 14.218 -8.253 370 HA SER 53 HA SER 53 10.516 11.664 -7.038 371 HB2 SER 53 1HB SER 53 13.004 11.435 -6.766 372 HB3 SER 53 2HB SER 53 12.478 11.642 -8.436 373 HG SER 53 HG SER 53 14.322 12.974 -7.582 374 HA PRO 54 HA PRO 54 10.209 13.760 -3.091 375 HB2 PRO 54 1HB PRO 54 9.391 11.565 -1.717 376 HB3 PRO 54 2HB PRO 54 8.308 12.519 -2.738 377 HG2 PRO 54 1HG PRO 54 9.713 9.948 -3.352 378 HG3 PRO 54 2HG PRO 54 8.043 10.425 -3.713 379 HD2 PRO 54 1HD PRO 54 10.014 10.501 -5.569 380 HD3 PRO 54 2HD PRO 54 8.661 11.650 -5.565 381 H GLY 55 H GLY 55 11.588 10.471 -3.323 382 HA2 GLY 55 1HA GLY 55 14.154 11.011 -2.550 383 HA3 GLY 55 2HA GLY 55 13.276 10.867 -1.034 384 H GLU 56 H GLU 56 14.737 9.059 -0.641 385 HA GLU 56 HA GLU 56 14.782 6.741 -2.227 386 HB2 GLU 56 1HB GLU 56 15.509 7.404 0.581 387 HB3 GLU 56 2HB GLU 56 15.328 5.705 0.170 388 HG2 GLU 56 1HG GLU 56 17.654 6.665 0.005 389 HG3 GLU 56 2HG GLU 56 17.065 5.786 -1.405 390 H LYS 57 H LYS 57 13.283 6.926 0.995 391 HA LYS 57 HA LYS 57 10.977 5.438 -0.062 392 HB2 LYS 57 1HB LYS 57 12.264 4.877 2.612 393 HB3 LYS 57 2HB LYS 57 10.952 3.984 1.854 394 HG2 LYS 57 1HG LYS 57 13.625 4.190 0.527 395 HG3 LYS 57 2HG LYS 57 13.330 3.001 1.798 396 HD2 LYS 57 1HD LYS 57 11.763 1.849 0.531 397 HD3 LYS 57 2HD LYS 57 11.443 3.235 -0.514 398 HE2 LYS 57 1HE LYS 57 13.869 2.959 -1.293 399 HE3 LYS 57 2HE LYS 57 13.799 1.374 -0.527 400 HZ1 LYS 57 1HZ LYS 57 13.254 1.152 -2.829 401 HZ2 LYS 57 2HZ LYS 57 12.071 2.356 -2.731 402 HZ3 LYS 57 3HZ LYS 57 11.846 0.883 -1.931 403 H VAL 58 H VAL 58 9.372 6.880 0.081 404 HA VAL 58 HA VAL 58 9.068 8.368 2.609 405 HB VAL 58 HB VAL 58 7.809 10.058 1.350 406 HG11 VAL 58 1HG1 VAL 58 10.262 10.256 1.686 407 HG12 VAL 58 2HG1 VAL 58 10.499 9.545 0.089 408 HG13 VAL 58 3HG1 VAL 58 9.676 11.097 0.251 409 HG21 VAL 58 1HG2 VAL 58 7.881 10.013 -1.130 410 HG22 VAL 58 2HG2 VAL 58 8.537 8.378 -1.047 411 HG23 VAL 58 3HG2 VAL 58 6.917 8.709 -0.436 412 H PHE 59 H PHE 59 7.403 6.571 0.072 413 HA PHE 59 HA PHE 59 4.975 6.512 1.722 414 HB2 PHE 59 1HB PHE 59 5.452 5.944 -1.202 415 HB3 PHE 59 2HB PHE 59 3.942 5.538 -0.394 416 HD1 PHE 59 1HD PHE 59 2.952 7.580 1.035 417 HD2 PHE 59 2HD PHE 59 5.520 7.926 -2.341 418 HE1 PHE 59 1HE PHE 59 2.128 9.866 0.647 419 HE2 PHE 59 2HE PHE 59 4.702 10.212 -2.734 420 HZ PHE 59 HZ PHE 59 3.004 11.186 -1.239 421 H GLN 60 H GLN 60 4.833 4.829 3.042 422 HA GLN 60 HA GLN 60 6.084 2.292 2.271 423 HB2 GLN 60 1HB GLN 60 6.771 3.122 4.433 424 HB3 GLN 60 2HB GLN 60 5.098 3.306 4.941 425 HG2 GLN 60 1HG GLN 60 6.013 1.351 5.967 426 HG3 GLN 60 2HG GLN 60 4.817 0.859 4.769 427 HE21 GLN 60 1HE2 GLN 60 6.149 -1.168 5.235 428 HE22 GLN 60 2HE2 GLN 60 7.473 -1.462 4.165 429 H VAL 61 H VAL 61 4.953 0.333 2.357 430 HA VAL 61 HA VAL 61 2.031 0.521 2.611 431 HB VAL 61 HB VAL 61 3.445 -0.943 0.378 432 HG11 VAL 61 1HG1 VAL 61 1.386 -1.677 -0.365 433 HG12 VAL 61 2HG1 VAL 61 1.199 -1.788 1.386 434 HG13 VAL 61 3HG1 VAL 61 0.506 -0.423 0.509 435 HG21 VAL 61 1HG2 VAL 61 3.430 0.966 -0.755 436 HG22 VAL 61 2HG2 VAL 61 1.674 1.028 -0.602 437 HG23 VAL 61 3HG2 VAL 61 2.692 1.800 0.613 438 H LYS 62 H LYS 62 1.054 -1.203 3.556 439 HA LYS 62 HA LYS 62 2.723 -3.549 4.169 440 HB2 LYS 62 1HB LYS 62 2.671 -2.294 6.196 441 HB3 LYS 62 2HB LYS 62 0.948 -1.980 6.037 442 HG2 LYS 62 1HG LYS 62 1.091 -3.613 7.689 443 HG3 LYS 62 2HG LYS 62 0.648 -4.508 6.234 444 HD2 LYS 62 1HD LYS 62 3.076 -5.018 5.910 445 HD3 LYS 62 2HD LYS 62 3.383 -4.286 7.486 446 HE2 LYS 62 1HE LYS 62 2.373 -5.997 8.628 447 HE3 LYS 62 2HE LYS 62 1.302 -6.404 7.288 448 HZ1 LYS 62 1HZ LYS 62 3.943 -6.858 6.479 449 HZ2 LYS 62 2HZ LYS 62 2.705 -7.990 6.696 450 HZ3 LYS 62 3HZ LYS 62 3.731 -7.601 7.984 451 H VAL 63 H VAL 63 1.652 -5.531 4.315 452 HA VAL 63 HA VAL 63 -1.162 -5.525 3.437 453 HB VAL 63 HB VAL 63 1.063 -7.327 2.481 454 HG11 VAL 63 1HG1 VAL 63 -1.347 -7.848 1.099 455 HG12 VAL 63 2HG1 VAL 63 -0.427 -8.937 2.138 456 HG13 VAL 63 3HG1 VAL 63 -1.702 -7.930 2.824 457 HG21 VAL 63 1HG2 VAL 63 -0.784 -5.879 0.665 458 HG22 VAL 63 2HG2 VAL 63 0.448 -4.936 1.504 459 HG23 VAL 63 3HG2 VAL 63 0.921 -6.278 0.462 460 H SER 64 H SER 64 -2.461 -6.519 4.819 461 HA SER 64 HA SER 64 -1.367 -8.697 6.473 462 HB2 SER 64 1HB SER 64 -3.311 -6.545 7.342 463 HB3 SER 64 2HB SER 64 -2.830 -7.930 8.321 464 HG SER 64 HG SER 64 -0.735 -7.144 8.355 465 H ALA 65 H ALA 65 -2.460 -10.549 6.373 466 HA ALA 65 HA ALA 65 -4.977 -10.604 4.895 467 HB1 ALA 65 1HB ALA 65 -4.402 -13.211 5.413 468 HB2 ALA 65 2HB ALA 65 -3.858 -12.324 3.988 469 HB3 ALA 65 3HB ALA 65 -2.790 -12.495 5.380 470 HA PRO 66 HA PRO 66 -7.126 -10.827 8.812 471 HB2 PRO 66 1HB PRO 66 -9.616 -10.862 7.731 472 HB3 PRO 66 2HB PRO 66 -8.657 -9.385 7.889 473 HG2 PRO 66 1HG PRO 66 -9.059 -11.135 5.494 474 HG3 PRO 66 2HG PRO 66 -9.058 -9.365 5.598 475 HD2 PRO 66 1HD PRO 66 -6.919 -10.774 4.719 476 HD3 PRO 66 2HD PRO 66 -6.756 -9.241 5.600 477 H GLU 67 H GLU 67 -7.406 -13.005 6.097 478 HA GLU 67 HA GLU 67 -8.906 -14.976 7.605 479 HB2 GLU 67 1HB GLU 67 -9.229 -14.587 5.140 480 HB3 GLU 67 2HB GLU 67 -7.633 -15.280 4.883 481 HG2 GLU 67 1HG GLU 67 -8.430 -17.365 5.975 482 HG3 GLU 67 2HG GLU 67 -10.044 -16.660 6.034 483 H GLU 68 H GLU 68 -5.710 -14.841 6.030 484 HA GLU 68 HA GLU 68 -4.770 -17.280 7.058 485 HB2 GLU 68 1HB GLU 68 -3.722 -16.134 5.156 486 HB3 GLU 68 2HB GLU 68 -3.195 -14.839 6.222 487 HG2 GLU 68 1HG GLU 68 -1.288 -16.086 6.069 488 HG3 GLU 68 2HG GLU 68 -2.019 -16.769 7.520 489 H GLN 69 H GLN 69 -3.765 -17.843 8.915 490 HA GLN 69 HA GLN 69 -4.168 -16.403 11.251 491 HB2 GLN 69 1HB GLN 69 -3.728 -18.797 11.257 492 HB3 GLN 69 2HB GLN 69 -2.094 -18.523 10.670 493 HG2 GLN 69 1HG GLN 69 -1.652 -18.791 12.874 494 HG3 GLN 69 2HG GLN 69 -1.935 -17.051 12.854 495 HE21 GLN 69 1HE2 GLN 69 -2.923 -20.060 14.083 496 HE22 GLN 69 2HE2 GLN 69 -4.286 -19.510 14.990 497 H PHE 70 H PHE 70 -1.128 -16.786 9.430 498 HA PHE 70 HA PHE 70 -0.044 -14.476 10.885 499 HB2 PHE 70 1HB PHE 70 2.144 -15.321 9.755 500 HB3 PHE 70 2HB PHE 70 1.495 -16.205 11.132 501 HD1 PHE 70 1HD PHE 70 0.461 -18.382 10.839 502 HD2 PHE 70 2HD PHE 70 2.122 -16.263 7.543 503 HE1 PHE 70 1HE PHE 70 0.415 -20.443 9.496 504 HE2 PHE 70 2HE PHE 70 2.078 -18.320 6.194 505 HZ PHE 70 HZ PHE 70 1.223 -20.414 7.170 506 H THR 71 H THR 71 1.586 -13.188 9.489 507 HA THR 71 HA THR 71 0.435 -12.733 6.815 508 HB THR 71 HB THR 71 1.421 -10.539 8.643 509 HG1 THR 71 1HG THR 71 -0.558 -10.391 9.400 510 HG21 THR 71 1HG2 THR 71 0.530 -9.029 7.034 511 HG22 THR 71 2HG2 THR 71 -0.256 -10.335 6.147 512 HG23 THR 71 3HG2 THR 71 1.502 -10.199 6.142 513 H ARG 72 H ARG 72 2.034 -13.654 5.615 514 HA ARG 72 HA ARG 72 4.750 -12.567 5.967 515 HB2 ARG 72 1HB ARG 72 3.799 -15.305 5.193 516 HB3 ARG 72 2HB ARG 72 5.382 -14.739 4.676 517 HG2 ARG 72 1HG ARG 72 5.954 -14.322 7.052 518 HG3 ARG 72 2HG ARG 72 4.407 -15.040 7.507 519 HD2 ARG 72 1HD ARG 72 5.042 -17.160 6.797 520 HD3 ARG 72 2HD ARG 72 6.321 -16.535 5.758 521 HE ARG 72 HE ARG 72 6.706 -16.076 8.585 522 HH11 ARG 72 1HH1 ARG 72 7.288 -18.182 5.875 523 HH12 ARG 72 2HH1 ARG 72 8.664 -18.947 6.598 524 HH21 ARG 72 1HH2 ARG 72 8.517 -17.075 9.548 525 HH22 ARG 72 2HH2 ARG 72 9.362 -18.317 8.688 526 H VAL 73 H VAL 73 4.427 -10.823 4.571 527 HA VAL 73 HA VAL 73 4.236 -11.568 1.728 528 HB VAL 73 HB VAL 73 3.040 -9.093 2.983 529 HG11 VAL 73 1HG1 VAL 73 2.143 -8.655 0.744 530 HG12 VAL 73 2HG1 VAL 73 3.908 -8.665 0.749 531 HG13 VAL 73 3HG1 VAL 73 3.019 -10.054 0.124 532 HG21 VAL 73 1HG2 VAL 73 1.147 -10.687 1.581 533 HG22 VAL 73 2HG2 VAL 73 2.004 -11.719 2.725 534 HG23 VAL 73 3HG2 VAL 73 1.180 -10.267 3.293 535 H GLY 74 H GLY 74 5.418 -10.257 0.266 536 HA2 GLY 74 1HA GLY 74 7.565 -8.706 1.575 537 HA3 GLY 74 2HA GLY 74 7.793 -9.656 0.115 538 H VAL 75 H VAL 75 6.098 -6.835 1.419 539 HA VAL 75 HA VAL 75 5.448 -5.818 -1.193 540 HB VAL 75 HB VAL 75 5.319 -4.435 1.491 541 HG11 VAL 75 1HG1 VAL 75 4.680 -2.595 0.424 542 HG12 VAL 75 2HG1 VAL 75 5.091 -3.382 -1.101 543 HG13 VAL 75 3HG1 VAL 75 3.448 -3.488 -0.467 544 HG21 VAL 75 1HG2 VAL 75 2.961 -5.522 0.006 545 HG22 VAL 75 2HG2 VAL 75 3.924 -6.580 1.037 546 HG23 VAL 75 3HG2 VAL 75 3.133 -5.161 1.724 547 H GLN 76 H GLN 76 6.539 -4.368 -2.394 548 HA GLN 76 HA GLN 76 8.772 -2.903 -1.210 549 HB2 GLN 76 1HB GLN 76 9.613 -5.072 -2.202 550 HB3 GLN 76 2HB GLN 76 9.102 -4.464 -3.772 551 HG2 GLN 76 1HG GLN 76 11.415 -4.036 -3.590 552 HG3 GLN 76 2HG GLN 76 10.594 -2.489 -3.387 553 HE21 GLN 76 1HE2 GLN 76 10.328 -1.693 -1.205 554 HE22 GLN 76 2HE2 GLN 76 11.506 -2.092 -0.006 555 H VAL 77 H VAL 77 8.733 -0.848 -1.828 556 HA VAL 77 HA VAL 77 6.992 -0.068 -4.035 557 HB VAL 77 HB VAL 77 7.230 2.209 -3.214 558 HG11 VAL 77 1HG1 VAL 77 5.522 1.591 -1.927 559 HG12 VAL 77 2HG1 VAL 77 6.234 0.004 -1.626 560 HG13 VAL 77 3HG1 VAL 77 6.687 1.381 -0.620 561 HG21 VAL 77 1HG2 VAL 77 9.369 2.513 -2.437 562 HG22 VAL 77 2HG2 VAL 77 8.490 2.365 -0.916 563 HG23 VAL 77 3HG2 VAL 77 9.385 0.986 -1.556 564 H LEU 78 H LEU 78 7.968 -0.206 -5.966 565 HA LEU 78 HA LEU 78 10.731 0.742 -6.235 566 HB2 LEU 78 1HB LEU 78 9.018 -1.161 -7.730 567 HB3 LEU 78 2HB LEU 78 10.222 -0.260 -8.649 568 HG LEU 78 HG LEU 78 10.851 -1.987 -6.257 569 HD11 LEU 78 1HD1 LEU 78 11.147 -2.604 -9.193 570 HD12 LEU 78 2HD1 LEU 78 9.972 -3.333 -8.099 571 HD13 LEU 78 3HD1 LEU 78 11.696 -3.614 -7.856 572 HD21 LEU 78 1HD2 LEU 78 13.140 -1.798 -7.603 573 HD22 LEU 78 2HD2 LEU 78 12.668 -0.630 -6.368 574 HD23 LEU 78 3HD2 LEU 78 12.425 -0.256 -8.075 575 H ASP 79 H ASP 79 11.224 2.551 -7.317 576 HA ASP 79 HA ASP 79 9.131 4.327 -8.118 577 HB2 ASP 79 1HB ASP 79 11.010 5.389 -7.181 578 HB3 ASP 79 2HB ASP 79 12.136 4.470 -8.177 579 H ARG 80 H ARG 80 8.138 4.361 -10.013 580 HA ARG 80 HA ARG 80 9.390 3.024 -12.300 581 HB2 ARG 80 1HB ARG 80 6.535 3.874 -11.791 582 HB3 ARG 80 2HB ARG 80 7.095 3.161 -13.298 583 HG2 ARG 80 1HG ARG 80 7.529 1.742 -10.704 584 HG3 ARG 80 2HG ARG 80 5.969 1.661 -11.525 585 HD2 ARG 80 1HD ARG 80 8.624 0.922 -12.752 586 HD3 ARG 80 2HD ARG 80 7.454 -0.225 -12.100 587 HE ARG 80 HE ARG 80 6.105 1.300 -13.973 588 HH11 ARG 80 1HH1 ARG 80 8.808 -0.893 -13.912 589 HH12 ARG 80 2HH1 ARG 80 8.567 -1.443 -15.537 590 HH21 ARG 80 1HH2 ARG 80 5.777 0.584 -16.114 591 HH22 ARG 80 2HH2 ARG 80 6.842 -0.602 -16.789 592 H LYS 81 H LYS 81 7.869 6.078 -11.365 593 HA LYS 81 HA LYS 81 9.191 7.346 -13.668 594 HB2 LYS 81 1HB LYS 81 6.384 7.829 -12.665 595 HB3 LYS 81 2HB LYS 81 7.214 8.907 -13.779 596 HG2 LYS 81 1HG LYS 81 6.967 6.010 -14.444 597 HG3 LYS 81 2HG LYS 81 5.588 7.087 -14.678 598 HD2 LYS 81 1HD LYS 81 6.997 8.548 -16.075 599 HD3 LYS 81 2HD LYS 81 8.341 7.421 -15.873 600 HE2 LYS 81 1HE LYS 81 7.351 6.929 -17.969 601 HE3 LYS 81 2HE LYS 81 6.855 5.647 -16.865 602 HZ1 LYS 81 1HZ LYS 81 5.139 6.852 -18.416 603 HZ2 LYS 81 2HZ LYS 81 5.103 7.975 -17.151 604 HZ3 LYS 81 3HZ LYS 81 4.708 6.357 -16.857 605 H ASP 82 H ASP 82 8.795 9.925 -13.261 606 HA ASP 82 HA ASP 82 10.586 10.692 -11.324 607 HB2 ASP 82 1HB ASP 82 8.272 12.272 -12.464 608 HB3 ASP 82 2HB ASP 82 9.591 12.974 -11.530 609 H GLY 83 H GLY 83 7.066 11.240 -11.046 610 HA2 GLY 83 1HA GLY 83 7.389 11.010 -8.118 611 HA3 GLY 83 2HA GLY 83 6.201 12.044 -8.899 612 H SER 84 H SER 84 7.091 8.643 -9.445 613 HA SER 84 HA SER 84 4.399 7.849 -8.598 614 HB2 SER 84 1HB SER 84 5.618 6.742 -11.124 615 HB3 SER 84 2HB SER 84 3.950 6.612 -10.566 616 HG SER 84 HG SER 84 4.020 8.180 -12.142 617 H PHE 85 H PHE 85 4.197 5.596 -8.070 618 HA PHE 85 HA PHE 85 6.653 4.048 -7.864 619 HB2 PHE 85 1HB PHE 85 5.078 5.038 -5.497 620 HB3 PHE 85 2HB PHE 85 6.046 3.571 -5.402 621 HD1 PHE 85 1HD PHE 85 8.461 3.665 -5.469 622 HD2 PHE 85 2HD PHE 85 6.116 7.210 -5.689 623 HE1 PHE 85 1HE PHE 85 10.462 5.014 -4.989 624 HE2 PHE 85 2HE PHE 85 8.113 8.565 -5.211 625 HZ PHE 85 HZ PHE 85 10.290 7.467 -4.861 626 H ILE 86 H ILE 86 6.288 1.809 -7.362 627 HA ILE 86 HA ILE 86 3.502 0.953 -7.797 628 HB ILE 86 HB ILE 86 5.196 0.613 -9.729 629 HG12 ILE 86 1HG1 ILE 86 4.214 -1.814 -10.016 630 HG13 ILE 86 2HG1 ILE 86 3.279 -1.383 -8.587 631 HG21 ILE 86 1HG2 ILE 86 6.643 -1.242 -9.623 632 HG22 ILE 86 2HG2 ILE 86 6.911 -0.350 -8.126 633 HG23 ILE 86 3HG2 ILE 86 5.928 -1.814 -8.116 634 HD11 ILE 86 1HD1 ILE 86 3.141 0.749 -10.475 635 HD12 ILE 86 2HD1 ILE 86 2.729 -0.772 -11.269 636 HD13 ILE 86 3HD1 ILE 86 1.845 -0.259 -9.832 637 H VAL 87 H VAL 87 2.695 -0.477 -6.388 638 HA VAL 87 HA VAL 87 4.510 -1.547 -4.341 639 HB VAL 87 HB VAL 87 1.496 -1.361 -4.250 640 HG11 VAL 87 1HG1 VAL 87 3.035 -1.521 -1.761 641 HG12 VAL 87 2HG1 VAL 87 1.559 -2.362 -2.242 642 HG13 VAL 87 3HG1 VAL 87 3.131 -2.963 -2.772 643 HG21 VAL 87 1HG2 VAL 87 2.153 0.864 -4.222 644 HG22 VAL 87 2HG2 VAL 87 2.100 0.457 -2.507 645 HG23 VAL 87 3HG2 VAL 87 3.647 0.518 -3.351 646 H ARG 88 H ARG 88 5.273 -3.424 -5.222 647 HA ARG 88 HA ARG 88 3.315 -5.383 -6.194 648 HB2 ARG 88 1HB ARG 88 5.258 -6.572 -7.137 649 HB3 ARG 88 2HB ARG 88 5.143 -4.920 -7.729 650 HG2 ARG 88 1HG ARG 88 6.992 -4.222 -6.529 651 HG3 ARG 88 2HG ARG 88 6.874 -5.555 -5.379 652 HD2 ARG 88 1HD ARG 88 7.534 -7.122 -7.150 653 HD3 ARG 88 2HD ARG 88 7.674 -5.776 -8.279 654 HE ARG 88 HE ARG 88 9.283 -5.367 -5.971 655 HH11 ARG 88 1HH1 ARG 88 9.129 -7.112 -8.980 656 HH12 ARG 88 2HH1 ARG 88 10.849 -7.246 -9.141 657 HH21 ARG 88 1HH2 ARG 88 11.549 -5.537 -6.172 658 HH22 ARG 88 2HH2 ARG 88 12.224 -6.351 -7.543 659 H TYR 89 H TYR 89 3.046 -7.348 -5.238 660 HA TYR 89 HA TYR 89 4.708 -7.968 -2.893 661 HB2 TYR 89 1HB TYR 89 2.875 -8.375 -1.508 662 HB3 TYR 89 2HB TYR 89 2.386 -6.930 -2.385 663 HD1 TYR 89 1HD TYR 89 0.990 -7.356 -4.564 664 HD2 TYR 89 2HD TYR 89 1.422 -10.176 -1.408 665 HE1 TYR 89 1HE TYR 89 -1.057 -8.497 -5.311 666 HE2 TYR 89 2HE TYR 89 -0.623 -11.326 -2.146 667 HH TYR 89 HH TYR 89 -1.899 -11.525 -4.432 668 H ARG 90 H ARG 90 4.797 -10.203 -2.324 669 HA ARG 90 HA ARG 90 4.263 -11.965 -4.615 670 HB2 ARG 90 1HB ARG 90 6.631 -11.691 -3.789 671 HB3 ARG 90 2HB ARG 90 6.131 -12.482 -2.300 672 HG2 ARG 90 1HG ARG 90 5.798 -14.529 -3.353 673 HG3 ARG 90 2HG ARG 90 5.710 -13.796 -4.956 674 HD2 ARG 90 1HD ARG 90 8.216 -13.645 -3.317 675 HD3 ARG 90 2HD ARG 90 7.851 -15.071 -4.288 676 HE ARG 90 HE ARG 90 7.565 -12.864 -5.945 677 HH11 ARG 90 1HH1 ARG 90 10.088 -14.431 -4.129 678 HH12 ARG 90 2HH1 ARG 90 11.350 -13.942 -5.211 679 HH21 ARG 90 1HH2 ARG 90 9.218 -12.214 -7.377 680 HH22 ARG 90 2HH2 ARG 90 10.854 -12.680 -7.057 681 H MET 91 H MET 91 3.556 -14.156 -4.186 682 HA MET 91 HA MET 91 2.466 -14.788 -1.593 683 HB2 MET 91 1HB MET 91 0.651 -13.431 -2.361 684 HB3 MET 91 2HB MET 91 0.661 -14.203 -3.940 685 HG2 MET 91 1HG MET 91 -1.199 -15.046 -2.737 686 HG3 MET 91 2HG MET 91 0.005 -16.330 -2.827 687 HE1 MET 91 1HE MET 91 -2.005 -13.958 -1.013 688 HE2 MET 91 2HE MET 91 -1.980 -14.485 0.670 689 HE3 MET 91 3HE MET 91 -0.796 -13.309 0.096 690 H TYR 92 H TYR 92 1.657 -16.972 -1.467 691 HA TYR 92 HA TYR 92 2.755 -18.676 -3.601 692 HB2 TYR 92 1HB TYR 92 2.196 -19.547 -0.769 693 HB3 TYR 92 2HB TYR 92 3.202 -20.345 -1.973 694 HD1 TYR 92 2HD TYR 92 5.245 -18.897 -2.828 695 HD2 TYR 92 1HD TYR 92 3.230 -18.289 0.870 696 HE1 TYR 92 2HE TYR 92 7.228 -17.740 -1.944 697 HE2 TYR 92 1HE TYR 92 5.207 -17.129 1.763 698 HH TYR 92 HH TYR 92 7.394 -16.685 1.418 699 H ALA 93 H ALA 93 0.248 -18.891 -1.069 700 HA ALA 93 HA ALA 93 -1.886 -19.310 -2.857 701 HB1 ALA 93 1HB ALA 93 -1.860 -21.483 -3.307 702 HB2 ALA 93 2HB ALA 93 -0.275 -21.583 -2.540 703 HB3 ALA 93 3HB ALA 93 -1.732 -21.880 -1.593 704 H SER 94 H SER 94 -3.765 -20.530 -1.567 705 HA SER 94 HA SER 94 -5.232 -20.422 0.168 706 HB2 SER 94 1HB SER 94 -2.598 -20.506 1.597 707 HB3 SER 94 2HB SER 94 -4.078 -20.233 2.516 708 HG SER 94 HG SER 94 -3.356 -22.494 2.204 709 H TYR 95 H TYR 95 -4.885 -18.086 -1.204 710 HA TYR 95 HA TYR 95 -5.155 -16.074 0.928 711 HB2 TYR 95 1HB TYR 95 -3.947 -14.474 -0.271 712 HB3 TYR 95 2HB TYR 95 -3.021 -15.947 -0.534 713 HD1 TYR 95 2HD TYR 95 -3.646 -17.291 -2.702 714 HD2 TYR 95 1HD TYR 95 -4.532 -13.173 -2.096 715 HE1 TYR 95 2HE TYR 95 -3.833 -16.978 -5.135 716 HE2 TYR 95 1HE TYR 95 -4.722 -12.850 -4.527 717 HH TYR 95 HH TYR 95 -4.054 -13.852 -6.575 718 H LYS 96 H LYS 96 -7.184 -15.402 1.007 719 HA LYS 96 HA LYS 96 -8.768 -15.357 -1.470 720 HB2 LYS 96 1HB LYS 96 -9.426 -16.649 0.747 721 HB3 LYS 96 2HB LYS 96 -10.021 -15.064 1.224 722 HG2 LYS 96 1HG LYS 96 -11.865 -16.163 0.292 723 HG3 LYS 96 2HG LYS 96 -11.308 -15.054 -0.964 724 HD2 LYS 96 1HD LYS 96 -11.623 -16.993 -2.171 725 HD3 LYS 96 2HD LYS 96 -9.911 -17.113 -1.759 726 HE2 LYS 96 1HE LYS 96 -10.708 -18.424 0.300 727 HE3 LYS 96 2HE LYS 96 -12.244 -18.566 -0.554 728 HZ1 LYS 96 1HZ LYS 96 -9.852 -19.269 -2.056 729 HZ2 LYS 96 2HZ LYS 96 -11.381 -19.992 -2.055 730 HZ3 LYS 96 3HZ LYS 96 -10.288 -20.325 -0.808 731 H ASN 97 H ASN 97 -8.333 -13.509 1.549 732 HA ASN 97 HA ASN 97 -8.918 -11.063 0.012 733 HB2 ASN 97 1HB ASN 97 -9.723 -10.160 2.288 734 HB3 ASN 97 2HB ASN 97 -10.779 -11.278 1.429 735 HD21 ASN 97 1HD2 ASN 97 -11.831 -12.016 3.224 736 HD22 ASN 97 2HD2 ASN 97 -11.072 -12.986 4.436 737 H LEU 98 H LEU 98 -7.850 -9.129 0.744 738 HA LEU 98 HA LEU 98 -5.557 -9.516 2.515 739 HB2 LEU 98 1HB LEU 98 -5.334 -8.331 -0.247 740 HB3 LEU 98 2HB LEU 98 -4.035 -8.458 0.938 741 HG LEU 98 HG LEU 98 -5.426 -10.863 -0.223 742 HD11 LEU 98 1HD1 LEU 98 -2.974 -9.418 -1.208 743 HD12 LEU 98 2HD1 LEU 98 -4.474 -9.711 -2.088 744 HD13 LEU 98 3HD1 LEU 98 -3.414 -11.060 -1.679 745 HD21 LEU 98 1HD2 LEU 98 -2.764 -10.516 1.153 746 HD22 LEU 98 2HD2 LEU 98 -3.435 -12.031 0.548 747 HD23 LEU 98 3HD2 LEU 98 -4.221 -11.190 1.885 748 H LYS 99 H LYS 99 -4.999 -7.732 3.678 749 HA LYS 99 HA LYS 99 -6.766 -5.411 3.397 750 HB2 LYS 99 1HB LYS 99 -6.512 -6.668 5.598 751 HB3 LYS 99 2HB LYS 99 -4.890 -5.995 5.686 752 HG2 LYS 99 1HG LYS 99 -6.001 -3.715 5.451 753 HG3 LYS 99 2HG LYS 99 -7.517 -4.553 5.789 754 HD2 LYS 99 1HD LYS 99 -5.157 -4.906 7.597 755 HD3 LYS 99 2HD LYS 99 -6.188 -3.481 7.745 756 HE2 LYS 99 1HE LYS 99 -8.092 -5.330 7.701 757 HE3 LYS 99 2HE LYS 99 -6.782 -6.336 8.316 758 HZ1 LYS 99 1HZ LYS 99 -6.974 -5.410 10.305 759 HZ2 LYS 99 2HZ LYS 99 -8.370 -4.620 9.767 760 HZ3 LYS 99 3HZ LYS 99 -6.870 -3.844 9.672 761 H VAL 100 H VAL 100 -6.010 -3.741 2.289 762 HA VAL 100 HA VAL 100 -3.149 -3.370 1.942 763 HB VAL 100 HB VAL 100 -5.367 -1.656 0.826 764 HG11 VAL 100 1HG1 VAL 100 -3.695 -0.437 0.022 765 HG12 VAL 100 2HG1 VAL 100 -2.509 -1.547 0.713 766 HG13 VAL 100 3HG1 VAL 100 -3.154 -1.838 -0.903 767 HG21 VAL 100 1HG2 VAL 100 -4.354 -4.316 -0.010 768 HG22 VAL 100 2HG2 VAL 100 -5.970 -3.624 -0.152 769 HG23 VAL 100 3HG2 VAL 100 -4.700 -3.137 -1.275 770 H GLU 101 H GLU 101 -1.970 -1.625 2.648 771 HA GLU 101 HA GLU 101 -3.314 0.431 4.230 772 HB2 GLU 101 1HB GLU 101 -1.394 -1.593 5.267 773 HB3 GLU 101 2HB GLU 101 -1.242 0.053 5.866 774 HG2 GLU 101 1HG GLU 101 -3.694 -0.056 6.439 775 HG3 GLU 101 2HG GLU 101 -3.608 -1.782 6.091 776 H ILE 102 H ILE 102 -2.389 2.405 4.070 777 HA ILE 102 HA ILE 102 0.315 2.622 2.970 778 HB ILE 102 HB ILE 102 -1.975 4.238 1.857 779 HG12 ILE 102 1HG1 ILE 102 -1.276 2.742 -0.233 780 HG13 ILE 102 2HG1 ILE 102 -0.838 1.606 1.038 781 HG21 ILE 102 1HG2 ILE 102 0.542 4.981 1.868 782 HG22 ILE 102 2HG2 ILE 102 0.656 3.856 0.516 783 HG23 ILE 102 3HG2 ILE 102 -0.463 5.217 0.439 784 HD11 ILE 102 1HD1 ILE 102 -3.244 1.657 -0.061 785 HD12 ILE 102 2HD1 ILE 102 -2.991 1.234 1.633 786 HD13 ILE 102 3HD1 ILE 102 -3.511 2.862 1.198 787 H LYS 103 H LYS 103 1.489 4.128 3.969 788 HA LYS 103 HA LYS 103 0.193 6.433 5.193 789 HB2 LYS 103 1HB LYS 103 1.819 4.404 6.726 790 HB3 LYS 103 2HB LYS 103 1.519 6.033 7.318 791 HG2 LYS 103 1HG LYS 103 -0.947 5.522 7.082 792 HG3 LYS 103 2HG LYS 103 -0.474 3.840 6.835 793 HD2 LYS 103 1HD LYS 103 0.574 5.330 9.202 794 HD3 LYS 103 2HD LYS 103 -1.078 4.708 9.229 795 HE2 LYS 103 1HE LYS 103 0.059 2.928 10.121 796 HE3 LYS 103 2HE LYS 103 0.077 2.499 8.411 797 HZ1 LYS 103 1HZ LYS 103 2.307 3.927 8.573 798 HZ2 LYS 103 2HZ LYS 103 2.264 2.254 8.817 799 HZ3 LYS 103 3HZ LYS 103 2.267 3.303 10.145 800 H PHE 104 H PHE 104 1.692 8.123 5.784 801 HA PHE 104 HA PHE 104 4.379 7.842 4.638 802 HB2 PHE 104 1HB PHE 104 3.465 8.979 2.857 803 HB3 PHE 104 2HB PHE 104 2.255 9.781 3.853 804 HD1 PHE 104 1HD PHE 104 5.847 9.775 2.968 805 HD2 PHE 104 2HD PHE 104 2.608 11.947 4.672 806 HE1 PHE 104 1HE PHE 104 7.233 11.809 3.001 807 HE2 PHE 104 2HE PHE 104 3.987 13.984 4.708 808 HZ PHE 104 HZ PHE 104 6.303 13.917 3.871 809 H GLN 105 H GLN 105 5.661 8.103 6.349 810 HA GLN 105 HA GLN 105 6.647 8.997 8.193 811 HB2 GLN 105 1HB GLN 105 5.239 11.504 7.259 812 HB3 GLN 105 2HB GLN 105 6.513 11.451 8.470 813 HG2 GLN 105 1HG GLN 105 6.964 10.373 5.716 814 HG3 GLN 105 2HG GLN 105 7.116 12.096 6.059 815 HE21 GLN 105 1HE2 GLN 105 9.106 10.055 5.260 816 HE22 GLN 105 2HE2 GLN 105 10.349 10.140 6.456 817 H GLY 106 H GLY 106 3.889 7.865 8.322 818 HA2 GLY 106 1HA GLY 106 2.703 7.343 10.295 819 HA3 GLY 106 2HA GLY 106 3.289 8.836 11.015 820 H GLN 107 H GLN 107 1.953 8.879 7.815 821 HA GLN 107 HA GLN 107 -0.606 9.877 8.845 822 HB2 GLN 107 1HB GLN 107 1.135 11.272 6.808 823 HB3 GLN 107 2HB GLN 107 -0.531 11.713 7.157 824 HG2 GLN 107 1HG GLN 107 0.005 12.427 9.334 825 HG3 GLN 107 2HG GLN 107 1.596 11.669 9.272 826 HE21 GLN 107 1HE2 GLN 107 3.119 13.144 9.206 827 HE22 GLN 107 2HE2 GLN 107 3.084 14.611 8.295 828 H HIS 108 H HIS 108 -2.175 8.714 7.970 829 HA HIS 108 HA HIS 108 -1.856 6.936 5.836 830 HB2 HIS 108 1HB HIS 108 -4.251 8.101 7.220 831 HB3 HIS 108 2HB HIS 108 -4.460 7.080 5.800 832 HD1 HIS 108 1HD HIS 108 -4.373 4.605 6.161 833 HD2 HIS 108 2HD HIS 108 -2.956 6.737 9.433 834 HE1 HIS 108 1HE HIS 108 -4.023 2.899 7.975 835 HE2 HIS 108 2HE HIS 108 -3.247 4.224 9.971 836 H VAL 109 H VAL 109 -2.167 7.070 3.675 837 HA VAL 109 HA VAL 109 -2.441 9.743 2.548 838 HB VAL 109 HB VAL 109 -1.653 7.097 1.338 839 HG11 VAL 109 1HG1 VAL 109 -2.606 9.557 0.041 840 HG12 VAL 109 2HG1 VAL 109 -1.098 8.902 -0.602 841 HG13 VAL 109 3HG1 VAL 109 -2.551 7.901 -0.563 842 HG21 VAL 109 1HG2 VAL 109 -0.247 9.446 2.382 843 HG22 VAL 109 2HG2 VAL 109 0.312 7.786 2.181 844 HG23 VAL 109 3HG2 VAL 109 0.326 8.893 0.808 845 H ALA 110 H ALA 110 -3.914 6.529 2.118 846 HA ALA 110 HA ALA 110 -6.263 7.860 0.936 847 HB1 ALA 110 1HB ALA 110 -4.750 5.551 0.115 848 HB2 ALA 110 2HB ALA 110 -6.444 5.133 0.373 849 HB3 ALA 110 3HB ALA 110 -6.016 6.428 -0.745 850 H LYS 111 H LYS 111 -8.193 6.055 1.146 851 HA LYS 111 HA LYS 111 -8.852 6.117 3.930 852 HB2 LYS 111 1HB LYS 111 -10.223 5.281 1.419 853 HB3 LYS 111 2HB LYS 111 -10.843 4.654 2.940 854 HG2 LYS 111 1HG LYS 111 -10.363 7.584 2.609 855 HG3 LYS 111 2HG LYS 111 -11.825 6.837 1.961 856 HD2 LYS 111 1HD LYS 111 -11.922 5.791 4.394 857 HD3 LYS 111 2HD LYS 111 -10.974 7.228 4.783 858 HE2 LYS 111 1HE LYS 111 -12.796 8.504 3.475 859 HE3 LYS 111 2HE LYS 111 -13.756 7.040 3.681 860 HZ1 LYS 111 1HZ LYS 111 -12.521 7.930 6.113 861 HZ2 LYS 111 2HZ LYS 111 -14.133 7.517 5.810 862 HZ3 LYS 111 3HZ LYS 111 -13.580 9.078 5.462 863 H SER 112 H SER 112 -6.745 4.742 4.233 864 HA SER 112 HA SER 112 -7.375 1.880 4.062 865 HB2 SER 112 1HB SER 112 -4.855 3.454 4.133 866 HB3 SER 112 2HB SER 112 -4.831 1.878 4.923 867 HG SER 112 HG SER 112 -5.371 2.488 2.218 868 HA PRO 113 HA PRO 113 -5.850 0.182 5.070 869 HB2 PRO 113 1HB PRO 113 -6.968 -1.968 6.294 870 HB3 PRO 113 2HB PRO 113 -5.475 -1.210 6.859 871 HG2 PRO 113 1HG PRO 113 -8.272 -0.875 7.874 872 HG3 PRO 113 2HG PRO 113 -6.764 -1.057 8.789 873 HD2 PRO 113 1HD PRO 113 -7.947 1.346 8.394 874 HD3 PRO 113 2HD PRO 113 -6.186 1.158 8.521 875 H TYR 114 H TYR 114 -6.899 -1.542 3.748 876 HA TYR 114 HA TYR 114 -9.661 -0.766 3.086 877 HB2 TYR 114 1HB TYR 114 -7.337 -1.629 1.415 878 HB3 TYR 114 2HB TYR 114 -8.966 -1.982 0.851 879 HD1 TYR 114 1HD TYR 114 -10.483 -0.178 0.218 880 HD2 TYR 114 2HD TYR 114 -6.508 0.643 1.494 881 HE1 TYR 114 1HE TYR 114 -10.670 2.102 -0.686 882 HE2 TYR 114 2HE TYR 114 -6.685 2.925 0.595 883 HH TYR 114 HH TYR 114 -8.771 4.560 0.118 884 H ILE 115 H ILE 115 -11.220 -2.215 3.367 885 HA ILE 115 HA ILE 115 -10.451 -5.033 3.751 886 HB ILE 115 HB ILE 115 -13.011 -3.833 4.768 887 HG12 ILE 115 1HG1 ILE 115 -11.213 -2.490 5.720 888 HG13 ILE 115 2HG1 ILE 115 -11.897 -3.540 6.956 889 HG21 ILE 115 1HG2 ILE 115 -12.460 -6.369 4.570 890 HG22 ILE 115 2HG2 ILE 115 -11.485 -6.078 6.009 891 HG23 ILE 115 3HG2 ILE 115 -13.217 -5.748 6.036 892 HD11 ILE 115 1HD1 ILE 115 -9.709 -4.858 5.666 893 HD12 ILE 115 2HD1 ILE 115 -9.212 -3.263 6.231 894 HD13 ILE 115 3HD1 ILE 115 -9.913 -4.420 7.362 895 H LEU 116 H LEU 116 -10.863 -6.157 1.962 896 HA LEU 116 HA LEU 116 -13.491 -5.814 0.687 897 HB2 LEU 116 1HB LEU 116 -10.957 -6.415 -0.821 898 HB3 LEU 116 2HB LEU 116 -12.548 -6.055 -1.489 899 HG LEU 116 HG LEU 116 -12.262 -3.745 -0.403 900 HD11 LEU 116 1HD1 LEU 116 -10.459 -3.571 0.904 901 HD12 LEU 116 2HD1 LEU 116 -9.550 -3.429 -0.600 902 HD13 LEU 116 3HD1 LEU 116 -9.695 -4.995 0.197 903 HD21 LEU 116 1HD2 LEU 116 -10.439 -4.502 -2.683 904 HD22 LEU 116 2HD2 LEU 116 -11.105 -2.904 -2.345 905 HD23 LEU 116 3HD2 LEU 116 -12.174 -4.221 -2.827 906 H LYS 117 H LYS 117 -14.618 -7.627 0.808 907 HA LYS 117 HA LYS 117 -13.221 -10.195 0.524 908 HB2 LYS 117 1HB LYS 117 -14.686 -11.156 2.285 909 HB3 LYS 117 2HB LYS 117 -13.579 -9.934 2.897 910 HG2 LYS 117 1HG LYS 117 -16.312 -9.088 2.091 911 HG3 LYS 117 2HG LYS 117 -16.109 -9.974 3.605 912 HD2 LYS 117 1HD LYS 117 -14.595 -8.323 4.446 913 HD3 LYS 117 2HD LYS 117 -14.532 -7.508 2.881 914 HE2 LYS 117 1HE LYS 117 -15.987 -6.418 4.626 915 HE3 LYS 117 2HE LYS 117 -16.768 -6.755 3.083 916 HZ1 LYS 117 1HZ LYS 117 -16.950 -8.723 5.259 917 HZ2 LYS 117 2HZ LYS 117 -18.021 -8.438 3.982 918 HZ3 LYS 117 3HZ LYS 117 -17.955 -7.362 5.285 919 H GLY 118 H GLY 118 -15.232 -8.259 -0.937 920 HA2 GLY 118 1HA GLY 118 -17.249 -10.312 -1.578 921 HA3 GLY 118 2HA GLY 118 -17.458 -8.585 -1.825 922 H SER 119 H SER 119 -17.829 -10.704 -3.753 923 HA SER 119 HA SER 119 -15.874 -9.803 -5.756 924 HB2 SER 119 1HB SER 119 -16.697 -12.615 -5.097 925 HB3 SER 119 2HB SER 119 -16.192 -12.203 -6.735 926 HG SER 119 HG SER 119 -14.620 -11.503 -4.500 927 H GLY 120 H GLY 120 -17.297 -8.374 -6.705 928 HA2 GLY 120 1HA GLY 120 -18.668 -8.296 -8.722 929 HA3 GLY 120 2HA GLY 120 -19.600 -9.631 -8.060 930 HA PRO 121 HA PRO 121 -21.623 -5.483 -7.116 931 HB2 PRO 121 1HB PRO 121 -23.903 -5.920 -8.523 932 HB3 PRO 121 2HB PRO 121 -22.466 -5.173 -9.231 933 HG2 PRO 121 1HG PRO 121 -23.412 -8.008 -9.410 934 HG3 PRO 121 2HG PRO 121 -22.748 -6.967 -10.683 935 HD2 PRO 121 1HD PRO 121 -21.267 -8.851 -9.423 936 HD3 PRO 121 2HD PRO 121 -20.571 -7.332 -10.021 937 H SER 122 H SER 122 -23.889 -5.226 -6.174 938 HA SER 122 HA SER 122 -24.282 -7.331 -4.236 939 HB2 SER 122 1HB SER 122 -25.390 -4.567 -4.618 940 HB3 SER 122 2HB SER 122 -26.174 -5.684 -3.502 941 HG SER 122 HG SER 122 -23.403 -5.114 -3.407 942 H SER 123 H SER 123 -26.736 -7.731 -3.673 943 HA SER 123 HA SER 123 -28.030 -8.579 -6.179 944 HB2 SER 123 1HB SER 123 -27.212 -10.273 -4.333 945 HB3 SER 123 2HB SER 123 -28.713 -9.806 -3.534 946 HG SER 123 HG SER 123 -28.344 -11.093 -6.013 947 H GLY 124 H GLY 124 -30.376 -8.583 -6.223 948 HA2 GLY 124 1HA GLY 124 -32.491 -7.879 -5.400 949 HA3 GLY 124 2HA GLY 124 -31.666 -6.825 -4.261 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -8.428 21.653 -2.085 2 HA2 GLY 1 1HA GLY 1 -10.477 22.096 -0.253 3 HA3 GLY 1 2HA GLY 1 -9.943 20.437 -0.024 4 H SER 2 H SER 2 -9.316 23.719 0.626 5 HA SER 2 HA SER 2 -7.025 22.963 2.265 6 HB2 SER 2 1HB SER 2 -6.165 23.758 0.025 7 HB3 SER 2 2HB SER 2 -6.863 25.334 0.396 8 HG SER 2 HG SER 2 -5.301 25.707 1.767 9 H SER 3 H SER 3 -6.977 24.005 4.172 10 HA SER 3 HA SER 3 -9.183 25.481 5.055 11 HB2 SER 3 1HB SER 3 -6.419 25.480 6.286 12 HB3 SER 3 2HB SER 3 -7.941 25.837 7.102 13 HG SER 3 HG SER 3 -7.992 23.783 7.509 14 H GLY 4 H GLY 4 -9.417 27.678 5.619 15 HA2 GLY 4 1HA GLY 4 -8.202 29.485 3.749 16 HA3 GLY 4 2HA GLY 4 -9.375 29.900 4.990 17 H SER 5 H SER 5 -5.981 28.836 4.735 18 HA SER 5 HA SER 5 -4.996 31.113 6.113 19 HB2 SER 5 1HB SER 5 -4.191 29.953 8.156 20 HB3 SER 5 2HB SER 5 -5.951 30.024 8.071 21 HG SER 5 HG SER 5 -4.511 27.792 7.115 22 H SER 6 H SER 6 -3.150 31.411 5.073 23 HA SER 6 HA SER 6 -1.793 29.782 3.419 24 HB2 SER 6 1HB SER 6 0.282 31.078 3.991 25 HB3 SER 6 2HB SER 6 -1.128 32.085 3.664 26 HG SER 6 HG SER 6 -1.415 32.028 6.044 27 H GLY 7 H GLY 7 -0.962 30.115 6.876 28 HA2 GLY 7 1HA GLY 7 -0.467 28.288 8.303 29 HA3 GLY 7 2HA GLY 7 -0.150 27.300 6.884 30 H GLU 8 H GLU 8 1.112 30.343 8.258 31 HA GLU 8 HA GLU 8 3.245 31.141 8.416 32 HB2 GLU 8 1HB GLU 8 3.622 28.249 9.193 33 HB3 GLU 8 2HB GLU 8 4.890 29.457 9.346 34 HG2 GLU 8 1HG GLU 8 3.923 29.300 11.469 35 HG3 GLU 8 2HG GLU 8 3.268 30.780 10.769 36 H THR 9 H THR 9 2.509 30.528 5.789 37 HA THR 9 HA THR 9 4.331 28.927 4.383 38 HB THR 9 HB THR 9 3.709 30.300 2.390 39 HG1 THR 9 1HG THR 9 2.191 31.753 4.319 40 HG21 THR 9 1HG2 THR 9 2.325 28.420 2.905 41 HG22 THR 9 2HG2 THR 9 1.257 29.763 2.500 42 HG23 THR 9 3HG2 THR 9 1.500 29.307 4.186 43 H GLY 10 H GLY 10 6.025 29.666 2.884 44 HA2 GLY 10 1HA GLY 10 7.354 31.878 2.492 45 HA3 GLY 10 2HA GLY 10 7.704 31.679 4.203 46 H GLY 11 H GLY 11 7.476 29.177 1.703 47 HA2 GLY 11 1HA GLY 11 10.334 28.876 1.525 48 HA3 GLY 11 2HA GLY 11 9.567 27.619 2.484 49 H GLU 12 H GLU 12 9.165 25.829 1.389 50 HA GLU 12 HA GLU 12 8.639 26.045 -1.501 51 HB2 GLU 12 1HB GLU 12 10.059 23.977 0.140 52 HB3 GLU 12 2HB GLU 12 9.326 23.527 -1.393 53 HG2 GLU 12 1HG GLU 12 11.115 25.896 -1.334 54 HG3 GLU 12 2HG GLU 12 11.839 24.292 -1.225 55 H ARG 13 H ARG 13 7.484 23.846 -2.224 56 HA ARG 13 HA ARG 13 4.848 24.017 -1.291 57 HB2 ARG 13 1HB ARG 13 4.438 21.990 -2.632 58 HB3 ARG 13 2HB ARG 13 5.368 23.192 -3.517 59 HG2 ARG 13 1HG ARG 13 7.425 21.856 -2.696 60 HG3 ARG 13 2HG ARG 13 6.254 20.569 -2.399 61 HD2 ARG 13 1HD ARG 13 5.603 20.532 -4.694 62 HD3 ARG 13 2HD ARG 13 6.531 21.991 -5.038 63 HE ARG 13 HE ARG 13 8.400 20.244 -4.138 64 HH11 ARG 13 1HH1 ARG 13 5.966 20.108 -6.623 65 HH12 ARG 13 2HH1 ARG 13 6.871 19.032 -7.634 66 HH21 ARG 13 1HH2 ARG 13 9.602 18.826 -5.460 67 HH22 ARG 13 2HH2 ARG 13 8.940 18.302 -6.971 68 H GLN 14 H GLN 14 3.627 21.952 -0.564 69 HA GLN 14 HA GLN 14 5.162 20.494 1.467 70 HB2 GLN 14 1HB GLN 14 2.779 22.240 1.892 71 HB3 GLN 14 2HB GLN 14 2.936 20.786 2.868 72 HG2 GLN 14 1HG GLN 14 4.749 21.569 4.003 73 HG3 GLN 14 2HG GLN 14 5.280 22.593 2.670 74 HE21 GLN 14 1HE2 GLN 14 4.798 24.688 2.721 75 HE22 GLN 14 2HE2 GLN 14 3.736 25.441 3.858 76 H LEU 15 H LEU 15 4.995 18.435 0.879 77 HA LEU 15 HA LEU 15 2.813 17.421 -0.656 78 HB2 LEU 15 1HB LEU 15 4.756 16.295 -1.115 79 HB3 LEU 15 2HB LEU 15 5.279 16.295 0.568 80 HG LEU 15 HG LEU 15 3.760 14.492 1.085 81 HD11 LEU 15 1HD1 LEU 15 1.987 13.946 -0.142 82 HD12 LEU 15 2HD1 LEU 15 2.944 13.843 -1.619 83 HD13 LEU 15 3HD1 LEU 15 2.310 15.400 -1.087 84 HD21 LEU 15 1HD2 LEU 15 4.667 12.982 -1.039 85 HD22 LEU 15 2HD2 LEU 15 5.525 13.275 0.474 86 HD23 LEU 15 3HD2 LEU 15 5.842 14.294 -0.931 87 H SER 16 H SER 16 0.970 16.512 -0.001 88 HA SER 16 HA SER 16 0.697 15.840 2.856 89 HB2 SER 16 1HB SER 16 -0.594 17.889 1.849 90 HB3 SER 16 2HB SER 16 -1.662 16.649 1.192 91 HG SER 16 HG SER 16 -2.512 17.083 3.142 92 HA PRO 17 HA PRO 17 -0.146 11.771 1.289 93 HB2 PRO 17 1HB PRO 17 -0.784 10.656 3.681 94 HB3 PRO 17 2HB PRO 17 0.880 11.000 3.195 95 HG2 PRO 17 1HG PRO 17 -0.940 12.580 4.971 96 HG3 PRO 17 2HG PRO 17 0.781 12.205 5.181 97 HD2 PRO 17 1HD PRO 17 -0.086 14.597 4.256 98 HD3 PRO 17 2HD PRO 17 1.450 13.873 3.739 99 H GLU 18 H GLU 18 -2.355 13.402 3.540 100 HA GLU 18 HA GLU 18 -4.596 11.782 3.148 101 HB2 GLU 18 1HB GLU 18 -5.905 13.785 3.887 102 HB3 GLU 18 2HB GLU 18 -4.577 13.351 4.955 103 HG2 GLU 18 1HG GLU 18 -3.203 15.105 3.832 104 HG3 GLU 18 2HG GLU 18 -4.655 15.604 2.967 105 H LYS 19 H LYS 19 -3.472 14.620 1.366 106 HA LYS 19 HA LYS 19 -5.729 14.779 -0.357 107 HB2 LYS 19 1HB LYS 19 -2.945 15.917 -0.470 108 HB3 LYS 19 2HB LYS 19 -4.089 16.158 -1.783 109 HG2 LYS 19 1HG LYS 19 -4.556 16.965 1.080 110 HG3 LYS 19 2HG LYS 19 -4.020 18.046 -0.209 111 HD2 LYS 19 1HD LYS 19 -6.657 16.620 0.050 112 HD3 LYS 19 2HD LYS 19 -6.357 18.358 -0.018 113 HE2 LYS 19 1HE LYS 19 -5.423 17.946 -2.347 114 HE3 LYS 19 2HE LYS 19 -6.133 16.336 -2.233 115 HZ1 LYS 19 1HZ LYS 19 -7.844 17.447 -3.195 116 HZ2 LYS 19 2HZ LYS 19 -7.447 18.934 -2.494 117 HZ3 LYS 19 3HZ LYS 19 -8.237 17.751 -1.578 118 H SER 20 H SER 20 -2.476 13.401 -0.732 119 HA SER 20 HA SER 20 -2.370 12.634 -3.301 120 HB2 SER 20 1HB SER 20 -1.687 10.916 -0.906 121 HB3 SER 20 2HB SER 20 -1.183 10.558 -2.558 122 HG SER 20 HG SER 20 -0.274 12.501 -0.799 123 H GLU 21 H GLU 21 -3.351 11.263 -4.684 124 HA GLU 21 HA GLU 21 -5.678 9.791 -3.660 125 HB2 GLU 21 1HB GLU 21 -5.228 10.214 -6.578 126 HB3 GLU 21 2HB GLU 21 -6.736 10.129 -5.679 127 HG2 GLU 21 1HG GLU 21 -5.835 12.371 -4.628 128 HG3 GLU 21 2HG GLU 21 -4.924 12.434 -6.136 129 H ILE 22 H ILE 22 -5.751 7.635 -3.727 130 HA ILE 22 HA ILE 22 -3.557 6.235 -5.103 131 HB ILE 22 HB ILE 22 -5.222 5.385 -2.733 132 HG12 ILE 22 1HG1 ILE 22 -2.274 5.992 -3.043 133 HG13 ILE 22 2HG1 ILE 22 -3.455 6.987 -2.200 134 HG21 ILE 22 1HG2 ILE 22 -4.011 3.756 -4.688 135 HG22 ILE 22 2HG2 ILE 22 -3.010 3.653 -3.241 136 HG23 ILE 22 3HG2 ILE 22 -4.727 3.264 -3.154 137 HD11 ILE 22 1HD1 ILE 22 -2.896 5.914 -0.349 138 HD12 ILE 22 2HD1 ILE 22 -3.659 4.474 -1.025 139 HD13 ILE 22 3HD1 ILE 22 -1.931 4.745 -1.250 140 H TRP 23 H TRP 23 -4.082 5.201 -6.901 141 HA TRP 23 HA TRP 23 -6.689 3.871 -7.076 142 HB2 TRP 23 1HB TRP 23 -7.314 4.859 -9.066 143 HB3 TRP 23 2HB TRP 23 -6.497 6.207 -8.279 144 HD1 TRP 23 HD TRP 23 -5.875 3.551 -11.009 145 HE1 TRP 23 1HE TRP 23 -4.084 4.459 -12.619 146 HE3 TRP 23 3HE TRP 23 -4.655 7.849 -8.524 147 HZ2 TRP 23 2HZ TRP 23 -2.378 6.700 -12.810 148 HZ3 TRP 23 3HZ TRP 23 -2.933 9.320 -9.487 149 HH2 TRP 23 HH TRP 23 -1.819 8.755 -11.585 150 H GLY 24 H GLY 24 -6.772 2.288 -8.892 151 HA2 GLY 24 1HA GLY 24 -4.812 1.363 -10.487 152 HA3 GLY 24 2HA GLY 24 -4.309 0.762 -8.914 153 HA PRO 25 HA PRO 25 -7.480 -2.065 -11.043 154 HB2 PRO 25 1HB PRO 25 -5.792 -4.079 -11.726 155 HB3 PRO 25 2HB PRO 25 -6.155 -2.724 -12.801 156 HG2 PRO 25 1HG PRO 25 -3.784 -3.150 -11.024 157 HG3 PRO 25 2HG PRO 25 -3.839 -2.545 -12.689 158 HD2 PRO 25 1HD PRO 25 -3.581 -0.904 -10.551 159 HD3 PRO 25 2HD PRO 25 -4.433 -0.418 -12.030 160 H GLY 26 H GLY 26 -5.137 -2.144 -8.571 161 HA2 GLY 26 1HA GLY 26 -5.683 -4.755 -7.543 162 HA3 GLY 26 2HA GLY 26 -4.849 -3.459 -6.699 163 H LEU 27 H LEU 27 -7.373 -1.792 -7.410 164 HA LEU 27 HA LEU 27 -9.078 -2.867 -5.261 165 HB2 LEU 27 1HB LEU 27 -8.661 0.063 -5.788 166 HB3 LEU 27 2HB LEU 27 -9.450 -0.690 -4.404 167 HG LEU 27 HG LEU 27 -6.534 -1.142 -4.928 168 HD11 LEU 27 1HD1 LEU 27 -5.931 0.778 -3.688 169 HD12 LEU 27 2HD1 LEU 27 -7.607 1.122 -3.265 170 HD13 LEU 27 3HD1 LEU 27 -7.059 1.324 -4.929 171 HD21 LEU 27 1HD2 LEU 27 -8.470 -1.603 -2.757 172 HD22 LEU 27 2HD2 LEU 27 -6.887 -1.008 -2.256 173 HD23 LEU 27 3HD2 LEU 27 -7.014 -2.498 -3.193 174 H LYS 28 H LYS 28 -9.217 -3.047 -8.232 175 HA LYS 28 HA LYS 28 -11.432 -1.380 -9.012 176 HB2 LYS 28 1HB LYS 28 -9.750 -3.463 -10.303 177 HB3 LYS 28 2HB LYS 28 -11.359 -3.208 -10.967 178 HG2 LYS 28 1HG LYS 28 -9.546 -0.880 -10.503 179 HG3 LYS 28 2HG LYS 28 -9.349 -1.896 -11.934 180 HD2 LYS 28 1HD LYS 28 -10.801 -0.327 -12.754 181 HD3 LYS 28 2HD LYS 28 -11.952 -1.516 -12.140 182 HE2 LYS 28 1HE LYS 28 -12.559 -0.207 -10.358 183 HE3 LYS 28 2HE LYS 28 -11.008 0.628 -10.304 184 HZ1 LYS 28 1HZ LYS 28 -13.139 1.039 -12.332 185 HZ2 LYS 28 2HZ LYS 28 -11.638 1.818 -12.324 186 HZ3 LYS 28 3HZ LYS 28 -12.743 2.100 -11.075 187 H ALA 29 H ALA 29 -11.204 -4.917 -9.255 188 HA ALA 29 HA ALA 29 -13.329 -5.502 -7.506 189 HB1 ALA 29 1HB ALA 29 -14.402 -6.044 -10.175 190 HB2 ALA 29 2HB ALA 29 -15.204 -5.426 -8.730 191 HB3 ALA 29 3HB ALA 29 -14.294 -4.330 -9.771 192 H ASP 30 H ASP 30 -13.491 -7.672 -7.154 193 HA ASP 30 HA ASP 30 -12.485 -9.758 -7.055 194 HB2 ASP 30 1HB ASP 30 -14.512 -9.675 -8.754 195 HB3 ASP 30 2HB ASP 30 -13.252 -10.040 -9.929 196 H VAL 31 H VAL 31 -10.452 -7.988 -7.465 197 HA VAL 31 HA VAL 31 -8.853 -8.113 -9.664 198 HB VAL 31 HB VAL 31 -6.900 -7.871 -8.177 199 HG11 VAL 31 1HG1 VAL 31 -8.837 -6.086 -8.610 200 HG12 VAL 31 2HG1 VAL 31 -8.947 -6.191 -6.852 201 HG13 VAL 31 3HG1 VAL 31 -7.423 -5.736 -7.616 202 HG21 VAL 31 1HG2 VAL 31 -7.391 -7.762 -5.694 203 HG22 VAL 31 2HG2 VAL 31 -8.900 -8.602 -6.051 204 HG23 VAL 31 3HG2 VAL 31 -7.356 -9.374 -6.410 205 H VAL 32 H VAL 32 -6.703 -9.335 -9.832 206 HA VAL 32 HA VAL 32 -7.105 -11.955 -10.490 207 HB VAL 32 HB VAL 32 -4.738 -12.269 -10.542 208 HG11 VAL 32 1HG1 VAL 32 -4.800 -10.911 -12.303 209 HG12 VAL 32 2HG1 VAL 32 -5.962 -9.840 -11.516 210 HG13 VAL 32 3HG1 VAL 32 -4.233 -9.624 -11.240 211 HG21 VAL 32 1HG2 VAL 32 -3.152 -10.918 -9.389 212 HG22 VAL 32 2HG2 VAL 32 -4.401 -9.785 -8.871 213 HG23 VAL 32 3HG2 VAL 32 -4.364 -11.419 -8.209 214 H LEU 33 H LEU 33 -6.625 -13.966 -9.530 215 HA LEU 33 HA LEU 33 -7.601 -14.478 -7.045 216 HB2 LEU 33 1HB LEU 33 -5.738 -15.885 -8.852 217 HB3 LEU 33 2HB LEU 33 -5.760 -16.435 -7.178 218 HG LEU 33 HG LEU 33 -8.324 -16.599 -7.522 219 HD11 LEU 33 1HD1 LEU 33 -9.092 -16.927 -9.737 220 HD12 LEU 33 2HD1 LEU 33 -7.455 -16.863 -10.390 221 HD13 LEU 33 3HD1 LEU 33 -8.200 -15.405 -9.735 222 HD21 LEU 33 1HD2 LEU 33 -6.128 -18.397 -8.153 223 HD22 LEU 33 2HD2 LEU 33 -7.613 -18.807 -9.013 224 HD23 LEU 33 3HD2 LEU 33 -7.615 -18.697 -7.252 225 HA PRO 34 HA PRO 34 -3.210 -14.257 -5.046 226 HB2 PRO 34 1HB PRO 34 -1.197 -13.247 -6.561 227 HB3 PRO 34 2HB PRO 34 -1.605 -14.966 -6.528 228 HG2 PRO 34 1HG PRO 34 -2.354 -12.881 -8.540 229 HG3 PRO 34 2HG PRO 34 -1.805 -14.546 -8.806 230 HD2 PRO 34 1HD PRO 34 -4.414 -13.832 -8.940 231 HD3 PRO 34 2HD PRO 34 -3.890 -15.433 -8.381 232 H ALA 35 H ALA 35 -2.094 -11.736 -7.148 233 HA ALA 35 HA ALA 35 -3.545 -9.598 -5.925 234 HB1 ALA 35 1HB ALA 35 -0.960 -8.841 -5.197 235 HB2 ALA 35 2HB ALA 35 -2.288 -9.278 -4.121 236 HB3 ALA 35 3HB ALA 35 -1.133 -10.505 -4.640 237 H ARG 36 H ARG 36 -2.537 -7.428 -6.555 238 HA ARG 36 HA ARG 36 -1.031 -7.619 -9.065 239 HB2 ARG 36 1HB ARG 36 -3.765 -6.517 -8.674 240 HB3 ARG 36 2HB ARG 36 -2.683 -5.629 -9.740 241 HG2 ARG 36 1HG ARG 36 -2.943 -8.560 -10.137 242 HG3 ARG 36 2HG ARG 36 -4.277 -7.521 -10.641 243 HD2 ARG 36 1HD ARG 36 -3.011 -6.448 -12.243 244 HD3 ARG 36 2HD ARG 36 -1.489 -6.816 -11.434 245 HE ARG 36 HE ARG 36 -2.406 -9.252 -12.186 246 HH11 ARG 36 1HH1 ARG 36 -1.875 -6.254 -13.876 247 HH12 ARG 36 2HH1 ARG 36 -1.516 -7.019 -15.389 248 HH21 ARG 36 1HH2 ARG 36 -1.936 -10.271 -14.172 249 HH22 ARG 36 2HH2 ARG 36 -1.552 -9.304 -15.556 250 H TYR 37 H TYR 37 -0.516 -5.258 -9.828 251 HA TYR 37 HA TYR 37 0.470 -3.808 -7.463 252 HB2 TYR 37 1HB TYR 37 2.340 -3.093 -8.732 253 HB3 TYR 37 2HB TYR 37 2.148 -4.805 -9.095 254 HD1 TYR 37 1HD TYR 37 1.553 -1.393 -10.404 255 HD2 TYR 37 2HD TYR 37 1.751 -5.546 -11.308 256 HE1 TYR 37 1HE TYR 37 1.474 -0.868 -12.805 257 HE2 TYR 37 2HE TYR 37 1.674 -5.032 -13.712 258 HH TYR 37 HH TYR 37 1.626 -3.438 -15.253 259 H PHE 38 H PHE 38 0.208 -1.604 -7.307 260 HA PHE 38 HA PHE 38 -1.465 -0.334 -9.371 261 HB2 PHE 38 1HB PHE 38 -2.615 0.912 -7.571 262 HB3 PHE 38 2HB PHE 38 -2.855 -0.827 -7.433 263 HD1 PHE 38 1HD PHE 38 -1.703 -2.101 -5.675 264 HD2 PHE 38 2HD PHE 38 -1.453 2.143 -5.899 265 HE1 PHE 38 1HE PHE 38 -0.888 -2.029 -3.354 266 HE2 PHE 38 2HE PHE 38 -0.637 2.220 -3.580 267 HZ PHE 38 HZ PHE 38 -0.353 0.133 -2.304 268 H TYR 39 H TYR 39 -1.521 2.189 -8.770 269 HA TYR 39 HA TYR 39 1.297 3.000 -8.480 270 HB2 TYR 39 1HB TYR 39 -0.828 4.484 -10.028 271 HB3 TYR 39 2HB TYR 39 0.906 4.784 -10.032 272 HD1 TYR 39 2HD TYR 39 2.289 2.511 -10.662 273 HD2 TYR 39 1HD TYR 39 -1.656 3.483 -11.924 274 HE1 TYR 39 2HE TYR 39 2.547 1.017 -12.599 275 HE2 TYR 39 1HE TYR 39 -1.410 1.991 -13.864 276 HH TYR 39 HH TYR 39 -0.142 0.359 -14.782 277 H ILE 40 H ILE 40 1.648 5.177 -7.616 278 HA ILE 40 HA ILE 40 -0.522 6.138 -5.886 279 HB ILE 40 HB ILE 40 2.301 5.537 -5.011 280 HG12 ILE 40 1HG1 ILE 40 -0.249 4.708 -3.652 281 HG13 ILE 40 2HG1 ILE 40 0.392 3.780 -5.003 282 HG21 ILE 40 1HG2 ILE 40 1.745 6.579 -2.878 283 HG22 ILE 40 2HG2 ILE 40 1.647 7.745 -4.196 284 HG23 ILE 40 3HG2 ILE 40 0.172 7.060 -3.515 285 HD11 ILE 40 1HD1 ILE 40 1.263 3.902 -2.229 286 HD12 ILE 40 2HD1 ILE 40 1.514 2.652 -3.449 287 HD13 ILE 40 3HD1 ILE 40 2.581 4.054 -3.392 288 H GLN 41 H GLN 41 -0.911 8.122 -6.627 289 HA GLN 41 HA GLN 41 1.288 9.777 -7.597 290 HB2 GLN 41 1HB GLN 41 -0.586 9.760 -9.058 291 HB3 GLN 41 2HB GLN 41 -1.711 10.043 -7.736 292 HG2 GLN 41 1HG GLN 41 -1.602 12.100 -8.774 293 HG3 GLN 41 2HG GLN 41 -0.462 12.273 -7.441 294 HE21 GLN 41 1HE2 GLN 41 1.338 13.253 -7.979 295 HE22 GLN 41 2HE2 GLN 41 2.111 13.201 -9.523 296 H ALA 42 H ALA 42 2.047 11.540 -6.573 297 HA ALA 42 HA ALA 42 1.177 11.996 -3.847 298 HB1 ALA 42 1HB ALA 42 3.186 13.035 -3.496 299 HB2 ALA 42 2HB ALA 42 3.616 11.964 -4.830 300 HB3 ALA 42 3HB ALA 42 3.275 13.666 -5.141 301 H VAL 43 H VAL 43 0.551 14.039 -3.013 302 HA VAL 43 HA VAL 43 -0.234 16.090 -4.941 303 HB VAL 43 HB VAL 43 -2.172 14.834 -2.993 304 HG11 VAL 43 1HG1 VAL 43 -2.662 17.132 -2.980 305 HG12 VAL 43 2HG1 VAL 43 -2.364 17.291 -4.712 306 HG13 VAL 43 3HG1 VAL 43 -3.793 16.430 -4.137 307 HG21 VAL 43 1HG2 VAL 43 -1.716 13.593 -5.125 308 HG22 VAL 43 2HG2 VAL 43 -3.394 14.088 -4.899 309 HG23 VAL 43 3HG2 VAL 43 -2.348 14.990 -5.996 310 H ASP 44 H ASP 44 -0.610 18.154 -4.009 311 HA ASP 44 HA ASP 44 0.940 18.601 -1.611 312 HB2 ASP 44 1HB ASP 44 -0.350 20.390 -3.653 313 HB3 ASP 44 2HB ASP 44 0.259 21.051 -2.137 314 H THR 45 H THR 45 -0.084 20.542 -0.214 315 HA THR 45 HA THR 45 -2.272 19.345 1.174 316 HB THR 45 HB THR 45 -1.936 20.901 2.837 317 HG1 THR 45 1HG THR 45 -1.118 22.706 0.789 318 HG21 THR 45 1HG2 THR 45 0.228 19.717 2.125 319 HG22 THR 45 2HG2 THR 45 0.375 21.121 3.182 320 HG23 THR 45 3HG2 THR 45 0.707 21.276 1.457 321 H SER 46 H SER 46 -2.062 21.471 -1.459 322 HA SER 46 HA SER 46 -4.743 22.562 -0.980 323 HB2 SER 46 1HB SER 46 -2.888 24.131 -1.589 324 HB3 SER 46 2HB SER 46 -2.773 23.319 -3.150 325 HG SER 46 HG SER 46 -4.907 23.953 -3.574 326 H GLY 47 H GLY 47 -2.939 20.409 -3.035 327 HA2 GLY 47 1HA GLY 47 -4.244 18.599 -4.060 328 HA3 GLY 47 2HA GLY 47 -5.438 19.813 -4.496 329 H ASN 48 H ASN 48 -1.939 20.143 -4.786 330 HA ASN 48 HA ASN 48 -2.298 20.474 -7.683 331 HB2 ASN 48 1HB ASN 48 0.120 21.309 -6.084 332 HB3 ASN 48 2HB ASN 48 -0.364 21.855 -7.687 333 HD21 ASN 48 1HD2 ASN 48 -0.296 22.636 -4.485 334 HD22 ASN 48 2HD2 ASN 48 -1.511 23.864 -4.468 335 H LYS 49 H LYS 49 -1.658 18.877 -8.954 336 HA LYS 49 HA LYS 49 -0.422 16.539 -8.100 337 HB2 LYS 49 1HB LYS 49 -0.733 17.797 -10.813 338 HB3 LYS 49 2HB LYS 49 0.118 16.271 -10.612 339 HG2 LYS 49 1HG LYS 49 -1.788 15.128 -10.020 340 HG3 LYS 49 2HG LYS 49 -2.618 16.585 -9.469 341 HD2 LYS 49 1HD LYS 49 -3.664 15.951 -11.497 342 HD3 LYS 49 2HD LYS 49 -2.638 17.335 -11.883 343 HE2 LYS 49 1HE LYS 49 -1.536 14.579 -12.175 344 HE3 LYS 49 2HE LYS 49 -2.643 15.193 -13.402 345 HZ1 LYS 49 1HZ LYS 49 -0.321 15.621 -13.962 346 HZ2 LYS 49 2HZ LYS 49 -0.131 16.527 -12.547 347 HZ3 LYS 49 3HZ LYS 49 -1.179 17.064 -13.761 348 H PHE 50 H PHE 50 1.550 16.304 -7.293 349 HA PHE 50 HA PHE 50 3.630 18.149 -7.490 350 HB2 PHE 50 1HB PHE 50 3.389 15.324 -6.600 351 HB3 PHE 50 2HB PHE 50 5.012 15.918 -6.937 352 HD1 PHE 50 1HD PHE 50 2.082 16.226 -4.773 353 HD2 PHE 50 2HD PHE 50 6.027 17.616 -5.559 354 HE1 PHE 50 1HE PHE 50 2.150 17.279 -2.550 355 HE2 PHE 50 2HE PHE 50 6.102 18.670 -3.337 356 HZ PHE 50 HZ PHE 50 4.163 18.502 -1.829 357 H THR 51 H THR 51 3.008 15.209 -9.363 358 HA THR 51 HA THR 51 3.948 14.379 -11.271 359 HB THR 51 HB THR 51 4.609 16.273 -12.949 360 HG1 THR 51 1HG THR 51 3.031 17.789 -11.136 361 HG21 THR 51 1HG2 THR 51 2.427 16.303 -13.724 362 HG22 THR 51 2HG2 THR 51 1.742 16.364 -12.100 363 HG23 THR 51 3HG2 THR 51 2.429 14.860 -12.712 364 H SER 52 H SER 52 5.754 15.029 -8.977 365 HA SER 52 HA SER 52 8.268 15.029 -10.505 366 HB2 SER 52 1HB SER 52 7.591 16.613 -8.036 367 HB3 SER 52 2HB SER 52 9.260 16.204 -8.430 368 HG SER 52 HG SER 52 8.061 18.263 -9.287 369 H SER 53 H SER 53 10.124 14.316 -8.921 370 HA SER 53 HA SER 53 9.182 11.848 -7.632 371 HB2 SER 53 1HB SER 53 10.704 11.246 -9.318 372 HB3 SER 53 2HB SER 53 11.776 12.600 -8.960 373 HG SER 53 HG SER 53 11.374 10.241 -7.446 374 HA PRO 54 HA PRO 54 10.221 13.850 -3.784 375 HB2 PRO 54 1HB PRO 54 9.531 11.755 -2.201 376 HB3 PRO 54 2HB PRO 54 8.342 12.841 -2.929 377 HG2 PRO 54 1HG PRO 54 9.230 10.128 -3.828 378 HG3 PRO 54 2HG PRO 54 7.592 10.803 -3.759 379 HD2 PRO 54 1HD PRO 54 9.013 10.662 -6.059 380 HD3 PRO 54 2HD PRO 54 7.852 11.964 -5.733 381 H GLY 55 H GLY 55 11.145 10.460 -4.405 382 HA2 GLY 55 1HA GLY 55 13.877 10.784 -4.187 383 HA3 GLY 55 2HA GLY 55 13.311 10.489 -2.550 384 H GLU 56 H GLU 56 14.375 8.516 -2.374 385 HA GLU 56 HA GLU 56 13.879 6.421 -4.299 386 HB2 GLU 56 1HB GLU 56 16.055 6.697 -3.082 387 HB3 GLU 56 2HB GLU 56 15.232 6.213 -1.606 388 HG2 GLU 56 1HG GLU 56 16.372 4.316 -2.466 389 HG3 GLU 56 2HG GLU 56 14.645 4.065 -2.713 390 H LYS 57 H LYS 57 13.389 6.600 -0.768 391 HA LYS 57 HA LYS 57 10.868 5.125 -1.130 392 HB2 LYS 57 1HB LYS 57 13.016 4.612 0.930 393 HB3 LYS 57 2HB LYS 57 11.391 3.949 1.035 394 HG2 LYS 57 1HG LYS 57 13.072 3.488 -1.396 395 HG3 LYS 57 2HG LYS 57 13.275 2.497 0.051 396 HD2 LYS 57 1HD LYS 57 10.595 2.919 -1.247 397 HD3 LYS 57 2HD LYS 57 11.687 1.622 -1.739 398 HE2 LYS 57 1HE LYS 57 10.948 1.985 1.140 399 HE3 LYS 57 2HE LYS 57 9.861 1.143 0.038 400 HZ1 LYS 57 1HZ LYS 57 12.222 -0.030 -0.487 401 HZ2 LYS 57 2HZ LYS 57 11.068 -0.639 0.589 402 HZ3 LYS 57 3HZ LYS 57 12.367 0.274 1.171 403 H VAL 58 H VAL 58 9.417 6.692 -0.712 404 HA VAL 58 HA VAL 58 9.685 8.133 1.847 405 HB VAL 58 HB VAL 58 8.430 10.001 0.845 406 HG11 VAL 58 1HG1 VAL 58 10.348 10.968 0.231 407 HG12 VAL 58 2HG1 VAL 58 11.095 9.399 0.536 408 HG13 VAL 58 3HG1 VAL 58 10.593 9.835 -1.098 409 HG21 VAL 58 1HG2 VAL 58 8.561 9.870 -1.812 410 HG22 VAL 58 2HG2 VAL 58 8.368 8.151 -1.470 411 HG23 VAL 58 3HG2 VAL 58 7.158 9.302 -0.906 412 H PHE 59 H PHE 59 7.649 6.345 -0.325 413 HA PHE 59 HA PHE 59 5.352 6.677 1.471 414 HB2 PHE 59 1HB PHE 59 5.614 5.770 -1.385 415 HB3 PHE 59 2HB PHE 59 4.163 5.420 -0.452 416 HD1 PHE 59 1HD PHE 59 3.471 7.702 0.986 417 HD2 PHE 59 2HD PHE 59 5.328 7.508 -2.839 418 HE1 PHE 59 1HE PHE 59 2.584 9.933 0.446 419 HE2 PHE 59 2HE PHE 59 4.445 9.738 -3.385 420 HZ PHE 59 HZ PHE 59 3.072 10.954 -1.742 421 H GLN 60 H GLN 60 4.774 5.101 2.815 422 HA GLN 60 HA GLN 60 6.064 2.479 2.512 423 HB2 GLN 60 1HB GLN 60 6.565 3.590 4.613 424 HB3 GLN 60 2HB GLN 60 4.851 3.806 4.941 425 HG2 GLN 60 1HG GLN 60 5.323 1.992 6.246 426 HG3 GLN 60 2HG GLN 60 4.781 1.207 4.764 427 HE21 GLN 60 1HE2 GLN 60 5.927 -0.666 5.239 428 HE22 GLN 60 2HE2 GLN 60 7.647 -0.751 5.101 429 H VAL 61 H VAL 61 4.880 0.584 2.597 430 HA VAL 61 HA VAL 61 1.951 0.845 2.631 431 HB VAL 61 HB VAL 61 3.563 -0.715 0.608 432 HG11 VAL 61 1HG1 VAL 61 1.042 -1.332 1.678 433 HG12 VAL 61 2HG1 VAL 61 0.745 -0.647 0.079 434 HG13 VAL 61 3HG1 VAL 61 1.814 -2.039 0.259 435 HG21 VAL 61 1HG2 VAL 61 1.496 1.174 -0.270 436 HG22 VAL 61 2HG2 VAL 61 2.878 1.916 0.537 437 HG23 VAL 61 3HG2 VAL 61 3.127 0.906 -0.887 438 H LYS 62 H LYS 62 1.164 -0.385 4.195 439 HA LYS 62 HA LYS 62 2.631 -2.813 4.970 440 HB2 LYS 62 1HB LYS 62 2.369 -1.174 6.763 441 HB3 LYS 62 2HB LYS 62 0.626 -1.170 6.527 442 HG2 LYS 62 1HG LYS 62 0.868 -2.547 8.353 443 HG3 LYS 62 2HG LYS 62 0.806 -3.708 7.025 444 HD2 LYS 62 1HD LYS 62 3.050 -4.204 7.177 445 HD3 LYS 62 2HD LYS 62 3.453 -2.647 7.903 446 HE2 LYS 62 1HE LYS 62 3.679 -4.091 9.693 447 HE3 LYS 62 2HE LYS 62 2.031 -3.501 9.900 448 HZ1 LYS 62 1HZ LYS 62 1.448 -5.630 9.952 449 HZ2 LYS 62 2HZ LYS 62 2.955 -6.157 9.394 450 HZ3 LYS 62 3HZ LYS 62 1.762 -5.686 8.290 451 H VAL 63 H VAL 63 1.629 -4.781 5.040 452 HA VAL 63 HA VAL 63 -1.154 -4.878 4.070 453 HB VAL 63 HB VAL 63 1.043 -6.861 3.462 454 HG11 VAL 63 1HG1 VAL 63 -0.901 -8.123 3.460 455 HG12 VAL 63 2HG1 VAL 63 -1.888 -6.789 2.860 456 HG13 VAL 63 3HG1 VAL 63 -0.771 -7.619 1.776 457 HG21 VAL 63 1HG2 VAL 63 -0.006 -5.740 1.109 458 HG22 VAL 63 2HG2 VAL 63 0.312 -4.392 2.201 459 HG23 VAL 63 3HG2 VAL 63 1.607 -5.514 1.787 460 H SER 64 H SER 64 -2.555 -6.220 5.098 461 HA SER 64 HA SER 64 -1.559 -8.143 7.047 462 HB2 SER 64 1HB SER 64 -3.389 -5.847 7.780 463 HB3 SER 64 2HB SER 64 -3.083 -7.242 8.814 464 HG SER 64 HG SER 64 -1.400 -6.190 9.474 465 H ALA 65 H ALA 65 -3.212 -9.617 7.805 466 HA ALA 65 HA ALA 65 -5.484 -9.800 5.934 467 HB1 ALA 65 1HB ALA 65 -4.005 -11.594 5.469 468 HB2 ALA 65 2HB ALA 65 -3.823 -11.978 7.182 469 HB3 ALA 65 3HB ALA 65 -5.360 -12.276 6.370 470 HA PRO 66 HA PRO 66 -8.125 -9.477 9.456 471 HB2 PRO 66 1HB PRO 66 -10.394 -10.445 8.323 472 HB3 PRO 66 2HB PRO 66 -9.757 -8.834 7.972 473 HG2 PRO 66 1HG PRO 66 -9.496 -11.361 6.388 474 HG3 PRO 66 2HG PRO 66 -9.838 -9.716 5.822 475 HD2 PRO 66 1HD PRO 66 -7.375 -10.829 5.660 476 HD3 PRO 66 2HD PRO 66 -7.622 -9.089 5.911 477 H GLU 67 H GLU 67 -8.487 -12.485 7.565 478 HA GLU 67 HA GLU 67 -9.277 -13.977 9.897 479 HB2 GLU 67 1HB GLU 67 -10.070 -14.394 7.511 480 HB3 GLU 67 2HB GLU 67 -8.493 -15.115 7.218 481 HG2 GLU 67 1HG GLU 67 -8.923 -16.936 8.538 482 HG3 GLU 67 2HG GLU 67 -10.107 -16.080 9.523 483 H GLU 68 H GLU 68 -6.573 -14.366 7.598 484 HA GLU 68 HA GLU 68 -5.111 -16.107 9.277 485 HB2 GLU 68 1HB GLU 68 -4.871 -15.823 6.762 486 HB3 GLU 68 2HB GLU 68 -3.944 -14.370 7.106 487 HG2 GLU 68 1HG GLU 68 -2.620 -16.464 6.662 488 HG3 GLU 68 2HG GLU 68 -2.218 -15.584 8.136 489 H GLN 69 H GLN 69 -4.179 -15.607 11.137 490 HA GLN 69 HA GLN 69 -3.685 -12.925 11.951 491 HB2 GLN 69 1HB GLN 69 -4.265 -14.596 13.599 492 HB3 GLN 69 2HB GLN 69 -2.864 -15.567 13.166 493 HG2 GLN 69 1HG GLN 69 -1.381 -13.830 14.000 494 HG3 GLN 69 2HG GLN 69 -2.772 -12.824 14.402 495 HE21 GLN 69 1HE2 GLN 69 -1.557 -12.965 16.511 496 HE22 GLN 69 2HE2 GLN 69 -2.009 -14.241 17.583 497 H PHE 70 H PHE 70 -1.450 -15.653 11.400 498 HA PHE 70 HA PHE 70 0.808 -13.847 11.309 499 HB2 PHE 70 1HB PHE 70 0.444 -16.811 11.276 500 HB3 PHE 70 2HB PHE 70 1.947 -16.144 10.648 501 HD1 PHE 70 1HD PHE 70 3.396 -14.776 12.137 502 HD2 PHE 70 2HD PHE 70 0.018 -16.918 13.592 503 HE1 PHE 70 1HE PHE 70 4.275 -14.599 14.429 504 HE2 PHE 70 2HE PHE 70 0.891 -16.744 15.885 505 HZ PHE 70 HZ PHE 70 3.022 -15.583 16.307 506 H THR 71 H THR 71 0.854 -12.620 9.511 507 HA THR 71 HA THR 71 0.737 -14.018 6.917 508 HB THR 71 HB THR 71 -0.056 -11.153 7.478 509 HG1 THR 71 1HG THR 71 -1.750 -13.255 6.605 510 HG21 THR 71 1HG2 THR 71 -1.019 -11.505 5.076 511 HG22 THR 71 2HG2 THR 71 0.209 -12.767 4.973 512 HG23 THR 71 3HG2 THR 71 0.684 -11.098 5.286 513 H ARG 72 H ARG 72 2.821 -14.292 6.361 514 HA ARG 72 HA ARG 72 4.740 -12.142 6.819 515 HB2 ARG 72 1HB ARG 72 5.072 -14.745 7.189 516 HB3 ARG 72 2HB ARG 72 5.489 -14.701 5.481 517 HG2 ARG 72 1HG ARG 72 6.786 -12.748 7.308 518 HG3 ARG 72 2HG ARG 72 7.317 -14.430 7.345 519 HD2 ARG 72 1HD ARG 72 7.888 -14.377 5.030 520 HD3 ARG 72 2HD ARG 72 7.125 -12.802 4.819 521 HE ARG 72 HE ARG 72 9.013 -11.806 5.658 522 HH11 ARG 72 1HH1 ARG 72 9.117 -15.223 6.313 523 HH12 ARG 72 2HH1 ARG 72 10.759 -15.200 6.868 524 HH21 ARG 72 1HH2 ARG 72 11.175 -11.762 6.386 525 HH22 ARG 72 2HH2 ARG 72 11.928 -13.230 6.910 526 H VAL 73 H VAL 73 4.641 -10.588 5.315 527 HA VAL 73 HA VAL 73 4.762 -11.417 2.490 528 HB VAL 73 HB VAL 73 3.127 -9.215 3.723 529 HG11 VAL 73 1HG1 VAL 73 2.676 -8.448 1.389 530 HG12 VAL 73 2HG1 VAL 73 4.316 -8.126 1.956 531 HG13 VAL 73 3HG1 VAL 73 4.011 -9.468 0.854 532 HG21 VAL 73 1HG2 VAL 73 2.208 -11.021 1.544 533 HG22 VAL 73 2HG2 VAL 73 2.369 -11.681 3.171 534 HG23 VAL 73 3HG2 VAL 73 1.301 -10.309 2.879 535 H GLY 74 H GLY 74 5.957 -10.050 1.088 536 HA2 GLY 74 1HA GLY 74 7.819 -8.244 2.506 537 HA3 GLY 74 2HA GLY 74 8.323 -9.300 1.195 538 H VAL 75 H VAL 75 6.625 -6.373 2.040 539 HA VAL 75 HA VAL 75 5.951 -5.717 -0.686 540 HB VAL 75 HB VAL 75 5.816 -4.092 1.854 541 HG11 VAL 75 1HG1 VAL 75 4.645 -2.399 0.630 542 HG12 VAL 75 2HG1 VAL 75 6.185 -2.697 -0.179 543 HG13 VAL 75 3HG1 VAL 75 4.693 -3.363 -0.846 544 HG21 VAL 75 1HG2 VAL 75 3.925 -5.210 2.187 545 HG22 VAL 75 2HG2 VAL 75 3.282 -4.483 0.715 546 HG23 VAL 75 3HG2 VAL 75 4.095 -6.046 0.644 547 H GLN 76 H GLN 76 7.236 -4.762 -2.115 548 HA GLN 76 HA GLN 76 9.522 -3.191 -1.130 549 HB2 GLN 76 1HB GLN 76 10.168 -5.462 -2.013 550 HB3 GLN 76 2HB GLN 76 9.577 -4.945 -3.587 551 HG2 GLN 76 1HG GLN 76 11.206 -3.065 -3.505 552 HG3 GLN 76 2HG GLN 76 11.861 -3.765 -2.026 553 HE21 GLN 76 1HE2 GLN 76 12.283 -3.560 -5.261 554 HE22 GLN 76 2HE2 GLN 76 13.186 -5.007 -5.535 555 H VAL 77 H VAL 77 9.096 -1.143 -1.626 556 HA VAL 77 HA VAL 77 7.417 -0.388 -3.817 557 HB VAL 77 HB VAL 77 9.186 1.337 -2.077 558 HG11 VAL 77 1HG1 VAL 77 8.132 2.077 -4.438 559 HG12 VAL 77 2HG1 VAL 77 6.774 2.439 -3.371 560 HG13 VAL 77 3HG1 VAL 77 8.348 3.180 -3.079 561 HG21 VAL 77 1HG2 VAL 77 6.350 1.547 -1.604 562 HG22 VAL 77 2HG2 VAL 77 6.903 -0.114 -1.387 563 HG23 VAL 77 3HG2 VAL 77 7.653 1.192 -0.470 564 H LEU 78 H LEU 78 8.153 -0.688 -5.831 565 HA LEU 78 HA LEU 78 10.950 -0.160 -6.461 566 HB2 LEU 78 1HB LEU 78 8.703 -1.581 -7.777 567 HB3 LEU 78 2HB LEU 78 9.945 -0.885 -8.816 568 HG LEU 78 HG LEU 78 10.547 -2.812 -6.580 569 HD11 LEU 78 1HD1 LEU 78 9.121 -3.960 -8.136 570 HD12 LEU 78 2HD1 LEU 78 10.781 -4.505 -8.372 571 HD13 LEU 78 3HD1 LEU 78 10.060 -3.360 -9.503 572 HD21 LEU 78 1HD2 LEU 78 12.663 -2.351 -7.053 573 HD22 LEU 78 2HD2 LEU 78 12.148 -1.176 -8.263 574 HD23 LEU 78 3HD2 LEU 78 12.405 -2.860 -8.721 575 H ASP 79 H ASP 79 11.560 1.203 -8.237 576 HA ASP 79 HA ASP 79 9.758 3.504 -8.523 577 HB2 ASP 79 1HB ASP 79 11.908 4.096 -7.610 578 HB3 ASP 79 2HB ASP 79 12.745 3.242 -8.904 579 H ARG 80 H ARG 80 8.603 3.559 -10.325 580 HA ARG 80 HA ARG 80 9.774 2.437 -12.785 581 HB2 ARG 80 1HB ARG 80 6.870 2.745 -12.001 582 HB3 ARG 80 2HB ARG 80 7.430 2.169 -13.566 583 HG2 ARG 80 1HG ARG 80 8.218 0.810 -11.013 584 HG3 ARG 80 2HG ARG 80 6.710 0.432 -11.848 585 HD2 ARG 80 1HD ARG 80 8.177 -1.145 -12.706 586 HD3 ARG 80 2HD ARG 80 8.216 0.126 -13.927 587 HE ARG 80 HE ARG 80 10.252 0.631 -12.085 588 HH11 ARG 80 1HH1 ARG 80 9.398 -1.732 -14.495 589 HH12 ARG 80 2HH1 ARG 80 11.041 -2.148 -14.857 590 HH21 ARG 80 1HH2 ARG 80 12.419 0.092 -12.552 591 HH22 ARG 80 2HH2 ARG 80 12.758 -1.111 -13.751 592 H LYS 81 H LYS 81 7.447 4.929 -11.731 593 HA LYS 81 HA LYS 81 8.370 6.604 -13.972 594 HB2 LYS 81 1HB LYS 81 6.073 6.178 -14.307 595 HB3 LYS 81 2HB LYS 81 5.700 6.390 -12.601 596 HG2 LYS 81 1HG LYS 81 4.879 8.321 -13.589 597 HG3 LYS 81 2HG LYS 81 6.445 8.821 -12.946 598 HD2 LYS 81 1HD LYS 81 7.436 8.850 -15.061 599 HD3 LYS 81 2HD LYS 81 6.170 7.845 -15.769 600 HE2 LYS 81 1HE LYS 81 4.650 9.888 -15.066 601 HE3 LYS 81 2HE LYS 81 6.179 10.760 -15.167 602 HZ1 LYS 81 1HZ LYS 81 5.522 9.006 -17.398 603 HZ2 LYS 81 2HZ LYS 81 6.273 10.522 -17.397 604 HZ3 LYS 81 3HZ LYS 81 4.592 10.412 -17.246 605 H ASP 82 H ASP 82 8.639 8.855 -13.610 606 HA ASP 82 HA ASP 82 9.962 9.519 -11.235 607 HB2 ASP 82 1HB ASP 82 9.956 10.641 -13.625 608 HB3 ASP 82 2HB ASP 82 8.715 11.662 -12.905 609 H GLY 83 H GLY 83 6.920 10.994 -12.385 610 HA2 GLY 83 1HA GLY 83 6.264 11.835 -9.701 611 HA3 GLY 83 2HA GLY 83 5.307 12.116 -11.148 612 H SER 84 H SER 84 6.405 8.929 -10.234 613 HA SER 84 HA SER 84 3.935 8.218 -8.931 614 HB2 SER 84 1HB SER 84 4.405 7.622 -11.795 615 HB3 SER 84 2HB SER 84 3.792 6.288 -10.818 616 HG SER 84 HG SER 84 2.628 8.844 -11.194 617 H PHE 85 H PHE 85 3.895 5.720 -8.625 618 HA PHE 85 HA PHE 85 6.533 4.518 -8.519 619 HB2 PHE 85 1HB PHE 85 4.984 5.318 -6.071 620 HB3 PHE 85 2HB PHE 85 6.093 3.951 -6.029 621 HD1 PHE 85 1HD PHE 85 8.507 4.410 -6.847 622 HD2 PHE 85 2HD PHE 85 5.771 7.449 -5.663 623 HE1 PHE 85 1HE PHE 85 10.388 5.947 -6.457 624 HE2 PHE 85 2HE PHE 85 7.648 8.991 -5.272 625 HZ PHE 85 HZ PHE 85 9.960 8.241 -5.669 626 H ILE 86 H ILE 86 6.433 2.244 -7.748 627 HA ILE 86 HA ILE 86 3.787 1.052 -8.260 628 HB ILE 86 HB ILE 86 5.648 0.796 -10.074 629 HG12 ILE 86 1HG1 ILE 86 4.213 -1.667 -9.063 630 HG13 ILE 86 2HG1 ILE 86 3.433 -0.377 -9.972 631 HG21 ILE 86 1HG2 ILE 86 7.148 -1.049 -9.764 632 HG22 ILE 86 2HG2 ILE 86 7.363 0.076 -8.424 633 HG23 ILE 86 3HG2 ILE 86 6.448 -1.413 -8.187 634 HD11 ILE 86 1HD1 ILE 86 3.901 -2.059 -11.530 635 HD12 ILE 86 2HD1 ILE 86 5.142 -0.832 -11.787 636 HD13 ILE 86 3HD1 ILE 86 5.529 -2.306 -10.900 637 H VAL 87 H VAL 87 3.207 -0.735 -7.049 638 HA VAL 87 HA VAL 87 4.974 -1.341 -4.768 639 HB VAL 87 HB VAL 87 1.956 -1.395 -4.885 640 HG11 VAL 87 1HG1 VAL 87 3.906 -2.342 -2.820 641 HG12 VAL 87 2HG1 VAL 87 2.303 -1.773 -2.350 642 HG13 VAL 87 3HG1 VAL 87 2.466 -3.145 -3.447 643 HG21 VAL 87 1HG2 VAL 87 2.747 0.247 -2.817 644 HG22 VAL 87 2HG2 VAL 87 3.909 0.612 -4.093 645 HG23 VAL 87 3HG2 VAL 87 2.180 0.775 -4.402 646 H ARG 88 H ARG 88 5.733 -3.344 -4.669 647 HA ARG 88 HA ARG 88 4.187 -5.508 -5.930 648 HB2 ARG 88 1HB ARG 88 7.156 -4.997 -6.108 649 HB3 ARG 88 2HB ARG 88 6.422 -6.542 -6.519 650 HG2 ARG 88 1HG ARG 88 5.606 -3.960 -7.818 651 HG3 ARG 88 2HG ARG 88 6.904 -4.982 -8.439 652 HD2 ARG 88 1HD ARG 88 4.272 -6.237 -7.855 653 HD3 ARG 88 2HD ARG 88 4.412 -5.222 -9.290 654 HE ARG 88 HE ARG 88 6.535 -7.100 -9.163 655 HH11 ARG 88 1HH1 ARG 88 3.144 -6.810 -9.899 656 HH12 ARG 88 2HH1 ARG 88 3.134 -8.153 -10.993 657 HH21 ARG 88 1HH2 ARG 88 6.533 -8.870 -10.601 658 HH22 ARG 88 2HH2 ARG 88 5.062 -9.324 -11.391 659 H TYR 89 H TYR 89 4.208 -7.486 -4.894 660 HA TYR 89 HA TYR 89 5.846 -7.855 -2.525 661 HB2 TYR 89 1HB TYR 89 3.703 -8.505 -1.233 662 HB3 TYR 89 2HB TYR 89 4.089 -6.796 -1.401 663 HD1 TYR 89 1HD TYR 89 3.039 -5.701 -3.619 664 HD2 TYR 89 2HD TYR 89 1.518 -9.128 -1.606 665 HE1 TYR 89 1HE TYR 89 0.826 -5.296 -4.613 666 HE2 TYR 89 2HE TYR 89 -0.699 -8.732 -2.595 667 HH TYR 89 HH TYR 89 -1.345 -5.874 -4.573 668 H ARG 90 H ARG 90 5.873 -10.027 -1.761 669 HA ARG 90 HA ARG 90 5.293 -11.947 -3.868 670 HB2 ARG 90 1HB ARG 90 6.801 -13.392 -2.812 671 HB3 ARG 90 2HB ARG 90 7.494 -11.797 -2.547 672 HG2 ARG 90 1HG ARG 90 6.488 -11.777 -0.290 673 HG3 ARG 90 2HG ARG 90 5.917 -13.424 -0.566 674 HD2 ARG 90 1HD ARG 90 7.958 -13.525 0.689 675 HD3 ARG 90 2HD ARG 90 8.272 -14.117 -0.942 676 HE ARG 90 HE ARG 90 9.306 -11.694 0.269 677 HH11 ARG 90 1HH1 ARG 90 8.811 -13.536 -2.643 678 HH12 ARG 90 2HH1 ARG 90 10.053 -12.715 -3.529 679 HH21 ARG 90 1HH2 ARG 90 10.944 -10.606 -0.886 680 HH22 ARG 90 2HH2 ARG 90 11.267 -11.050 -2.528 681 H MET 91 H MET 91 4.184 -13.938 -3.470 682 HA MET 91 HA MET 91 2.485 -14.020 -1.090 683 HB2 MET 91 1HB MET 91 1.408 -12.939 -3.257 684 HB3 MET 91 2HB MET 91 1.198 -14.624 -3.713 685 HG2 MET 91 1HG MET 91 -0.803 -14.001 -2.673 686 HG3 MET 91 2HG MET 91 0.072 -14.952 -1.476 687 HE1 MET 91 1HE MET 91 -1.641 -14.221 0.004 688 HE2 MET 91 2HE MET 91 -1.360 -12.892 1.129 689 HE3 MET 91 3HE MET 91 -2.377 -12.646 -0.291 690 H TYR 92 H TYR 92 2.401 -15.999 -0.245 691 HA TYR 92 HA TYR 92 3.728 -18.176 -1.566 692 HB2 TYR 92 1HB TYR 92 2.512 -17.726 1.121 693 HB3 TYR 92 2HB TYR 92 2.755 -19.385 0.586 694 HD1 TYR 92 1HD TYR 92 4.717 -16.195 0.522 695 HD2 TYR 92 2HD TYR 92 4.682 -20.365 1.367 696 HE1 TYR 92 1HE TYR 92 7.072 -16.067 1.220 697 HE2 TYR 92 2HE TYR 92 7.036 -20.249 2.069 698 HH TYR 92 HH TYR 92 9.017 -18.764 1.625 699 H ALA 93 H ALA 93 0.429 -17.201 -0.976 700 HA ALA 93 HA ALA 93 -0.524 -19.146 -2.880 701 HB1 ALA 93 1HB ALA 93 -0.439 -20.383 -0.698 702 HB2 ALA 93 2HB ALA 93 -1.662 -19.264 -0.096 703 HB3 ALA 93 3HB ALA 93 -2.028 -20.318 -1.461 704 H SER 94 H SER 94 -2.975 -18.941 -3.123 705 HA SER 94 HA SER 94 -3.611 -16.268 -3.682 706 HB2 SER 94 1HB SER 94 -5.812 -17.074 -4.275 707 HB3 SER 94 2HB SER 94 -4.624 -18.266 -4.801 708 HG SER 94 HG SER 94 -6.601 -18.983 -3.575 709 H TYR 95 H TYR 95 -5.331 -14.958 -2.795 710 HA TYR 95 HA TYR 95 -5.893 -15.491 0.044 711 HB2 TYR 95 1HB TYR 95 -5.204 -13.408 0.731 712 HB3 TYR 95 2HB TYR 95 -4.066 -13.682 -0.583 713 HD1 TYR 95 1HD TYR 95 -7.318 -12.060 0.208 714 HD2 TYR 95 2HD TYR 95 -3.932 -12.171 -2.365 715 HE1 TYR 95 1HE TYR 95 -8.078 -9.984 -0.871 716 HE2 TYR 95 2HE TYR 95 -4.681 -10.095 -3.451 717 HH TYR 95 HH TYR 95 -6.092 -8.182 -2.990 718 H LYS 96 H LYS 96 -7.961 -15.265 0.618 719 HA LYS 96 HA LYS 96 -9.926 -14.653 -1.375 720 HB2 LYS 96 1HB LYS 96 -10.056 -15.398 1.537 721 HB3 LYS 96 2HB LYS 96 -11.500 -14.921 0.654 722 HG2 LYS 96 1HG LYS 96 -10.702 -16.753 -1.037 723 HG3 LYS 96 2HG LYS 96 -9.818 -17.359 0.365 724 HD2 LYS 96 1HD LYS 96 -11.761 -17.800 1.557 725 HD3 LYS 96 2HD LYS 96 -12.726 -16.683 0.589 726 HE2 LYS 96 1HE LYS 96 -12.604 -18.193 -1.310 727 HE3 LYS 96 2HE LYS 96 -11.569 -19.289 -0.397 728 HZ1 LYS 96 1HZ LYS 96 -14.418 -18.652 0.118 729 HZ2 LYS 96 2HZ LYS 96 -13.446 -19.492 1.218 730 HZ3 LYS 96 3HZ LYS 96 -13.756 -20.149 -0.310 731 H ASN 97 H ASN 97 -8.837 -13.102 1.627 732 HA ASN 97 HA ASN 97 -9.770 -10.540 0.593 733 HB2 ASN 97 1HB ASN 97 -10.468 -11.272 3.424 734 HB3 ASN 97 2HB ASN 97 -11.133 -9.988 2.419 735 HD21 ASN 97 1HD2 ASN 97 -12.297 -10.779 0.432 736 HD22 ASN 97 2HD2 ASN 97 -13.325 -12.153 0.632 737 H LEU 98 H LEU 98 -8.277 -9.026 0.910 738 HA LEU 98 HA LEU 98 -6.369 -9.374 3.126 739 HB2 LEU 98 1HB LEU 98 -5.897 -8.876 0.241 740 HB3 LEU 98 2HB LEU 98 -4.854 -8.038 1.389 741 HG LEU 98 HG LEU 98 -5.169 -11.019 1.057 742 HD11 LEU 98 1HD1 LEU 98 -3.510 -9.135 -0.209 743 HD12 LEU 98 2HD1 LEU 98 -3.414 -10.894 -0.289 744 HD13 LEU 98 3HD1 LEU 98 -2.494 -10.016 0.933 745 HD21 LEU 98 1HD2 LEU 98 -3.952 -9.376 3.223 746 HD22 LEU 98 2HD2 LEU 98 -3.163 -10.880 2.748 747 HD23 LEU 98 3HD2 LEU 98 -4.831 -10.901 3.321 748 H LYS 99 H LYS 99 -5.546 -7.468 4.068 749 HA LYS 99 HA LYS 99 -7.226 -5.100 3.585 750 HB2 LYS 99 1HB LYS 99 -7.390 -6.120 5.840 751 HB3 LYS 99 2HB LYS 99 -5.669 -5.841 6.070 752 HG2 LYS 99 1HG LYS 99 -6.201 -3.374 5.646 753 HG3 LYS 99 2HG LYS 99 -7.886 -3.834 5.901 754 HD2 LYS 99 1HD LYS 99 -5.789 -4.610 7.892 755 HD3 LYS 99 2HD LYS 99 -6.475 -2.984 7.910 756 HE2 LYS 99 1HE LYS 99 -8.321 -5.319 7.804 757 HE3 LYS 99 2HE LYS 99 -7.531 -4.935 9.333 758 HZ1 LYS 99 1HZ LYS 99 -8.508 -2.552 8.278 759 HZ2 LYS 99 2HZ LYS 99 -9.046 -3.374 9.655 760 HZ3 LYS 99 3HZ LYS 99 -9.756 -3.688 8.152 761 H VAL 100 H VAL 100 -6.214 -3.668 2.339 762 HA VAL 100 HA VAL 100 -3.327 -3.455 2.324 763 HB VAL 100 HB VAL 100 -5.439 -1.929 0.797 764 HG11 VAL 100 1HG1 VAL 100 -3.888 -0.467 0.181 765 HG12 VAL 100 2HG1 VAL 100 -2.735 -1.242 1.270 766 HG13 VAL 100 3HG1 VAL 100 -2.863 -1.777 -0.406 767 HG21 VAL 100 1HG2 VAL 100 -4.612 -3.242 -1.119 768 HG22 VAL 100 2HG2 VAL 100 -3.549 -4.132 -0.028 769 HG23 VAL 100 3HG2 VAL 100 -5.299 -4.259 0.148 770 H GLU 101 H GLU 101 -2.117 -1.868 3.209 771 HA GLU 101 HA GLU 101 -3.490 0.417 4.441 772 HB2 GLU 101 1HB GLU 101 -1.763 -1.615 5.767 773 HB3 GLU 101 2HB GLU 101 -1.600 0.057 6.283 774 HG2 GLU 101 1HG GLU 101 -4.122 0.045 6.590 775 HG3 GLU 101 2HG GLU 101 -4.021 -1.706 6.421 776 H ILE 102 H ILE 102 -2.472 2.331 4.212 777 HA ILE 102 HA ILE 102 0.333 2.357 3.365 778 HB ILE 102 HB ILE 102 -1.697 4.074 1.958 779 HG12 ILE 102 1HG1 ILE 102 -1.256 2.366 0.039 780 HG13 ILE 102 2HG1 ILE 102 -0.812 1.270 1.343 781 HG21 ILE 102 1HG2 ILE 102 0.887 3.207 0.778 782 HG22 ILE 102 2HG2 ILE 102 0.009 4.725 0.592 783 HG23 ILE 102 3HG2 ILE 102 0.924 4.410 2.067 784 HD11 ILE 102 1HD1 ILE 102 -2.942 0.783 1.641 785 HD12 ILE 102 2HD1 ILE 102 -3.277 2.471 2.031 786 HD13 ILE 102 3HD1 ILE 102 -3.388 1.913 0.362 787 H LYS 103 H LYS 103 1.496 3.947 4.269 788 HA LYS 103 HA LYS 103 0.148 6.307 5.338 789 HB2 LYS 103 1HB LYS 103 2.013 4.630 7.025 790 HB3 LYS 103 2HB LYS 103 1.176 6.096 7.520 791 HG2 LYS 103 1HG LYS 103 -0.952 4.987 7.398 792 HG3 LYS 103 2HG LYS 103 -0.200 3.538 6.727 793 HD2 LYS 103 1HD LYS 103 1.209 3.540 8.889 794 HD3 LYS 103 2HD LYS 103 -0.024 4.641 9.510 795 HE2 LYS 103 1HE LYS 103 -1.642 2.772 8.562 796 HE3 LYS 103 2HE LYS 103 -0.219 1.759 8.804 797 HZ1 LYS 103 1HZ LYS 103 -0.512 1.782 10.995 798 HZ2 LYS 103 2HZ LYS 103 -2.053 2.416 10.703 799 HZ3 LYS 103 3HZ LYS 103 -0.762 3.454 11.047 800 H PHE 104 H PHE 104 1.833 7.893 6.219 801 HA PHE 104 HA PHE 104 4.403 7.674 4.839 802 HB2 PHE 104 1HB PHE 104 3.319 8.919 3.200 803 HB3 PHE 104 2HB PHE 104 2.317 9.773 4.369 804 HD1 PHE 104 1HD PHE 104 5.774 9.486 3.072 805 HD2 PHE 104 2HD PHE 104 2.956 11.864 5.200 806 HE1 PHE 104 1HE PHE 104 7.338 11.384 3.016 807 HE2 PHE 104 2HE PHE 104 4.516 13.766 5.146 808 HZ PHE 104 HZ PHE 104 6.710 13.528 4.053 809 H GLN 105 H GLN 105 5.813 7.830 6.455 810 HA GLN 105 HA GLN 105 6.847 8.501 8.373 811 HB2 GLN 105 1HB GLN 105 5.789 11.086 7.256 812 HB3 GLN 105 2HB GLN 105 6.746 11.048 8.731 813 HG2 GLN 105 1HG GLN 105 7.696 9.866 6.139 814 HG3 GLN 105 2HG GLN 105 7.993 11.541 6.601 815 HE21 GLN 105 1HE2 GLN 105 9.698 9.042 6.227 816 HE22 GLN 105 2HE2 GLN 105 10.686 9.007 7.643 817 H GLY 106 H GLY 106 4.013 7.645 8.543 818 HA2 GLY 106 1HA GLY 106 2.841 7.227 10.560 819 HA3 GLY 106 2HA GLY 106 3.520 8.703 11.231 820 H GLN 107 H GLN 107 1.933 8.378 8.099 821 HA GLN 107 HA GLN 107 -0.515 9.570 9.073 822 HB2 GLN 107 1HB GLN 107 1.286 11.055 7.153 823 HB3 GLN 107 2HB GLN 107 -0.379 11.497 7.507 824 HG2 GLN 107 1HG GLN 107 0.181 11.947 9.805 825 HG3 GLN 107 2HG GLN 107 1.829 11.377 9.547 826 HE21 GLN 107 1HE2 GLN 107 3.063 12.561 7.849 827 HE22 GLN 107 2HE2 GLN 107 2.852 14.273 7.759 828 H HIS 108 H HIS 108 -2.076 8.498 8.077 829 HA HIS 108 HA HIS 108 -1.736 6.777 5.921 830 HB2 HIS 108 1HB HIS 108 -4.112 8.037 7.225 831 HB3 HIS 108 2HB HIS 108 -4.340 7.176 5.706 832 HD1 HIS 108 1HD HIS 108 -4.360 4.655 5.793 833 HD2 HIS 108 2HD HIS 108 -3.193 6.386 9.385 834 HE1 HIS 108 1HE HIS 108 -4.291 2.770 7.457 835 HE2 HIS 108 2HE HIS 108 -3.666 3.856 9.642 836 H VAL 109 H VAL 109 -2.224 6.906 3.727 837 HA VAL 109 HA VAL 109 -2.161 9.632 2.637 838 HB VAL 109 HB VAL 109 -1.486 6.999 1.317 839 HG11 VAL 109 1HG1 VAL 109 -0.602 9.427 -0.014 840 HG12 VAL 109 2HG1 VAL 109 -1.431 8.014 -0.670 841 HG13 VAL 109 3HG1 VAL 109 -2.358 9.310 0.087 842 HG21 VAL 109 1HG2 VAL 109 0.352 9.277 2.027 843 HG22 VAL 109 2HG2 VAL 109 0.109 7.865 3.056 844 HG23 VAL 109 3HG2 VAL 109 0.795 7.673 1.443 845 H ALA 110 H ALA 110 -3.807 6.514 2.256 846 HA ALA 110 HA ALA 110 -5.959 7.914 0.807 847 HB1 ALA 110 1HB ALA 110 -6.499 5.487 0.045 848 HB2 ALA 110 2HB ALA 110 -5.189 6.377 -0.732 849 HB3 ALA 110 3HB ALA 110 -4.825 5.167 0.499 850 H LYS 111 H LYS 111 -8.010 6.240 0.963 851 HA LYS 111 HA LYS 111 -8.850 6.487 3.692 852 HB2 LYS 111 1HB LYS 111 -10.117 5.625 1.131 853 HB3 LYS 111 2HB LYS 111 -10.886 5.154 2.641 854 HG2 LYS 111 1HG LYS 111 -11.960 7.122 2.216 855 HG3 LYS 111 2HG LYS 111 -10.621 7.698 3.211 856 HD2 LYS 111 1HD LYS 111 -10.685 9.175 1.390 857 HD3 LYS 111 2HD LYS 111 -9.373 8.057 1.009 858 HE2 LYS 111 1HE LYS 111 -10.471 8.043 -0.990 859 HE3 LYS 111 2HE LYS 111 -11.331 6.735 -0.179 860 HZ1 LYS 111 1HZ LYS 111 -13.217 7.884 -0.223 861 HZ2 LYS 111 2HZ LYS 111 -12.460 8.952 -1.294 862 HZ3 LYS 111 3HZ LYS 111 -12.486 9.293 0.362 863 H SER 112 H SER 112 -6.721 4.874 3.836 864 HA SER 112 HA SER 112 -7.574 2.098 3.803 865 HB2 SER 112 1HB SER 112 -4.994 3.535 4.119 866 HB3 SER 112 2HB SER 112 -5.135 1.975 4.929 867 HG SER 112 HG SER 112 -4.573 1.295 3.000 868 HA PRO 113 HA PRO 113 -6.250 0.334 4.977 869 HB2 PRO 113 1HB PRO 113 -7.600 -1.741 6.090 870 HB3 PRO 113 2HB PRO 113 -6.136 -1.054 6.804 871 HG2 PRO 113 1HG PRO 113 -9.001 -0.565 7.519 872 HG3 PRO 113 2HG PRO 113 -7.608 -0.813 8.587 873 HD2 PRO 113 1HD PRO 113 -8.617 1.643 8.056 874 HD3 PRO 113 2HD PRO 113 -6.891 1.366 8.367 875 H TYR 114 H TYR 114 -7.328 -1.480 3.685 876 HA TYR 114 HA TYR 114 -10.002 -0.628 2.790 877 HB2 TYR 114 1HB TYR 114 -7.565 -1.316 1.175 878 HB3 TYR 114 2HB TYR 114 -9.175 -1.522 0.495 879 HD1 TYR 114 1HD TYR 114 -10.728 0.551 0.555 880 HD2 TYR 114 2HD TYR 114 -6.507 0.752 1.044 881 HE1 TYR 114 1HE TYR 114 -10.776 2.932 -0.062 882 HE2 TYR 114 2HE TYR 114 -6.543 3.133 0.430 883 HH TYR 114 HH TYR 114 -8.226 4.630 -1.033 884 H ILE 115 H ILE 115 -11.502 -2.179 2.666 885 HA ILE 115 HA ILE 115 -10.615 -4.970 2.990 886 HB ILE 115 HB ILE 115 -13.376 -4.017 3.678 887 HG12 ILE 115 1HG1 ILE 115 -11.770 -2.593 4.908 888 HG13 ILE 115 2HG1 ILE 115 -12.666 -3.661 5.983 889 HG21 ILE 115 1HG2 ILE 115 -12.661 -6.474 3.462 890 HG22 ILE 115 2HG2 ILE 115 -11.799 -6.209 4.976 891 HG23 ILE 115 3HG2 ILE 115 -13.548 -5.991 4.907 892 HD11 ILE 115 1HD1 ILE 115 -9.959 -3.310 5.971 893 HD12 ILE 115 2HD1 ILE 115 -10.814 -4.680 6.681 894 HD13 ILE 115 3HD1 ILE 115 -10.154 -4.801 5.050 895 H LEU 116 H LEU 116 -10.646 -5.918 1.049 896 HA LEU 116 HA LEU 116 -12.900 -5.370 -0.756 897 HB2 LEU 116 1HB LEU 116 -10.256 -6.687 -1.360 898 HB3 LEU 116 2HB LEU 116 -11.510 -6.279 -2.530 899 HG LEU 116 HG LEU 116 -10.347 -4.073 -0.909 900 HD11 LEU 116 1HD1 LEU 116 -8.712 -4.064 -3.071 901 HD12 LEU 116 2HD1 LEU 116 -8.816 -5.790 -2.730 902 HD13 LEU 116 3HD1 LEU 116 -8.263 -4.677 -1.479 903 HD21 LEU 116 1HD2 LEU 116 -12.050 -4.356 -3.139 904 HD22 LEU 116 2HD2 LEU 116 -10.559 -3.615 -3.720 905 HD23 LEU 116 3HD2 LEU 116 -11.460 -2.867 -2.401 906 H LYS 117 H LYS 117 -14.485 -6.749 -0.127 907 HA LYS 117 HA LYS 117 -13.871 -9.619 -0.324 908 HB2 LYS 117 1HB LYS 117 -15.364 -10.103 1.526 909 HB3 LYS 117 2HB LYS 117 -14.111 -8.987 2.053 910 HG2 LYS 117 1HG LYS 117 -16.729 -7.912 1.116 911 HG3 LYS 117 2HG LYS 117 -16.595 -8.604 2.735 912 HD2 LYS 117 1HD LYS 117 -14.557 -7.065 3.006 913 HD3 LYS 117 2HD LYS 117 -15.171 -6.225 1.580 914 HE2 LYS 117 1HE LYS 117 -17.334 -5.920 2.758 915 HE3 LYS 117 2HE LYS 117 -16.615 -6.646 4.195 916 HZ1 LYS 117 1HZ LYS 117 -16.559 -4.236 4.301 917 HZ2 LYS 117 2HZ LYS 117 -15.676 -4.165 2.860 918 HZ3 LYS 117 3HZ LYS 117 -14.988 -4.861 4.240 919 H GLY 118 H GLY 118 -16.200 -10.804 -0.251 920 HA2 GLY 118 1HA GLY 118 -18.536 -9.883 -1.156 921 HA3 GLY 118 2HA GLY 118 -17.556 -9.774 -2.610 922 H SER 119 H SER 119 -19.703 -11.670 -1.010 923 HA SER 119 HA SER 119 -18.856 -14.256 -1.051 924 HB2 SER 119 1HB SER 119 -21.536 -13.169 -1.940 925 HB3 SER 119 2HB SER 119 -21.218 -14.878 -1.642 926 HG SER 119 HG SER 119 -20.726 -12.880 0.300 927 H GLY 120 H GLY 120 -18.997 -15.988 -2.587 928 HA2 GLY 120 1HA GLY 120 -19.349 -15.388 -5.386 929 HA3 GLY 120 2HA GLY 120 -17.673 -15.669 -4.936 930 HA PRO 121 HA PRO 121 -20.311 -19.745 -4.438 931 HB2 PRO 121 1HB PRO 121 -22.276 -19.930 -6.302 932 HB3 PRO 121 2HB PRO 121 -22.544 -19.263 -4.687 933 HG2 PRO 121 1HG PRO 121 -22.081 -17.831 -7.275 934 HG3 PRO 121 2HG PRO 121 -23.246 -17.469 -5.988 935 HD2 PRO 121 1HD PRO 121 -20.912 -16.124 -6.262 936 HD3 PRO 121 2HD PRO 121 -21.666 -16.417 -4.681 937 H SER 122 H SER 122 -19.365 -18.078 -7.319 938 HA SER 122 HA SER 122 -18.941 -20.536 -8.817 939 HB2 SER 122 1HB SER 122 -19.806 -18.586 -10.020 940 HB3 SER 122 2HB SER 122 -18.386 -17.651 -9.553 941 HG SER 122 HG SER 122 -17.682 -18.383 -11.411 942 H SER 123 H SER 123 -16.994 -21.452 -9.243 943 HA SER 123 HA SER 123 -14.831 -20.874 -7.485 944 HB2 SER 123 1HB SER 123 -15.175 -23.155 -8.157 945 HB3 SER 123 2HB SER 123 -15.064 -22.727 -9.864 946 HG SER 123 HG SER 123 -12.894 -22.304 -9.599 947 H GLY 124 H GLY 124 -15.181 -20.622 -11.025 948 HA2 GLY 124 1HA GLY 124 -13.561 -18.241 -11.075 949 HA3 GLY 124 2HA GLY 124 -12.745 -19.645 -11.747 Start of MODEL 6 1 H1 GLY 1 H GLY 1 26.705 6.130 -5.783 2 HA2 GLY 1 1HA GLY 1 26.715 8.239 -3.732 3 HA3 GLY 1 2HA GLY 1 27.395 8.577 -5.317 4 H SER 2 H SER 2 25.167 9.889 -4.014 5 HA SER 2 HA SER 2 23.350 9.916 -6.206 6 HB2 SER 2 1HB SER 2 22.667 7.849 -4.836 7 HB3 SER 2 2HB SER 2 22.113 8.995 -3.615 8 HG SER 2 HG SER 2 20.607 9.766 -5.010 9 H SER 3 H SER 3 22.312 11.831 -6.309 10 HA SER 3 HA SER 3 23.081 13.971 -4.723 11 HB2 SER 3 1HB SER 3 21.434 15.263 -5.868 12 HB3 SER 3 2HB SER 3 21.997 14.052 -7.019 13 HG SER 3 HG SER 3 20.104 13.072 -6.943 14 H GLY 4 H GLY 4 22.200 15.049 -2.989 15 HA2 GLY 4 1HA GLY 4 19.664 14.330 -1.860 16 HA3 GLY 4 2HA GLY 4 21.010 13.658 -0.950 17 H SER 5 H SER 5 22.767 15.322 -0.421 18 HA SER 5 HA SER 5 21.571 17.375 1.124 19 HB2 SER 5 1HB SER 5 24.469 16.881 0.404 20 HB3 SER 5 2HB SER 5 23.925 18.060 1.597 21 HG SER 5 HG SER 5 23.832 16.487 2.968 22 H SER 6 H SER 6 20.821 19.247 0.413 23 HA SER 6 HA SER 6 22.348 20.781 -1.532 24 HB2 SER 6 1HB SER 6 19.416 20.174 -1.979 25 HB3 SER 6 2HB SER 6 20.454 21.162 -3.007 26 HG SER 6 HG SER 6 20.847 18.402 -2.467 27 H GLY 7 H GLY 7 22.590 22.717 -0.648 28 HA2 GLY 7 1HA GLY 7 21.073 23.660 1.535 29 HA3 GLY 7 2HA GLY 7 22.189 24.619 0.574 30 H GLU 8 H GLU 8 18.872 23.630 0.996 31 HA GLU 8 HA GLU 8 17.926 25.199 -1.241 32 HB2 GLU 8 1HB GLU 8 16.644 23.470 0.837 33 HB3 GLU 8 2HB GLU 8 15.653 24.613 -0.059 34 HG2 GLU 8 1HG GLU 8 17.435 22.629 -1.430 35 HG3 GLU 8 2HG GLU 8 15.786 22.239 -0.944 36 H THR 9 H THR 9 17.260 25.279 2.264 37 HA THR 9 HA THR 9 16.495 26.984 3.594 38 HB THR 9 HB THR 9 17.936 29.022 3.532 39 HG1 THR 9 1HG THR 9 19.540 27.772 1.593 40 HG21 THR 9 1HG2 THR 9 18.964 27.584 4.944 41 HG22 THR 9 2HG2 THR 9 20.158 27.487 3.649 42 HG23 THR 9 3HG2 THR 9 18.909 26.251 3.792 43 H GLY 10 H GLY 10 14.898 26.700 1.298 44 HA2 GLY 10 1HA GLY 10 14.203 29.517 0.734 45 HA3 GLY 10 2HA GLY 10 13.998 28.225 -0.439 46 H GLY 11 H GLY 11 12.431 26.526 0.075 47 HA2 GLY 11 1HA GLY 11 10.661 26.020 1.871 48 HA3 GLY 11 2HA GLY 11 10.160 27.675 1.558 49 H GLU 12 H GLU 12 10.584 24.506 0.041 50 HA GLU 12 HA GLU 12 9.010 25.242 -2.259 51 HB2 GLU 12 1HB GLU 12 10.361 22.736 -1.326 52 HB3 GLU 12 2HB GLU 12 9.167 22.653 -2.613 53 HG2 GLU 12 1HG GLU 12 10.499 24.367 -3.848 54 HG3 GLU 12 2HG GLU 12 11.742 24.203 -2.610 55 H ARG 13 H ARG 13 7.242 23.510 -2.874 56 HA ARG 13 HA ARG 13 5.022 23.958 -1.293 57 HB2 ARG 13 1HB ARG 13 3.898 22.247 -2.592 58 HB3 ARG 13 2HB ARG 13 4.945 23.193 -3.643 59 HG2 ARG 13 1HG ARG 13 6.668 21.349 -3.321 60 HG3 ARG 13 2HG ARG 13 5.348 20.398 -2.635 61 HD2 ARG 13 1HD ARG 13 5.217 19.752 -4.827 62 HD3 ARG 13 2HD ARG 13 4.117 21.130 -4.841 63 HE ARG 13 HE ARG 13 5.616 22.285 -6.151 64 HH11 ARG 13 1HH1 ARG 13 7.112 19.396 -4.910 65 HH12 ARG 13 2HH1 ARG 13 8.508 19.525 -5.927 66 HH21 ARG 13 1HH2 ARG 13 7.449 22.465 -7.496 67 HH22 ARG 13 2HH2 ARG 13 8.699 21.272 -7.398 68 H GLN 14 H GLN 14 3.642 21.923 -0.506 69 HA GLN 14 HA GLN 14 5.361 20.350 1.295 70 HB2 GLN 14 1HB GLN 14 2.637 21.463 1.980 71 HB3 GLN 14 2HB GLN 14 3.703 20.564 3.051 72 HG2 GLN 14 1HG GLN 14 3.851 22.866 3.623 73 HG3 GLN 14 2HG GLN 14 5.362 22.402 2.841 74 HE21 GLN 14 1HE2 GLN 14 5.576 24.734 2.561 75 HE22 GLN 14 2HE2 GLN 14 4.835 25.481 1.192 76 H LEU 15 H LEU 15 5.172 18.241 0.983 77 HA LEU 15 HA LEU 15 3.133 17.149 -0.696 78 HB2 LEU 15 1HB LEU 15 5.130 16.030 -0.922 79 HB3 LEU 15 2HB LEU 15 5.470 16.073 0.807 80 HG LEU 15 HG LEU 15 3.907 14.284 1.209 81 HD11 LEU 15 1HD1 LEU 15 3.379 13.720 -1.626 82 HD12 LEU 15 2HD1 LEU 15 2.573 15.147 -0.977 83 HD13 LEU 15 3HD1 LEU 15 2.325 13.574 -0.220 84 HD21 LEU 15 1HD2 LEU 15 5.440 12.765 0.669 85 HD22 LEU 15 2HD2 LEU 15 6.290 14.044 -0.198 86 HD23 LEU 15 3HD2 LEU 15 5.160 12.996 -1.058 87 H SER 16 H SER 16 1.191 16.440 -0.129 88 HA SER 16 HA SER 16 0.708 15.798 2.707 89 HB2 SER 16 1HB SER 16 -0.428 17.882 1.730 90 HB3 SER 16 2HB SER 16 -1.418 16.760 0.796 91 HG SER 16 HG SER 16 -1.159 16.515 3.596 92 HA PRO 17 HA PRO 17 -0.191 11.737 1.152 93 HB2 PRO 17 1HB PRO 17 -1.045 10.695 3.509 94 HB3 PRO 17 2HB PRO 17 0.663 10.964 3.141 95 HG2 PRO 17 1HG PRO 17 -1.215 12.649 4.752 96 HG3 PRO 17 2HG PRO 17 0.469 12.210 5.094 97 HD2 PRO 17 1HD PRO 17 -0.231 14.617 4.069 98 HD3 PRO 17 2HD PRO 17 1.308 13.823 3.677 99 H GLU 18 H GLU 18 -2.508 13.200 3.443 100 HA GLU 18 HA GLU 18 -4.753 11.747 2.792 101 HB2 GLU 18 1HB GLU 18 -6.031 13.862 3.436 102 HB3 GLU 18 2HB GLU 18 -4.926 13.201 4.633 103 HG2 GLU 18 1HG GLU 18 -3.265 14.862 4.073 104 HG3 GLU 18 2HG GLU 18 -4.289 15.488 2.782 105 H LYS 19 H LYS 19 -3.492 14.645 1.196 106 HA LYS 19 HA LYS 19 -5.606 14.977 -0.635 107 HB2 LYS 19 1HB LYS 19 -2.803 15.945 -0.415 108 HB3 LYS 19 2HB LYS 19 -3.571 16.063 -1.992 109 HG2 LYS 19 1HG LYS 19 -5.137 17.050 0.307 110 HG3 LYS 19 2HG LYS 19 -3.708 17.985 -0.142 111 HD2 LYS 19 1HD LYS 19 -5.317 18.972 -1.458 112 HD3 LYS 19 2HD LYS 19 -4.684 17.747 -2.560 113 HE2 LYS 19 1HE LYS 19 -7.081 17.702 -2.659 114 HE3 LYS 19 2HE LYS 19 -6.524 16.239 -1.849 115 HZ1 LYS 19 1HZ LYS 19 -6.879 17.784 0.250 116 HZ2 LYS 19 2HZ LYS 19 -8.133 16.858 -0.405 117 HZ3 LYS 19 3HZ LYS 19 -8.015 18.504 -0.776 118 H SER 20 H SER 20 -2.501 13.277 -0.910 119 HA SER 20 HA SER 20 -2.383 12.534 -3.490 120 HB2 SER 20 1HB SER 20 -1.965 10.688 -1.127 121 HB3 SER 20 2HB SER 20 -1.379 10.385 -2.763 122 HG SER 20 HG SER 20 -0.591 12.405 -0.951 123 H GLU 21 H GLU 21 -3.254 10.976 -4.850 124 HA GLU 21 HA GLU 21 -5.773 9.763 -3.915 125 HB2 GLU 21 1HB GLU 21 -5.226 10.441 -6.791 126 HB3 GLU 21 2HB GLU 21 -6.771 10.154 -6.004 127 HG2 GLU 21 1HG GLU 21 -6.139 12.285 -4.635 128 HG3 GLU 21 2HG GLU 21 -5.067 12.595 -6.000 129 H ILE 22 H ILE 22 -5.745 7.625 -3.847 130 HA ILE 22 HA ILE 22 -3.769 6.182 -5.474 131 HB ILE 22 HB ILE 22 -5.249 5.325 -2.987 132 HG12 ILE 22 1HG1 ILE 22 -2.331 5.925 -3.516 133 HG13 ILE 22 2HG1 ILE 22 -3.436 6.899 -2.552 134 HG21 ILE 22 1HG2 ILE 22 -4.986 3.255 -3.799 135 HG22 ILE 22 2HG2 ILE 22 -3.846 3.784 -5.035 136 HG23 ILE 22 3HG2 ILE 22 -3.284 3.473 -3.393 137 HD11 ILE 22 1HD1 ILE 22 -2.483 5.787 -0.853 138 HD12 ILE 22 2HD1 ILE 22 -3.653 4.539 -1.283 139 HD13 ILE 22 3HD1 ILE 22 -1.993 4.433 -1.871 140 H TRP 23 H TRP 23 -4.492 5.219 -7.243 141 HA TRP 23 HA TRP 23 -7.256 4.196 -7.259 142 HB2 TRP 23 1HB TRP 23 -7.456 4.767 -9.582 143 HB3 TRP 23 2HB TRP 23 -6.887 6.198 -8.727 144 HD1 TRP 23 HD TRP 23 -5.653 3.488 -11.158 145 HE1 TRP 23 1HE TRP 23 -3.543 4.362 -12.344 146 HE3 TRP 23 3HE TRP 23 -4.979 7.820 -8.528 147 HZ2 TRP 23 2HZ TRP 23 -1.820 6.593 -12.186 148 HZ3 TRP 23 3HZ TRP 23 -3.076 9.268 -9.108 149 HH2 TRP 23 HH TRP 23 -1.530 8.665 -10.899 150 H GLY 24 H GLY 24 -7.623 2.364 -8.732 151 HA2 GLY 24 1HA GLY 24 -5.895 0.847 -10.126 152 HA3 GLY 24 2HA GLY 24 -5.463 0.448 -8.470 153 HA PRO 25 HA PRO 25 -9.555 -1.626 -10.051 154 HB2 PRO 25 1HB PRO 25 -8.687 -3.582 -11.721 155 HB3 PRO 25 2HB PRO 25 -9.169 -1.979 -12.288 156 HG2 PRO 25 1HG PRO 25 -6.425 -3.062 -11.778 157 HG3 PRO 25 2HG PRO 25 -7.004 -2.073 -13.131 158 HD2 PRO 25 1HD PRO 25 -5.625 -1.028 -11.048 159 HD3 PRO 25 2HD PRO 25 -6.873 -0.116 -11.921 160 H GLY 26 H GLY 26 -6.696 -2.319 -8.539 161 HA2 GLY 26 1HA GLY 26 -6.870 -5.093 -8.046 162 HA3 GLY 26 2HA GLY 26 -6.015 -3.926 -7.048 163 H LEU 27 H LEU 27 -8.312 -2.320 -6.418 164 HA LEU 27 HA LEU 27 -9.253 -3.753 -4.158 165 HB2 LEU 27 1HB LEU 27 -10.424 -1.236 -5.324 166 HB3 LEU 27 2HB LEU 27 -10.554 -1.807 -3.662 167 HG LEU 27 HG LEU 27 -7.854 -1.192 -4.772 168 HD11 LEU 27 1HD1 LEU 27 -9.546 0.693 -5.270 169 HD12 LEU 27 2HD1 LEU 27 -8.029 1.099 -4.469 170 HD13 LEU 27 3HD1 LEU 27 -9.513 0.964 -3.527 171 HD21 LEU 27 1HD2 LEU 27 -8.596 -2.165 -2.415 172 HD22 LEU 27 2HD2 LEU 27 -8.790 -0.449 -2.057 173 HD23 LEU 27 3HD2 LEU 27 -7.226 -1.068 -2.590 174 H LYS 28 H LYS 28 -10.162 -3.886 -7.364 175 HA LYS 28 HA LYS 28 -12.988 -4.293 -6.975 176 HB2 LYS 28 1HB LYS 28 -11.270 -4.918 -9.384 177 HB3 LYS 28 2HB LYS 28 -13.027 -4.854 -9.351 178 HG2 LYS 28 1HG LYS 28 -12.900 -2.460 -8.780 179 HG3 LYS 28 2HG LYS 28 -11.142 -2.547 -8.913 180 HD2 LYS 28 1HD LYS 28 -11.819 -1.735 -10.995 181 HD3 LYS 28 2HD LYS 28 -11.572 -3.460 -11.278 182 HE2 LYS 28 1HE LYS 28 -13.610 -3.211 -12.268 183 HE3 LYS 28 2HE LYS 28 -14.136 -3.557 -10.621 184 HZ1 LYS 28 1HZ LYS 28 -15.301 -1.655 -11.565 185 HZ2 LYS 28 2HZ LYS 28 -13.834 -0.844 -11.792 186 HZ3 LYS 28 3HZ LYS 28 -14.373 -1.193 -10.227 187 H ALA 29 H ALA 29 -13.791 -6.424 -8.249 188 HA ALA 29 HA ALA 29 -12.862 -8.614 -6.594 189 HB1 ALA 29 1HB ALA 29 -15.264 -8.232 -6.905 190 HB2 ALA 29 2HB ALA 29 -15.085 -8.545 -8.632 191 HB3 ALA 29 3HB ALA 29 -14.776 -9.832 -7.465 192 H ASP 30 H ASP 30 -13.540 -8.308 -10.087 193 HA ASP 30 HA ASP 30 -11.929 -10.578 -10.732 194 HB2 ASP 30 1HB ASP 30 -13.221 -8.447 -12.438 195 HB3 ASP 30 2HB ASP 30 -12.317 -9.803 -13.107 196 H VAL 31 H VAL 31 -9.898 -10.031 -9.802 197 HA VAL 31 HA VAL 31 -8.443 -7.810 -11.031 198 HB VAL 31 HB VAL 31 -6.727 -8.198 -9.349 199 HG11 VAL 31 1HG1 VAL 31 -9.247 -7.206 -8.896 200 HG12 VAL 31 2HG1 VAL 31 -9.023 -8.333 -7.557 201 HG13 VAL 31 3HG1 VAL 31 -7.863 -7.030 -7.818 202 HG21 VAL 31 1HG2 VAL 31 -6.477 -10.327 -8.695 203 HG22 VAL 31 2HG2 VAL 31 -7.730 -9.953 -7.511 204 HG23 VAL 31 3HG2 VAL 31 -8.160 -10.730 -9.035 205 H VAL 32 H VAL 32 -5.933 -8.476 -11.187 206 HA VAL 32 HA VAL 32 -5.663 -10.019 -13.477 207 HB VAL 32 HB VAL 32 -3.275 -9.971 -13.117 208 HG11 VAL 32 1HG1 VAL 32 -3.956 -7.906 -13.904 209 HG12 VAL 32 2HG1 VAL 32 -4.822 -7.509 -12.418 210 HG13 VAL 32 3HG1 VAL 32 -3.059 -7.471 -12.449 211 HG21 VAL 32 1HG2 VAL 32 -2.918 -8.639 -10.689 212 HG22 VAL 32 2HG2 VAL 32 -4.048 -9.947 -10.340 213 HG23 VAL 32 3HG2 VAL 32 -2.481 -10.306 -11.065 214 H LEU 33 H LEU 33 -4.463 -12.046 -13.765 215 HA LEU 33 HA LEU 33 -5.555 -14.117 -12.143 216 HB2 LEU 33 1HB LEU 33 -5.312 -14.908 -14.247 217 HB3 LEU 33 2HB LEU 33 -3.884 -13.926 -14.565 218 HG LEU 33 HG LEU 33 -2.584 -15.559 -13.151 219 HD11 LEU 33 1HD1 LEU 33 -5.267 -16.739 -12.977 220 HD12 LEU 33 2HD1 LEU 33 -3.888 -16.879 -11.887 221 HD13 LEU 33 3HD1 LEU 33 -3.968 -17.876 -13.340 222 HD21 LEU 33 1HD2 LEU 33 -2.228 -15.750 -15.439 223 HD22 LEU 33 2HD2 LEU 33 -3.879 -16.284 -15.753 224 HD23 LEU 33 3HD2 LEU 33 -2.732 -17.376 -14.976 225 HA PRO 34 HA PRO 34 -0.986 -14.833 -10.759 226 HB2 PRO 34 1HB PRO 34 0.845 -12.955 -11.462 227 HB3 PRO 34 2HB PRO 34 0.467 -14.354 -12.473 228 HG2 PRO 34 1HG PRO 34 -0.517 -11.536 -12.696 229 HG3 PRO 34 2HG PRO 34 0.025 -12.637 -13.977 230 HD2 PRO 34 1HD PRO 34 -2.593 -12.191 -13.449 231 HD3 PRO 34 2HD PRO 34 -1.991 -13.752 -14.044 232 H ALA 35 H ALA 35 -0.130 -11.476 -10.918 233 HA ALA 35 HA ALA 35 -1.185 -11.027 -8.210 234 HB1 ALA 35 1HB ALA 35 0.991 -9.760 -7.771 235 HB2 ALA 35 2HB ALA 35 1.056 -11.523 -7.751 236 HB3 ALA 35 3HB ALA 35 1.635 -10.635 -9.160 237 H ARG 36 H ARG 36 -1.600 -8.847 -7.667 238 HA ARG 36 HA ARG 36 -1.804 -7.065 -10.004 239 HB2 ARG 36 1HB ARG 36 -3.991 -7.674 -9.191 240 HB3 ARG 36 2HB ARG 36 -3.542 -7.262 -7.542 241 HG2 ARG 36 1HG ARG 36 -4.880 -5.492 -8.327 242 HG3 ARG 36 2HG ARG 36 -3.219 -4.896 -8.346 243 HD2 ARG 36 1HD ARG 36 -3.292 -5.812 -10.821 244 HD3 ARG 36 2HD ARG 36 -5.026 -5.576 -10.610 245 HE ARG 36 HE ARG 36 -3.814 -3.240 -9.769 246 HH11 ARG 36 1HH1 ARG 36 -4.034 -5.093 -12.708 247 HH12 ARG 36 2HH1 ARG 36 -3.878 -3.713 -13.744 248 HH21 ARG 36 1HH2 ARG 36 -3.608 -1.415 -11.122 249 HH22 ARG 36 2HH2 ARG 36 -3.635 -1.622 -12.841 250 H TYR 37 H TYR 37 -1.388 -4.837 -9.719 251 HA TYR 37 HA TYR 37 -0.137 -4.020 -7.207 252 HB2 TYR 37 1HB TYR 37 1.845 -3.164 -8.299 253 HB3 TYR 37 2HB TYR 37 1.676 -4.874 -8.680 254 HD1 TYR 37 1HD TYR 37 1.199 -1.458 -10.030 255 HD2 TYR 37 2HD TYR 37 1.483 -5.609 -10.919 256 HE1 TYR 37 1HE TYR 37 1.331 -0.929 -12.429 257 HE2 TYR 37 2HE TYR 37 1.616 -5.092 -13.320 258 HH TYR 37 HH TYR 37 0.739 -2.266 -14.643 259 H PHE 38 H PHE 38 -0.282 -1.843 -6.771 260 HA PHE 38 HA PHE 38 -1.802 -0.243 -8.724 261 HB2 PHE 38 1HB PHE 38 -2.906 0.875 -6.890 262 HB3 PHE 38 2HB PHE 38 -3.091 -0.863 -6.681 263 HD1 PHE 38 1HD PHE 38 -1.586 -2.047 -5.041 264 HD2 PHE 38 2HD PHE 38 -1.913 2.193 -5.233 265 HE1 PHE 38 1HE PHE 38 -0.648 -1.875 -2.773 266 HE2 PHE 38 2HE PHE 38 -0.975 2.371 -2.966 267 HZ PHE 38 HZ PHE 38 -0.340 0.336 -1.733 268 H TYR 39 H TYR 39 -1.498 2.129 -8.490 269 HA TYR 39 HA TYR 39 1.335 2.707 -7.975 270 HB2 TYR 39 1HB TYR 39 -0.589 4.450 -9.508 271 HB3 TYR 39 2HB TYR 39 1.170 4.488 -9.538 272 HD1 TYR 39 2HD TYR 39 2.379 2.452 -10.521 273 HD2 TYR 39 1HD TYR 39 -1.774 3.188 -11.081 274 HE1 TYR 39 2HE TYR 39 2.383 0.955 -12.472 275 HE2 TYR 39 1HE TYR 39 -1.781 1.692 -13.034 276 HH TYR 39 HH TYR 39 -0.605 0.214 -14.226 277 H ILE 40 H ILE 40 1.805 4.958 -7.205 278 HA ILE 40 HA ILE 40 -0.256 5.953 -5.360 279 HB ILE 40 HB ILE 40 2.652 5.535 -4.660 280 HG12 ILE 40 1HG1 ILE 40 0.345 4.329 -3.183 281 HG13 ILE 40 2HG1 ILE 40 0.888 3.580 -4.680 282 HG21 ILE 40 1HG2 ILE 40 1.817 6.261 -2.365 283 HG22 ILE 40 2HG2 ILE 40 2.009 7.519 -3.585 284 HG23 ILE 40 3HG2 ILE 40 0.404 6.895 -3.208 285 HD11 ILE 40 1HD1 ILE 40 3.221 3.975 -3.266 286 HD12 ILE 40 2HD1 ILE 40 2.051 3.498 -2.035 287 HD13 ILE 40 3HD1 ILE 40 2.335 2.460 -3.431 288 H GLN 41 H GLN 41 -0.728 7.882 -6.221 289 HA GLN 41 HA GLN 41 1.369 9.547 -7.355 290 HB2 GLN 41 1HB GLN 41 -0.767 9.350 -8.542 291 HB3 GLN 41 2HB GLN 41 -1.612 10.002 -7.144 292 HG2 GLN 41 1HG GLN 41 -1.432 11.800 -8.610 293 HG3 GLN 41 2HG GLN 41 -0.149 12.066 -7.430 294 HE21 GLN 41 1HE2 GLN 41 1.167 13.264 -8.722 295 HE22 GLN 41 2HE2 GLN 41 1.965 12.638 -10.120 296 H ALA 42 H ALA 42 2.142 11.404 -6.487 297 HA ALA 42 HA ALA 42 1.399 11.954 -3.710 298 HB1 ALA 42 1HB ALA 42 3.851 11.773 -4.960 299 HB2 ALA 42 2HB ALA 42 3.613 13.510 -4.766 300 HB3 ALA 42 3HB ALA 42 3.544 12.449 -3.359 301 H VAL 43 H VAL 43 0.178 13.641 -3.187 302 HA VAL 43 HA VAL 43 -0.077 15.845 -5.130 303 HB VAL 43 HB VAL 43 -2.188 14.828 -3.221 304 HG11 VAL 43 1HG1 VAL 43 -3.629 16.402 -4.642 305 HG12 VAL 43 2HG1 VAL 43 -2.571 17.126 -3.429 306 HG13 VAL 43 3HG1 VAL 43 -2.105 17.142 -5.130 307 HG21 VAL 43 1HG2 VAL 43 -2.260 14.747 -6.226 308 HG22 VAL 43 2HG2 VAL 43 -1.637 13.410 -5.258 309 HG23 VAL 43 3HG2 VAL 43 -3.316 13.919 -5.081 310 H ASP 44 H ASP 44 -0.468 17.959 -4.252 311 HA ASP 44 HA ASP 44 1.010 18.397 -1.794 312 HB2 ASP 44 1HB ASP 44 1.091 19.765 -4.054 313 HB3 ASP 44 2HB ASP 44 -0.264 20.625 -3.326 314 H THR 45 H THR 45 0.009 20.494 -0.574 315 HA THR 45 HA THR 45 -2.281 19.478 0.779 316 HB THR 45 HB THR 45 -2.207 21.598 2.067 317 HG1 THR 45 1HG THR 45 0.133 22.278 0.632 318 HG21 THR 45 1HG2 THR 45 0.288 21.291 2.788 319 HG22 THR 45 2HG2 THR 45 0.234 19.914 1.687 320 HG23 THR 45 3HG2 THR 45 -0.872 19.992 3.057 321 H SER 46 H SER 46 -1.886 21.393 -1.997 322 HA SER 46 HA SER 46 -4.513 22.649 -1.739 323 HB2 SER 46 1HB SER 46 -2.384 22.941 -3.874 324 HB3 SER 46 2HB SER 46 -3.897 23.846 -3.819 325 HG SER 46 HG SER 46 -2.328 25.101 -2.872 326 H GLY 47 H GLY 47 -2.775 20.313 -3.740 327 HA2 GLY 47 1HA GLY 47 -4.212 18.377 -4.414 328 HA3 GLY 47 2HA GLY 47 -5.358 19.584 -4.979 329 H ASN 48 H ASN 48 -1.845 19.642 -5.352 330 HA ASN 48 HA ASN 48 -2.239 19.424 -8.265 331 HB2 ASN 48 1HB ASN 48 -0.193 20.875 -8.464 332 HB3 ASN 48 2HB ASN 48 -1.598 21.682 -7.773 333 HD21 ASN 48 1HD2 ASN 48 -1.379 22.674 -5.887 334 HD22 ASN 48 2HD2 ASN 48 -0.018 22.531 -4.832 335 H LYS 49 H LYS 49 -1.214 17.807 -9.237 336 HA LYS 49 HA LYS 49 0.192 15.827 -7.897 337 HB2 LYS 49 1HB LYS 49 0.299 16.574 -10.824 338 HB3 LYS 49 2HB LYS 49 0.924 15.073 -10.154 339 HG2 LYS 49 1HG LYS 49 -1.281 14.393 -9.482 340 HG3 LYS 49 2HG LYS 49 -1.951 15.949 -9.979 341 HD2 LYS 49 1HD LYS 49 -0.835 15.261 -12.288 342 HD3 LYS 49 2HD LYS 49 -1.065 13.640 -11.627 343 HE2 LYS 49 1HE LYS 49 -3.342 15.546 -11.491 344 HE3 LYS 49 2HE LYS 49 -2.936 14.852 -13.060 345 HZ1 LYS 49 1HZ LYS 49 -4.275 13.652 -10.863 346 HZ2 LYS 49 2HZ LYS 49 -2.912 12.746 -11.287 347 HZ3 LYS 49 3HZ LYS 49 -4.097 13.082 -12.446 348 H PHE 50 H PHE 50 2.310 15.414 -7.477 349 HA PHE 50 HA PHE 50 4.110 17.645 -7.468 350 HB2 PHE 50 1HB PHE 50 4.131 14.861 -6.429 351 HB3 PHE 50 2HB PHE 50 5.696 15.617 -6.714 352 HD1 PHE 50 1HD PHE 50 2.529 17.149 -5.520 353 HD2 PHE 50 2HD PHE 50 6.533 16.043 -4.594 354 HE1 PHE 50 1HE PHE 50 2.350 18.320 -3.364 355 HE2 PHE 50 2HE PHE 50 6.360 17.211 -2.436 356 HZ PHE 50 HZ PHE 50 4.267 18.351 -1.817 357 H THR 51 H THR 51 3.870 14.602 -9.246 358 HA THR 51 HA THR 51 5.044 13.768 -11.024 359 HB THR 51 HB THR 51 5.327 15.333 -12.908 360 HG1 THR 51 1HG THR 51 4.360 17.550 -12.281 361 HG21 THR 51 1HG2 THR 51 3.086 15.510 -13.342 362 HG22 THR 51 2HG2 THR 51 2.711 16.120 -11.730 363 HG23 THR 51 3HG2 THR 51 3.028 14.402 -11.972 364 H SER 52 H SER 52 6.632 14.776 -8.700 365 HA SER 52 HA SER 52 9.197 15.059 -10.117 366 HB2 SER 52 1HB SER 52 8.152 16.615 -7.771 367 HB3 SER 52 2HB SER 52 9.887 16.370 -7.966 368 HG SER 52 HG SER 52 9.223 18.291 -8.977 369 H SER 53 H SER 53 11.064 14.595 -8.492 370 HA SER 53 HA SER 53 10.459 12.002 -7.286 371 HB2 SER 53 1HB SER 53 12.311 12.032 -8.859 372 HB3 SER 53 2HB SER 53 13.098 13.326 -7.956 373 HG SER 53 HG SER 53 12.462 11.025 -6.537 374 HA PRO 54 HA PRO 54 10.474 14.248 -3.375 375 HB2 PRO 54 1HB PRO 54 9.398 12.204 -1.949 376 HB3 PRO 54 2HB PRO 54 8.428 13.295 -2.946 377 HG2 PRO 54 1HG PRO 54 9.431 10.545 -3.573 378 HG3 PRO 54 2HG PRO 54 7.836 11.252 -3.886 379 HD2 PRO 54 1HD PRO 54 9.734 11.032 -5.805 380 HD3 PRO 54 2HD PRO 54 8.559 12.363 -5.772 381 H GLY 55 H GLY 55 11.406 10.815 -3.673 382 HA2 GLY 55 1HA GLY 55 14.035 11.165 -2.785 383 HA3 GLY 55 2HA GLY 55 13.054 10.764 -1.383 384 H GLU 56 H GLU 56 14.369 8.843 -1.213 385 HA GLU 56 HA GLU 56 14.183 6.854 -3.296 386 HB2 GLU 56 1HB GLU 56 16.198 7.157 -1.823 387 HB3 GLU 56 2HB GLU 56 15.245 6.521 -0.489 388 HG2 GLU 56 1HG GLU 56 15.044 4.398 -1.537 389 HG3 GLU 56 2HG GLU 56 15.731 5.010 -3.040 390 H LYS 57 H LYS 57 13.373 6.701 0.174 391 HA LYS 57 HA LYS 57 10.985 5.134 -0.549 392 HB2 LYS 57 1HB LYS 57 12.827 4.713 1.812 393 HB3 LYS 57 2HB LYS 57 11.306 3.865 1.562 394 HG2 LYS 57 1HG LYS 57 13.425 3.773 -0.539 395 HG3 LYS 57 2HG LYS 57 13.540 2.739 0.887 396 HD2 LYS 57 1HD LYS 57 11.465 1.682 0.384 397 HD3 LYS 57 2HD LYS 57 11.101 2.860 -0.879 398 HE2 LYS 57 1HE LYS 57 11.824 0.880 -1.970 399 HE3 LYS 57 2HE LYS 57 13.146 2.040 -2.088 400 HZ1 LYS 57 1HZ LYS 57 14.313 0.254 -1.386 401 HZ2 LYS 57 2HZ LYS 57 12.997 -0.462 -0.601 402 HZ3 LYS 57 3HZ LYS 57 13.835 0.807 0.139 403 H VAL 58 H VAL 58 9.834 7.160 -0.476 404 HA VAL 58 HA VAL 58 9.569 8.390 2.166 405 HB VAL 58 HB VAL 58 8.157 10.076 0.954 406 HG11 VAL 58 1HG1 VAL 58 10.396 10.676 1.405 407 HG12 VAL 58 2HG1 VAL 58 11.015 9.615 0.139 408 HG13 VAL 58 3HG1 VAL 58 10.122 11.075 -0.290 409 HG21 VAL 58 1HG2 VAL 58 7.913 8.243 -0.987 410 HG22 VAL 58 2HG2 VAL 58 7.722 9.974 -1.266 411 HG23 VAL 58 3HG2 VAL 58 9.254 9.185 -1.641 412 H PHE 59 H PHE 59 7.778 6.522 -0.188 413 HA PHE 59 HA PHE 59 5.431 6.553 1.587 414 HB2 PHE 59 1HB PHE 59 5.758 6.267 -1.365 415 HB3 PHE 59 2HB PHE 59 4.411 5.434 -0.596 416 HD1 PHE 59 2HD PHE 59 6.023 8.799 -0.617 417 HD2 PHE 59 1HD PHE 59 2.415 6.548 -0.436 418 HE1 PHE 59 2HE PHE 59 4.722 10.887 -0.645 419 HE2 PHE 59 1HE PHE 59 1.108 8.633 -0.465 420 HZ PHE 59 HZ PHE 59 2.262 10.806 -0.568 421 H GLN 60 H GLN 60 4.584 4.671 2.374 422 HA GLN 60 HA GLN 60 5.975 2.174 1.672 423 HB2 GLN 60 1HB GLN 60 6.796 3.024 3.839 424 HB3 GLN 60 2HB GLN 60 5.148 3.026 4.453 425 HG2 GLN 60 1HG GLN 60 5.047 0.733 4.586 426 HG3 GLN 60 2HG GLN 60 6.308 0.502 3.376 427 HE21 GLN 60 1HE2 GLN 60 8.174 -0.164 4.135 428 HE22 GLN 60 2HE2 GLN 60 8.784 0.104 5.729 429 H VAL 61 H VAL 61 4.749 0.234 1.992 430 HA VAL 61 HA VAL 61 1.854 0.618 2.310 431 HB VAL 61 HB VAL 61 3.151 -0.946 0.072 432 HG11 VAL 61 1HG1 VAL 61 0.214 -0.567 0.639 433 HG12 VAL 61 2HG1 VAL 61 0.939 -1.538 -0.645 434 HG13 VAL 61 3HG1 VAL 61 1.126 -2.022 1.042 435 HG21 VAL 61 1HG2 VAL 61 1.582 1.620 0.140 436 HG22 VAL 61 2HG2 VAL 61 3.204 1.348 -0.497 437 HG23 VAL 61 3HG2 VAL 61 1.804 0.676 -1.333 438 H LYS 62 H LYS 62 0.819 -0.982 3.390 439 HA LYS 62 HA LYS 62 2.378 -3.385 4.079 440 HB2 LYS 62 1HB LYS 62 2.401 -2.106 6.061 441 HB3 LYS 62 2HB LYS 62 0.728 -1.605 5.857 442 HG2 LYS 62 1HG LYS 62 -0.108 -3.560 6.689 443 HG3 LYS 62 2HG LYS 62 1.301 -4.501 6.196 444 HD2 LYS 62 1HD LYS 62 1.426 -4.383 8.543 445 HD3 LYS 62 2HD LYS 62 2.593 -3.196 7.959 446 HE2 LYS 62 1HE LYS 62 0.909 -1.425 8.286 447 HE3 LYS 62 2HE LYS 62 -0.205 -2.628 8.932 448 HZ1 LYS 62 1HZ LYS 62 1.038 -1.334 10.635 449 HZ2 LYS 62 2HZ LYS 62 2.463 -2.073 10.103 450 HZ3 LYS 62 3HZ LYS 62 1.223 -3.010 10.771 451 H VAL 63 H VAL 63 1.331 -5.309 3.986 452 HA VAL 63 HA VAL 63 -1.525 -5.238 3.254 453 HB VAL 63 HB VAL 63 0.585 -7.191 2.325 454 HG11 VAL 63 1HG1 VAL 63 -2.064 -7.205 1.059 455 HG12 VAL 63 2HG1 VAL 63 -1.013 -8.548 1.514 456 HG13 VAL 63 3HG1 VAL 63 -2.035 -7.775 2.727 457 HG21 VAL 63 1HG2 VAL 63 0.932 -5.782 0.645 458 HG22 VAL 63 2HG2 VAL 63 -0.765 -5.926 0.185 459 HG23 VAL 63 3HG2 VAL 63 -0.260 -4.665 1.310 460 H SER 64 H SER 64 -2.772 -6.049 4.793 461 HA SER 64 HA SER 64 -1.753 -8.312 6.384 462 HB2 SER 64 1HB SER 64 -3.183 -5.826 7.239 463 HB3 SER 64 2HB SER 64 -3.458 -7.317 8.138 464 HG SER 64 HG SER 64 -1.662 -5.893 8.838 465 H ALA 65 H ALA 65 -3.081 -10.036 6.663 466 HA ALA 65 HA ALA 65 -5.663 -9.939 5.254 467 HB1 ALA 65 1HB ALA 65 -4.239 -12.478 5.954 468 HB2 ALA 65 2HB ALA 65 -5.413 -12.174 4.673 469 HB3 ALA 65 3HB ALA 65 -3.773 -11.541 4.534 470 HA PRO 66 HA PRO 66 -7.693 -10.424 9.149 471 HB2 PRO 66 1HB PRO 66 -10.126 -11.169 8.203 472 HB3 PRO 66 2HB PRO 66 -9.531 -9.507 8.122 473 HG2 PRO 66 1HG PRO 66 -9.559 -11.614 5.996 474 HG3 PRO 66 2HG PRO 66 -9.965 -9.892 5.870 475 HD2 PRO 66 1HD PRO 66 -7.574 -10.887 5.078 476 HD3 PRO 66 2HD PRO 66 -7.754 -9.251 5.744 477 H GLU 67 H GLU 67 -7.476 -12.959 6.764 478 HA GLU 67 HA GLU 67 -8.718 -15.067 8.068 479 HB2 GLU 67 1HB GLU 67 -6.176 -15.280 6.450 480 HB3 GLU 67 2HB GLU 67 -7.373 -16.540 6.714 481 HG2 GLU 67 1HG GLU 67 -9.026 -15.064 5.523 482 HG3 GLU 67 2HG GLU 67 -7.662 -14.038 5.080 483 H GLU 68 H GLU 68 -5.204 -14.429 8.081 484 HA GLU 68 HA GLU 68 -5.121 -15.422 10.847 485 HB2 GLU 68 1HB GLU 68 -3.042 -16.615 10.373 486 HB3 GLU 68 2HB GLU 68 -4.350 -17.213 9.362 487 HG2 GLU 68 1HG GLU 68 -3.401 -15.473 7.648 488 HG3 GLU 68 2HG GLU 68 -1.937 -15.645 8.614 489 H GLN 69 H GLN 69 -4.245 -13.987 12.173 490 HA GLN 69 HA GLN 69 -3.395 -11.492 11.631 491 HB2 GLN 69 1HB GLN 69 -2.190 -13.286 13.745 492 HB3 GLN 69 2HB GLN 69 -2.115 -11.529 13.732 493 HG2 GLN 69 1HG GLN 69 -4.788 -12.812 13.619 494 HG3 GLN 69 2HG GLN 69 -3.909 -12.843 15.147 495 HE21 GLN 69 1HE2 GLN 69 -6.249 -11.551 15.092 496 HE22 GLN 69 2HE2 GLN 69 -6.015 -9.841 15.149 497 H PHE 70 H PHE 70 -1.100 -14.190 12.079 498 HA PHE 70 HA PHE 70 1.192 -12.830 11.295 499 HB2 PHE 70 1HB PHE 70 1.682 -14.861 12.265 500 HB3 PHE 70 2HB PHE 70 0.400 -15.704 11.401 501 HD1 PHE 70 2HD PHE 70 3.611 -13.936 10.706 502 HD2 PHE 70 1HD PHE 70 1.001 -17.153 9.728 503 HE1 PHE 70 2HE PHE 70 5.263 -14.781 9.090 504 HE2 PHE 70 1HE PHE 70 2.649 -18.004 8.112 505 HZ PHE 70 HZ PHE 70 4.783 -16.817 7.790 506 H THR 71 H THR 71 1.213 -11.644 9.473 507 HA THR 71 HA THR 71 0.430 -12.968 6.959 508 HB THR 71 HB THR 71 0.657 -9.988 7.389 509 HG1 THR 71 1HG THR 71 -1.381 -9.977 8.048 510 HG21 THR 71 1HG2 THR 71 0.562 -10.076 5.142 511 HG22 THR 71 2HG2 THR 71 -1.149 -10.428 5.390 512 HG23 THR 71 3HG2 THR 71 -0.005 -11.746 5.136 513 H ARG 72 H ARG 72 2.236 -13.804 6.095 514 HA ARG 72 HA ARG 72 4.751 -12.343 6.251 515 HB2 ARG 72 1HB ARG 72 4.709 -14.779 6.681 516 HB3 ARG 72 2HB ARG 72 4.149 -15.045 5.036 517 HG2 ARG 72 1HG ARG 72 6.207 -14.248 4.129 518 HG3 ARG 72 2HG ARG 72 6.757 -13.712 5.717 519 HD2 ARG 72 1HD ARG 72 6.022 -16.572 5.377 520 HD3 ARG 72 2HD ARG 72 7.536 -16.015 4.666 521 HE ARG 72 HE ARG 72 7.027 -16.481 7.417 522 HH11 ARG 72 1HH1 ARG 72 8.750 -14.373 5.247 523 HH12 ARG 72 2HH1 ARG 72 9.982 -13.978 6.400 524 HH21 ARG 72 1HH2 ARG 72 8.643 -15.969 8.943 525 HH22 ARG 72 2HH2 ARG 72 9.921 -14.888 8.501 526 H VAL 73 H VAL 73 4.184 -10.581 4.883 527 HA VAL 73 HA VAL 73 4.209 -11.284 2.020 528 HB VAL 73 HB VAL 73 2.727 -8.986 3.306 529 HG11 VAL 73 1HG1 VAL 73 3.848 -8.659 0.997 530 HG12 VAL 73 2HG1 VAL 73 2.570 -9.724 0.409 531 HG13 VAL 73 3HG1 VAL 73 2.157 -8.202 1.199 532 HG21 VAL 73 1HG2 VAL 73 1.609 -11.133 3.604 533 HG22 VAL 73 2HG2 VAL 73 0.717 -10.113 2.475 534 HG23 VAL 73 3HG2 VAL 73 1.710 -11.438 1.870 535 H GLY 74 H GLY 74 5.871 -10.473 0.920 536 HA2 GLY 74 1HA GLY 74 7.561 -8.469 2.227 537 HA3 GLY 74 2HA GLY 74 8.025 -9.491 0.874 538 H VAL 75 H VAL 75 6.026 -6.720 1.786 539 HA VAL 75 HA VAL 75 5.568 -5.939 -0.945 540 HB VAL 75 HB VAL 75 5.026 -4.535 1.670 541 HG11 VAL 75 1HG1 VAL 75 4.825 -2.629 0.547 542 HG12 VAL 75 2HG1 VAL 75 5.159 -3.443 -0.983 543 HG13 VAL 75 3HG1 VAL 75 3.507 -3.358 -0.370 544 HG21 VAL 75 1HG2 VAL 75 2.949 -5.453 -0.266 545 HG22 VAL 75 2HG2 VAL 75 3.718 -6.630 0.800 546 HG23 VAL 75 3HG2 VAL 75 2.848 -5.257 1.484 547 H GLN 76 H GLN 76 6.801 -4.674 -2.178 548 HA GLN 76 HA GLN 76 8.821 -2.973 -0.891 549 HB2 GLN 76 1HB GLN 76 9.843 -5.095 -1.741 550 HB3 GLN 76 2HB GLN 76 9.331 -4.637 -3.360 551 HG2 GLN 76 1HG GLN 76 11.582 -4.017 -3.217 552 HG3 GLN 76 2HG GLN 76 10.672 -2.518 -3.037 553 HE21 GLN 76 1HE2 GLN 76 13.331 -3.879 -2.013 554 HE22 GLN 76 2HE2 GLN 76 13.396 -3.335 -0.374 555 H VAL 77 H VAL 77 9.265 -1.040 -1.913 556 HA VAL 77 HA VAL 77 7.437 -0.342 -4.115 557 HB VAL 77 HB VAL 77 7.634 1.984 -3.392 558 HG11 VAL 77 1HG1 VAL 77 6.446 1.790 -1.240 559 HG12 VAL 77 2HG1 VAL 77 5.837 0.662 -2.453 560 HG13 VAL 77 3HG1 VAL 77 6.898 0.087 -1.166 561 HG21 VAL 77 1HG2 VAL 77 8.696 2.140 -0.955 562 HG22 VAL 77 2HG2 VAL 77 9.688 0.828 -1.592 563 HG23 VAL 77 3HG2 VAL 77 9.650 2.386 -2.418 564 H LEU 78 H LEU 78 8.207 0.576 -5.959 565 HA LEU 78 HA LEU 78 11.078 1.171 -6.117 566 HB2 LEU 78 1HB LEU 78 10.514 -1.135 -6.981 567 HB3 LEU 78 2HB LEU 78 9.594 -0.338 -8.255 568 HG LEU 78 HG LEU 78 11.727 0.804 -8.941 569 HD11 LEU 78 1HD1 LEU 78 13.310 0.729 -7.343 570 HD12 LEU 78 2HD1 LEU 78 13.710 -0.813 -8.099 571 HD13 LEU 78 3HD1 LEU 78 12.699 -0.776 -6.654 572 HD21 LEU 78 1HD2 LEU 78 12.015 -2.177 -9.070 573 HD22 LEU 78 2HD2 LEU 78 12.392 -0.969 -10.299 574 HD23 LEU 78 3HD2 LEU 78 10.711 -1.346 -9.918 575 H ASP 79 H ASP 79 11.650 2.798 -7.531 576 HA ASP 79 HA ASP 79 9.530 4.612 -8.257 577 HB2 ASP 79 1HB ASP 79 11.224 6.198 -8.691 578 HB3 ASP 79 2HB ASP 79 11.819 5.265 -7.321 579 H ARG 80 H ARG 80 8.526 4.674 -10.149 580 HA ARG 80 HA ARG 80 9.757 3.291 -12.435 581 HB2 ARG 80 1HB ARG 80 6.925 3.711 -11.573 582 HB3 ARG 80 2HB ARG 80 7.272 3.512 -13.285 583 HG2 ARG 80 1HG ARG 80 8.616 1.415 -12.408 584 HG3 ARG 80 2HG ARG 80 7.481 1.558 -11.064 585 HD2 ARG 80 1HD ARG 80 6.421 0.110 -12.561 586 HD3 ARG 80 2HD ARG 80 5.660 1.673 -12.856 587 HE ARG 80 HE ARG 80 6.553 1.673 -14.966 588 HH11 ARG 80 1HH1 ARG 80 8.137 -0.762 -13.047 589 HH12 ARG 80 2HH1 ARG 80 8.993 -1.448 -14.388 590 HH21 ARG 80 1HH2 ARG 80 7.674 0.778 -16.740 591 HH22 ARG 80 2HH2 ARG 80 8.730 -0.570 -16.488 592 H LYS 81 H LYS 81 7.720 6.119 -11.691 593 HA LYS 81 HA LYS 81 8.831 7.441 -14.077 594 HB2 LYS 81 1HB LYS 81 6.299 8.188 -12.612 595 HB3 LYS 81 2HB LYS 81 6.841 8.780 -14.176 596 HG2 LYS 81 1HG LYS 81 6.371 5.861 -13.815 597 HG3 LYS 81 2HG LYS 81 4.992 6.945 -14.011 598 HD2 LYS 81 1HD LYS 81 7.235 7.269 -15.919 599 HD3 LYS 81 2HD LYS 81 6.256 5.809 -16.078 600 HE2 LYS 81 1HE LYS 81 5.011 7.175 -17.391 601 HE3 LYS 81 2HE LYS 81 4.294 7.604 -15.839 602 HZ1 LYS 81 1HZ LYS 81 4.769 9.638 -16.800 603 HZ2 LYS 81 2HZ LYS 81 6.240 9.121 -17.454 604 HZ3 LYS 81 3HZ LYS 81 6.105 9.398 -15.791 605 H ASP 82 H ASP 82 8.566 9.988 -13.731 606 HA ASP 82 HA ASP 82 10.495 10.688 -11.783 607 HB2 ASP 82 1HB ASP 82 9.801 11.856 -14.039 608 HB3 ASP 82 2HB ASP 82 8.691 12.743 -12.998 609 H GLY 83 H GLY 83 7.012 10.641 -11.788 610 HA2 GLY 83 1HA GLY 83 7.065 11.505 -8.972 611 HA3 GLY 83 2HA GLY 83 5.918 12.231 -10.088 612 H SER 84 H SER 84 6.920 8.845 -9.944 613 HA SER 84 HA SER 84 4.380 8.074 -8.753 614 HB2 SER 84 1HB SER 84 4.028 8.242 -11.255 615 HB3 SER 84 2HB SER 84 5.190 6.927 -11.431 616 HG SER 84 HG SER 84 3.761 5.547 -10.687 617 H PHE 85 H PHE 85 4.288 5.694 -8.359 618 HA PHE 85 HA PHE 85 6.902 4.394 -8.258 619 HB2 PHE 85 1HB PHE 85 5.178 5.010 -5.864 620 HB3 PHE 85 2HB PHE 85 6.361 3.707 -5.849 621 HD1 PHE 85 1HD PHE 85 8.781 4.268 -6.252 622 HD2 PHE 85 2HD PHE 85 5.819 7.233 -5.513 623 HE1 PHE 85 1HE PHE 85 10.545 5.875 -5.652 624 HE2 PHE 85 2HE PHE 85 7.578 8.846 -4.913 625 HZ PHE 85 HZ PHE 85 9.944 8.168 -4.983 626 H ILE 86 H ILE 86 6.733 2.083 -7.659 627 HA ILE 86 HA ILE 86 4.114 0.965 -8.423 628 HB ILE 86 HB ILE 86 5.810 0.694 -10.209 629 HG12 ILE 86 1HG1 ILE 86 5.664 -1.969 -10.103 630 HG13 ILE 86 2HG1 ILE 86 4.535 -1.603 -8.803 631 HG21 ILE 86 1HG2 ILE 86 7.617 0.347 -8.269 632 HG22 ILE 86 2HG2 ILE 86 7.281 -1.341 -8.649 633 HG23 ILE 86 3HG2 ILE 86 7.848 -0.248 -9.912 634 HD11 ILE 86 1HD1 ILE 86 4.264 -0.295 -11.476 635 HD12 ILE 86 2HD1 ILE 86 3.629 -1.914 -11.182 636 HD13 ILE 86 3HD1 ILE 86 3.044 -0.551 -10.228 637 H VAL 87 H VAL 87 3.299 -0.641 -7.189 638 HA VAL 87 HA VAL 87 4.848 -1.405 -4.815 639 HB VAL 87 HB VAL 87 1.880 -1.669 -5.318 640 HG11 VAL 87 1HG1 VAL 87 3.596 -2.865 -3.375 641 HG12 VAL 87 2HG1 VAL 87 2.513 -1.728 -2.569 642 HG13 VAL 87 3HG1 VAL 87 1.851 -3.027 -3.563 643 HG21 VAL 87 1HG2 VAL 87 1.767 0.144 -3.560 644 HG22 VAL 87 2HG2 VAL 87 3.497 0.379 -3.816 645 HG23 VAL 87 3HG2 VAL 87 2.365 0.643 -5.143 646 H ARG 88 H ARG 88 5.486 -3.445 -4.474 647 HA ARG 88 HA ARG 88 4.342 -5.574 -6.149 648 HB2 ARG 88 1HB ARG 88 7.277 -5.149 -5.559 649 HB3 ARG 88 2HB ARG 88 6.605 -6.553 -6.376 650 HG2 ARG 88 1HG ARG 88 5.734 -5.018 -8.139 651 HG3 ARG 88 2HG ARG 88 6.622 -3.710 -7.355 652 HD2 ARG 88 1HD ARG 88 8.002 -6.245 -8.155 653 HD3 ARG 88 2HD ARG 88 7.720 -4.962 -9.331 654 HE ARG 88 HE ARG 88 8.896 -3.752 -7.151 655 HH11 ARG 88 1HH1 ARG 88 9.723 -6.263 -9.416 656 HH12 ARG 88 2HH1 ARG 88 11.426 -5.958 -9.332 657 HH21 ARG 88 1HH2 ARG 88 11.136 -3.341 -7.031 658 HH22 ARG 88 2HH2 ARG 88 12.229 -4.297 -7.974 659 H TYR 89 H TYR 89 4.134 -7.571 -5.190 660 HA TYR 89 HA TYR 89 5.151 -7.940 -2.477 661 HB2 TYR 89 1HB TYR 89 3.072 -8.343 -1.479 662 HB3 TYR 89 2HB TYR 89 2.774 -6.930 -2.486 663 HD1 TYR 89 1HD TYR 89 2.094 -7.674 -5.031 664 HD2 TYR 89 2HD TYR 89 1.396 -9.914 -1.482 665 HE1 TYR 89 1HE TYR 89 0.247 -8.853 -6.146 666 HE2 TYR 89 2HE TYR 89 -0.453 -11.101 -2.588 667 HH TYR 89 HH TYR 89 -1.455 -10.274 -5.886 668 H ARG 90 H ARG 90 5.312 -10.105 -1.826 669 HA ARG 90 HA ARG 90 5.257 -12.006 -4.055 670 HB2 ARG 90 1HB ARG 90 7.369 -11.651 -2.746 671 HB3 ARG 90 2HB ARG 90 6.552 -12.335 -1.347 672 HG2 ARG 90 1HG ARG 90 6.117 -14.357 -2.919 673 HG3 ARG 90 2HG ARG 90 7.447 -13.674 -3.857 674 HD2 ARG 90 1HD ARG 90 7.634 -14.245 -0.908 675 HD3 ARG 90 2HD ARG 90 8.076 -15.422 -2.144 676 HE ARG 90 HE ARG 90 9.632 -13.217 -1.269 677 HH11 ARG 90 1HH1 ARG 90 8.822 -15.073 -4.101 678 HH12 ARG 90 2HH1 ARG 90 10.317 -14.737 -4.909 679 HH21 ARG 90 1HH2 ARG 90 11.604 -12.768 -2.322 680 HH22 ARG 90 2HH2 ARG 90 11.899 -13.427 -3.896 681 H MET 91 H MET 91 3.871 -13.662 -4.132 682 HA MET 91 HA MET 91 2.789 -14.952 -1.856 683 HB2 MET 91 1HB MET 91 1.528 -12.658 -2.088 684 HB3 MET 91 2HB MET 91 0.659 -13.494 -3.369 685 HG2 MET 91 1HG MET 91 -0.330 -14.981 -1.915 686 HG3 MET 91 2HG MET 91 0.913 -14.764 -0.685 687 HE1 MET 91 1HE MET 91 -1.661 -15.141 0.089 688 HE2 MET 91 2HE MET 91 -1.386 -14.073 1.466 689 HE3 MET 91 3HE MET 91 -2.769 -13.805 0.404 690 H TYR 92 H TYR 92 1.822 -16.878 -2.388 691 HA TYR 92 HA TYR 92 1.361 -17.404 -5.245 692 HB2 TYR 92 1HB TYR 92 2.687 -19.375 -3.381 693 HB3 TYR 92 2HB TYR 92 2.493 -19.511 -5.125 694 HD1 TYR 92 2HD TYR 92 3.659 -17.656 -6.545 695 HD2 TYR 92 1HD TYR 92 4.681 -18.561 -2.516 696 HE1 TYR 92 2HE TYR 92 5.862 -16.614 -6.876 697 HE2 TYR 92 1HE TYR 92 6.886 -17.520 -2.835 698 HH TYR 92 HH TYR 92 7.646 -15.640 -5.608 699 H ALA 93 H ALA 93 -0.801 -16.812 -4.001 700 HA ALA 93 HA ALA 93 -2.358 -19.172 -3.986 701 HB1 ALA 93 1HB ALA 93 -1.530 -19.674 -1.846 702 HB2 ALA 93 2HB ALA 93 -1.656 -17.997 -1.313 703 HB3 ALA 93 3HB ALA 93 -3.116 -18.952 -1.568 704 H SER 94 H SER 94 -4.562 -18.742 -4.036 705 HA SER 94 HA SER 94 -5.452 -16.392 -5.089 706 HB2 SER 94 1HB SER 94 -7.025 -18.273 -3.312 707 HB3 SER 94 2HB SER 94 -7.730 -17.066 -4.387 708 HG SER 94 HG SER 94 -6.726 -18.176 -6.134 709 H TYR 95 H TYR 95 -7.082 -14.848 -4.098 710 HA TYR 95 HA TYR 95 -6.220 -14.062 -1.393 711 HB2 TYR 95 1HB TYR 95 -7.088 -11.985 -3.355 712 HB3 TYR 95 2HB TYR 95 -5.970 -11.850 -2.002 713 HD1 TYR 95 2HD TYR 95 -3.775 -13.364 -2.301 714 HD2 TYR 95 1HD TYR 95 -6.194 -11.890 -5.475 715 HE1 TYR 95 2HE TYR 95 -1.874 -13.586 -3.845 716 HE2 TYR 95 1HE TYR 95 -4.300 -12.110 -7.029 717 HH TYR 95 HH TYR 95 -2.144 -13.592 -7.104 718 H LYS 96 H LYS 96 -8.026 -15.063 -0.460 719 HA LYS 96 HA LYS 96 -10.693 -14.532 -1.308 720 HB2 LYS 96 1HB LYS 96 -9.672 -16.466 0.186 721 HB3 LYS 96 2HB LYS 96 -10.088 -15.367 1.495 722 HG2 LYS 96 1HG LYS 96 -12.379 -15.455 0.983 723 HG3 LYS 96 2HG LYS 96 -12.080 -16.191 -0.594 724 HD2 LYS 96 1HD LYS 96 -12.799 -17.984 0.703 725 HD3 LYS 96 2HD LYS 96 -11.041 -18.128 0.762 726 HE2 LYS 96 1HE LYS 96 -11.305 -16.639 2.903 727 HE3 LYS 96 2HE LYS 96 -12.954 -17.262 2.882 728 HZ1 LYS 96 1HZ LYS 96 -10.433 -18.797 3.117 729 HZ2 LYS 96 2HZ LYS 96 -11.910 -19.533 2.745 730 HZ3 LYS 96 3HZ LYS 96 -11.715 -18.724 4.218 731 H ASN 97 H ASN 97 -8.558 -13.154 1.135 732 HA ASN 97 HA ASN 97 -10.113 -10.735 1.192 733 HB2 ASN 97 1HB ASN 97 -9.781 -12.129 3.840 734 HB3 ASN 97 2HB ASN 97 -10.815 -10.761 3.442 735 HD21 ASN 97 1HD2 ASN 97 -10.363 -14.211 3.040 736 HD22 ASN 97 2HD2 ASN 97 -12.016 -14.578 2.694 737 H LEU 98 H LEU 98 -8.711 -9.117 1.297 738 HA LEU 98 HA LEU 98 -6.253 -9.459 2.869 739 HB2 LEU 98 1HB LEU 98 -6.410 -8.233 0.120 740 HB3 LEU 98 2HB LEU 98 -4.970 -8.322 1.131 741 HG LEU 98 HG LEU 98 -6.430 -10.702 -0.014 742 HD11 LEU 98 1HD1 LEU 98 -4.202 -10.829 -1.327 743 HD12 LEU 98 2HD1 LEU 98 -4.089 -9.106 -0.969 744 HD13 LEU 98 3HD1 LEU 98 -5.466 -9.729 -1.877 745 HD21 LEU 98 1HD2 LEU 98 -3.749 -10.528 1.354 746 HD22 LEU 98 2HD2 LEU 98 -4.538 -11.984 0.749 747 HD23 LEU 98 3HD2 LEU 98 -5.232 -11.107 2.113 748 H LYS 99 H LYS 99 -5.210 -7.409 3.440 749 HA LYS 99 HA LYS 99 -7.116 -5.164 3.531 750 HB2 LYS 99 1HB LYS 99 -6.697 -6.519 5.713 751 HB3 LYS 99 2HB LYS 99 -5.150 -5.683 5.740 752 HG2 LYS 99 1HG LYS 99 -6.507 -3.530 5.545 753 HG3 LYS 99 2HG LYS 99 -7.906 -4.524 5.957 754 HD2 LYS 99 1HD LYS 99 -5.397 -4.372 7.623 755 HD3 LYS 99 2HD LYS 99 -6.829 -3.379 7.905 756 HE2 LYS 99 1HE LYS 99 -8.167 -5.363 8.282 757 HE3 LYS 99 2HE LYS 99 -6.791 -6.396 7.896 758 HZ1 LYS 99 1HZ LYS 99 -5.677 -5.732 9.839 759 HZ2 LYS 99 2HZ LYS 99 -7.266 -6.043 10.325 760 HZ3 LYS 99 3HZ LYS 99 -6.740 -4.447 10.125 761 H VAL 100 H VAL 100 -6.356 -3.468 2.470 762 HA VAL 100 HA VAL 100 -3.505 -3.222 1.948 763 HB VAL 100 HB VAL 100 -5.674 -1.349 1.013 764 HG11 VAL 100 1HG1 VAL 100 -2.939 -1.182 0.829 765 HG12 VAL 100 2HG1 VAL 100 -3.394 -1.893 -0.721 766 HG13 VAL 100 3HG1 VAL 100 -4.093 -0.354 -0.216 767 HG21 VAL 100 1HG2 VAL 100 -6.522 -3.207 0.031 768 HG22 VAL 100 2HG2 VAL 100 -5.251 -2.874 -1.146 769 HG23 VAL 100 3HG2 VAL 100 -4.994 -4.083 0.112 770 H GLU 101 H GLU 101 -2.220 -1.511 2.583 771 HA GLU 101 HA GLU 101 -3.367 0.557 4.289 772 HB2 GLU 101 1HB GLU 101 -1.447 -1.549 5.191 773 HB3 GLU 101 2HB GLU 101 -1.305 0.071 5.858 774 HG2 GLU 101 1HG GLU 101 -3.483 -0.020 6.782 775 HG3 GLU 101 2HG GLU 101 -3.869 -1.492 5.893 776 H ILE 102 H ILE 102 -2.428 2.482 3.977 777 HA ILE 102 HA ILE 102 0.288 2.604 2.896 778 HB ILE 102 HB ILE 102 -1.888 4.278 1.668 779 HG12 ILE 102 1HG1 ILE 102 -1.392 2.530 -0.293 780 HG13 ILE 102 2HG1 ILE 102 -1.099 1.468 1.080 781 HG21 ILE 102 1HG2 ILE 102 -0.307 4.841 0.048 782 HG22 ILE 102 2HG2 ILE 102 0.610 4.846 1.553 783 HG23 ILE 102 3HG2 ILE 102 0.731 3.474 0.452 784 HD11 ILE 102 1HD1 ILE 102 -3.440 1.514 0.074 785 HD12 ILE 102 2HD1 ILE 102 -3.298 1.640 1.828 786 HD13 ILE 102 3HD1 ILE 102 -3.610 3.082 0.862 787 H LYS 103 H LYS 103 1.375 3.840 4.267 788 HA LYS 103 HA LYS 103 0.105 6.308 5.245 789 HB2 LYS 103 1HB LYS 103 1.925 4.501 6.846 790 HB3 LYS 103 2HB LYS 103 1.222 6.014 7.402 791 HG2 LYS 103 1HG LYS 103 -0.999 5.068 7.281 792 HG3 LYS 103 2HG LYS 103 -0.349 3.568 6.614 793 HD2 LYS 103 1HD LYS 103 1.093 3.546 8.782 794 HD3 LYS 103 2HD LYS 103 -0.132 4.662 9.391 795 HE2 LYS 103 1HE LYS 103 -1.843 3.071 9.179 796 HE3 LYS 103 2HE LYS 103 -0.874 2.044 8.122 797 HZ1 LYS 103 1HZ LYS 103 0.426 2.394 10.610 798 HZ2 LYS 103 2HZ LYS 103 -0.094 0.963 9.874 799 HZ3 LYS 103 3HZ LYS 103 -1.151 1.836 10.865 800 H PHE 104 H PHE 104 1.763 7.895 6.079 801 HA PHE 104 HA PHE 104 4.383 7.657 4.824 802 HB2 PHE 104 1HB PHE 104 3.492 8.772 3.023 803 HB3 PHE 104 2HB PHE 104 2.255 9.568 3.991 804 HD1 PHE 104 1HD PHE 104 5.735 9.692 2.861 805 HD2 PHE 104 2HD PHE 104 2.690 11.660 5.090 806 HE1 PHE 104 1HE PHE 104 7.090 11.745 2.891 807 HE2 PHE 104 2HE PHE 104 4.040 13.717 5.124 808 HZ PHE 104 HZ PHE 104 6.242 13.762 4.023 809 H GLN 105 H GLN 105 5.803 8.149 6.347 810 HA GLN 105 HA GLN 105 6.687 8.963 8.293 811 HB2 GLN 105 1HB GLN 105 5.509 11.436 7.029 812 HB3 GLN 105 2HB GLN 105 6.547 11.488 8.447 813 HG2 GLN 105 1HG GLN 105 8.144 10.073 6.897 814 HG3 GLN 105 2HG GLN 105 7.213 10.863 5.625 815 HE21 GLN 105 1HE2 GLN 105 9.865 11.341 5.795 816 HE22 GLN 105 2HE2 GLN 105 10.154 12.949 6.354 817 H GLY 106 H GLY 106 3.989 7.894 8.516 818 HA2 GLY 106 1HA GLY 106 2.666 7.597 10.421 819 HA3 GLY 106 2HA GLY 106 3.335 9.078 11.089 820 H GLN 107 H GLN 107 1.977 8.905 7.871 821 HA GLN 107 HA GLN 107 -0.483 10.197 8.795 822 HB2 GLN 107 1HB GLN 107 1.337 11.309 6.653 823 HB3 GLN 107 2HB GLN 107 -0.279 11.907 7.008 824 HG2 GLN 107 1HG GLN 107 0.404 12.603 9.203 825 HG3 GLN 107 2HG GLN 107 1.993 11.873 8.979 826 HE21 GLN 107 1HE2 GLN 107 3.559 13.009 7.992 827 HE22 GLN 107 2HE2 GLN 107 3.360 14.599 7.348 828 H HIS 108 H HIS 108 -2.058 8.943 8.060 829 HA HIS 108 HA HIS 108 -1.862 7.052 6.033 830 HB2 HIS 108 1HB HIS 108 -4.125 8.373 7.454 831 HB3 HIS 108 2HB HIS 108 -4.494 7.458 5.995 832 HD1 HIS 108 1HD HIS 108 -4.231 4.899 6.101 833 HD2 HIS 108 2HD HIS 108 -3.299 6.839 9.655 834 HE1 HIS 108 1HE HIS 108 -4.088 3.087 7.839 835 HE2 HIS 108 2HE HIS 108 -3.607 4.293 9.997 836 H VAL 109 H VAL 109 -2.327 7.020 3.870 837 HA VAL 109 HA VAL 109 -2.454 9.635 2.563 838 HB VAL 109 HB VAL 109 -1.890 6.919 1.367 839 HG11 VAL 109 1HG1 VAL 109 -1.958 7.859 -0.649 840 HG12 VAL 109 2HG1 VAL 109 -2.697 9.269 0.112 841 HG13 VAL 109 3HG1 VAL 109 -0.950 9.207 -0.123 842 HG21 VAL 109 1HG2 VAL 109 -0.233 8.052 3.049 843 HG22 VAL 109 2HG2 VAL 109 0.367 7.323 1.559 844 HG23 VAL 109 3HG2 VAL 109 0.155 9.070 1.662 845 H ALA 110 H ALA 110 -3.985 6.428 2.298 846 HA ALA 110 HA ALA 110 -6.306 7.734 1.041 847 HB1 ALA 110 1HB ALA 110 -6.170 6.163 -0.518 848 HB2 ALA 110 2HB ALA 110 -4.832 5.392 0.335 849 HB3 ALA 110 3HB ALA 110 -6.495 4.942 0.713 850 H LYS 111 H LYS 111 -8.280 5.993 1.370 851 HA LYS 111 HA LYS 111 -8.931 6.260 4.148 852 HB2 LYS 111 1HB LYS 111 -10.340 5.364 1.686 853 HB3 LYS 111 2HB LYS 111 -10.971 4.798 3.227 854 HG2 LYS 111 1HG LYS 111 -10.397 7.695 2.940 855 HG3 LYS 111 2HG LYS 111 -11.808 7.036 2.110 856 HD2 LYS 111 1HD LYS 111 -11.368 6.341 4.975 857 HD3 LYS 111 2HD LYS 111 -11.984 7.945 4.573 858 HE2 LYS 111 1HE LYS 111 -13.895 7.039 3.505 859 HE3 LYS 111 2HE LYS 111 -13.218 5.412 3.519 860 HZ1 LYS 111 1HZ LYS 111 -13.408 5.372 5.913 861 HZ2 LYS 111 2HZ LYS 111 -14.915 5.720 5.228 862 HZ3 LYS 111 3HZ LYS 111 -14.001 6.957 5.932 863 H SER 112 H SER 112 -6.741 4.726 4.166 864 HA SER 112 HA SER 112 -7.529 1.924 4.278 865 HB2 SER 112 1HB SER 112 -4.956 3.410 4.246 866 HB3 SER 112 2HB SER 112 -4.974 1.871 5.108 867 HG SER 112 HG SER 112 -5.061 2.371 2.424 868 HA PRO 113 HA PRO 113 -6.047 0.218 5.340 869 HB2 PRO 113 1HB PRO 113 -7.221 -1.837 6.669 870 HB3 PRO 113 2HB PRO 113 -5.695 -1.108 7.182 871 HG2 PRO 113 1HG PRO 113 -8.464 -0.633 8.217 872 HG3 PRO 113 2HG PRO 113 -6.950 -0.828 9.120 873 HD2 PRO 113 1HD PRO 113 -8.056 1.595 8.636 874 HD3 PRO 113 2HD PRO 113 -6.301 1.352 8.749 875 H TYR 114 H TYR 114 -7.106 -1.351 3.956 876 HA TYR 114 HA TYR 114 -9.896 -0.605 3.394 877 HB2 TYR 114 1HB TYR 114 -7.621 -1.480 1.651 878 HB3 TYR 114 2HB TYR 114 -9.277 -1.756 1.122 879 HD1 TYR 114 1HD TYR 114 -10.827 0.248 0.939 880 HD2 TYR 114 2HD TYR 114 -6.615 0.628 1.405 881 HE1 TYR 114 1HE TYR 114 -10.949 2.558 0.101 882 HE2 TYR 114 2HE TYR 114 -6.726 2.939 0.570 883 HH TYR 114 HH TYR 114 -8.895 4.173 -1.144 884 H ILE 115 H ILE 115 -11.306 -2.022 4.170 885 HA ILE 115 HA ILE 115 -10.564 -4.836 4.416 886 HB ILE 115 HB ILE 115 -13.139 -3.569 5.333 887 HG12 ILE 115 1HG1 ILE 115 -11.236 -2.365 6.333 888 HG13 ILE 115 2HG1 ILE 115 -12.109 -3.306 7.538 889 HG21 ILE 115 1HG2 ILE 115 -12.280 -5.657 7.014 890 HG22 ILE 115 2HG2 ILE 115 -13.651 -5.650 5.907 891 HG23 ILE 115 3HG2 ILE 115 -12.077 -6.223 5.356 892 HD11 ILE 115 1HD1 ILE 115 -9.980 -4.861 6.402 893 HD12 ILE 115 2HD1 ILE 115 -9.373 -3.326 7.024 894 HD13 ILE 115 3HD1 ILE 115 -10.275 -4.412 8.081 895 H LEU 116 H LEU 116 -10.795 -5.865 2.511 896 HA LEU 116 HA LEU 116 -13.383 -5.595 1.127 897 HB2 LEU 116 1HB LEU 116 -10.658 -6.225 0.009 898 HB3 LEU 116 2HB LEU 116 -12.156 -6.356 -0.911 899 HG LEU 116 HG LEU 116 -12.385 -3.815 -0.172 900 HD11 LEU 116 1HD1 LEU 116 -10.467 -3.529 1.132 901 HD12 LEU 116 2HD1 LEU 116 -10.046 -2.819 -0.425 902 HD13 LEU 116 3HD1 LEU 116 -9.453 -4.424 0.000 903 HD21 LEU 116 1HD2 LEU 116 -12.010 -3.347 -2.349 904 HD22 LEU 116 2HD2 LEU 116 -11.958 -5.104 -2.489 905 HD23 LEU 116 3HD2 LEU 116 -10.457 -4.183 -2.376 906 H LYS 117 H LYS 117 -14.521 -7.257 1.993 907 HA LYS 117 HA LYS 117 -13.414 -9.955 1.587 908 HB2 LYS 117 1HB LYS 117 -14.429 -10.722 3.627 909 HB3 LYS 117 2HB LYS 117 -13.442 -9.314 3.998 910 HG2 LYS 117 1HG LYS 117 -15.328 -7.933 4.267 911 HG3 LYS 117 2HG LYS 117 -16.399 -9.117 3.515 912 HD2 LYS 117 1HD LYS 117 -15.951 -10.652 5.411 913 HD3 LYS 117 2HD LYS 117 -14.998 -9.377 6.175 914 HE2 LYS 117 1HE LYS 117 -16.866 -8.041 6.551 915 HE3 LYS 117 2HE LYS 117 -17.827 -8.874 5.331 916 HZ1 LYS 117 1HZ LYS 117 -17.156 -9.749 8.066 917 HZ2 LYS 117 2HZ LYS 117 -17.586 -10.881 6.885 918 HZ3 LYS 117 3HZ LYS 117 -18.673 -9.660 7.320 919 H GLY 118 H GLY 118 -15.247 -11.641 1.669 920 HA2 GLY 118 1HA GLY 118 -17.755 -11.759 1.348 921 HA3 GLY 118 2HA GLY 118 -17.493 -10.579 0.073 922 H SER 119 H SER 119 -18.784 -12.853 -0.572 923 HA SER 119 HA SER 119 -16.755 -14.384 -2.065 924 HB2 SER 119 1HB SER 119 -19.390 -15.410 -0.980 925 HB3 SER 119 2HB SER 119 -18.224 -16.347 -1.914 926 HG SER 119 HG SER 119 -18.095 -16.593 0.422 927 H GLY 120 H GLY 120 -17.366 -15.139 -4.159 928 HA2 GLY 120 1HA GLY 120 -18.555 -13.287 -5.813 929 HA3 GLY 120 2HA GLY 120 -18.390 -14.990 -6.212 930 HA PRO 121 HA PRO 121 -22.898 -13.593 -5.181 931 HB2 PRO 121 1HB PRO 121 -23.732 -12.559 -7.549 932 HB3 PRO 121 2HB PRO 121 -23.043 -11.568 -6.258 933 HG2 PRO 121 1HG PRO 121 -21.733 -12.639 -8.727 934 HG3 PRO 121 2HG PRO 121 -21.597 -11.029 -7.997 935 HD2 PRO 121 1HD PRO 121 -19.708 -12.940 -7.670 936 HD3 PRO 121 2HD PRO 121 -20.073 -11.734 -6.419 937 H SER 122 H SER 122 -21.735 -14.600 -8.399 938 HA SER 122 HA SER 122 -22.832 -17.196 -8.203 939 HB2 SER 122 1HB SER 122 -24.557 -16.914 -10.037 940 HB3 SER 122 2HB SER 122 -24.988 -16.204 -8.482 941 HG SER 122 HG SER 122 -25.406 -14.760 -10.188 942 H SER 123 H SER 123 -22.943 -18.204 -10.538 943 HA SER 123 HA SER 123 -20.522 -17.289 -11.940 944 HB2 SER 123 1HB SER 123 -20.210 -19.578 -12.676 945 HB3 SER 123 2HB SER 123 -20.434 -19.569 -10.927 946 HG SER 123 HG SER 123 -21.949 -20.733 -12.863 947 H GLY 124 H GLY 124 -20.497 -17.136 -14.182 948 HA2 GLY 124 1HA GLY 124 -22.947 -17.692 -15.661 949 HA3 GLY 124 2HA GLY 124 -22.463 -16.005 -15.567 Start of MODEL 7 1 H1 GLY 1 H GLY 1 31.093 12.541 19.675 2 HA2 GLY 1 1HA GLY 1 31.890 14.702 18.595 3 HA3 GLY 1 2HA GLY 1 32.329 13.668 17.244 4 H SER 2 H SER 2 30.100 11.966 17.231 5 HA SER 2 HA SER 2 28.185 11.952 15.934 6 HB2 SER 2 1HB SER 2 26.254 12.831 17.246 7 HB3 SER 2 2HB SER 2 27.339 11.825 18.204 8 HG SER 2 HG SER 2 26.554 14.160 18.865 9 H SER 3 H SER 3 29.881 13.884 14.904 10 HA SER 3 HA SER 3 28.526 16.395 14.616 11 HB2 SER 3 1HB SER 3 30.870 15.200 13.121 12 HB3 SER 3 2HB SER 3 30.287 16.850 12.902 13 HG SER 3 HG SER 3 30.581 16.824 15.379 14 H GLY 4 H GLY 4 27.859 17.270 12.504 15 HA2 GLY 4 1HA GLY 4 27.226 15.455 10.370 16 HA3 GLY 4 2HA GLY 4 25.815 15.894 11.321 17 H SER 5 H SER 5 25.599 16.561 8.805 18 HA SER 5 HA SER 5 25.811 19.467 8.849 19 HB2 SER 5 1HB SER 5 27.812 18.272 7.603 20 HB3 SER 5 2HB SER 5 26.626 18.115 6.308 21 HG SER 5 HG SER 5 27.167 20.579 7.591 22 H SER 6 H SER 6 24.009 20.391 8.109 23 HA SER 6 HA SER 6 22.438 19.273 5.994 24 HB2 SER 6 1HB SER 6 20.362 18.997 7.368 25 HB3 SER 6 2HB SER 6 21.620 17.818 7.742 26 HG SER 6 HG SER 6 21.286 20.225 9.195 27 H GLY 7 H GLY 7 20.308 20.568 5.782 28 HA2 GLY 7 1HA GLY 7 20.137 23.132 6.995 29 HA3 GLY 7 2HA GLY 7 20.908 23.250 5.420 30 H GLU 8 H GLU 8 17.967 22.296 7.104 31 HA GLU 8 HA GLU 8 16.519 22.308 4.550 32 HB2 GLU 8 1HB GLU 8 14.728 21.161 5.718 33 HB3 GLU 8 2HB GLU 8 16.247 20.317 5.984 34 HG2 GLU 8 1HG GLU 8 16.423 21.513 8.176 35 HG3 GLU 8 2HG GLU 8 14.783 22.101 7.907 36 H THR 9 H THR 9 15.349 24.018 4.010 37 HA THR 9 HA THR 9 14.268 25.737 6.138 38 HB THR 9 HB THR 9 16.233 26.878 5.276 39 HG1 THR 9 1HG THR 9 13.988 27.947 5.549 40 HG21 THR 9 1HG2 THR 9 16.421 27.529 2.936 41 HG22 THR 9 2HG2 THR 9 14.915 26.690 2.565 42 HG23 THR 9 3HG2 THR 9 16.331 25.774 3.078 43 H GLY 10 H GLY 10 12.162 26.155 5.924 44 HA2 GLY 10 1HA GLY 10 10.537 24.965 4.022 45 HA3 GLY 10 2HA GLY 10 10.066 26.343 5.005 46 H GLY 11 H GLY 11 9.963 25.394 1.989 47 HA2 GLY 11 1HA GLY 11 9.886 28.063 0.942 48 HA3 GLY 11 2HA GLY 11 11.258 27.150 0.333 49 H GLU 12 H GLU 12 10.320 24.681 -0.099 50 HA GLU 12 HA GLU 12 8.722 25.033 -2.441 51 HB2 GLU 12 1HB GLU 12 8.964 22.634 -2.741 52 HB3 GLU 12 2HB GLU 12 10.511 23.343 -2.301 53 HG2 GLU 12 1HG GLU 12 9.905 22.668 0.101 54 HG3 GLU 12 2HG GLU 12 8.693 21.633 -0.653 55 H ARG 13 H ARG 13 6.895 23.286 -2.773 56 HA ARG 13 HA ARG 13 4.722 24.073 -1.188 57 HB2 ARG 13 1HB ARG 13 5.181 22.017 -3.288 58 HB3 ARG 13 2HB ARG 13 3.746 21.842 -2.287 59 HG2 ARG 13 1HG ARG 13 2.972 23.062 -4.086 60 HG3 ARG 13 2HG ARG 13 3.308 24.314 -2.888 61 HD2 ARG 13 1HD ARG 13 5.226 23.480 -5.059 62 HD3 ARG 13 2HD ARG 13 4.118 24.846 -5.187 63 HE ARG 13 HE ARG 13 5.639 25.122 -2.845 64 HH11 ARG 13 1HH1 ARG 13 6.006 25.237 -6.305 65 HH12 ARG 13 2HH1 ARG 13 7.333 26.350 -6.258 66 HH21 ARG 13 1HH2 ARG 13 7.385 26.588 -2.770 67 HH22 ARG 13 2HH2 ARG 13 8.117 27.117 -4.246 68 H GLN 14 H GLN 14 3.232 22.346 -0.144 69 HA GLN 14 HA GLN 14 4.884 20.742 1.691 70 HB2 GLN 14 1HB GLN 14 2.127 21.838 2.246 71 HB3 GLN 14 2HB GLN 14 3.227 21.087 3.395 72 HG2 GLN 14 1HG GLN 14 4.799 23.069 2.665 73 HG3 GLN 14 2HG GLN 14 3.263 23.821 2.238 74 HE21 GLN 14 1HE2 GLN 14 4.111 25.314 3.950 75 HE22 GLN 14 2HE2 GLN 14 3.656 24.976 5.582 76 H LEU 15 H LEU 15 4.861 18.751 0.778 77 HA LEU 15 HA LEU 15 2.829 17.552 -0.663 78 HB2 LEU 15 1HB LEU 15 4.838 16.435 -0.773 79 HB3 LEU 15 2HB LEU 15 5.098 16.518 0.968 80 HG LEU 15 HG LEU 15 3.473 14.748 1.321 81 HD11 LEU 15 1HD1 LEU 15 3.156 13.874 -1.402 82 HD12 LEU 15 2HD1 LEU 15 2.514 15.503 -1.189 83 HD13 LEU 15 3HD1 LEU 15 1.931 14.186 -0.171 84 HD21 LEU 15 1HD2 LEU 15 5.075 13.564 -0.853 85 HD22 LEU 15 2HD2 LEU 15 4.923 13.087 0.838 86 HD23 LEU 15 3HD2 LEU 15 5.976 14.430 0.391 87 H SER 16 H SER 16 0.837 16.970 -0.144 88 HA SER 16 HA SER 16 0.214 16.444 2.684 89 HB2 SER 16 1HB SER 16 -0.950 18.368 1.484 90 HB3 SER 16 2HB SER 16 -1.784 17.142 0.530 91 HG SER 16 HG SER 16 -2.362 18.016 2.982 92 HA PRO 17 HA PRO 17 -0.318 12.217 1.378 93 HB2 PRO 17 1HB PRO 17 -1.060 11.273 3.813 94 HB3 PRO 17 2HB PRO 17 0.618 11.639 3.396 95 HG2 PRO 17 1HG PRO 17 -1.355 13.286 4.931 96 HG3 PRO 17 2HG PRO 17 0.362 12.993 5.269 97 HD2 PRO 17 1HD PRO 17 -0.527 15.271 4.104 98 HD3 PRO 17 2HD PRO 17 1.060 14.566 3.735 99 H GLU 18 H GLU 18 -2.708 13.826 3.473 100 HA GLU 18 HA GLU 18 -4.857 12.117 2.997 101 HB2 GLU 18 1HB GLU 18 -6.287 14.041 3.653 102 HB3 GLU 18 2HB GLU 18 -4.953 13.757 4.762 103 HG2 GLU 18 1HG GLU 18 -3.696 15.572 3.681 104 HG3 GLU 18 2HG GLU 18 -5.079 15.879 2.632 105 H LYS 19 H LYS 19 -3.694 14.892 1.163 106 HA LYS 19 HA LYS 19 -5.878 15.011 -0.645 107 HB2 LYS 19 1HB LYS 19 -3.045 16.037 -0.798 108 HB3 LYS 19 2HB LYS 19 -4.224 16.314 -2.073 109 HG2 LYS 19 1HG LYS 19 -4.986 17.051 0.698 110 HG3 LYS 19 2HG LYS 19 -3.807 18.064 -0.138 111 HD2 LYS 19 1HD LYS 19 -6.118 18.865 -0.441 112 HD3 LYS 19 2HD LYS 19 -5.359 18.412 -1.969 113 HE2 LYS 19 1HE LYS 19 -6.567 16.365 -2.053 114 HE3 LYS 19 2HE LYS 19 -7.135 16.558 -0.396 115 HZ1 LYS 19 1HZ LYS 19 -8.399 18.508 -1.120 116 HZ2 LYS 19 2HZ LYS 19 -8.877 17.110 -1.944 117 HZ3 LYS 19 3HZ LYS 19 -7.894 18.251 -2.715 118 H SER 20 H SER 20 -2.573 13.726 -1.033 119 HA SER 20 HA SER 20 -2.533 12.767 -3.523 120 HB2 SER 20 1HB SER 20 -1.704 11.225 -1.054 121 HB3 SER 20 2HB SER 20 -1.228 10.802 -2.699 122 HG SER 20 HG SER 20 -0.723 13.341 -1.550 123 H GLU 21 H GLU 21 -3.231 10.959 -4.682 124 HA GLU 21 HA GLU 21 -5.518 9.531 -3.492 125 HB2 GLU 21 1HB GLU 21 -5.149 10.211 -6.412 126 HB3 GLU 21 2HB GLU 21 -6.559 9.466 -5.673 127 HG2 GLU 21 1HG GLU 21 -6.777 11.582 -4.296 128 HG3 GLU 21 2HG GLU 21 -5.587 12.289 -5.387 129 H ILE 22 H ILE 22 -5.633 7.346 -3.734 130 HA ILE 22 HA ILE 22 -3.379 6.057 -5.130 131 HB ILE 22 HB ILE 22 -4.815 5.114 -2.646 132 HG12 ILE 22 1HG1 ILE 22 -1.998 6.116 -3.107 133 HG13 ILE 22 2HG1 ILE 22 -3.257 6.913 -2.169 134 HG21 ILE 22 1HG2 ILE 22 -2.506 3.596 -3.065 135 HG22 ILE 22 2HG2 ILE 22 -4.180 3.065 -3.220 136 HG23 ILE 22 3HG2 ILE 22 -3.314 3.672 -4.631 137 HD11 ILE 22 1HD1 ILE 22 -1.401 4.819 -1.403 138 HD12 ILE 22 2HD1 ILE 22 -2.331 5.936 -0.404 139 HD13 ILE 22 3HD1 ILE 22 -3.072 4.444 -0.984 140 H TRP 23 H TRP 23 -4.320 5.536 -7.047 141 HA TRP 23 HA TRP 23 -6.815 3.978 -6.957 142 HB2 TRP 23 1HB TRP 23 -7.285 4.686 -9.163 143 HB3 TRP 23 2HB TRP 23 -6.690 6.124 -8.337 144 HD1 TRP 23 HD TRP 23 -5.693 3.592 -11.032 145 HE1 TRP 23 1HE TRP 23 -3.742 4.572 -12.396 146 HE3 TRP 23 3HE TRP 23 -4.739 7.749 -8.213 147 HZ2 TRP 23 2HZ TRP 23 -2.026 6.810 -12.291 148 HZ3 TRP 23 3HZ TRP 23 -2.925 9.257 -8.913 149 HH2 TRP 23 HH TRP 23 -1.597 8.795 -10.910 150 H GLY 24 H GLY 24 -7.007 2.136 -8.388 151 HA2 GLY 24 1HA GLY 24 -5.164 0.956 -9.986 152 HA3 GLY 24 2HA GLY 24 -4.594 0.549 -8.374 153 HA PRO 25 HA PRO 25 -8.116 -2.283 -9.961 154 HB2 PRO 25 1HB PRO 25 -6.640 -4.357 -10.906 155 HB3 PRO 25 2HB PRO 25 -7.165 -3.009 -11.923 156 HG2 PRO 25 1HG PRO 25 -4.512 -3.476 -10.616 157 HG3 PRO 25 2HG PRO 25 -4.866 -2.897 -12.254 158 HD2 PRO 25 1HD PRO 25 -4.165 -1.229 -10.239 159 HD3 PRO 25 2HD PRO 25 -5.269 -0.742 -11.541 160 H GLY 26 H GLY 26 -5.503 -2.252 -7.858 161 HA2 GLY 26 1HA GLY 26 -5.884 -4.878 -6.718 162 HA3 GLY 26 2HA GLY 26 -4.840 -3.608 -6.096 163 H LEU 27 H LEU 27 -7.285 -1.768 -6.289 164 HA LEU 27 HA LEU 27 -8.274 -2.407 -3.621 165 HB2 LEU 27 1HB LEU 27 -8.741 0.044 -5.312 166 HB3 LEU 27 2HB LEU 27 -9.172 -0.152 -3.614 167 HG LEU 27 HG LEU 27 -6.365 -0.077 -4.722 168 HD11 LEU 27 1HD1 LEU 27 -7.955 1.965 -3.177 169 HD12 LEU 27 2HD1 LEU 27 -7.411 2.097 -4.848 170 HD13 LEU 27 3HD1 LEU 27 -6.232 2.078 -3.537 171 HD21 LEU 27 1HD2 LEU 27 -7.487 -0.521 -1.983 172 HD22 LEU 27 2HD2 LEU 27 -5.905 0.229 -2.195 173 HD23 LEU 27 3HD2 LEU 27 -6.203 -1.393 -2.820 174 H LYS 28 H LYS 28 -9.132 -3.284 -6.608 175 HA LYS 28 HA LYS 28 -11.935 -2.724 -6.619 176 HB2 LYS 28 1HB LYS 28 -10.272 -4.714 -8.171 177 HB3 LYS 28 2HB LYS 28 -11.988 -4.441 -8.449 178 HG2 LYS 28 1HG LYS 28 -10.017 -2.190 -8.587 179 HG3 LYS 28 2HG LYS 28 -10.304 -3.253 -9.967 180 HD2 LYS 28 1HD LYS 28 -12.434 -2.478 -10.294 181 HD3 LYS 28 2HD LYS 28 -12.660 -2.064 -8.593 182 HE2 LYS 28 1HE LYS 28 -11.157 -0.152 -8.863 183 HE3 LYS 28 2HE LYS 28 -10.926 -0.570 -10.560 184 HZ1 LYS 28 1HZ LYS 28 -13.683 -0.257 -9.725 185 HZ2 LYS 28 2HZ LYS 28 -12.906 0.287 -11.126 186 HZ3 LYS 28 3HZ LYS 28 -12.760 1.160 -9.685 187 H ALA 29 H ALA 29 -13.429 -4.772 -6.947 188 HA ALA 29 HA ALA 29 -13.265 -6.241 -4.442 189 HB1 ALA 29 1HB ALA 29 -15.534 -6.921 -6.093 190 HB2 ALA 29 2HB ALA 29 -15.487 -6.194 -4.486 191 HB3 ALA 29 3HB ALA 29 -15.366 -5.174 -5.919 192 H ASP 30 H ASP 30 -13.465 -6.920 -7.919 193 HA ASP 30 HA ASP 30 -12.803 -9.729 -7.364 194 HB2 ASP 30 1HB ASP 30 -14.169 -8.354 -9.656 195 HB3 ASP 30 2HB ASP 30 -13.414 -9.928 -9.891 196 H VAL 31 H VAL 31 -10.581 -9.444 -7.035 197 HA VAL 31 HA VAL 31 -8.960 -8.190 -9.072 198 HB VAL 31 HB VAL 31 -7.045 -8.857 -7.678 199 HG11 VAL 31 1HG1 VAL 31 -7.772 -6.785 -7.020 200 HG12 VAL 31 2HG1 VAL 31 -9.360 -7.377 -6.526 201 HG13 VAL 31 3HG1 VAL 31 -7.949 -7.679 -5.510 202 HG21 VAL 31 1HG2 VAL 31 -9.085 -10.570 -6.447 203 HG22 VAL 31 2HG2 VAL 31 -7.336 -10.777 -6.545 204 HG23 VAL 31 3HG2 VAL 31 -8.032 -9.736 -5.303 205 H VAL 32 H VAL 32 -6.949 -9.451 -9.805 206 HA VAL 32 HA VAL 32 -7.827 -11.678 -11.337 207 HB VAL 32 HB VAL 32 -5.567 -11.813 -12.178 208 HG11 VAL 32 1HG1 VAL 32 -5.670 -8.899 -11.991 209 HG12 VAL 32 2HG1 VAL 32 -5.775 -9.951 -13.404 210 HG13 VAL 32 3HG1 VAL 32 -7.210 -9.637 -12.428 211 HG21 VAL 32 1HG2 VAL 32 -4.447 -11.531 -9.978 212 HG22 VAL 32 2HG2 VAL 32 -3.731 -10.557 -11.263 213 HG23 VAL 32 3HG2 VAL 32 -4.788 -9.803 -10.069 214 H LEU 33 H LEU 33 -6.878 -13.821 -11.327 215 HA LEU 33 HA LEU 33 -7.153 -15.244 -9.042 216 HB2 LEU 33 1HB LEU 33 -5.631 -15.665 -11.536 217 HB3 LEU 33 2HB LEU 33 -5.204 -16.707 -10.181 218 HG LEU 33 HG LEU 33 -6.816 -17.777 -11.670 219 HD11 LEU 33 1HD1 LEU 33 -7.061 -17.448 -8.869 220 HD12 LEU 33 2HD1 LEU 33 -7.554 -18.819 -9.862 221 HD13 LEU 33 3HD1 LEU 33 -8.687 -17.505 -9.550 222 HD21 LEU 33 1HD2 LEU 33 -9.176 -16.855 -11.641 223 HD22 LEU 33 2HD2 LEU 33 -8.003 -15.975 -12.621 224 HD23 LEU 33 3HD2 LEU 33 -8.476 -15.351 -11.041 225 HA PRO 34 HA PRO 34 -2.464 -14.901 -7.942 226 HB2 PRO 34 1HB PRO 34 -0.969 -13.143 -9.372 227 HB3 PRO 34 2HB PRO 34 -1.184 -14.831 -9.849 228 HG2 PRO 34 1HG PRO 34 -2.585 -12.384 -10.857 229 HG3 PRO 34 2HG PRO 34 -1.950 -13.766 -11.769 230 HD2 PRO 34 1HD PRO 34 -4.576 -13.502 -11.164 231 HD3 PRO 34 2HD PRO 34 -3.780 -15.084 -11.290 232 H ALA 35 H ALA 35 -2.120 -11.701 -9.232 233 HA ALA 35 HA ALA 35 -3.451 -10.332 -7.101 234 HB1 ALA 35 1HB ALA 35 -0.913 -11.288 -6.484 235 HB2 ALA 35 2HB ALA 35 -0.674 -9.579 -6.851 236 HB3 ALA 35 3HB ALA 35 -1.828 -10.061 -5.606 237 H ARG 36 H ARG 36 -2.810 -7.929 -7.130 238 HA ARG 36 HA ARG 36 -1.922 -7.063 -9.782 239 HB2 ARG 36 1HB ARG 36 -4.610 -6.609 -8.564 240 HB3 ARG 36 2HB ARG 36 -3.901 -5.324 -9.533 241 HG2 ARG 36 1HG ARG 36 -3.969 -8.076 -10.656 242 HG3 ARG 36 2HG ARG 36 -5.464 -7.139 -10.603 243 HD2 ARG 36 1HD ARG 36 -4.712 -5.596 -12.112 244 HD3 ARG 36 2HD ARG 36 -3.023 -5.815 -11.658 245 HE ARG 36 HE ARG 36 -3.661 -8.170 -12.827 246 HH11 ARG 36 1HH1 ARG 36 -3.983 -4.844 -13.805 247 HH12 ARG 36 2HH1 ARG 36 -3.816 -5.189 -15.495 248 HH21 ARG 36 1HH2 ARG 36 -3.439 -8.636 -15.049 249 HH22 ARG 36 2HH2 ARG 36 -3.508 -7.346 -16.201 250 H TYR 37 H TYR 37 -0.891 -5.101 -9.821 251 HA TYR 37 HA TYR 37 -0.298 -3.941 -7.194 252 HB2 TYR 37 1HB TYR 37 1.645 -2.905 -8.331 253 HB3 TYR 37 2HB TYR 37 1.649 -4.661 -8.454 254 HD1 TYR 37 2HD TYR 37 1.176 -5.756 -10.599 255 HD2 TYR 37 1HD TYR 37 1.376 -1.518 -10.281 256 HE1 TYR 37 2HE TYR 37 1.369 -5.588 -13.045 257 HE2 TYR 37 1HE TYR 37 1.569 -1.338 -12.727 258 HH TYR 37 HH TYR 37 0.844 -2.855 -14.746 259 H PHE 38 H PHE 38 -0.018 -1.573 -7.084 260 HA PHE 38 HA PHE 38 -1.793 -0.135 -8.937 261 HB2 PHE 38 1HB PHE 38 -2.602 1.201 -6.983 262 HB3 PHE 38 2HB PHE 38 -3.082 -0.492 -6.935 263 HD1 PHE 38 1HD PHE 38 -1.598 -2.074 -5.540 264 HD2 PHE 38 2HD PHE 38 -1.567 2.164 -5.154 265 HE1 PHE 38 1HE PHE 38 -0.618 -2.290 -3.293 266 HE2 PHE 38 2HE PHE 38 -0.586 1.956 -2.908 267 HZ PHE 38 HZ PHE 38 -0.110 -0.273 -1.975 268 H TYR 39 H TYR 39 -1.572 2.380 -8.208 269 HA TYR 39 HA TYR 39 1.318 2.942 -8.080 270 HB2 TYR 39 1HB TYR 39 -0.659 4.547 -9.700 271 HB3 TYR 39 2HB TYR 39 1.097 4.654 -9.730 272 HD1 TYR 39 2HD TYR 39 2.160 2.131 -10.180 273 HD2 TYR 39 1HD TYR 39 -1.556 3.633 -11.608 274 HE1 TYR 39 2HE TYR 39 2.230 0.522 -12.039 275 HE2 TYR 39 1HE TYR 39 -1.497 2.027 -13.470 276 HH TYR 39 HH TYR 39 1.288 0.267 -14.290 277 H ILE 40 H ILE 40 1.954 4.806 -6.993 278 HA ILE 40 HA ILE 40 -0.139 6.031 -5.319 279 HB ILE 40 HB ILE 40 2.792 5.662 -4.691 280 HG12 ILE 40 1HG1 ILE 40 0.495 4.468 -3.168 281 HG13 ILE 40 2HG1 ILE 40 1.118 3.667 -4.606 282 HG21 ILE 40 1HG2 ILE 40 1.238 7.692 -3.806 283 HG22 ILE 40 2HG2 ILE 40 0.924 6.473 -2.572 284 HG23 ILE 40 3HG2 ILE 40 2.577 6.997 -2.893 285 HD11 ILE 40 1HD1 ILE 40 3.416 4.009 -3.339 286 HD12 ILE 40 2HD1 ILE 40 2.345 4.005 -1.937 287 HD13 ILE 40 3HD1 ILE 40 2.367 2.624 -3.035 288 H GLN 41 H GLN 41 -0.639 7.982 -6.071 289 HA GLN 41 HA GLN 41 1.475 9.649 -7.239 290 HB2 GLN 41 1HB GLN 41 -0.321 9.482 -8.749 291 HB3 GLN 41 2HB GLN 41 -1.522 9.661 -7.478 292 HG2 GLN 41 1HG GLN 41 -1.519 11.678 -8.695 293 HG3 GLN 41 2HG GLN 41 -0.699 12.010 -7.170 294 HE21 GLN 41 1HE2 GLN 41 0.451 13.745 -7.933 295 HE22 GLN 41 2HE2 GLN 41 1.736 13.595 -9.077 296 H ALA 42 H ALA 42 2.139 11.491 -6.303 297 HA ALA 42 HA ALA 42 1.118 12.114 -3.657 298 HB1 ALA 42 1HB ALA 42 3.633 12.270 -4.899 299 HB2 ALA 42 2HB ALA 42 3.156 13.928 -4.529 300 HB3 ALA 42 3HB ALA 42 3.213 12.719 -3.246 301 H VAL 43 H VAL 43 0.335 14.143 -3.021 302 HA VAL 43 HA VAL 43 -0.288 16.074 -5.130 303 HB VAL 43 HB VAL 43 -2.353 14.879 -3.279 304 HG11 VAL 43 1HG1 VAL 43 -2.410 17.315 -5.024 305 HG12 VAL 43 2HG1 VAL 43 -3.888 16.430 -4.643 306 HG13 VAL 43 3HG1 VAL 43 -2.924 17.138 -3.347 307 HG21 VAL 43 1HG2 VAL 43 -1.654 13.662 -5.420 308 HG22 VAL 43 2HG2 VAL 43 -3.374 13.966 -5.178 309 HG23 VAL 43 3HG2 VAL 43 -2.445 14.984 -6.277 310 H ASP 44 H ASP 44 -0.725 18.189 -4.374 311 HA ASP 44 HA ASP 44 0.593 18.795 -1.872 312 HB2 ASP 44 1HB ASP 44 0.726 20.082 -4.157 313 HB3 ASP 44 2HB ASP 44 -0.736 20.871 -3.573 314 H THR 45 H THR 45 -0.531 20.820 -0.708 315 HA THR 45 HA THR 45 -2.900 19.739 0.483 316 HB THR 45 HB THR 45 -2.800 21.532 2.035 317 HG1 THR 45 1HG THR 45 -0.853 22.878 0.478 318 HG21 THR 45 1HG2 THR 45 -1.063 20.165 2.667 319 HG22 THR 45 2HG2 THR 45 -0.197 21.682 2.419 320 HG23 THR 45 3HG2 THR 45 -0.165 20.434 1.174 321 H SER 46 H SER 46 -2.585 21.159 -2.379 322 HA SER 46 HA SER 46 -5.108 22.666 -2.157 323 HB2 SER 46 1HB SER 46 -2.734 23.046 -3.979 324 HB3 SER 46 2HB SER 46 -4.307 23.762 -4.330 325 HG SER 46 HG SER 46 -3.189 24.135 -1.790 326 H GLY 47 H GLY 47 -3.504 19.996 -3.582 327 HA2 GLY 47 1HA GLY 47 -4.814 18.216 -4.532 328 HA3 GLY 47 2HA GLY 47 -5.924 19.425 -5.160 329 H ASN 48 H ASN 48 -2.416 19.595 -5.371 330 HA ASN 48 HA ASN 48 -2.663 19.319 -8.295 331 HB2 ASN 48 1HB ASN 48 -0.816 20.861 -8.536 332 HB3 ASN 48 2HB ASN 48 -2.038 21.600 -7.506 333 HD21 ASN 48 1HD2 ASN 48 -1.304 22.549 -5.758 334 HD22 ASN 48 2HD2 ASN 48 0.169 22.178 -4.936 335 H LYS 49 H LYS 49 -1.114 18.135 -9.407 336 HA LYS 49 HA LYS 49 0.096 16.002 -7.930 337 HB2 LYS 49 1HB LYS 49 0.096 16.766 -10.845 338 HB3 LYS 49 2HB LYS 49 1.020 15.398 -10.238 339 HG2 LYS 49 1HG LYS 49 -0.939 14.254 -9.566 340 HG3 LYS 49 2HG LYS 49 -1.940 15.688 -9.804 341 HD2 LYS 49 1HD LYS 49 -1.805 15.533 -12.137 342 HD3 LYS 49 2HD LYS 49 -0.413 14.450 -12.073 343 HE2 LYS 49 1HE LYS 49 -1.732 12.627 -11.387 344 HE3 LYS 49 2HE LYS 49 -3.094 13.665 -10.967 345 HZ1 LYS 49 1HZ LYS 49 -3.861 13.076 -12.965 346 HZ2 LYS 49 2HZ LYS 49 -2.353 12.549 -13.519 347 HZ3 LYS 49 3HZ LYS 49 -2.750 14.192 -13.585 348 H PHE 50 H PHE 50 2.268 15.557 -7.627 349 HA PHE 50 HA PHE 50 3.989 17.877 -7.525 350 HB2 PHE 50 1HB PHE 50 4.048 15.114 -6.428 351 HB3 PHE 50 2HB PHE 50 5.599 15.912 -6.675 352 HD1 PHE 50 1HD PHE 50 2.237 16.828 -5.326 353 HD2 PHE 50 2HD PHE 50 6.463 16.945 -4.830 354 HE1 PHE 50 1HE PHE 50 1.951 18.032 -3.200 355 HE2 PHE 50 2HE PHE 50 6.183 18.148 -2.702 356 HZ PHE 50 HZ PHE 50 3.925 18.692 -1.884 357 H THR 51 H THR 51 3.859 14.795 -9.244 358 HA THR 51 HA THR 51 5.057 13.961 -11.001 359 HB THR 51 HB THR 51 5.447 15.513 -12.865 360 HG1 THR 51 1HG THR 51 6.035 17.439 -12.117 361 HG21 THR 51 1HG2 THR 51 3.097 14.664 -12.080 362 HG22 THR 51 2HG2 THR 51 3.218 15.879 -13.352 363 HG23 THR 51 3HG2 THR 51 2.829 16.365 -11.703 364 H SER 52 H SER 52 6.567 14.913 -8.603 365 HA SER 52 HA SER 52 9.196 15.168 -9.906 366 HB2 SER 52 1HB SER 52 8.382 16.441 -7.282 367 HB3 SER 52 2HB SER 52 9.960 16.571 -8.058 368 HG SER 52 HG SER 52 9.108 17.836 -9.613 369 H SER 53 H SER 53 10.979 14.625 -8.191 370 HA SER 53 HA SER 53 10.249 12.012 -7.078 371 HB2 SER 53 1HB SER 53 12.153 12.221 -8.730 372 HB3 SER 53 2HB SER 53 13.033 13.117 -7.492 373 HG SER 53 HG SER 53 11.934 10.613 -6.864 374 HA PRO 54 HA PRO 54 10.404 14.285 -3.163 375 HB2 PRO 54 1HB PRO 54 9.046 12.391 -1.772 376 HB3 PRO 54 2HB PRO 54 8.245 13.599 -2.784 377 HG2 PRO 54 1HG PRO 54 8.904 10.745 -3.403 378 HG3 PRO 54 2HG PRO 54 7.418 11.650 -3.747 379 HD2 PRO 54 1HD PRO 54 9.315 11.195 -5.625 380 HD3 PRO 54 2HD PRO 54 8.318 12.664 -5.611 381 H GLY 55 H GLY 55 10.835 10.743 -3.378 382 HA2 GLY 55 1HA GLY 55 13.490 10.776 -2.435 383 HA3 GLY 55 2HA GLY 55 12.413 10.461 -1.082 384 H GLU 56 H GLU 56 14.043 8.502 -1.401 385 HA GLU 56 HA GLU 56 13.046 6.558 -3.316 386 HB2 GLU 56 1HB GLU 56 14.855 5.114 -2.417 387 HB3 GLU 56 2HB GLU 56 15.438 6.659 -3.020 388 HG2 GLU 56 1HG GLU 56 14.804 6.359 -0.124 389 HG3 GLU 56 2HG GLU 56 16.313 5.709 -0.762 390 H LYS 57 H LYS 57 12.916 7.224 0.111 391 HA LYS 57 HA LYS 57 10.990 5.025 0.410 392 HB2 LYS 57 1HB LYS 57 13.224 5.721 2.322 393 HB3 LYS 57 2HB LYS 57 11.905 4.622 2.701 394 HG2 LYS 57 1HG LYS 57 13.779 4.205 0.388 395 HG3 LYS 57 2HG LYS 57 14.058 3.542 2.001 396 HD2 LYS 57 1HD LYS 57 12.094 2.212 1.887 397 HD3 LYS 57 2HD LYS 57 11.529 3.051 0.440 398 HE2 LYS 57 1HE LYS 57 12.380 0.992 -0.320 399 HE3 LYS 57 2HE LYS 57 13.623 2.182 -0.701 400 HZ1 LYS 57 1HZ LYS 57 13.643 0.063 1.330 401 HZ2 LYS 57 2HZ LYS 57 14.542 1.468 1.610 402 HZ3 LYS 57 3HZ LYS 57 14.856 0.521 0.244 403 H VAL 58 H VAL 58 9.824 7.234 -0.076 404 HA VAL 58 HA VAL 58 9.434 8.806 2.353 405 HB VAL 58 HB VAL 58 8.074 10.294 0.971 406 HG11 VAL 58 1HG1 VAL 58 9.982 10.658 -0.862 407 HG12 VAL 58 2HG1 VAL 58 10.193 11.092 0.836 408 HG13 VAL 58 3HG1 VAL 58 10.845 9.570 0.225 409 HG21 VAL 58 1HG2 VAL 58 8.655 8.351 -1.263 410 HG22 VAL 58 2HG2 VAL 58 7.084 8.628 -0.510 411 HG23 VAL 58 3HG2 VAL 58 7.856 9.913 -1.440 412 H PHE 59 H PHE 59 7.673 6.637 0.202 413 HA PHE 59 HA PHE 59 5.396 6.700 2.065 414 HB2 PHE 59 1HB PHE 59 5.542 5.897 -0.846 415 HB3 PHE 59 2HB PHE 59 4.117 5.666 0.163 416 HD1 PHE 59 1HD PHE 59 3.759 8.045 1.632 417 HD2 PHE 59 2HD PHE 59 5.223 7.599 -2.340 418 HE1 PHE 59 1HE PHE 59 3.014 10.330 1.104 419 HE2 PHE 59 2HE PHE 59 4.482 9.884 -2.873 420 HZ PHE 59 HZ PHE 59 3.376 11.253 -1.150 421 H GLN 60 H GLN 60 4.227 4.590 2.290 422 HA GLN 60 HA GLN 60 5.848 2.210 1.927 423 HB2 GLN 60 1HB GLN 60 6.682 2.980 4.053 424 HB3 GLN 60 2HB GLN 60 5.048 3.229 4.656 425 HG2 GLN 60 1HG GLN 60 4.647 0.945 4.866 426 HG3 GLN 60 2HG GLN 60 5.987 0.518 3.804 427 HE21 GLN 60 1HE2 GLN 60 4.978 0.938 6.985 428 HE22 GLN 60 2HE2 GLN 60 6.518 0.811 7.758 429 H VAL 61 H VAL 61 4.672 0.237 2.310 430 HA VAL 61 HA VAL 61 1.764 0.549 2.560 431 HB VAL 61 HB VAL 61 3.118 -1.079 0.405 432 HG11 VAL 61 1HG1 VAL 61 0.179 -0.601 0.531 433 HG12 VAL 61 2HG1 VAL 61 1.076 -1.933 -0.201 434 HG13 VAL 61 3HG1 VAL 61 0.888 -1.853 1.551 435 HG21 VAL 61 1HG2 VAL 61 2.088 1.650 0.490 436 HG22 VAL 61 2HG2 VAL 61 3.154 0.877 -0.684 437 HG23 VAL 61 3HG2 VAL 61 1.406 0.683 -0.818 438 H LYS 62 H LYS 62 0.755 -1.048 3.670 439 HA LYS 62 HA LYS 62 2.373 -3.380 4.461 440 HB2 LYS 62 1HB LYS 62 2.335 -2.286 6.474 441 HB3 LYS 62 2HB LYS 62 0.824 -1.459 6.120 442 HG2 LYS 62 1HG LYS 62 -0.470 -3.258 6.789 443 HG3 LYS 62 2HG LYS 62 0.853 -4.410 6.596 444 HD2 LYS 62 1HD LYS 62 1.997 -3.093 8.488 445 HD3 LYS 62 2HD LYS 62 0.396 -2.416 8.792 446 HE2 LYS 62 1HE LYS 62 -0.349 -4.917 8.770 447 HE3 LYS 62 2HE LYS 62 1.357 -5.230 9.084 448 HZ1 LYS 62 1HZ LYS 62 -0.438 -4.774 10.994 449 HZ2 LYS 62 2HZ LYS 62 0.125 -3.199 10.748 450 HZ3 LYS 62 3HZ LYS 62 1.210 -4.429 11.164 451 H VAL 63 H VAL 63 1.468 -5.296 4.076 452 HA VAL 63 HA VAL 63 -1.437 -5.388 3.576 453 HB VAL 63 HB VAL 63 0.762 -6.924 2.191 454 HG11 VAL 63 1HG1 VAL 63 -2.219 -7.322 2.161 455 HG12 VAL 63 2HG1 VAL 63 -1.168 -7.901 0.867 456 HG13 VAL 63 3HG1 VAL 63 -0.960 -8.506 2.511 457 HG21 VAL 63 1HG2 VAL 63 -1.120 -4.744 1.396 458 HG22 VAL 63 2HG2 VAL 63 0.610 -4.898 1.092 459 HG23 VAL 63 3HG2 VAL 63 -0.535 -5.884 0.184 460 H SER 64 H SER 64 -2.558 -6.703 4.851 461 HA SER 64 HA SER 64 -1.395 -9.151 5.873 462 HB2 SER 64 1HB SER 64 -2.172 -6.856 7.673 463 HB3 SER 64 2HB SER 64 -2.101 -8.522 8.249 464 HG SER 64 HG SER 64 -0.040 -6.807 7.479 465 H ALA 65 H ALA 65 -2.918 -10.673 6.471 466 HA ALA 65 HA ALA 65 -5.646 -10.073 5.623 467 HB1 ALA 65 1HB ALA 65 -4.883 -12.023 4.603 468 HB2 ALA 65 2HB ALA 65 -4.127 -12.616 6.083 469 HB3 ALA 65 3HB ALA 65 -5.884 -12.612 5.930 470 HA PRO 66 HA PRO 66 -7.138 -9.742 9.764 471 HB2 PRO 66 1HB PRO 66 -9.777 -10.110 9.248 472 HB3 PRO 66 2HB PRO 66 -8.923 -8.612 8.860 473 HG2 PRO 66 1HG PRO 66 -9.635 -10.905 7.071 474 HG3 PRO 66 2HG PRO 66 -9.750 -9.163 6.758 475 HD2 PRO 66 1HD PRO 66 -7.715 -10.681 5.817 476 HD3 PRO 66 2HD PRO 66 -7.506 -8.976 6.264 477 H GLU 67 H GLU 67 -8.004 -12.488 7.729 478 HA GLU 67 HA GLU 67 -8.915 -14.076 9.961 479 HB2 GLU 67 1HB GLU 67 -9.753 -14.217 7.539 480 HB3 GLU 67 2HB GLU 67 -8.274 -15.106 7.206 481 HG2 GLU 67 1HG GLU 67 -10.322 -16.490 7.662 482 HG3 GLU 67 2HG GLU 67 -8.895 -16.878 8.621 483 H GLU 68 H GLU 68 -6.428 -14.798 7.513 484 HA GLU 68 HA GLU 68 -5.071 -16.705 9.004 485 HB2 GLU 68 1HB GLU 68 -4.240 -14.910 6.745 486 HB3 GLU 68 2HB GLU 68 -3.074 -15.986 7.503 487 HG2 GLU 68 1HG GLU 68 -5.619 -16.767 6.105 488 HG3 GLU 68 2HG GLU 68 -3.969 -17.044 5.552 489 H GLN 69 H GLN 69 -3.796 -16.614 10.730 490 HA GLN 69 HA GLN 69 -3.247 -14.159 12.041 491 HB2 GLN 69 1HB GLN 69 -2.046 -16.882 12.567 492 HB3 GLN 69 2HB GLN 69 -2.043 -15.514 13.671 493 HG2 GLN 69 1HG GLN 69 -4.655 -16.516 12.677 494 HG3 GLN 69 2HG GLN 69 -3.793 -17.464 13.888 495 HE21 GLN 69 1HE2 GLN 69 -5.672 -14.680 13.265 496 HE22 GLN 69 2HE2 GLN 69 -5.724 -14.072 14.881 497 H PHE 70 H PHE 70 -1.011 -16.586 10.680 498 HA PHE 70 HA PHE 70 1.094 -14.569 10.594 499 HB2 PHE 70 1HB PHE 70 1.295 -17.482 9.818 500 HB3 PHE 70 2HB PHE 70 2.616 -16.379 10.191 501 HD1 PHE 70 1HD PHE 70 2.156 -15.181 12.632 502 HD2 PHE 70 2HD PHE 70 0.938 -19.074 11.414 503 HE1 PHE 70 1HE PHE 70 2.084 -15.892 14.987 504 HE2 PHE 70 2HE PHE 70 0.864 -19.790 13.767 505 HZ PHE 70 HZ PHE 70 1.437 -18.198 15.557 506 H THR 71 H THR 71 0.860 -13.252 8.881 507 HA THR 71 HA THR 71 0.296 -14.444 6.255 508 HB THR 71 HB THR 71 0.168 -11.540 7.092 509 HG1 THR 71 1HG THR 71 -1.506 -12.864 7.984 510 HG21 THR 71 1HG2 THR 71 0.654 -11.639 4.760 511 HG22 THR 71 2HG2 THR 71 -1.074 -11.319 4.909 512 HG23 THR 71 3HG2 THR 71 -0.508 -12.940 4.510 513 H ARG 72 H ARG 72 2.137 -15.009 5.269 514 HA ARG 72 HA ARG 72 4.513 -13.339 5.549 515 HB2 ARG 72 1HB ARG 72 4.692 -15.804 5.790 516 HB3 ARG 72 2HB ARG 72 4.177 -15.980 4.118 517 HG2 ARG 72 1HG ARG 72 6.157 -14.993 3.300 518 HG3 ARG 72 2HG ARG 72 6.612 -14.408 4.902 519 HD2 ARG 72 1HD ARG 72 7.966 -16.255 4.704 520 HD3 ARG 72 2HD ARG 72 6.564 -16.947 5.519 521 HE ARG 72 HE ARG 72 7.435 -17.454 2.805 522 HH11 ARG 72 1HH1 ARG 72 4.869 -17.701 5.145 523 HH12 ARG 72 2HH1 ARG 72 4.052 -18.979 4.307 524 HH21 ARG 72 1HH2 ARG 72 6.369 -19.137 1.693 525 HH22 ARG 72 2HH2 ARG 72 4.906 -19.796 2.345 526 H VAL 73 H VAL 73 4.440 -11.601 4.249 527 HA VAL 73 HA VAL 73 4.047 -12.083 1.374 528 HB VAL 73 HB VAL 73 2.920 -9.780 2.967 529 HG11 VAL 73 1HG1 VAL 73 3.522 -8.652 1.076 530 HG12 VAL 73 2HG1 VAL 73 3.458 -10.094 0.061 531 HG13 VAL 73 3HG1 VAL 73 1.965 -9.291 0.549 532 HG21 VAL 73 1HG2 VAL 73 1.299 -11.440 1.119 533 HG22 VAL 73 2HG2 VAL 73 1.788 -12.165 2.651 534 HG23 VAL 73 3HG2 VAL 73 0.850 -10.672 2.642 535 H GLY 74 H GLY 74 5.435 -11.031 0.021 536 HA2 GLY 74 1HA GLY 74 7.547 -9.445 1.338 537 HA3 GLY 74 2HA GLY 74 7.780 -10.416 -0.109 538 H VAL 75 H VAL 75 6.377 -7.463 1.170 539 HA VAL 75 HA VAL 75 5.705 -6.480 -1.475 540 HB VAL 75 HB VAL 75 5.547 -5.128 1.222 541 HG11 VAL 75 1HG1 VAL 75 5.827 -3.658 -0.859 542 HG12 VAL 75 2HG1 VAL 75 4.202 -4.195 -1.293 543 HG13 VAL 75 3HG1 VAL 75 4.470 -3.316 0.213 544 HG21 VAL 75 1HG2 VAL 75 3.005 -5.503 0.094 545 HG22 VAL 75 2HG2 VAL 75 3.859 -7.033 -0.104 546 HG23 VAL 75 3HG2 VAL 75 3.691 -6.318 1.499 547 H GLN 76 H GLN 76 7.051 -5.387 -2.737 548 HA GLN 76 HA GLN 76 9.337 -4.004 -1.497 549 HB2 GLN 76 1HB GLN 76 9.910 -6.137 -2.746 550 HB3 GLN 76 2HB GLN 76 9.400 -5.313 -4.214 551 HG2 GLN 76 1HG GLN 76 11.828 -5.260 -3.899 552 HG3 GLN 76 2HG GLN 76 11.117 -3.648 -3.930 553 HE21 GLN 76 1HE2 GLN 76 11.615 -2.307 -2.340 554 HE22 GLN 76 2HE2 GLN 76 12.360 -2.747 -0.845 555 H VAL 77 H VAL 77 9.774 -1.968 -2.183 556 HA VAL 77 HA VAL 77 7.859 -0.791 -4.071 557 HB VAL 77 HB VAL 77 8.531 1.383 -3.139 558 HG11 VAL 77 1HG1 VAL 77 7.870 0.611 -0.625 559 HG12 VAL 77 2HG1 VAL 77 6.712 0.823 -1.940 560 HG13 VAL 77 3HG1 VAL 77 7.332 -0.784 -1.560 561 HG21 VAL 77 1HG2 VAL 77 10.601 -0.273 -1.885 562 HG22 VAL 77 2HG2 VAL 77 10.614 1.442 -2.296 563 HG23 VAL 77 3HG2 VAL 77 9.843 0.898 -0.806 564 H LEU 78 H LEU 78 8.500 -0.295 -6.055 565 HA LEU 78 HA LEU 78 11.379 0.095 -6.546 566 HB2 LEU 78 1HB LEU 78 9.276 -1.363 -8.046 567 HB3 LEU 78 2HB LEU 78 10.508 -0.522 -8.984 568 HG LEU 78 HG LEU 78 11.157 -2.812 -8.752 569 HD11 LEU 78 1HD1 LEU 78 12.741 -0.686 -8.042 570 HD12 LEU 78 2HD1 LEU 78 13.301 -2.324 -8.375 571 HD13 LEU 78 3HD1 LEU 78 12.987 -1.821 -6.714 572 HD21 LEU 78 1HD2 LEU 78 9.745 -3.093 -6.623 573 HD22 LEU 78 2HD2 LEU 78 11.187 -2.551 -5.764 574 HD23 LEU 78 3HD2 LEU 78 11.246 -4.010 -6.754 575 H ASP 79 H ASP 79 12.022 1.744 -7.933 576 HA ASP 79 HA ASP 79 10.040 3.872 -8.268 577 HB2 ASP 79 1HB ASP 79 11.971 4.642 -7.123 578 HB3 ASP 79 2HB ASP 79 13.055 3.853 -8.266 579 H ARG 80 H ARG 80 9.021 3.882 -10.159 580 HA ARG 80 HA ARG 80 10.448 2.996 -12.562 581 HB2 ARG 80 1HB ARG 80 7.495 3.489 -12.133 582 HB3 ARG 80 2HB ARG 80 8.227 2.853 -13.601 583 HG2 ARG 80 1HG ARG 80 9.159 1.027 -11.958 584 HG3 ARG 80 2HG ARG 80 7.784 1.535 -10.974 585 HD2 ARG 80 1HD ARG 80 7.129 -0.324 -12.362 586 HD3 ARG 80 2HD ARG 80 6.301 1.133 -12.909 587 HE ARG 80 HE ARG 80 8.755 0.558 -14.309 588 HH11 ARG 80 1HH1 ARG 80 5.313 0.050 -14.184 589 HH12 ARG 80 2HH1 ARG 80 5.176 -0.329 -15.870 590 HH21 ARG 80 1HH2 ARG 80 8.588 0.061 -16.529 591 HH22 ARG 80 2HH2 ARG 80 7.040 -0.323 -17.202 592 H LYS 81 H LYS 81 8.197 5.581 -11.574 593 HA LYS 81 HA LYS 81 9.429 7.307 -13.619 594 HB2 LYS 81 1HB LYS 81 6.638 7.236 -12.488 595 HB3 LYS 81 2HB LYS 81 7.254 8.640 -13.349 596 HG2 LYS 81 1HG LYS 81 7.377 5.929 -14.601 597 HG3 LYS 81 2HG LYS 81 5.882 6.866 -14.628 598 HD2 LYS 81 1HD LYS 81 7.000 8.689 -15.757 599 HD3 LYS 81 2HD LYS 81 8.551 7.855 -15.632 600 HE2 LYS 81 1HE LYS 81 7.768 7.507 -17.842 601 HE3 LYS 81 2HE LYS 81 7.527 5.990 -16.978 602 HZ1 LYS 81 1HZ LYS 81 5.343 7.959 -17.133 603 HZ2 LYS 81 2HZ LYS 81 5.256 6.283 -16.921 604 HZ3 LYS 81 3HZ LYS 81 5.639 6.924 -18.439 605 H ASP 82 H ASP 82 9.065 9.734 -12.993 606 HA ASP 82 HA ASP 82 10.296 10.067 -10.367 607 HB2 ASP 82 1HB ASP 82 10.040 11.868 -12.771 608 HB3 ASP 82 2HB ASP 82 10.627 12.456 -11.218 609 H GLY 83 H GLY 83 7.755 9.390 -9.963 610 HA2 GLY 83 1HA GLY 83 6.700 11.497 -8.453 611 HA3 GLY 83 2HA GLY 83 5.854 11.472 -9.993 612 H SER 84 H SER 84 5.819 8.691 -10.423 613 HA SER 84 HA SER 84 3.887 7.902 -8.355 614 HB2 SER 84 1HB SER 84 3.214 8.081 -10.828 615 HB3 SER 84 2HB SER 84 4.168 6.618 -11.069 616 HG SER 84 HG SER 84 2.788 5.845 -9.181 617 H PHE 85 H PHE 85 3.936 5.839 -7.446 618 HA PHE 85 HA PHE 85 6.459 4.368 -7.834 619 HB2 PHE 85 1HB PHE 85 4.875 4.773 -5.291 620 HB3 PHE 85 2HB PHE 85 6.251 3.686 -5.440 621 HD1 PHE 85 1HD PHE 85 8.506 4.559 -5.695 622 HD2 PHE 85 2HD PHE 85 5.168 7.155 -5.210 623 HE1 PHE 85 1HE PHE 85 10.031 6.417 -5.168 624 HE2 PHE 85 2HE PHE 85 6.687 9.017 -4.683 625 HZ PHE 85 HZ PHE 85 9.123 8.649 -4.662 626 H ILE 86 H ILE 86 6.389 2.094 -7.678 627 HA ILE 86 HA ILE 86 3.699 0.962 -8.086 628 HB ILE 86 HB ILE 86 5.255 0.844 -10.045 629 HG12 ILE 86 1HG1 ILE 86 4.749 -1.957 -9.118 630 HG13 ILE 86 2HG1 ILE 86 3.382 -0.869 -9.339 631 HG21 ILE 86 1HG2 ILE 86 7.345 0.533 -8.867 632 HG22 ILE 86 2HG2 ILE 86 6.789 -1.015 -8.234 633 HG23 ILE 86 3HG2 ILE 86 7.071 -0.820 -9.964 634 HD11 ILE 86 1HD1 ILE 86 3.514 -0.962 -11.571 635 HD12 ILE 86 2HD1 ILE 86 5.278 -0.940 -11.573 636 HD13 ILE 86 3HD1 ILE 86 4.415 -2.447 -11.268 637 H VAL 87 H VAL 87 3.059 -0.781 -6.916 638 HA VAL 87 HA VAL 87 4.927 -1.736 -4.847 639 HB VAL 87 HB VAL 87 1.907 -1.648 -4.767 640 HG11 VAL 87 1HG1 VAL 87 3.595 -2.243 -2.388 641 HG12 VAL 87 2HG1 VAL 87 1.937 -2.728 -2.747 642 HG13 VAL 87 3HG1 VAL 87 3.286 -3.531 -3.551 643 HG21 VAL 87 1HG2 VAL 87 2.773 -0.155 -2.677 644 HG22 VAL 87 2HG2 VAL 87 4.019 0.193 -3.875 645 HG23 VAL 87 3HG2 VAL 87 2.324 0.504 -4.250 646 H ARG 88 H ARG 88 5.603 -3.757 -5.058 647 HA ARG 88 HA ARG 88 3.854 -5.695 -6.424 648 HB2 ARG 88 1HB ARG 88 6.848 -5.371 -6.635 649 HB3 ARG 88 2HB ARG 88 5.994 -6.806 -7.186 650 HG2 ARG 88 1HG ARG 88 4.835 -5.586 -8.853 651 HG3 ARG 88 2HG ARG 88 5.363 -4.042 -8.181 652 HD2 ARG 88 1HD ARG 88 6.648 -4.575 -10.166 653 HD3 ARG 88 2HD ARG 88 7.685 -4.610 -8.740 654 HE ARG 88 HE ARG 88 7.969 -6.881 -9.025 655 HH11 ARG 88 1HH1 ARG 88 5.490 -5.704 -11.168 656 HH12 ARG 88 2HH1 ARG 88 5.414 -7.166 -12.094 657 HH21 ARG 88 1HH2 ARG 88 7.879 -8.811 -10.238 658 HH22 ARG 88 2HH2 ARG 88 6.773 -8.933 -11.564 659 H TYR 89 H TYR 89 3.555 -7.623 -5.445 660 HA TYR 89 HA TYR 89 5.331 -8.509 -3.331 661 HB2 TYR 89 1HB TYR 89 3.574 -8.686 -1.645 662 HB3 TYR 89 2HB TYR 89 3.768 -7.012 -2.153 663 HD1 TYR 89 1HD TYR 89 2.139 -6.187 -4.012 664 HD2 TYR 89 2HD TYR 89 1.455 -9.634 -1.613 665 HE1 TYR 89 1HE TYR 89 -0.263 -6.060 -4.525 666 HE2 TYR 89 2HE TYR 89 -0.949 -9.518 -2.121 667 HH TYR 89 HH TYR 89 -2.322 -6.818 -3.898 668 H ARG 90 H ARG 90 4.699 -10.679 -2.507 669 HA ARG 90 HA ARG 90 3.297 -12.212 -4.598 670 HB2 ARG 90 1HB ARG 90 5.886 -12.478 -4.143 671 HB3 ARG 90 2HB ARG 90 5.327 -13.491 -2.819 672 HG2 ARG 90 1HG ARG 90 5.733 -14.939 -4.627 673 HG3 ARG 90 2HG ARG 90 3.979 -14.768 -4.527 674 HD2 ARG 90 1HD ARG 90 4.339 -14.518 -6.788 675 HD3 ARG 90 2HD ARG 90 4.348 -12.842 -6.241 676 HE ARG 90 HE ARG 90 6.969 -13.872 -6.186 677 HH11 ARG 90 1HH1 ARG 90 4.501 -12.862 -8.423 678 HH12 ARG 90 2HH1 ARG 90 5.625 -12.402 -9.658 679 HH21 ARG 90 1HH2 ARG 90 8.460 -13.269 -7.804 680 HH22 ARG 90 2HH2 ARG 90 7.877 -12.635 -9.305 681 H MET 91 H MET 91 2.032 -13.998 -3.946 682 HA MET 91 HA MET 91 1.337 -14.039 -1.084 683 HB2 MET 91 1HB MET 91 -0.365 -12.895 -2.568 684 HB3 MET 91 2HB MET 91 -0.634 -14.456 -3.330 685 HG2 MET 91 1HG MET 91 -2.331 -14.100 -1.692 686 HG3 MET 91 2HG MET 91 -1.259 -15.378 -1.125 687 HE1 MET 91 1HE MET 91 -3.127 -13.454 1.380 688 HE2 MET 91 2HE MET 91 -2.662 -15.058 0.812 689 HE3 MET 91 3HE MET 91 -1.869 -14.358 2.224 690 H TYR 92 H TYR 92 1.245 -15.851 -4.136 691 HA TYR 92 HA TYR 92 1.032 -18.114 -4.519 692 HB2 TYR 92 1HB TYR 92 2.939 -19.367 -3.366 693 HB3 TYR 92 2HB TYR 92 3.384 -17.992 -4.371 694 HD1 TYR 92 1HD TYR 92 2.686 -18.913 -0.827 695 HD2 TYR 92 2HD TYR 92 4.740 -16.315 -3.497 696 HE1 TYR 92 1HE TYR 92 3.895 -17.925 1.074 697 HE2 TYR 92 2HE TYR 92 5.956 -15.320 -1.604 698 HH TYR 92 HH TYR 92 6.203 -16.684 1.343 699 H ALA 93 H ALA 93 -0.723 -17.138 -2.398 700 HA ALA 93 HA ALA 93 -1.226 -19.712 -1.111 701 HB1 ALA 93 1HB ALA 93 -1.066 -19.022 1.035 702 HB2 ALA 93 2HB ALA 93 0.077 -17.872 0.339 703 HB3 ALA 93 3HB ALA 93 -1.585 -17.378 0.661 704 H SER 94 H SER 94 -3.401 -19.968 -0.361 705 HA SER 94 HA SER 94 -5.299 -18.582 -2.025 706 HB2 SER 94 1HB SER 94 -5.528 -20.830 -0.028 707 HB3 SER 94 2HB SER 94 -6.948 -20.109 -0.784 708 HG SER 94 HG SER 94 -6.536 -21.473 -2.328 709 H TYR 95 H TYR 95 -5.942 -16.608 -1.461 710 HA TYR 95 HA TYR 95 -6.641 -16.128 1.362 711 HB2 TYR 95 1HB TYR 95 -5.987 -13.809 1.092 712 HB3 TYR 95 2HB TYR 95 -4.644 -14.848 0.629 713 HD1 TYR 95 2HD TYR 95 -4.159 -15.198 -1.811 714 HD2 TYR 95 1HD TYR 95 -6.934 -12.277 -0.443 715 HE1 TYR 95 2HE TYR 95 -4.018 -14.055 -3.984 716 HE2 TYR 95 1HE TYR 95 -6.801 -11.126 -2.613 717 HH TYR 95 HH TYR 95 -5.401 -10.933 -4.512 718 H LYS 96 H LYS 96 -8.634 -15.381 1.787 719 HA LYS 96 HA LYS 96 -10.496 -15.148 -0.432 720 HB2 LYS 96 1HB LYS 96 -10.834 -16.392 1.860 721 HB3 LYS 96 2HB LYS 96 -11.292 -14.792 2.431 722 HG2 LYS 96 1HG LYS 96 -13.330 -15.615 1.826 723 HG3 LYS 96 2HG LYS 96 -12.848 -14.833 0.318 724 HD2 LYS 96 1HD LYS 96 -13.487 -16.867 -0.501 725 HD3 LYS 96 2HD LYS 96 -11.792 -17.217 -0.151 726 HE2 LYS 96 1HE LYS 96 -13.920 -17.688 1.906 727 HE3 LYS 96 2HE LYS 96 -13.606 -18.878 0.644 728 HZ1 LYS 96 1HZ LYS 96 -11.132 -18.330 1.567 729 HZ2 LYS 96 2HZ LYS 96 -12.077 -19.645 2.057 730 HZ3 LYS 96 3HZ LYS 96 -12.055 -18.228 2.981 731 H ASN 97 H ASN 97 -9.148 -13.158 2.144 732 HA ASN 97 HA ASN 97 -9.982 -10.774 0.691 733 HB2 ASN 97 1HB ASN 97 -10.725 -9.749 2.919 734 HB3 ASN 97 2HB ASN 97 -11.820 -10.905 2.166 735 HD21 ASN 97 1HD2 ASN 97 -12.626 -12.378 3.460 736 HD22 ASN 97 2HD2 ASN 97 -11.918 -12.943 4.932 737 H LEU 98 H LEU 98 -8.603 -9.057 0.926 738 HA LEU 98 HA LEU 98 -6.341 -9.415 2.777 739 HB2 LEU 98 1HB LEU 98 -6.369 -8.806 -0.133 740 HB3 LEU 98 2HB LEU 98 -5.128 -8.050 0.864 741 HG LEU 98 HG LEU 98 -5.573 -11.027 0.668 742 HD11 LEU 98 1HD1 LEU 98 -3.145 -9.856 -0.483 743 HD12 LEU 98 2HD1 LEU 98 -4.632 -9.468 -1.347 744 HD13 LEU 98 3HD1 LEU 98 -4.181 -11.152 -1.083 745 HD21 LEU 98 1HD2 LEU 98 -3.141 -10.896 1.564 746 HD22 LEU 98 2HD2 LEU 98 -4.489 -10.681 2.682 747 HD23 LEU 98 3HD2 LEU 98 -3.605 -9.276 2.084 748 H LYS 99 H LYS 99 -5.201 -7.389 3.298 749 HA LYS 99 HA LYS 99 -6.939 -5.022 3.107 750 HB2 LYS 99 1HB LYS 99 -7.329 -5.654 5.313 751 HB3 LYS 99 2HB LYS 99 -5.691 -6.253 5.537 752 HG2 LYS 99 1HG LYS 99 -4.828 -4.148 5.915 753 HG3 LYS 99 2HG LYS 99 -6.158 -3.340 5.081 754 HD2 LYS 99 1HD LYS 99 -6.054 -3.230 7.661 755 HD3 LYS 99 2HD LYS 99 -7.602 -3.578 6.887 756 HE2 LYS 99 1HE LYS 99 -7.564 -5.799 7.514 757 HE3 LYS 99 2HE LYS 99 -5.809 -5.832 7.674 758 HZ1 LYS 99 1HZ LYS 99 -6.982 -3.996 9.503 759 HZ2 LYS 99 2HZ LYS 99 -5.964 -5.311 9.811 760 HZ3 LYS 99 3HZ LYS 99 -7.636 -5.544 9.701 761 H VAL 100 H VAL 100 -5.938 -3.140 2.638 762 HA VAL 100 HA VAL 100 -2.993 -3.186 2.490 763 HB VAL 100 HB VAL 100 -4.974 -1.799 0.685 764 HG11 VAL 100 1HG1 VAL 100 -3.119 -0.795 -0.468 765 HG12 VAL 100 2HG1 VAL 100 -3.037 -0.345 1.236 766 HG13 VAL 100 3HG1 VAL 100 -1.967 -1.595 0.601 767 HG21 VAL 100 1HG2 VAL 100 -3.708 -3.118 -1.057 768 HG22 VAL 100 2HG2 VAL 100 -2.959 -3.998 0.276 769 HG23 VAL 100 3HG2 VAL 100 -4.706 -4.066 0.047 770 H GLU 101 H GLU 101 -1.869 -1.535 3.383 771 HA GLU 101 HA GLU 101 -3.375 0.767 4.418 772 HB2 GLU 101 1HB GLU 101 -1.585 -1.104 5.917 773 HB3 GLU 101 2HB GLU 101 -1.653 0.586 6.396 774 HG2 GLU 101 1HG GLU 101 -4.075 0.396 6.699 775 HG3 GLU 101 2HG GLU 101 -3.990 -1.305 6.245 776 H ILE 102 H ILE 102 -2.503 2.650 3.862 777 HA ILE 102 HA ILE 102 0.356 2.717 3.151 778 HB ILE 102 HB ILE 102 -1.715 4.471 1.851 779 HG12 ILE 102 1HG1 ILE 102 -1.184 2.771 -0.122 780 HG13 ILE 102 2HG1 ILE 102 -0.914 1.666 1.221 781 HG21 ILE 102 1HG2 ILE 102 1.184 3.934 1.504 782 HG22 ILE 102 2HG2 ILE 102 0.231 4.287 0.063 783 HG23 ILE 102 3HG2 ILE 102 0.290 5.450 1.387 784 HD11 ILE 102 1HD1 ILE 102 -3.141 1.899 1.974 785 HD12 ILE 102 2HD1 ILE 102 -3.434 3.265 0.897 786 HD13 ILE 102 3HD1 ILE 102 -3.216 1.647 0.230 787 H LYS 103 H LYS 103 1.351 3.797 4.725 788 HA LYS 103 HA LYS 103 0.131 6.308 5.670 789 HB2 LYS 103 1HB LYS 103 1.726 4.249 7.192 790 HB3 LYS 103 2HB LYS 103 1.463 5.880 7.797 791 HG2 LYS 103 1HG LYS 103 -0.905 5.534 7.883 792 HG3 LYS 103 2HG LYS 103 -0.750 3.970 7.081 793 HD2 LYS 103 1HD LYS 103 0.752 4.428 9.612 794 HD3 LYS 103 2HD LYS 103 -0.989 4.152 9.703 795 HE2 LYS 103 1HE LYS 103 -0.194 2.003 9.865 796 HE3 LYS 103 2HE LYS 103 -0.450 2.136 8.126 797 HZ1 LYS 103 1HZ LYS 103 2.118 3.055 8.641 798 HZ2 LYS 103 2HZ LYS 103 1.672 1.628 7.850 799 HZ3 LYS 103 3HZ LYS 103 1.944 1.619 9.519 800 H PHE 104 H PHE 104 1.709 7.925 6.446 801 HA PHE 104 HA PHE 104 4.334 7.695 5.149 802 HB2 PHE 104 1HB PHE 104 3.373 9.057 3.564 803 HB3 PHE 104 2HB PHE 104 2.236 9.765 4.706 804 HD1 PHE 104 1HD PHE 104 5.762 9.796 3.601 805 HD2 PHE 104 2HD PHE 104 2.710 11.795 5.793 806 HE1 PHE 104 1HE PHE 104 7.206 11.778 3.798 807 HE2 PHE 104 2HE PHE 104 4.148 13.781 5.993 808 HZ PHE 104 HZ PHE 104 6.400 13.775 4.994 809 H GLN 105 H GLN 105 5.505 7.508 7.000 810 HA GLN 105 HA GLN 105 6.566 8.114 8.919 811 HB2 GLN 105 1HB GLN 105 5.656 10.899 8.176 812 HB3 GLN 105 2HB GLN 105 6.948 10.492 9.298 813 HG2 GLN 105 1HG GLN 105 7.019 9.645 6.423 814 HG3 GLN 105 2HG GLN 105 7.607 11.220 6.954 815 HE21 GLN 105 1HE2 GLN 105 9.404 9.740 5.757 816 HE22 GLN 105 2HE2 GLN 105 10.519 9.034 6.871 817 H GLY 106 H GLY 106 3.685 7.444 8.954 818 HA2 GLY 106 1HA GLY 106 2.421 7.056 10.928 819 HA3 GLY 106 2HA GLY 106 3.135 8.497 11.635 820 H GLN 107 H GLN 107 1.928 8.621 8.392 821 HA GLN 107 HA GLN 107 -0.586 9.823 9.286 822 HB2 GLN 107 1HB GLN 107 1.364 11.159 7.402 823 HB3 GLN 107 2HB GLN 107 -0.264 11.731 7.743 824 HG2 GLN 107 1HG GLN 107 0.293 12.210 10.005 825 HG3 GLN 107 2HG GLN 107 1.853 11.404 9.850 826 HE21 GLN 107 1HE2 GLN 107 3.526 12.433 8.773 827 HE22 GLN 107 2HE2 GLN 107 3.490 14.121 8.407 828 H HIS 108 H HIS 108 -2.143 8.757 8.275 829 HA HIS 108 HA HIS 108 -1.807 7.072 6.081 830 HB2 HIS 108 1HB HIS 108 -4.283 8.419 7.167 831 HB3 HIS 108 2HB HIS 108 -4.324 7.205 5.891 832 HD1 HIS 108 1HD HIS 108 -4.237 4.793 6.594 833 HD2 HIS 108 2HD HIS 108 -3.384 7.404 9.711 834 HE1 HIS 108 1HE HIS 108 -4.168 3.368 8.665 835 HE2 HIS 108 2HE HIS 108 -3.735 4.982 10.549 836 H VAL 109 H VAL 109 -2.315 7.261 3.892 837 HA VAL 109 HA VAL 109 -2.335 10.028 2.887 838 HB VAL 109 HB VAL 109 -1.419 7.520 1.473 839 HG11 VAL 109 1HG1 VAL 109 -1.105 8.722 -0.409 840 HG12 VAL 109 2HG1 VAL 109 -2.363 9.748 0.284 841 HG13 VAL 109 3HG1 VAL 109 -0.665 10.185 0.471 842 HG21 VAL 109 1HG2 VAL 109 0.835 8.448 1.723 843 HG22 VAL 109 2HG2 VAL 109 0.178 9.786 2.666 844 HG23 VAL 109 3HG2 VAL 109 0.085 8.139 3.289 845 H ALA 110 H ALA 110 -3.738 6.815 2.415 846 HA ALA 110 HA ALA 110 -5.879 8.058 0.814 847 HB1 ALA 110 1HB ALA 110 -6.062 6.165 -0.476 848 HB2 ALA 110 2HB ALA 110 -4.329 6.184 -0.148 849 HB3 ALA 110 3HB ALA 110 -5.388 5.116 0.772 850 H LYS 111 H LYS 111 -7.821 6.215 0.907 851 HA LYS 111 HA LYS 111 -8.876 6.548 3.548 852 HB2 LYS 111 1HB LYS 111 -9.869 5.458 0.961 853 HB3 LYS 111 2HB LYS 111 -10.696 4.953 2.429 854 HG2 LYS 111 1HG LYS 111 -10.217 7.841 1.757 855 HG3 LYS 111 2HG LYS 111 -11.648 6.957 1.221 856 HD2 LYS 111 1HD LYS 111 -10.925 6.847 4.104 857 HD3 LYS 111 2HD LYS 111 -11.630 8.339 3.478 858 HE2 LYS 111 1HE LYS 111 -12.821 5.572 3.350 859 HE3 LYS 111 2HE LYS 111 -13.383 6.923 4.334 860 HZ1 LYS 111 1HZ LYS 111 -14.779 7.191 2.606 861 HZ2 LYS 111 2HZ LYS 111 -13.766 6.409 1.500 862 HZ3 LYS 111 3HZ LYS 111 -13.472 8.020 1.922 863 H SER 112 H SER 112 -6.598 5.103 3.850 864 HA SER 112 HA SER 112 -7.265 2.282 4.009 865 HB2 SER 112 1HB SER 112 -5.021 1.895 4.210 866 HB3 SER 112 2HB SER 112 -4.925 3.504 3.494 867 HG SER 112 HG SER 112 -3.660 3.106 5.475 868 HA PRO 113 HA PRO 113 -6.054 0.625 5.297 869 HB2 PRO 113 1HB PRO 113 -7.455 -1.374 6.486 870 HB3 PRO 113 2HB PRO 113 -6.003 -0.662 7.200 871 HG2 PRO 113 1HG PRO 113 -8.881 -0.107 7.810 872 HG3 PRO 113 2HG PRO 113 -7.520 -0.309 8.928 873 HD2 PRO 113 1HD PRO 113 -8.487 2.123 8.235 874 HD3 PRO 113 2HD PRO 113 -6.773 1.848 8.608 875 H TYR 114 H TYR 114 -7.043 -1.146 3.972 876 HA TYR 114 HA TYR 114 -9.691 -0.328 2.970 877 HB2 TYR 114 1HB TYR 114 -7.204 -1.175 1.528 878 HB3 TYR 114 2HB TYR 114 -8.778 -1.463 0.794 879 HD1 TYR 114 1HD TYR 114 -10.232 0.446 0.192 880 HD2 TYR 114 2HD TYR 114 -6.274 1.026 1.643 881 HE1 TYR 114 1HE TYR 114 -10.267 2.756 -0.651 882 HE2 TYR 114 2HE TYR 114 -6.299 3.338 0.805 883 HH TYR 114 HH TYR 114 -7.435 4.705 -0.790 884 H ILE 115 H ILE 115 -11.247 -1.816 2.979 885 HA ILE 115 HA ILE 115 -10.498 -4.591 3.599 886 HB ILE 115 HB ILE 115 -13.281 -3.497 3.862 887 HG12 ILE 115 1HG1 ILE 115 -12.050 -1.948 5.172 888 HG13 ILE 115 2HG1 ILE 115 -12.674 -3.137 6.310 889 HG21 ILE 115 1HG2 ILE 115 -11.817 -5.680 5.339 890 HG22 ILE 115 2HG2 ILE 115 -13.524 -5.268 5.493 891 HG23 ILE 115 3HG2 ILE 115 -12.911 -5.930 3.979 892 HD11 ILE 115 1HD1 ILE 115 -10.586 -3.208 7.078 893 HD12 ILE 115 2HD1 ILE 115 -10.241 -4.186 5.651 894 HD13 ILE 115 3HD1 ILE 115 -9.928 -2.451 5.628 895 H LEU 116 H LEU 116 -10.563 -5.966 1.959 896 HA LEU 116 HA LEU 116 -12.619 -5.588 -0.116 897 HB2 LEU 116 1HB LEU 116 -9.968 -6.861 -0.678 898 HB3 LEU 116 2HB LEU 116 -11.130 -6.176 -1.812 899 HG LEU 116 HG LEU 116 -9.758 -4.372 0.130 900 HD11 LEU 116 1HD1 LEU 116 -8.133 -4.120 -1.970 901 HD12 LEU 116 2HD1 LEU 116 -8.486 -5.842 -2.099 902 HD13 LEU 116 3HD1 LEU 116 -7.785 -5.194 -0.616 903 HD21 LEU 116 1HD2 LEU 116 -11.497 -4.119 -2.103 904 HD22 LEU 116 2HD2 LEU 116 -9.951 -3.377 -2.518 905 HD23 LEU 116 3HD2 LEU 116 -10.825 -2.850 -1.079 906 H LYS 117 H LYS 117 -14.082 -7.138 0.160 907 HA LYS 117 HA LYS 117 -13.178 -9.822 0.950 908 HB2 LYS 117 1HB LYS 117 -15.583 -10.204 1.526 909 HB3 LYS 117 2HB LYS 117 -14.805 -8.945 2.476 910 HG2 LYS 117 1HG LYS 117 -16.266 -8.139 0.020 911 HG3 LYS 117 2HG LYS 117 -17.204 -8.621 1.435 912 HD2 LYS 117 1HD LYS 117 -14.965 -6.700 1.821 913 HD3 LYS 117 2HD LYS 117 -16.444 -6.113 1.056 914 HE2 LYS 117 1HE LYS 117 -16.556 -7.685 3.603 915 HE3 LYS 117 2HE LYS 117 -16.205 -5.957 3.629 916 HZ1 LYS 117 1HZ LYS 117 -18.447 -5.872 3.773 917 HZ2 LYS 117 2HZ LYS 117 -18.687 -7.339 2.967 918 HZ3 LYS 117 3HZ LYS 117 -18.335 -5.938 2.086 919 H GLY 118 H GLY 118 -14.165 -8.054 -1.718 920 HA2 GLY 118 1HA GLY 118 -14.528 -8.715 -3.896 921 HA3 GLY 118 2HA GLY 118 -14.246 -10.373 -3.383 922 H SER 119 H SER 119 -16.416 -8.615 -4.909 923 HA SER 119 HA SER 119 -18.595 -10.380 -4.182 924 HB2 SER 119 1HB SER 119 -20.158 -8.741 -3.532 925 HB3 SER 119 2HB SER 119 -18.685 -8.291 -2.673 926 HG SER 119 HG SER 119 -19.547 -6.464 -3.640 927 H GLY 120 H GLY 120 -20.169 -10.572 -5.789 928 HA2 GLY 120 1HA GLY 120 -19.770 -8.971 -8.224 929 HA3 GLY 120 2HA GLY 120 -19.727 -10.724 -8.332 930 HA PRO 121 HA PRO 121 -24.254 -9.306 -7.235 931 HB2 PRO 121 1HB PRO 121 -24.830 -6.761 -7.983 932 HB3 PRO 121 2HB PRO 121 -24.245 -7.178 -6.369 933 HG2 PRO 121 1HG PRO 121 -22.730 -6.090 -8.710 934 HG3 PRO 121 2HG PRO 121 -22.625 -5.633 -7.000 935 HD2 PRO 121 1HD PRO 121 -20.824 -7.273 -8.182 936 HD3 PRO 121 2HD PRO 121 -21.278 -7.427 -6.473 937 H SER 122 H SER 122 -24.642 -10.731 -8.950 938 HA SER 122 HA SER 122 -25.819 -9.546 -11.273 939 HB2 SER 122 1HB SER 122 -23.280 -9.663 -11.740 940 HB3 SER 122 2HB SER 122 -23.524 -11.405 -11.858 941 HG SER 122 HG SER 122 -23.708 -10.060 -13.855 942 H SER 123 H SER 123 -26.309 -11.479 -12.916 943 HA SER 123 HA SER 123 -27.930 -13.303 -11.431 944 HB2 SER 123 1HB SER 123 -27.306 -13.200 -14.393 945 HB3 SER 123 2HB SER 123 -28.560 -14.194 -13.652 946 HG SER 123 HG SER 123 -28.421 -11.360 -13.534 947 H GLY 124 H GLY 124 -27.711 -15.498 -11.147 948 HA2 GLY 124 1HA GLY 124 -26.640 -17.602 -11.707 949 HA3 GLY 124 2HA GLY 124 -25.173 -16.699 -12.052 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -0.635 16.912 14.780 2 HA2 GLY 1 1HA GLY 1 -2.807 18.765 14.012 3 HA3 GLY 1 2HA GLY 1 -1.472 19.245 15.049 4 H SER 2 H SER 2 0.138 20.290 14.098 5 HA SER 2 HA SER 2 0.988 19.594 11.418 6 HB2 SER 2 1HB SER 2 -0.103 22.345 12.056 7 HB3 SER 2 2HB SER 2 0.787 21.936 10.589 8 HG SER 2 HG SER 2 -1.649 20.739 11.427 9 H SER 3 H SER 3 3.099 20.125 11.013 10 HA SER 3 HA SER 3 4.555 21.348 13.259 11 HB2 SER 3 1HB SER 3 5.369 19.286 11.215 12 HB3 SER 3 2HB SER 3 6.556 20.151 12.191 13 HG SER 3 HG SER 3 4.436 19.039 13.580 14 H GLY 4 H GLY 4 6.703 22.371 12.520 15 HA2 GLY 4 1HA GLY 4 7.830 23.519 10.674 16 HA3 GLY 4 2HA GLY 4 6.238 23.914 10.044 17 H SER 5 H SER 5 7.738 26.011 10.180 18 HA SER 5 HA SER 5 7.870 28.133 10.992 19 HB2 SER 5 1HB SER 5 5.340 27.514 11.464 20 HB3 SER 5 2HB SER 5 5.872 27.572 13.144 21 HG SER 5 HG SER 5 5.119 29.596 11.824 22 H SER 6 H SER 6 9.705 26.275 11.922 23 HA SER 6 HA SER 6 10.007 26.892 14.778 24 HB2 SER 6 1HB SER 6 11.570 25.048 14.883 25 HB3 SER 6 2HB SER 6 10.109 24.496 14.065 26 HG SER 6 HG SER 6 11.771 23.802 12.818 27 H GLY 7 H GLY 7 11.767 26.961 11.698 28 HA2 GLY 7 1HA GLY 7 13.144 29.357 12.428 29 HA3 GLY 7 2HA GLY 7 14.201 27.956 12.516 30 H GLU 8 H GLU 8 11.594 28.683 10.220 31 HA GLU 8 HA GLU 8 13.469 29.251 8.101 32 HB2 GLU 8 1HB GLU 8 12.844 27.406 6.666 33 HB3 GLU 8 2HB GLU 8 13.475 26.777 8.182 34 HG2 GLU 8 1HG GLU 8 11.068 26.569 8.936 35 HG3 GLU 8 2HG GLU 8 10.623 26.874 7.258 36 H THR 9 H THR 9 12.405 29.888 6.108 37 HA THR 9 HA THR 9 9.847 31.169 6.660 38 HB THR 9 HB THR 9 10.223 32.389 4.549 39 HG1 THR 9 1HG THR 9 12.470 32.062 3.683 40 HG21 THR 9 1HG2 THR 9 11.346 32.926 6.878 41 HG22 THR 9 2HG2 THR 9 11.741 33.865 5.439 42 HG23 THR 9 3HG2 THR 9 12.827 32.587 5.985 43 H GLY 10 H GLY 10 8.375 31.325 4.606 44 HA2 GLY 10 1HA GLY 10 7.750 28.562 3.884 45 HA3 GLY 10 2HA GLY 10 6.685 29.948 3.705 46 H GLY 11 H GLY 11 6.444 28.688 1.579 47 HA2 GLY 11 1HA GLY 11 6.749 29.754 -0.661 48 HA3 GLY 11 2HA GLY 11 8.473 29.674 -0.331 49 H GLU 12 H GLU 12 8.620 27.102 0.762 50 HA GLU 12 HA GLU 12 8.740 25.545 -1.599 51 HB2 GLU 12 1HB GLU 12 9.047 24.850 1.318 52 HB3 GLU 12 2HB GLU 12 9.222 23.656 0.041 53 HG2 GLU 12 1HG GLU 12 11.389 24.434 0.677 54 HG3 GLU 12 2HG GLU 12 11.026 25.027 -0.942 55 H ARG 13 H ARG 13 7.785 23.225 -1.555 56 HA ARG 13 HA ARG 13 4.906 23.537 -1.411 57 HB2 ARG 13 1HB ARG 13 4.836 21.366 -2.566 58 HB3 ARG 13 2HB ARG 13 5.870 22.517 -3.401 59 HG2 ARG 13 1HG ARG 13 7.785 21.397 -2.072 60 HG3 ARG 13 2HG ARG 13 6.627 20.084 -1.843 61 HD2 ARG 13 1HD ARG 13 6.348 19.921 -4.275 62 HD3 ARG 13 2HD ARG 13 7.521 21.219 -4.491 63 HE ARG 13 HE ARG 13 8.074 18.463 -3.898 64 HH11 ARG 13 1HH1 ARG 13 9.259 21.730 -3.684 65 HH12 ARG 13 2HH1 ARG 13 10.925 21.259 -3.604 66 HH21 ARG 13 1HH2 ARG 13 10.263 17.831 -3.792 67 HH22 ARG 13 2HH2 ARG 13 11.495 19.041 -3.666 68 H GLN 14 H GLN 14 3.528 21.926 -0.412 69 HA GLN 14 HA GLN 14 4.788 20.617 1.907 70 HB2 GLN 14 1HB GLN 14 2.400 21.022 2.932 71 HB3 GLN 14 2HB GLN 14 3.622 22.286 2.977 72 HG2 GLN 14 1HG GLN 14 2.602 23.188 0.860 73 HG3 GLN 14 2HG GLN 14 1.278 22.052 1.115 74 HE21 GLN 14 1HE2 GLN 14 1.548 22.355 4.052 75 HE22 GLN 14 2HE2 GLN 14 0.795 23.865 4.422 76 H LEU 15 H LEU 15 4.907 18.661 0.718 77 HA LEU 15 HA LEU 15 2.999 17.370 -0.727 78 HB2 LEU 15 1HB LEU 15 4.935 16.179 -0.657 79 HB3 LEU 15 2HB LEU 15 5.174 16.463 1.066 80 HG LEU 15 HG LEU 15 3.578 14.733 1.613 81 HD11 LEU 15 1HD1 LEU 15 1.911 14.436 0.156 82 HD12 LEU 15 2HD1 LEU 15 3.022 13.352 -0.680 83 HD13 LEU 15 3HD1 LEU 15 2.866 15.029 -1.203 84 HD21 LEU 15 1HD2 LEU 15 5.037 13.048 1.306 85 HD22 LEU 15 2HD2 LEU 15 6.066 14.318 0.643 86 HD23 LEU 15 3HD2 LEU 15 5.120 13.295 -0.439 87 H SER 16 H SER 16 1.027 16.586 -0.386 88 HA SER 16 HA SER 16 0.121 16.277 2.402 89 HB2 SER 16 1HB SER 16 -1.588 16.862 -0.026 90 HB3 SER 16 2HB SER 16 -2.117 16.835 1.656 91 HG SER 16 HG SER 16 -0.682 18.604 2.024 92 HA PRO 17 HA PRO 17 -0.101 11.963 1.241 93 HB2 PRO 17 1HB PRO 17 -0.828 11.082 3.704 94 HB3 PRO 17 2HB PRO 17 0.836 11.512 3.290 95 HG2 PRO 17 1HG PRO 17 -1.233 13.121 4.736 96 HG3 PRO 17 2HG PRO 17 0.490 12.926 5.104 97 HD2 PRO 17 1HD PRO 17 -0.491 15.109 3.838 98 HD3 PRO 17 2HD PRO 17 1.133 14.468 3.516 99 H GLU 18 H GLU 18 -2.598 13.701 3.056 100 HA GLU 18 HA GLU 18 -4.659 11.804 2.627 101 HB2 GLU 18 1HB GLU 18 -6.175 13.734 3.228 102 HB3 GLU 18 2HB GLU 18 -4.943 13.337 4.418 103 HG2 GLU 18 1HG GLU 18 -3.624 15.207 3.810 104 HG3 GLU 18 2HG GLU 18 -4.606 15.517 2.380 105 H LYS 19 H LYS 19 -3.644 14.711 0.896 106 HA LYS 19 HA LYS 19 -5.783 14.779 -0.944 107 HB2 LYS 19 1HB LYS 19 -2.965 15.851 -1.115 108 HB3 LYS 19 2HB LYS 19 -4.199 16.170 -2.326 109 HG2 LYS 19 1HG LYS 19 -4.841 16.783 0.505 110 HG3 LYS 19 2HG LYS 19 -3.716 17.844 -0.345 111 HD2 LYS 19 1HD LYS 19 -6.014 18.658 -0.527 112 HD3 LYS 19 2HD LYS 19 -5.371 18.201 -2.106 113 HE2 LYS 19 1HE LYS 19 -6.628 16.205 -2.149 114 HE3 LYS 19 2HE LYS 19 -7.015 16.320 -0.433 115 HZ1 LYS 19 1HZ LYS 19 -8.884 16.937 -1.871 116 HZ2 LYS 19 2HZ LYS 19 -7.974 18.208 -2.515 117 HZ3 LYS 19 3HZ LYS 19 -8.401 18.219 -0.878 118 H SER 20 H SER 20 -2.632 13.193 -1.003 119 HA SER 20 HA SER 20 -2.458 12.385 -3.619 120 HB2 SER 20 1HB SER 20 -1.700 10.870 -1.113 121 HB3 SER 20 2HB SER 20 -1.229 10.371 -2.738 122 HG SER 20 HG SER 20 -0.575 12.823 -1.463 123 H GLU 21 H GLU 21 -3.459 10.961 -4.915 124 HA GLU 21 HA GLU 21 -5.651 9.385 -3.743 125 HB2 GLU 21 1HB GLU 21 -6.329 9.325 -6.289 126 HB3 GLU 21 2HB GLU 21 -6.712 10.716 -5.285 127 HG2 GLU 21 1HG GLU 21 -4.882 11.956 -6.172 128 HG3 GLU 21 2HG GLU 21 -4.262 10.539 -7.018 129 H ILE 22 H ILE 22 -5.229 7.299 -3.523 130 HA ILE 22 HA ILE 22 -3.207 6.040 -5.213 131 HB ILE 22 HB ILE 22 -4.635 4.972 -2.775 132 HG12 ILE 22 1HG1 ILE 22 -1.822 6.034 -3.128 133 HG13 ILE 22 2HG1 ILE 22 -3.128 6.842 -2.267 134 HG21 ILE 22 1HG2 ILE 22 -2.599 3.802 -4.618 135 HG22 ILE 22 2HG2 ILE 22 -2.597 3.352 -2.913 136 HG23 ILE 22 3HG2 ILE 22 -4.027 3.056 -3.902 137 HD11 ILE 22 1HD1 ILE 22 -1.447 4.549 -1.453 138 HD12 ILE 22 2HD1 ILE 22 -2.052 5.911 -0.508 139 HD13 ILE 22 3HD1 ILE 22 -3.124 4.569 -0.908 140 H TRP 23 H TRP 23 -4.100 5.505 -7.136 141 HA TRP 23 HA TRP 23 -6.575 3.908 -7.085 142 HB2 TRP 23 1HB TRP 23 -7.080 4.686 -9.279 143 HB3 TRP 23 2HB TRP 23 -6.607 6.104 -8.347 144 HD1 TRP 23 HD TRP 23 -5.430 3.881 -11.225 145 HE1 TRP 23 1HE TRP 23 -3.533 5.089 -12.477 146 HE3 TRP 23 3HE TRP 23 -4.735 7.820 -8.040 147 HZ2 TRP 23 2HZ TRP 23 -1.951 7.404 -12.157 148 HZ3 TRP 23 3HZ TRP 23 -3.009 9.486 -8.585 149 HH2 TRP 23 HH TRP 23 -1.646 9.281 -10.601 150 H GLY 24 H GLY 24 -6.711 2.349 -9.003 151 HA2 GLY 24 1HA GLY 24 -4.815 1.283 -10.533 152 HA3 GLY 24 2HA GLY 24 -4.286 0.732 -8.950 153 HA PRO 25 HA PRO 25 -7.808 -1.907 -10.889 154 HB2 PRO 25 1HB PRO 25 -6.359 -3.776 -12.222 155 HB3 PRO 25 2HB PRO 25 -6.948 -2.294 -12.984 156 HG2 PRO 25 1HG PRO 25 -4.229 -2.913 -11.896 157 HG3 PRO 25 2HG PRO 25 -4.670 -2.088 -13.402 158 HD2 PRO 25 1HD PRO 25 -3.887 -0.749 -11.182 159 HD3 PRO 25 2HD PRO 25 -5.061 -0.082 -12.335 160 H GLY 26 H GLY 26 -5.174 -2.110 -8.868 161 HA2 GLY 26 1HA GLY 26 -5.230 -4.886 -8.198 162 HA3 GLY 26 2HA GLY 26 -4.479 -3.605 -7.258 163 H LEU 27 H LEU 27 -6.683 -1.994 -6.743 164 HA LEU 27 HA LEU 27 -7.775 -3.209 -4.482 165 HB2 LEU 27 1HB LEU 27 -8.767 -0.863 -6.091 166 HB3 LEU 27 2HB LEU 27 -9.402 -1.322 -4.512 167 HG LEU 27 HG LEU 27 -6.489 -0.725 -4.828 168 HD11 LEU 27 1HD1 LEU 27 -7.054 1.638 -4.184 169 HD12 LEU 27 2HD1 LEU 27 -8.722 1.282 -4.632 170 HD13 LEU 27 3HD1 LEU 27 -7.445 1.192 -5.845 171 HD21 LEU 27 1HD2 LEU 27 -8.287 -1.332 -2.700 172 HD22 LEU 27 2HD2 LEU 27 -7.655 0.298 -2.466 173 HD23 LEU 27 3HD2 LEU 27 -6.545 -1.062 -2.637 174 H LYS 28 H LYS 28 -8.778 -3.281 -7.796 175 HA LYS 28 HA LYS 28 -11.471 -3.879 -7.605 176 HB2 LYS 28 1HB LYS 28 -9.424 -4.990 -9.533 177 HB3 LYS 28 2HB LYS 28 -11.165 -5.130 -9.739 178 HG2 LYS 28 1HG LYS 28 -11.119 -2.534 -9.542 179 HG3 LYS 28 2HG LYS 28 -9.417 -2.725 -9.968 180 HD2 LYS 28 1HD LYS 28 -10.110 -4.012 -11.969 181 HD3 LYS 28 2HD LYS 28 -11.795 -3.689 -11.558 182 HE2 LYS 28 1HE LYS 28 -11.570 -1.393 -11.967 183 HE3 LYS 28 2HE LYS 28 -9.810 -1.465 -11.905 184 HZ1 LYS 28 1HZ LYS 28 -11.404 -1.593 -14.153 185 HZ2 LYS 28 2HZ LYS 28 -10.805 -3.160 -13.946 186 HZ3 LYS 28 3HZ LYS 28 -9.735 -1.856 -14.071 187 H ALA 29 H ALA 29 -12.666 -5.654 -7.129 188 HA ALA 29 HA ALA 29 -11.646 -7.611 -5.415 189 HB1 ALA 29 1HB ALA 29 -13.873 -8.816 -6.185 190 HB2 ALA 29 2HB ALA 29 -13.898 -7.390 -5.147 191 HB3 ALA 29 3HB ALA 29 -14.202 -7.227 -6.877 192 H ASP 30 H ASP 30 -12.567 -7.886 -8.846 193 HA ASP 30 HA ASP 30 -11.311 -10.515 -8.981 194 HB2 ASP 30 1HB ASP 30 -12.646 -9.064 -11.261 195 HB3 ASP 30 2HB ASP 30 -12.396 -10.797 -11.066 196 H VAL 31 H VAL 31 -9.145 -10.357 -9.087 197 HA VAL 31 HA VAL 31 -7.942 -8.371 -10.873 198 HB VAL 31 HB VAL 31 -5.782 -9.114 -9.816 199 HG11 VAL 31 1HG1 VAL 31 -7.369 -8.274 -7.506 200 HG12 VAL 31 2HG1 VAL 31 -6.017 -7.472 -8.309 201 HG13 VAL 31 3HG1 VAL 31 -7.649 -7.315 -8.959 202 HG21 VAL 31 1HG2 VAL 31 -7.444 -10.399 -7.685 203 HG22 VAL 31 2HG2 VAL 31 -6.897 -11.335 -9.076 204 HG23 VAL 31 3HG2 VAL 31 -5.719 -10.569 -8.011 205 H VAL 32 H VAL 32 -5.674 -9.390 -11.716 206 HA VAL 32 HA VAL 32 -6.422 -11.183 -13.775 207 HB VAL 32 HB VAL 32 -4.002 -11.254 -14.320 208 HG11 VAL 32 1HG1 VAL 32 -4.591 -9.457 -15.489 209 HG12 VAL 32 2HG1 VAL 32 -5.710 -8.932 -14.229 210 HG13 VAL 32 3HG1 VAL 32 -4.009 -8.471 -14.148 211 HG21 VAL 32 1HG2 VAL 32 -2.849 -11.164 -12.312 212 HG22 VAL 32 2HG2 VAL 32 -2.615 -9.539 -12.956 213 HG23 VAL 32 3HG2 VAL 32 -3.818 -9.824 -11.698 214 H LEU 33 H LEU 33 -4.814 -13.133 -14.191 215 HA LEU 33 HA LEU 33 -5.496 -15.143 -12.364 216 HB2 LEU 33 1HB LEU 33 -3.760 -14.918 -14.740 217 HB3 LEU 33 2HB LEU 33 -3.405 -16.253 -13.645 218 HG LEU 33 HG LEU 33 -6.173 -15.816 -14.719 219 HD11 LEU 33 1HD1 LEU 33 -5.195 -17.812 -16.264 220 HD12 LEU 33 2HD1 LEU 33 -3.790 -16.753 -16.155 221 HD13 LEU 33 3HD1 LEU 33 -5.319 -16.127 -16.772 222 HD21 LEU 33 1HD2 LEU 33 -4.674 -18.215 -13.673 223 HD22 LEU 33 2HD2 LEU 33 -6.310 -18.251 -14.331 224 HD23 LEU 33 3HD2 LEU 33 -5.972 -17.341 -12.858 225 HA PRO 34 HA PRO 34 -0.931 -15.014 -10.796 226 HB2 PRO 34 1HB PRO 34 0.612 -12.934 -11.611 227 HB3 PRO 34 2HB PRO 34 0.501 -14.455 -12.505 228 HG2 PRO 34 1HG PRO 34 -0.900 -11.857 -13.005 229 HG3 PRO 34 2HG PRO 34 -0.141 -12.961 -14.167 230 HD2 PRO 34 1HD PRO 34 -2.816 -12.895 -13.755 231 HD3 PRO 34 2HD PRO 34 -1.954 -14.384 -14.192 232 H ALA 35 H ALA 35 -0.603 -11.589 -11.229 233 HA ALA 35 HA ALA 35 -2.085 -10.906 -8.841 234 HB1 ALA 35 1HB ALA 35 0.790 -11.363 -8.774 235 HB2 ALA 35 2HB ALA 35 0.328 -9.764 -8.189 236 HB3 ALA 35 3HB ALA 35 -0.365 -11.207 -7.450 237 H ARG 36 H ARG 36 -2.020 -8.557 -8.401 238 HA ARG 36 HA ARG 36 -1.428 -7.014 -10.840 239 HB2 ARG 36 1HB ARG 36 -3.873 -7.122 -9.151 240 HB3 ARG 36 2HB ARG 36 -3.403 -5.551 -9.788 241 HG2 ARG 36 1HG ARG 36 -3.496 -7.842 -11.671 242 HG3 ARG 36 2HG ARG 36 -5.023 -7.167 -11.101 243 HD2 ARG 36 1HD ARG 36 -4.658 -5.884 -12.967 244 HD3 ARG 36 2HD ARG 36 -3.895 -4.888 -11.729 245 HE ARG 36 HE ARG 36 -1.870 -6.453 -12.631 246 HH11 ARG 36 1HH1 ARG 36 -4.175 -4.350 -14.176 247 HH12 ARG 36 2HH1 ARG 36 -3.112 -3.925 -15.476 248 HH21 ARG 36 1HH2 ARG 36 -0.461 -5.901 -14.338 249 HH22 ARG 36 2HH2 ARG 36 -1.000 -4.809 -15.568 250 H TYR 37 H TYR 37 -1.353 -4.589 -10.342 251 HA TYR 37 HA TYR 37 -0.260 -4.021 -7.689 252 HB2 TYR 37 1HB TYR 37 1.636 -2.755 -8.826 253 HB3 TYR 37 2HB TYR 37 1.744 -4.512 -8.850 254 HD1 TYR 37 1HD TYR 37 1.009 -1.525 -10.885 255 HD2 TYR 37 2HD TYR 37 1.682 -5.726 -10.906 256 HE1 TYR 37 1HE TYR 37 1.232 -1.470 -13.333 257 HE2 TYR 37 2HE TYR 37 1.907 -5.683 -13.355 258 HH TYR 37 HH TYR 37 1.634 -4.440 -15.207 259 H PHE 38 H PHE 38 0.067 -1.659 -7.352 260 HA PHE 38 HA PHE 38 -1.765 -0.051 -9.001 261 HB2 PHE 38 1HB PHE 38 -2.495 1.104 -6.919 262 HB3 PHE 38 2HB PHE 38 -2.945 -0.597 -6.961 263 HD1 PHE 38 1HD PHE 38 -1.620 -2.242 -5.626 264 HD2 PHE 38 2HD PHE 38 -1.122 1.965 -5.217 265 HE1 PHE 38 1HE PHE 38 -0.519 -2.587 -3.453 266 HE2 PHE 38 2HE PHE 38 -0.019 1.627 -3.044 267 HZ PHE 38 HZ PHE 38 0.285 -0.652 -2.159 268 H TYR 39 H TYR 39 -1.489 2.389 -8.183 269 HA TYR 39 HA TYR 39 1.402 2.932 -8.026 270 HB2 TYR 39 1HB TYR 39 -0.442 4.744 -9.544 271 HB3 TYR 39 2HB TYR 39 1.298 4.542 -9.706 272 HD1 TYR 39 2HD TYR 39 2.103 2.240 -10.615 273 HD2 TYR 39 1HD TYR 39 -1.867 3.706 -11.057 274 HE1 TYR 39 2HE TYR 39 1.752 0.703 -12.503 275 HE2 TYR 39 1HE TYR 39 -2.229 2.172 -12.946 276 HH TYR 39 HH TYR 39 -0.961 0.932 -14.580 277 H ILE 40 H ILE 40 2.013 4.872 -6.981 278 HA ILE 40 HA ILE 40 -0.096 6.053 -5.293 279 HB ILE 40 HB ILE 40 2.788 5.573 -4.537 280 HG12 ILE 40 1HG1 ILE 40 0.460 4.375 -3.099 281 HG13 ILE 40 2HG1 ILE 40 0.969 3.649 -4.619 282 HG21 ILE 40 1HG2 ILE 40 0.558 7.066 -3.242 283 HG22 ILE 40 2HG2 ILE 40 1.732 6.226 -2.231 284 HG23 ILE 40 3HG2 ILE 40 2.270 7.473 -3.355 285 HD11 ILE 40 1HD1 ILE 40 3.215 4.135 -2.872 286 HD12 ILE 40 2HD1 ILE 40 1.988 3.126 -2.104 287 HD13 ILE 40 3HD1 ILE 40 2.687 2.643 -3.650 288 H GLN 41 H GLN 41 -0.493 7.990 -6.182 289 HA GLN 41 HA GLN 41 1.732 9.613 -7.161 290 HB2 GLN 41 1HB GLN 41 -0.055 9.527 -8.710 291 HB3 GLN 41 2HB GLN 41 -1.257 9.812 -7.459 292 HG2 GLN 41 1HG GLN 41 -1.126 11.830 -8.604 293 HG3 GLN 41 2HG GLN 41 -0.153 12.089 -7.157 294 HE21 GLN 41 1HE2 GLN 41 1.420 13.422 -7.714 295 HE22 GLN 41 2HE2 GLN 41 2.457 13.246 -9.085 296 H ALA 42 H ALA 42 2.482 11.358 -6.126 297 HA ALA 42 HA ALA 42 1.388 11.985 -3.512 298 HB1 ALA 42 1HB ALA 42 3.760 13.303 -4.803 299 HB2 ALA 42 2HB ALA 42 3.391 13.141 -3.085 300 HB3 ALA 42 3HB ALA 42 3.864 11.724 -4.023 301 H VAL 43 H VAL 43 0.391 13.852 -2.931 302 HA VAL 43 HA VAL 43 0.106 15.961 -4.957 303 HB VAL 43 HB VAL 43 -2.160 14.801 -3.329 304 HG11 VAL 43 1HG1 VAL 43 -2.352 17.224 -3.551 305 HG12 VAL 43 2HG1 VAL 43 -2.162 17.086 -5.300 306 HG13 VAL 43 3HG1 VAL 43 -3.582 16.400 -4.509 307 HG21 VAL 43 1HG2 VAL 43 -3.090 14.107 -5.452 308 HG22 VAL 43 2HG2 VAL 43 -1.732 14.827 -6.316 309 HG23 VAL 43 3HG2 VAL 43 -1.471 13.433 -5.267 310 H ASP 44 H ASP 44 0.145 18.014 -4.189 311 HA ASP 44 HA ASP 44 0.954 18.383 -1.445 312 HB2 ASP 44 1HB ASP 44 1.342 20.699 -2.070 313 HB3 ASP 44 2HB ASP 44 2.019 19.635 -3.299 314 H THR 45 H THR 45 -0.023 20.598 -0.488 315 HA THR 45 HA THR 45 -2.653 19.949 0.317 316 HB THR 45 HB THR 45 -2.646 22.043 1.546 317 HG1 THR 45 1HG THR 45 -1.257 22.973 -0.412 318 HG21 THR 45 1HG2 THR 45 -0.362 21.800 2.690 319 HG22 THR 45 2HG2 THR 45 -0.076 20.485 1.551 320 HG23 THR 45 3HG2 THR 45 -1.424 20.393 2.683 321 H SER 46 H SER 46 -1.505 21.481 -2.457 322 HA SER 46 HA SER 46 -3.928 23.061 -2.861 323 HB2 SER 46 1HB SER 46 -1.272 22.900 -4.251 324 HB3 SER 46 2HB SER 46 -2.659 23.608 -5.078 325 HG SER 46 HG SER 46 -1.241 25.050 -3.776 326 H GLY 47 H GLY 47 -3.301 19.944 -3.106 327 HA2 GLY 47 1HA GLY 47 -4.341 18.229 -4.232 328 HA3 GLY 47 2HA GLY 47 -5.383 19.435 -4.972 329 H ASN 48 H ASN 48 -1.975 19.819 -5.323 330 HA ASN 48 HA ASN 48 -2.232 19.138 -8.165 331 HB2 ASN 48 1HB ASN 48 -0.219 20.848 -6.692 332 HB3 ASN 48 2HB ASN 48 -0.113 20.465 -8.408 333 HD21 ASN 48 1HD2 ASN 48 -1.105 22.717 -6.247 334 HD22 ASN 48 2HD2 ASN 48 -2.275 23.550 -7.208 335 H LYS 49 H LYS 49 -0.859 17.714 -9.173 336 HA LYS 49 HA LYS 49 0.319 15.693 -7.528 337 HB2 LYS 49 1HB LYS 49 0.184 16.139 -10.503 338 HB3 LYS 49 2HB LYS 49 1.100 14.807 -9.809 339 HG2 LYS 49 1HG LYS 49 -0.880 13.761 -10.210 340 HG3 LYS 49 2HG LYS 49 -1.170 14.332 -8.566 341 HD2 LYS 49 1HD LYS 49 -3.111 14.942 -9.704 342 HD3 LYS 49 2HD LYS 49 -2.156 16.427 -9.697 343 HE2 LYS 49 1HE LYS 49 -1.349 15.867 -11.968 344 HE3 LYS 49 2HE LYS 49 -2.402 14.453 -11.966 345 HZ1 LYS 49 1HZ LYS 49 -3.790 15.906 -12.963 346 HZ2 LYS 49 2HZ LYS 49 -3.077 17.270 -12.261 347 HZ3 LYS 49 3HZ LYS 49 -4.162 16.329 -11.367 348 H PHE 50 H PHE 50 2.378 15.441 -6.912 349 HA PHE 50 HA PHE 50 4.234 17.548 -7.174 350 HB2 PHE 50 1HB PHE 50 4.259 14.811 -6.016 351 HB3 PHE 50 2HB PHE 50 5.822 15.541 -6.371 352 HD1 PHE 50 1HD PHE 50 2.582 16.472 -4.768 353 HD2 PHE 50 2HD PHE 50 6.830 16.728 -4.693 354 HE1 PHE 50 1HE PHE 50 2.465 17.734 -2.660 355 HE2 PHE 50 2HE PHE 50 6.720 17.990 -2.584 356 HZ PHE 50 HZ PHE 50 4.536 18.494 -1.564 357 H THR 51 H THR 51 3.837 14.495 -8.878 358 HA THR 51 HA THR 51 4.943 13.567 -10.654 359 HB THR 51 HB THR 51 5.178 15.005 -12.586 360 HG1 THR 51 1HG THR 51 4.624 17.365 -12.054 361 HG21 THR 51 1HG2 THR 51 2.960 15.036 -12.790 362 HG22 THR 51 2HG2 THR 51 2.848 16.407 -11.685 363 HG23 THR 51 3HG2 THR 51 2.823 14.761 -11.054 364 H SER 52 H SER 52 6.619 14.534 -8.373 365 HA SER 52 HA SER 52 9.173 14.618 -9.831 366 HB2 SER 52 1HB SER 52 10.074 16.102 -8.044 367 HB3 SER 52 2HB SER 52 8.785 16.859 -8.980 368 HG SER 52 HG SER 52 7.749 17.093 -7.181 369 H SER 53 H SER 53 11.022 14.205 -8.114 370 HA SER 53 HA SER 53 10.268 11.722 -6.744 371 HB2 SER 53 1HB SER 53 12.616 11.110 -6.866 372 HB3 SER 53 2HB SER 53 12.067 11.614 -8.464 373 HG SER 53 HG SER 53 12.905 13.797 -7.580 374 HA PRO 54 HA PRO 54 10.665 14.234 -3.025 375 HB2 PRO 54 1HB PRO 54 9.550 12.377 -1.388 376 HB3 PRO 54 2HB PRO 54 8.593 13.451 -2.415 377 HG2 PRO 54 1HG PRO 54 9.389 10.602 -2.876 378 HG3 PRO 54 2HG PRO 54 7.824 11.386 -3.159 379 HD2 PRO 54 1HD PRO 54 9.591 10.899 -5.152 380 HD3 PRO 54 2HD PRO 54 8.504 12.302 -5.162 381 H GLY 55 H GLY 55 11.341 10.726 -3.060 382 HA2 GLY 55 1HA GLY 55 14.043 11.022 -2.298 383 HA3 GLY 55 2HA GLY 55 13.078 10.679 -0.870 384 H GLU 56 H GLU 56 14.750 8.817 -1.079 385 HA GLU 56 HA GLU 56 14.164 6.768 -2.987 386 HB2 GLU 56 1HB GLU 56 15.698 5.385 -1.605 387 HB3 GLU 56 2HB GLU 56 16.395 6.925 -2.089 388 HG2 GLU 56 1HG GLU 56 15.039 6.701 0.554 389 HG3 GLU 56 2HG GLU 56 16.665 6.051 0.351 390 H LYS 57 H LYS 57 13.257 7.424 0.346 391 HA LYS 57 HA LYS 57 11.187 5.363 0.132 392 HB2 LYS 57 1HB LYS 57 13.066 5.665 2.482 393 HB3 LYS 57 2HB LYS 57 11.648 4.625 2.454 394 HG2 LYS 57 1HG LYS 57 13.745 4.294 0.361 395 HG3 LYS 57 2HG LYS 57 14.016 3.648 1.981 396 HD2 LYS 57 1HD LYS 57 12.293 2.123 1.805 397 HD3 LYS 57 2HD LYS 57 11.442 3.069 0.581 398 HE2 LYS 57 1HE LYS 57 14.123 1.974 -0.094 399 HE3 LYS 57 2HE LYS 57 12.760 0.857 -0.031 400 HZ1 LYS 57 1HZ LYS 57 11.628 2.085 -1.690 401 HZ2 LYS 57 2HZ LYS 57 13.205 1.856 -2.256 402 HZ3 LYS 57 3HZ LYS 57 12.742 3.357 -1.626 403 H VAL 58 H VAL 58 9.419 6.615 0.170 404 HA VAL 58 HA VAL 58 9.113 8.462 2.443 405 HB VAL 58 HB VAL 58 7.723 9.920 0.963 406 HG11 VAL 58 1HG1 VAL 58 10.480 9.815 1.273 407 HG12 VAL 58 2HG1 VAL 58 10.239 10.080 -0.455 408 HG13 VAL 58 3HG1 VAL 58 9.532 11.193 0.717 409 HG21 VAL 58 1HG2 VAL 58 8.146 9.692 -1.501 410 HG22 VAL 58 2HG2 VAL 58 8.832 8.102 -1.168 411 HG23 VAL 58 3HG2 VAL 58 7.139 8.426 -0.799 412 H PHE 59 H PHE 59 7.397 6.633 -0.077 413 HA PHE 59 HA PHE 59 5.037 6.503 1.651 414 HB2 PHE 59 1HB PHE 59 5.461 5.867 -1.270 415 HB3 PHE 59 2HB PHE 59 3.968 5.486 -0.417 416 HD1 PHE 59 1HD PHE 59 3.386 7.750 1.193 417 HD2 PHE 59 2HD PHE 59 5.125 7.633 -2.690 418 HE1 PHE 59 1HE PHE 59 2.554 10.024 0.756 419 HE2 PHE 59 2HE PHE 59 4.297 9.907 -3.133 420 HZ PHE 59 HZ PHE 59 3.010 11.106 -1.409 421 H GLN 60 H GLN 60 4.725 4.785 2.888 422 HA GLN 60 HA GLN 60 6.045 2.260 2.147 423 HB2 GLN 60 1HB GLN 60 6.744 3.349 4.302 424 HB3 GLN 60 2HB GLN 60 5.108 3.090 4.896 425 HG2 GLN 60 1HG GLN 60 5.393 0.845 5.130 426 HG3 GLN 60 2HG GLN 60 6.583 0.748 3.832 427 HE21 GLN 60 1HE2 GLN 60 8.635 2.079 4.371 428 HE22 GLN 60 2HE2 GLN 60 9.293 1.800 5.944 429 H VAL 61 H VAL 61 4.905 0.327 2.261 430 HA VAL 61 HA VAL 61 1.989 0.577 2.610 431 HB VAL 61 HB VAL 61 3.366 -1.173 0.568 432 HG11 VAL 61 1HG1 VAL 61 0.920 -1.528 1.723 433 HG12 VAL 61 2HG1 VAL 61 0.513 -0.582 0.290 434 HG13 VAL 61 3HG1 VAL 61 1.379 -2.110 0.123 435 HG21 VAL 61 1HG2 VAL 61 3.551 0.709 -0.624 436 HG22 VAL 61 2HG2 VAL 61 1.798 0.625 -0.800 437 HG23 VAL 61 3HG2 VAL 61 2.511 1.612 0.476 438 H LYS 62 H LYS 62 0.961 -1.045 3.695 439 HA LYS 62 HA LYS 62 2.605 -3.308 4.614 440 HB2 LYS 62 1HB LYS 62 2.368 -1.624 6.408 441 HB3 LYS 62 2HB LYS 62 0.619 -1.754 6.284 442 HG2 LYS 62 1HG LYS 62 1.024 -3.129 8.060 443 HG3 LYS 62 2HG LYS 62 1.082 -4.292 6.733 444 HD2 LYS 62 1HD LYS 62 2.964 -4.770 8.065 445 HD3 LYS 62 2HD LYS 62 3.590 -3.872 6.680 446 HE2 LYS 62 1HE LYS 62 4.660 -2.776 8.376 447 HE3 LYS 62 2HE LYS 62 3.189 -1.810 8.272 448 HZ1 LYS 62 1HZ LYS 62 2.407 -2.617 10.228 449 HZ2 LYS 62 2HZ LYS 62 4.061 -2.760 10.549 450 HZ3 LYS 62 3HZ LYS 62 3.174 -4.117 10.068 451 H VAL 63 H VAL 63 1.634 -5.279 4.639 452 HA VAL 63 HA VAL 63 -1.217 -5.385 3.899 453 HB VAL 63 HB VAL 63 0.957 -7.235 2.908 454 HG11 VAL 63 1HG1 VAL 63 -2.023 -7.228 2.612 455 HG12 VAL 63 2HG1 VAL 63 -0.994 -7.949 1.372 456 HG13 VAL 63 3HG1 VAL 63 -0.946 -8.562 3.026 457 HG21 VAL 63 1HG2 VAL 63 0.127 -6.223 0.666 458 HG22 VAL 63 2HG2 VAL 63 -0.456 -4.902 1.678 459 HG23 VAL 63 3HG2 VAL 63 1.261 -5.307 1.660 460 H SER 64 H SER 64 -2.394 -6.365 5.394 461 HA SER 64 HA SER 64 -1.217 -8.610 6.884 462 HB2 SER 64 1HB SER 64 -2.882 -6.378 8.075 463 HB3 SER 64 2HB SER 64 -2.337 -7.816 8.938 464 HG SER 64 HG SER 64 -0.911 -6.128 9.337 465 H ALA 65 H ALA 65 -2.657 -10.230 7.524 466 HA ALA 65 HA ALA 65 -5.160 -10.258 6.003 467 HB1 ALA 65 1HB ALA 65 -3.176 -12.159 6.343 468 HB2 ALA 65 2HB ALA 65 -4.500 -12.732 7.359 469 HB3 ALA 65 3HB ALA 65 -4.775 -12.421 5.645 470 HA PRO 66 HA PRO 66 -7.619 -9.703 9.617 471 HB2 PRO 66 1HB PRO 66 -9.938 -10.786 8.712 472 HB3 PRO 66 2HB PRO 66 -9.342 -9.209 8.180 473 HG2 PRO 66 1HG PRO 66 -9.143 -11.867 6.817 474 HG3 PRO 66 2HG PRO 66 -9.538 -10.282 6.127 475 HD2 PRO 66 1HD PRO 66 -7.075 -11.389 5.921 476 HD3 PRO 66 2HD PRO 66 -7.328 -9.635 6.027 477 H GLU 67 H GLU 67 -8.080 -12.871 8.030 478 HA GLU 67 HA GLU 67 -8.758 -14.165 10.494 479 HB2 GLU 67 1HB GLU 67 -9.472 -14.802 8.090 480 HB3 GLU 67 2HB GLU 67 -7.908 -15.598 7.992 481 HG2 GLU 67 1HG GLU 67 -9.391 -17.282 8.613 482 HG3 GLU 67 2HG GLU 67 -8.580 -16.830 10.112 483 H GLU 68 H GLU 68 -6.057 -14.738 8.230 484 HA GLU 68 HA GLU 68 -4.538 -16.214 10.109 485 HB2 GLU 68 1HB GLU 68 -3.659 -14.823 7.573 486 HB3 GLU 68 2HB GLU 68 -2.696 -15.986 8.474 487 HG2 GLU 68 1HG GLU 68 -5.405 -16.800 7.570 488 HG3 GLU 68 2HG GLU 68 -4.114 -16.693 6.375 489 H GLN 69 H GLN 69 -3.664 -15.402 11.890 490 HA GLN 69 HA GLN 69 -3.291 -12.702 12.455 491 HB2 GLN 69 1HB GLN 69 -1.915 -13.460 14.350 492 HB3 GLN 69 2HB GLN 69 -3.401 -14.390 14.204 493 HG2 GLN 69 1HG GLN 69 -2.178 -16.212 13.158 494 HG3 GLN 69 2HG GLN 69 -0.687 -15.277 13.252 495 HE21 GLN 69 1HE2 GLN 69 0.556 -15.603 14.953 496 HE22 GLN 69 2HE2 GLN 69 0.068 -16.329 16.442 497 H PHE 70 H PHE 70 -1.371 -14.848 10.595 498 HA PHE 70 HA PHE 70 0.573 -12.717 10.148 499 HB2 PHE 70 1HB PHE 70 1.368 -14.430 11.933 500 HB3 PHE 70 2HB PHE 70 1.583 -15.516 10.564 501 HD1 PHE 70 2HD PHE 70 2.560 -12.174 11.850 502 HD2 PHE 70 1HD PHE 70 3.521 -15.434 9.287 503 HE1 PHE 70 2HE PHE 70 4.763 -11.172 11.407 504 HE2 PHE 70 1HE PHE 70 5.726 -14.437 8.841 505 HZ PHE 70 HZ PHE 70 6.349 -12.303 9.901 506 H THR 71 H THR 71 1.445 -12.692 8.104 507 HA THR 71 HA THR 71 0.885 -14.910 6.293 508 HB THR 71 HB THR 71 -1.014 -13.120 6.271 509 HG1 THR 71 1HG THR 71 0.037 -13.600 3.708 510 HG21 THR 71 1HG2 THR 71 -0.670 -11.186 4.981 511 HG22 THR 71 2HG2 THR 71 0.875 -11.768 4.363 512 HG23 THR 71 3HG2 THR 71 0.734 -11.260 6.045 513 H ARG 72 H ARG 72 2.563 -15.275 4.993 514 HA ARG 72 HA ARG 72 4.861 -13.578 5.084 515 HB2 ARG 72 1HB ARG 72 5.032 -16.034 4.927 516 HB3 ARG 72 2HB ARG 72 4.300 -15.975 3.330 517 HG2 ARG 72 1HG ARG 72 6.631 -16.207 3.016 518 HG3 ARG 72 2HG ARG 72 6.225 -14.539 2.607 519 HD2 ARG 72 1HD ARG 72 8.113 -14.267 3.908 520 HD3 ARG 72 2HD ARG 72 6.822 -14.065 5.091 521 HE ARG 72 HE ARG 72 7.505 -16.757 5.072 522 HH11 ARG 72 1HH1 ARG 72 8.993 -13.704 5.839 523 HH12 ARG 72 2HH1 ARG 72 10.056 -14.373 7.032 524 HH21 ARG 72 1HH2 ARG 72 8.899 -17.650 6.641 525 HH22 ARG 72 2HH2 ARG 72 10.003 -16.618 7.487 526 H VAL 73 H VAL 73 4.656 -11.642 4.104 527 HA VAL 73 HA VAL 73 4.044 -11.663 1.227 528 HB VAL 73 HB VAL 73 2.935 -9.808 3.316 529 HG11 VAL 73 1HG1 VAL 73 2.084 -8.752 0.942 530 HG12 VAL 73 2HG1 VAL 73 3.378 -8.093 1.944 531 HG13 VAL 73 3HG1 VAL 73 3.764 -9.155 0.590 532 HG21 VAL 73 1HG2 VAL 73 1.858 -11.992 2.177 533 HG22 VAL 73 2HG2 VAL 73 0.907 -10.610 2.721 534 HG23 VAL 73 3HG2 VAL 73 1.347 -10.763 1.020 535 H GLY 74 H GLY 74 5.497 -10.631 -0.003 536 HA2 GLY 74 1HA GLY 74 7.553 -9.036 1.388 537 HA3 GLY 74 2HA GLY 74 7.823 -9.945 -0.092 538 H VAL 75 H VAL 75 6.005 -7.201 1.231 539 HA VAL 75 HA VAL 75 5.376 -6.110 -1.333 540 HB VAL 75 HB VAL 75 5.303 -4.871 1.420 541 HG11 VAL 75 1HG1 VAL 75 5.229 -2.916 0.331 542 HG12 VAL 75 2HG1 VAL 75 4.958 -3.691 -1.231 543 HG13 VAL 75 3HG1 VAL 75 3.601 -3.404 -0.141 544 HG21 VAL 75 1HG2 VAL 75 3.311 -5.829 1.660 545 HG22 VAL 75 2HG2 VAL 75 2.771 -5.229 0.091 546 HG23 VAL 75 3HG2 VAL 75 3.644 -6.757 0.198 547 H GLN 76 H GLN 76 6.531 -4.791 -2.593 548 HA GLN 76 HA GLN 76 8.847 -3.396 -1.449 549 HB2 GLN 76 1HB GLN 76 9.584 -5.497 -2.577 550 HB3 GLN 76 2HB GLN 76 8.902 -4.885 -4.078 551 HG2 GLN 76 1HG GLN 76 11.201 -4.442 -4.192 552 HG3 GLN 76 2HG GLN 76 10.436 -2.898 -3.817 553 HE21 GLN 76 1HE2 GLN 76 12.366 -5.521 -2.575 554 HE22 GLN 76 2HE2 GLN 76 12.956 -4.689 -1.180 555 H VAL 77 H VAL 77 8.975 -1.322 -2.026 556 HA VAL 77 HA VAL 77 7.142 -0.361 -4.108 557 HB VAL 77 HB VAL 77 6.914 0.644 -1.863 558 HG11 VAL 77 1HG1 VAL 77 8.614 1.507 -0.681 559 HG12 VAL 77 2HG1 VAL 77 9.635 0.561 -1.765 560 HG13 VAL 77 3HG1 VAL 77 9.340 2.268 -2.096 561 HG21 VAL 77 1HG2 VAL 77 6.165 1.983 -3.662 562 HG22 VAL 77 2HG2 VAL 77 7.118 3.048 -2.629 563 HG23 VAL 77 3HG2 VAL 77 7.811 2.416 -4.122 564 H LEU 78 H LEU 78 8.134 -0.341 -6.036 565 HA LEU 78 HA LEU 78 10.903 0.611 -6.202 566 HB2 LEU 78 1HB LEU 78 9.912 -1.586 -7.277 567 HB3 LEU 78 2HB LEU 78 9.430 -0.470 -8.553 568 HG LEU 78 HG LEU 78 11.540 -1.614 -9.059 569 HD11 LEU 78 1HD1 LEU 78 10.982 0.802 -9.730 570 HD12 LEU 78 2HD1 LEU 78 12.648 0.252 -9.896 571 HD13 LEU 78 3HD1 LEU 78 12.186 1.262 -8.526 572 HD21 LEU 78 1HD2 LEU 78 12.804 -0.074 -6.814 573 HD22 LEU 78 2HD2 LEU 78 13.481 -1.393 -7.770 574 HD23 LEU 78 3HD2 LEU 78 12.207 -1.719 -6.593 575 H ASP 79 H ASP 79 11.422 2.494 -7.140 576 HA ASP 79 HA ASP 79 9.227 4.133 -8.185 577 HB2 ASP 79 1HB ASP 79 11.051 5.968 -7.978 578 HB3 ASP 79 2HB ASP 79 10.306 5.344 -6.509 579 H ARG 80 H ARG 80 8.993 4.249 -10.309 580 HA ARG 80 HA ARG 80 11.248 3.610 -12.050 581 HB2 ARG 80 1HB ARG 80 8.444 4.185 -12.971 582 HB3 ARG 80 2HB ARG 80 9.682 3.216 -13.760 583 HG2 ARG 80 1HG ARG 80 9.469 1.660 -11.728 584 HG3 ARG 80 2HG ARG 80 7.958 2.516 -11.417 585 HD2 ARG 80 1HD ARG 80 7.533 0.509 -12.708 586 HD3 ARG 80 2HD ARG 80 7.184 1.941 -13.675 587 HE ARG 80 HE ARG 80 8.831 1.308 -15.125 588 HH11 ARG 80 1HH1 ARG 80 9.274 -0.380 -12.112 589 HH12 ARG 80 2HH1 ARG 80 10.551 -1.386 -12.713 590 HH21 ARG 80 1HH2 ARG 80 10.511 -0.010 -15.927 591 HH22 ARG 80 2HH2 ARG 80 11.254 -1.174 -14.883 592 H LYS 81 H LYS 81 11.351 6.088 -10.672 593 HA LYS 81 HA LYS 81 11.403 8.378 -10.978 594 HB2 LYS 81 1HB LYS 81 12.857 7.114 -13.279 595 HB3 LYS 81 2HB LYS 81 12.763 8.865 -13.146 596 HG2 LYS 81 1HG LYS 81 13.747 7.175 -10.876 597 HG3 LYS 81 2HG LYS 81 14.816 7.694 -12.181 598 HD2 LYS 81 1HD LYS 81 14.461 9.989 -11.671 599 HD3 LYS 81 2HD LYS 81 13.133 9.606 -10.573 600 HE2 LYS 81 1HE LYS 81 14.674 8.527 -9.043 601 HE3 LYS 81 2HE LYS 81 16.010 8.796 -10.161 602 HZ1 LYS 81 1HZ LYS 81 16.271 10.552 -8.752 603 HZ2 LYS 81 2HZ LYS 81 14.618 10.711 -8.434 604 HZ3 LYS 81 3HZ LYS 81 15.255 11.270 -9.898 605 H ASP 82 H ASP 82 8.873 7.644 -11.589 606 HA ASP 82 HA ASP 82 8.274 9.310 -13.941 607 HB2 ASP 82 1HB ASP 82 6.610 7.853 -14.700 608 HB3 ASP 82 2HB ASP 82 7.904 6.763 -14.210 609 H GLY 83 H GLY 83 8.338 9.626 -10.885 610 HA2 GLY 83 1HA GLY 83 7.197 11.195 -9.584 611 HA3 GLY 83 2HA GLY 83 5.889 11.183 -10.758 612 H SER 84 H SER 84 5.390 8.410 -10.810 613 HA SER 84 HA SER 84 4.147 8.097 -8.169 614 HB2 SER 84 1HB SER 84 3.463 6.759 -10.798 615 HB3 SER 84 2HB SER 84 2.584 6.557 -9.282 616 HG SER 84 HG SER 84 2.976 9.137 -10.314 617 H PHE 85 H PHE 85 4.061 5.976 -7.204 618 HA PHE 85 HA PHE 85 6.419 4.352 -7.891 619 HB2 PHE 85 1HB PHE 85 5.032 4.529 -5.211 620 HB3 PHE 85 2HB PHE 85 6.544 3.701 -5.565 621 HD1 PHE 85 1HD PHE 85 7.628 5.935 -7.393 622 HD2 PHE 85 2HD PHE 85 5.911 5.935 -3.498 623 HE1 PHE 85 1HE PHE 85 8.877 7.983 -6.846 624 HE2 PHE 85 2HE PHE 85 7.157 7.983 -2.945 625 HZ PHE 85 HZ PHE 85 8.641 9.011 -4.621 626 H ILE 86 H ILE 86 6.199 2.208 -8.257 627 HA ILE 86 HA ILE 86 3.459 1.154 -8.286 628 HB ILE 86 HB ILE 86 4.495 1.030 -10.440 629 HG12 ILE 86 1HG1 ILE 86 4.550 -1.689 -9.112 630 HG13 ILE 86 2HG1 ILE 86 3.129 -0.901 -9.789 631 HG21 ILE 86 1HG2 ILE 86 6.852 0.432 -8.901 632 HG22 ILE 86 2HG2 ILE 86 6.626 -0.757 -10.182 633 HG23 ILE 86 3HG2 ILE 86 6.711 0.959 -10.578 634 HD11 ILE 86 1HD1 ILE 86 4.903 -2.635 -11.073 635 HD12 ILE 86 2HD1 ILE 86 3.577 -1.719 -11.791 636 HD13 ILE 86 3HD1 ILE 86 5.204 -1.038 -11.758 637 H VAL 87 H VAL 87 2.902 -0.101 -6.644 638 HA VAL 87 HA VAL 87 4.909 -1.380 -4.995 639 HB VAL 87 HB VAL 87 1.906 -1.549 -4.738 640 HG11 VAL 87 1HG1 VAL 87 4.051 -2.813 -3.358 641 HG12 VAL 87 2HG1 VAL 87 3.261 -1.684 -2.256 642 HG13 VAL 87 3HG1 VAL 87 2.318 -2.940 -3.059 643 HG21 VAL 87 1HG2 VAL 87 2.189 0.227 -3.010 644 HG22 VAL 87 2HG2 VAL 87 3.850 0.435 -3.565 645 HG23 VAL 87 3HG2 VAL 87 2.507 0.770 -4.658 646 H ARG 88 H ARG 88 5.485 -3.462 -5.050 647 HA ARG 88 HA ARG 88 3.788 -5.366 -6.506 648 HB2 ARG 88 1HB ARG 88 6.765 -4.990 -6.865 649 HB3 ARG 88 2HB ARG 88 5.868 -6.376 -7.473 650 HG2 ARG 88 1HG ARG 88 4.506 -4.874 -8.854 651 HG3 ARG 88 2HG ARG 88 5.447 -3.502 -8.265 652 HD2 ARG 88 1HD ARG 88 6.299 -4.149 -10.413 653 HD3 ARG 88 2HD ARG 88 7.487 -4.578 -9.183 654 HE ARG 88 HE ARG 88 5.954 -6.392 -10.838 655 HH11 ARG 88 1HH1 ARG 88 7.955 -5.993 -8.018 656 HH12 ARG 88 2HH1 ARG 88 8.411 -7.662 -7.944 657 HH21 ARG 88 1HH2 ARG 88 6.546 -8.593 -10.751 658 HH22 ARG 88 2HH2 ARG 88 7.610 -9.141 -9.500 659 H TYR 89 H TYR 89 3.593 -7.323 -5.564 660 HA TYR 89 HA TYR 89 5.472 -8.074 -3.446 661 HB2 TYR 89 1HB TYR 89 3.521 -8.788 -2.027 662 HB3 TYR 89 2HB TYR 89 3.695 -7.046 -2.213 663 HD1 TYR 89 1HD TYR 89 2.351 -6.111 -4.366 664 HD2 TYR 89 2HD TYR 89 1.382 -9.623 -2.168 665 HE1 TYR 89 1HE TYR 89 0.028 -5.959 -5.160 666 HE2 TYR 89 2HE TYR 89 -0.943 -9.481 -2.956 667 HH TYR 89 HH TYR 89 -2.491 -7.590 -3.793 668 H ARG 90 H ARG 90 5.427 -10.340 -2.907 669 HA ARG 90 HA ARG 90 4.186 -12.022 -4.982 670 HB2 ARG 90 1HB ARG 90 6.766 -11.613 -5.076 671 HB3 ARG 90 2HB ARG 90 6.812 -12.754 -3.738 672 HG2 ARG 90 1HG ARG 90 7.153 -14.106 -5.576 673 HG3 ARG 90 2HG ARG 90 5.419 -14.275 -5.292 674 HD2 ARG 90 1HD ARG 90 4.891 -12.803 -7.070 675 HD3 ARG 90 2HD ARG 90 6.564 -12.263 -7.212 676 HE ARG 90 HE ARG 90 7.009 -14.096 -8.510 677 HH11 ARG 90 1HH1 ARG 90 3.975 -14.566 -6.868 678 HH12 ARG 90 2HH1 ARG 90 3.574 -16.005 -7.746 679 HH21 ARG 90 1HH2 ARG 90 6.492 -15.989 -9.672 680 HH22 ARG 90 2HH2 ARG 90 5.007 -16.814 -9.340 681 H MET 91 H MET 91 3.158 -13.822 -4.297 682 HA MET 91 HA MET 91 3.637 -14.874 -1.634 683 HB2 MET 91 1HB MET 91 1.942 -13.069 -1.335 684 HB3 MET 91 2HB MET 91 0.879 -13.934 -2.437 685 HG2 MET 91 1HG MET 91 0.423 -15.587 -0.925 686 HG3 MET 91 2HG MET 91 1.945 -15.370 -0.064 687 HE1 MET 91 1HE MET 91 -1.119 -15.476 1.702 688 HE2 MET 91 2HE MET 91 -2.041 -14.078 1.148 689 HE3 MET 91 3HE MET 91 -1.480 -15.281 -0.014 690 H TYR 92 H TYR 92 3.843 -16.983 -1.946 691 HA TYR 92 HA TYR 92 2.505 -18.268 -4.188 692 HB2 TYR 92 1HB TYR 92 4.614 -19.203 -2.241 693 HB3 TYR 92 2HB TYR 92 3.877 -20.268 -3.433 694 HD1 TYR 92 2HD TYR 92 3.754 -18.803 -5.859 695 HD2 TYR 92 1HD TYR 92 6.766 -18.660 -2.857 696 HE1 TYR 92 2HE TYR 92 5.387 -18.057 -7.540 697 HE2 TYR 92 1HE TYR 92 8.407 -17.913 -4.529 698 HH TYR 92 HH TYR 92 7.895 -18.119 -7.826 699 H ALA 93 H ALA 93 0.672 -17.451 -2.338 700 HA ALA 93 HA ALA 93 -0.460 -19.993 -1.512 701 HB1 ALA 93 1HB ALA 93 -0.667 -19.565 0.759 702 HB2 ALA 93 2HB ALA 93 0.964 -18.997 0.397 703 HB3 ALA 93 3HB ALA 93 -0.357 -17.840 0.565 704 H SER 94 H SER 94 -2.444 -19.966 -2.318 705 HA SER 94 HA SER 94 -3.834 -18.011 -3.500 706 HB2 SER 94 1HB SER 94 -5.020 -20.124 -1.685 707 HB3 SER 94 2HB SER 94 -5.936 -19.181 -2.861 708 HG SER 94 HG SER 94 -4.166 -20.072 -4.354 709 H TYR 95 H TYR 95 -4.748 -16.127 -3.000 710 HA TYR 95 HA TYR 95 -5.311 -15.553 -0.166 711 HB2 TYR 95 1HB TYR 95 -4.752 -13.111 -0.898 712 HB3 TYR 95 2HB TYR 95 -3.441 -14.224 -0.524 713 HD1 TYR 95 1HD TYR 95 -5.217 -12.464 -3.216 714 HD2 TYR 95 2HD TYR 95 -1.951 -15.014 -2.248 715 HE1 TYR 95 1HE TYR 95 -4.249 -12.058 -5.440 716 HE2 TYR 95 2HE TYR 95 -0.973 -14.613 -4.470 717 HH TYR 95 HH TYR 95 -1.106 -12.774 -6.235 718 H LYS 96 H LYS 96 -7.439 -15.425 0.060 719 HA LYS 96 HA LYS 96 -9.170 -14.704 -2.123 720 HB2 LYS 96 1HB LYS 96 -9.571 -16.361 -0.115 721 HB3 LYS 96 2HB LYS 96 -10.126 -14.907 0.704 722 HG2 LYS 96 1HG LYS 96 -11.831 -14.556 -0.939 723 HG3 LYS 96 2HG LYS 96 -11.204 -15.871 -1.936 724 HD2 LYS 96 1HD LYS 96 -11.927 -17.510 -0.433 725 HD3 LYS 96 2HD LYS 96 -12.103 -16.350 0.887 726 HE2 LYS 96 1HE LYS 96 -14.012 -15.345 -0.206 727 HE3 LYS 96 2HE LYS 96 -13.799 -16.393 -1.607 728 HZ1 LYS 96 1HZ LYS 96 -13.966 -18.033 0.631 729 HZ2 LYS 96 2HZ LYS 96 -15.095 -17.868 -0.617 730 HZ3 LYS 96 3HZ LYS 96 -15.219 -16.905 0.767 731 H ASN 97 H ASN 97 -8.460 -13.302 1.076 732 HA ASN 97 HA ASN 97 -9.137 -10.665 -0.027 733 HB2 ASN 97 1HB ASN 97 -11.080 -11.167 1.219 734 HB3 ASN 97 2HB ASN 97 -10.154 -11.896 2.527 735 HD21 ASN 97 1HD2 ASN 97 -8.839 -10.476 3.837 736 HD22 ASN 97 2HD2 ASN 97 -9.343 -8.841 4.081 737 H LEU 98 H LEU 98 -7.892 -8.973 0.690 738 HA LEU 98 HA LEU 98 -5.921 -9.478 2.790 739 HB2 LEU 98 1HB LEU 98 -5.208 -8.435 0.053 740 HB3 LEU 98 2HB LEU 98 -4.106 -8.596 1.419 741 HG LEU 98 HG LEU 98 -5.502 -10.965 0.204 742 HD11 LEU 98 1HD1 LEU 98 -3.551 -11.366 -1.149 743 HD12 LEU 98 2HD1 LEU 98 -2.776 -9.910 -0.528 744 HD13 LEU 98 3HD1 LEU 98 -4.214 -9.779 -1.540 745 HD21 LEU 98 1HD2 LEU 98 -2.853 -10.922 1.595 746 HD22 LEU 98 2HD2 LEU 98 -3.992 -12.254 1.398 747 HD23 LEU 98 3HD2 LEU 98 -4.353 -10.944 2.523 748 H LYS 99 H LYS 99 -5.509 -7.738 4.037 749 HA LYS 99 HA LYS 99 -7.022 -5.315 3.489 750 HB2 LYS 99 1HB LYS 99 -7.073 -6.389 5.736 751 HB3 LYS 99 2HB LYS 99 -5.360 -6.029 5.912 752 HG2 LYS 99 1HG LYS 99 -5.935 -3.607 5.631 753 HG3 LYS 99 2HG LYS 99 -7.635 -4.072 5.722 754 HD2 LYS 99 1HD LYS 99 -5.548 -4.579 7.844 755 HD3 LYS 99 2HD LYS 99 -6.789 -3.324 7.896 756 HE2 LYS 99 1HE LYS 99 -8.491 -5.182 7.698 757 HE3 LYS 99 2HE LYS 99 -7.165 -6.311 7.973 758 HZ1 LYS 99 1HZ LYS 99 -8.157 -5.919 10.056 759 HZ2 LYS 99 2HZ LYS 99 -8.202 -4.244 9.824 760 HZ3 LYS 99 3HZ LYS 99 -6.721 -5.024 10.067 761 H VAL 100 H VAL 100 -6.121 -3.715 2.386 762 HA VAL 100 HA VAL 100 -3.223 -3.488 2.230 763 HB VAL 100 HB VAL 100 -5.321 -1.829 0.827 764 HG11 VAL 100 1HG1 VAL 100 -2.780 -2.118 -0.508 765 HG12 VAL 100 2HG1 VAL 100 -3.654 -0.653 -0.058 766 HG13 VAL 100 3HG1 VAL 100 -2.577 -1.430 1.103 767 HG21 VAL 100 1HG2 VAL 100 -4.370 -4.535 0.351 768 HG22 VAL 100 2HG2 VAL 100 -5.752 -3.685 -0.341 769 HG23 VAL 100 3HG2 VAL 100 -4.148 -3.481 -1.045 770 H GLU 101 H GLU 101 -2.028 -1.809 3.010 771 HA GLU 101 HA GLU 101 -3.425 0.382 4.366 772 HB2 GLU 101 1HB GLU 101 -1.405 -1.486 5.580 773 HB3 GLU 101 2HB GLU 101 -1.630 0.141 6.204 774 HG2 GLU 101 1HG GLU 101 -3.860 -0.302 6.834 775 HG3 GLU 101 2HG GLU 101 -3.893 -1.810 5.923 776 H ILE 102 H ILE 102 -2.309 2.325 4.442 777 HA ILE 102 HA ILE 102 0.392 2.451 3.363 778 HB ILE 102 HB ILE 102 -1.901 3.936 2.074 779 HG12 ILE 102 1HG1 ILE 102 -0.840 2.639 0.038 780 HG13 ILE 102 2HG1 ILE 102 -0.267 1.551 1.298 781 HG21 ILE 102 1HG2 ILE 102 -0.436 5.275 1.011 782 HG22 ILE 102 2HG2 ILE 102 0.605 4.891 2.380 783 HG23 ILE 102 3HG2 ILE 102 0.780 4.006 0.864 784 HD11 ILE 102 1HD1 ILE 102 -2.779 1.589 0.048 785 HD12 ILE 102 2HD1 ILE 102 -2.240 0.565 1.379 786 HD13 ILE 102 3HD1 ILE 102 -3.035 2.102 1.716 787 H LYS 103 H LYS 103 1.559 3.974 4.352 788 HA LYS 103 HA LYS 103 0.246 6.314 5.497 789 HB2 LYS 103 1HB LYS 103 1.721 4.224 7.071 790 HB3 LYS 103 2HB LYS 103 1.677 5.894 7.621 791 HG2 LYS 103 1HG LYS 103 -0.680 5.847 7.860 792 HG3 LYS 103 2HG LYS 103 -0.799 4.301 7.015 793 HD2 LYS 103 1HD LYS 103 0.782 4.574 9.552 794 HD3 LYS 103 2HD LYS 103 -0.962 4.304 9.583 795 HE2 LYS 103 1HE LYS 103 -0.168 2.146 9.677 796 HE3 LYS 103 2HE LYS 103 -0.398 2.354 7.942 797 HZ1 LYS 103 1HZ LYS 103 1.778 2.168 7.565 798 HZ2 LYS 103 2HZ LYS 103 1.886 1.526 9.126 799 HZ3 LYS 103 3HZ LYS 103 2.202 3.167 8.863 800 H PHE 104 H PHE 104 1.797 7.969 6.196 801 HA PHE 104 HA PHE 104 4.458 7.685 4.989 802 HB2 PHE 104 1HB PHE 104 3.537 8.918 3.279 803 HB3 PHE 104 2HB PHE 104 2.358 9.696 4.330 804 HD1 PHE 104 1HD PHE 104 6.057 9.558 3.857 805 HD2 PHE 104 2HD PHE 104 2.640 11.927 4.765 806 HE1 PHE 104 1HE PHE 104 7.479 11.564 3.958 807 HE2 PHE 104 2HE PHE 104 4.055 13.937 4.866 808 HZ PHE 104 HZ PHE 104 6.478 13.757 4.462 809 H GLN 105 H GLN 105 5.758 7.823 6.705 810 HA GLN 105 HA GLN 105 6.722 8.547 8.638 811 HB2 GLN 105 1HB GLN 105 5.801 11.083 7.330 812 HB3 GLN 105 2HB GLN 105 6.567 11.136 8.912 813 HG2 GLN 105 1HG GLN 105 7.858 9.742 6.597 814 HG3 GLN 105 2HG GLN 105 8.028 11.479 6.844 815 HE21 GLN 105 1HE2 GLN 105 10.270 11.187 7.123 816 HE22 GLN 105 2HE2 GLN 105 10.916 10.577 8.605 817 H GLY 106 H GLY 106 4.069 7.550 8.896 818 HA2 GLY 106 1HA GLY 106 2.711 7.274 10.771 819 HA3 GLY 106 2HA GLY 106 3.413 8.729 11.464 820 H GLN 107 H GLN 107 2.111 8.702 8.231 821 HA GLN 107 HA GLN 107 -0.353 9.986 9.156 822 HB2 GLN 107 1HB GLN 107 1.568 11.164 7.145 823 HB3 GLN 107 2HB GLN 107 -0.071 11.747 7.401 824 HG2 GLN 107 1HG GLN 107 0.424 12.502 9.572 825 HG3 GLN 107 2HG GLN 107 1.944 11.610 9.618 826 HE21 GLN 107 1HE2 GLN 107 3.679 12.802 9.361 827 HE22 GLN 107 2HE2 GLN 107 3.781 14.286 8.483 828 H HIS 108 H HIS 108 -1.857 8.648 8.384 829 HA HIS 108 HA HIS 108 -1.639 6.916 6.236 830 HB2 HIS 108 1HB HIS 108 -3.951 8.125 7.695 831 HB3 HIS 108 2HB HIS 108 -4.265 7.221 6.217 832 HD1 HIS 108 1HD HIS 108 -4.167 4.700 6.352 833 HD2 HIS 108 2HD HIS 108 -2.829 6.561 9.817 834 HE1 HIS 108 1HE HIS 108 -3.909 2.860 8.046 835 HE2 HIS 108 2HE HIS 108 -3.180 4.021 10.159 836 H VAL 109 H VAL 109 -1.866 7.068 4.079 837 HA VAL 109 HA VAL 109 -2.179 9.739 2.947 838 HB VAL 109 HB VAL 109 -1.352 7.142 1.642 839 HG11 VAL 109 1HG1 VAL 109 -2.517 9.096 0.293 840 HG12 VAL 109 2HG1 VAL 109 -0.897 9.792 0.374 841 HG13 VAL 109 3HG1 VAL 109 -1.143 8.209 -0.365 842 HG21 VAL 109 1HG2 VAL 109 0.878 8.204 1.556 843 HG22 VAL 109 2HG2 VAL 109 0.248 9.552 2.502 844 HG23 VAL 109 3HG2 VAL 109 0.314 7.936 3.205 845 H ALA 110 H ALA 110 -3.553 6.482 2.571 846 HA ALA 110 HA ALA 110 -5.795 7.648 1.072 847 HB1 ALA 110 1HB ALA 110 -5.499 5.894 -0.257 848 HB2 ALA 110 2HB ALA 110 -4.332 5.180 0.856 849 HB3 ALA 110 3HB ALA 110 -6.055 4.865 1.063 850 H LYS 111 H LYS 111 -7.797 5.921 1.479 851 HA LYS 111 HA LYS 111 -8.733 6.629 4.077 852 HB2 LYS 111 1HB LYS 111 -9.825 5.187 1.719 853 HB3 LYS 111 2HB LYS 111 -10.586 4.869 3.272 854 HG2 LYS 111 1HG LYS 111 -11.838 6.601 2.340 855 HG3 LYS 111 2HG LYS 111 -10.781 7.399 3.507 856 HD2 LYS 111 1HD LYS 111 -9.803 7.134 0.716 857 HD3 LYS 111 2HD LYS 111 -11.091 8.300 1.024 858 HE2 LYS 111 1HE LYS 111 -9.684 9.280 2.827 859 HE3 LYS 111 2HE LYS 111 -8.384 8.188 2.350 860 HZ1 LYS 111 1HZ LYS 111 -8.440 10.570 1.407 861 HZ2 LYS 111 2HZ LYS 111 -9.620 9.967 0.355 862 HZ3 LYS 111 3HZ LYS 111 -8.070 9.288 0.366 863 H SER 112 H SER 112 -6.528 4.418 3.312 864 HA SER 112 HA SER 112 -7.140 1.959 4.247 865 HB2 SER 112 1HB SER 112 -4.923 2.056 3.680 866 HB3 SER 112 2HB SER 112 -4.692 3.637 4.427 867 HG SER 112 HG SER 112 -3.717 2.418 5.872 868 HA PRO 113 HA PRO 113 -6.059 0.359 5.619 869 HB2 PRO 113 1HB PRO 113 -7.556 -1.501 6.912 870 HB3 PRO 113 2HB PRO 113 -6.073 -0.819 7.591 871 HG2 PRO 113 1HG PRO 113 -8.922 -0.096 8.156 872 HG3 PRO 113 2HG PRO 113 -7.574 -0.298 9.289 873 HD2 PRO 113 1HD PRO 113 -8.424 2.134 8.456 874 HD3 PRO 113 2HD PRO 113 -6.726 1.800 8.851 875 H TYR 114 H TYR 114 -6.888 -0.980 4.005 876 HA TYR 114 HA TYR 114 -9.590 -0.269 3.106 877 HB2 TYR 114 1HB TYR 114 -7.110 -1.186 1.695 878 HB3 TYR 114 2HB TYR 114 -8.682 -1.441 0.946 879 HD1 TYR 114 1HD TYR 114 -10.232 0.785 1.081 880 HD2 TYR 114 2HD TYR 114 -5.978 0.706 1.042 881 HE1 TYR 114 1HE TYR 114 -10.204 3.091 0.227 882 HE2 TYR 114 2HE TYR 114 -5.938 3.012 0.189 883 HH TYR 114 HH TYR 114 -8.902 4.893 -0.167 884 H ILE 115 H ILE 115 -11.184 -1.714 3.124 885 HA ILE 115 HA ILE 115 -10.488 -4.542 3.579 886 HB ILE 115 HB ILE 115 -13.140 -3.358 4.337 887 HG12 ILE 115 1HG1 ILE 115 -11.345 -2.019 5.422 888 HG13 ILE 115 2HG1 ILE 115 -12.319 -2.924 6.575 889 HG21 ILE 115 1HG2 ILE 115 -11.631 -5.637 5.588 890 HG22 ILE 115 2HG2 ILE 115 -13.344 -5.246 5.738 891 HG23 ILE 115 3HG2 ILE 115 -12.709 -5.849 4.208 892 HD11 ILE 115 1HD1 ILE 115 -10.552 -4.034 7.327 893 HD12 ILE 115 2HD1 ILE 115 -9.996 -4.413 5.697 894 HD13 ILE 115 3HD1 ILE 115 -9.572 -2.869 6.436 895 H LEU 116 H LEU 116 -10.631 -5.500 1.637 896 HA LEU 116 HA LEU 116 -13.155 -5.183 0.156 897 HB2 LEU 116 1HB LEU 116 -10.399 -5.511 -1.020 898 HB3 LEU 116 2HB LEU 116 -11.905 -5.479 -1.935 899 HG LEU 116 HG LEU 116 -12.157 -3.113 -0.805 900 HD11 LEU 116 1HD1 LEU 116 -10.213 -2.022 -0.204 901 HD12 LEU 116 2HD1 LEU 116 -9.178 -3.185 -1.031 902 HD13 LEU 116 3HD1 LEU 116 -9.966 -3.628 0.483 903 HD21 LEU 116 1HD2 LEU 116 -10.140 -2.951 -2.912 904 HD22 LEU 116 2HD2 LEU 116 -11.795 -2.345 -2.875 905 HD23 LEU 116 3HD2 LEU 116 -11.482 -4.030 -3.292 906 H LYS 117 H LYS 117 -14.220 -7.029 0.469 907 HA LYS 117 HA LYS 117 -12.744 -9.555 0.109 908 HB2 LYS 117 1HB LYS 117 -14.236 -10.612 1.711 909 HB3 LYS 117 2HB LYS 117 -13.437 -9.231 2.452 910 HG2 LYS 117 1HG LYS 117 -16.103 -8.806 1.216 911 HG3 LYS 117 2HG LYS 117 -16.017 -9.670 2.753 912 HD2 LYS 117 1HD LYS 117 -14.546 -7.714 3.537 913 HD3 LYS 117 2HD LYS 117 -15.164 -6.861 2.120 914 HE2 LYS 117 1HE LYS 117 -17.471 -7.323 2.931 915 HE3 LYS 117 2HE LYS 117 -16.774 -8.012 4.396 916 HZ1 LYS 117 1HZ LYS 117 -16.321 -5.997 5.221 917 HZ2 LYS 117 2HZ LYS 117 -17.465 -5.438 4.108 918 HZ3 LYS 117 3HZ LYS 117 -15.817 -5.368 3.734 919 H GLY 118 H GLY 118 -15.069 -7.537 -1.137 920 HA2 GLY 118 1HA GLY 118 -16.346 -7.863 -3.052 921 HA3 GLY 118 2HA GLY 118 -15.971 -9.579 -2.977 922 H SER 119 H SER 119 -16.976 -10.605 -0.856 923 HA SER 119 HA SER 119 -18.866 -11.286 0.213 924 HB2 SER 119 1HB SER 119 -18.791 -8.855 0.999 925 HB3 SER 119 2HB SER 119 -20.001 -8.526 -0.241 926 HG SER 119 HG SER 119 -20.360 -9.537 2.197 927 H GLY 120 H GLY 120 -18.719 -12.029 -2.375 928 HA2 GLY 120 1HA GLY 120 -21.064 -11.279 -3.860 929 HA3 GLY 120 2HA GLY 120 -19.927 -12.553 -4.276 930 HA PRO 121 HA PRO 121 -23.855 -14.642 -3.111 931 HB2 PRO 121 1HB PRO 121 -23.648 -16.563 -5.018 932 HB3 PRO 121 2HB PRO 121 -24.355 -14.973 -5.329 933 HG2 PRO 121 1HG PRO 121 -21.600 -15.972 -5.937 934 HG3 PRO 121 2HG PRO 121 -22.684 -14.996 -6.945 935 HD2 PRO 121 1HD PRO 121 -20.635 -13.917 -5.541 936 HD3 PRO 121 2HD PRO 121 -22.148 -13.041 -5.848 937 H SER 122 H SER 122 -24.180 -17.046 -2.672 938 HA SER 122 HA SER 122 -21.683 -18.255 -1.682 939 HB2 SER 122 1HB SER 122 -24.367 -18.349 -0.286 940 HB3 SER 122 2HB SER 122 -22.851 -19.030 0.304 941 HG SER 122 HG SER 122 -23.562 -16.311 0.004 942 H SER 123 H SER 123 -21.337 -20.302 -2.270 943 HA SER 123 HA SER 123 -23.548 -21.744 -3.575 944 HB2 SER 123 1HB SER 123 -21.771 -23.000 -4.781 945 HB3 SER 123 2HB SER 123 -21.719 -21.268 -5.107 946 HG SER 123 HG SER 123 -19.641 -22.068 -4.672 947 H GLY 124 H GLY 124 -22.996 -24.246 -3.571 948 HA2 GLY 124 1HA GLY 124 -22.250 -26.119 -2.303 949 HA3 GLY 124 2HA GLY 124 -22.027 -25.056 -0.921 Start of MODEL 9 1 H1 GLY 1 H GLY 1 11.735 9.132 16.808 2 HA2 GLY 1 1HA GLY 1 10.856 8.348 14.452 3 HA3 GLY 1 2HA GLY 1 9.433 7.983 15.416 4 H SER 2 H SER 2 11.659 10.623 14.596 5 HA SER 2 HA SER 2 9.358 12.445 14.597 6 HB2 SER 2 1HB SER 2 10.810 12.601 16.724 7 HB3 SER 2 2HB SER 2 12.030 13.325 15.676 8 HG SER 2 HG SER 2 9.561 14.327 16.501 9 H SER 3 H SER 3 9.588 14.289 13.237 10 HA SER 3 HA SER 3 11.291 13.762 10.942 11 HB2 SER 3 1HB SER 3 8.985 14.310 10.467 12 HB3 SER 3 2HB SER 3 9.098 15.795 11.412 13 HG SER 3 HG SER 3 9.304 16.122 9.126 14 H GLY 4 H GLY 4 12.951 15.030 10.243 15 HA2 GLY 4 1HA GLY 4 13.504 17.546 11.628 16 HA3 GLY 4 2HA GLY 4 14.710 16.274 11.764 17 H SER 5 H SER 5 12.736 17.068 8.941 18 HA SER 5 HA SER 5 15.061 17.112 7.263 19 HB2 SER 5 1HB SER 5 12.197 17.846 6.609 20 HB3 SER 5 2HB SER 5 13.482 17.546 5.439 21 HG SER 5 HG SER 5 11.998 15.743 5.950 22 H SER 6 H SER 6 16.213 18.807 6.575 23 HA SER 6 HA SER 6 15.604 21.421 7.665 24 HB2 SER 6 1HB SER 6 17.949 20.390 6.056 25 HB3 SER 6 2HB SER 6 17.814 22.046 6.647 26 HG SER 6 HG SER 6 17.779 19.717 8.271 27 H GLY 7 H GLY 7 16.158 20.026 4.434 28 HA2 GLY 7 1HA GLY 7 14.827 20.566 2.541 29 HA3 GLY 7 2HA GLY 7 14.361 22.065 3.331 30 H GLU 8 H GLU 8 14.937 22.642 0.954 31 HA GLU 8 HA GLU 8 17.791 23.370 0.852 32 HB2 GLU 8 1HB GLU 8 15.858 22.843 -1.410 33 HB3 GLU 8 2HB GLU 8 17.479 23.487 -1.628 34 HG2 GLU 8 1HG GLU 8 18.493 21.496 -1.014 35 HG3 GLU 8 2HG GLU 8 17.052 20.902 -0.192 36 H THR 9 H THR 9 18.154 25.361 -0.583 37 HA THR 9 HA THR 9 17.198 27.619 0.603 38 HB THR 9 HB THR 9 18.173 27.199 -2.214 39 HG1 THR 9 1HG THR 9 19.467 27.231 -0.068 40 HG21 THR 9 1HG2 THR 9 16.619 29.112 -2.224 41 HG22 THR 9 2HG2 THR 9 18.288 29.615 -2.488 42 HG23 THR 9 3HG2 THR 9 17.535 29.848 -0.910 43 H GLY 10 H GLY 10 15.463 28.957 0.430 44 HA2 GLY 10 1HA GLY 10 13.464 29.816 -0.379 45 HA3 GLY 10 2HA GLY 10 13.583 28.719 -1.747 46 H GLY 11 H GLY 11 11.145 28.892 -0.945 47 HA2 GLY 11 1HA GLY 11 10.689 26.698 0.977 48 HA3 GLY 11 2HA GLY 11 9.551 28.001 0.665 49 H GLU 12 H GLU 12 10.604 24.875 -0.237 50 HA GLU 12 HA GLU 12 9.455 24.726 -2.819 51 HB2 GLU 12 1HB GLU 12 10.122 22.596 -0.787 52 HB3 GLU 12 2HB GLU 12 9.524 22.235 -2.400 53 HG2 GLU 12 1HG GLU 12 11.468 22.871 -3.419 54 HG3 GLU 12 2HG GLU 12 11.908 23.988 -2.130 55 H ARG 13 H ARG 13 7.666 22.998 -3.222 56 HA ARG 13 HA ARG 13 5.249 24.029 -2.271 57 HB2 ARG 13 1HB ARG 13 5.858 21.361 -3.552 58 HB3 ARG 13 2HB ARG 13 4.232 21.971 -3.273 59 HG2 ARG 13 1HG ARG 13 4.430 23.619 -4.879 60 HG3 ARG 13 2HG ARG 13 6.194 23.601 -4.825 61 HD2 ARG 13 1HD ARG 13 4.763 21.141 -5.701 62 HD3 ARG 13 2HD ARG 13 4.869 22.499 -6.820 63 HE ARG 13 HE ARG 13 7.392 21.773 -5.657 64 HH11 ARG 13 1HH1 ARG 13 5.132 21.112 -8.221 65 HH12 ARG 13 2HH1 ARG 13 6.329 20.447 -9.282 66 HH21 ARG 13 1HH2 ARG 13 8.978 20.900 -7.044 67 HH22 ARG 13 2HH2 ARG 13 8.516 20.326 -8.611 68 H GLN 14 H GLN 14 3.540 22.278 -1.390 69 HA GLN 14 HA GLN 14 4.729 21.116 1.043 70 HB2 GLN 14 1HB GLN 14 2.400 21.593 2.045 71 HB3 GLN 14 2HB GLN 14 3.519 22.937 1.858 72 HG2 GLN 14 1HG GLN 14 2.346 23.359 -0.374 73 HG3 GLN 14 2HG GLN 14 1.090 22.282 0.235 74 HE21 GLN 14 1HE2 GLN 14 1.535 23.160 3.000 75 HE22 GLN 14 2HE2 GLN 14 0.796 24.716 3.122 76 H LEU 15 H LEU 15 4.836 19.007 0.413 77 HA LEU 15 HA LEU 15 2.844 17.663 -1.073 78 HB2 LEU 15 1HB LEU 15 4.817 16.545 -1.209 79 HB3 LEU 15 2HB LEU 15 5.259 16.901 0.459 80 HG LEU 15 HG LEU 15 3.809 15.133 1.257 81 HD11 LEU 15 1HD1 LEU 15 2.111 14.335 0.078 82 HD12 LEU 15 2HD1 LEU 15 3.192 13.833 -1.222 83 HD13 LEU 15 3HD1 LEU 15 2.523 15.465 -1.213 84 HD21 LEU 15 1HD2 LEU 15 5.106 13.303 0.589 85 HD22 LEU 15 2HD2 LEU 15 6.170 14.694 0.383 86 HD23 LEU 15 3HD2 LEU 15 5.382 13.970 -1.020 87 H SER 16 H SER 16 0.980 16.760 -0.480 88 HA SER 16 HA SER 16 0.466 16.389 2.398 89 HB2 SER 16 1HB SER 16 -0.784 18.318 1.435 90 HB3 SER 16 2HB SER 16 -1.564 17.210 0.307 91 HG SER 16 HG SER 16 -1.669 16.660 3.054 92 HA PRO 17 HA PRO 17 -0.188 12.172 1.170 93 HB2 PRO 17 1HB PRO 17 -1.019 11.279 3.595 94 HB3 PRO 17 2HB PRO 17 0.677 11.611 3.223 95 HG2 PRO 17 1HG PRO 17 -1.312 13.314 4.673 96 HG3 PRO 17 2HG PRO 17 0.388 12.998 5.067 97 HD2 PRO 17 1HD PRO 17 -0.426 15.271 3.841 98 HD3 PRO 17 2HD PRO 17 1.159 14.534 3.532 99 H GLU 18 H GLU 18 -2.614 13.652 3.335 100 HA GLU 18 HA GLU 18 -4.761 12.027 2.724 101 HB2 GLU 18 1HB GLU 18 -6.197 13.910 3.429 102 HB3 GLU 18 2HB GLU 18 -4.853 13.642 4.530 103 HG2 GLU 18 1HG GLU 18 -3.636 15.480 3.329 104 HG3 GLU 18 2HG GLU 18 -5.145 15.822 2.484 105 H LYS 19 H LYS 19 -3.559 14.856 0.995 106 HA LYS 19 HA LYS 19 -5.706 15.001 -0.863 107 HB2 LYS 19 1HB LYS 19 -2.896 16.097 -0.898 108 HB3 LYS 19 2HB LYS 19 -4.047 16.393 -2.194 109 HG2 LYS 19 1HG LYS 19 -4.910 17.008 0.574 110 HG3 LYS 19 2HG LYS 19 -3.722 18.076 -0.178 111 HD2 LYS 19 1HD LYS 19 -6.142 18.734 -0.478 112 HD3 LYS 19 2HD LYS 19 -5.191 18.606 -1.960 113 HE2 LYS 19 1HE LYS 19 -6.098 16.334 -2.302 114 HE3 LYS 19 2HE LYS 19 -7.097 16.539 -0.863 115 HZ1 LYS 19 1HZ LYS 19 -7.704 17.287 -3.463 116 HZ2 LYS 19 2HZ LYS 19 -7.474 18.726 -2.604 117 HZ3 LYS 19 3HZ LYS 19 -8.608 17.592 -2.066 118 H SER 20 H SER 20 -2.634 13.307 -0.798 119 HA SER 20 HA SER 20 -2.266 12.590 -3.410 120 HB2 SER 20 1HB SER 20 -1.964 10.484 -1.297 121 HB3 SER 20 2HB SER 20 -0.899 10.869 -2.649 122 HG SER 20 HG SER 20 -0.660 12.974 -1.411 123 H GLU 21 H GLU 21 -3.123 11.163 -4.842 124 HA GLU 21 HA GLU 21 -5.612 9.830 -4.018 125 HB2 GLU 21 1HB GLU 21 -4.740 10.515 -6.827 126 HB3 GLU 21 2HB GLU 21 -6.324 9.950 -6.316 127 HG2 GLU 21 1HG GLU 21 -6.440 12.067 -4.904 128 HG3 GLU 21 2HG GLU 21 -5.057 12.624 -5.845 129 H ILE 22 H ILE 22 -5.454 7.718 -3.710 130 HA ILE 22 HA ILE 22 -3.361 6.219 -5.119 131 HB ILE 22 HB ILE 22 -4.988 5.496 -2.681 132 HG12 ILE 22 1HG1 ILE 22 -2.081 6.221 -3.083 133 HG13 ILE 22 2HG1 ILE 22 -3.286 7.125 -2.171 134 HG21 ILE 22 1HG2 ILE 22 -2.740 3.783 -3.127 135 HG22 ILE 22 2HG2 ILE 22 -4.445 3.364 -2.968 136 HG23 ILE 22 3HG2 ILE 22 -3.782 3.776 -4.549 137 HD11 ILE 22 1HD1 ILE 22 -3.299 4.632 -0.988 138 HD12 ILE 22 2HD1 ILE 22 -1.597 4.932 -1.344 139 HD13 ILE 22 3HD1 ILE 22 -2.512 6.087 -0.375 140 H TRP 23 H TRP 23 -4.111 5.507 -7.024 141 HA TRP 23 HA TRP 23 -6.719 4.132 -7.041 142 HB2 TRP 23 1HB TRP 23 -7.119 4.861 -9.238 143 HB3 TRP 23 2HB TRP 23 -6.434 6.275 -8.441 144 HD1 TRP 23 HD TRP 23 -5.605 3.630 -11.080 145 HE1 TRP 23 1HE TRP 23 -3.578 4.439 -12.445 146 HE3 TRP 23 3HE TRP 23 -4.360 7.751 -8.322 147 HZ2 TRP 23 2HZ TRP 23 -1.700 6.545 -12.364 148 HZ3 TRP 23 3HZ TRP 23 -2.435 9.109 -9.033 149 HH2 TRP 23 HH TRP 23 -1.134 8.516 -11.012 150 H GLY 24 H GLY 24 -6.908 2.277 -8.449 151 HA2 GLY 24 1HA GLY 24 -5.146 1.001 -10.006 152 HA3 GLY 24 2HA GLY 24 -4.476 0.686 -8.412 153 HA PRO 25 HA PRO 25 -8.174 -2.155 -9.613 154 HB2 PRO 25 1HB PRO 25 -6.886 -4.185 -10.875 155 HB3 PRO 25 2HB PRO 25 -7.571 -2.801 -11.734 156 HG2 PRO 25 1HG PRO 25 -4.737 -3.308 -10.915 157 HG3 PRO 25 2HG PRO 25 -5.362 -2.667 -12.446 158 HD2 PRO 25 1HD PRO 25 -4.325 -1.076 -10.516 159 HD3 PRO 25 2HD PRO 25 -5.633 -0.544 -11.591 160 H GLY 26 H GLY 26 -5.347 -2.111 -7.886 161 HA2 GLY 26 1HA GLY 26 -5.168 -4.765 -6.916 162 HA3 GLY 26 2HA GLY 26 -4.512 -3.336 -6.131 163 H LEU 27 H LEU 27 -7.620 -2.556 -6.506 164 HA LEU 27 HA LEU 27 -8.384 -3.726 -3.912 165 HB2 LEU 27 1HB LEU 27 -9.611 -1.216 -4.954 166 HB3 LEU 27 2HB LEU 27 -9.408 -1.757 -3.289 167 HG LEU 27 HG LEU 27 -7.098 -0.872 -5.004 168 HD11 LEU 27 1HD1 LEU 27 -8.713 0.959 -4.838 169 HD12 LEU 27 2HD1 LEU 27 -7.249 1.295 -3.914 170 HD13 LEU 27 3HD1 LEU 27 -8.720 0.791 -3.082 171 HD21 LEU 27 1HD2 LEU 27 -6.145 -0.441 -2.694 172 HD22 LEU 27 2HD2 LEU 27 -6.347 -2.131 -3.158 173 HD23 LEU 27 3HD2 LEU 27 -7.507 -1.370 -2.067 174 H LYS 28 H LYS 28 -9.454 -2.874 -7.147 175 HA LYS 28 HA LYS 28 -12.138 -3.335 -7.079 176 HB2 LYS 28 1HB LYS 28 -10.114 -4.110 -9.175 177 HB3 LYS 28 2HB LYS 28 -11.845 -4.299 -9.422 178 HG2 LYS 28 1HG LYS 28 -11.963 -1.790 -8.799 179 HG3 LYS 28 2HG LYS 28 -10.236 -1.795 -9.167 180 HD2 LYS 28 1HD LYS 28 -10.673 -2.596 -11.404 181 HD3 LYS 28 2HD LYS 28 -12.394 -2.755 -11.046 182 HE2 LYS 28 1HE LYS 28 -12.355 -0.734 -12.140 183 HE3 LYS 28 2HE LYS 28 -12.202 -0.212 -10.462 184 HZ1 LYS 28 1HZ LYS 28 -10.473 0.933 -11.296 185 HZ2 LYS 28 2HZ LYS 28 -10.267 -0.094 -12.624 186 HZ3 LYS 28 3HZ LYS 28 -9.646 -0.531 -11.112 187 H ALA 29 H ALA 29 -13.468 -5.183 -7.551 188 HA ALA 29 HA ALA 29 -12.603 -7.530 -6.111 189 HB1 ALA 29 1HB ALA 29 -14.987 -8.294 -6.855 190 HB2 ALA 29 2HB ALA 29 -14.798 -7.054 -5.615 191 HB3 ALA 29 3HB ALA 29 -15.186 -6.592 -7.272 192 H ASP 30 H ASP 30 -13.667 -9.660 -7.261 193 HA ASP 30 HA ASP 30 -12.967 -11.313 -8.700 194 HB2 ASP 30 1HB ASP 30 -14.263 -9.174 -10.340 195 HB3 ASP 30 2HB ASP 30 -13.564 -10.569 -11.157 196 H VAL 31 H VAL 31 -10.787 -9.729 -7.902 197 HA VAL 31 HA VAL 31 -9.188 -8.678 -9.903 198 HB VAL 31 HB VAL 31 -7.244 -9.504 -8.416 199 HG11 VAL 31 1HG1 VAL 31 -9.046 -7.352 -8.232 200 HG12 VAL 31 2HG1 VAL 31 -8.744 -7.899 -6.581 201 HG13 VAL 31 3HG1 VAL 31 -7.395 -7.438 -7.620 202 HG21 VAL 31 1HG2 VAL 31 -9.520 -10.065 -6.524 203 HG22 VAL 31 2HG2 VAL 31 -8.624 -11.321 -7.379 204 HG23 VAL 31 3HG2 VAL 31 -7.795 -10.276 -6.225 205 H VAL 32 H VAL 32 -6.886 -9.864 -10.278 206 HA VAL 32 HA VAL 32 -7.465 -11.966 -12.113 207 HB VAL 32 HB VAL 32 -5.048 -12.054 -12.504 208 HG11 VAL 32 1HG1 VAL 32 -5.851 -10.420 -13.860 209 HG12 VAL 32 2HG1 VAL 32 -6.554 -9.504 -12.525 210 HG13 VAL 32 3HG1 VAL 32 -4.821 -9.417 -12.839 211 HG21 VAL 32 1HG2 VAL 32 -3.651 -10.316 -11.256 212 HG22 VAL 32 2HG2 VAL 32 -4.958 -10.292 -10.073 213 HG23 VAL 32 3HG2 VAL 32 -4.079 -11.788 -10.384 214 H LEU 33 H LEU 33 -6.067 -14.005 -12.097 215 HA LEU 33 HA LEU 33 -6.818 -15.661 -10.020 216 HB2 LEU 33 1HB LEU 33 -4.860 -15.806 -12.222 217 HB3 LEU 33 2HB LEU 33 -4.611 -16.935 -10.892 218 HG LEU 33 HG LEU 33 -7.139 -17.498 -11.298 219 HD11 LEU 33 1HD1 LEU 33 -7.890 -16.059 -12.907 220 HD12 LEU 33 2HD1 LEU 33 -7.372 -17.408 -13.918 221 HD13 LEU 33 3HD1 LEU 33 -6.334 -15.994 -13.736 222 HD21 LEU 33 1HD2 LEU 33 -6.147 -18.955 -13.349 223 HD22 LEU 33 2HD2 LEU 33 -5.885 -19.333 -11.647 224 HD23 LEU 33 3HD2 LEU 33 -4.656 -18.450 -12.555 225 HA PRO 34 HA PRO 34 -2.430 -15.222 -8.055 226 HB2 PRO 34 1HB PRO 34 -0.799 -13.294 -9.053 227 HB3 PRO 34 2HB PRO 34 -0.833 -14.945 -9.684 228 HG2 PRO 34 1HG PRO 34 -2.159 -12.481 -10.749 229 HG3 PRO 34 2HG PRO 34 -1.297 -13.757 -11.629 230 HD2 PRO 34 1HD PRO 34 -4.000 -13.648 -11.498 231 HD3 PRO 34 2HD PRO 34 -3.109 -15.181 -11.592 232 H ALA 35 H ALA 35 -2.035 -11.916 -9.023 233 HA ALA 35 HA ALA 35 -3.742 -10.853 -6.944 234 HB1 ALA 35 1HB ALA 35 -0.899 -11.281 -6.503 235 HB2 ALA 35 2HB ALA 35 -1.385 -9.603 -6.260 236 HB3 ALA 35 3HB ALA 35 -2.179 -10.891 -5.353 237 H ARG 36 H ARG 36 -3.547 -8.422 -6.840 238 HA ARG 36 HA ARG 36 -2.832 -7.345 -9.489 239 HB2 ARG 36 1HB ARG 36 -5.295 -7.019 -7.847 240 HB3 ARG 36 2HB ARG 36 -4.739 -5.630 -8.771 241 HG2 ARG 36 1HG ARG 36 -4.988 -8.262 -10.139 242 HG3 ARG 36 2HG ARG 36 -6.445 -7.331 -9.789 243 HD2 ARG 36 1HD ARG 36 -5.227 -5.366 -10.886 244 HD3 ARG 36 2HD ARG 36 -4.098 -6.572 -11.501 245 HE ARG 36 HE ARG 36 -6.856 -7.174 -12.051 246 HH11 ARG 36 1HH1 ARG 36 -4.017 -5.481 -13.143 247 HH12 ARG 36 2HH1 ARG 36 -4.511 -5.456 -14.804 248 HH21 ARG 36 1HH2 ARG 36 -7.518 -7.147 -14.234 249 HH22 ARG 36 2HH2 ARG 36 -6.503 -6.403 -15.423 250 H TYR 37 H TYR 37 -2.244 -5.083 -9.536 251 HA TYR 37 HA TYR 37 -1.131 -4.152 -6.970 252 HB2 TYR 37 1HB TYR 37 0.778 -3.311 -8.083 253 HB3 TYR 37 2HB TYR 37 0.521 -4.915 -8.761 254 HD1 TYR 37 2HD TYR 37 -0.371 -5.165 -11.047 255 HD2 TYR 37 1HD TYR 37 0.563 -1.341 -9.433 256 HE1 TYR 37 2HE TYR 37 -0.406 -4.207 -13.312 257 HE2 TYR 37 1HE TYR 37 0.529 -0.372 -11.693 258 HH TYR 37 HH TYR 37 0.907 -1.339 -14.116 259 H PHE 38 H PHE 38 -0.445 -1.657 -7.409 260 HA PHE 38 HA PHE 38 -2.523 -0.215 -8.825 261 HB2 PHE 38 1HB PHE 38 -3.128 1.107 -6.774 262 HB3 PHE 38 2HB PHE 38 -3.672 -0.567 -6.750 263 HD1 PHE 38 1HD PHE 38 -2.521 -2.221 -5.329 264 HD2 PHE 38 2HD PHE 38 -1.561 1.923 -5.190 265 HE1 PHE 38 1HE PHE 38 -1.392 -2.558 -3.169 266 HE2 PHE 38 2HE PHE 38 -0.430 1.592 -3.031 267 HZ PHE 38 HZ PHE 38 -0.344 -0.650 -2.017 268 H TYR 39 H TYR 39 -2.205 2.280 -8.119 269 HA TYR 39 HA TYR 39 0.694 2.787 -8.279 270 HB2 TYR 39 1HB TYR 39 -1.581 4.245 -9.633 271 HB3 TYR 39 2HB TYR 39 0.077 4.833 -9.599 272 HD1 TYR 39 2HD TYR 39 1.840 2.905 -10.347 273 HD2 TYR 39 1HD TYR 39 -2.230 3.170 -11.560 274 HE1 TYR 39 2HE TYR 39 2.356 1.575 -12.351 275 HE2 TYR 39 1HE TYR 39 -1.725 1.841 -13.566 276 HH TYR 39 HH TYR 39 1.445 1.203 -14.599 277 H ILE 40 H ILE 40 1.475 4.719 -7.306 278 HA ILE 40 HA ILE 40 -0.347 5.940 -5.344 279 HB ILE 40 HB ILE 40 2.511 5.112 -4.829 280 HG12 ILE 40 1HG1 ILE 40 -0.026 4.144 -3.501 281 HG13 ILE 40 2HG1 ILE 40 0.770 3.290 -4.818 282 HG21 ILE 40 1HG2 ILE 40 1.352 5.822 -2.425 283 HG22 ILE 40 2HG2 ILE 40 2.512 6.777 -3.348 284 HG23 ILE 40 3HG2 ILE 40 0.782 7.058 -3.547 285 HD11 ILE 40 1HD1 ILE 40 1.276 3.107 -2.056 286 HD12 ILE 40 2HD1 ILE 40 2.109 2.289 -3.378 287 HD13 ILE 40 3HD1 ILE 40 2.693 3.849 -2.799 288 H GLN 41 H GLN 41 -0.603 7.935 -6.161 289 HA GLN 41 HA GLN 41 1.763 9.388 -7.110 290 HB2 GLN 41 1HB GLN 41 0.047 9.418 -8.745 291 HB3 GLN 41 2HB GLN 41 -1.189 9.790 -7.550 292 HG2 GLN 41 1HG GLN 41 -0.866 11.794 -8.676 293 HG3 GLN 41 2HG GLN 41 0.069 11.981 -7.193 294 HE21 GLN 41 1HE2 GLN 41 1.208 13.645 -8.349 295 HE22 GLN 41 2HE2 GLN 41 2.491 13.219 -9.424 296 H ALA 42 H ALA 42 2.271 11.446 -6.334 297 HA ALA 42 HA ALA 42 1.281 11.972 -3.631 298 HB1 ALA 42 1HB ALA 42 3.809 11.857 -4.499 299 HB2 ALA 42 2HB ALA 42 3.502 13.578 -4.736 300 HB3 ALA 42 3HB ALA 42 3.304 12.859 -3.138 301 H VAL 43 H VAL 43 0.261 13.830 -3.046 302 HA VAL 43 HA VAL 43 -0.138 15.889 -5.108 303 HB VAL 43 HB VAL 43 -2.310 14.760 -3.336 304 HG11 VAL 43 1HG1 VAL 43 -3.788 16.256 -4.680 305 HG12 VAL 43 2HG1 VAL 43 -2.664 17.110 -3.621 306 HG13 VAL 43 3HG1 VAL 43 -2.337 17.001 -5.352 307 HG21 VAL 43 1HG2 VAL 43 -3.183 13.666 -5.167 308 HG22 VAL 43 2HG2 VAL 43 -2.360 14.714 -6.322 309 HG23 VAL 43 3HG2 VAL 43 -1.451 13.483 -5.446 310 H ASP 44 H ASP 44 0.201 17.898 -4.405 311 HA ASP 44 HA ASP 44 1.046 18.379 -1.730 312 HB2 ASP 44 1HB ASP 44 1.100 20.788 -2.485 313 HB3 ASP 44 2HB ASP 44 2.059 19.677 -3.459 314 H THR 45 H THR 45 0.065 20.680 -0.852 315 HA THR 45 HA THR 45 -2.532 19.956 0.111 316 HB THR 45 HB THR 45 -2.413 21.865 1.522 317 HG1 THR 45 1HG THR 45 -1.718 23.623 0.563 318 HG21 THR 45 1HG2 THR 45 0.156 20.410 1.096 319 HG22 THR 45 2HG2 THR 45 -0.942 20.377 2.476 320 HG23 THR 45 3HG2 THR 45 0.123 21.760 2.229 321 H SER 46 H SER 46 -1.730 21.090 -2.785 322 HA SER 46 HA SER 46 -3.956 22.999 -2.980 323 HB2 SER 46 1HB SER 46 -1.697 23.724 -3.792 324 HB3 SER 46 2HB SER 46 -1.785 22.459 -5.019 325 HG SER 46 HG SER 46 -2.911 23.795 -6.165 326 H GLY 47 H GLY 47 -2.906 19.849 -3.903 327 HA2 GLY 47 1HA GLY 47 -4.448 18.185 -4.619 328 HA3 GLY 47 2HA GLY 47 -5.454 19.452 -5.305 329 H ASN 48 H ASN 48 -2.041 19.524 -5.874 330 HA ASN 48 HA ASN 48 -2.543 18.774 -8.675 331 HB2 ASN 48 1HB ASN 48 -0.552 20.646 -7.408 332 HB3 ASN 48 2HB ASN 48 -0.328 20.034 -9.045 333 HD21 ASN 48 1HD2 ASN 48 -3.008 21.336 -7.111 334 HD22 ASN 48 2HD2 ASN 48 -3.555 22.450 -8.313 335 H LYS 49 H LYS 49 -0.827 17.633 -9.807 336 HA LYS 49 HA LYS 49 0.270 15.520 -8.162 337 HB2 LYS 49 1HB LYS 49 0.185 16.002 -11.137 338 HB3 LYS 49 2HB LYS 49 1.065 14.654 -10.429 339 HG2 LYS 49 1HG LYS 49 -0.868 13.596 -9.716 340 HG3 LYS 49 2HG LYS 49 -1.822 15.080 -9.781 341 HD2 LYS 49 1HD LYS 49 -2.549 13.869 -11.639 342 HD3 LYS 49 2HD LYS 49 -1.382 15.008 -12.313 343 HE2 LYS 49 1HE LYS 49 -0.843 12.961 -13.310 344 HE3 LYS 49 2HE LYS 49 0.339 13.142 -12.015 345 HZ1 LYS 49 1HZ LYS 49 -0.922 11.652 -10.648 346 HZ2 LYS 49 2HZ LYS 49 -0.634 10.901 -12.135 347 HZ3 LYS 49 3HZ LYS 49 -2.159 11.552 -11.798 348 H PHE 50 H PHE 50 2.287 15.413 -7.428 349 HA PHE 50 HA PHE 50 4.113 17.528 -7.718 350 HB2 PHE 50 1HB PHE 50 4.174 14.814 -6.508 351 HB3 PHE 50 2HB PHE 50 5.727 15.572 -6.845 352 HD1 PHE 50 1HD PHE 50 2.500 16.098 -5.095 353 HD2 PHE 50 2HD PHE 50 6.607 17.175 -5.400 354 HE1 PHE 50 1HE PHE 50 2.311 17.395 -3.013 355 HE2 PHE 50 2HE PHE 50 6.425 18.473 -3.318 356 HZ PHE 50 HZ PHE 50 4.275 18.584 -2.121 357 H THR 51 H THR 51 3.917 14.367 -9.288 358 HA THR 51 HA THR 51 5.046 13.454 -11.050 359 HB THR 51 HB THR 51 5.389 14.927 -12.991 360 HG1 THR 51 1HG THR 51 4.450 17.083 -11.408 361 HG21 THR 51 1HG2 THR 51 3.200 14.806 -13.410 362 HG22 THR 51 2HG2 THR 51 2.841 16.037 -12.199 363 HG23 THR 51 3HG2 THR 51 2.971 14.344 -11.724 364 H SER 52 H SER 52 6.641 14.495 -8.748 365 HA SER 52 HA SER 52 9.229 14.618 -10.141 366 HB2 SER 52 1HB SER 52 8.442 16.843 -9.123 367 HB3 SER 52 2HB SER 52 8.719 16.084 -7.556 368 HG SER 52 HG SER 52 10.575 17.179 -8.187 369 H SER 53 H SER 53 11.064 14.147 -8.515 370 HA SER 53 HA SER 53 10.362 11.659 -7.170 371 HB2 SER 53 1HB SER 53 12.261 11.497 -8.623 372 HB3 SER 53 2HB SER 53 13.014 12.917 -7.897 373 HG SER 53 HG SER 53 12.404 10.740 -6.250 374 HA PRO 54 HA PRO 54 10.265 13.950 -3.316 375 HB2 PRO 54 1HB PRO 54 9.399 11.856 -1.821 376 HB3 PRO 54 2HB PRO 54 8.324 12.813 -2.847 377 HG2 PRO 54 1HG PRO 54 9.594 10.157 -3.391 378 HG3 PRO 54 2HG PRO 54 7.935 10.693 -3.718 379 HD2 PRO 54 1HD PRO 54 9.842 10.599 -5.638 380 HD3 PRO 54 2HD PRO 54 8.542 11.808 -5.643 381 H GLY 55 H GLY 55 11.467 10.585 -3.413 382 HA2 GLY 55 1HA GLY 55 14.078 11.216 -2.597 383 HA3 GLY 55 2HA GLY 55 13.144 10.802 -1.167 384 H GLU 56 H GLU 56 13.709 8.816 -0.571 385 HA GLU 56 HA GLU 56 14.007 6.763 -2.660 386 HB2 GLU 56 1HB GLU 56 15.888 7.407 -0.914 387 HB3 GLU 56 2HB GLU 56 14.971 6.332 0.132 388 HG2 GLU 56 1HG GLU 56 16.753 5.116 -0.926 389 HG3 GLU 56 2HG GLU 56 15.200 4.543 -1.534 390 H LYS 57 H LYS 57 13.193 6.763 0.811 391 HA LYS 57 HA LYS 57 10.923 4.993 0.177 392 HB2 LYS 57 1HB LYS 57 12.667 5.024 2.647 393 HB3 LYS 57 2HB LYS 57 11.228 4.032 2.450 394 HG2 LYS 57 1HG LYS 57 13.484 3.854 0.493 395 HG3 LYS 57 2HG LYS 57 13.540 2.982 2.027 396 HD2 LYS 57 1HD LYS 57 11.820 1.579 1.448 397 HD3 LYS 57 2HD LYS 57 11.088 2.753 0.351 398 HE2 LYS 57 1HE LYS 57 13.762 1.586 -0.292 399 HE3 LYS 57 2HE LYS 57 12.303 0.644 -0.596 400 HZ1 LYS 57 1HZ LYS 57 12.111 3.337 -1.558 401 HZ2 LYS 57 2HZ LYS 57 11.809 1.880 -2.363 402 HZ3 LYS 57 3HZ LYS 57 13.386 2.486 -2.275 403 H VAL 58 H VAL 58 9.479 6.741 -0.013 404 HA VAL 58 HA VAL 58 9.012 8.309 2.427 405 HB VAL 58 HB VAL 58 7.636 9.786 1.020 406 HG11 VAL 58 1HG1 VAL 58 9.455 10.977 0.526 407 HG12 VAL 58 2HG1 VAL 58 10.393 9.588 1.076 408 HG13 VAL 58 3HG1 VAL 58 10.018 9.778 -0.637 409 HG21 VAL 58 1HG2 VAL 58 6.814 8.284 -0.637 410 HG22 VAL 58 2HG2 VAL 58 7.791 9.495 -1.468 411 HG23 VAL 58 3HG2 VAL 58 8.447 7.885 -1.172 412 H PHE 59 H PHE 59 7.266 6.445 -0.048 413 HA PHE 59 HA PHE 59 4.980 6.237 1.779 414 HB2 PHE 59 1HB PHE 59 5.209 5.648 -1.178 415 HB3 PHE 59 2HB PHE 59 3.750 5.405 -0.225 416 HD1 PHE 59 1HD PHE 59 3.745 7.811 1.462 417 HD2 PHE 59 2HD PHE 59 4.666 7.338 -2.666 418 HE1 PHE 59 1HE PHE 59 3.088 10.146 1.052 419 HE2 PHE 59 2HE PHE 59 4.011 9.673 -3.083 420 HZ PHE 59 HZ PHE 59 3.221 11.080 -1.223 421 H GLN 60 H GLN 60 4.734 4.447 2.928 422 HA GLN 60 HA GLN 60 6.029 1.979 1.977 423 HB2 GLN 60 1HB GLN 60 6.974 2.791 4.073 424 HB3 GLN 60 2HB GLN 60 5.373 2.842 4.799 425 HG2 GLN 60 1HG GLN 60 5.206 0.511 4.873 426 HG3 GLN 60 2HG GLN 60 6.537 0.294 3.738 427 HE21 GLN 60 1HE2 GLN 60 8.366 -0.332 4.610 428 HE22 GLN 60 2HE2 GLN 60 8.882 -0.034 6.232 429 H VAL 61 H VAL 61 4.862 0.130 1.801 430 HA VAL 61 HA VAL 61 1.985 0.319 2.421 431 HB VAL 61 HB VAL 61 3.361 -1.196 0.200 432 HG11 VAL 61 1HG1 VAL 61 1.068 -1.861 -0.477 433 HG12 VAL 61 2HG1 VAL 61 1.579 -2.569 1.057 434 HG13 VAL 61 3HG1 VAL 61 0.465 -1.201 1.043 435 HG21 VAL 61 1HG2 VAL 61 1.674 0.257 -1.129 436 HG22 VAL 61 2HG2 VAL 61 1.646 1.254 0.325 437 HG23 VAL 61 3HG2 VAL 61 3.163 0.993 -0.536 438 H LYS 62 H LYS 62 0.917 -1.591 3.130 439 HA LYS 62 HA LYS 62 2.602 -3.820 3.980 440 HB2 LYS 62 1HB LYS 62 2.608 -2.334 5.904 441 HB3 LYS 62 2HB LYS 62 0.853 -2.218 5.855 442 HG2 LYS 62 1HG LYS 62 1.061 -3.767 7.493 443 HG3 LYS 62 2HG LYS 62 1.046 -4.850 6.099 444 HD2 LYS 62 1HD LYS 62 3.670 -3.771 6.970 445 HD3 LYS 62 2HD LYS 62 2.910 -4.991 7.994 446 HE2 LYS 62 1HE LYS 62 3.445 -5.280 5.039 447 HE3 LYS 62 2HE LYS 62 4.439 -5.967 6.324 448 HZ1 LYS 62 1HZ LYS 62 2.979 -7.609 6.685 449 HZ2 LYS 62 2HZ LYS 62 2.421 -7.254 5.129 450 HZ3 LYS 62 3HZ LYS 62 1.624 -6.618 6.479 451 H VAL 63 H VAL 63 1.528 -5.770 4.164 452 HA VAL 63 HA VAL 63 -1.351 -5.751 3.543 453 HB VAL 63 HB VAL 63 0.685 -7.650 2.369 454 HG11 VAL 63 1HG1 VAL 63 -1.959 -8.142 2.884 455 HG12 VAL 63 2HG1 VAL 63 -1.997 -7.568 1.216 456 HG13 VAL 63 3HG1 VAL 63 -0.990 -8.949 1.651 457 HG21 VAL 63 1HG2 VAL 63 -0.850 -5.361 1.150 458 HG22 VAL 63 2HG2 VAL 63 0.900 -5.519 1.303 459 HG23 VAL 63 3HG2 VAL 63 0.010 -6.581 0.212 460 H SER 64 H SER 64 -2.510 -6.818 4.995 461 HA SER 64 HA SER 64 -1.409 -9.197 6.279 462 HB2 SER 64 1HB SER 64 -0.811 -7.491 7.866 463 HB3 SER 64 2HB SER 64 -2.420 -6.775 7.782 464 HG SER 64 HG SER 64 -1.880 -8.261 9.616 465 H ALA 65 H ALA 65 -2.949 -10.672 6.959 466 HA ALA 65 HA ALA 65 -5.638 -10.202 5.905 467 HB1 ALA 65 1HB ALA 65 -4.061 -12.660 6.550 468 HB2 ALA 65 2HB ALA 65 -5.818 -12.736 6.409 469 HB3 ALA 65 3HB ALA 65 -4.846 -12.197 5.040 470 HA PRO 66 HA PRO 66 -7.370 -9.681 9.925 471 HB2 PRO 66 1HB PRO 66 -9.950 -10.287 9.337 472 HB3 PRO 66 2HB PRO 66 -9.186 -8.768 8.853 473 HG2 PRO 66 1HG PRO 66 -9.650 -11.250 7.246 474 HG3 PRO 66 2HG PRO 66 -9.873 -9.555 6.776 475 HD2 PRO 66 1HD PRO 66 -7.694 -10.992 6.056 476 HD3 PRO 66 2HD PRO 66 -7.628 -9.245 6.359 477 H GLU 67 H GLU 67 -7.850 -12.654 8.115 478 HA GLU 67 HA GLU 67 -8.699 -14.097 10.496 479 HB2 GLU 67 1HB GLU 67 -9.817 -14.605 8.388 480 HB3 GLU 67 2HB GLU 67 -8.277 -15.026 7.650 481 HG2 GLU 67 1HG GLU 67 -8.042 -16.885 9.233 482 HG3 GLU 67 2HG GLU 67 -9.611 -16.476 9.925 483 H GLU 68 H GLU 68 -6.218 -14.691 7.999 484 HA GLU 68 HA GLU 68 -4.720 -16.495 9.530 485 HB2 GLU 68 1HB GLU 68 -4.013 -14.760 7.172 486 HB3 GLU 68 2HB GLU 68 -2.844 -15.848 7.907 487 HG2 GLU 68 1HG GLU 68 -5.493 -16.923 7.082 488 HG3 GLU 68 2HG GLU 68 -4.275 -16.595 5.851 489 H GLN 69 H GLN 69 -4.030 -15.944 11.514 490 HA GLN 69 HA GLN 69 -3.409 -13.521 12.567 491 HB2 GLN 69 1HB GLN 69 -3.452 -15.550 13.906 492 HB3 GLN 69 2HB GLN 69 -1.999 -16.139 13.109 493 HG2 GLN 69 1HG GLN 69 -1.136 -15.334 15.065 494 HG3 GLN 69 2HG GLN 69 -0.951 -13.932 14.013 495 HE21 GLN 69 1HE2 GLN 69 -3.095 -15.389 16.408 496 HE22 GLN 69 2HE2 GLN 69 -3.698 -13.898 17.039 497 H PHE 70 H PHE 70 -1.191 -15.630 10.773 498 HA PHE 70 HA PHE 70 0.656 -13.346 10.540 499 HB2 PHE 70 1HB PHE 70 1.207 -16.306 10.688 500 HB3 PHE 70 2HB PHE 70 2.403 -15.160 10.093 501 HD1 PHE 70 1HD PHE 70 2.915 -13.148 11.674 502 HD2 PHE 70 2HD PHE 70 1.148 -16.810 12.933 503 HE1 PHE 70 1HE PHE 70 3.634 -12.697 13.984 504 HE2 PHE 70 2HE PHE 70 1.864 -16.364 15.245 505 HZ PHE 70 HZ PHE 70 3.107 -14.305 15.773 506 H THR 71 H THR 71 1.610 -12.931 8.537 507 HA THR 71 HA THR 71 0.585 -14.452 6.243 508 HB THR 71 HB THR 71 0.534 -11.439 6.493 509 HG1 THR 71 1HG THR 71 -1.777 -11.993 5.939 510 HG21 THR 71 1HG2 THR 71 0.916 -13.012 4.184 511 HG22 THR 71 2HG2 THR 71 0.564 -11.286 4.271 512 HG23 THR 71 3HG2 THR 71 -0.755 -12.449 4.141 513 H ARG 72 H ARG 72 2.230 -15.128 5.050 514 HA ARG 72 HA ARG 72 4.823 -13.826 5.282 515 HB2 ARG 72 1HB ARG 72 5.687 -15.765 4.078 516 HB3 ARG 72 2HB ARG 72 4.697 -16.274 5.439 517 HG2 ARG 72 1HG ARG 72 2.810 -16.335 3.598 518 HG3 ARG 72 2HG ARG 72 4.198 -16.530 2.526 519 HD2 ARG 72 1HD ARG 72 4.833 -18.539 3.510 520 HD3 ARG 72 2HD ARG 72 3.923 -18.214 4.985 521 HE ARG 72 HE ARG 72 2.092 -18.392 2.900 522 HH11 ARG 72 1HH1 ARG 72 4.383 -20.438 4.539 523 HH12 ARG 72 2HH1 ARG 72 3.486 -21.892 4.252 524 HH21 ARG 72 1HH2 ARG 72 0.902 -20.300 2.516 525 HH22 ARG 72 2HH2 ARG 72 1.507 -21.813 3.100 526 H VAL 73 H VAL 73 4.463 -11.905 4.132 527 HA VAL 73 HA VAL 73 4.401 -12.264 1.215 528 HB VAL 73 HB VAL 73 2.782 -10.309 2.831 529 HG11 VAL 73 1HG1 VAL 73 3.879 -8.969 1.172 530 HG12 VAL 73 2HG1 VAL 73 3.507 -10.144 -0.091 531 HG13 VAL 73 3HG1 VAL 73 2.209 -9.221 0.667 532 HG21 VAL 73 1HG2 VAL 73 0.993 -11.463 2.133 533 HG22 VAL 73 2HG2 VAL 73 1.616 -11.619 0.491 534 HG23 VAL 73 3HG2 VAL 73 2.147 -12.739 1.745 535 H GLY 74 H GLY 74 5.950 -11.185 0.147 536 HA2 GLY 74 1HA GLY 74 7.599 -9.306 1.711 537 HA3 GLY 74 2HA GLY 74 8.181 -10.275 0.365 538 H VAL 75 H VAL 75 6.101 -7.556 1.229 539 HA VAL 75 HA VAL 75 5.615 -6.710 -1.439 540 HB VAL 75 HB VAL 75 5.388 -5.286 1.208 541 HG11 VAL 75 1HG1 VAL 75 4.601 -4.239 -1.510 542 HG12 VAL 75 2HG1 VAL 75 4.276 -3.459 0.040 543 HG13 VAL 75 3HG1 VAL 75 5.937 -3.644 -0.525 544 HG21 VAL 75 1HG2 VAL 75 2.954 -5.495 -0.245 545 HG22 VAL 75 2HG2 VAL 75 3.728 -7.080 -0.231 546 HG23 VAL 75 3HG2 VAL 75 3.389 -6.250 1.288 547 H GLN 76 H GLN 76 6.527 -5.004 -2.604 548 HA GLN 76 HA GLN 76 8.972 -3.788 -1.572 549 HB2 GLN 76 1HB GLN 76 9.590 -5.885 -2.813 550 HB3 GLN 76 2HB GLN 76 8.904 -5.161 -4.261 551 HG2 GLN 76 1HG GLN 76 10.597 -3.630 -4.468 552 HG3 GLN 76 2HG GLN 76 10.988 -3.669 -2.750 553 HE21 GLN 76 1HE2 GLN 76 12.059 -4.520 -5.716 554 HE22 GLN 76 2HE2 GLN 76 13.118 -5.817 -5.290 555 H VAL 77 H VAL 77 8.642 -1.682 -1.786 556 HA VAL 77 HA VAL 77 7.121 -0.704 -4.105 557 HB VAL 77 HB VAL 77 6.318 -0.120 -1.789 558 HG11 VAL 77 1HG1 VAL 77 8.717 0.246 -0.971 559 HG12 VAL 77 2HG1 VAL 77 8.591 1.839 -1.719 560 HG13 VAL 77 3HG1 VAL 77 7.483 1.381 -0.425 561 HG21 VAL 77 1HG2 VAL 77 5.760 2.156 -2.364 562 HG22 VAL 77 2HG2 VAL 77 7.093 2.229 -3.516 563 HG23 VAL 77 3HG2 VAL 77 5.722 1.163 -3.821 564 H LEU 78 H LEU 78 8.268 0.111 -5.718 565 HA LEU 78 HA LEU 78 10.679 1.669 -5.102 566 HB2 LEU 78 1HB LEU 78 10.420 -0.709 -6.854 567 HB3 LEU 78 2HB LEU 78 11.440 0.610 -7.426 568 HG LEU 78 HG LEU 78 12.817 -1.027 -6.343 569 HD11 LEU 78 1HD1 LEU 78 12.782 0.925 -4.154 570 HD12 LEU 78 2HD1 LEU 78 12.857 1.622 -5.771 571 HD13 LEU 78 3HD1 LEU 78 14.084 0.468 -5.252 572 HD21 LEU 78 1HD2 LEU 78 11.623 -0.675 -3.670 573 HD22 LEU 78 2HD2 LEU 78 12.340 -2.102 -4.418 574 HD23 LEU 78 3HD2 LEU 78 10.685 -1.635 -4.815 575 H ASP 79 H ASP 79 11.345 3.090 -6.898 576 HA ASP 79 HA ASP 79 8.985 4.234 -8.178 577 HB2 ASP 79 1HB ASP 79 10.256 6.226 -8.460 578 HB3 ASP 79 2HB ASP 79 10.627 5.631 -6.844 579 H ARG 80 H ARG 80 8.522 3.182 -10.028 580 HA ARG 80 HA ARG 80 10.691 2.525 -11.879 581 HB2 ARG 80 1HB ARG 80 9.179 1.062 -12.969 582 HB3 ARG 80 2HB ARG 80 8.910 0.837 -11.246 583 HG2 ARG 80 1HG ARG 80 6.837 1.794 -11.300 584 HG3 ARG 80 2HG ARG 80 7.220 2.806 -12.695 585 HD2 ARG 80 1HD ARG 80 5.608 0.981 -13.191 586 HD3 ARG 80 2HD ARG 80 7.069 0.926 -14.175 587 HE ARG 80 HE ARG 80 7.546 -0.701 -11.997 588 HH11 ARG 80 1HH1 ARG 80 5.273 -0.568 -14.631 589 HH12 ARG 80 2HH1 ARG 80 5.045 -2.285 -14.692 590 HH21 ARG 80 1HH2 ARG 80 7.255 -2.962 -12.069 591 HH22 ARG 80 2HH2 ARG 80 6.173 -3.645 -13.234 592 H LYS 81 H LYS 81 7.926 4.614 -11.516 593 HA LYS 81 HA LYS 81 8.101 5.541 -14.273 594 HB2 LYS 81 1HB LYS 81 6.168 5.873 -12.034 595 HB3 LYS 81 2HB LYS 81 6.255 7.163 -13.227 596 HG2 LYS 81 1HG LYS 81 5.915 4.302 -14.047 597 HG3 LYS 81 2HG LYS 81 4.538 5.304 -13.582 598 HD2 LYS 81 1HD LYS 81 5.262 6.963 -15.304 599 HD3 LYS 81 2HD LYS 81 6.484 5.803 -15.832 600 HE2 LYS 81 1HE LYS 81 3.535 5.196 -15.727 601 HE3 LYS 81 2HE LYS 81 4.356 5.801 -17.165 602 HZ1 LYS 81 1HZ LYS 81 5.894 3.809 -16.836 603 HZ2 LYS 81 2HZ LYS 81 4.341 3.509 -17.436 604 HZ3 LYS 81 3HZ LYS 81 4.694 3.199 -15.811 605 H ASP 82 H ASP 82 7.609 8.149 -14.220 606 HA ASP 82 HA ASP 82 10.008 9.255 -12.940 607 HB2 ASP 82 1HB ASP 82 8.356 10.553 -15.108 608 HB3 ASP 82 2HB ASP 82 9.997 10.957 -14.611 609 H GLY 83 H GLY 83 8.288 9.003 -11.027 610 HA2 GLY 83 1HA GLY 83 7.898 11.100 -9.588 611 HA3 GLY 83 2HA GLY 83 6.734 11.498 -10.842 612 H SER 84 H SER 84 6.798 8.198 -10.493 613 HA SER 84 HA SER 84 4.761 8.182 -8.380 614 HB2 SER 84 1HB SER 84 4.455 7.201 -11.204 615 HB3 SER 84 2HB SER 84 3.536 6.456 -9.896 616 HG SER 84 HG SER 84 3.558 9.235 -10.476 617 H PHE 85 H PHE 85 4.637 6.301 -7.183 618 HA PHE 85 HA PHE 85 6.892 4.463 -7.548 619 HB2 PHE 85 1HB PHE 85 5.223 5.243 -5.173 620 HB3 PHE 85 2HB PHE 85 6.172 3.760 -5.155 621 HD1 PHE 85 2HD PHE 85 6.969 7.099 -6.586 622 HD2 PHE 85 1HD PHE 85 7.908 4.137 -3.678 623 HE1 PHE 85 2HE PHE 85 8.958 8.386 -5.922 624 HE2 PHE 85 1HE PHE 85 9.898 5.420 -3.008 625 HZ PHE 85 HZ PHE 85 10.426 7.547 -4.132 626 H ILE 86 H ILE 86 6.630 2.273 -7.729 627 HA ILE 86 HA ILE 86 3.865 1.342 -8.135 628 HB ILE 86 HB ILE 86 5.282 1.277 -10.160 629 HG12 ILE 86 1HG1 ILE 86 5.037 -1.368 -10.407 630 HG13 ILE 86 2HG1 ILE 86 4.119 -1.170 -8.919 631 HG21 ILE 86 1HG2 ILE 86 7.264 0.135 -10.323 632 HG22 ILE 86 2HG2 ILE 86 7.353 0.703 -8.657 633 HG23 ILE 86 3HG2 ILE 86 6.870 -0.958 -8.997 634 HD11 ILE 86 1HD1 ILE 86 2.478 -1.004 -10.508 635 HD12 ILE 86 2HD1 ILE 86 2.892 0.693 -10.263 636 HD13 ILE 86 3HD1 ILE 86 3.525 -0.176 -11.660 637 H VAL 87 H VAL 87 3.128 -0.394 -7.038 638 HA VAL 87 HA VAL 87 4.924 -1.553 -5.028 639 HB VAL 87 HB VAL 87 1.908 -1.663 -5.174 640 HG11 VAL 87 1HG1 VAL 87 3.659 -3.312 -3.791 641 HG12 VAL 87 2HG1 VAL 87 3.119 -2.139 -2.589 642 HG13 VAL 87 3HG1 VAL 87 1.937 -3.102 -3.475 643 HG21 VAL 87 1HG2 VAL 87 2.058 0.468 -4.497 644 HG22 VAL 87 2HG2 VAL 87 2.556 -0.213 -2.948 645 HG23 VAL 87 3HG2 VAL 87 3.772 0.323 -4.107 646 H ARG 88 H ARG 88 5.356 -3.701 -4.925 647 HA ARG 88 HA ARG 88 3.939 -5.519 -6.728 648 HB2 ARG 88 1HB ARG 88 6.351 -6.508 -7.151 649 HB3 ARG 88 2HB ARG 88 5.718 -5.201 -8.142 650 HG2 ARG 88 1HG ARG 88 6.903 -3.599 -6.623 651 HG3 ARG 88 2HG ARG 88 7.672 -4.996 -5.867 652 HD2 ARG 88 1HD ARG 88 9.260 -4.499 -7.423 653 HD3 ARG 88 2HD ARG 88 8.249 -5.578 -8.383 654 HE ARG 88 HE ARG 88 7.167 -3.203 -8.941 655 HH11 ARG 88 1HH1 ARG 88 10.487 -4.246 -8.857 656 HH12 ARG 88 2HH1 ARG 88 11.004 -3.133 -10.080 657 HH21 ARG 88 1HH2 ARG 88 7.835 -1.733 -10.551 658 HH22 ARG 88 2HH2 ARG 88 9.495 -1.703 -11.042 659 H TYR 89 H TYR 89 3.399 -7.343 -5.726 660 HA TYR 89 HA TYR 89 5.120 -8.563 -3.761 661 HB2 TYR 89 1HB TYR 89 3.731 -8.392 -1.874 662 HB3 TYR 89 2HB TYR 89 3.728 -6.769 -2.555 663 HD1 TYR 89 1HD TYR 89 1.755 -6.167 -4.114 664 HD2 TYR 89 2HD TYR 89 1.716 -9.478 -1.441 665 HE1 TYR 89 1HE TYR 89 -0.702 -6.207 -4.209 666 HE2 TYR 89 2HE TYR 89 -0.741 -9.528 -1.530 667 HH TYR 89 HH TYR 89 -2.585 -8.349 -2.151 668 H ARG 90 H ARG 90 4.663 -10.726 -3.424 669 HA ARG 90 HA ARG 90 2.247 -11.862 -4.586 670 HB2 ARG 90 1HB ARG 90 3.342 -13.336 -6.077 671 HB3 ARG 90 2HB ARG 90 4.045 -11.752 -6.376 672 HG2 ARG 90 1HG ARG 90 5.365 -13.636 -4.472 673 HG3 ARG 90 2HG ARG 90 5.579 -13.831 -6.213 674 HD2 ARG 90 1HD ARG 90 7.340 -12.451 -5.773 675 HD3 ARG 90 2HD ARG 90 6.093 -11.241 -6.074 676 HE ARG 90 HE ARG 90 6.400 -10.545 -3.933 677 HH11 ARG 90 1HH1 ARG 90 7.268 -13.912 -4.115 678 HH12 ARG 90 2HH1 ARG 90 7.741 -14.014 -2.451 679 HH21 ARG 90 1HH2 ARG 90 7.020 -10.667 -1.742 680 HH22 ARG 90 2HH2 ARG 90 7.599 -12.168 -1.102 681 H MET 91 H MET 91 1.648 -13.812 -3.690 682 HA MET 91 HA MET 91 3.432 -14.923 -1.629 683 HB2 MET 91 1HB MET 91 1.682 -15.107 -0.064 684 HB3 MET 91 2HB MET 91 1.521 -13.487 -0.730 685 HG2 MET 91 1HG MET 91 -0.122 -14.714 -2.389 686 HG3 MET 91 2HG MET 91 -0.229 -15.859 -1.054 687 HE1 MET 91 1HE MET 91 -0.384 -12.433 -2.303 688 HE2 MET 91 2HE MET 91 -1.894 -11.801 -1.646 689 HE3 MET 91 3HE MET 91 -0.376 -11.529 -0.789 690 H TYR 92 H TYR 92 1.716 -15.461 -4.414 691 HA TYR 92 HA TYR 92 0.769 -17.313 -5.412 692 HB2 TYR 92 1HB TYR 92 3.506 -17.984 -4.459 693 HB3 TYR 92 2HB TYR 92 2.529 -19.301 -5.099 694 HD1 TYR 92 2HD TYR 92 1.649 -19.132 -7.449 695 HD2 TYR 92 1HD TYR 92 4.527 -16.409 -5.898 696 HE1 TYR 92 2HE TYR 92 2.246 -18.467 -9.740 697 HE2 TYR 92 1HE TYR 92 5.131 -15.736 -8.185 698 HH TYR 92 HH TYR 92 3.945 -15.738 -10.478 699 H ALA 93 H ALA 93 -0.148 -16.932 -2.683 700 HA ALA 93 HA ALA 93 -0.776 -19.735 -2.029 701 HB1 ALA 93 1HB ALA 93 0.709 -18.093 -0.426 702 HB2 ALA 93 2HB ALA 93 -0.917 -17.880 0.226 703 HB3 ALA 93 3HB ALA 93 -0.212 -19.494 0.123 704 H SER 94 H SER 94 -2.875 -20.195 -2.065 705 HA SER 94 HA SER 94 -4.877 -18.593 -2.945 706 HB2 SER 94 1HB SER 94 -5.285 -20.719 -0.832 707 HB3 SER 94 2HB SER 94 -6.461 -20.165 -2.024 708 HG SER 94 HG SER 94 -4.645 -22.093 -2.269 709 H TYR 95 H TYR 95 -5.766 -16.778 -2.246 710 HA TYR 95 HA TYR 95 -5.925 -16.309 0.659 711 HB2 TYR 95 1HB TYR 95 -5.542 -13.925 0.247 712 HB3 TYR 95 2HB TYR 95 -4.191 -14.887 -0.342 713 HD1 TYR 95 2HD TYR 95 -4.417 -15.597 -2.902 714 HD2 TYR 95 1HD TYR 95 -6.346 -12.249 -1.119 715 HE1 TYR 95 2HE TYR 95 -4.629 -14.547 -5.116 716 HE2 TYR 95 1HE TYR 95 -6.564 -11.190 -3.328 717 HH TYR 95 HH TYR 95 -6.653 -12.214 -5.858 718 H LYS 96 H LYS 96 -7.802 -15.455 1.449 719 HA LYS 96 HA LYS 96 -10.024 -15.251 -0.468 720 HB2 LYS 96 1HB LYS 96 -9.959 -15.945 2.467 721 HB3 LYS 96 2HB LYS 96 -11.451 -15.580 1.611 722 HG2 LYS 96 1HG LYS 96 -11.391 -17.878 1.530 723 HG3 LYS 96 2HG LYS 96 -10.676 -17.436 -0.022 724 HD2 LYS 96 1HD LYS 96 -8.514 -17.962 0.691 725 HD3 LYS 96 2HD LYS 96 -8.964 -17.903 2.397 726 HE2 LYS 96 1HE LYS 96 -10.187 -19.946 2.215 727 HE3 LYS 96 2HE LYS 96 -10.025 -19.952 0.460 728 HZ1 LYS 96 1HZ LYS 96 -7.967 -20.798 0.573 729 HZ2 LYS 96 2HZ LYS 96 -8.421 -21.297 2.124 730 HZ3 LYS 96 3HZ LYS 96 -7.528 -19.874 1.921 731 H ASN 97 H ASN 97 -8.599 -13.714 2.389 732 HA ASN 97 HA ASN 97 -9.856 -11.192 1.557 733 HB2 ASN 97 1HB ASN 97 -10.003 -10.720 4.114 734 HB3 ASN 97 2HB ASN 97 -11.243 -11.713 3.355 735 HD21 ASN 97 1HD2 ASN 97 -11.225 -13.955 3.694 736 HD22 ASN 97 2HD2 ASN 97 -10.388 -14.656 5.033 737 H LEU 98 H LEU 98 -8.648 -9.343 1.914 738 HA LEU 98 HA LEU 98 -6.072 -9.579 3.256 739 HB2 LEU 98 1HB LEU 98 -6.462 -9.104 0.340 740 HB3 LEU 98 2HB LEU 98 -5.142 -8.279 1.168 741 HG LEU 98 HG LEU 98 -5.505 -11.272 1.140 742 HD11 LEU 98 1HD1 LEU 98 -3.725 -9.543 -0.571 743 HD12 LEU 98 2HD1 LEU 98 -5.120 -10.469 -1.123 744 HD13 LEU 98 3HD1 LEU 98 -3.695 -11.305 -0.505 745 HD21 LEU 98 1HD2 LEU 98 -4.045 -9.727 2.849 746 HD22 LEU 98 2HD2 LEU 98 -2.866 -10.086 1.588 747 HD23 LEU 98 3HD2 LEU 98 -3.681 -11.402 2.435 748 H LYS 99 H LYS 99 -5.046 -7.497 3.635 749 HA LYS 99 HA LYS 99 -6.844 -5.192 3.372 750 HB2 LYS 99 1HB LYS 99 -7.278 -5.807 5.594 751 HB3 LYS 99 2HB LYS 99 -5.606 -6.265 5.890 752 HG2 LYS 99 1HG LYS 99 -4.913 -4.063 6.138 753 HG3 LYS 99 2HG LYS 99 -6.329 -3.422 5.301 754 HD2 LYS 99 1HD LYS 99 -6.215 -3.185 7.860 755 HD3 LYS 99 2HD LYS 99 -7.721 -3.761 7.142 756 HE2 LYS 99 1HE LYS 99 -7.370 -5.942 7.847 757 HE3 LYS 99 2HE LYS 99 -5.632 -5.710 8.028 758 HZ1 LYS 99 1HZ LYS 99 -6.388 -4.035 9.851 759 HZ2 LYS 99 2HZ LYS 99 -6.317 -5.689 10.194 760 HZ3 LYS 99 3HZ LYS 99 -7.804 -4.959 9.852 761 H VAL 100 H VAL 100 -5.843 -3.463 2.576 762 HA VAL 100 HA VAL 100 -2.915 -3.477 2.454 763 HB VAL 100 HB VAL 100 -4.942 -1.840 0.925 764 HG11 VAL 100 1HG1 VAL 100 -3.330 -0.456 0.274 765 HG12 VAL 100 2HG1 VAL 100 -2.287 -1.183 1.498 766 HG13 VAL 100 3HG1 VAL 100 -2.273 -1.801 -0.154 767 HG21 VAL 100 1HG2 VAL 100 -3.095 -4.058 0.045 768 HG22 VAL 100 2HG2 VAL 100 -4.842 -4.186 0.253 769 HG23 VAL 100 3HG2 VAL 100 -4.178 -3.140 -1.002 770 H GLU 101 H GLU 101 -1.691 -2.040 3.516 771 HA GLU 101 HA GLU 101 -3.032 0.246 4.800 772 HB2 GLU 101 1HB GLU 101 -1.237 -1.822 5.973 773 HB3 GLU 101 2HB GLU 101 -1.081 -0.173 6.561 774 HG2 GLU 101 1HG GLU 101 -3.405 -0.142 7.209 775 HG3 GLU 101 2HG GLU 101 -3.646 -1.748 6.523 776 H ILE 102 H ILE 102 -2.144 2.162 4.386 777 HA ILE 102 HA ILE 102 0.666 2.267 3.527 778 HB ILE 102 HB ILE 102 -1.418 4.026 2.267 779 HG12 ILE 102 1HG1 ILE 102 -1.039 2.338 0.282 780 HG13 ILE 102 2HG1 ILE 102 -0.658 1.212 1.581 781 HG21 ILE 102 1HG2 ILE 102 1.277 4.190 2.252 782 HG22 ILE 102 2HG2 ILE 102 1.005 3.193 0.823 783 HG23 ILE 102 3HG2 ILE 102 0.245 4.779 0.949 784 HD11 ILE 102 1HD1 ILE 102 -2.823 0.810 1.759 785 HD12 ILE 102 2HD1 ILE 102 -3.032 2.459 2.350 786 HD13 ILE 102 3HD1 ILE 102 -3.209 2.110 0.631 787 H LYS 103 H LYS 103 1.736 3.467 4.941 788 HA LYS 103 HA LYS 103 0.421 5.871 6.026 789 HB2 LYS 103 1HB LYS 103 2.438 4.126 7.450 790 HB3 LYS 103 2HB LYS 103 1.644 5.550 8.108 791 HG2 LYS 103 1HG LYS 103 -0.481 4.446 8.100 792 HG3 LYS 103 2HG LYS 103 0.195 3.057 7.246 793 HD2 LYS 103 1HD LYS 103 1.650 2.595 9.167 794 HD3 LYS 103 2HD LYS 103 0.954 3.975 10.020 795 HE2 LYS 103 1HE LYS 103 -1.301 2.820 9.669 796 HE3 LYS 103 2HE LYS 103 -0.363 1.389 9.244 797 HZ1 LYS 103 1HZ LYS 103 -0.475 1.002 11.437 798 HZ2 LYS 103 2HZ LYS 103 -0.793 2.616 11.831 799 HZ3 LYS 103 3HZ LYS 103 0.796 2.114 11.539 800 H PHE 104 H PHE 104 1.968 7.563 6.744 801 HA PHE 104 HA PHE 104 4.586 7.501 5.483 802 HB2 PHE 104 1HB PHE 104 3.546 8.406 3.620 803 HB3 PHE 104 2HB PHE 104 2.330 9.245 4.579 804 HD1 PHE 104 1HD PHE 104 6.061 9.274 4.610 805 HD2 PHE 104 2HD PHE 104 2.458 11.503 4.200 806 HE1 PHE 104 1HE PHE 104 7.369 11.351 4.442 807 HE2 PHE 104 2HE PHE 104 3.760 13.583 4.030 808 HZ PHE 104 HZ PHE 104 6.219 13.509 4.150 809 H GLN 105 H GLN 105 5.900 8.113 7.061 810 HA GLN 105 HA GLN 105 6.793 9.235 8.826 811 HB2 GLN 105 1HB GLN 105 5.175 11.302 7.425 812 HB3 GLN 105 2HB GLN 105 5.768 11.690 9.035 813 HG2 GLN 105 1HG GLN 105 7.685 10.583 7.054 814 HG3 GLN 105 2HG GLN 105 7.157 12.255 6.876 815 HE21 GLN 105 1HE2 GLN 105 8.855 13.409 7.511 816 HE22 GLN 105 2HE2 GLN 105 9.659 13.251 9.032 817 H GLY 106 H GLY 106 4.261 7.680 9.115 818 HA2 GLY 106 1HA GLY 106 3.160 7.050 11.079 819 HA3 GLY 106 2HA GLY 106 3.673 8.557 11.823 820 H GLN 107 H GLN 107 1.846 7.937 8.837 821 HA GLN 107 HA GLN 107 -0.649 8.748 9.934 822 HB2 GLN 107 1HB GLN 107 -0.874 10.921 9.230 823 HB3 GLN 107 2HB GLN 107 0.840 10.904 9.626 824 HG2 GLN 107 1HG GLN 107 1.141 10.264 7.128 825 HG3 GLN 107 2HG GLN 107 -0.484 10.924 6.954 826 HE21 GLN 107 1HE2 GLN 107 2.807 11.647 7.915 827 HE22 GLN 107 2HE2 GLN 107 2.697 13.357 7.697 828 H HIS 108 H HIS 108 -2.302 8.137 8.636 829 HA HIS 108 HA HIS 108 -1.741 6.513 6.384 830 HB2 HIS 108 1HB HIS 108 -4.269 7.560 7.626 831 HB3 HIS 108 2HB HIS 108 -4.316 6.676 6.104 832 HD1 HIS 108 1HD HIS 108 -3.996 4.154 6.197 833 HD2 HIS 108 2HD HIS 108 -3.492 6.012 9.878 834 HE1 HIS 108 1HE HIS 108 -3.914 2.291 7.884 835 HE2 HIS 108 2HE HIS 108 -3.694 3.444 10.113 836 H VAL 109 H VAL 109 -2.146 6.843 4.199 837 HA VAL 109 HA VAL 109 -2.178 9.660 3.388 838 HB VAL 109 HB VAL 109 -1.429 7.197 1.805 839 HG11 VAL 109 1HG1 VAL 109 -1.367 8.433 -0.049 840 HG12 VAL 109 2HG1 VAL 109 -2.296 9.642 0.840 841 HG13 VAL 109 3HG1 VAL 109 -0.537 9.755 0.770 842 HG21 VAL 109 1HG2 VAL 109 0.148 7.780 3.613 843 HG22 VAL 109 2HG2 VAL 109 0.853 7.974 2.008 844 HG23 VAL 109 3HG2 VAL 109 0.321 9.390 2.915 845 H ALA 110 H ALA 110 -3.867 6.612 2.927 846 HA ALA 110 HA ALA 110 -5.979 8.076 1.480 847 HB1 ALA 110 1HB ALA 110 -6.050 6.537 -0.133 848 HB2 ALA 110 2HB ALA 110 -4.484 5.997 0.474 849 HB3 ALA 110 3HB ALA 110 -5.962 5.203 1.019 850 H LYS 111 H LYS 111 -8.010 6.359 1.497 851 HA LYS 111 HA LYS 111 -9.080 6.560 4.072 852 HB2 LYS 111 1HB LYS 111 -10.756 6.387 2.530 853 HB3 LYS 111 2HB LYS 111 -9.873 5.233 1.539 854 HG2 LYS 111 1HG LYS 111 -11.786 4.139 2.452 855 HG3 LYS 111 2HG LYS 111 -10.348 3.491 3.244 856 HD2 LYS 111 1HD LYS 111 -11.707 3.833 5.061 857 HD3 LYS 111 2HD LYS 111 -10.862 5.381 4.999 858 HE2 LYS 111 1HE LYS 111 -13.028 6.100 5.193 859 HE3 LYS 111 2HE LYS 111 -12.869 6.045 3.438 860 HZ1 LYS 111 1HZ LYS 111 -13.675 3.520 4.240 861 HZ2 LYS 111 2HZ LYS 111 -14.590 4.675 3.409 862 HZ3 LYS 111 3HZ LYS 111 -14.644 4.609 5.099 863 H SER 112 H SER 112 -6.792 4.408 2.914 864 HA SER 112 HA SER 112 -7.213 1.933 3.814 865 HB2 SER 112 1HB SER 112 -5.045 2.202 3.081 866 HB3 SER 112 2HB SER 112 -4.809 3.694 3.991 867 HG SER 112 HG SER 112 -4.702 2.418 5.891 868 HA PRO 113 HA PRO 113 -6.061 0.284 5.014 869 HB2 PRO 113 1HB PRO 113 -7.460 -1.662 6.290 870 HB3 PRO 113 2HB PRO 113 -5.941 -1.006 6.912 871 HG2 PRO 113 1HG PRO 113 -8.753 -0.344 7.698 872 HG3 PRO 113 2HG PRO 113 -7.333 -0.598 8.730 873 HD2 PRO 113 1HD PRO 113 -8.250 1.870 8.095 874 HD3 PRO 113 2HD PRO 113 -6.528 1.530 8.361 875 H TYR 114 H TYR 114 -7.148 -1.368 3.677 876 HA TYR 114 HA TYR 114 -9.860 -0.512 2.903 877 HB2 TYR 114 1HB TYR 114 -7.479 -1.283 1.258 878 HB3 TYR 114 2HB TYR 114 -9.095 -1.569 0.624 879 HD1 TYR 114 1HD TYR 114 -10.714 0.561 0.901 880 HD2 TYR 114 2HD TYR 114 -6.467 0.702 0.679 881 HE1 TYR 114 1HE TYR 114 -10.837 2.899 0.147 882 HE2 TYR 114 2HE TYR 114 -6.578 3.041 -0.074 883 HH TYR 114 HH TYR 114 -8.100 4.933 0.012 884 H ILE 115 H ILE 115 -11.151 -1.984 3.857 885 HA ILE 115 HA ILE 115 -10.451 -4.760 4.056 886 HB ILE 115 HB ILE 115 -13.224 -3.683 4.467 887 HG12 ILE 115 1HG1 ILE 115 -11.885 -2.128 5.685 888 HG13 ILE 115 2HG1 ILE 115 -12.506 -3.282 6.861 889 HG21 ILE 115 1HG2 ILE 115 -13.216 -5.426 6.256 890 HG22 ILE 115 2HG2 ILE 115 -13.038 -6.059 4.620 891 HG23 ILE 115 3HG2 ILE 115 -11.630 -5.935 5.675 892 HD11 ILE 115 1HD1 ILE 115 -9.782 -2.633 6.166 893 HD12 ILE 115 2HD1 ILE 115 -10.418 -3.504 7.562 894 HD13 ILE 115 3HD1 ILE 115 -10.091 -4.366 6.058 895 H LEU 116 H LEU 116 -10.378 -5.920 2.231 896 HA LEU 116 HA LEU 116 -12.522 -5.579 0.252 897 HB2 LEU 116 1HB LEU 116 -9.936 -7.078 -0.094 898 HB3 LEU 116 2HB LEU 116 -11.072 -6.591 -1.350 899 HG LEU 116 HG LEU 116 -9.776 -4.460 0.272 900 HD11 LEU 116 1HD1 LEU 116 -7.906 -4.494 -1.453 901 HD12 LEU 116 2HD1 LEU 116 -8.392 -6.156 -1.782 902 HD13 LEU 116 3HD1 LEU 116 -7.838 -5.702 -0.170 903 HD21 LEU 116 1HD2 LEU 116 -11.429 -4.595 -1.976 904 HD22 LEU 116 2HD2 LEU 116 -9.841 -4.134 -2.588 905 HD23 LEU 116 3HD2 LEU 116 -10.615 -3.170 -1.330 906 H LYS 117 H LYS 117 -14.137 -6.976 0.392 907 HA LYS 117 HA LYS 117 -13.679 -9.796 0.481 908 HB2 LYS 117 1HB LYS 117 -14.906 -10.249 2.560 909 HB3 LYS 117 2HB LYS 117 -13.439 -9.329 2.864 910 HG2 LYS 117 1HG LYS 117 -14.714 -7.297 3.113 911 HG3 LYS 117 2HG LYS 117 -16.201 -8.144 2.681 912 HD2 LYS 117 1HD LYS 117 -16.363 -8.169 4.968 913 HD3 LYS 117 2HD LYS 117 -15.511 -9.691 4.697 914 HE2 LYS 117 1HE LYS 117 -13.384 -8.165 4.913 915 HE3 LYS 117 2HE LYS 117 -14.495 -7.104 5.779 916 HZ1 LYS 117 1HZ LYS 117 -14.517 -8.452 7.539 917 HZ2 LYS 117 2HZ LYS 117 -13.129 -9.157 6.878 918 HZ3 LYS 117 3HZ LYS 117 -14.645 -9.856 6.604 919 H GLY 118 H GLY 118 -15.443 -10.961 -0.228 920 HA2 GLY 118 1HA GLY 118 -18.029 -9.632 -0.453 921 HA3 GLY 118 2HA GLY 118 -17.226 -10.032 -1.965 922 H SER 119 H SER 119 -19.564 -11.047 0.013 923 HA SER 119 HA SER 119 -19.013 -13.905 -0.440 924 HB2 SER 119 1HB SER 119 -19.500 -12.867 1.941 925 HB3 SER 119 2HB SER 119 -21.178 -12.980 1.408 926 HG SER 119 HG SER 119 -20.346 -14.864 2.537 927 H GLY 120 H GLY 120 -21.505 -11.397 -0.658 928 HA2 GLY 120 1HA GLY 120 -23.020 -13.181 -2.461 929 HA3 GLY 120 2HA GLY 120 -23.759 -11.945 -1.454 930 HA PRO 121 HA PRO 121 -22.962 -10.339 -5.802 931 HB2 PRO 121 1HB PRO 121 -25.558 -9.830 -6.414 932 HB3 PRO 121 2HB PRO 121 -24.783 -11.387 -6.732 933 HG2 PRO 121 1HG PRO 121 -26.567 -10.585 -4.465 934 HG3 PRO 121 2HG PRO 121 -26.569 -12.083 -5.414 935 HD2 PRO 121 1HD PRO 121 -25.450 -11.919 -2.954 936 HD3 PRO 121 2HD PRO 121 -24.818 -12.990 -4.221 937 H SER 122 H SER 122 -24.078 -9.307 -2.837 938 HA SER 122 HA SER 122 -24.678 -6.581 -3.696 939 HB2 SER 122 1HB SER 122 -26.099 -7.695 -1.971 940 HB3 SER 122 2HB SER 122 -24.700 -7.740 -0.899 941 HG SER 122 HG SER 122 -25.076 -5.740 -0.412 942 H SER 123 H SER 123 -23.510 -4.776 -3.009 943 HA SER 123 HA SER 123 -20.717 -5.073 -2.920 944 HB2 SER 123 1HB SER 123 -21.960 -3.035 -3.713 945 HB3 SER 123 2HB SER 123 -22.286 -2.646 -2.024 946 HG SER 123 HG SER 123 -20.402 -1.740 -2.027 947 H GLY 124 H GLY 124 -22.989 -4.076 -0.356 948 HA2 GLY 124 1HA GLY 124 -21.278 -5.356 1.624 949 HA3 GLY 124 2HA GLY 124 -21.468 -3.616 1.780 Start of MODEL 10 1 H1 GLY 1 H GLY 1 7.020 6.769 21.060 2 HA2 GLY 1 1HA GLY 1 7.045 7.780 23.813 3 HA3 GLY 1 2HA GLY 1 8.554 7.184 23.137 4 H SER 2 H SER 2 8.599 8.127 20.625 5 HA SER 2 HA SER 2 9.365 10.804 20.948 6 HB2 SER 2 1HB SER 2 10.373 9.567 19.181 7 HB3 SER 2 2HB SER 2 8.808 9.149 18.484 8 HG SER 2 HG SER 2 9.499 10.807 17.261 9 H SER 3 H SER 3 8.434 12.741 20.313 10 HA SER 3 HA SER 3 5.940 12.965 19.004 11 HB2 SER 3 1HB SER 3 5.434 12.068 21.439 12 HB3 SER 3 2HB SER 3 5.656 13.762 21.873 13 HG SER 3 HG SER 3 3.531 12.596 20.761 14 H GLY 4 H GLY 4 5.333 15.131 18.632 15 HA2 GLY 4 1HA GLY 4 5.569 17.447 18.673 16 HA3 GLY 4 2HA GLY 4 6.846 17.270 19.868 17 H SER 5 H SER 5 6.077 17.463 16.493 18 HA SER 5 HA SER 5 8.901 17.951 15.915 19 HB2 SER 5 1HB SER 5 7.202 15.817 14.670 20 HB3 SER 5 2HB SER 5 8.454 16.603 13.708 21 HG SER 5 HG SER 5 9.288 14.769 14.735 22 H SER 6 H SER 6 9.147 19.731 14.737 23 HA SER 6 HA SER 6 6.828 20.720 13.209 24 HB2 SER 6 1HB SER 6 8.885 22.173 14.853 25 HB3 SER 6 2HB SER 6 8.012 23.004 13.566 26 HG SER 6 HG SER 6 7.192 22.589 16.015 27 H GLY 7 H GLY 7 7.522 22.310 11.441 28 HA2 GLY 7 1HA GLY 7 9.923 22.539 10.229 29 HA3 GLY 7 2HA GLY 7 9.423 20.922 9.757 30 H GLU 8 H GLU 8 8.684 24.341 9.521 31 HA GLU 8 HA GLU 8 7.098 23.751 7.113 32 HB2 GLU 8 1HB GLU 8 6.479 25.702 9.324 33 HB3 GLU 8 2HB GLU 8 5.766 25.845 7.724 34 HG2 GLU 8 1HG GLU 8 5.013 23.414 8.070 35 HG3 GLU 8 2HG GLU 8 5.370 23.702 9.772 36 H THR 9 H THR 9 9.048 24.130 5.930 37 HA THR 9 HA THR 9 10.526 26.531 6.084 38 HB THR 9 HB THR 9 10.246 24.694 3.698 39 HG1 THR 9 1HG THR 9 11.064 23.414 5.256 40 HG21 THR 9 1HG2 THR 9 12.830 25.842 3.957 41 HG22 THR 9 2HG2 THR 9 11.647 27.145 4.068 42 HG23 THR 9 3HG2 THR 9 11.653 26.076 2.666 43 H GLY 10 H GLY 10 10.210 28.496 5.220 44 HA2 GLY 10 1HA GLY 10 7.695 29.012 3.872 45 HA3 GLY 10 2HA GLY 10 8.855 30.214 4.417 46 H GLY 11 H GLY 11 7.783 28.255 1.789 47 HA2 GLY 11 1HA GLY 11 8.618 29.785 -0.270 48 HA3 GLY 11 2HA GLY 11 10.059 28.851 0.103 49 H GLU 12 H GLU 12 9.542 26.400 0.374 50 HA GLU 12 HA GLU 12 8.436 25.547 -2.133 51 HB2 GLU 12 1HB GLU 12 9.202 23.348 -1.531 52 HB3 GLU 12 2HB GLU 12 10.450 24.508 -1.099 53 HG2 GLU 12 1HG GLU 12 9.573 24.451 1.241 54 HG3 GLU 12 2HG GLU 12 8.523 23.125 0.746 55 H ARG 13 H ARG 13 6.878 23.715 -2.251 56 HA ARG 13 HA ARG 13 4.515 24.377 -0.766 57 HB2 ARG 13 1HB ARG 13 5.186 22.495 -2.987 58 HB3 ARG 13 2HB ARG 13 3.700 22.237 -2.083 59 HG2 ARG 13 1HG ARG 13 2.976 23.544 -3.828 60 HG3 ARG 13 2HG ARG 13 3.271 24.750 -2.574 61 HD2 ARG 13 1HD ARG 13 5.204 25.521 -3.589 62 HD3 ARG 13 2HD ARG 13 5.447 24.025 -4.490 63 HE ARG 13 HE ARG 13 3.905 26.297 -5.301 64 HH11 ARG 13 1HH1 ARG 13 4.248 22.847 -5.614 65 HH12 ARG 13 2HH1 ARG 13 3.478 22.779 -7.164 66 HH21 ARG 13 1HH2 ARG 13 2.890 26.221 -7.343 67 HH22 ARG 13 2HH2 ARG 13 2.707 24.700 -8.147 68 H GLN 14 H GLN 14 3.148 22.475 0.097 69 HA GLN 14 HA GLN 14 4.883 20.773 1.764 70 HB2 GLN 14 1HB GLN 14 2.124 21.718 2.527 71 HB3 GLN 14 2HB GLN 14 3.329 20.960 3.559 72 HG2 GLN 14 1HG GLN 14 4.774 22.998 3.107 73 HG3 GLN 14 2HG GLN 14 3.322 23.740 2.438 74 HE21 GLN 14 1HE2 GLN 14 5.150 23.475 5.136 75 HE22 GLN 14 2HE2 GLN 14 3.966 23.854 6.336 76 H LEU 15 H LEU 15 4.818 18.767 0.988 77 HA LEU 15 HA LEU 15 2.781 17.699 -0.616 78 HB2 LEU 15 1HB LEU 15 4.710 16.528 -0.882 79 HB3 LEU 15 2HB LEU 15 5.139 16.638 0.824 80 HG LEU 15 HG LEU 15 3.467 14.878 1.315 81 HD11 LEU 15 1HD1 LEU 15 3.319 14.255 -1.595 82 HD12 LEU 15 2HD1 LEU 15 2.226 15.458 -0.913 83 HD13 LEU 15 3HD1 LEU 15 2.223 13.808 -0.288 84 HD21 LEU 15 1HD2 LEU 15 5.297 13.622 1.211 85 HD22 LEU 15 2HD2 LEU 15 5.961 14.599 -0.099 86 HD23 LEU 15 3HD2 LEU 15 4.880 13.253 -0.462 87 H SER 16 H SER 16 0.843 16.902 -0.147 88 HA SER 16 HA SER 16 0.252 16.243 2.664 89 HB2 SER 16 1HB SER 16 -0.969 18.215 1.636 90 HB3 SER 16 2HB SER 16 -1.768 17.060 0.570 91 HG SER 16 HG SER 16 -2.700 16.092 2.348 92 HA PRO 17 HA PRO 17 -0.229 12.096 1.118 93 HB2 PRO 17 1HB PRO 17 -0.982 11.002 3.487 94 HB3 PRO 17 2HB PRO 17 0.695 11.415 3.109 95 HG2 PRO 17 1HG PRO 17 -1.317 12.943 4.716 96 HG3 PRO 17 2HG PRO 17 0.400 12.655 5.054 97 HD2 PRO 17 1HD PRO 17 -0.510 14.984 4.013 98 HD3 PRO 17 2HD PRO 17 1.091 14.323 3.622 99 H GLU 18 H GLU 18 -2.658 13.366 3.410 100 HA GLU 18 HA GLU 18 -4.769 11.719 2.777 101 HB2 GLU 18 1HB GLU 18 -6.220 13.740 3.398 102 HB3 GLU 18 2HB GLU 18 -5.083 13.154 4.605 103 HG2 GLU 18 1HG GLU 18 -3.533 14.927 4.052 104 HG3 GLU 18 2HG GLU 18 -4.604 15.492 2.772 105 H LYS 19 H LYS 19 -3.802 14.728 1.175 106 HA LYS 19 HA LYS 19 -5.932 14.862 -0.652 107 HB2 LYS 19 1HB LYS 19 -3.172 16.009 -0.548 108 HB3 LYS 19 2HB LYS 19 -4.092 16.140 -2.042 109 HG2 LYS 19 1HG LYS 19 -5.025 17.120 0.649 110 HG3 LYS 19 2HG LYS 19 -4.296 18.126 -0.605 111 HD2 LYS 19 1HD LYS 19 -6.946 16.716 -0.627 112 HD3 LYS 19 2HD LYS 19 -6.604 18.429 -0.878 113 HE2 LYS 19 1HE LYS 19 -5.269 17.595 -2.942 114 HE3 LYS 19 2HE LYS 19 -6.223 16.124 -2.751 115 HZ1 LYS 19 1HZ LYS 19 -6.997 18.657 -3.814 116 HZ2 LYS 19 2HZ LYS 19 -8.047 18.154 -2.587 117 HZ3 LYS 19 3HZ LYS 19 -7.776 17.160 -3.929 118 H SER 20 H SER 20 -2.711 13.398 -0.931 119 HA SER 20 HA SER 20 -2.535 12.650 -3.503 120 HB2 SER 20 1HB SER 20 -2.017 10.820 -1.146 121 HB3 SER 20 2HB SER 20 -1.378 10.592 -2.774 122 HG SER 20 HG SER 20 -0.927 13.041 -1.504 123 H GLU 21 H GLU 21 -3.175 10.858 -4.787 124 HA GLU 21 HA GLU 21 -5.694 9.604 -3.911 125 HB2 GLU 21 1HB GLU 21 -5.121 9.975 -6.812 126 HB3 GLU 21 2HB GLU 21 -6.664 9.939 -5.970 127 HG2 GLU 21 1HG GLU 21 -5.952 12.176 -4.958 128 HG3 GLU 21 2HG GLU 21 -4.717 12.200 -6.215 129 H ILE 22 H ILE 22 -5.774 7.449 -3.944 130 HA ILE 22 HA ILE 22 -3.591 6.012 -5.306 131 HB ILE 22 HB ILE 22 -5.110 5.259 -2.809 132 HG12 ILE 22 1HG1 ILE 22 -2.237 6.014 -3.357 133 HG13 ILE 22 2HG1 ILE 22 -3.390 6.854 -2.326 134 HG21 ILE 22 1HG2 ILE 22 -4.620 3.126 -3.171 135 HG22 ILE 22 2HG2 ILE 22 -3.968 3.557 -4.751 136 HG23 ILE 22 3HG2 ILE 22 -2.910 3.526 -3.341 137 HD11 ILE 22 1HD1 ILE 22 -3.216 4.242 -1.329 138 HD12 ILE 22 2HD1 ILE 22 -1.564 4.759 -1.669 139 HD13 ILE 22 3HD1 ILE 22 -2.590 5.724 -0.607 140 H TRP 23 H TRP 23 -4.392 5.295 -7.185 141 HA TRP 23 HA TRP 23 -7.095 4.157 -7.239 142 HB2 TRP 23 1HB TRP 23 -6.976 4.366 -9.656 143 HB3 TRP 23 2HB TRP 23 -6.536 5.900 -8.912 144 HD1 TRP 23 HD TRP 23 -4.949 2.923 -10.763 145 HE1 TRP 23 1HE TRP 23 -2.701 3.691 -11.752 146 HE3 TRP 23 3HE TRP 23 -4.701 7.589 -8.689 147 HZ2 TRP 23 2HZ TRP 23 -1.041 5.972 -11.664 148 HZ3 TRP 23 3HZ TRP 23 -2.749 9.001 -9.191 149 HH2 TRP 23 HH TRP 23 -0.958 8.207 -10.648 150 H GLY 24 H GLY 24 -7.409 2.185 -8.584 151 HA2 GLY 24 1HA GLY 24 -5.762 0.383 -9.588 152 HA3 GLY 24 2HA GLY 24 -5.345 0.235 -7.888 153 HA PRO 25 HA PRO 25 -9.251 -2.238 -9.163 154 HB2 PRO 25 1HB PRO 25 -8.134 -4.665 -9.643 155 HB3 PRO 25 2HB PRO 25 -8.393 -3.459 -10.909 156 HG2 PRO 25 1HG PRO 25 -5.893 -4.111 -9.396 157 HG3 PRO 25 2HG PRO 25 -6.102 -3.792 -11.128 158 HD2 PRO 25 1HD PRO 25 -5.172 -1.922 -9.404 159 HD3 PRO 25 2HD PRO 25 -6.144 -1.507 -10.831 160 H GLY 26 H GLY 26 -6.861 -2.101 -6.891 161 HA2 GLY 26 1HA GLY 26 -7.248 -4.434 -5.359 162 HA3 GLY 26 2HA GLY 26 -6.629 -2.905 -4.754 163 H LEU 27 H LEU 27 -8.814 -1.253 -5.184 164 HA LEU 27 HA LEU 27 -10.507 -2.078 -2.999 165 HB2 LEU 27 1HB LEU 27 -10.932 0.370 -4.673 166 HB3 LEU 27 2HB LEU 27 -11.325 0.109 -2.975 167 HG LEU 27 HG LEU 27 -8.482 0.230 -3.941 168 HD11 LEU 27 1HD1 LEU 27 -8.416 2.567 -3.460 169 HD12 LEU 27 2HD1 LEU 27 -10.090 2.557 -2.907 170 HD13 LEU 27 3HD1 LEU 27 -9.723 2.289 -4.611 171 HD21 LEU 27 1HD2 LEU 27 -7.958 0.637 -1.673 172 HD22 LEU 27 2HD2 LEU 27 -9.099 -0.708 -1.678 173 HD23 LEU 27 3HD2 LEU 27 -9.649 0.914 -1.254 174 H LYS 28 H LYS 28 -10.806 -3.807 -5.142 175 HA LYS 28 HA LYS 28 -13.531 -3.166 -6.065 176 HB2 LYS 28 1HB LYS 28 -11.363 -4.714 -7.492 177 HB3 LYS 28 2HB LYS 28 -13.036 -4.646 -8.029 178 HG2 LYS 28 1HG LYS 28 -11.592 -2.088 -7.583 179 HG3 LYS 28 2HG LYS 28 -11.208 -3.039 -9.019 180 HD2 LYS 28 1HD LYS 28 -13.318 -2.783 -9.914 181 HD3 LYS 28 2HD LYS 28 -14.066 -2.500 -8.341 182 HE2 LYS 28 1HE LYS 28 -14.104 -0.379 -9.198 183 HE3 LYS 28 2HE LYS 28 -12.546 -0.354 -8.375 184 HZ1 LYS 28 1HZ LYS 28 -12.453 -1.294 -11.105 185 HZ2 LYS 28 2HZ LYS 28 -11.442 -0.203 -10.301 186 HZ3 LYS 28 3HZ LYS 28 -12.917 0.324 -10.942 187 H ALA 29 H ALA 29 -14.804 -5.183 -6.617 188 HA ALA 29 HA ALA 29 -14.945 -6.843 -4.328 189 HB1 ALA 29 1HB ALA 29 -16.280 -7.832 -6.747 190 HB2 ALA 29 2HB ALA 29 -16.935 -7.482 -5.147 191 HB3 ALA 29 3HB ALA 29 -16.684 -6.173 -6.301 192 H ASP 30 H ASP 30 -14.067 -7.586 -7.705 193 HA ASP 30 HA ASP 30 -12.833 -10.082 -6.771 194 HB2 ASP 30 1HB ASP 30 -13.697 -9.178 -9.523 195 HB3 ASP 30 2HB ASP 30 -12.802 -10.665 -9.223 196 H VAL 31 H VAL 31 -10.869 -9.350 -6.010 197 HA VAL 31 HA VAL 31 -9.195 -7.635 -7.619 198 HB VAL 31 HB VAL 31 -7.549 -7.852 -5.845 199 HG11 VAL 31 1HG1 VAL 31 -9.713 -6.435 -5.641 200 HG12 VAL 31 2HG1 VAL 31 -10.156 -7.609 -4.400 201 HG13 VAL 31 3HG1 VAL 31 -8.684 -6.651 -4.226 202 HG21 VAL 31 1HG2 VAL 31 -7.488 -9.967 -5.015 203 HG22 VAL 31 2HG2 VAL 31 -8.509 -9.234 -3.779 204 HG23 VAL 31 3HG2 VAL 31 -9.239 -10.166 -5.086 205 H VAL 32 H VAL 32 -6.734 -8.468 -7.601 206 HA VAL 32 HA VAL 32 -6.606 -10.483 -9.564 207 HB VAL 32 HB VAL 32 -4.161 -10.384 -9.266 208 HG11 VAL 32 1HG1 VAL 32 -5.811 -7.927 -9.566 209 HG12 VAL 32 2HG1 VAL 32 -4.056 -7.759 -9.494 210 HG13 VAL 32 3HG1 VAL 32 -4.797 -8.758 -10.745 211 HG21 VAL 32 1HG2 VAL 32 -4.959 -9.049 -6.751 212 HG22 VAL 32 2HG2 VAL 32 -3.578 -10.090 -7.093 213 HG23 VAL 32 3HG2 VAL 32 -3.548 -8.396 -7.583 214 H LEU 33 H LEU 33 -5.850 -12.601 -9.488 215 HA LEU 33 HA LEU 33 -6.495 -14.045 -7.109 216 HB2 LEU 33 1HB LEU 33 -5.680 -14.688 -9.870 217 HB3 LEU 33 2HB LEU 33 -5.267 -15.887 -8.646 218 HG LEU 33 HG LEU 33 -8.030 -14.885 -9.328 219 HD11 LEU 33 1HD1 LEU 33 -8.353 -16.789 -10.504 220 HD12 LEU 33 2HD1 LEU 33 -7.272 -17.737 -9.484 221 HD13 LEU 33 3HD1 LEU 33 -6.606 -16.670 -10.720 222 HD21 LEU 33 1HD2 LEU 33 -8.531 -15.424 -7.220 223 HD22 LEU 33 2HD2 LEU 33 -6.976 -16.214 -6.959 224 HD23 LEU 33 3HD2 LEU 33 -8.298 -17.098 -7.722 225 HA PRO 34 HA PRO 34 -1.770 -15.021 -6.997 226 HB2 PRO 34 1HB PRO 34 -0.166 -13.664 -8.715 227 HB3 PRO 34 2HB PRO 34 -0.927 -15.205 -9.126 228 HG2 PRO 34 1HG PRO 34 -1.773 -12.424 -9.842 229 HG3 PRO 34 2HG PRO 34 -1.738 -13.879 -10.856 230 HD2 PRO 34 1HD PRO 34 -4.015 -12.946 -9.726 231 HD3 PRO 34 2HD PRO 34 -3.725 -14.675 -10.001 232 H ALA 35 H ALA 35 -0.820 -11.976 -8.352 233 HA ALA 35 HA ALA 35 -0.783 -10.781 -5.657 234 HB1 ALA 35 1HB ALA 35 1.451 -11.015 -5.868 235 HB2 ALA 35 2HB ALA 35 1.385 -11.109 -7.628 236 HB3 ALA 35 3HB ALA 35 1.297 -9.541 -6.825 237 H ARG 36 H ARG 36 -0.532 -8.351 -5.745 238 HA ARG 36 HA ARG 36 -1.990 -7.236 -8.048 239 HB2 ARG 36 1HB ARG 36 -3.251 -7.546 -5.767 240 HB3 ARG 36 2HB ARG 36 -2.354 -6.108 -5.300 241 HG2 ARG 36 1HG ARG 36 -3.291 -5.052 -7.429 242 HG3 ARG 36 2HG ARG 36 -4.415 -6.411 -7.451 243 HD2 ARG 36 1HD ARG 36 -5.491 -4.593 -6.340 244 HD3 ARG 36 2HD ARG 36 -5.077 -5.800 -5.123 245 HE ARG 36 HE ARG 36 -3.140 -3.679 -5.479 246 HH11 ARG 36 1HH1 ARG 36 -5.921 -4.829 -3.729 247 HH12 ARG 36 2HH1 ARG 36 -5.641 -3.812 -2.356 248 HH21 ARG 36 1HH2 ARG 36 -2.760 -2.334 -3.676 249 HH22 ARG 36 2HH2 ARG 36 -3.843 -2.392 -2.327 250 H TYR 37 H TYR 37 -1.541 -5.051 -8.567 251 HA TYR 37 HA TYR 37 0.657 -3.738 -7.182 252 HB2 TYR 37 1HB TYR 37 2.180 -3.747 -8.904 253 HB3 TYR 37 2HB TYR 37 1.434 -5.321 -9.153 254 HD1 TYR 37 2HD TYR 37 -0.428 -5.498 -10.886 255 HD2 TYR 37 1HD TYR 37 2.154 -2.127 -10.600 256 HE1 TYR 37 2HE TYR 37 -1.016 -4.859 -13.187 257 HE2 TYR 37 1HE TYR 37 1.571 -1.479 -12.900 258 HH TYR 37 HH TYR 37 -0.148 -3.557 -15.016 259 H PHE 38 H PHE 38 0.310 -1.619 -7.062 260 HA PHE 38 HA PHE 38 -1.387 -0.343 -9.096 261 HB2 PHE 38 1HB PHE 38 -2.390 1.037 -7.248 262 HB3 PHE 38 2HB PHE 38 -2.836 -0.666 -7.215 263 HD1 PHE 38 1HD PHE 38 -1.133 -2.153 -5.771 264 HD2 PHE 38 2HD PHE 38 -1.857 2.009 -5.249 265 HE1 PHE 38 1HE PHE 38 -0.353 -2.313 -3.443 266 HE2 PHE 38 2HE PHE 38 -1.077 1.856 -2.921 267 HZ PHE 38 HZ PHE 38 -0.322 -0.306 -2.015 268 H TYR 39 H TYR 39 -1.344 2.209 -8.421 269 HA TYR 39 HA TYR 39 1.513 2.897 -8.191 270 HB2 TYR 39 1HB TYR 39 -0.603 4.217 -9.903 271 HB3 TYR 39 2HB TYR 39 1.043 4.808 -9.707 272 HD1 TYR 39 2HD TYR 39 2.916 3.642 -10.740 273 HD2 TYR 39 1HD TYR 39 -1.074 2.252 -11.244 274 HE1 TYR 39 2HE TYR 39 3.654 2.216 -12.603 275 HE2 TYR 39 1HE TYR 39 -0.347 0.822 -13.108 276 HH TYR 39 HH TYR 39 3.065 0.558 -13.998 277 H ILE 40 H ILE 40 2.072 4.674 -6.974 278 HA ILE 40 HA ILE 40 -0.106 5.869 -5.387 279 HB ILE 40 HB ILE 40 2.754 5.343 -4.572 280 HG12 ILE 40 1HG1 ILE 40 0.163 4.234 -3.472 281 HG13 ILE 40 2HG1 ILE 40 1.223 3.375 -4.584 282 HG21 ILE 40 1HG2 ILE 40 1.821 6.131 -2.306 283 HG22 ILE 40 2HG2 ILE 40 2.241 7.348 -3.510 284 HG23 ILE 40 3HG2 ILE 40 0.554 6.898 -3.263 285 HD11 ILE 40 1HD1 ILE 40 2.039 2.501 -2.688 286 HD12 ILE 40 2HD1 ILE 40 2.974 3.996 -2.640 287 HD13 ILE 40 3HD1 ILE 40 1.490 3.854 -1.699 288 H GLN 41 H GLN 41 -0.499 7.848 -6.144 289 HA GLN 41 HA GLN 41 1.742 9.502 -7.061 290 HB2 GLN 41 1HB GLN 41 -0.007 9.345 -8.684 291 HB3 GLN 41 2HB GLN 41 -1.238 9.714 -7.483 292 HG2 GLN 41 1HG GLN 41 -1.032 11.699 -8.638 293 HG3 GLN 41 2HG GLN 41 -0.005 11.959 -7.229 294 HE21 GLN 41 1HE2 GLN 41 1.640 13.165 -7.846 295 HE22 GLN 41 2HE2 GLN 41 2.614 12.911 -9.249 296 H ALA 42 H ALA 42 2.291 11.391 -6.095 297 HA ALA 42 HA ALA 42 1.119 11.910 -3.479 298 HB1 ALA 42 1HB ALA 42 3.120 12.724 -2.880 299 HB2 ALA 42 2HB ALA 42 3.699 11.931 -4.346 300 HB3 ALA 42 3HB ALA 42 3.301 13.649 -4.371 301 H VAL 43 H VAL 43 0.452 14.017 -2.818 302 HA VAL 43 HA VAL 43 -0.065 15.979 -4.914 303 HB VAL 43 HB VAL 43 -2.253 14.750 -3.236 304 HG11 VAL 43 1HG1 VAL 43 -2.307 17.185 -5.011 305 HG12 VAL 43 2HG1 VAL 43 -3.744 16.374 -4.387 306 HG13 VAL 43 3HG1 VAL 43 -2.601 17.125 -3.273 307 HG21 VAL 43 1HG2 VAL 43 -3.265 14.251 -5.428 308 HG22 VAL 43 2HG2 VAL 43 -1.826 14.893 -6.220 309 HG23 VAL 43 3HG2 VAL 43 -1.708 13.453 -5.209 310 H ASP 44 H ASP 44 -0.483 18.081 -4.135 311 HA ASP 44 HA ASP 44 0.766 18.658 -1.623 312 HB2 ASP 44 1HB ASP 44 0.736 20.052 -3.842 313 HB3 ASP 44 2HB ASP 44 -0.765 20.703 -3.188 314 H THR 45 H THR 45 -0.504 20.632 -0.415 315 HA THR 45 HA THR 45 -2.633 19.330 0.951 316 HB THR 45 HB THR 45 -2.698 21.185 2.401 317 HG1 THR 45 1HG THR 45 -1.702 23.214 1.750 318 HG21 THR 45 1HG2 THR 45 0.048 21.808 1.961 319 HG22 THR 45 2HG2 THR 45 -0.200 20.096 1.614 320 HG23 THR 45 3HG2 THR 45 -0.660 20.753 3.184 321 H SER 46 H SER 46 -2.475 21.458 -1.751 322 HA SER 46 HA SER 46 -5.280 22.219 -1.536 323 HB2 SER 46 1HB SER 46 -3.161 22.935 -3.577 324 HB3 SER 46 2HB SER 46 -4.815 23.547 -3.595 325 HG SER 46 HG SER 46 -3.771 23.917 -1.164 326 H GLY 47 H GLY 47 -3.183 20.657 -3.968 327 HA2 GLY 47 1HA GLY 47 -4.412 18.396 -4.565 328 HA3 GLY 47 2HA GLY 47 -5.551 19.537 -5.265 329 H ASN 48 H ASN 48 -2.044 19.888 -5.203 330 HA ASN 48 HA ASN 48 -2.070 19.753 -8.144 331 HB2 ASN 48 1HB ASN 48 0.088 21.110 -6.552 332 HB3 ASN 48 2HB ASN 48 -0.392 21.387 -8.224 333 HD21 ASN 48 1HD2 ASN 48 -0.957 22.155 -4.924 334 HD22 ASN 48 2HD2 ASN 48 -2.143 23.383 -5.185 335 H LYS 49 H LYS 49 -1.282 17.897 -8.871 336 HA LYS 49 HA LYS 49 0.146 16.005 -7.453 337 HB2 LYS 49 1HB LYS 49 0.204 16.534 -10.429 338 HB3 LYS 49 2HB LYS 49 0.779 15.062 -9.658 339 HG2 LYS 49 1HG LYS 49 -1.301 14.381 -10.259 340 HG3 LYS 49 2HG LYS 49 -1.672 15.050 -8.668 341 HD2 LYS 49 1HD LYS 49 -2.746 16.873 -9.535 342 HD3 LYS 49 2HD LYS 49 -1.776 16.879 -11.010 343 HE2 LYS 49 1HE LYS 49 -3.013 15.060 -11.921 344 HE3 LYS 49 2HE LYS 49 -3.828 14.764 -10.386 345 HZ1 LYS 49 1HZ LYS 49 -4.124 17.353 -11.767 346 HZ2 LYS 49 2HZ LYS 49 -5.152 16.628 -10.637 347 HZ3 LYS 49 3HZ LYS 49 -5.075 16.027 -12.216 348 H PHE 50 H PHE 50 2.218 15.718 -6.889 349 HA PHE 50 HA PHE 50 4.068 17.853 -7.128 350 HB2 PHE 50 1HB PHE 50 4.094 15.119 -5.958 351 HB3 PHE 50 2HB PHE 50 5.654 15.859 -6.306 352 HD1 PHE 50 1HD PHE 50 2.444 17.244 -5.006 353 HD2 PHE 50 2HD PHE 50 6.597 16.584 -4.342 354 HE1 PHE 50 1HE PHE 50 2.306 18.511 -2.901 355 HE2 PHE 50 2HE PHE 50 6.464 17.849 -2.236 356 HZ PHE 50 HZ PHE 50 4.317 18.814 -1.513 357 H THR 51 H THR 51 3.903 14.636 -8.623 358 HA THR 51 HA THR 51 4.947 13.735 -10.437 359 HB THR 51 HB THR 51 5.058 15.048 -12.412 360 HG1 THR 51 1HG THR 51 4.936 17.388 -10.788 361 HG21 THR 51 1HG2 THR 51 2.932 16.664 -11.888 362 HG22 THR 51 2HG2 THR 51 2.824 15.511 -10.558 363 HG23 THR 51 3HG2 THR 51 2.814 14.938 -12.225 364 H SER 52 H SER 52 6.600 14.693 -8.178 365 HA SER 52 HA SER 52 9.152 14.923 -9.630 366 HB2 SER 52 1HB SER 52 8.455 16.255 -7.001 367 HB3 SER 52 2HB SER 52 10.024 16.321 -7.803 368 HG SER 52 HG SER 52 7.732 17.122 -9.207 369 H SER 53 H SER 53 11.015 14.431 -7.946 370 HA SER 53 HA SER 53 10.363 11.802 -6.829 371 HB2 SER 53 1HB SER 53 12.185 11.720 -8.382 372 HB3 SER 53 2HB SER 53 12.987 13.085 -7.606 373 HG SER 53 HG SER 53 13.545 11.817 -5.920 374 HA PRO 54 HA PRO 54 10.501 14.028 -2.893 375 HB2 PRO 54 1HB PRO 54 9.254 12.061 -1.498 376 HB3 PRO 54 2HB PRO 54 8.381 13.241 -2.484 377 HG2 PRO 54 1HG PRO 54 9.158 10.426 -3.144 378 HG3 PRO 54 2HG PRO 54 7.627 11.266 -3.453 379 HD2 PRO 54 1HD PRO 54 9.509 10.915 -5.368 380 HD3 PRO 54 2HD PRO 54 8.447 12.338 -5.322 381 H GLY 55 H GLY 55 11.155 10.536 -3.243 382 HA2 GLY 55 1HA GLY 55 13.797 10.643 -2.356 383 HA3 GLY 55 2HA GLY 55 12.794 10.335 -0.947 384 H GLU 56 H GLU 56 14.292 8.367 -1.088 385 HA GLU 56 HA GLU 56 13.604 6.385 -3.057 386 HB2 GLU 56 1HB GLU 56 15.101 4.912 -1.763 387 HB3 GLU 56 2HB GLU 56 15.861 6.445 -2.164 388 HG2 GLU 56 1HG GLU 56 15.221 7.235 0.138 389 HG3 GLU 56 2HG GLU 56 14.771 5.568 0.492 390 H LYS 57 H LYS 57 13.055 6.790 0.430 391 HA LYS 57 HA LYS 57 10.826 4.875 0.207 392 HB2 LYS 57 1HB LYS 57 12.644 5.266 2.592 393 HB3 LYS 57 2HB LYS 57 11.283 4.156 2.505 394 HG2 LYS 57 1HG LYS 57 13.553 3.956 0.565 395 HG3 LYS 57 2HG LYS 57 13.656 3.233 2.172 396 HD2 LYS 57 1HD LYS 57 11.332 2.695 0.348 397 HD3 LYS 57 2HD LYS 57 12.825 1.760 0.244 398 HE2 LYS 57 1HE LYS 57 11.514 2.111 2.899 399 HE3 LYS 57 2HE LYS 57 10.829 0.959 1.753 400 HZ1 LYS 57 1HZ LYS 57 13.612 0.597 1.863 401 HZ2 LYS 57 2HZ LYS 57 12.391 -0.487 2.303 402 HZ3 LYS 57 3HZ LYS 57 13.011 0.596 3.445 403 H VAL 58 H VAL 58 9.319 6.534 -0.102 404 HA VAL 58 HA VAL 58 8.884 8.263 2.247 405 HB VAL 58 HB VAL 58 7.781 9.873 0.769 406 HG11 VAL 58 1HG1 VAL 58 10.592 9.162 0.644 407 HG12 VAL 58 2HG1 VAL 58 10.058 10.043 -0.789 408 HG13 VAL 58 3HG1 VAL 58 9.833 10.744 0.814 409 HG21 VAL 58 1HG2 VAL 58 7.062 8.177 -0.923 410 HG22 VAL 58 2HG2 VAL 58 7.757 9.645 -1.611 411 HG23 VAL 58 3HG2 VAL 58 8.717 8.168 -1.533 412 H PHE 59 H PHE 59 7.544 5.954 0.054 413 HA PHE 59 HA PHE 59 5.016 6.040 1.557 414 HB2 PHE 59 1HB PHE 59 5.362 5.687 -1.425 415 HB3 PHE 59 2HB PHE 59 3.858 5.362 -0.570 416 HD1 PHE 59 1HD PHE 59 3.191 7.416 1.073 417 HD2 PHE 59 2HD PHE 59 5.476 7.694 -2.507 418 HE1 PHE 59 1HE PHE 59 2.555 9.783 0.855 419 HE2 PHE 59 2HE PHE 59 4.844 10.062 -2.730 420 HZ PHE 59 HZ PHE 59 3.382 11.109 -1.047 421 H GLN 60 H GLN 60 4.614 4.186 2.550 422 HA GLN 60 HA GLN 60 5.760 1.713 1.430 423 HB2 GLN 60 1HB GLN 60 6.918 2.203 3.463 424 HB3 GLN 60 2HB GLN 60 5.415 2.547 4.308 425 HG2 GLN 60 1HG GLN 60 5.937 0.454 5.091 426 HG3 GLN 60 2HG GLN 60 4.836 0.083 3.766 427 HE21 GLN 60 1HE2 GLN 60 6.972 -1.510 5.021 428 HE22 GLN 60 2HE2 GLN 60 8.025 -1.970 3.731 429 H VAL 61 H VAL 61 4.505 -0.146 1.459 430 HA VAL 61 HA VAL 61 1.676 0.233 2.195 431 HB VAL 61 HB VAL 61 2.759 -1.279 -0.185 432 HG11 VAL 61 1HG1 VAL 61 0.558 -1.934 -0.706 433 HG12 VAL 61 2HG1 VAL 61 0.757 -2.287 1.012 434 HG13 VAL 61 3HG1 VAL 61 -0.136 -0.853 0.502 435 HG21 VAL 61 1HG2 VAL 61 2.178 1.429 0.108 436 HG22 VAL 61 2HG2 VAL 61 2.395 0.548 -1.404 437 HG23 VAL 61 3HG2 VAL 61 0.780 0.752 -0.727 438 H LYS 62 H LYS 62 0.907 -1.196 3.603 439 HA LYS 62 HA LYS 62 2.379 -3.723 3.974 440 HB2 LYS 62 1HB LYS 62 2.591 -2.238 5.905 441 HB3 LYS 62 2HB LYS 62 0.841 -2.105 6.014 442 HG2 LYS 62 1HG LYS 62 1.219 -3.676 7.615 443 HG3 LYS 62 2HG LYS 62 0.990 -4.725 6.215 444 HD2 LYS 62 1HD LYS 62 3.206 -5.283 6.099 445 HD3 LYS 62 2HD LYS 62 3.739 -3.754 6.802 446 HE2 LYS 62 1HE LYS 62 4.181 -5.303 8.481 447 HE3 LYS 62 2HE LYS 62 2.633 -4.610 8.963 448 HZ1 LYS 62 1HZ LYS 62 3.235 -7.287 8.520 449 HZ2 LYS 62 2HZ LYS 62 2.182 -6.821 7.281 450 HZ3 LYS 62 3HZ LYS 62 1.729 -6.614 8.898 451 H VAL 63 H VAL 63 1.212 -5.619 4.269 452 HA VAL 63 HA VAL 63 -1.689 -5.437 3.782 453 HB VAL 63 HB VAL 63 0.249 -7.413 2.574 454 HG11 VAL 63 1HG1 VAL 63 -2.448 -7.818 3.297 455 HG12 VAL 63 2HG1 VAL 63 -2.402 -7.650 1.541 456 HG13 VAL 63 3HG1 VAL 63 -1.408 -8.871 2.338 457 HG21 VAL 63 1HG2 VAL 63 -0.543 -6.508 0.445 458 HG22 VAL 63 2HG2 VAL 63 -1.579 -5.372 1.308 459 HG23 VAL 63 3HG2 VAL 63 0.174 -5.247 1.448 460 H SER 64 H SER 64 -2.973 -6.699 5.020 461 HA SER 64 HA SER 64 -1.810 -8.869 6.582 462 HB2 SER 64 1HB SER 64 -3.224 -6.502 7.832 463 HB3 SER 64 2HB SER 64 -2.835 -7.997 8.683 464 HG SER 64 HG SER 64 -0.633 -7.573 8.277 465 H ALA 65 H ALA 65 -3.269 -10.449 7.170 466 HA ALA 65 HA ALA 65 -5.794 -10.393 5.743 467 HB1 ALA 65 1HB ALA 65 -4.589 -12.612 7.391 468 HB2 ALA 65 2HB ALA 65 -5.946 -12.744 6.271 469 HB3 ALA 65 3HB ALA 65 -4.331 -12.380 5.661 470 HA PRO 66 HA PRO 66 -8.275 -9.287 9.212 471 HB2 PRO 66 1HB PRO 66 -10.648 -10.301 8.368 472 HB3 PRO 66 2HB PRO 66 -9.933 -8.835 7.687 473 HG2 PRO 66 1HG PRO 66 -9.897 -11.631 6.620 474 HG3 PRO 66 2HG PRO 66 -10.165 -10.107 5.755 475 HD2 PRO 66 1HD PRO 66 -7.784 -11.395 5.731 476 HD3 PRO 66 2HD PRO 66 -7.914 -9.627 5.645 477 H GLU 67 H GLU 67 -8.926 -12.570 7.960 478 HA GLU 67 HA GLU 67 -9.617 -13.511 10.606 479 HB2 GLU 67 1HB GLU 67 -9.338 -15.049 8.019 480 HB3 GLU 67 2HB GLU 67 -10.055 -15.651 9.507 481 HG2 GLU 67 1HG GLU 67 -11.636 -13.589 9.227 482 HG3 GLU 67 2HG GLU 67 -11.130 -13.692 7.542 483 H GLU 68 H GLU 68 -7.245 -14.575 8.159 484 HA GLU 68 HA GLU 68 -5.776 -16.269 9.784 485 HB2 GLU 68 1HB GLU 68 -5.627 -15.684 7.205 486 HB3 GLU 68 2HB GLU 68 -4.334 -14.626 7.752 487 HG2 GLU 68 1HG GLU 68 -3.242 -16.570 8.812 488 HG3 GLU 68 2HG GLU 68 -4.503 -17.604 8.142 489 H GLN 69 H GLN 69 -3.999 -16.048 11.104 490 HA GLN 69 HA GLN 69 -3.768 -13.618 12.545 491 HB2 GLN 69 1HB GLN 69 -1.701 -15.795 12.632 492 HB3 GLN 69 2HB GLN 69 -2.247 -14.740 13.930 493 HG2 GLN 69 1HG GLN 69 -4.534 -15.967 13.521 494 HG3 GLN 69 2HG GLN 69 -3.486 -17.211 12.843 495 HE21 GLN 69 1HE2 GLN 69 -4.192 -18.579 14.552 496 HE22 GLN 69 2HE2 GLN 69 -3.506 -18.436 16.131 497 H PHE 70 H PHE 70 -1.151 -15.351 10.857 498 HA PHE 70 HA PHE 70 -0.012 -12.730 10.146 499 HB2 PHE 70 1HB PHE 70 2.170 -13.977 9.989 500 HB3 PHE 70 2HB PHE 70 1.486 -13.891 11.609 501 HD1 PHE 70 2HD PHE 70 2.253 -16.069 8.777 502 HD2 PHE 70 1HD PHE 70 0.634 -15.862 12.708 503 HE1 PHE 70 2HE PHE 70 2.380 -18.519 8.954 504 HE2 PHE 70 1HE PHE 70 0.759 -18.313 12.892 505 HZ PHE 70 HZ PHE 70 1.632 -19.645 11.013 506 H THR 71 H THR 71 1.192 -12.638 8.108 507 HA THR 71 HA THR 71 0.297 -14.591 6.105 508 HB THR 71 HB THR 71 -1.221 -13.003 5.489 509 HG1 THR 71 1HG THR 71 0.578 -13.173 3.858 510 HG21 THR 71 1HG2 THR 71 -1.207 -11.255 6.918 511 HG22 THR 71 2HG2 THR 71 -0.309 -10.451 5.630 512 HG23 THR 71 3HG2 THR 71 0.554 -11.189 6.979 513 H ARG 72 H ARG 72 1.732 -15.003 4.467 514 HA ARG 72 HA ARG 72 4.426 -13.949 4.858 515 HB2 ARG 72 1HB ARG 72 3.262 -16.371 3.575 516 HB3 ARG 72 2HB ARG 72 4.792 -15.773 2.948 517 HG2 ARG 72 1HG ARG 72 5.450 -17.318 4.532 518 HG3 ARG 72 2HG ARG 72 5.551 -15.792 5.413 519 HD2 ARG 72 1HD ARG 72 3.356 -16.213 6.399 520 HD3 ARG 72 2HD ARG 72 3.238 -17.727 5.504 521 HE ARG 72 HE ARG 72 4.780 -17.230 7.890 522 HH11 ARG 72 1HH1 ARG 72 4.335 -19.274 5.107 523 HH12 ARG 72 2HH1 ARG 72 5.116 -20.643 5.826 524 HH21 ARG 72 1HH2 ARG 72 5.810 -19.026 8.847 525 HH22 ARG 72 2HH2 ARG 72 5.953 -20.502 7.954 526 H VAL 73 H VAL 73 4.087 -11.863 3.969 527 HA VAL 73 HA VAL 73 3.956 -11.859 1.025 528 HB VAL 73 HB VAL 73 2.786 -9.773 2.873 529 HG11 VAL 73 1HG1 VAL 73 1.892 -8.863 0.669 530 HG12 VAL 73 2HG1 VAL 73 3.606 -8.607 1.002 531 HG13 VAL 73 3HG1 VAL 73 3.104 -9.877 -0.114 532 HG21 VAL 73 1HG2 VAL 73 1.608 -12.066 2.417 533 HG22 VAL 73 2HG2 VAL 73 0.685 -10.564 2.367 534 HG23 VAL 73 3HG2 VAL 73 1.215 -11.324 0.866 535 H GLY 74 H GLY 74 5.484 -10.693 -0.024 536 HA2 GLY 74 1HA GLY 74 7.361 -9.150 1.661 537 HA3 GLY 74 2HA GLY 74 7.883 -10.151 0.315 538 H VAL 75 H VAL 75 6.237 -7.192 1.225 539 HA VAL 75 HA VAL 75 5.833 -6.281 -1.457 540 HB VAL 75 HB VAL 75 5.841 -4.688 1.111 541 HG11 VAL 75 1HG1 VAL 75 4.861 -4.053 -1.665 542 HG12 VAL 75 2HG1 VAL 75 4.401 -3.131 -0.232 543 HG13 VAL 75 3HG1 VAL 75 6.091 -3.202 -0.733 544 HG21 VAL 75 1HG2 VAL 75 3.961 -5.774 1.595 545 HG22 VAL 75 2HG2 VAL 75 3.229 -5.008 0.185 546 HG23 VAL 75 3HG2 VAL 75 3.968 -6.603 0.038 547 H GLN 76 H GLN 76 6.980 -4.737 -2.607 548 HA GLN 76 HA GLN 76 9.437 -3.658 -1.498 549 HB2 GLN 76 1HB GLN 76 10.123 -5.842 -2.391 550 HB3 GLN 76 2HB GLN 76 9.447 -5.417 -3.958 551 HG2 GLN 76 1HG GLN 76 11.055 -3.468 -3.976 552 HG3 GLN 76 2HG GLN 76 11.832 -4.222 -2.585 553 HE21 GLN 76 1HE2 GLN 76 13.330 -5.714 -2.944 554 HE22 GLN 76 2HE2 GLN 76 13.656 -6.463 -4.466 555 H VAL 77 H VAL 77 9.187 -1.565 -1.915 556 HA VAL 77 HA VAL 77 7.763 -0.661 -4.268 557 HB VAL 77 HB VAL 77 7.950 1.555 -3.367 558 HG11 VAL 77 1HG1 VAL 77 6.769 -0.589 -2.004 559 HG12 VAL 77 2HG1 VAL 77 7.505 0.427 -0.763 560 HG13 VAL 77 3HG1 VAL 77 6.343 1.119 -1.896 561 HG21 VAL 77 1HG2 VAL 77 9.204 1.678 -1.050 562 HG22 VAL 77 2HG2 VAL 77 10.126 0.342 -1.739 563 HG23 VAL 77 3HG2 VAL 77 10.070 1.895 -2.571 564 H LEU 78 H LEU 78 8.620 0.274 -6.051 565 HA LEU 78 HA LEU 78 11.537 0.664 -6.125 566 HB2 LEU 78 1HB LEU 78 9.774 -0.885 -7.947 567 HB3 LEU 78 2HB LEU 78 11.120 0.003 -8.658 568 HG LEU 78 HG LEU 78 11.426 -2.044 -6.466 569 HD11 LEU 78 1HD1 LEU 78 10.561 -2.720 -8.885 570 HD12 LEU 78 2HD1 LEU 78 11.720 -3.700 -7.989 571 HD13 LEU 78 3HD1 LEU 78 12.283 -2.600 -9.247 572 HD21 LEU 78 1HD2 LEU 78 13.707 -1.606 -8.152 573 HD22 LEU 78 2HD2 LEU 78 13.559 -1.432 -6.403 574 HD23 LEU 78 3HD2 LEU 78 13.159 -0.078 -7.462 575 H ASP 79 H ASP 79 12.260 2.133 -7.846 576 HA ASP 79 HA ASP 79 10.341 4.323 -8.179 577 HB2 ASP 79 1HB ASP 79 12.185 5.783 -8.411 578 HB3 ASP 79 2HB ASP 79 12.640 4.671 -7.123 579 H ARG 80 H ARG 80 9.251 4.309 -10.027 580 HA ARG 80 HA ARG 80 10.529 3.240 -12.440 581 HB2 ARG 80 1HB ARG 80 7.670 3.700 -11.639 582 HB3 ARG 80 2HB ARG 80 8.107 3.497 -13.331 583 HG2 ARG 80 1HG ARG 80 9.308 1.347 -12.457 584 HG3 ARG 80 2HG ARG 80 8.195 1.527 -11.100 585 HD2 ARG 80 1HD ARG 80 6.346 1.107 -12.381 586 HD3 ARG 80 2HD ARG 80 7.094 1.725 -13.853 587 HE ARG 80 HE ARG 80 7.164 -0.973 -12.875 588 HH11 ARG 80 1HH1 ARG 80 8.799 1.396 -14.834 589 HH12 ARG 80 2HH1 ARG 80 9.606 0.218 -15.815 590 HH21 ARG 80 1HH2 ARG 80 8.222 -2.533 -14.160 591 HH22 ARG 80 2HH2 ARG 80 9.277 -2.016 -15.432 592 H LYS 81 H LYS 81 8.523 6.012 -11.442 593 HA LYS 81 HA LYS 81 9.905 7.623 -13.483 594 HB2 LYS 81 1HB LYS 81 6.969 7.495 -12.841 595 HB3 LYS 81 2HB LYS 81 7.676 8.918 -13.595 596 HG2 LYS 81 1HG LYS 81 8.630 7.146 -15.285 597 HG3 LYS 81 2HG LYS 81 7.270 6.187 -14.698 598 HD2 LYS 81 1HD LYS 81 5.904 8.362 -15.151 599 HD3 LYS 81 2HD LYS 81 7.264 8.775 -16.198 600 HE2 LYS 81 1HE LYS 81 5.926 7.683 -17.696 601 HE3 LYS 81 2HE LYS 81 6.877 6.327 -17.092 602 HZ1 LYS 81 1HZ LYS 81 4.198 6.388 -17.167 603 HZ2 LYS 81 2HZ LYS 81 4.482 6.891 -15.578 604 HZ3 LYS 81 3HZ LYS 81 5.098 5.412 -16.119 605 H ASP 82 H ASP 82 9.522 10.045 -13.037 606 HA ASP 82 HA ASP 82 10.283 10.516 -10.271 607 HB2 ASP 82 1HB ASP 82 10.217 12.362 -12.667 608 HB3 ASP 82 2HB ASP 82 10.803 12.814 -11.069 609 H GLY 83 H GLY 83 7.591 9.764 -10.618 610 HA2 GLY 83 1HA GLY 83 6.309 11.980 -9.297 611 HA3 GLY 83 2HA GLY 83 5.656 11.655 -10.896 612 H SER 84 H SER 84 5.919 8.833 -10.860 613 HA SER 84 HA SER 84 3.956 8.138 -8.773 614 HB2 SER 84 1HB SER 84 3.185 8.216 -11.240 615 HB3 SER 84 2HB SER 84 4.127 6.737 -11.434 616 HG SER 84 HG SER 84 2.823 5.727 -9.945 617 H PHE 85 H PHE 85 3.938 5.860 -8.127 618 HA PHE 85 HA PHE 85 6.560 4.560 -8.444 619 HB2 PHE 85 1HB PHE 85 4.980 4.972 -5.904 620 HB3 PHE 85 2HB PHE 85 6.281 3.793 -6.039 621 HD1 PHE 85 1HD PHE 85 8.502 4.859 -7.140 622 HD2 PHE 85 2HD PHE 85 5.524 6.981 -4.963 623 HE1 PHE 85 1HE PHE 85 10.145 6.611 -6.607 624 HE2 PHE 85 2HE PHE 85 7.162 8.737 -4.426 625 HZ PHE 85 HZ PHE 85 9.476 8.554 -5.249 626 H ILE 86 H ILE 86 6.495 2.219 -7.797 627 HA ILE 86 HA ILE 86 3.869 1.013 -8.354 628 HB ILE 86 HB ILE 86 5.415 0.997 -10.363 629 HG12 ILE 86 1HG1 ILE 86 4.827 -1.814 -9.502 630 HG13 ILE 86 2HG1 ILE 86 3.501 -0.677 -9.724 631 HG21 ILE 86 1HG2 ILE 86 7.295 -0.419 -10.419 632 HG22 ILE 86 2HG2 ILE 86 7.446 0.501 -8.923 633 HG23 ILE 86 3HG2 ILE 86 6.877 -1.167 -8.877 634 HD11 ILE 86 1HD1 ILE 86 3.991 -0.411 -12.014 635 HD12 ILE 86 2HD1 ILE 86 5.549 -1.222 -11.849 636 HD13 ILE 86 3HD1 ILE 86 4.053 -2.143 -11.689 637 H VAL 87 H VAL 87 3.284 -0.500 -6.940 638 HA VAL 87 HA VAL 87 5.320 -1.524 -5.082 639 HB VAL 87 HB VAL 87 2.320 -1.376 -4.763 640 HG11 VAL 87 1HG1 VAL 87 3.000 -1.963 -2.336 641 HG12 VAL 87 2HG1 VAL 87 2.900 -3.256 -3.533 642 HG13 VAL 87 3HG1 VAL 87 4.470 -2.595 -3.076 643 HG21 VAL 87 1HG2 VAL 87 2.595 0.607 -3.785 644 HG22 VAL 87 2HG2 VAL 87 3.939 0.017 -2.806 645 HG23 VAL 87 3HG2 VAL 87 4.232 0.607 -4.442 646 H ARG 88 H ARG 88 5.794 -3.634 -5.009 647 HA ARG 88 HA ARG 88 3.986 -5.531 -6.342 648 HB2 ARG 88 1HB ARG 88 6.183 -6.723 -7.045 649 HB3 ARG 88 2HB ARG 88 5.620 -5.346 -7.982 650 HG2 ARG 88 1HG ARG 88 7.165 -3.933 -6.537 651 HG3 ARG 88 2HG ARG 88 7.871 -5.460 -6.005 652 HD2 ARG 88 1HD ARG 88 9.217 -4.738 -7.794 653 HD3 ARG 88 2HD ARG 88 8.186 -6.001 -8.464 654 HE ARG 88 HE ARG 88 7.096 -3.373 -8.798 655 HH11 ARG 88 1HH1 ARG 88 9.313 -5.714 -10.111 656 HH12 ARG 88 2HH1 ARG 88 9.230 -5.083 -11.722 657 HH21 ARG 88 1HH2 ARG 88 6.979 -2.532 -10.915 658 HH22 ARG 88 2HH2 ARG 88 7.903 -3.272 -12.178 659 H TYR 89 H TYR 89 3.561 -7.308 -5.190 660 HA TYR 89 HA TYR 89 5.442 -8.237 -3.169 661 HB2 TYR 89 1HB TYR 89 3.969 -8.107 -1.340 662 HB3 TYR 89 2HB TYR 89 3.798 -6.550 -2.143 663 HD1 TYR 89 2HD TYR 89 2.235 -9.934 -2.003 664 HD2 TYR 89 1HD TYR 89 1.678 -5.771 -2.683 665 HE1 TYR 89 2HE TYR 89 -0.193 -10.291 -2.163 666 HE2 TYR 89 1HE TYR 89 -0.752 -6.116 -2.845 667 HH TYR 89 HH TYR 89 -2.431 -7.772 -2.061 668 H ARG 90 H ARG 90 5.250 -10.408 -2.680 669 HA ARG 90 HA ARG 90 3.280 -11.898 -4.289 670 HB2 ARG 90 1HB ARG 90 4.896 -13.683 -4.509 671 HB3 ARG 90 2HB ARG 90 5.622 -12.175 -5.050 672 HG2 ARG 90 1HG ARG 90 6.671 -11.987 -2.773 673 HG3 ARG 90 2HG ARG 90 6.115 -13.635 -2.471 674 HD2 ARG 90 1HD ARG 90 8.288 -13.943 -3.229 675 HD3 ARG 90 2HD ARG 90 7.318 -14.207 -4.678 676 HE ARG 90 HE ARG 90 7.912 -11.580 -4.825 677 HH11 ARG 90 1HH1 ARG 90 9.853 -14.427 -4.324 678 HH12 ARG 90 2HH1 ARG 90 11.260 -13.759 -5.082 679 HH21 ARG 90 1HH2 ARG 90 9.759 -10.690 -5.825 680 HH22 ARG 90 2HH2 ARG 90 11.206 -11.634 -5.935 681 H MET 91 H MET 91 1.933 -13.221 -3.244 682 HA MET 91 HA MET 91 2.439 -13.716 -0.388 683 HB2 MET 91 1HB MET 91 0.363 -12.423 -1.119 684 HB3 MET 91 2HB MET 91 -0.226 -13.943 -1.779 685 HG2 MET 91 1HG MET 91 -0.569 -14.868 0.279 686 HG3 MET 91 2HG MET 91 0.680 -13.891 1.048 687 HE1 MET 91 1HE MET 91 -1.722 -14.681 2.264 688 HE2 MET 91 2HE MET 91 -2.412 -13.246 3.023 689 HE3 MET 91 3HE MET 91 -3.252 -14.025 1.681 690 H TYR 92 H TYR 92 1.117 -15.244 -3.314 691 HA TYR 92 HA TYR 92 0.964 -17.418 -3.965 692 HB2 TYR 92 1HB TYR 92 3.438 -17.408 -2.275 693 HB3 TYR 92 2HB TYR 92 2.822 -18.932 -2.904 694 HD1 TYR 92 2HD TYR 92 2.317 -18.945 -5.488 695 HD2 TYR 92 1HD TYR 92 4.925 -16.189 -3.562 696 HE1 TYR 92 2HE TYR 92 3.441 -18.518 -7.634 697 HE2 TYR 92 1HE TYR 92 6.056 -15.754 -5.703 698 HH TYR 92 HH TYR 92 4.864 -17.114 -8.719 699 H ALA 93 H ALA 93 -0.817 -16.699 -1.985 700 HA ALA 93 HA ALA 93 -1.299 -19.282 -0.743 701 HB1 ALA 93 1HB ALA 93 -1.431 -16.856 1.016 702 HB2 ALA 93 2HB ALA 93 -1.419 -18.559 1.474 703 HB3 ALA 93 3HB ALA 93 0.050 -17.802 0.858 704 H SER 94 H SER 94 -3.353 -19.793 -1.082 705 HA SER 94 HA SER 94 -5.220 -18.143 -2.299 706 HB2 SER 94 1HB SER 94 -5.289 -20.665 -2.148 707 HB3 SER 94 2HB SER 94 -5.911 -20.480 -0.508 708 HG SER 94 HG SER 94 -7.482 -18.983 -1.771 709 H TYR 95 H TYR 95 -6.099 -16.344 -1.540 710 HA TYR 95 HA TYR 95 -6.941 -16.275 1.283 711 HB2 TYR 95 1HB TYR 95 -6.435 -13.864 1.302 712 HB3 TYR 95 2HB TYR 95 -4.999 -14.826 0.967 713 HD1 TYR 95 1HD TYR 95 -7.698 -12.933 -0.781 714 HD2 TYR 95 2HD TYR 95 -3.662 -14.280 -0.851 715 HE1 TYR 95 1HE TYR 95 -7.299 -11.614 -2.818 716 HE2 TYR 95 2HE TYR 95 -3.252 -12.963 -2.887 717 HH TYR 95 HH TYR 95 -5.030 -10.537 -3.899 718 H LYS 96 H LYS 96 -8.896 -15.295 1.749 719 HA LYS 96 HA LYS 96 -10.688 -14.990 -0.542 720 HB2 LYS 96 1HB LYS 96 -11.105 -15.508 2.384 721 HB3 LYS 96 2HB LYS 96 -12.428 -14.905 1.394 722 HG2 LYS 96 1HG LYS 96 -12.712 -17.215 1.398 723 HG3 LYS 96 2HG LYS 96 -11.936 -16.878 -0.151 724 HD2 LYS 96 1HD LYS 96 -9.750 -17.445 0.886 725 HD3 LYS 96 2HD LYS 96 -10.610 -17.907 2.357 726 HE2 LYS 96 1HE LYS 96 -10.125 -19.874 1.033 727 HE3 LYS 96 2HE LYS 96 -11.864 -19.587 1.065 728 HZ1 LYS 96 1HZ LYS 96 -11.699 -18.575 -1.124 729 HZ2 LYS 96 2HZ LYS 96 -11.112 -20.160 -1.152 730 HZ3 LYS 96 3HZ LYS 96 -10.032 -18.858 -1.156 731 H ASN 97 H ASN 97 -9.782 -13.285 2.443 732 HA ASN 97 HA ASN 97 -10.582 -10.772 1.142 733 HB2 ASN 97 1HB ASN 97 -12.334 -11.245 2.715 734 HB3 ASN 97 2HB ASN 97 -11.170 -11.632 3.979 735 HD21 ASN 97 1HD2 ASN 97 -13.118 -9.843 4.498 736 HD22 ASN 97 2HD2 ASN 97 -12.462 -8.249 4.608 737 H LEU 98 H LEU 98 -9.070 -9.233 1.179 738 HA LEU 98 HA LEU 98 -6.836 -9.526 3.078 739 HB2 LEU 98 1HB LEU 98 -6.860 -9.036 0.151 740 HB3 LEU 98 2HB LEU 98 -5.630 -8.213 1.108 741 HG LEU 98 HG LEU 98 -6.032 -11.203 1.054 742 HD11 LEU 98 1HD1 LEU 98 -3.958 -11.220 -0.295 743 HD12 LEU 98 2HD1 LEU 98 -4.063 -9.464 -0.425 744 HD13 LEU 98 3HD1 LEU 98 -5.324 -10.478 -1.128 745 HD21 LEU 98 1HD2 LEU 98 -3.442 -10.166 1.846 746 HD22 LEU 98 2HD2 LEU 98 -4.488 -11.334 2.654 747 HD23 LEU 98 3HD2 LEU 98 -4.736 -9.606 2.905 748 H LYS 99 H LYS 99 -5.681 -7.497 3.544 749 HA LYS 99 HA LYS 99 -7.419 -5.131 3.308 750 HB2 LYS 99 1HB LYS 99 -7.728 -5.705 5.547 751 HB3 LYS 99 2HB LYS 99 -6.074 -6.274 5.732 752 HG2 LYS 99 1HG LYS 99 -5.226 -4.125 5.960 753 HG3 LYS 99 2HG LYS 99 -6.647 -3.382 5.222 754 HD2 LYS 99 1HD LYS 99 -6.355 -3.195 7.773 755 HD3 LYS 99 2HD LYS 99 -7.939 -3.657 7.144 756 HE2 LYS 99 1HE LYS 99 -7.695 -5.867 7.801 757 HE3 LYS 99 2HE LYS 99 -5.937 -5.758 7.867 758 HZ1 LYS 99 1HZ LYS 99 -6.379 -4.112 9.770 759 HZ2 LYS 99 2HZ LYS 99 -6.551 -5.766 10.078 760 HZ3 LYS 99 3HZ LYS 99 -7.921 -4.806 9.827 761 H VAL 100 H VAL 100 -6.442 -3.272 2.724 762 HA VAL 100 HA VAL 100 -3.559 -3.391 2.204 763 HB VAL 100 HB VAL 100 -5.500 -1.312 1.199 764 HG11 VAL 100 1HG1 VAL 100 -2.679 -2.074 0.506 765 HG12 VAL 100 2HG1 VAL 100 -3.697 -1.148 -0.598 766 HG13 VAL 100 3HG1 VAL 100 -3.306 -0.501 0.995 767 HG21 VAL 100 1HG2 VAL 100 -4.559 -3.759 -0.286 768 HG22 VAL 100 2HG2 VAL 100 -6.129 -3.635 0.508 769 HG23 VAL 100 3HG2 VAL 100 -5.729 -2.556 -0.829 770 H GLU 101 H GLU 101 -2.161 -1.728 2.838 771 HA GLU 101 HA GLU 101 -3.207 0.305 4.660 772 HB2 GLU 101 1HB GLU 101 -1.336 -1.902 5.382 773 HB3 GLU 101 2HB GLU 101 -1.060 -0.318 6.093 774 HG2 GLU 101 1HG GLU 101 -3.326 -0.321 6.997 775 HG3 GLU 101 2HG GLU 101 -3.610 -1.906 6.279 776 H ILE 102 H ILE 102 -2.333 2.224 4.248 777 HA ILE 102 HA ILE 102 0.364 2.347 3.091 778 HB ILE 102 HB ILE 102 -1.837 4.145 2.107 779 HG12 ILE 102 1HG1 ILE 102 -1.507 2.507 0.016 780 HG13 ILE 102 2HG1 ILE 102 -1.168 1.358 1.305 781 HG21 ILE 102 1HG2 ILE 102 0.055 5.154 1.393 782 HG22 ILE 102 2HG2 ILE 102 1.007 3.673 1.479 783 HG23 ILE 102 3HG2 ILE 102 -0.061 3.956 0.104 784 HD11 ILE 102 1HD1 ILE 102 -3.320 1.652 2.246 785 HD12 ILE 102 2HD1 ILE 102 -3.654 3.040 1.210 786 HD13 ILE 102 3HD1 ILE 102 -3.537 1.425 0.511 787 H LYS 103 H LYS 103 1.422 3.249 4.765 788 HA LYS 103 HA LYS 103 0.328 5.748 5.881 789 HB2 LYS 103 1HB LYS 103 2.202 3.782 7.210 790 HB3 LYS 103 2HB LYS 103 1.582 5.262 7.929 791 HG2 LYS 103 1HG LYS 103 -0.572 4.406 8.136 792 HG3 LYS 103 2HG LYS 103 -0.273 3.119 6.965 793 HD2 LYS 103 1HD LYS 103 1.406 2.185 8.603 794 HD3 LYS 103 2HD LYS 103 0.782 3.346 9.778 795 HE2 LYS 103 1HE LYS 103 -1.460 2.379 9.518 796 HE3 LYS 103 2HE LYS 103 -0.815 1.207 8.369 797 HZ1 LYS 103 1HZ LYS 103 0.385 1.394 11.044 798 HZ2 LYS 103 2HZ LYS 103 0.273 0.061 10.008 799 HZ3 LYS 103 3HZ LYS 103 -1.090 0.584 10.863 800 H PHE 104 H PHE 104 1.912 7.369 6.517 801 HA PHE 104 HA PHE 104 4.506 7.154 5.175 802 HB2 PHE 104 1HB PHE 104 3.416 8.338 3.500 803 HB3 PHE 104 2HB PHE 104 2.375 9.188 4.637 804 HD1 PHE 104 1HD PHE 104 6.077 8.840 4.319 805 HD2 PHE 104 2HD PHE 104 2.719 11.449 4.497 806 HE1 PHE 104 1HE PHE 104 7.586 10.782 4.240 807 HE2 PHE 104 2HE PHE 104 4.222 13.395 4.417 808 HZ PHE 104 HZ PHE 104 6.658 13.063 4.288 809 H GLN 105 H GLN 105 5.890 7.357 6.812 810 HA GLN 105 HA GLN 105 6.854 8.061 8.760 811 HB2 GLN 105 1HB GLN 105 5.965 10.622 7.454 812 HB3 GLN 105 2HB GLN 105 6.874 10.624 8.960 813 HG2 GLN 105 1HG GLN 105 7.801 9.353 6.394 814 HG3 GLN 105 2HG GLN 105 8.280 10.951 6.963 815 HE21 GLN 105 1HE2 GLN 105 9.594 8.182 6.541 816 HE22 GLN 105 2HE2 GLN 105 10.548 7.988 7.967 817 H GLY 106 H GLY 106 4.041 7.281 8.936 818 HA2 GLY 106 1HA GLY 106 2.743 7.070 10.889 819 HA3 GLY 106 2HA GLY 106 3.486 8.535 11.514 820 H GLN 107 H GLN 107 2.059 8.241 8.318 821 HA GLN 107 HA GLN 107 -0.368 9.595 9.154 822 HB2 GLN 107 1HB GLN 107 1.446 10.864 7.098 823 HB3 GLN 107 2HB GLN 107 -0.089 11.492 7.684 824 HG2 GLN 107 1HG GLN 107 0.872 11.794 9.903 825 HG3 GLN 107 2HG GLN 107 2.409 11.151 9.327 826 HE21 GLN 107 1HE2 GLN 107 3.827 12.498 8.423 827 HE22 GLN 107 2HE2 GLN 107 3.521 14.154 8.039 828 H HIS 108 H HIS 108 -1.967 8.591 8.149 829 HA HIS 108 HA HIS 108 -1.591 6.808 5.998 830 HB2 HIS 108 1HB HIS 108 -4.020 8.014 7.295 831 HB3 HIS 108 2HB HIS 108 -4.174 6.993 5.869 832 HD1 HIS 108 1HD HIS 108 -3.846 4.482 6.173 833 HD2 HIS 108 2HD HIS 108 -3.161 6.672 9.637 834 HE1 HIS 108 1HE HIS 108 -3.693 2.785 8.023 835 HE2 HIS 108 2HE HIS 108 -3.363 4.139 10.121 836 H VAL 109 H VAL 109 -2.298 6.938 3.831 837 HA VAL 109 HA VAL 109 -2.310 9.684 2.777 838 HB VAL 109 HB VAL 109 -1.643 7.097 1.364 839 HG11 VAL 109 1HG1 VAL 109 -0.841 9.610 0.116 840 HG12 VAL 109 2HG1 VAL 109 -1.617 8.190 -0.588 841 HG13 VAL 109 3HG1 VAL 109 -2.589 9.411 0.233 842 HG21 VAL 109 1HG2 VAL 109 0.261 7.392 2.550 843 HG22 VAL 109 2HG2 VAL 109 0.615 8.542 1.262 844 HG23 VAL 109 3HG2 VAL 109 -0.030 9.113 2.800 845 H ALA 110 H ALA 110 -4.001 6.605 2.690 846 HA ALA 110 HA ALA 110 -6.200 7.927 1.237 847 HB1 ALA 110 1HB ALA 110 -6.413 5.112 0.952 848 HB2 ALA 110 2HB ALA 110 -6.132 6.328 -0.296 849 HB3 ALA 110 3HB ALA 110 -4.765 5.583 0.533 850 H LYS 111 H LYS 111 -8.215 6.207 1.532 851 HA LYS 111 HA LYS 111 -9.188 6.678 4.094 852 HB2 LYS 111 1HB LYS 111 -9.992 4.775 1.915 853 HB3 LYS 111 2HB LYS 111 -10.821 4.755 3.466 854 HG2 LYS 111 1HG LYS 111 -10.513 7.315 1.955 855 HG3 LYS 111 2HG LYS 111 -11.783 6.165 1.528 856 HD2 LYS 111 1HD LYS 111 -11.468 6.910 4.391 857 HD3 LYS 111 2HD LYS 111 -12.184 8.096 3.296 858 HE2 LYS 111 1HE LYS 111 -13.956 6.643 2.727 859 HE3 LYS 111 2HE LYS 111 -13.146 5.251 3.445 860 HZ1 LYS 111 1HZ LYS 111 -14.799 5.887 4.960 861 HZ2 LYS 111 2HZ LYS 111 -14.423 7.532 4.833 862 HZ3 LYS 111 3HZ LYS 111 -13.358 6.480 5.621 863 H SER 112 H SER 112 -6.883 4.429 3.114 864 HA SER 112 HA SER 112 -7.128 2.107 4.360 865 HB2 SER 112 1HB SER 112 -4.980 2.321 3.609 866 HB3 SER 112 2HB SER 112 -4.837 3.986 4.172 867 HG SER 112 HG SER 112 -4.433 1.587 5.568 868 HA PRO 113 HA PRO 113 -6.146 0.594 5.698 869 HB2 PRO 113 1HB PRO 113 -7.631 -1.120 7.191 870 HB3 PRO 113 2HB PRO 113 -6.068 -0.489 7.723 871 HG2 PRO 113 1HG PRO 113 -8.826 0.414 8.460 872 HG3 PRO 113 2HG PRO 113 -7.406 0.191 9.499 873 HD2 PRO 113 1HD PRO 113 -8.194 2.625 8.610 874 HD3 PRO 113 2HD PRO 113 -6.490 2.218 8.894 875 H TYR 114 H TYR 114 -7.149 -0.732 4.190 876 HA TYR 114 HA TYR 114 -9.887 0.056 3.485 877 HB2 TYR 114 1HB TYR 114 -7.545 -0.951 1.923 878 HB3 TYR 114 2HB TYR 114 -9.166 -1.254 1.309 879 HD1 TYR 114 1HD TYR 114 -10.702 1.040 1.626 880 HD2 TYR 114 2HD TYR 114 -6.511 0.839 0.918 881 HE1 TYR 114 1HE TYR 114 -10.763 3.300 0.658 882 HE2 TYR 114 2HE TYR 114 -6.561 3.099 -0.051 883 HH TYR 114 HH TYR 114 -8.558 4.544 -1.246 884 H ILE 115 H ILE 115 -11.463 -1.275 4.046 885 HA ILE 115 HA ILE 115 -10.856 -4.116 4.468 886 HB ILE 115 HB ILE 115 -13.421 -2.767 5.265 887 HG12 ILE 115 1HG1 ILE 115 -11.574 -1.464 6.232 888 HG13 ILE 115 2HG1 ILE 115 -12.449 -2.351 7.476 889 HG21 ILE 115 1HG2 ILE 115 -13.192 -5.268 5.243 890 HG22 ILE 115 2HG2 ILE 115 -11.979 -5.096 6.510 891 HG23 ILE 115 3HG2 ILE 115 -13.637 -4.570 6.800 892 HD11 ILE 115 1HD1 ILE 115 -10.672 -3.620 8.000 893 HD12 ILE 115 2HD1 ILE 115 -10.113 -3.723 6.330 894 HD13 ILE 115 3HD1 ILE 115 -9.776 -2.280 7.285 895 H LEU 116 H LEU 116 -11.327 -5.441 2.853 896 HA LEU 116 HA LEU 116 -13.710 -4.875 1.216 897 HB2 LEU 116 1HB LEU 116 -11.287 -6.324 0.199 898 HB3 LEU 116 2HB LEU 116 -12.620 -5.636 -0.725 899 HG LEU 116 HG LEU 116 -11.777 -3.362 0.076 900 HD11 LEU 116 1HD1 LEU 116 -9.705 -5.166 1.153 901 HD12 LEU 116 2HD1 LEU 116 -10.248 -3.588 1.722 902 HD13 LEU 116 3HD1 LEU 116 -9.134 -3.698 0.360 903 HD21 LEU 116 1HD2 LEU 116 -9.901 -3.413 -1.640 904 HD22 LEU 116 2HD2 LEU 116 -11.501 -3.906 -2.195 905 HD23 LEU 116 3HD2 LEU 116 -10.276 -5.125 -1.840 906 H LYS 117 H LYS 117 -15.222 -6.297 1.773 907 HA LYS 117 HA LYS 117 -14.526 -9.140 1.781 908 HB2 LYS 117 1HB LYS 117 -15.738 -9.576 3.820 909 HB3 LYS 117 2HB LYS 117 -14.513 -8.355 4.139 910 HG2 LYS 117 1HG LYS 117 -16.155 -6.614 4.138 911 HG3 LYS 117 2HG LYS 117 -17.409 -7.736 3.602 912 HD2 LYS 117 1HD LYS 117 -17.852 -7.705 5.844 913 HD3 LYS 117 2HD LYS 117 -16.686 -9.030 5.792 914 HE2 LYS 117 1HE LYS 117 -16.009 -7.648 7.579 915 HE3 LYS 117 2HE LYS 117 -14.901 -7.296 6.255 916 HZ1 LYS 117 1HZ LYS 117 -17.318 -5.656 6.627 917 HZ2 LYS 117 2HZ LYS 117 -15.854 -5.246 5.887 918 HZ3 LYS 117 3HZ LYS 117 -15.945 -5.361 7.572 919 H GLY 118 H GLY 118 -16.777 -10.388 2.159 920 HA2 GLY 118 1HA GLY 118 -19.193 -9.332 1.325 921 HA3 GLY 118 2HA GLY 118 -18.335 -9.772 -0.144 922 H SER 119 H SER 119 -20.794 -10.901 0.794 923 HA SER 119 HA SER 119 -19.921 -13.681 1.238 924 HB2 SER 119 1HB SER 119 -22.375 -13.838 2.228 925 HB3 SER 119 2HB SER 119 -21.026 -13.295 3.226 926 HG SER 119 HG SER 119 -22.918 -11.930 3.314 927 H GLY 120 H GLY 120 -20.010 -12.899 -1.304 928 HA2 GLY 120 1HA GLY 120 -21.020 -14.350 -3.032 929 HA3 GLY 120 2HA GLY 120 -22.574 -13.987 -2.295 930 HA PRO 121 HA PRO 121 -21.135 -10.790 -5.605 931 HB2 PRO 121 1HB PRO 121 -22.051 -11.931 -7.892 932 HB3 PRO 121 2HB PRO 121 -20.405 -12.168 -7.293 933 HG2 PRO 121 1HG PRO 121 -22.789 -13.960 -7.040 934 HG3 PRO 121 2HG PRO 121 -21.110 -14.379 -7.426 935 HD2 PRO 121 1HD PRO 121 -22.160 -14.704 -4.952 936 HD3 PRO 121 2HD PRO 121 -20.451 -14.305 -5.218 937 H SER 122 H SER 122 -22.550 -9.182 -5.925 938 HA SER 122 HA SER 122 -25.326 -9.734 -6.559 939 HB2 SER 122 1HB SER 122 -26.103 -8.230 -4.666 940 HB3 SER 122 2HB SER 122 -25.516 -9.821 -4.182 941 HG SER 122 HG SER 122 -23.669 -7.734 -4.281 942 H SER 123 H SER 123 -26.315 -8.079 -7.643 943 HA SER 123 HA SER 123 -25.103 -5.445 -7.722 944 HB2 SER 123 1HB SER 123 -23.954 -6.969 -9.464 945 HB3 SER 123 2HB SER 123 -25.478 -6.875 -10.347 946 HG SER 123 HG SER 123 -23.663 -5.228 -10.699 947 H GLY 124 H GLY 124 -26.465 -3.842 -8.615 948 HA2 GLY 124 1HA GLY 124 -28.518 -2.847 -8.893 949 HA3 GLY 124 2HA GLY 124 -28.844 -4.196 -9.970 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -14.421 28.374 -2.479 2 HA2 GLY 1 1HA GLY 1 -17.340 28.270 -2.096 3 HA3 GLY 1 2HA GLY 1 -16.267 28.018 -0.726 4 H SER 2 H SER 2 -17.666 29.893 0.010 5 HA SER 2 HA SER 2 -16.530 32.443 -0.931 6 HB2 SER 2 1HB SER 2 -19.088 31.960 -1.047 7 HB3 SER 2 2HB SER 2 -19.052 32.253 0.692 8 HG SER 2 HG SER 2 -17.853 34.268 -0.014 9 H SER 3 H SER 3 -15.041 30.911 0.829 10 HA SER 3 HA SER 3 -15.457 32.133 3.462 11 HB2 SER 3 1HB SER 3 -13.647 29.864 2.603 12 HB3 SER 3 2HB SER 3 -13.776 30.480 4.250 13 HG SER 3 HG SER 3 -16.204 30.021 3.670 14 H GLY 4 H GLY 4 -12.886 31.603 1.057 15 HA2 GLY 4 1HA GLY 4 -11.654 33.744 0.526 16 HA3 GLY 4 2HA GLY 4 -11.429 33.872 2.264 17 H SER 5 H SER 5 -10.472 32.209 -0.646 18 HA SER 5 HA SER 5 -8.311 30.881 0.850 19 HB2 SER 5 1HB SER 5 -8.172 29.302 -1.039 20 HB3 SER 5 2HB SER 5 -9.785 29.313 -0.326 21 HG SER 5 HG SER 5 -10.201 29.491 -2.436 22 H SER 6 H SER 6 -6.324 31.633 0.576 23 HA SER 6 HA SER 6 -5.348 32.536 -1.958 24 HB2 SER 6 1HB SER 6 -4.822 34.842 -1.284 25 HB3 SER 6 2HB SER 6 -6.563 34.558 -1.263 26 HG SER 6 HG SER 6 -5.188 34.080 1.104 27 H GLY 7 H GLY 7 -3.081 32.820 -1.987 28 HA2 GLY 7 1HA GLY 7 -1.495 32.739 0.379 29 HA3 GLY 7 2HA GLY 7 -1.600 31.148 -0.360 30 H GLU 8 H GLU 8 0.787 32.655 -0.035 31 HA GLU 8 HA GLU 8 1.675 34.167 -2.129 32 HB2 GLU 8 1HB GLU 8 3.925 33.308 -1.664 33 HB3 GLU 8 2HB GLU 8 3.053 33.664 -0.179 34 HG2 GLU 8 1HG GLU 8 3.294 30.913 -1.369 35 HG3 GLU 8 2HG GLU 8 4.371 31.557 -0.131 36 H THR 9 H THR 9 1.199 30.688 -2.051 37 HA THR 9 HA THR 9 1.605 29.063 -3.644 38 HB THR 9 HB THR 9 0.214 29.340 -5.598 39 HG1 THR 9 1HG THR 9 0.094 32.100 -4.885 40 HG21 THR 9 1HG2 THR 9 -1.675 29.220 -4.402 41 HG22 THR 9 2HG2 THR 9 -1.520 30.886 -3.846 42 HG23 THR 9 3HG2 THR 9 -0.682 29.590 -2.993 43 H GLY 10 H GLY 10 3.920 30.532 -3.409 44 HA2 GLY 10 1HA GLY 10 4.970 30.294 -6.116 45 HA3 GLY 10 2HA GLY 10 5.106 31.880 -5.372 46 H GLY 11 H GLY 11 6.598 28.916 -5.809 47 HA2 GLY 11 1HA GLY 11 8.985 28.930 -5.137 48 HA3 GLY 11 2HA GLY 11 8.432 29.458 -3.554 49 H GLU 12 H GLU 12 9.105 27.794 -2.302 50 HA GLU 12 HA GLU 12 9.108 25.090 -2.980 51 HB2 GLU 12 1HB GLU 12 9.038 26.521 -0.336 52 HB3 GLU 12 2HB GLU 12 9.040 24.766 -0.423 53 HG2 GLU 12 1HG GLU 12 11.188 24.666 -1.213 54 HG3 GLU 12 2HG GLU 12 11.121 26.282 -1.913 55 H ARG 13 H ARG 13 7.784 23.368 -1.923 56 HA ARG 13 HA ARG 13 4.984 24.167 -1.541 57 HB2 ARG 13 1HB ARG 13 4.202 22.360 -2.951 58 HB3 ARG 13 2HB ARG 13 5.286 23.394 -3.872 59 HG2 ARG 13 1HG ARG 13 7.082 21.793 -3.620 60 HG3 ARG 13 2HG ARG 13 6.057 20.773 -2.608 61 HD2 ARG 13 1HD ARG 13 5.919 19.771 -4.704 62 HD3 ARG 13 2HD ARG 13 4.455 20.749 -4.618 63 HE ARG 13 HE ARG 13 6.749 22.001 -5.877 64 HH11 ARG 13 1HH1 ARG 13 3.787 20.217 -6.282 65 HH12 ARG 13 2HH1 ARG 13 3.584 20.677 -7.940 66 HH21 ARG 13 1HH2 ARG 13 6.493 22.614 -8.059 67 HH22 ARG 13 2HH2 ARG 13 5.124 22.039 -8.950 68 H GLN 14 H GLN 14 3.664 22.346 -0.613 69 HA GLN 14 HA GLN 14 5.310 20.740 1.230 70 HB2 GLN 14 1HB GLN 14 2.556 21.848 1.790 71 HB3 GLN 14 2HB GLN 14 3.600 20.995 2.919 72 HG2 GLN 14 1HG GLN 14 5.258 22.942 2.418 73 HG3 GLN 14 2HG GLN 14 3.802 23.782 1.889 74 HE21 GLN 14 1HE2 GLN 14 5.772 23.154 4.467 75 HE22 GLN 14 2HE2 GLN 14 4.693 23.569 5.752 76 H LEU 15 H LEU 15 5.119 18.624 0.968 77 HA LEU 15 HA LEU 15 3.180 17.496 -0.797 78 HB2 LEU 15 1HB LEU 15 5.231 16.404 -0.812 79 HB3 LEU 15 2HB LEU 15 5.348 16.396 0.947 80 HG LEU 15 HG LEU 15 3.705 14.633 1.091 81 HD11 LEU 15 1HD1 LEU 15 3.589 14.212 -1.832 82 HD12 LEU 15 2HD1 LEU 15 2.649 15.556 -1.183 83 HD13 LEU 15 3HD1 LEU 15 2.372 13.918 -0.590 84 HD21 LEU 15 1HD2 LEU 15 6.234 14.393 -0.219 85 HD22 LEU 15 2HD2 LEU 15 5.118 13.198 -0.880 86 HD23 LEU 15 3HD2 LEU 15 5.426 13.253 0.857 87 H SER 16 H SER 16 1.257 16.614 -0.363 88 HA SER 16 HA SER 16 0.547 16.161 2.462 89 HB2 SER 16 1HB SER 16 -0.528 18.161 1.103 90 HB3 SER 16 2HB SER 16 -1.559 16.881 0.464 91 HG SER 16 HG SER 16 -2.630 17.036 2.252 92 HA PRO 17 HA PRO 17 -0.097 12.028 0.902 93 HB2 PRO 17 1HB PRO 17 -0.782 10.951 3.297 94 HB3 PRO 17 2HB PRO 17 0.890 11.303 2.846 95 HG2 PRO 17 1HG PRO 17 -0.988 12.896 4.547 96 HG3 PRO 17 2HG PRO 17 0.730 12.542 4.807 97 HD2 PRO 17 1HD PRO 17 -0.137 14.909 3.817 98 HD3 PRO 17 2HD PRO 17 1.419 14.191 3.351 99 H GLU 18 H GLU 18 -2.371 13.433 3.267 100 HA GLU 18 HA GLU 18 -4.573 11.860 2.776 101 HB2 GLU 18 1HB GLU 18 -5.925 13.910 3.423 102 HB3 GLU 18 2HB GLU 18 -4.694 13.396 4.569 103 HG2 GLU 18 1HG GLU 18 -3.219 15.130 3.252 104 HG3 GLU 18 2HG GLU 18 -4.793 15.811 2.845 105 H LYS 19 H LYS 19 -3.515 14.738 1.009 106 HA LYS 19 HA LYS 19 -5.726 14.904 -0.730 107 HB2 LYS 19 1HB LYS 19 -2.928 15.959 -0.763 108 HB3 LYS 19 2HB LYS 19 -3.895 16.071 -2.228 109 HG2 LYS 19 1HG LYS 19 -4.771 17.139 0.445 110 HG3 LYS 19 2HG LYS 19 -3.946 18.100 -0.785 111 HD2 LYS 19 1HD LYS 19 -5.802 17.421 -2.368 112 HD3 LYS 19 2HD LYS 19 -6.653 16.790 -0.956 113 HE2 LYS 19 1HE LYS 19 -7.056 18.870 -0.101 114 HE3 LYS 19 2HE LYS 19 -5.609 19.569 -0.826 115 HZ1 LYS 19 1HZ LYS 19 -7.078 20.471 -2.237 116 HZ2 LYS 19 2HZ LYS 19 -8.285 19.335 -1.902 117 HZ3 LYS 19 3HZ LYS 19 -7.049 18.959 -2.995 118 H SER 20 H SER 20 -2.528 13.403 -1.149 119 HA SER 20 HA SER 20 -2.526 12.542 -3.685 120 HB2 SER 20 1HB SER 20 -1.843 10.857 -1.265 121 HB3 SER 20 2HB SER 20 -1.374 10.466 -2.919 122 HG SER 20 HG SER 20 -0.624 12.765 -1.434 123 H GLU 21 H GLU 21 -3.521 11.069 -4.978 124 HA GLU 21 HA GLU 21 -5.800 9.615 -3.804 125 HB2 GLU 21 1HB GLU 21 -5.552 10.621 -6.643 126 HB3 GLU 21 2HB GLU 21 -6.959 9.856 -5.918 127 HG2 GLU 21 1HG GLU 21 -5.880 12.350 -4.703 128 HG3 GLU 21 2HG GLU 21 -6.831 12.450 -6.184 129 H ILE 22 H ILE 22 -5.512 7.497 -3.753 130 HA ILE 22 HA ILE 22 -3.598 6.253 -5.578 131 HB ILE 22 HB ILE 22 -5.021 5.075 -3.187 132 HG12 ILE 22 1HG1 ILE 22 -2.112 5.847 -3.402 133 HG13 ILE 22 2HG1 ILE 22 -3.336 6.951 -2.785 134 HG21 ILE 22 1HG2 ILE 22 -4.242 3.089 -3.800 135 HG22 ILE 22 2HG2 ILE 22 -3.710 3.807 -5.320 136 HG23 ILE 22 3HG2 ILE 22 -2.606 3.732 -3.946 137 HD11 ILE 22 1HD1 ILE 22 -3.873 4.890 -1.219 138 HD12 ILE 22 2HD1 ILE 22 -2.184 4.516 -1.563 139 HD13 ILE 22 3HD1 ILE 22 -2.614 6.062 -0.832 140 H TRP 23 H TRP 23 -4.299 5.366 -7.394 141 HA TRP 23 HA TRP 23 -7.041 4.288 -7.470 142 HB2 TRP 23 1HB TRP 23 -7.221 4.916 -9.747 143 HB3 TRP 23 2HB TRP 23 -6.510 6.307 -8.932 144 HD1 TRP 23 HD TRP 23 -5.484 3.377 -11.227 145 HE1 TRP 23 1HE TRP 23 -3.368 4.073 -12.517 146 HE3 TRP 23 3HE TRP 23 -4.587 7.868 -8.954 147 HZ2 TRP 23 2HZ TRP 23 -1.558 6.238 -12.564 148 HZ3 TRP 23 3HZ TRP 23 -2.643 9.190 -9.680 149 HH2 TRP 23 HH TRP 23 -1.160 8.390 -11.447 150 H GLY 24 H GLY 24 -7.238 2.638 -9.380 151 HA2 GLY 24 1HA GLY 24 -5.865 0.979 -10.643 152 HA3 GLY 24 2HA GLY 24 -4.945 0.785 -9.158 153 HA PRO 25 HA PRO 25 -9.013 -1.836 -9.374 154 HB2 PRO 25 1HB PRO 25 -8.324 -3.913 -10.981 155 HB3 PRO 25 2HB PRO 25 -9.126 -2.457 -11.584 156 HG2 PRO 25 1HG PRO 25 -6.225 -3.192 -11.660 157 HG3 PRO 25 2HG PRO 25 -7.227 -2.461 -12.927 158 HD2 PRO 25 1HD PRO 25 -5.539 -1.010 -11.385 159 HD3 PRO 25 2HD PRO 25 -7.063 -0.351 -12.013 160 H GLY 26 H GLY 26 -5.811 -2.041 -8.566 161 HA2 GLY 26 1HA GLY 26 -5.325 -4.654 -7.807 162 HA3 GLY 26 2HA GLY 26 -4.693 -3.248 -6.964 163 H LEU 27 H LEU 27 -7.323 -2.249 -6.212 164 HA LEU 27 HA LEU 27 -7.683 -3.887 -3.855 165 HB2 LEU 27 1HB LEU 27 -8.999 -1.321 -4.729 166 HB3 LEU 27 2HB LEU 27 -9.269 -2.109 -3.176 167 HG LEU 27 HG LEU 27 -6.600 -1.839 -3.077 168 HD11 LEU 27 1HD1 LEU 27 -5.880 0.230 -4.013 169 HD12 LEU 27 2HD1 LEU 27 -7.508 0.611 -4.573 170 HD13 LEU 27 3HD1 LEU 27 -6.610 -0.715 -5.311 171 HD21 LEU 27 1HD2 LEU 27 -8.513 0.389 -2.397 172 HD22 LEU 27 2HD2 LEU 27 -6.965 0.034 -1.629 173 HD23 LEU 27 3HD2 LEU 27 -8.319 -1.081 -1.442 174 H LYS 28 H LYS 28 -9.617 -2.866 -6.643 175 HA LYS 28 HA LYS 28 -12.075 -3.883 -6.037 176 HB2 LYS 28 1HB LYS 28 -10.578 -3.808 -8.647 177 HB3 LYS 28 2HB LYS 28 -12.224 -4.421 -8.552 178 HG2 LYS 28 1HG LYS 28 -12.001 -2.021 -9.235 179 HG3 LYS 28 2HG LYS 28 -13.065 -2.320 -7.858 180 HD2 LYS 28 1HD LYS 28 -11.250 -1.688 -6.332 181 HD3 LYS 28 2HD LYS 28 -10.202 -1.371 -7.716 182 HE2 LYS 28 1HE LYS 28 -10.965 0.744 -7.287 183 HE3 LYS 28 2HE LYS 28 -12.184 0.199 -8.438 184 HZ1 LYS 28 1HZ LYS 28 -12.857 -0.481 -5.746 185 HZ2 LYS 28 2HZ LYS 28 -13.766 0.352 -6.904 186 HZ3 LYS 28 3HZ LYS 28 -12.656 1.188 -5.939 187 H ALA 29 H ALA 29 -13.158 -5.878 -6.679 188 HA ALA 29 HA ALA 29 -11.479 -8.193 -6.093 189 HB1 ALA 29 1HB ALA 29 -14.327 -7.527 -5.766 190 HB2 ALA 29 2HB ALA 29 -13.980 -9.202 -6.199 191 HB3 ALA 29 3HB ALA 29 -13.260 -8.499 -4.750 192 H ASP 30 H ASP 30 -12.347 -10.285 -7.246 193 HA ASP 30 HA ASP 30 -12.045 -11.435 -9.217 194 HB2 ASP 30 1HB ASP 30 -14.550 -10.672 -8.978 195 HB3 ASP 30 2HB ASP 30 -14.169 -9.675 -10.379 196 H VAL 31 H VAL 31 -10.028 -9.735 -9.187 197 HA VAL 31 HA VAL 31 -10.027 -8.431 -11.830 198 HB VAL 31 HB VAL 31 -8.090 -7.104 -10.969 199 HG11 VAL 31 1HG1 VAL 31 -10.710 -6.588 -10.781 200 HG12 VAL 31 2HG1 VAL 31 -10.279 -6.519 -9.071 201 HG13 VAL 31 3HG1 VAL 31 -9.467 -5.466 -10.230 202 HG21 VAL 31 1HG2 VAL 31 -7.901 -6.989 -8.456 203 HG22 VAL 31 2HG2 VAL 31 -8.841 -8.480 -8.399 204 HG23 VAL 31 3HG2 VAL 31 -7.271 -8.457 -9.202 205 H VAL 32 H VAL 32 -7.982 -10.256 -9.563 206 HA VAL 32 HA VAL 32 -6.758 -11.629 -11.827 207 HB VAL 32 HB VAL 32 -4.480 -11.291 -10.979 208 HG11 VAL 32 1HG1 VAL 32 -6.009 -8.768 -11.599 209 HG12 VAL 32 2HG1 VAL 32 -4.249 -8.897 -11.617 210 HG13 VAL 32 3HG1 VAL 32 -5.216 -9.845 -12.749 211 HG21 VAL 32 1HG2 VAL 32 -5.275 -9.016 -9.270 212 HG22 VAL 32 2HG2 VAL 32 -5.583 -10.628 -8.625 213 HG23 VAL 32 3HG2 VAL 32 -3.947 -10.163 -9.089 214 H LEU 33 H LEU 33 -5.971 -13.669 -11.342 215 HA LEU 33 HA LEU 33 -7.103 -14.930 -9.051 216 HB2 LEU 33 1HB LEU 33 -5.555 -15.757 -11.424 217 HB3 LEU 33 2HB LEU 33 -5.414 -16.798 -10.009 218 HG LEU 33 HG LEU 33 -8.032 -16.044 -11.303 219 HD11 LEU 33 1HD1 LEU 33 -7.329 -17.408 -12.943 220 HD12 LEU 33 2HD1 LEU 33 -7.714 -18.685 -11.790 221 HD13 LEU 33 3HD1 LEU 33 -6.053 -18.116 -11.953 222 HD21 LEU 33 1HD2 LEU 33 -7.750 -18.462 -9.648 223 HD22 LEU 33 2HD2 LEU 33 -9.064 -17.288 -9.734 224 HD23 LEU 33 3HD2 LEU 33 -7.621 -16.929 -8.784 225 HA PRO 34 HA PRO 34 -2.518 -15.476 -7.642 226 HB2 PRO 34 1HB PRO 34 -0.612 -14.130 -9.030 227 HB3 PRO 34 2HB PRO 34 -1.138 -15.762 -9.457 228 HG2 PRO 34 1HG PRO 34 -1.946 -13.139 -10.651 229 HG3 PRO 34 2HG PRO 34 -1.553 -14.665 -11.464 230 HD2 PRO 34 1HD PRO 34 -4.102 -13.847 -11.053 231 HD3 PRO 34 2HD PRO 34 -3.639 -15.561 -11.064 232 H ALA 35 H ALA 35 -1.452 -12.481 -9.025 233 HA ALA 35 HA ALA 35 -2.516 -10.870 -6.856 234 HB1 ALA 35 1HB ALA 35 0.463 -11.178 -7.210 235 HB2 ALA 35 2HB ALA 35 -0.355 -10.122 -6.057 236 HB3 ALA 35 3HB ALA 35 -0.486 -11.873 -5.895 237 H ARG 36 H ARG 36 -1.877 -8.552 -7.098 238 HA ARG 36 HA ARG 36 -1.060 -7.807 -9.802 239 HB2 ARG 36 1HB ARG 36 -3.471 -7.938 -9.976 240 HB3 ARG 36 2HB ARG 36 -3.665 -6.964 -8.524 241 HG2 ARG 36 1HG ARG 36 -2.899 -5.015 -9.610 242 HG3 ARG 36 2HG ARG 36 -2.298 -5.935 -10.992 243 HD2 ARG 36 1HD ARG 36 -4.812 -6.672 -11.182 244 HD3 ARG 36 2HD ARG 36 -5.093 -5.190 -10.269 245 HE ARG 36 HE ARG 36 -4.526 -3.966 -12.129 246 HH11 ARG 36 1HH1 ARG 36 -3.649 -7.300 -12.610 247 HH12 ARG 36 2HH1 ARG 36 -3.289 -7.099 -14.293 248 HH21 ARG 36 1HH2 ARG 36 -4.055 -3.688 -14.344 249 HH22 ARG 36 2HH2 ARG 36 -3.519 -5.043 -15.278 250 H TYR 37 H TYR 37 -0.783 -5.392 -9.983 251 HA TYR 37 HA TYR 37 0.063 -4.249 -7.402 252 HB2 TYR 37 1HB TYR 37 1.984 -3.239 -8.509 253 HB3 TYR 37 2HB TYR 37 2.010 -4.984 -8.732 254 HD1 TYR 37 2HD TYR 37 0.817 -5.806 -10.962 255 HD2 TYR 37 1HD TYR 37 2.396 -1.904 -10.346 256 HE1 TYR 37 2HE TYR 37 0.985 -5.496 -13.396 257 HE2 TYR 37 1HE TYR 37 2.568 -1.583 -12.778 258 HH TYR 37 HH TYR 37 1.565 -2.468 -14.827 259 H PHE 38 H PHE 38 0.143 -1.895 -7.348 260 HA PHE 38 HA PHE 38 -1.615 -0.609 -9.323 261 HB2 PHE 38 1HB PHE 38 -2.621 0.702 -7.430 262 HB3 PHE 38 2HB PHE 38 -3.021 -1.013 -7.421 263 HD1 PHE 38 1HD PHE 38 -1.549 -2.530 -5.935 264 HD2 PHE 38 2HD PHE 38 -1.782 1.700 -5.524 265 HE1 PHE 38 1HE PHE 38 -0.722 -2.712 -3.625 266 HE2 PHE 38 2HE PHE 38 -0.955 1.525 -3.214 267 HZ PHE 38 HZ PHE 38 -0.423 -0.683 -2.261 268 H TYR 39 H TYR 39 -1.618 1.929 -8.556 269 HA TYR 39 HA TYR 39 1.223 2.678 -8.323 270 HB2 TYR 39 1HB TYR 39 -0.872 4.035 -10.033 271 HB3 TYR 39 2HB TYR 39 0.812 4.523 -9.879 272 HD1 TYR 39 2HD TYR 39 1.894 1.615 -9.887 273 HD2 TYR 39 1HD TYR 39 -0.806 3.720 -12.413 274 HE1 TYR 39 2HE TYR 39 2.497 0.134 -11.755 275 HE2 TYR 39 1HE TYR 39 -0.211 2.244 -14.289 276 HH TYR 39 HH TYR 39 2.414 -0.043 -14.066 277 H ILE 40 H ILE 40 1.572 4.905 -7.544 278 HA ILE 40 HA ILE 40 -0.618 5.929 -5.880 279 HB ILE 40 HB ILE 40 2.208 5.494 -4.906 280 HG12 ILE 40 1HG1 ILE 40 -0.215 4.316 -3.613 281 HG13 ILE 40 2HG1 ILE 40 0.407 3.559 -5.076 282 HG21 ILE 40 1HG2 ILE 40 0.483 6.162 -2.790 283 HG22 ILE 40 2HG2 ILE 40 1.813 7.116 -3.445 284 HG23 ILE 40 3HG2 ILE 40 0.179 7.333 -4.073 285 HD11 ILE 40 1HD1 ILE 40 2.508 3.127 -4.040 286 HD12 ILE 40 2HD1 ILE 40 2.067 4.085 -2.626 287 HD13 ILE 40 3HD1 ILE 40 1.236 2.565 -2.956 288 H GLN 41 H GLN 41 -0.967 7.960 -6.463 289 HA GLN 41 HA GLN 41 1.237 9.544 -7.558 290 HB2 GLN 41 1HB GLN 41 -0.723 9.482 -8.951 291 HB3 GLN 41 2HB GLN 41 -1.755 9.946 -7.604 292 HG2 GLN 41 1HG GLN 41 -1.575 11.944 -8.669 293 HG3 GLN 41 2HG GLN 41 -0.202 12.064 -7.570 294 HE21 GLN 41 1HE2 GLN 41 1.416 13.022 -8.560 295 HE22 GLN 41 2HE2 GLN 41 1.943 12.725 -10.178 296 H ALA 42 H ALA 42 2.034 11.323 -6.585 297 HA ALA 42 HA ALA 42 1.148 11.861 -3.862 298 HB1 ALA 42 1HB ALA 42 3.403 13.381 -5.021 299 HB2 ALA 42 2HB ALA 42 3.238 12.622 -3.438 300 HB3 ALA 42 3HB ALA 42 3.622 11.639 -4.851 301 H VAL 43 H VAL 43 0.496 13.879 -3.114 302 HA VAL 43 HA VAL 43 0.098 16.019 -5.062 303 HB VAL 43 HB VAL 43 -2.152 14.843 -3.425 304 HG11 VAL 43 1HG1 VAL 43 -2.325 17.172 -5.321 305 HG12 VAL 43 2HG1 VAL 43 -3.548 16.591 -4.190 306 HG13 VAL 43 3HG1 VAL 43 -2.085 17.368 -3.585 307 HG21 VAL 43 1HG2 VAL 43 -1.885 13.506 -5.337 308 HG22 VAL 43 2HG2 VAL 43 -3.176 14.634 -5.753 309 HG23 VAL 43 3HG2 VAL 43 -1.543 14.897 -6.367 310 H ASP 44 H ASP 44 0.022 18.067 -4.176 311 HA ASP 44 HA ASP 44 1.025 18.274 -1.462 312 HB2 ASP 44 1HB ASP 44 1.609 20.500 -1.986 313 HB3 ASP 44 2HB ASP 44 1.906 19.597 -3.469 314 H THR 45 H THR 45 0.110 20.541 -0.445 315 HA THR 45 HA THR 45 -2.451 19.870 0.531 316 HB THR 45 HB THR 45 -2.378 21.894 1.798 317 HG1 THR 45 1HG THR 45 -0.869 23.544 1.295 318 HG21 THR 45 1HG2 THR 45 -0.724 21.138 3.090 319 HG22 THR 45 2HG2 THR 45 0.492 21.634 1.912 320 HG23 THR 45 3HG2 THR 45 -0.273 20.051 1.776 321 H SER 46 H SER 46 -1.427 21.637 -2.226 322 HA SER 46 HA SER 46 -3.859 23.157 -2.522 323 HB2 SER 46 1HB SER 46 -1.541 22.687 -4.411 324 HB3 SER 46 2HB SER 46 -2.892 23.772 -4.742 325 HG SER 46 HG SER 46 -2.229 24.716 -2.585 326 H GLY 47 H GLY 47 -2.362 20.394 -4.197 327 HA2 GLY 47 1HA GLY 47 -4.029 18.540 -4.609 328 HA3 GLY 47 2HA GLY 47 -5.013 19.792 -5.354 329 H ASN 48 H ASN 48 -1.613 20.016 -5.801 330 HA ASN 48 HA ASN 48 -1.967 19.276 -8.616 331 HB2 ASN 48 1HB ASN 48 0.350 20.744 -7.341 332 HB3 ASN 48 2HB ASN 48 0.026 20.571 -9.063 333 HD21 ASN 48 1HD2 ASN 48 -0.632 22.325 -6.208 334 HD22 ASN 48 2HD2 ASN 48 -1.714 23.483 -6.896 335 H LYS 49 H LYS 49 -0.512 17.892 -9.674 336 HA LYS 49 HA LYS 49 0.460 15.740 -8.050 337 HB2 LYS 49 1HB LYS 49 0.797 16.223 -11.016 338 HB3 LYS 49 2HB LYS 49 1.112 14.710 -10.177 339 HG2 LYS 49 1HG LYS 49 -1.093 14.200 -9.971 340 HG3 LYS 49 2HG LYS 49 -1.593 15.892 -9.903 341 HD2 LYS 49 1HD LYS 49 -0.437 14.810 -12.434 342 HD3 LYS 49 2HD LYS 49 -2.110 14.430 -12.018 343 HE2 LYS 49 1HE LYS 49 -2.784 16.634 -12.167 344 HE3 LYS 49 2HE LYS 49 -1.161 17.259 -11.879 345 HZ1 LYS 49 1HZ LYS 49 -1.210 17.595 -14.085 346 HZ2 LYS 49 2HZ LYS 49 -2.415 16.441 -14.361 347 HZ3 LYS 49 3HZ LYS 49 -0.805 15.955 -14.176 348 H PHE 50 H PHE 50 2.494 15.293 -7.420 349 HA PHE 50 HA PHE 50 4.472 17.347 -7.585 350 HB2 PHE 50 1HB PHE 50 4.250 14.680 -6.285 351 HB3 PHE 50 2HB PHE 50 5.871 15.312 -6.556 352 HD1 PHE 50 1HD PHE 50 2.579 16.288 -5.119 353 HD2 PHE 50 2HD PHE 50 6.810 16.737 -5.003 354 HE1 PHE 50 1HE PHE 50 2.374 17.666 -3.092 355 HE2 PHE 50 2HE PHE 50 6.612 18.115 -2.975 356 HZ PHE 50 HZ PHE 50 4.392 18.581 -2.016 357 H THR 51 H THR 51 4.234 14.051 -8.895 358 HA THR 51 HA THR 51 5.407 12.972 -10.529 359 HB THR 51 HB THR 51 5.846 14.345 -12.594 360 HG1 THR 51 1HG THR 51 4.615 16.500 -12.295 361 HG21 THR 51 1HG2 THR 51 3.686 13.184 -12.133 362 HG22 THR 51 2HG2 THR 51 3.520 14.616 -13.149 363 HG23 THR 51 3HG2 THR 51 3.077 14.687 -11.443 364 H SER 52 H SER 52 6.976 14.097 -8.338 365 HA SER 52 HA SER 52 9.560 14.304 -9.733 366 HB2 SER 52 1HB SER 52 8.532 15.946 -7.428 367 HB3 SER 52 2HB SER 52 10.261 15.746 -7.711 368 HG SER 52 HG SER 52 8.495 16.619 -9.739 369 H SER 53 H SER 53 11.386 13.990 -7.970 370 HA SER 53 HA SER 53 10.835 11.393 -6.770 371 HB2 SER 53 1HB SER 53 13.377 12.916 -7.336 372 HB3 SER 53 2HB SER 53 13.364 11.438 -6.373 373 HG SER 53 HG SER 53 13.351 10.403 -8.188 374 HA PRO 54 HA PRO 54 10.275 13.578 -2.876 375 HB2 PRO 54 1HB PRO 54 9.323 11.413 -1.542 376 HB3 PRO 54 2HB PRO 54 8.325 12.389 -2.627 377 HG2 PRO 54 1HG PRO 54 9.697 9.779 -3.148 378 HG3 PRO 54 2HG PRO 54 8.064 10.296 -3.607 379 HD2 PRO 54 1HD PRO 54 10.139 10.311 -5.346 380 HD3 PRO 54 2HD PRO 54 8.818 11.494 -5.426 381 H GLY 55 H GLY 55 11.571 10.250 -3.003 382 HA2 GLY 55 1HA GLY 55 14.102 10.761 -2.063 383 HA3 GLY 55 2HA GLY 55 13.117 10.584 -0.618 384 H GLU 56 H GLU 56 14.859 8.800 -0.479 385 HA GLU 56 HA GLU 56 14.854 6.522 -2.035 386 HB2 GLU 56 1HB GLU 56 16.425 7.030 -0.154 387 HB3 GLU 56 2HB GLU 56 15.154 6.571 0.971 388 HG2 GLU 56 1HG GLU 56 15.153 4.318 0.125 389 HG3 GLU 56 2HG GLU 56 16.318 4.752 -1.124 390 H LYS 57 H LYS 57 13.093 6.852 1.052 391 HA LYS 57 HA LYS 57 10.902 5.277 -0.088 392 HB2 LYS 57 1HB LYS 57 12.248 4.683 2.554 393 HB3 LYS 57 2HB LYS 57 10.766 3.925 1.984 394 HG2 LYS 57 1HG LYS 57 13.166 3.781 0.242 395 HG3 LYS 57 2HG LYS 57 13.120 2.776 1.692 396 HD2 LYS 57 1HD LYS 57 11.080 1.732 0.973 397 HD3 LYS 57 2HD LYS 57 10.938 2.845 -0.389 398 HE2 LYS 57 1HE LYS 57 11.773 0.802 -1.259 399 HE3 LYS 57 2HE LYS 57 13.127 1.930 -1.225 400 HZ1 LYS 57 1HZ LYS 57 13.314 -0.519 -0.293 401 HZ2 LYS 57 2HZ LYS 57 12.746 0.227 1.115 402 HZ3 LYS 57 3HZ LYS 57 14.177 0.766 0.392 403 H VAL 58 H VAL 58 9.206 6.590 0.048 404 HA VAL 58 HA VAL 58 8.809 8.102 2.549 405 HB VAL 58 HB VAL 58 7.573 9.783 1.235 406 HG11 VAL 58 1HG1 VAL 58 10.249 9.518 -0.068 407 HG12 VAL 58 2HG1 VAL 58 9.446 10.957 0.562 408 HG13 VAL 58 3HG1 VAL 58 10.137 9.774 1.673 409 HG21 VAL 58 1HG2 VAL 58 6.750 8.794 -0.667 410 HG22 VAL 58 2HG2 VAL 58 8.147 9.647 -1.323 411 HG23 VAL 58 3HG2 VAL 58 8.246 7.918 -0.991 412 H PHE 59 H PHE 59 7.185 6.494 -0.164 413 HA PHE 59 HA PHE 59 4.732 6.314 1.429 414 HB2 PHE 59 1HB PHE 59 5.300 5.900 -1.504 415 HB3 PHE 59 2HB PHE 59 3.769 5.437 -0.768 416 HD1 PHE 59 1HD PHE 59 2.638 7.353 0.666 417 HD2 PHE 59 2HD PHE 59 5.460 7.978 -2.458 418 HE1 PHE 59 1HE PHE 59 1.804 9.649 0.377 419 HE2 PHE 59 2HE PHE 59 4.632 10.275 -2.752 420 HZ PHE 59 HZ PHE 59 2.802 11.115 -1.333 421 H GLN 60 H GLN 60 4.625 4.583 2.697 422 HA GLN 60 HA GLN 60 5.832 2.068 1.792 423 HB2 GLN 60 1HB GLN 60 6.337 3.145 4.083 424 HB3 GLN 60 2HB GLN 60 4.739 2.574 4.546 425 HG2 GLN 60 1HG GLN 60 6.615 0.629 3.321 426 HG3 GLN 60 2HG GLN 60 6.914 1.149 4.979 427 HE21 GLN 60 1HE2 GLN 60 6.480 -1.382 4.838 428 HE22 GLN 60 2HE2 GLN 60 4.874 -1.828 5.295 429 H VAL 61 H VAL 61 4.669 0.075 2.051 430 HA VAL 61 HA VAL 61 1.755 0.329 2.263 431 HB VAL 61 HB VAL 61 3.128 -1.176 0.032 432 HG11 VAL 61 1HG1 VAL 61 0.792 -1.847 1.123 433 HG12 VAL 61 2HG1 VAL 61 0.223 -0.596 0.016 434 HG13 VAL 61 3HG1 VAL 61 1.107 -1.990 -0.606 435 HG21 VAL 61 1HG2 VAL 61 3.291 0.872 -0.879 436 HG22 VAL 61 2HG2 VAL 61 1.562 0.688 -1.173 437 HG23 VAL 61 3HG2 VAL 61 2.126 1.576 0.243 438 H LYS 62 H LYS 62 0.763 -1.350 3.258 439 HA LYS 62 HA LYS 62 2.382 -3.735 3.858 440 HB2 LYS 62 1HB LYS 62 2.304 -2.283 5.834 441 HB3 LYS 62 2HB LYS 62 0.547 -2.273 5.766 442 HG2 LYS 62 1HG LYS 62 0.972 -3.839 7.400 443 HG3 LYS 62 2HG LYS 62 0.768 -4.844 5.964 444 HD2 LYS 62 1HD LYS 62 3.137 -5.084 5.715 445 HD3 LYS 62 2HD LYS 62 3.442 -3.893 6.982 446 HE2 LYS 62 1HE LYS 62 3.780 -5.967 8.020 447 HE3 LYS 62 2HE LYS 62 2.168 -5.470 8.531 448 HZ1 LYS 62 1HZ LYS 62 2.919 -7.546 6.573 449 HZ2 LYS 62 2HZ LYS 62 1.377 -6.852 6.551 450 HZ3 LYS 62 3HZ LYS 62 1.912 -7.680 7.925 451 H VAL 63 H VAL 63 1.349 -5.679 3.762 452 HA VAL 63 HA VAL 63 -1.541 -5.649 3.195 453 HB VAL 63 HB VAL 63 0.603 -7.172 1.721 454 HG11 VAL 63 1HG1 VAL 63 -1.118 -8.767 2.161 455 HG12 VAL 63 2HG1 VAL 63 -2.378 -7.611 1.726 456 HG13 VAL 63 3HG1 VAL 63 -1.291 -8.241 0.487 457 HG21 VAL 63 1HG2 VAL 63 -1.500 -5.183 0.889 458 HG22 VAL 63 2HG2 VAL 63 0.252 -4.993 0.819 459 HG23 VAL 63 3HG2 VAL 63 -0.553 -6.139 -0.251 460 H SER 64 H SER 64 -2.632 -6.848 4.592 461 HA SER 64 HA SER 64 -1.468 -9.345 5.575 462 HB2 SER 64 1HB SER 64 -1.147 -7.283 7.179 463 HB3 SER 64 2HB SER 64 -2.845 -7.570 7.559 464 HG SER 64 HG SER 64 -0.639 -8.970 8.315 465 H ALA 65 H ALA 65 -3.031 -10.823 6.450 466 HA ALA 65 HA ALA 65 -5.718 -10.361 5.351 467 HB1 ALA 65 1HB ALA 65 -5.889 -12.900 5.610 468 HB2 ALA 65 2HB ALA 65 -4.826 -12.276 4.348 469 HB3 ALA 65 3HB ALA 65 -4.144 -12.863 5.865 470 HA PRO 66 HA PRO 66 -7.400 -10.146 9.420 471 HB2 PRO 66 1HB PRO 66 -9.979 -10.746 8.824 472 HB3 PRO 66 2HB PRO 66 -9.242 -9.186 8.439 473 HG2 PRO 66 1HG PRO 66 -9.696 -11.557 6.667 474 HG3 PRO 66 2HG PRO 66 -9.948 -9.836 6.321 475 HD2 PRO 66 1HD PRO 66 -7.761 -11.188 5.473 476 HD3 PRO 66 2HD PRO 66 -7.713 -9.465 5.897 477 H GLU 67 H GLU 67 -8.612 -12.890 7.480 478 HA GLU 67 HA GLU 67 -9.057 -14.514 9.799 479 HB2 GLU 67 1HB GLU 67 -10.163 -14.568 7.391 480 HB3 GLU 67 2HB GLU 67 -8.858 -15.701 7.069 481 HG2 GLU 67 1HG GLU 67 -9.634 -17.224 8.672 482 HG3 GLU 67 2HG GLU 67 -10.696 -16.029 9.414 483 H GLU 68 H GLU 68 -7.009 -15.198 6.962 484 HA GLU 68 HA GLU 68 -5.479 -17.206 7.873 485 HB2 GLU 68 1HB GLU 68 -4.739 -14.833 6.193 486 HB3 GLU 68 2HB GLU 68 -3.527 -16.040 6.600 487 HG2 GLU 68 1HG GLU 68 -4.776 -17.760 5.510 488 HG3 GLU 68 2HG GLU 68 -6.141 -16.674 5.256 489 H GLN 69 H GLN 69 -4.220 -17.582 9.566 490 HA GLN 69 HA GLN 69 -3.628 -15.570 11.476 491 HB2 GLN 69 1HB GLN 69 -3.961 -17.839 12.209 492 HB3 GLN 69 2HB GLN 69 -2.649 -18.412 11.187 493 HG2 GLN 69 1HG GLN 69 -1.015 -17.565 12.577 494 HG3 GLN 69 2HG GLN 69 -2.104 -16.390 13.311 495 HE21 GLN 69 1HE2 GLN 69 -0.897 -17.445 15.195 496 HE22 GLN 69 2HE2 GLN 69 -1.694 -18.781 15.944 497 H PHE 70 H PHE 70 -1.554 -17.440 9.267 498 HA PHE 70 HA PHE 70 0.507 -15.361 9.597 499 HB2 PHE 70 1HB PHE 70 2.196 -17.012 9.203 500 HB3 PHE 70 2HB PHE 70 1.107 -17.662 10.424 501 HD1 PHE 70 1HD PHE 70 -0.490 -19.441 9.838 502 HD2 PHE 70 2HD PHE 70 2.429 -18.042 7.074 503 HE1 PHE 70 1HE PHE 70 -0.827 -21.456 8.467 504 HE2 PHE 70 2HE PHE 70 2.096 -20.054 5.698 505 HZ PHE 70 HZ PHE 70 0.465 -21.764 6.393 506 H THR 71 H THR 71 1.178 -14.289 7.840 507 HA THR 71 HA THR 71 0.376 -15.314 5.196 508 HB THR 71 HB THR 71 0.376 -12.397 5.990 509 HG1 THR 71 1HG THR 71 -1.776 -12.583 6.276 510 HG21 THR 71 1HG2 THR 71 0.663 -13.404 3.508 511 HG22 THR 71 2HG2 THR 71 -0.182 -11.894 3.851 512 HG23 THR 71 3HG2 THR 71 -1.096 -13.386 3.626 513 H ARG 72 H ARG 72 1.835 -15.093 3.548 514 HA ARG 72 HA ARG 72 4.436 -13.898 4.250 515 HB2 ARG 72 1HB ARG 72 4.420 -16.408 4.112 516 HB3 ARG 72 2HB ARG 72 4.002 -16.253 2.411 517 HG2 ARG 72 1HG ARG 72 6.118 -14.862 2.179 518 HG3 ARG 72 2HG ARG 72 6.546 -15.459 3.784 519 HD2 ARG 72 1HD ARG 72 5.722 -17.403 1.678 520 HD3 ARG 72 2HD ARG 72 7.345 -16.714 1.622 521 HE ARG 72 HE ARG 72 6.625 -17.785 4.192 522 HH11 ARG 72 1HH1 ARG 72 7.952 -18.504 1.054 523 HH12 ARG 72 2HH1 ARG 72 8.829 -19.896 1.600 524 HH21 ARG 72 1HH2 ARG 72 7.775 -19.615 4.922 525 HH22 ARG 72 2HH2 ARG 72 8.727 -20.527 3.800 526 H VAL 73 H VAL 73 3.895 -11.911 3.293 527 HA VAL 73 HA VAL 73 3.628 -11.984 0.357 528 HB VAL 73 HB VAL 73 2.702 -9.818 2.250 529 HG11 VAL 73 1HG1 VAL 73 3.486 -8.973 0.069 530 HG12 VAL 73 2HG1 VAL 73 2.338 -10.044 -0.735 531 HG13 VAL 73 3HG1 VAL 73 1.753 -8.744 0.303 532 HG21 VAL 73 1HG2 VAL 73 1.317 -11.840 2.340 533 HG22 VAL 73 2HG2 VAL 73 0.449 -10.488 1.614 534 HG23 VAL 73 3HG2 VAL 73 1.103 -11.767 0.591 535 H GLY 74 H GLY 74 5.214 -11.101 -0.812 536 HA2 GLY 74 1HA GLY 74 7.353 -9.695 0.625 537 HA3 GLY 74 2HA GLY 74 7.500 -10.454 -0.953 538 H VAL 75 H VAL 75 6.113 -7.697 0.763 539 HA VAL 75 HA VAL 75 5.375 -6.297 -1.620 540 HB VAL 75 HB VAL 75 5.694 -5.321 1.221 541 HG11 VAL 75 1HG1 VAL 75 4.281 -3.897 -1.021 542 HG12 VAL 75 2HG1 VAL 75 4.662 -3.288 0.591 543 HG13 VAL 75 3HG1 VAL 75 5.955 -3.563 -0.577 544 HG21 VAL 75 1HG2 VAL 75 3.588 -6.713 -0.224 545 HG22 VAL 75 2HG2 VAL 75 3.793 -6.459 1.509 546 HG23 VAL 75 3HG2 VAL 75 3.030 -5.214 0.520 547 H GLN 76 H GLN 76 6.585 -5.042 -2.885 548 HA GLN 76 HA GLN 76 9.195 -4.132 -1.867 549 HB2 GLN 76 1HB GLN 76 9.486 -5.978 -3.460 550 HB3 GLN 76 2HB GLN 76 8.560 -5.091 -4.663 551 HG2 GLN 76 1HG GLN 76 10.270 -3.331 -4.660 552 HG3 GLN 76 2HG GLN 76 11.206 -4.263 -3.492 553 HE21 GLN 76 1HE2 GLN 76 12.794 -5.377 -4.346 554 HE22 GLN 76 2HE2 GLN 76 12.838 -6.044 -5.938 555 H VAL 77 H VAL 77 9.129 -1.999 -1.650 556 HA VAL 77 HA VAL 77 7.399 -0.399 -3.364 557 HB VAL 77 HB VAL 77 9.076 0.387 -0.977 558 HG11 VAL 77 1HG1 VAL 77 7.340 2.400 -1.220 559 HG12 VAL 77 2HG1 VAL 77 8.926 2.411 -1.994 560 HG13 VAL 77 3HG1 VAL 77 7.494 1.963 -2.921 561 HG21 VAL 77 1HG2 VAL 77 7.184 -1.066 -0.429 562 HG22 VAL 77 2HG2 VAL 77 6.940 0.567 0.189 563 HG23 VAL 77 3HG2 VAL 77 6.092 0.038 -1.264 564 H LEU 78 H LEU 78 8.248 0.078 -5.293 565 HA LEU 78 HA LEU 78 10.916 1.307 -5.345 566 HB2 LEU 78 1HB LEU 78 10.935 -1.081 -6.148 567 HB3 LEU 78 2HB LEU 78 9.904 -0.559 -7.479 568 HG LEU 78 HG LEU 78 11.741 1.025 -8.144 569 HD11 LEU 78 1HD1 LEU 78 13.271 -0.567 -6.093 570 HD12 LEU 78 2HD1 LEU 78 12.941 1.165 -6.061 571 HD13 LEU 78 3HD1 LEU 78 14.001 0.493 -7.300 572 HD21 LEU 78 1HD2 LEU 78 12.431 -0.530 -9.590 573 HD22 LEU 78 2HD2 LEU 78 11.349 -1.628 -8.733 574 HD23 LEU 78 3HD2 LEU 78 13.061 -1.567 -8.311 575 H ASP 79 H ASP 79 11.207 2.944 -6.857 576 HA ASP 79 HA ASP 79 8.713 4.011 -7.981 577 HB2 ASP 79 1HB ASP 79 9.541 5.751 -6.743 578 HB3 ASP 79 2HB ASP 79 11.214 5.235 -6.939 579 H ARG 80 H ARG 80 8.423 4.225 -10.119 580 HA ARG 80 HA ARG 80 10.507 3.199 -11.878 581 HB2 ARG 80 1HB ARG 80 7.731 4.048 -12.686 582 HB3 ARG 80 2HB ARG 80 8.816 2.948 -13.525 583 HG2 ARG 80 1HG ARG 80 7.813 2.295 -10.785 584 HG3 ARG 80 2HG ARG 80 6.818 1.988 -12.210 585 HD2 ARG 80 1HD ARG 80 9.584 0.906 -11.682 586 HD3 ARG 80 2HD ARG 80 8.073 -0.001 -11.612 587 HE ARG 80 HE ARG 80 8.341 1.166 -14.157 588 HH11 ARG 80 1HH1 ARG 80 9.732 -1.343 -12.185 589 HH12 ARG 80 2HH1 ARG 80 10.208 -2.320 -13.534 590 HH21 ARG 80 1HH2 ARG 80 8.964 -0.111 -15.941 591 HH22 ARG 80 2HH2 ARG 80 9.772 -1.618 -15.670 592 H LYS 81 H LYS 81 11.003 5.735 -10.720 593 HA LYS 81 HA LYS 81 11.332 7.970 -11.215 594 HB2 LYS 81 1HB LYS 81 12.431 6.483 -13.603 595 HB3 LYS 81 2HB LYS 81 12.749 8.185 -13.289 596 HG2 LYS 81 1HG LYS 81 13.405 6.014 -11.318 597 HG3 LYS 81 2HG LYS 81 14.533 6.566 -12.559 598 HD2 LYS 81 1HD LYS 81 13.238 8.578 -10.777 599 HD3 LYS 81 2HD LYS 81 14.570 7.606 -10.146 600 HE2 LYS 81 1HE LYS 81 16.059 8.414 -11.802 601 HE3 LYS 81 2HE LYS 81 14.746 9.130 -12.735 602 HZ1 LYS 81 1HZ LYS 81 16.278 10.517 -11.076 603 HZ2 LYS 81 2HZ LYS 81 15.046 10.079 -10.003 604 HZ3 LYS 81 3HZ LYS 81 14.674 10.936 -11.413 605 H ASP 82 H ASP 82 8.676 7.174 -11.896 606 HA ASP 82 HA ASP 82 8.201 8.839 -14.281 607 HB2 ASP 82 1HB ASP 82 7.530 6.457 -14.546 608 HB3 ASP 82 2HB ASP 82 6.419 6.650 -13.192 609 H GLY 83 H GLY 83 8.479 9.589 -11.398 610 HA2 GLY 83 1HA GLY 83 7.526 11.421 -10.291 611 HA3 GLY 83 2HA GLY 83 6.091 11.250 -11.291 612 H SER 84 H SER 84 5.591 8.505 -10.787 613 HA SER 84 HA SER 84 4.696 8.687 -7.991 614 HB2 SER 84 1HB SER 84 2.960 7.012 -8.678 615 HB3 SER 84 2HB SER 84 2.836 8.554 -9.523 616 HG SER 84 HG SER 84 3.271 7.584 -11.340 617 H PHE 85 H PHE 85 4.291 6.402 -7.032 618 HA PHE 85 HA PHE 85 6.702 4.788 -7.543 619 HB2 PHE 85 1HB PHE 85 5.293 5.554 -5.021 620 HB3 PHE 85 2HB PHE 85 6.133 4.009 -5.083 621 HD1 PHE 85 2HD PHE 85 6.829 7.506 -6.198 622 HD2 PHE 85 1HD PHE 85 8.220 4.041 -4.154 623 HE1 PHE 85 2HE PHE 85 8.954 8.648 -5.716 624 HE2 PHE 85 1HE PHE 85 10.347 5.178 -3.667 625 HZ PHE 85 HZ PHE 85 10.716 7.484 -4.449 626 H ILE 86 H ILE 86 6.530 2.498 -7.331 627 HA ILE 86 HA ILE 86 3.786 1.491 -7.722 628 HB ILE 86 HB ILE 86 5.310 1.402 -9.742 629 HG12 ILE 86 1HG1 ILE 86 3.281 -0.096 -9.238 630 HG13 ILE 86 2HG1 ILE 86 4.408 -0.643 -10.475 631 HG21 ILE 86 1HG2 ILE 86 7.002 0.106 -7.831 632 HG22 ILE 86 2HG2 ILE 86 6.666 -0.992 -9.169 633 HG23 ILE 86 3HG2 ILE 86 7.362 0.597 -9.486 634 HD11 ILE 86 1HD1 ILE 86 3.532 -2.017 -8.185 635 HD12 ILE 86 2HD1 ILE 86 4.717 -2.536 -9.383 636 HD13 ILE 86 3HD1 ILE 86 5.242 -1.658 -7.947 637 H VAL 87 H VAL 87 3.291 -0.585 -6.894 638 HA VAL 87 HA VAL 87 5.162 -1.564 -4.838 639 HB VAL 87 HB VAL 87 2.150 -1.510 -4.608 640 HG11 VAL 87 1HG1 VAL 87 4.059 -3.123 -3.331 641 HG12 VAL 87 2HG1 VAL 87 3.571 -1.908 -2.148 642 HG13 VAL 87 3HG1 VAL 87 2.357 -2.932 -2.915 643 HG21 VAL 87 1HG2 VAL 87 2.401 0.235 -2.996 644 HG22 VAL 87 2HG2 VAL 87 4.159 0.122 -3.064 645 HG23 VAL 87 3HG2 VAL 87 3.261 0.727 -4.455 646 H ARG 88 H ARG 88 5.734 -3.618 -5.080 647 HA ARG 88 HA ARG 88 3.964 -5.393 -6.630 648 HB2 ARG 88 1HB ARG 88 6.898 -4.936 -6.768 649 HB3 ARG 88 2HB ARG 88 6.331 -6.587 -6.981 650 HG2 ARG 88 1HG ARG 88 4.853 -5.813 -8.798 651 HG3 ARG 88 2HG ARG 88 5.522 -4.190 -8.612 652 HD2 ARG 88 1HD ARG 88 6.750 -5.105 -10.372 653 HD3 ARG 88 2HD ARG 88 7.804 -5.302 -8.972 654 HE ARG 88 HE ARG 88 6.229 -7.613 -9.295 655 HH11 ARG 88 1HH1 ARG 88 8.882 -5.922 -10.786 656 HH12 ARG 88 2HH1 ARG 88 9.588 -7.355 -11.457 657 HH21 ARG 88 1HH2 ARG 88 7.149 -9.506 -10.173 658 HH22 ARG 88 2HH2 ARG 88 8.601 -9.393 -11.108 659 H TYR 89 H TYR 89 3.333 -7.220 -5.667 660 HA TYR 89 HA TYR 89 4.874 -8.247 -3.394 661 HB2 TYR 89 1HB TYR 89 2.826 -8.577 -2.086 662 HB3 TYR 89 2HB TYR 89 3.074 -6.873 -2.452 663 HD1 TYR 89 2HD TYR 89 1.001 -9.822 -3.109 664 HD2 TYR 89 1HD TYR 89 1.576 -5.691 -3.949 665 HE1 TYR 89 2HE TYR 89 -1.262 -9.707 -4.066 666 HE2 TYR 89 1HE TYR 89 -0.686 -5.564 -4.907 667 HH TYR 89 HH TYR 89 -3.004 -7.948 -4.465 668 H ARG 90 H ARG 90 5.007 -10.422 -3.304 669 HA ARG 90 HA ARG 90 3.754 -11.917 -5.475 670 HB2 ARG 90 1HB ARG 90 6.139 -12.219 -5.223 671 HB3 ARG 90 2HB ARG 90 5.945 -12.645 -3.528 672 HG2 ARG 90 1HG ARG 90 4.535 -14.602 -4.359 673 HG3 ARG 90 2HG ARG 90 5.203 -14.241 -5.952 674 HD2 ARG 90 1HD ARG 90 6.831 -14.815 -3.480 675 HD3 ARG 90 2HD ARG 90 6.466 -15.989 -4.743 676 HE ARG 90 HE ARG 90 7.658 -13.735 -5.913 677 HH11 ARG 90 1HH1 ARG 90 8.452 -16.396 -3.814 678 HH12 ARG 90 2HH1 ARG 90 10.119 -16.441 -4.286 679 HH21 ARG 90 1HH2 ARG 90 9.849 -13.784 -6.543 680 HH22 ARG 90 2HH2 ARG 90 10.912 -14.955 -5.838 681 H MET 91 H MET 91 2.554 -13.813 -5.148 682 HA MET 91 HA MET 91 1.865 -14.661 -2.480 683 HB2 MET 91 1HB MET 91 0.388 -12.607 -3.227 684 HB3 MET 91 2HB MET 91 -0.477 -13.834 -4.142 685 HG2 MET 91 1HG MET 91 -1.299 -14.849 -2.279 686 HG3 MET 91 2HG MET 91 0.070 -14.369 -1.278 687 HE1 MET 91 1HE MET 91 -3.954 -12.690 -1.672 688 HE2 MET 91 2HE MET 91 -3.247 -14.284 -1.935 689 HE3 MET 91 3HE MET 91 -3.460 -13.673 -0.294 690 H TYR 92 H TYR 92 1.451 -16.782 -2.474 691 HA TYR 92 HA TYR 92 0.572 -18.049 -4.979 692 HB2 TYR 92 1HB TYR 92 2.916 -18.751 -3.249 693 HB3 TYR 92 2HB TYR 92 2.084 -20.018 -4.142 694 HD1 TYR 92 2HD TYR 92 1.604 -19.277 -6.715 695 HD2 TYR 92 1HD TYR 92 4.783 -17.870 -4.261 696 HE1 TYR 92 2HE TYR 92 2.902 -18.716 -8.727 697 HE2 TYR 92 1HE TYR 92 6.089 -17.304 -6.267 698 HH TYR 92 HH TYR 92 5.734 -18.450 -9.076 699 H ALA 93 H ALA 93 -1.162 -17.347 -2.954 700 HA ALA 93 HA ALA 93 -2.082 -19.983 -2.099 701 HB1 ALA 93 1HB ALA 93 -0.721 -18.528 -0.294 702 HB2 ALA 93 2HB ALA 93 -2.348 -17.903 -0.026 703 HB3 ALA 93 3HB ALA 93 -2.031 -19.631 0.129 704 H SER 94 H SER 94 -4.344 -19.956 -1.368 705 HA SER 94 HA SER 94 -6.060 -18.762 -3.146 706 HB2 SER 94 1HB SER 94 -6.606 -19.638 -0.302 707 HB3 SER 94 2HB SER 94 -7.865 -19.226 -1.466 708 HG SER 94 HG SER 94 -7.616 -21.109 -2.358 709 H TYR 95 H TYR 95 -6.612 -16.728 -3.509 710 HA TYR 95 HA TYR 95 -6.356 -14.783 -1.316 711 HB2 TYR 95 1HB TYR 95 -4.981 -13.920 -2.938 712 HB3 TYR 95 2HB TYR 95 -5.908 -14.628 -4.256 713 HD1 TYR 95 1HD TYR 95 -7.095 -12.419 -1.506 714 HD2 TYR 95 2HD TYR 95 -6.336 -12.821 -5.673 715 HE1 TYR 95 1HE TYR 95 -8.176 -10.246 -1.906 716 HE2 TYR 95 2HE TYR 95 -7.414 -10.649 -6.085 717 HH TYR 95 HH TYR 95 -7.814 -8.478 -4.582 718 H LYS 96 H LYS 96 -8.284 -14.569 -0.360 719 HA LYS 96 HA LYS 96 -10.652 -14.218 -2.078 720 HB2 LYS 96 1HB LYS 96 -10.312 -15.441 0.642 721 HB3 LYS 96 2HB LYS 96 -11.870 -14.782 0.157 722 HG2 LYS 96 1HG LYS 96 -12.234 -16.412 -1.399 723 HG3 LYS 96 2HG LYS 96 -10.513 -16.687 -1.677 724 HD2 LYS 96 1HD LYS 96 -11.347 -18.601 -0.538 725 HD3 LYS 96 2HD LYS 96 -10.405 -17.676 0.634 726 HE2 LYS 96 1HE LYS 96 -12.361 -16.832 1.672 727 HE3 LYS 96 2HE LYS 96 -13.389 -17.400 0.357 728 HZ1 LYS 96 1HZ LYS 96 -11.836 -19.233 2.093 729 HZ2 LYS 96 2HZ LYS 96 -13.080 -19.630 1.018 730 HZ3 LYS 96 3HZ LYS 96 -13.428 -18.773 2.434 731 H ASN 97 H ASN 97 -8.932 -13.034 0.765 732 HA ASN 97 HA ASN 97 -10.048 -10.393 0.333 733 HB2 ASN 97 1HB ASN 97 -11.739 -11.101 1.800 734 HB3 ASN 97 2HB ASN 97 -10.619 -12.032 2.789 735 HD21 ASN 97 1HD2 ASN 97 -11.799 -10.816 4.484 736 HD22 ASN 97 2HD2 ASN 97 -11.182 -9.267 4.937 737 H LEU 98 H LEU 98 -8.519 -8.910 0.641 738 HA LEU 98 HA LEU 98 -6.313 -9.508 2.489 739 HB2 LEU 98 1HB LEU 98 -5.855 -8.094 -0.114 740 HB3 LEU 98 2HB LEU 98 -4.671 -8.830 0.965 741 HG LEU 98 HG LEU 98 -6.683 -10.443 -0.590 742 HD11 LEU 98 1HD1 LEU 98 -3.923 -9.545 -1.384 743 HD12 LEU 98 2HD1 LEU 98 -5.438 -9.294 -2.251 744 HD13 LEU 98 3HD1 LEU 98 -4.753 -10.914 -2.125 745 HD21 LEU 98 1HD2 LEU 98 -4.022 -11.221 0.589 746 HD22 LEU 98 2HD2 LEU 98 -5.244 -12.286 -0.107 747 HD23 LEU 98 3HD2 LEU 98 -5.566 -11.445 1.410 748 H LYS 99 H LYS 99 -5.439 -7.759 3.573 749 HA LYS 99 HA LYS 99 -6.963 -5.252 3.325 750 HB2 LYS 99 1HB LYS 99 -7.349 -6.101 5.484 751 HB3 LYS 99 2HB LYS 99 -5.678 -6.612 5.679 752 HG2 LYS 99 1HG LYS 99 -4.964 -4.537 6.281 753 HG3 LYS 99 2HG LYS 99 -6.206 -3.713 5.335 754 HD2 LYS 99 1HD LYS 99 -6.675 -3.401 7.675 755 HD3 LYS 99 2HD LYS 99 -7.895 -4.476 6.989 756 HE2 LYS 99 1HE LYS 99 -7.392 -5.646 8.879 757 HE3 LYS 99 2HE LYS 99 -6.183 -6.329 7.791 758 HZ1 LYS 99 1HZ LYS 99 -4.501 -5.059 8.743 759 HZ2 LYS 99 2HZ LYS 99 -5.419 -5.551 10.076 760 HZ3 LYS 99 3HZ LYS 99 -5.578 -3.978 9.475 761 H VAL 100 H VAL 100 -5.927 -3.432 2.795 762 HA VAL 100 HA VAL 100 -2.983 -3.506 2.703 763 HB VAL 100 HB VAL 100 -4.786 -1.721 1.069 764 HG11 VAL 100 1HG1 VAL 100 -2.456 -0.953 1.469 765 HG12 VAL 100 2HG1 VAL 100 -1.880 -2.428 0.690 766 HG13 VAL 100 3HG1 VAL 100 -2.822 -1.253 -0.230 767 HG21 VAL 100 1HG2 VAL 100 -3.790 -3.407 -0.751 768 HG22 VAL 100 2HG2 VAL 100 -3.873 -4.502 0.629 769 HG23 VAL 100 3HG2 VAL 100 -5.329 -3.682 0.064 770 H GLU 101 H GLU 101 -1.803 -1.711 3.391 771 HA GLU 101 HA GLU 101 -3.283 0.441 4.719 772 HB2 GLU 101 1HB GLU 101 -1.444 -1.518 5.994 773 HB3 GLU 101 2HB GLU 101 -1.325 0.156 6.517 774 HG2 GLU 101 1HG GLU 101 -3.863 0.030 6.843 775 HG3 GLU 101 2HG GLU 101 -3.650 -1.716 6.736 776 H ILE 102 H ILE 102 -2.618 2.224 3.727 777 HA ILE 102 HA ILE 102 0.233 2.466 3.027 778 HB ILE 102 HB ILE 102 -1.997 4.098 1.829 779 HG12 ILE 102 1HG1 ILE 102 -1.413 2.438 -0.172 780 HG13 ILE 102 2HG1 ILE 102 -1.038 1.355 1.163 781 HG21 ILE 102 1HG2 ILE 102 0.177 3.715 0.075 782 HG22 ILE 102 2HG2 ILE 102 -0.323 5.201 0.881 783 HG23 ILE 102 3HG2 ILE 102 0.851 4.134 1.650 784 HD11 ILE 102 1HD1 ILE 102 -3.223 0.837 0.843 785 HD12 ILE 102 2HD1 ILE 102 -3.409 2.154 2.002 786 HD13 ILE 102 3HD1 ILE 102 -3.642 2.454 0.280 787 H LYS 103 H LYS 103 1.320 3.694 4.405 788 HA LYS 103 HA LYS 103 0.176 6.250 5.240 789 HB2 LYS 103 1HB LYS 103 1.431 4.315 7.194 790 HB3 LYS 103 2HB LYS 103 0.804 5.915 7.567 791 HG2 LYS 103 1HG LYS 103 -0.963 4.665 8.240 792 HG3 LYS 103 2HG LYS 103 -1.410 4.887 6.547 793 HD2 LYS 103 1HD LYS 103 -1.669 2.625 6.707 794 HD3 LYS 103 2HD LYS 103 0.039 2.685 6.263 795 HE2 LYS 103 1HE LYS 103 -0.782 2.729 9.140 796 HE3 LYS 103 2HE LYS 103 -0.716 1.204 8.258 797 HZ1 LYS 103 1HZ LYS 103 1.639 2.180 7.608 798 HZ2 LYS 103 2HZ LYS 103 1.400 1.271 9.015 799 HZ3 LYS 103 3HZ LYS 103 1.456 2.960 9.099 800 H PHE 104 H PHE 104 1.734 7.815 5.867 801 HA PHE 104 HA PHE 104 4.496 7.133 5.098 802 HB2 PHE 104 1HB PHE 104 3.929 8.530 3.359 803 HB3 PHE 104 2HB PHE 104 2.768 9.436 4.324 804 HD1 PHE 104 1HD PHE 104 6.420 8.730 4.646 805 HD2 PHE 104 2HD PHE 104 3.331 11.651 4.435 806 HE1 PHE 104 1HE PHE 104 8.087 10.511 4.969 807 HE2 PHE 104 2HE PHE 104 4.993 13.437 4.756 808 HZ PHE 104 HZ PHE 104 7.374 12.868 5.023 809 H GLN 105 H GLN 105 5.516 6.963 7.010 810 HA GLN 105 HA GLN 105 6.390 7.512 9.037 811 HB2 GLN 105 1HB GLN 105 5.855 10.308 8.020 812 HB3 GLN 105 2HB GLN 105 6.834 9.928 9.431 813 HG2 GLN 105 1HG GLN 105 7.498 8.717 6.786 814 HG3 GLN 105 2HG GLN 105 7.969 10.377 7.146 815 HE21 GLN 105 1HE2 GLN 105 9.646 8.056 6.680 816 HE22 GLN 105 2HE2 GLN 105 10.616 7.863 8.096 817 H GLY 106 H GLY 106 3.446 7.155 8.726 818 HA2 GLY 106 1HA GLY 106 2.008 6.915 10.640 819 HA3 GLY 106 2HA GLY 106 2.700 8.392 11.293 820 H GLN 107 H GLN 107 2.204 8.847 8.048 821 HA GLN 107 HA GLN 107 -0.344 10.216 8.575 822 HB2 GLN 107 1HB GLN 107 1.732 10.726 6.438 823 HB3 GLN 107 2HB GLN 107 0.221 11.610 6.606 824 HG2 GLN 107 1HG GLN 107 1.599 13.042 7.689 825 HG3 GLN 107 2HG GLN 107 1.146 12.013 9.047 826 HE21 GLN 107 1HE2 GLN 107 3.638 12.696 6.683 827 HE22 GLN 107 2HE2 GLN 107 4.938 11.977 7.564 828 H HIS 108 H HIS 108 -1.996 8.953 7.992 829 HA HIS 108 HA HIS 108 -1.866 6.955 5.994 830 HB2 HIS 108 1HB HIS 108 -4.061 8.212 7.591 831 HB3 HIS 108 2HB HIS 108 -4.481 7.202 6.211 832 HD1 HIS 108 1HD HIS 108 -4.123 4.678 6.439 833 HD2 HIS 108 2HD HIS 108 -2.889 6.841 9.765 834 HE1 HIS 108 1HE HIS 108 -3.707 2.969 8.236 835 HE2 HIS 108 2HE HIS 108 -3.044 4.308 10.264 836 H VAL 109 H VAL 109 -1.718 7.283 3.883 837 HA VAL 109 HA VAL 109 -2.362 9.786 2.661 838 HB VAL 109 HB VAL 109 -1.685 7.141 1.365 839 HG11 VAL 109 1HG1 VAL 109 -2.671 9.513 0.227 840 HG12 VAL 109 2HG1 VAL 109 -0.949 9.456 -0.155 841 HG13 VAL 109 3HG1 VAL 109 -1.999 8.112 -0.607 842 HG21 VAL 109 1HG2 VAL 109 -0.030 8.361 2.990 843 HG22 VAL 109 2HG2 VAL 109 0.544 7.695 1.461 844 HG23 VAL 109 3HG2 VAL 109 0.220 9.423 1.605 845 H ALA 110 H ALA 110 -3.631 6.497 2.091 846 HA ALA 110 HA ALA 110 -6.058 7.674 0.957 847 HB1 ALA 110 1HB ALA 110 -6.383 5.001 0.648 848 HB2 ALA 110 2HB ALA 110 -5.592 6.052 -0.526 849 HB3 ALA 110 3HB ALA 110 -4.625 5.133 0.627 850 H LYS 111 H LYS 111 -7.975 5.880 1.415 851 HA LYS 111 HA LYS 111 -8.647 6.346 4.161 852 HB2 LYS 111 1HB LYS 111 -10.021 5.033 1.839 853 HB3 LYS 111 2HB LYS 111 -10.673 4.859 3.463 854 HG2 LYS 111 1HG LYS 111 -10.045 7.575 2.393 855 HG3 LYS 111 2HG LYS 111 -11.535 6.755 1.921 856 HD2 LYS 111 1HD LYS 111 -10.718 7.100 4.796 857 HD3 LYS 111 2HD LYS 111 -11.671 8.307 3.930 858 HE2 LYS 111 1HE LYS 111 -13.250 6.375 3.360 859 HE3 LYS 111 2HE LYS 111 -12.400 5.475 4.615 860 HZ1 LYS 111 1HZ LYS 111 -13.678 6.460 6.109 861 HZ2 LYS 111 2HZ LYS 111 -14.451 7.369 4.910 862 HZ3 LYS 111 3HZ LYS 111 -13.062 7.972 5.664 863 H SER 112 H SER 112 -6.371 4.870 4.209 864 HA SER 112 HA SER 112 -6.962 2.063 4.486 865 HB2 SER 112 1HB SER 112 -4.773 2.214 3.863 866 HB3 SER 112 2HB SER 112 -4.548 3.778 4.646 867 HG SER 112 HG SER 112 -3.389 2.161 5.734 868 HA PRO 113 HA PRO 113 -5.736 0.417 5.712 869 HB2 PRO 113 1HB PRO 113 -7.094 -1.588 6.939 870 HB3 PRO 113 2HB PRO 113 -5.615 -0.883 7.603 871 HG2 PRO 113 1HG PRO 113 -8.468 -0.329 8.324 872 HG3 PRO 113 2HG PRO 113 -7.065 -0.540 9.388 873 HD2 PRO 113 1HD PRO 113 -8.055 1.898 8.749 874 HD3 PRO 113 2HD PRO 113 -6.329 1.619 9.055 875 H TYR 114 H TYR 114 -6.639 -1.065 4.181 876 HA TYR 114 HA TYR 114 -9.315 -0.261 3.290 877 HB2 TYR 114 1HB TYR 114 -6.875 -1.281 1.915 878 HB3 TYR 114 2HB TYR 114 -8.439 -1.664 1.205 879 HD1 TYR 114 1HD TYR 114 -10.000 0.257 0.631 880 HD2 TYR 114 2HD TYR 114 -5.899 0.834 1.606 881 HE1 TYR 114 1HE TYR 114 -10.067 2.475 -0.429 882 HE2 TYR 114 2HE TYR 114 -5.954 3.054 0.549 883 HH TYR 114 HH TYR 114 -7.214 4.303 -1.044 884 H ILE 115 H ILE 115 -10.905 -1.540 3.950 885 HA ILE 115 HA ILE 115 -10.389 -4.382 4.409 886 HB ILE 115 HB ILE 115 -12.981 -2.974 4.988 887 HG12 ILE 115 1HG1 ILE 115 -11.337 -1.626 6.103 888 HG13 ILE 115 2HG1 ILE 115 -12.086 -2.657 7.317 889 HG21 ILE 115 1HG2 ILE 115 -13.388 -4.740 6.483 890 HG22 ILE 115 2HG2 ILE 115 -12.718 -5.503 5.042 891 HG23 ILE 115 3HG2 ILE 115 -11.702 -5.257 6.462 892 HD11 ILE 115 1HD1 ILE 115 -10.192 -4.017 7.486 893 HD12 ILE 115 2HD1 ILE 115 -9.508 -3.398 5.983 894 HD13 ILE 115 3HD1 ILE 115 -9.568 -2.370 7.414 895 H LEU 116 H LEU 116 -10.935 -5.859 2.956 896 HA LEU 116 HA LEU 116 -13.123 -5.262 1.080 897 HB2 LEU 116 1HB LEU 116 -10.568 -6.704 0.390 898 HB3 LEU 116 2HB LEU 116 -11.901 -6.343 -0.706 899 HG LEU 116 HG LEU 116 -11.315 -3.854 -0.032 900 HD11 LEU 116 1HD1 LEU 116 -9.127 -3.433 0.573 901 HD12 LEU 116 2HD1 LEU 116 -8.570 -5.030 0.075 902 HD13 LEU 116 3HD1 LEU 116 -9.518 -4.848 1.551 903 HD21 LEU 116 1HD2 LEU 116 -9.963 -5.624 -2.044 904 HD22 LEU 116 2HD2 LEU 116 -9.641 -3.892 -1.964 905 HD23 LEU 116 3HD2 LEU 116 -11.275 -4.471 -2.289 906 H LYS 117 H LYS 117 -14.667 -6.542 1.964 907 HA LYS 117 HA LYS 117 -14.252 -9.415 1.763 908 HB2 LYS 117 1HB LYS 117 -15.193 -9.832 4.006 909 HB3 LYS 117 2HB LYS 117 -13.660 -8.973 4.077 910 HG2 LYS 117 1HG LYS 117 -15.123 -6.848 4.198 911 HG3 LYS 117 2HG LYS 117 -16.415 -7.965 4.645 912 HD2 LYS 117 1HD LYS 117 -13.751 -7.895 6.047 913 HD3 LYS 117 2HD LYS 117 -15.132 -6.923 6.561 914 HE2 LYS 117 1HE LYS 117 -16.455 -8.991 6.804 915 HE3 LYS 117 2HE LYS 117 -15.032 -9.932 6.363 916 HZ1 LYS 117 1HZ LYS 117 -14.064 -9.580 8.361 917 HZ2 LYS 117 2HZ LYS 117 -15.671 -9.423 8.864 918 HZ3 LYS 117 3HZ LYS 117 -14.740 -8.043 8.566 919 H GLY 118 H GLY 118 -16.140 -10.586 1.413 920 HA2 GLY 118 1HA GLY 118 -18.693 -9.169 1.480 921 HA3 GLY 118 2HA GLY 118 -18.132 -9.711 -0.095 922 H SER 119 H SER 119 -19.336 -11.402 -0.656 923 HA SER 119 HA SER 119 -20.283 -13.281 1.337 924 HB2 SER 119 1HB SER 119 -20.667 -13.382 -1.662 925 HB3 SER 119 2HB SER 119 -21.601 -14.244 -0.439 926 HG SER 119 HG SER 119 -21.450 -11.418 -0.550 927 H GLY 120 H GLY 120 -19.765 -15.462 1.444 928 HA2 GLY 120 1HA GLY 120 -17.375 -16.260 -0.103 929 HA3 GLY 120 2HA GLY 120 -17.577 -16.653 1.598 930 HA PRO 121 HA PRO 121 -19.124 -20.535 0.169 931 HB2 PRO 121 1HB PRO 121 -20.028 -21.449 2.560 932 HB3 PRO 121 2HB PRO 121 -18.312 -21.400 2.136 933 HG2 PRO 121 1HG PRO 121 -19.911 -19.484 3.790 934 HG3 PRO 121 2HG PRO 121 -18.286 -20.130 4.084 935 HD2 PRO 121 1HD PRO 121 -18.708 -17.659 3.059 936 HD3 PRO 121 2HD PRO 121 -17.295 -18.644 2.628 937 H SER 122 H SER 122 -21.092 -21.549 -0.266 938 HA SER 122 HA SER 122 -23.563 -20.564 0.820 939 HB2 SER 122 1HB SER 122 -22.938 -20.041 -2.096 940 HB3 SER 122 2HB SER 122 -24.505 -19.792 -1.326 941 HG SER 122 HG SER 122 -22.676 -18.021 -1.530 942 H SER 123 H SER 123 -25.440 -21.734 -0.040 943 HA SER 123 HA SER 123 -24.798 -24.502 -0.438 944 HB2 SER 123 1HB SER 123 -26.700 -23.836 0.966 945 HB3 SER 123 2HB SER 123 -27.483 -23.100 -0.432 946 HG SER 123 HG SER 123 -28.309 -25.005 -0.722 947 H GLY 124 H GLY 124 -24.227 -25.272 -2.359 948 HA2 GLY 124 1HA GLY 124 -25.934 -25.054 -4.623 949 HA3 GLY 124 2HA GLY 124 -24.522 -24.024 -4.816 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -0.819 6.291 14.334 2 HA2 GLY 1 1HA GLY 1 -3.672 5.566 14.201 3 HA3 GLY 1 2HA GLY 1 -2.918 5.886 15.756 4 H SER 2 H SER 2 -1.324 8.060 15.138 5 HA SER 2 HA SER 2 -3.100 10.190 15.399 6 HB2 SER 2 1HB SER 2 -0.195 10.113 14.576 7 HB3 SER 2 2HB SER 2 -1.074 11.620 14.832 8 HG SER 2 HG SER 2 -0.357 11.283 16.807 9 H SER 3 H SER 3 -3.132 12.136 13.904 10 HA SER 3 HA SER 3 -2.820 11.683 11.095 11 HB2 SER 3 1HB SER 3 -5.581 11.637 12.312 12 HB3 SER 3 2HB SER 3 -5.304 12.056 10.621 13 HG SER 3 HG SER 3 -5.031 10.021 10.196 14 H GLY 4 H GLY 4 -2.359 13.580 10.191 15 HA2 GLY 4 1HA GLY 4 -3.134 15.879 9.755 16 HA3 GLY 4 2HA GLY 4 -3.411 16.021 11.484 17 H SER 5 H SER 5 -1.846 17.811 9.959 18 HA SER 5 HA SER 5 0.884 17.201 10.876 19 HB2 SER 5 1HB SER 5 1.667 18.817 9.226 20 HB3 SER 5 2HB SER 5 0.631 17.624 8.444 21 HG SER 5 HG SER 5 -0.273 20.155 9.348 22 H SER 6 H SER 6 2.143 19.345 11.325 23 HA SER 6 HA SER 6 0.466 21.226 12.828 24 HB2 SER 6 1HB SER 6 2.741 19.580 13.900 25 HB3 SER 6 2HB SER 6 2.361 21.148 14.610 26 HG SER 6 HG SER 6 1.144 19.748 15.743 27 H GLY 7 H GLY 7 1.513 23.263 13.297 28 HA2 GLY 7 1HA GLY 7 2.686 25.117 12.618 29 HA3 GLY 7 2HA GLY 7 4.058 24.025 12.496 30 H GLU 8 H GLU 8 1.353 25.437 10.750 31 HA GLU 8 HA GLU 8 2.298 24.396 8.212 32 HB2 GLU 8 1HB GLU 8 -0.029 26.142 8.999 33 HB3 GLU 8 2HB GLU 8 0.379 25.824 7.319 34 HG2 GLU 8 1HG GLU 8 -0.256 23.629 7.431 35 HG3 GLU 8 2HG GLU 8 0.033 23.520 9.166 36 H THR 9 H THR 9 4.254 25.339 7.781 37 HA THR 9 HA THR 9 4.236 27.939 6.654 38 HB THR 9 HB THR 9 4.316 28.550 9.077 39 HG1 THR 9 1HG THR 9 5.407 29.734 7.250 40 HG21 THR 9 1HG2 THR 9 5.546 26.891 10.150 41 HG22 THR 9 2HG2 THR 9 6.687 28.234 10.079 42 HG23 THR 9 3HG2 THR 9 6.817 26.905 8.928 43 H GLY 10 H GLY 10 6.389 28.578 5.832 44 HA2 GLY 10 1HA GLY 10 8.767 27.385 5.897 45 HA3 GLY 10 2HA GLY 10 7.843 26.199 4.987 46 H GLY 11 H GLY 11 9.512 26.695 3.340 47 HA2 GLY 11 1HA GLY 11 8.793 29.130 1.826 48 HA3 GLY 11 2HA GLY 11 10.413 28.449 1.851 49 H GLU 12 H GLU 12 10.256 25.920 1.275 50 HA GLU 12 HA GLU 12 9.405 25.879 -1.459 51 HB2 GLU 12 1HB GLU 12 10.400 23.694 -1.562 52 HB3 GLU 12 2HB GLU 12 11.461 24.739 -0.629 53 HG2 GLU 12 1HG GLU 12 10.447 23.783 1.443 54 HG3 GLU 12 2HG GLU 12 9.596 22.628 0.420 55 H ARG 13 H ARG 13 8.161 23.946 -2.309 56 HA ARG 13 HA ARG 13 5.548 23.997 -1.344 57 HB2 ARG 13 1HB ARG 13 5.125 22.112 -2.857 58 HB3 ARG 13 2HB ARG 13 6.096 23.354 -3.635 59 HG2 ARG 13 1HG ARG 13 8.106 22.033 -3.276 60 HG3 ARG 13 2HG ARG 13 7.155 20.796 -2.450 61 HD2 ARG 13 1HD ARG 13 5.918 20.340 -4.473 62 HD3 ARG 13 2HD ARG 13 6.733 21.663 -5.307 63 HE ARG 13 HE ARG 13 7.710 19.021 -4.954 64 HH11 ARG 13 1HH1 ARG 13 8.719 22.349 -5.108 65 HH12 ARG 13 2HH1 ARG 13 10.316 21.975 -5.666 66 HH21 ARG 13 1HH2 ARG 13 9.809 18.515 -5.689 67 HH22 ARG 13 2HH2 ARG 13 10.934 19.794 -5.997 68 H GLN 14 H GLN 14 4.348 21.833 -0.827 69 HA GLN 14 HA GLN 14 5.878 20.191 1.047 70 HB2 GLN 14 1HB GLN 14 3.427 21.804 1.730 71 HB3 GLN 14 2HB GLN 14 3.919 20.404 2.674 72 HG2 GLN 14 1HG GLN 14 6.034 21.462 3.194 73 HG3 GLN 14 2HG GLN 14 5.609 22.846 2.188 74 HE21 GLN 14 1HE2 GLN 14 6.231 22.613 5.073 75 HE22 GLN 14 2HE2 GLN 14 4.888 23.331 5.887 76 H LEU 15 H LEU 15 5.260 18.095 1.101 77 HA LEU 15 HA LEU 15 3.212 17.277 -0.795 78 HB2 LEU 15 1HB LEU 15 5.056 15.953 -1.097 79 HB3 LEU 15 2HB LEU 15 5.468 15.951 0.616 80 HG LEU 15 HG LEU 15 3.610 14.371 1.024 81 HD11 LEU 15 1HD1 LEU 15 3.368 13.683 -1.822 82 HD12 LEU 15 2HD1 LEU 15 2.610 15.202 -1.346 83 HD13 LEU 15 3HD1 LEU 15 2.151 13.699 -0.545 84 HD21 LEU 15 1HD2 LEU 15 6.080 13.875 -0.330 85 HD22 LEU 15 2HD2 LEU 15 4.871 12.707 -0.865 86 HD23 LEU 15 3HD2 LEU 15 5.238 12.873 0.853 87 H SER 16 H SER 16 1.246 16.573 -0.261 88 HA SER 16 HA SER 16 0.692 16.051 2.587 89 HB2 SER 16 1HB SER 16 -0.381 18.088 1.272 90 HB3 SER 16 2HB SER 16 -1.495 16.842 0.711 91 HG SER 16 HG SER 16 -0.896 17.160 3.451 92 HA PRO 17 HA PRO 17 -0.189 11.945 1.082 93 HB2 PRO 17 1HB PRO 17 -0.823 10.906 3.509 94 HB3 PRO 17 2HB PRO 17 0.843 11.189 2.991 95 HG2 PRO 17 1HG PRO 17 -0.902 12.863 4.755 96 HG3 PRO 17 2HG PRO 17 0.809 12.442 4.949 97 HD2 PRO 17 1HD PRO 17 -0.001 14.837 3.980 98 HD3 PRO 17 2HD PRO 17 1.505 14.056 3.458 99 H GLU 18 H GLU 18 -2.313 13.525 3.470 100 HA GLU 18 HA GLU 18 -4.594 12.050 3.205 101 HB2 GLU 18 1HB GLU 18 -5.829 14.246 3.618 102 HB3 GLU 18 2HB GLU 18 -4.621 13.775 4.804 103 HG2 GLU 18 1HG GLU 18 -4.083 15.966 4.546 104 HG3 GLU 18 2HG GLU 18 -3.050 15.257 3.306 105 H LYS 19 H LYS 19 -3.658 14.815 1.169 106 HA LYS 19 HA LYS 19 -5.894 14.604 -0.567 107 HB2 LYS 19 1HB LYS 19 -3.386 16.158 -0.465 108 HB3 LYS 19 2HB LYS 19 -4.044 15.901 -2.075 109 HG2 LYS 19 1HG LYS 19 -5.845 17.221 -1.703 110 HG3 LYS 19 2HG LYS 19 -5.933 16.809 0.011 111 HD2 LYS 19 1HD LYS 19 -3.631 18.140 0.045 112 HD3 LYS 19 2HD LYS 19 -4.355 18.915 -1.366 113 HE2 LYS 19 1HE LYS 19 -6.423 19.239 0.101 114 HE3 LYS 19 2HE LYS 19 -5.376 18.829 1.459 115 HZ1 LYS 19 1HZ LYS 19 -3.998 20.718 0.011 116 HZ2 LYS 19 2HZ LYS 19 -4.785 20.952 1.490 117 HZ3 LYS 19 3HZ LYS 19 -5.593 21.280 0.040 118 H SER 20 H SER 20 -2.477 13.674 -0.966 119 HA SER 20 HA SER 20 -2.317 12.685 -3.432 120 HB2 SER 20 1HB SER 20 -1.420 11.178 -0.963 121 HB3 SER 20 2HB SER 20 -0.832 10.892 -2.601 122 HG SER 20 HG SER 20 -0.695 13.493 -1.595 123 H GLU 21 H GLU 21 -3.318 11.264 -4.703 124 HA GLU 21 HA GLU 21 -5.287 9.463 -3.473 125 HB2 GLU 21 1HB GLU 21 -5.088 10.409 -6.338 126 HB3 GLU 21 2HB GLU 21 -6.365 9.402 -5.672 127 HG2 GLU 21 1HG GLU 21 -5.783 12.131 -4.583 128 HG3 GLU 21 2HG GLU 21 -6.840 11.886 -5.971 129 H ILE 22 H ILE 22 -5.445 7.295 -4.145 130 HA ILE 22 HA ILE 22 -3.099 6.254 -5.589 131 HB ILE 22 HB ILE 22 -4.391 4.999 -3.164 132 HG12 ILE 22 1HG1 ILE 22 -1.603 6.128 -3.481 133 HG13 ILE 22 2HG1 ILE 22 -2.936 6.994 -2.724 134 HG21 ILE 22 1HG2 ILE 22 -3.041 3.158 -3.427 135 HG22 ILE 22 2HG2 ILE 22 -3.398 3.555 -5.107 136 HG23 ILE 22 3HG2 ILE 22 -1.855 4.031 -4.397 137 HD11 ILE 22 1HD1 ILE 22 -2.864 4.546 -1.422 138 HD12 ILE 22 2HD1 ILE 22 -1.173 5.005 -1.623 139 HD13 ILE 22 3HD1 ILE 22 -2.292 6.097 -0.809 140 H TRP 23 H TRP 23 -4.026 5.754 -7.504 141 HA TRP 23 HA TRP 23 -6.503 4.178 -7.487 142 HB2 TRP 23 1HB TRP 23 -6.832 4.841 -9.756 143 HB3 TRP 23 2HB TRP 23 -6.353 6.287 -8.871 144 HD1 TRP 23 HD TRP 23 -4.907 3.715 -11.355 145 HE1 TRP 23 1HE TRP 23 -2.954 4.824 -12.614 146 HE3 TRP 23 3HE TRP 23 -4.694 8.134 -8.793 147 HZ2 TRP 23 2HZ TRP 23 -1.515 7.250 -12.531 148 HZ3 TRP 23 3HZ TRP 23 -3.000 9.795 -9.445 149 HH2 TRP 23 HH TRP 23 -1.444 9.360 -11.276 150 H GLY 24 H GLY 24 -6.593 2.566 -9.412 151 HA2 GLY 24 1HA GLY 24 -4.869 1.240 -10.793 152 HA3 GLY 24 2HA GLY 24 -4.163 0.914 -9.217 153 HA PRO 25 HA PRO 25 -7.587 -2.173 -10.419 154 HB2 PRO 25 1HB PRO 25 -6.009 -4.277 -11.094 155 HB3 PRO 25 2HB PRO 25 -6.567 -3.079 -12.268 156 HG2 PRO 25 1HG PRO 25 -3.924 -3.278 -10.875 157 HG3 PRO 25 2HG PRO 25 -4.268 -2.907 -12.575 158 HD2 PRO 25 1HD PRO 25 -3.677 -0.990 -10.756 159 HD3 PRO 25 2HD PRO 25 -4.774 -0.704 -12.122 160 H GLY 26 H GLY 26 -4.921 -1.872 -8.351 161 HA2 GLY 26 1HA GLY 26 -4.911 -4.278 -6.936 162 HA3 GLY 26 2HA GLY 26 -4.466 -2.715 -6.266 163 H LEU 27 H LEU 27 -7.012 -1.462 -6.595 164 HA LEU 27 HA LEU 27 -8.363 -2.648 -4.310 165 HB2 LEU 27 1HB LEU 27 -8.971 -0.095 -5.792 166 HB3 LEU 27 2HB LEU 27 -9.650 -0.594 -4.244 167 HG LEU 27 HG LEU 27 -6.696 -0.212 -4.540 168 HD11 LEU 27 1HD1 LEU 27 -8.656 1.828 -4.931 169 HD12 LEU 27 2HD1 LEU 27 -6.898 1.961 -4.921 170 HD13 LEU 27 3HD1 LEU 27 -7.803 2.119 -3.415 171 HD21 LEU 27 1HD2 LEU 27 -6.913 0.367 -2.151 172 HD22 LEU 27 2HD2 LEU 27 -7.487 -1.261 -2.513 173 HD23 LEU 27 3HD2 LEU 27 -8.645 0.045 -2.252 174 H LYS 28 H LYS 28 -8.554 -4.189 -6.634 175 HA LYS 28 HA LYS 28 -11.356 -3.799 -7.452 176 HB2 LYS 28 1HB LYS 28 -9.088 -5.244 -8.829 177 HB3 LYS 28 2HB LYS 28 -10.760 -5.314 -9.369 178 HG2 LYS 28 1HG LYS 28 -9.455 -2.659 -9.010 179 HG3 LYS 28 2HG LYS 28 -9.089 -3.626 -10.441 180 HD2 LYS 28 1HD LYS 28 -11.254 -3.499 -11.240 181 HD3 LYS 28 2HD LYS 28 -11.935 -3.181 -9.643 182 HE2 LYS 28 1HE LYS 28 -10.575 -0.975 -9.790 183 HE3 LYS 28 2HE LYS 28 -10.542 -1.310 -11.520 184 HZ1 LYS 28 1HZ LYS 28 -12.468 -0.180 -11.477 185 HZ2 LYS 28 2HZ LYS 28 -12.753 -0.478 -9.837 186 HZ3 LYS 28 3HZ LYS 28 -13.127 -1.660 -10.989 187 H ALA 29 H ALA 29 -12.584 -5.827 -7.857 188 HA ALA 29 HA ALA 29 -12.333 -7.572 -5.577 189 HB1 ALA 29 1HB ALA 29 -14.353 -8.673 -6.934 190 HB2 ALA 29 2HB ALA 29 -14.547 -7.241 -5.923 191 HB3 ALA 29 3HB ALA 29 -14.363 -7.069 -7.668 192 H ASP 30 H ASP 30 -12.563 -9.970 -5.877 193 HA ASP 30 HA ASP 30 -11.283 -11.822 -6.415 194 HB2 ASP 30 1HB ASP 30 -12.960 -11.018 -8.737 195 HB3 ASP 30 2HB ASP 30 -11.790 -12.309 -8.995 196 H VAL 31 H VAL 31 -9.475 -9.876 -6.249 197 HA VAL 31 HA VAL 31 -8.016 -9.014 -8.384 198 HB VAL 31 HB VAL 31 -5.978 -9.211 -6.922 199 HG11 VAL 31 1HG1 VAL 31 -8.449 -7.751 -6.370 200 HG12 VAL 31 2HG1 VAL 31 -7.370 -7.879 -4.979 201 HG13 VAL 31 3HG1 VAL 31 -6.788 -7.169 -6.486 202 HG21 VAL 31 1HG2 VAL 31 -5.938 -10.572 -5.166 203 HG22 VAL 31 2HG2 VAL 31 -7.393 -9.831 -4.500 204 HG23 VAL 31 3HG2 VAL 31 -7.529 -11.167 -5.643 205 H VAL 32 H VAL 32 -5.757 -9.839 -9.011 206 HA VAL 32 HA VAL 32 -6.011 -12.203 -10.461 207 HB VAL 32 HB VAL 32 -3.585 -12.088 -10.824 208 HG11 VAL 32 1HG1 VAL 32 -4.530 -10.695 -12.346 209 HG12 VAL 32 2HG1 VAL 32 -5.349 -9.728 -11.119 210 HG13 VAL 32 3HG1 VAL 32 -3.629 -9.489 -11.428 211 HG21 VAL 32 1HG2 VAL 32 -3.427 -9.672 -9.073 212 HG22 VAL 32 2HG2 VAL 32 -3.241 -11.278 -8.369 213 HG23 VAL 32 3HG2 VAL 32 -2.139 -10.737 -9.634 214 H LEU 33 H LEU 33 -4.467 -14.102 -10.258 215 HA LEU 33 HA LEU 33 -5.034 -15.536 -7.931 216 HB2 LEU 33 1HB LEU 33 -3.305 -15.909 -10.294 217 HB3 LEU 33 2HB LEU 33 -2.888 -16.863 -8.872 218 HG LEU 33 HG LEU 33 -5.619 -16.872 -10.148 219 HD11 LEU 33 1HD1 LEU 33 -4.443 -17.853 -11.836 220 HD12 LEU 33 2HD1 LEU 33 -4.697 -19.257 -10.801 221 HD13 LEU 33 3HD1 LEU 33 -3.152 -18.407 -10.769 222 HD21 LEU 33 1HD2 LEU 33 -5.696 -17.569 -7.865 223 HD22 LEU 33 2HD2 LEU 33 -4.278 -18.599 -8.073 224 HD23 LEU 33 3HD2 LEU 33 -5.796 -19.014 -8.872 225 HA PRO 34 HA PRO 34 -0.484 -14.765 -6.510 226 HB2 PRO 34 1HB PRO 34 0.966 -12.935 -7.896 227 HB3 PRO 34 2HB PRO 34 0.925 -14.651 -8.321 228 HG2 PRO 34 1HG PRO 34 -0.590 -12.365 -9.521 229 HG3 PRO 34 2HG PRO 34 0.222 -13.717 -10.331 230 HD2 PRO 34 1HD PRO 34 -2.455 -13.655 -9.928 231 HD3 PRO 34 2HD PRO 34 -1.525 -15.167 -9.935 232 H ALA 35 H ALA 35 -0.310 -11.592 -7.897 233 HA ALA 35 HA ALA 35 -1.751 -10.366 -5.681 234 HB1 ALA 35 1HB ALA 35 0.630 -10.734 -4.951 235 HB2 ALA 35 2HB ALA 35 1.109 -9.591 -6.206 236 HB3 ALA 35 3HB ALA 35 0.064 -9.064 -4.887 237 H ARG 36 H ARG 36 -2.269 -8.157 -6.025 238 HA ARG 36 HA ARG 36 -2.068 -7.351 -8.849 239 HB2 ARG 36 1HB ARG 36 -4.343 -7.766 -7.572 240 HB3 ARG 36 2HB ARG 36 -4.056 -6.136 -6.980 241 HG2 ARG 36 1HG ARG 36 -5.406 -5.858 -8.862 242 HG3 ARG 36 2HG ARG 36 -3.778 -5.474 -9.424 243 HD2 ARG 36 1HD ARG 36 -3.579 -7.780 -10.294 244 HD3 ARG 36 2HD ARG 36 -5.246 -8.081 -9.806 245 HE ARG 36 HE ARG 36 -5.962 -6.904 -11.637 246 HH11 ARG 36 1HH1 ARG 36 -2.575 -6.286 -11.125 247 HH12 ARG 36 2HH1 ARG 36 -2.370 -5.436 -12.620 248 HH21 ARG 36 1HH2 ARG 36 -5.705 -5.786 -13.609 249 HH22 ARG 36 2HH2 ARG 36 -4.151 -5.151 -14.032 250 H TYR 37 H TYR 37 -0.946 -5.586 -9.347 251 HA TYR 37 HA TYR 37 0.130 -3.954 -7.184 252 HB2 TYR 37 1HB TYR 37 1.801 -3.268 -8.674 253 HB3 TYR 37 2HB TYR 37 1.505 -4.940 -9.136 254 HD1 TYR 37 2HD TYR 37 0.384 -5.471 -11.237 255 HD2 TYR 37 1HD TYR 37 1.178 -1.439 -10.134 256 HE1 TYR 37 2HE TYR 37 -0.051 -4.758 -13.551 257 HE2 TYR 37 1HE TYR 37 0.744 -0.715 -12.444 258 HH TYR 37 HH TYR 37 -0.761 -1.824 -14.467 259 H PHE 38 H PHE 38 0.339 -1.557 -7.651 260 HA PHE 38 HA PHE 38 -1.760 -0.391 -9.259 261 HB2 PHE 38 1HB PHE 38 -2.687 0.885 -7.280 262 HB3 PHE 38 2HB PHE 38 -3.083 -0.830 -7.326 263 HD1 PHE 38 1HD PHE 38 -1.839 -2.410 -5.846 264 HD2 PHE 38 2HD PHE 38 -1.484 1.816 -5.487 265 HE1 PHE 38 1HE PHE 38 -0.921 -2.683 -3.580 266 HE2 PHE 38 2HE PHE 38 -0.564 1.550 -3.221 267 HZ PHE 38 HZ PHE 38 -0.281 -0.702 -2.265 268 H TYR 39 H TYR 39 -1.790 2.110 -8.753 269 HA TYR 39 HA TYR 39 1.027 2.957 -8.646 270 HB2 TYR 39 1HB TYR 39 -1.274 4.408 -9.964 271 HB3 TYR 39 2HB TYR 39 0.437 4.800 -10.088 272 HD1 TYR 39 2HD TYR 39 1.922 2.747 -10.972 273 HD2 TYR 39 1HD TYR 39 -2.228 3.289 -11.736 274 HE1 TYR 39 2HE TYR 39 2.109 1.320 -12.967 275 HE2 TYR 39 1HE TYR 39 -2.053 1.863 -13.733 276 HH TYR 39 HH TYR 39 1.055 0.439 -14.706 277 H ILE 40 H ILE 40 1.439 5.122 -7.775 278 HA ILE 40 HA ILE 40 -0.555 6.008 -5.808 279 HB ILE 40 HB ILE 40 2.352 5.430 -5.260 280 HG12 ILE 40 1HG1 ILE 40 -0.072 4.581 -3.683 281 HG13 ILE 40 2HG1 ILE 40 0.529 3.640 -5.044 282 HG21 ILE 40 1HG2 ILE 40 1.969 7.568 -4.299 283 HG22 ILE 40 2HG2 ILE 40 0.400 7.074 -3.667 284 HG23 ILE 40 3HG2 ILE 40 1.878 6.393 -2.988 285 HD11 ILE 40 1HD1 ILE 40 1.609 2.585 -3.357 286 HD12 ILE 40 2HD1 ILE 40 2.797 3.844 -3.696 287 HD13 ILE 40 3HD1 ILE 40 1.677 4.028 -2.346 288 H GLN 41 H GLN 41 -1.070 7.979 -6.524 289 HA GLN 41 HA GLN 41 0.976 9.705 -7.674 290 HB2 GLN 41 1HB GLN 41 -1.062 9.655 -8.908 291 HB3 GLN 41 2HB GLN 41 -2.024 9.926 -7.461 292 HG2 GLN 41 1HG GLN 41 -2.000 11.954 -8.672 293 HG3 GLN 41 2HG GLN 41 -0.948 12.176 -7.275 294 HE21 GLN 41 1HE2 GLN 41 0.560 13.557 -7.911 295 HE22 GLN 41 2HE2 GLN 41 1.532 13.403 -9.331 296 H ALA 42 H ALA 42 1.627 11.647 -6.818 297 HA ALA 42 HA ALA 42 0.983 12.045 -3.983 298 HB1 ALA 42 1HB ALA 42 3.230 13.374 -5.466 299 HB2 ALA 42 2HB ALA 42 3.056 13.112 -3.730 300 HB3 ALA 42 3HB ALA 42 3.380 11.748 -4.800 301 H VAL 43 H VAL 43 0.240 13.982 -3.192 302 HA VAL 43 HA VAL 43 -0.385 16.077 -5.165 303 HB VAL 43 HB VAL 43 -2.204 15.027 -2.996 304 HG11 VAL 43 1HG1 VAL 43 -2.482 17.369 -2.944 305 HG12 VAL 43 2HG1 VAL 43 -2.400 17.496 -4.702 306 HG13 VAL 43 3HG1 VAL 43 -3.805 16.755 -3.935 307 HG21 VAL 43 1HG2 VAL 43 -2.621 15.197 -5.978 308 HG22 VAL 43 2HG2 VAL 43 -2.115 13.741 -5.121 309 HG23 VAL 43 3HG2 VAL 43 -3.696 14.452 -4.795 310 H ASP 44 H ASP 44 -0.122 18.164 -4.507 311 HA ASP 44 HA ASP 44 1.537 18.631 -2.236 312 HB2 ASP 44 1HB ASP 44 1.507 19.927 -4.448 313 HB3 ASP 44 2HB ASP 44 0.097 20.764 -3.805 314 H THR 45 H THR 45 0.939 20.583 -0.765 315 HA THR 45 HA THR 45 -1.323 19.780 0.775 316 HB THR 45 HB THR 45 -0.765 21.720 2.220 317 HG1 THR 45 1HG THR 45 1.530 22.190 0.666 318 HG21 THR 45 1HG2 THR 45 1.757 20.947 2.519 319 HG22 THR 45 2HG2 THR 45 1.232 19.663 1.429 320 HG23 THR 45 3HG2 THR 45 0.407 19.905 2.969 321 H SER 46 H SER 46 -1.155 21.540 -1.997 322 HA SER 46 HA SER 46 -3.409 23.285 -1.270 323 HB2 SER 46 1HB SER 46 -1.448 24.425 -2.246 324 HB3 SER 46 2HB SER 46 -1.590 23.421 -3.688 325 HG SER 46 HG SER 46 -3.135 25.573 -2.854 326 H GLY 47 H GLY 47 -2.520 20.511 -3.077 327 HA2 GLY 47 1HA GLY 47 -4.268 19.011 -3.804 328 HA3 GLY 47 2HA GLY 47 -5.241 20.418 -4.208 329 H ASN 48 H ASN 48 -1.840 19.899 -5.003 330 HA ASN 48 HA ASN 48 -2.599 19.696 -7.840 331 HB2 ASN 48 1HB ASN 48 -0.574 21.058 -8.376 332 HB3 ASN 48 2HB ASN 48 -1.809 21.949 -7.493 333 HD21 ASN 48 1HD2 ASN 48 -1.316 22.843 -5.581 334 HD22 ASN 48 2HD2 ASN 48 0.218 22.699 -4.797 335 H LYS 49 H LYS 49 -1.595 18.147 -8.989 336 HA LYS 49 HA LYS 49 -0.213 16.075 -7.727 337 HB2 LYS 49 1HB LYS 49 -0.184 16.795 -10.664 338 HB3 LYS 49 2HB LYS 49 0.255 15.235 -9.980 339 HG2 LYS 49 1HG LYS 49 -2.000 14.856 -9.252 340 HG3 LYS 49 2HG LYS 49 -2.475 16.484 -9.744 341 HD2 LYS 49 1HD LYS 49 -1.521 15.637 -12.076 342 HD3 LYS 49 2HD LYS 49 -1.953 14.068 -11.393 343 HE2 LYS 49 1HE LYS 49 -3.944 16.267 -11.215 344 HE3 LYS 49 2HE LYS 49 -3.678 15.518 -12.789 345 HZ1 LYS 49 1HZ LYS 49 -4.088 13.344 -11.696 346 HZ2 LYS 49 2HZ LYS 49 -5.435 14.367 -11.704 347 HZ3 LYS 49 3HZ LYS 49 -4.532 14.170 -10.288 348 H PHE 50 H PHE 50 1.929 15.521 -7.564 349 HA PHE 50 HA PHE 50 3.810 17.694 -7.635 350 HB2 PHE 50 1HB PHE 50 3.798 14.894 -6.640 351 HB3 PHE 50 2HB PHE 50 5.365 15.592 -7.038 352 HD1 PHE 50 1HD PHE 50 2.470 15.763 -4.813 353 HD2 PHE 50 2HD PHE 50 6.281 17.412 -5.747 354 HE1 PHE 50 1HE PHE 50 2.510 16.900 -2.631 355 HE2 PHE 50 2HE PHE 50 6.327 18.551 -3.567 356 HZ PHE 50 HZ PHE 50 4.440 18.295 -2.005 357 H THR 51 H THR 51 3.338 14.668 -9.406 358 HA THR 51 HA THR 51 4.315 13.826 -11.292 359 HB THR 51 HB THR 51 4.537 15.421 -13.168 360 HG1 THR 51 1HG THR 51 3.626 17.501 -11.509 361 HG21 THR 51 1HG2 THR 51 2.327 14.492 -12.525 362 HG22 THR 51 2HG2 THR 51 2.214 16.082 -13.280 363 HG23 THR 51 3HG2 THR 51 2.050 15.922 -11.531 364 H SER 52 H SER 52 6.121 14.712 -9.084 365 HA SER 52 HA SER 52 8.581 14.886 -10.689 366 HB2 SER 52 1HB SER 52 7.840 16.458 -8.229 367 HB3 SER 52 2HB SER 52 9.526 16.192 -8.673 368 HG SER 52 HG SER 52 9.311 17.499 -10.337 369 H SER 53 H SER 53 10.534 14.400 -9.110 370 HA SER 53 HA SER 53 9.971 11.766 -8.009 371 HB2 SER 53 1HB SER 53 11.888 12.031 -9.527 372 HB3 SER 53 2HB SER 53 12.608 13.199 -8.419 373 HG SER 53 HG SER 53 13.527 11.234 -7.980 374 HA PRO 54 HA PRO 54 9.748 13.616 -3.935 375 HB2 PRO 54 1HB PRO 54 9.062 11.316 -2.665 376 HB3 PRO 54 2HB PRO 54 7.906 12.287 -3.586 377 HG2 PRO 54 1HG PRO 54 9.374 9.810 -4.404 378 HG3 PRO 54 2HG PRO 54 7.676 10.245 -4.673 379 HD2 PRO 54 1HD PRO 54 9.568 10.501 -6.594 380 HD3 PRO 54 2HD PRO 54 8.177 11.598 -6.471 381 H GLY 55 H GLY 55 11.225 10.395 -4.407 382 HA2 GLY 55 1HA GLY 55 13.802 10.965 -3.721 383 HA3 GLY 55 2HA GLY 55 13.001 10.744 -2.172 384 H GLU 56 H GLU 56 14.582 8.972 -1.977 385 HA GLU 56 HA GLU 56 14.536 6.706 -3.640 386 HB2 GLU 56 1HB GLU 56 15.535 7.324 -0.912 387 HB3 GLU 56 2HB GLU 56 15.324 5.627 -1.316 388 HG2 GLU 56 1HG GLU 56 17.613 6.644 -1.715 389 HG3 GLU 56 2HG GLU 56 16.902 5.716 -3.033 390 H LYS 57 H LYS 57 13.390 6.697 -0.275 391 HA LYS 57 HA LYS 57 11.010 5.208 -1.155 392 HB2 LYS 57 1HB LYS 57 12.631 4.561 1.312 393 HB3 LYS 57 2HB LYS 57 11.218 3.695 0.725 394 HG2 LYS 57 1HG LYS 57 13.867 3.893 -0.694 395 HG3 LYS 57 2HG LYS 57 13.288 2.503 0.229 396 HD2 LYS 57 1HD LYS 57 11.546 2.085 -1.324 397 HD3 LYS 57 2HD LYS 57 11.788 3.641 -2.121 398 HE2 LYS 57 1HE LYS 57 13.895 1.494 -2.042 399 HE3 LYS 57 2HE LYS 57 12.694 1.609 -3.327 400 HZ1 LYS 57 1HZ LYS 57 14.708 2.707 -3.993 401 HZ2 LYS 57 2HZ LYS 57 14.702 3.674 -2.605 402 HZ3 LYS 57 3HZ LYS 57 13.498 3.870 -3.778 403 H VAL 58 H VAL 58 9.453 6.687 -0.816 404 HA VAL 58 HA VAL 58 9.389 8.058 1.790 405 HB VAL 58 HB VAL 58 7.860 9.685 0.720 406 HG11 VAL 58 1HG1 VAL 58 10.666 9.322 0.180 407 HG12 VAL 58 2HG1 VAL 58 9.880 10.188 -1.141 408 HG13 VAL 58 3HG1 VAL 58 9.770 10.804 0.509 409 HG21 VAL 58 1HG2 VAL 58 6.959 8.219 -1.019 410 HG22 VAL 58 2HG2 VAL 58 7.613 9.705 -1.709 411 HG23 VAL 58 3HG2 VAL 58 8.529 8.202 -1.822 412 H PHE 59 H PHE 59 7.444 6.272 -0.556 413 HA PHE 59 HA PHE 59 5.200 6.166 1.306 414 HB2 PHE 59 1HB PHE 59 5.530 5.232 -1.548 415 HB3 PHE 59 2HB PHE 59 4.079 4.933 -0.596 416 HD1 PHE 59 1HD PHE 59 3.513 7.353 0.766 417 HD2 PHE 59 2HD PHE 59 5.123 6.827 -3.139 418 HE1 PHE 59 1HE PHE 59 2.629 9.553 0.109 419 HE2 PHE 59 2HE PHE 59 4.242 9.027 -3.802 420 HZ PHE 59 HZ PHE 59 2.994 10.393 -2.177 421 H GLN 60 H GLN 60 4.262 4.180 1.986 422 HA GLN 60 HA GLN 60 5.919 1.786 1.698 423 HB2 GLN 60 1HB GLN 60 6.686 2.835 3.761 424 HB3 GLN 60 2HB GLN 60 5.032 2.933 4.350 425 HG2 GLN 60 1HG GLN 60 4.925 0.712 4.850 426 HG3 GLN 60 2HG GLN 60 6.098 0.264 3.613 427 HE21 GLN 60 1HE2 GLN 60 6.263 -0.804 6.113 428 HE22 GLN 60 2HE2 GLN 60 7.649 -0.177 6.932 429 H VAL 61 H VAL 61 4.817 -0.179 2.062 430 HA VAL 61 HA VAL 61 1.899 0.034 2.368 431 HB VAL 61 HB VAL 61 3.256 -1.755 0.348 432 HG11 VAL 61 1HG1 VAL 61 0.996 -2.180 -0.453 433 HG12 VAL 61 2HG1 VAL 61 1.147 -2.625 1.248 434 HG13 VAL 61 3HG1 VAL 61 0.340 -1.123 0.796 435 HG21 VAL 61 1HG2 VAL 61 3.297 -0.046 -1.067 436 HG22 VAL 61 2HG2 VAL 61 1.555 0.154 -0.880 437 HG23 VAL 61 3HG2 VAL 61 2.661 1.020 0.186 438 H LYS 62 H LYS 62 0.898 -1.661 3.413 439 HA LYS 62 HA LYS 62 2.548 -3.920 4.278 440 HB2 LYS 62 1HB LYS 62 2.757 -2.378 6.109 441 HB3 LYS 62 2HB LYS 62 1.026 -2.067 6.113 442 HG2 LYS 62 1HG LYS 62 1.366 -3.487 7.927 443 HG3 LYS 62 2HG LYS 62 0.759 -4.548 6.654 444 HD2 LYS 62 1HD LYS 62 3.107 -5.158 6.119 445 HD3 LYS 62 2HD LYS 62 3.633 -4.193 7.501 446 HE2 LYS 62 1HE LYS 62 2.027 -5.646 8.874 447 HE3 LYS 62 2HE LYS 62 2.016 -6.723 7.478 448 HZ1 LYS 62 1HZ LYS 62 4.352 -5.950 9.133 449 HZ2 LYS 62 2HZ LYS 62 4.486 -6.778 7.665 450 HZ3 LYS 62 3HZ LYS 62 3.673 -7.491 8.966 451 H VAL 63 H VAL 63 1.385 -5.791 4.813 452 HA VAL 63 HA VAL 63 -1.476 -5.717 4.104 453 HB VAL 63 HB VAL 63 0.550 -7.868 3.484 454 HG11 VAL 63 1HG1 VAL 63 -1.240 -9.180 2.566 455 HG12 VAL 63 2HG1 VAL 63 -1.635 -8.788 4.241 456 HG13 VAL 63 3HG1 VAL 63 -2.412 -7.911 2.921 457 HG21 VAL 63 1HG2 VAL 63 -0.129 -5.606 2.066 458 HG22 VAL 63 2HG2 VAL 63 0.624 -7.057 1.404 459 HG23 VAL 63 3HG2 VAL 63 -1.127 -6.860 1.330 460 H SER 64 H SER 64 -2.884 -6.742 5.429 461 HA SER 64 HA SER 64 -1.839 -8.466 7.552 462 HB2 SER 64 1HB SER 64 -3.609 -6.053 8.012 463 HB3 SER 64 2HB SER 64 -3.255 -7.279 9.229 464 HG SER 64 HG SER 64 -1.449 -5.489 7.982 465 H ALA 65 H ALA 65 -2.943 -10.297 7.537 466 HA ALA 65 HA ALA 65 -5.506 -10.464 6.203 467 HB1 ALA 65 1HB ALA 65 -3.426 -12.184 6.369 468 HB2 ALA 65 2HB ALA 65 -4.497 -12.842 7.606 469 HB3 ALA 65 3HB ALA 65 -5.072 -12.656 5.950 470 HA PRO 66 HA PRO 66 -7.733 -9.855 10.015 471 HB2 PRO 66 1HB PRO 66 -10.206 -10.187 8.945 472 HB3 PRO 66 2HB PRO 66 -9.268 -8.701 8.754 473 HG2 PRO 66 1HG PRO 66 -9.612 -10.982 6.846 474 HG3 PRO 66 2HG PRO 66 -9.634 -9.239 6.521 475 HD2 PRO 66 1HD PRO 66 -7.465 -10.785 6.033 476 HD3 PRO 66 2HD PRO 66 -7.334 -9.083 6.520 477 H GLU 67 H GLU 67 -7.862 -12.638 7.933 478 HA GLU 67 HA GLU 67 -9.337 -14.205 9.903 479 HB2 GLU 67 1HB GLU 67 -9.907 -14.456 7.521 480 HB3 GLU 67 2HB GLU 67 -8.266 -14.989 7.186 481 HG2 GLU 67 1HG GLU 67 -9.894 -16.835 7.325 482 HG3 GLU 67 2HG GLU 67 -8.576 -16.973 8.487 483 H GLU 68 H GLU 68 -6.194 -14.261 8.240 484 HA GLU 68 HA GLU 68 -5.216 -16.354 9.987 485 HB2 GLU 68 1HB GLU 68 -4.000 -14.811 7.704 486 HB3 GLU 68 2HB GLU 68 -3.048 -15.906 8.696 487 HG2 GLU 68 1HG GLU 68 -3.640 -17.234 6.913 488 HG3 GLU 68 2HG GLU 68 -4.864 -17.644 8.113 489 H GLN 69 H GLN 69 -4.289 -16.004 11.886 490 HA GLN 69 HA GLN 69 -3.982 -13.546 13.096 491 HB2 GLN 69 1HB GLN 69 -2.576 -14.685 14.752 492 HB3 GLN 69 2HB GLN 69 -3.989 -15.647 14.340 493 HG2 GLN 69 1HG GLN 69 -2.381 -16.779 12.636 494 HG3 GLN 69 2HG GLN 69 -1.122 -16.114 13.676 495 HE21 GLN 69 1HE2 GLN 69 -3.475 -18.547 13.270 496 HE22 GLN 69 2HE2 GLN 69 -3.214 -19.374 14.765 497 H PHE 70 H PHE 70 -1.570 -15.436 11.319 498 HA PHE 70 HA PHE 70 0.111 -13.020 11.211 499 HB2 PHE 70 1HB PHE 70 2.046 -14.217 11.607 500 HB3 PHE 70 2HB PHE 70 0.905 -15.099 12.617 501 HD1 PHE 70 2HD PHE 70 2.874 -15.172 9.533 502 HD2 PHE 70 1HD PHE 70 0.210 -17.330 12.054 503 HE1 PHE 70 2HE PHE 70 3.432 -17.249 8.338 504 HE2 PHE 70 1HE PHE 70 0.764 -19.411 10.864 505 HZ PHE 70 HZ PHE 70 2.376 -19.372 9.003 506 H THR 71 H THR 71 0.964 -12.468 9.257 507 HA THR 71 HA THR 71 0.326 -14.226 6.978 508 HB THR 71 HB THR 71 -1.195 -12.313 6.972 509 HG1 THR 71 1HG THR 71 0.770 -12.617 5.000 510 HG21 THR 71 1HG2 THR 71 1.339 -10.673 6.967 511 HG22 THR 71 2HG2 THR 71 0.078 -10.685 8.200 512 HG23 THR 71 3HG2 THR 71 -0.261 -10.029 6.599 513 H ARG 72 H ARG 72 1.782 -14.226 5.238 514 HA ARG 72 HA ARG 72 4.413 -13.045 5.846 515 HB2 ARG 72 1HB ARG 72 3.777 -15.637 4.426 516 HB3 ARG 72 2HB ARG 72 5.388 -14.949 4.577 517 HG2 ARG 72 1HG ARG 72 5.263 -15.155 7.000 518 HG3 ARG 72 2HG ARG 72 3.632 -15.816 6.864 519 HD2 ARG 72 1HD ARG 72 6.152 -17.042 5.747 520 HD3 ARG 72 2HD ARG 72 5.273 -17.591 7.174 521 HE ARG 72 HE ARG 72 3.386 -17.733 5.283 522 HH11 ARG 72 1HH1 ARG 72 6.686 -18.839 5.342 523 HH12 ARG 72 2HH1 ARG 72 6.394 -20.176 4.279 524 HH21 ARG 72 1HH2 ARG 72 2.989 -19.489 3.882 525 HH22 ARG 72 2HH2 ARG 72 4.291 -20.544 3.448 526 H VAL 73 H VAL 73 3.842 -11.148 4.669 527 HA VAL 73 HA VAL 73 3.912 -11.539 1.749 528 HB VAL 73 HB VAL 73 2.388 -9.400 3.243 529 HG11 VAL 73 1HG1 VAL 73 2.919 -9.837 0.320 530 HG12 VAL 73 2HG1 VAL 73 1.528 -8.912 0.889 531 HG13 VAL 73 3HG1 VAL 73 3.164 -8.378 1.279 532 HG21 VAL 73 1HG2 VAL 73 1.445 -11.755 1.612 533 HG22 VAL 73 2HG2 VAL 73 1.253 -11.531 3.351 534 HG23 VAL 73 3HG2 VAL 73 0.404 -10.471 2.226 535 H GLY 74 H GLY 74 5.788 -10.834 0.979 536 HA2 GLY 74 1HA GLY 74 7.245 -8.745 2.423 537 HA3 GLY 74 2HA GLY 74 7.903 -9.792 1.175 538 H VAL 75 H VAL 75 5.706 -7.070 1.719 539 HA VAL 75 HA VAL 75 5.532 -6.376 -1.049 540 HB VAL 75 HB VAL 75 4.893 -4.706 1.387 541 HG11 VAL 75 1HG1 VAL 75 4.674 -4.229 -1.520 542 HG12 VAL 75 2HG1 VAL 75 3.288 -3.751 -0.538 543 HG13 VAL 75 3HG1 VAL 75 4.886 -3.086 -0.194 544 HG21 VAL 75 1HG2 VAL 75 3.321 -6.310 1.631 545 HG22 VAL 75 2HG2 VAL 75 2.503 -5.399 0.361 546 HG23 VAL 75 3HG2 VAL 75 3.441 -6.836 -0.049 547 H GLN 76 H GLN 76 6.477 -4.621 -2.120 548 HA GLN 76 HA GLN 76 8.606 -3.154 -0.783 549 HB2 GLN 76 1HB GLN 76 9.636 -5.244 -1.694 550 HB3 GLN 76 2HB GLN 76 9.147 -4.730 -3.303 551 HG2 GLN 76 1HG GLN 76 10.540 -2.744 -3.106 552 HG3 GLN 76 2HG GLN 76 11.014 -3.230 -1.479 553 HE21 GLN 76 1HE2 GLN 76 12.268 -2.961 -4.340 554 HE22 GLN 76 2HE2 GLN 76 13.278 -4.360 -4.427 555 H VAL 77 H VAL 77 8.217 -1.101 -1.248 556 HA VAL 77 HA VAL 77 6.814 -0.391 -3.698 557 HB VAL 77 HB VAL 77 6.863 1.933 -2.708 558 HG11 VAL 77 1HG1 VAL 77 4.812 1.122 -2.287 559 HG12 VAL 77 2HG1 VAL 77 5.433 -0.424 -1.703 560 HG13 VAL 77 3HG1 VAL 77 5.397 0.976 -0.630 561 HG21 VAL 77 1HG2 VAL 77 7.310 1.113 -0.003 562 HG22 VAL 77 2HG2 VAL 77 8.731 0.733 -0.976 563 HG23 VAL 77 3HG2 VAL 77 8.112 2.384 -0.927 564 H LEU 78 H LEU 78 7.809 0.300 -5.468 565 HA LEU 78 HA LEU 78 10.475 1.519 -5.213 566 HB2 LEU 78 1HB LEU 78 10.507 -0.870 -6.025 567 HB3 LEU 78 2HB LEU 78 9.658 -0.305 -7.463 568 HG LEU 78 HG LEU 78 11.617 1.233 -7.871 569 HD11 LEU 78 1HD1 LEU 78 12.752 1.405 -5.863 570 HD12 LEU 78 2HD1 LEU 78 13.755 0.275 -6.772 571 HD13 LEU 78 3HD1 LEU 78 12.649 -0.325 -5.536 572 HD21 LEU 78 1HD2 LEU 78 13.020 -0.562 -8.799 573 HD22 LEU 78 2HD2 LEU 78 11.308 -0.803 -9.149 574 HD23 LEU 78 3HD2 LEU 78 12.091 -1.746 -7.880 575 H ASP 79 H ASP 79 11.036 3.033 -6.849 576 HA ASP 79 HA ASP 79 8.709 4.408 -7.942 577 HB2 ASP 79 1HB ASP 79 10.757 5.459 -6.653 578 HB3 ASP 79 2HB ASP 79 11.499 5.439 -8.251 579 H ARG 80 H ARG 80 8.055 3.513 -9.814 580 HA ARG 80 HA ARG 80 10.064 2.823 -11.834 581 HB2 ARG 80 1HB ARG 80 8.317 1.570 -12.940 582 HB3 ARG 80 2HB ARG 80 8.362 1.122 -11.240 583 HG2 ARG 80 1HG ARG 80 6.352 2.133 -10.777 584 HG3 ARG 80 2HG ARG 80 6.481 3.251 -12.136 585 HD2 ARG 80 1HD ARG 80 6.307 0.346 -12.731 586 HD3 ARG 80 2HD ARG 80 4.846 1.162 -12.176 587 HE ARG 80 HE ARG 80 5.690 2.788 -14.137 588 HH11 ARG 80 1HH1 ARG 80 5.245 -0.662 -13.997 589 HH12 ARG 80 2HH1 ARG 80 4.863 -0.813 -15.680 590 HH21 ARG 80 1HH2 ARG 80 5.188 2.603 -16.354 591 HH22 ARG 80 2HH2 ARG 80 4.832 1.045 -17.020 592 H LYS 81 H LYS 81 7.348 4.944 -11.220 593 HA LYS 81 HA LYS 81 7.656 6.136 -13.888 594 HB2 LYS 81 1HB LYS 81 5.388 5.547 -13.479 595 HB3 LYS 81 2HB LYS 81 5.424 6.240 -11.863 596 HG2 LYS 81 1HG LYS 81 4.199 7.745 -13.187 597 HG3 LYS 81 2HG LYS 81 5.789 8.481 -12.971 598 HD2 LYS 81 1HD LYS 81 6.457 7.613 -15.182 599 HD3 LYS 81 2HD LYS 81 4.832 6.957 -15.395 600 HE2 LYS 81 1HE LYS 81 5.344 9.870 -14.852 601 HE3 LYS 81 2HE LYS 81 5.321 9.203 -16.484 602 HZ1 LYS 81 1HZ LYS 81 3.052 8.596 -14.747 603 HZ2 LYS 81 2HZ LYS 81 3.093 8.866 -16.416 604 HZ3 LYS 81 3HZ LYS 81 3.168 10.174 -15.346 605 H ASP 82 H ASP 82 7.784 8.426 -14.105 606 HA ASP 82 HA ASP 82 9.680 9.748 -12.743 607 HB2 ASP 82 1HB ASP 82 7.233 10.710 -14.156 608 HB3 ASP 82 2HB ASP 82 8.183 11.882 -13.247 609 H GLY 83 H GLY 83 6.307 10.669 -12.073 610 HA2 GLY 83 1HA GLY 83 7.100 11.070 -9.258 611 HA3 GLY 83 2HA GLY 83 5.841 11.981 -10.080 612 H SER 84 H SER 84 6.442 8.482 -9.969 613 HA SER 84 HA SER 84 4.161 8.036 -8.256 614 HB2 SER 84 1HB SER 84 4.039 7.597 -11.202 615 HB3 SER 84 2HB SER 84 3.282 6.391 -10.162 616 HG SER 84 HG SER 84 2.729 9.033 -9.549 617 H PHE 85 H PHE 85 4.163 6.017 -7.315 618 HA PHE 85 HA PHE 85 6.494 4.335 -7.954 619 HB2 PHE 85 1HB PHE 85 5.069 4.880 -5.357 620 HB3 PHE 85 2HB PHE 85 6.130 3.489 -5.556 621 HD1 PHE 85 2HD PHE 85 6.281 7.108 -6.470 622 HD2 PHE 85 1HD PHE 85 8.190 3.787 -4.614 623 HE1 PHE 85 2HE PHE 85 8.224 8.523 -5.945 624 HE2 PHE 85 1HE PHE 85 10.136 5.197 -4.086 625 HZ PHE 85 HZ PHE 85 10.155 7.568 -4.752 626 H ILE 86 H ILE 86 6.245 2.019 -7.669 627 HA ILE 86 HA ILE 86 3.469 1.105 -8.050 628 HB ILE 86 HB ILE 86 4.656 1.037 -10.188 629 HG12 ILE 86 1HG1 ILE 86 4.241 -1.718 -9.005 630 HG13 ILE 86 2HG1 ILE 86 2.974 -0.693 -9.671 631 HG21 ILE 86 1HG2 ILE 86 6.903 0.603 -8.869 632 HG22 ILE 86 2HG2 ILE 86 6.503 -1.078 -9.219 633 HG23 ILE 86 3HG2 ILE 86 6.696 0.075 -10.539 634 HD11 ILE 86 1HD1 ILE 86 5.160 -2.151 -11.087 635 HD12 ILE 86 2HD1 ILE 86 3.422 -2.164 -11.391 636 HD13 ILE 86 3HD1 ILE 86 4.384 -0.752 -11.828 637 H VAL 87 H VAL 87 2.824 -0.428 -6.687 638 HA VAL 87 HA VAL 87 4.721 -1.560 -4.814 639 HB VAL 87 HB VAL 87 1.731 -1.947 -5.020 640 HG11 VAL 87 1HG1 VAL 87 2.184 -3.702 -3.689 641 HG12 VAL 87 2HG1 VAL 87 3.795 -3.109 -3.279 642 HG13 VAL 87 3HG1 VAL 87 2.379 -2.471 -2.442 643 HG21 VAL 87 1HG2 VAL 87 1.710 0.182 -4.309 644 HG22 VAL 87 2HG2 VAL 87 2.190 -0.502 -2.756 645 HG23 VAL 87 3HG2 VAL 87 3.412 0.149 -3.848 646 H ARG 88 H ARG 88 5.415 -3.629 -4.733 647 HA ARG 88 HA ARG 88 4.221 -5.591 -6.555 648 HB2 ARG 88 1HB ARG 88 7.096 -4.730 -6.463 649 HB3 ARG 88 2HB ARG 88 6.667 -6.355 -6.977 650 HG2 ARG 88 1HG ARG 88 6.709 -5.315 -8.996 651 HG3 ARG 88 2HG ARG 88 5.020 -5.041 -8.565 652 HD2 ARG 88 1HD ARG 88 5.866 -2.966 -9.336 653 HD3 ARG 88 2HD ARG 88 5.746 -2.840 -7.581 654 HE ARG 88 HE ARG 88 8.001 -2.526 -7.513 655 HH11 ARG 88 1HH1 ARG 88 7.191 -4.082 -10.520 656 HH12 ARG 88 2HH1 ARG 88 8.805 -4.006 -11.145 657 HH21 ARG 88 1HH2 ARG 88 10.131 -2.421 -8.324 658 HH22 ARG 88 2HH2 ARG 88 10.477 -3.062 -9.894 659 H TYR 89 H TYR 89 3.533 -7.168 -5.271 660 HA TYR 89 HA TYR 89 5.394 -8.325 -3.339 661 HB2 TYR 89 1HB TYR 89 3.855 -8.296 -1.525 662 HB3 TYR 89 2HB TYR 89 3.892 -6.657 -2.166 663 HD1 TYR 89 1HD TYR 89 1.999 -5.856 -3.592 664 HD2 TYR 89 2HD TYR 89 1.849 -9.562 -1.507 665 HE1 TYR 89 1HE TYR 89 -0.446 -5.899 -3.856 666 HE2 TYR 89 2HE TYR 89 -0.596 -9.616 -1.767 667 HH TYR 89 HH TYR 89 -2.328 -6.984 -3.410 668 H ARG 90 H ARG 90 4.913 -10.499 -2.763 669 HA ARG 90 HA ARG 90 2.753 -11.828 -4.199 670 HB2 ARG 90 1HB ARG 90 4.295 -13.535 -5.119 671 HB3 ARG 90 2HB ARG 90 4.568 -11.934 -5.795 672 HG2 ARG 90 1HG ARG 90 6.718 -12.536 -5.403 673 HG3 ARG 90 2HG ARG 90 6.344 -11.812 -3.838 674 HD2 ARG 90 1HD ARG 90 6.111 -13.885 -2.799 675 HD3 ARG 90 2HD ARG 90 5.890 -14.732 -4.330 676 HE ARG 90 HE ARG 90 8.475 -13.514 -4.066 677 HH11 ARG 90 1HH1 ARG 90 6.559 -16.325 -3.328 678 HH12 ARG 90 2HH1 ARG 90 7.925 -17.383 -3.199 679 HH21 ARG 90 1HH2 ARG 90 10.281 -14.896 -3.898 680 HH22 ARG 90 2HH2 ARG 90 10.042 -16.569 -3.522 681 H MET 91 H MET 91 2.100 -13.764 -3.279 682 HA MET 91 HA MET 91 3.443 -14.492 -0.759 683 HB2 MET 91 1HB MET 91 1.244 -13.348 -0.440 684 HB3 MET 91 2HB MET 91 0.478 -14.664 -1.320 685 HG2 MET 91 1HG MET 91 0.765 -16.161 0.386 686 HG3 MET 91 2HG MET 91 2.165 -15.314 1.039 687 HE1 MET 91 1HE MET 91 -1.991 -15.468 1.690 688 HE2 MET 91 2HE MET 91 -2.087 -13.788 1.160 689 HE3 MET 91 3HE MET 91 -1.389 -15.011 0.096 690 H TYR 92 H TYR 92 1.494 -15.643 -3.478 691 HA TYR 92 HA TYR 92 1.278 -17.687 -4.453 692 HB2 TYR 92 1HB TYR 92 4.064 -17.783 -3.348 693 HB3 TYR 92 2HB TYR 92 3.376 -19.210 -4.115 694 HD1 TYR 92 1HD TYR 92 3.968 -15.579 -4.732 695 HD2 TYR 92 2HD TYR 92 3.544 -19.462 -6.419 696 HE1 TYR 92 1HE TYR 92 4.586 -14.682 -6.937 697 HE2 TYR 92 2HE TYR 92 4.162 -18.576 -8.628 698 HH TYR 92 HH TYR 92 5.712 -16.055 -9.231 699 H ALA 93 H ALA 93 -0.089 -17.471 -2.102 700 HA ALA 93 HA ALA 93 -0.262 -20.230 -1.294 701 HB1 ALA 93 1HB ALA 93 0.482 -20.136 0.838 702 HB2 ALA 93 2HB ALA 93 1.483 -18.837 0.186 703 HB3 ALA 93 3HB ALA 93 -0.005 -18.454 1.051 704 H SER 94 H SER 94 -2.325 -20.745 -0.899 705 HA SER 94 HA SER 94 -4.495 -19.311 -1.477 706 HB2 SER 94 1HB SER 94 -4.059 -21.461 0.544 707 HB3 SER 94 2HB SER 94 -5.616 -20.632 0.544 708 HG SER 94 HG SER 94 -5.615 -22.467 -0.826 709 H TYR 95 H TYR 95 -5.568 -17.578 -0.771 710 HA TYR 95 HA TYR 95 -4.990 -16.587 1.942 711 HB2 TYR 95 1HB TYR 95 -5.353 -14.264 0.880 712 HB3 TYR 95 2HB TYR 95 -3.817 -15.073 0.591 713 HD1 TYR 95 2HD TYR 95 -3.371 -16.123 -1.614 714 HD2 TYR 95 1HD TYR 95 -6.856 -13.786 -0.910 715 HE1 TYR 95 2HE TYR 95 -3.707 -15.902 -4.041 716 HE2 TYR 95 1HE TYR 95 -7.202 -13.560 -3.334 717 HH TYR 95 HH TYR 95 -4.821 -14.437 -5.620 718 H LYS 96 H LYS 96 -6.679 -15.626 3.057 719 HA LYS 96 HA LYS 96 -9.340 -16.248 2.006 720 HB2 LYS 96 1HB LYS 96 -8.419 -16.968 4.342 721 HB3 LYS 96 2HB LYS 96 -8.807 -15.316 4.807 722 HG2 LYS 96 1HG LYS 96 -10.880 -16.975 3.453 723 HG3 LYS 96 2HG LYS 96 -10.534 -17.236 5.164 724 HD2 LYS 96 1HD LYS 96 -10.950 -14.844 5.587 725 HD3 LYS 96 2HD LYS 96 -11.354 -14.629 3.882 726 HE2 LYS 96 1HE LYS 96 -12.787 -16.499 5.765 727 HE3 LYS 96 2HE LYS 96 -13.338 -14.876 5.354 728 HZ1 LYS 96 1HZ LYS 96 -13.986 -17.148 4.024 729 HZ2 LYS 96 2HZ LYS 96 -12.769 -16.490 3.051 730 HZ3 LYS 96 3HZ LYS 96 -14.145 -15.577 3.415 731 H ASN 97 H ASN 97 -7.684 -13.605 3.735 732 HA ASN 97 HA ASN 97 -9.243 -11.678 2.194 733 HB2 ASN 97 1HB ASN 97 -9.414 -12.076 5.142 734 HB3 ASN 97 2HB ASN 97 -9.430 -10.421 4.539 735 HD21 ASN 97 1HD2 ASN 97 -11.590 -10.535 5.569 736 HD22 ASN 97 2HD2 ASN 97 -12.913 -11.085 4.602 737 H LEU 98 H LEU 98 -7.980 -10.092 1.479 738 HA LEU 98 HA LEU 98 -5.386 -9.676 2.805 739 HB2 LEU 98 1HB LEU 98 -6.260 -9.655 -0.026 740 HB3 LEU 98 2HB LEU 98 -5.010 -8.503 0.439 741 HG LEU 98 HG LEU 98 -4.397 -10.873 -0.515 742 HD11 LEU 98 1HD1 LEU 98 -2.719 -9.304 0.066 743 HD12 LEU 98 2HD1 LEU 98 -2.319 -10.807 0.898 744 HD13 LEU 98 3HD1 LEU 98 -3.058 -9.476 1.789 745 HD21 LEU 98 1HD2 LEU 98 -4.073 -12.558 1.141 746 HD22 LEU 98 2HD2 LEU 98 -5.755 -12.036 1.236 747 HD23 LEU 98 3HD2 LEU 98 -4.586 -11.471 2.431 748 H LYS 99 H LYS 99 -5.007 -7.784 3.750 749 HA LYS 99 HA LYS 99 -6.794 -5.528 3.116 750 HB2 LYS 99 1HB LYS 99 -7.072 -6.401 5.403 751 HB3 LYS 99 2HB LYS 99 -5.363 -6.125 5.712 752 HG2 LYS 99 1HG LYS 99 -5.974 -3.663 5.018 753 HG3 LYS 99 2HG LYS 99 -7.594 -4.174 5.496 754 HD2 LYS 99 1HD LYS 99 -5.158 -4.494 7.242 755 HD3 LYS 99 2HD LYS 99 -6.235 -3.097 7.314 756 HE2 LYS 99 1HE LYS 99 -8.115 -4.602 7.819 757 HE3 LYS 99 2HE LYS 99 -7.009 -5.974 7.791 758 HZ1 LYS 99 1HZ LYS 99 -7.414 -3.969 9.839 759 HZ2 LYS 99 2HZ LYS 99 -5.795 -4.353 9.535 760 HZ3 LYS 99 3HZ LYS 99 -6.884 -5.569 9.979 761 H VAL 100 H VAL 100 -5.851 -3.906 2.085 762 HA VAL 100 HA VAL 100 -2.949 -3.688 2.061 763 HB VAL 100 HB VAL 100 -4.940 -1.988 0.559 764 HG11 VAL 100 1HG1 VAL 100 -2.661 -1.079 0.759 765 HG12 VAL 100 2HG1 VAL 100 -2.024 -2.558 0.035 766 HG13 VAL 100 3HG1 VAL 100 -3.072 -1.495 -0.905 767 HG21 VAL 100 1HG2 VAL 100 -3.656 -4.605 -0.196 768 HG22 VAL 100 2HG2 VAL 100 -5.377 -4.228 -0.107 769 HG23 VAL 100 3HG2 VAL 100 -4.381 -3.506 -1.370 770 H GLU 101 H GLU 101 -1.783 -2.016 2.890 771 HA GLU 101 HA GLU 101 -3.238 0.187 4.172 772 HB2 GLU 101 1HB GLU 101 -1.345 -1.740 5.455 773 HB3 GLU 101 2HB GLU 101 -1.376 -0.074 6.016 774 HG2 GLU 101 1HG GLU 101 -3.745 -0.268 6.519 775 HG3 GLU 101 2HG GLU 101 -3.747 -1.925 5.918 776 H ILE 102 H ILE 102 -2.339 2.138 3.873 777 HA ILE 102 HA ILE 102 0.456 2.285 2.984 778 HB ILE 102 HB ILE 102 -1.763 3.868 1.690 779 HG12 ILE 102 1HG1 ILE 102 -0.919 2.323 -0.309 780 HG13 ILE 102 2HG1 ILE 102 -0.553 1.227 1.019 781 HG21 ILE 102 1HG2 ILE 102 0.102 5.140 1.342 782 HG22 ILE 102 2HG2 ILE 102 1.193 3.756 1.404 783 HG23 ILE 102 3HG2 ILE 102 0.222 4.050 -0.038 784 HD11 ILE 102 1HD1 ILE 102 -3.246 2.437 0.440 785 HD12 ILE 102 2HD1 ILE 102 -2.746 0.790 0.055 786 HD13 ILE 102 3HD1 ILE 102 -2.871 1.303 1.737 787 H LYS 103 H LYS 103 1.429 3.407 4.540 788 HA LYS 103 HA LYS 103 0.215 5.951 5.378 789 HB2 LYS 103 1HB LYS 103 1.655 4.032 7.218 790 HB3 LYS 103 2HB LYS 103 0.956 5.581 7.669 791 HG2 LYS 103 1HG LYS 103 -0.681 4.160 8.378 792 HG3 LYS 103 2HG LYS 103 -1.247 4.504 6.741 793 HD2 LYS 103 1HD LYS 103 -1.406 2.222 6.741 794 HD3 LYS 103 2HD LYS 103 0.250 2.408 6.158 795 HE2 LYS 103 1HE LYS 103 -0.192 2.245 9.093 796 HE3 LYS 103 2HE LYS 103 -0.368 0.767 8.148 797 HZ1 LYS 103 1HZ LYS 103 1.824 0.579 8.226 798 HZ2 LYS 103 2HZ LYS 103 2.001 2.098 8.949 799 HZ3 LYS 103 3HZ LYS 103 1.955 1.964 7.263 800 H PHE 104 H PHE 104 1.801 7.477 6.308 801 HA PHE 104 HA PHE 104 4.577 6.998 5.546 802 HB2 PHE 104 1HB PHE 104 4.063 8.054 3.567 803 HB3 PHE 104 2HB PHE 104 2.760 8.996 4.284 804 HD1 PHE 104 1HD PHE 104 6.451 8.705 4.111 805 HD2 PHE 104 2HD PHE 104 3.109 11.204 4.949 806 HE1 PHE 104 1HE PHE 104 7.948 10.651 4.261 807 HE2 PHE 104 2HE PHE 104 4.601 13.155 5.098 808 HZ PHE 104 HZ PHE 104 7.024 12.880 4.754 809 H GLN 105 H GLN 105 5.744 7.477 7.274 810 HA GLN 105 HA GLN 105 6.484 8.457 9.189 811 HB2 GLN 105 1HB GLN 105 5.140 10.861 7.946 812 HB3 GLN 105 2HB GLN 105 6.191 10.932 9.354 813 HG2 GLN 105 1HG GLN 105 7.235 9.645 6.892 814 HG3 GLN 105 2HG GLN 105 7.083 11.401 6.920 815 HE21 GLN 105 1HE2 GLN 105 9.506 9.940 6.728 816 HE22 GLN 105 2HE2 GLN 105 10.450 10.303 8.128 817 H GLY 106 H GLY 106 3.831 7.184 9.139 818 HA2 GLY 106 1HA GLY 106 2.336 6.725 10.861 819 HA3 GLY 106 2HA GLY 106 2.944 8.129 11.725 820 H GLN 107 H GLN 107 1.807 8.267 8.417 821 HA GLN 107 HA GLN 107 -0.742 9.408 9.267 822 HB2 GLN 107 1HB GLN 107 1.328 10.870 7.631 823 HB3 GLN 107 2HB GLN 107 -0.368 11.335 7.659 824 HG2 GLN 107 1HG GLN 107 -0.277 11.901 9.946 825 HG3 GLN 107 2HG GLN 107 1.292 11.124 10.150 826 HE21 GLN 107 1HE2 GLN 107 3.143 12.145 9.350 827 HE22 GLN 107 2HE2 GLN 107 3.161 13.832 8.977 828 H HIS 108 H HIS 108 -2.244 8.369 8.152 829 HA HIS 108 HA HIS 108 -1.792 6.750 5.931 830 HB2 HIS 108 1HB HIS 108 -4.290 8.006 7.047 831 HB3 HIS 108 2HB HIS 108 -4.336 6.980 5.616 832 HD1 HIS 108 1HD HIS 108 -4.044 4.461 5.956 833 HD2 HIS 108 2HD HIS 108 -3.711 6.663 9.464 834 HE1 HIS 108 1HE HIS 108 -4.100 2.772 7.818 835 HE2 HIS 108 2HE HIS 108 -3.983 4.134 9.934 836 H VAL 109 H VAL 109 -2.456 6.983 3.725 837 HA VAL 109 HA VAL 109 -2.301 9.771 2.786 838 HB VAL 109 HB VAL 109 -1.535 7.269 1.276 839 HG11 VAL 109 1HG1 VAL 109 -1.085 8.550 -0.533 840 HG12 VAL 109 2HG1 VAL 109 -2.312 9.595 0.185 841 HG13 VAL 109 3HG1 VAL 109 -0.600 9.941 0.436 842 HG21 VAL 109 1HG2 VAL 109 0.795 8.347 1.534 843 HG22 VAL 109 2HG2 VAL 109 0.070 9.228 2.879 844 HG23 VAL 109 3HG2 VAL 109 0.118 7.465 2.903 845 H ALA 110 H ALA 110 -4.013 6.732 2.519 846 HA ALA 110 HA ALA 110 -6.072 8.100 0.914 847 HB1 ALA 110 1HB ALA 110 -5.766 5.160 0.643 848 HB2 ALA 110 2HB ALA 110 -6.294 6.359 -0.538 849 HB3 ALA 110 3HB ALA 110 -4.580 6.190 -0.159 850 H LYS 111 H LYS 111 -8.075 6.331 0.941 851 HA LYS 111 HA LYS 111 -9.306 6.666 3.394 852 HB2 LYS 111 1HB LYS 111 -9.789 4.820 1.087 853 HB3 LYS 111 2HB LYS 111 -10.731 4.624 2.560 854 HG2 LYS 111 1HG LYS 111 -10.533 7.322 1.312 855 HG3 LYS 111 2HG LYS 111 -11.607 6.113 0.603 856 HD2 LYS 111 1HD LYS 111 -12.988 7.243 2.098 857 HD3 LYS 111 2HD LYS 111 -12.492 5.814 3.009 858 HE2 LYS 111 1HE LYS 111 -11.132 7.015 4.414 859 HE3 LYS 111 2HE LYS 111 -10.847 8.287 3.227 860 HZ1 LYS 111 1HZ LYS 111 -12.688 9.403 3.847 861 HZ2 LYS 111 2HZ LYS 111 -12.450 8.587 5.309 862 HZ3 LYS 111 3HZ LYS 111 -13.578 8.006 4.190 863 H SER 112 H SER 112 -6.834 4.507 2.585 864 HA SER 112 HA SER 112 -7.148 2.178 3.847 865 HB2 SER 112 1HB SER 112 -4.979 2.379 3.149 866 HB3 SER 112 2HB SER 112 -4.846 4.050 3.697 867 HG SER 112 HG SER 112 -3.919 1.921 4.897 868 HA PRO 113 HA PRO 113 -5.851 0.825 5.304 869 HB2 PRO 113 1HB PRO 113 -7.103 -1.008 6.867 870 HB3 PRO 113 2HB PRO 113 -5.654 -0.136 7.382 871 HG2 PRO 113 1HG PRO 113 -8.523 0.400 8.046 872 HG3 PRO 113 2HG PRO 113 -7.104 0.433 9.108 873 HD2 PRO 113 1HD PRO 113 -8.214 2.683 8.090 874 HD3 PRO 113 2HD PRO 113 -6.474 2.537 8.411 875 H TYR 114 H TYR 114 -6.597 -0.416 3.664 876 HA TYR 114 HA TYR 114 -9.413 -0.150 2.961 877 HB2 TYR 114 1HB TYR 114 -6.951 -1.001 1.464 878 HB3 TYR 114 2HB TYR 114 -8.554 -1.348 0.825 879 HD1 TYR 114 1HD TYR 114 -10.169 0.695 0.639 880 HD2 TYR 114 2HD TYR 114 -5.939 1.026 0.964 881 HE1 TYR 114 1HE TYR 114 -10.278 2.955 -0.326 882 HE2 TYR 114 2HE TYR 114 -6.037 3.288 0.001 883 HH TYR 114 HH TYR 114 -7.432 4.683 -1.283 884 H ILE 115 H ILE 115 -10.860 -1.742 3.119 885 HA ILE 115 HA ILE 115 -9.881 -4.418 3.867 886 HB ILE 115 HB ILE 115 -12.631 -3.296 4.399 887 HG12 ILE 115 1HG1 ILE 115 -10.895 -1.998 5.590 888 HG13 ILE 115 2HG1 ILE 115 -11.908 -2.920 6.696 889 HG21 ILE 115 1HG2 ILE 115 -12.509 -5.178 6.159 890 HG22 ILE 115 2HG2 ILE 115 -12.800 -5.611 4.475 891 HG23 ILE 115 3HG2 ILE 115 -11.191 -5.805 5.170 892 HD11 ILE 115 1HD1 ILE 115 -10.168 -4.045 7.489 893 HD12 ILE 115 2HD1 ILE 115 -9.554 -4.393 5.872 894 HD13 ILE 115 3HD1 ILE 115 -9.159 -2.863 6.655 895 H LEU 116 H LEU 116 -9.863 -5.698 2.133 896 HA LEU 116 HA LEU 116 -12.292 -5.808 0.478 897 HB2 LEU 116 1HB LEU 116 -9.512 -6.158 -0.616 898 HB3 LEU 116 2HB LEU 116 -11.022 -6.050 -1.518 899 HG LEU 116 HG LEU 116 -11.075 -3.646 -0.372 900 HD11 LEU 116 1HD1 LEU 116 -8.308 -4.597 -0.078 901 HD12 LEU 116 2HD1 LEU 116 -9.182 -3.344 0.803 902 HD13 LEU 116 3HD1 LEU 116 -8.488 -2.989 -0.780 903 HD21 LEU 116 1HD2 LEU 116 -11.065 -3.146 -2.531 904 HD22 LEU 116 2HD2 LEU 116 -10.368 -4.721 -2.910 905 HD23 LEU 116 3HD2 LEU 116 -9.313 -3.349 -2.568 906 H LYS 117 H LYS 117 -13.147 -7.774 0.378 907 HA LYS 117 HA LYS 117 -11.400 -10.098 0.844 908 HB2 LYS 117 1HB LYS 117 -13.294 -11.179 2.025 909 HB3 LYS 117 2HB LYS 117 -12.700 -9.744 2.851 910 HG2 LYS 117 1HG LYS 117 -14.621 -8.590 1.439 911 HG3 LYS 117 2HG LYS 117 -15.292 -10.222 1.495 912 HD2 LYS 117 1HD LYS 117 -16.189 -9.385 3.419 913 HD3 LYS 117 2HD LYS 117 -14.661 -9.993 4.059 914 HE2 LYS 117 1HE LYS 117 -14.716 -7.868 4.946 915 HE3 LYS 117 2HE LYS 117 -13.789 -7.607 3.469 916 HZ1 LYS 117 1HZ LYS 117 -16.539 -7.333 2.919 917 HZ2 LYS 117 2HZ LYS 117 -15.311 -6.179 2.775 918 HZ3 LYS 117 3HZ LYS 117 -16.142 -6.351 4.238 919 H GLY 118 H GLY 118 -14.342 -8.850 -0.655 920 HA2 GLY 118 1HA GLY 118 -14.353 -9.660 -3.104 921 HA3 GLY 118 2HA GLY 118 -14.459 -11.248 -2.359 922 H SER 119 H SER 119 -16.133 -8.262 -3.019 923 HA SER 119 HA SER 119 -18.559 -9.075 -1.692 924 HB2 SER 119 1HB SER 119 -17.841 -6.677 -1.951 925 HB3 SER 119 2HB SER 119 -18.192 -6.818 -3.674 926 HG SER 119 HG SER 119 -19.965 -6.905 -1.486 927 H GLY 120 H GLY 120 -18.709 -11.155 -2.839 928 HA2 GLY 120 1HA GLY 120 -20.045 -12.403 -4.267 929 HA3 GLY 120 2HA GLY 120 -20.514 -10.916 -5.077 930 HA PRO 121 HA PRO 121 -17.511 -13.450 -7.687 931 HB2 PRO 121 1HB PRO 121 -19.226 -13.986 -9.722 932 HB3 PRO 121 2HB PRO 121 -19.047 -15.040 -8.315 933 HG2 PRO 121 1HG PRO 121 -21.142 -12.979 -8.883 934 HG3 PRO 121 2HG PRO 121 -21.329 -14.609 -8.210 935 HD2 PRO 121 1HD PRO 121 -21.334 -12.385 -6.665 936 HD3 PRO 121 2HD PRO 121 -20.703 -13.943 -6.094 937 H SER 122 H SER 122 -16.901 -12.952 -9.978 938 HA SER 122 HA SER 122 -16.628 -10.174 -10.341 939 HB2 SER 122 1HB SER 122 -15.020 -11.841 -11.219 940 HB3 SER 122 2HB SER 122 -16.231 -12.372 -12.386 941 HG SER 122 HG SER 122 -15.634 -9.653 -12.309 942 H SER 123 H SER 123 -18.423 -8.975 -10.619 943 HA SER 123 HA SER 123 -20.185 -9.689 -12.872 944 HB2 SER 123 1HB SER 123 -22.011 -8.512 -11.625 945 HB3 SER 123 2HB SER 123 -21.429 -9.969 -10.820 946 HG SER 123 HG SER 123 -21.479 -7.455 -9.904 947 H GLY 124 H GLY 124 -21.153 -7.896 -14.013 948 HA2 GLY 124 1HA GLY 124 -20.751 -6.010 -15.298 949 HA3 GLY 124 2HA GLY 124 -20.855 -5.233 -13.725 Start of MODEL 13 1 H1 GLY 1 H GLY 1 19.801 14.224 11.280 2 HA2 GLY 1 1HA GLY 1 21.210 12.830 13.473 3 HA3 GLY 1 2HA GLY 1 22.018 13.893 12.329 4 H SER 2 H SER 2 22.422 15.874 13.028 5 HA SER 2 HA SER 2 20.918 16.871 15.344 6 HB2 SER 2 1HB SER 2 23.654 17.507 14.251 7 HB3 SER 2 2HB SER 2 22.864 18.549 15.435 8 HG SER 2 HG SER 2 24.161 16.229 15.825 9 H SER 3 H SER 3 19.310 18.210 14.889 10 HA SER 3 HA SER 3 19.744 20.322 12.905 11 HB2 SER 3 1HB SER 3 17.429 19.983 12.037 12 HB3 SER 3 2HB SER 3 18.501 18.624 11.698 13 HG SER 3 HG SER 3 16.189 18.513 12.877 14 H GLY 4 H GLY 4 18.600 22.235 13.282 15 HA2 GLY 4 1HA GLY 4 16.814 22.375 15.578 16 HA3 GLY 4 2HA GLY 4 18.330 23.251 15.729 17 H SER 5 H SER 5 15.502 22.908 13.607 18 HA SER 5 HA SER 5 14.295 24.442 12.437 19 HB2 SER 5 1HB SER 5 14.662 25.666 14.755 20 HB3 SER 5 2HB SER 5 15.670 26.734 13.778 21 HG SER 5 HG SER 5 12.982 26.607 13.940 22 H SER 6 H SER 6 16.770 23.491 11.400 23 HA SER 6 HA SER 6 17.911 25.810 10.025 24 HB2 SER 6 1HB SER 6 19.281 23.879 11.136 25 HB3 SER 6 2HB SER 6 18.896 22.999 9.657 26 HG SER 6 HG SER 6 19.878 24.678 8.479 27 H GLY 7 H GLY 7 17.635 26.201 7.897 28 HA2 GLY 7 1HA GLY 7 17.149 24.485 5.832 29 HA3 GLY 7 2HA GLY 7 15.557 24.770 6.518 30 H GLU 8 H GLU 8 16.397 25.470 3.881 31 HA GLU 8 HA GLU 8 17.096 28.190 3.655 32 HB2 GLU 8 1HB GLU 8 16.418 28.010 1.343 33 HB3 GLU 8 2HB GLU 8 17.271 26.546 1.810 34 HG2 GLU 8 1HG GLU 8 15.092 25.425 2.126 35 HG3 GLU 8 2HG GLU 8 14.293 26.881 1.535 36 H THR 9 H THR 9 15.963 29.973 4.022 37 HA THR 9 HA THR 9 13.242 29.841 4.888 38 HB THR 9 HB THR 9 14.841 32.321 4.236 39 HG1 THR 9 1HG THR 9 14.923 30.551 6.394 40 HG21 THR 9 1HG2 THR 9 13.108 32.703 6.419 41 HG22 THR 9 2HG2 THR 9 12.165 31.874 5.180 42 HG23 THR 9 3HG2 THR 9 12.973 33.395 4.804 43 H GLY 10 H GLY 10 11.606 29.582 3.512 44 HA2 GLY 10 1HA GLY 10 11.214 31.450 1.362 45 HA3 GLY 10 2HA GLY 10 11.575 29.827 0.795 46 H GLY 11 H GLY 11 9.735 28.954 0.096 47 HA2 GLY 11 1HA GLY 11 7.577 28.522 1.950 48 HA3 GLY 11 2HA GLY 11 7.159 29.639 0.659 49 H GLU 12 H GLU 12 9.186 26.726 0.570 50 HA GLU 12 HA GLU 12 8.264 25.798 -1.870 51 HB2 GLU 12 1HB GLU 12 9.437 24.329 0.487 52 HB3 GLU 12 2HB GLU 12 9.066 23.527 -1.033 53 HG2 GLU 12 1HG GLU 12 10.746 24.589 -2.169 54 HG3 GLU 12 2HG GLU 12 10.757 25.973 -1.077 55 H ARG 13 H ARG 13 6.976 23.850 -2.330 56 HA ARG 13 HA ARG 13 4.390 24.055 -1.187 57 HB2 ARG 13 1HB ARG 13 3.806 22.182 -2.645 58 HB3 ARG 13 2HB ARG 13 4.744 23.386 -3.518 59 HG2 ARG 13 1HG ARG 13 6.773 21.929 -3.014 60 HG3 ARG 13 2HG ARG 13 5.611 20.683 -2.555 61 HD2 ARG 13 1HD ARG 13 4.558 20.942 -4.801 62 HD3 ARG 13 2HD ARG 13 5.870 22.037 -5.236 63 HE ARG 13 HE ARG 13 6.835 19.527 -4.282 64 HH11 ARG 13 1HH1 ARG 13 5.521 21.155 -7.064 65 HH12 ARG 13 2HH1 ARG 13 6.265 20.085 -8.205 66 HH21 ARG 13 1HH2 ARG 13 7.820 18.111 -5.774 67 HH22 ARG 13 2HH2 ARG 13 7.572 18.353 -7.470 68 H GLN 14 H GLN 14 3.199 22.432 -0.054 69 HA GLN 14 HA GLN 14 4.912 20.744 1.645 70 HB2 GLN 14 1HB GLN 14 2.407 22.285 2.187 71 HB3 GLN 14 2HB GLN 14 2.741 20.839 3.130 72 HG2 GLN 14 1HG GLN 14 4.852 22.922 2.859 73 HG3 GLN 14 2HG GLN 14 3.508 23.183 3.970 74 HE21 GLN 14 1HE2 GLN 14 6.571 22.178 3.846 75 HE22 GLN 14 2HE2 GLN 14 6.593 21.061 5.164 76 H LEU 15 H LEU 15 4.871 18.703 0.973 77 HA LEU 15 HA LEU 15 2.871 17.555 -0.628 78 HB2 LEU 15 1HB LEU 15 4.867 16.442 -0.787 79 HB3 LEU 15 2HB LEU 15 5.177 16.529 0.946 80 HG LEU 15 HG LEU 15 3.513 14.754 1.314 81 HD11 LEU 15 1HD1 LEU 15 3.442 14.111 -1.578 82 HD12 LEU 15 2HD1 LEU 15 2.408 15.420 -1.007 83 HD13 LEU 15 3HD1 LEU 15 2.248 13.806 -0.315 84 HD21 LEU 15 1HD2 LEU 15 5.162 13.432 -0.689 85 HD22 LEU 15 2HD2 LEU 15 5.108 13.213 1.060 86 HD23 LEU 15 3HD2 LEU 15 6.082 14.508 0.363 87 H SER 16 H SER 16 0.935 16.754 -0.159 88 HA SER 16 HA SER 16 0.311 16.183 2.665 89 HB2 SER 16 1HB SER 16 -2.126 16.589 1.772 90 HB3 SER 16 2HB SER 16 -1.093 17.963 2.164 91 HG SER 16 HG SER 16 -1.144 16.885 -0.440 92 HA PRO 17 HA PRO 17 -0.189 12.007 1.207 93 HB2 PRO 17 1HB PRO 17 -0.976 10.972 3.590 94 HB3 PRO 17 2HB PRO 17 0.708 11.364 3.222 95 HG2 PRO 17 1HG PRO 17 -1.310 12.942 4.772 96 HG3 PRO 17 2HG PRO 17 0.401 12.649 5.136 97 HD2 PRO 17 1HD PRO 17 -0.479 14.960 4.034 98 HD3 PRO 17 2HD PRO 17 1.121 14.279 3.675 99 H GLU 18 H GLU 18 -2.632 13.320 3.460 100 HA GLU 18 HA GLU 18 -4.744 11.674 2.785 101 HB2 GLU 18 1HB GLU 18 -6.211 13.582 3.520 102 HB3 GLU 18 2HB GLU 18 -4.960 13.121 4.665 103 HG2 GLU 18 1HG GLU 18 -3.614 15.015 3.415 104 HG3 GLU 18 2HG GLU 18 -5.239 15.590 3.047 105 H LYS 19 H LYS 19 -3.750 14.717 1.267 106 HA LYS 19 HA LYS 19 -5.869 14.910 -0.567 107 HB2 LYS 19 1HB LYS 19 -3.115 16.053 -0.394 108 HB3 LYS 19 2HB LYS 19 -3.994 16.208 -1.909 109 HG2 LYS 19 1HG LYS 19 -5.419 16.977 0.570 110 HG3 LYS 19 2HG LYS 19 -4.120 18.034 0.012 111 HD2 LYS 19 1HD LYS 19 -5.849 18.951 -1.154 112 HD3 LYS 19 2HD LYS 19 -5.374 17.704 -2.309 113 HE2 LYS 19 1HE LYS 19 -7.794 17.737 -1.985 114 HE3 LYS 19 2HE LYS 19 -7.095 16.219 -1.425 115 HZ1 LYS 19 1HZ LYS 19 -8.819 17.456 0.031 116 HZ2 LYS 19 2HZ LYS 19 -7.504 18.419 0.483 117 HZ3 LYS 19 3HZ LYS 19 -7.467 16.752 0.764 118 H SER 20 H SER 20 -2.701 13.352 -0.797 119 HA SER 20 HA SER 20 -2.474 12.699 -3.405 120 HB2 SER 20 1HB SER 20 -2.095 10.570 -1.305 121 HB3 SER 20 2HB SER 20 -1.166 10.831 -2.780 122 HG SER 20 HG SER 20 -0.676 12.969 -1.691 123 H GLU 21 H GLU 21 -3.113 10.940 -4.743 124 HA GLU 21 HA GLU 21 -5.659 9.691 -3.941 125 HB2 GLU 21 1HB GLU 21 -5.015 10.301 -6.806 126 HB3 GLU 21 2HB GLU 21 -6.583 10.044 -6.054 127 HG2 GLU 21 1HG GLU 21 -5.921 12.237 -4.744 128 HG3 GLU 21 2HG GLU 21 -4.906 12.488 -6.163 129 H ILE 22 H ILE 22 -5.720 7.541 -4.034 130 HA ILE 22 HA ILE 22 -3.576 6.158 -5.510 131 HB ILE 22 HB ILE 22 -5.050 5.225 -3.045 132 HG12 ILE 22 1HG1 ILE 22 -2.257 6.277 -3.491 133 HG13 ILE 22 2HG1 ILE 22 -3.491 6.913 -2.408 134 HG21 ILE 22 1HG2 ILE 22 -4.411 3.436 -4.674 135 HG22 ILE 22 2HG2 ILE 22 -2.729 3.907 -4.437 136 HG23 ILE 22 3HG2 ILE 22 -3.669 3.282 -3.082 137 HD11 ILE 22 1HD1 ILE 22 -3.228 4.442 -1.401 138 HD12 ILE 22 2HD1 ILE 22 -1.600 4.693 -2.033 139 HD13 ILE 22 3HD1 ILE 22 -2.278 5.827 -0.864 140 H TRP 23 H TRP 23 -4.266 5.168 -7.277 141 HA TRP 23 HA TRP 23 -6.948 3.948 -7.249 142 HB2 TRP 23 1HB TRP 23 -7.299 4.577 -9.527 143 HB3 TRP 23 2HB TRP 23 -6.769 6.023 -8.673 144 HD1 TRP 23 HD TRP 23 -5.947 3.887 -11.617 145 HE1 TRP 23 1HE TRP 23 -3.789 4.727 -12.741 146 HE3 TRP 23 3HE TRP 23 -4.348 7.119 -7.993 147 HZ2 TRP 23 2HZ TRP 23 -1.687 6.521 -12.167 148 HZ3 TRP 23 3HZ TRP 23 -2.254 8.358 -8.358 149 HH2 TRP 23 HH TRP 23 -0.952 8.063 -10.402 150 H GLY 24 H GLY 24 -7.149 2.279 -9.088 151 HA2 GLY 24 1HA GLY 24 -5.521 0.871 -10.506 152 HA3 GLY 24 2HA GLY 24 -4.752 0.575 -8.954 153 HA PRO 25 HA PRO 25 -8.266 -2.487 -9.902 154 HB2 PRO 25 1HB PRO 25 -6.741 -4.654 -10.491 155 HB3 PRO 25 2HB PRO 25 -7.297 -3.509 -11.718 156 HG2 PRO 25 1HG PRO 25 -4.634 -3.686 -10.361 157 HG3 PRO 25 2HG PRO 25 -5.002 -3.398 -12.072 158 HD2 PRO 25 1HD PRO 25 -4.342 -1.400 -10.368 159 HD3 PRO 25 2HD PRO 25 -5.458 -1.165 -11.729 160 H GLY 26 H GLY 26 -5.301 -2.460 -8.087 161 HA2 GLY 26 1HA GLY 26 -5.357 -4.656 -6.502 162 HA3 GLY 26 2HA GLY 26 -4.941 -3.064 -5.885 163 H LEU 27 H LEU 27 -7.763 -2.178 -6.581 164 HA LEU 27 HA LEU 27 -9.169 -3.530 -4.377 165 HB2 LEU 27 1HB LEU 27 -9.643 -0.637 -4.850 166 HB3 LEU 27 2HB LEU 27 -9.764 -1.571 -3.361 167 HG LEU 27 HG LEU 27 -7.066 -1.101 -4.538 168 HD11 LEU 27 1HD1 LEU 27 -6.985 1.009 -3.137 169 HD12 LEU 27 2HD1 LEU 27 -8.747 0.955 -3.132 170 HD13 LEU 27 3HD1 LEU 27 -7.875 1.106 -4.657 171 HD21 LEU 27 1HD2 LEU 27 -7.156 -2.524 -2.635 172 HD22 LEU 27 2HD2 LEU 27 -8.207 -1.404 -1.767 173 HD23 LEU 27 3HD2 LEU 27 -6.527 -0.969 -2.088 174 H LYS 28 H LYS 28 -9.659 -4.436 -6.814 175 HA LYS 28 HA LYS 28 -12.185 -3.144 -7.615 176 HB2 LYS 28 1HB LYS 28 -11.822 -3.798 -9.859 177 HB3 LYS 28 2HB LYS 28 -10.290 -3.131 -9.308 178 HG2 LYS 28 1HG LYS 28 -9.231 -5.149 -9.359 179 HG3 LYS 28 2HG LYS 28 -10.712 -6.060 -9.054 180 HD2 LYS 28 1HD LYS 28 -10.392 -6.565 -11.262 181 HD3 LYS 28 2HD LYS 28 -11.369 -5.105 -11.429 182 HE2 LYS 28 1HE LYS 28 -9.276 -3.790 -11.641 183 HE3 LYS 28 2HE LYS 28 -8.364 -5.298 -11.600 184 HZ1 LYS 28 1HZ LYS 28 -8.574 -4.996 -13.834 185 HZ2 LYS 28 2HZ LYS 28 -10.070 -4.215 -13.720 186 HZ3 LYS 28 3HZ LYS 28 -9.979 -5.896 -13.554 187 H ALA 29 H ALA 29 -13.545 -4.880 -8.931 188 HA ALA 29 HA ALA 29 -14.338 -6.835 -7.036 189 HB1 ALA 29 1HB ALA 29 -16.014 -5.913 -8.438 190 HB2 ALA 29 2HB ALA 29 -15.133 -6.359 -9.900 191 HB3 ALA 29 3HB ALA 29 -15.855 -7.611 -8.889 192 H ASP 30 H ASP 30 -13.503 -7.502 -10.428 193 HA ASP 30 HA ASP 30 -12.475 -10.106 -9.640 194 HB2 ASP 30 1HB ASP 30 -13.155 -8.824 -12.272 195 HB3 ASP 30 2HB ASP 30 -12.199 -10.302 -12.212 196 H VAL 31 H VAL 31 -10.705 -8.806 -8.485 197 HA VAL 31 HA VAL 31 -8.691 -7.418 -9.751 198 HB VAL 31 HB VAL 31 -7.173 -8.238 -7.954 199 HG11 VAL 31 1HG1 VAL 31 -9.239 -6.501 -7.778 200 HG12 VAL 31 2HG1 VAL 31 -9.635 -7.616 -6.469 201 HG13 VAL 31 3HG1 VAL 31 -8.076 -6.791 -6.485 202 HG21 VAL 31 1HG2 VAL 31 -7.699 -9.925 -6.511 203 HG22 VAL 31 2HG2 VAL 31 -9.437 -9.674 -6.673 204 HG23 VAL 31 3HG2 VAL 31 -8.544 -10.506 -7.945 205 H VAL 32 H VAL 32 -6.295 -8.511 -9.637 206 HA VAL 32 HA VAL 32 -6.264 -10.298 -11.885 207 HB VAL 32 HB VAL 32 -3.813 -10.176 -11.697 208 HG11 VAL 32 1HG1 VAL 32 -4.654 -7.357 -11.328 209 HG12 VAL 32 2HG1 VAL 32 -3.686 -8.094 -12.606 210 HG13 VAL 32 3HG1 VAL 32 -5.440 -8.281 -12.607 211 HG21 VAL 32 1HG2 VAL 32 -4.501 -9.070 -9.053 212 HG22 VAL 32 2HG2 VAL 32 -3.090 -9.997 -9.564 213 HG23 VAL 32 3HG2 VAL 32 -3.180 -8.268 -9.902 214 H LEU 33 H LEU 33 -5.674 -12.428 -11.955 215 HA LEU 33 HA LEU 33 -6.153 -14.009 -9.659 216 HB2 LEU 33 1HB LEU 33 -6.189 -14.477 -12.310 217 HB3 LEU 33 2HB LEU 33 -4.639 -15.206 -11.892 218 HG LEU 33 HG LEU 33 -7.106 -15.952 -10.371 219 HD11 LEU 33 1HD1 LEU 33 -6.943 -16.220 -13.131 220 HD12 LEU 33 2HD1 LEU 33 -8.028 -17.084 -12.043 221 HD13 LEU 33 3HD1 LEU 33 -6.482 -17.801 -12.498 222 HD21 LEU 33 1HD2 LEU 33 -5.914 -17.949 -9.915 223 HD22 LEU 33 2HD2 LEU 33 -4.781 -16.620 -9.668 224 HD23 LEU 33 3HD2 LEU 33 -4.699 -17.586 -11.142 225 HA PRO 34 HA PRO 34 -1.364 -14.764 -9.752 226 HB2 PRO 34 1HB PRO 34 0.113 -12.974 -11.161 227 HB3 PRO 34 2HB PRO 34 -0.529 -14.459 -11.871 228 HG2 PRO 34 1HG PRO 34 -1.597 -11.667 -12.032 229 HG3 PRO 34 2HG PRO 34 -1.458 -12.887 -13.311 230 HD2 PRO 34 1HD PRO 34 -3.790 -12.376 -12.034 231 HD3 PRO 34 2HD PRO 34 -3.368 -13.990 -12.642 232 H ALA 35 H ALA 35 -0.671 -11.446 -10.477 233 HA ALA 35 HA ALA 35 -0.887 -10.708 -7.642 234 HB1 ALA 35 1HB ALA 35 1.419 -9.428 -8.527 235 HB2 ALA 35 2HB ALA 35 1.323 -10.791 -7.412 236 HB3 ALA 35 3HB ALA 35 1.556 -11.077 -9.136 237 H ARG 36 H ARG 36 -1.011 -8.437 -7.245 238 HA ARG 36 HA ARG 36 -1.780 -6.868 -9.618 239 HB2 ARG 36 1HB ARG 36 -3.501 -5.802 -8.373 240 HB3 ARG 36 2HB ARG 36 -3.665 -7.527 -8.070 241 HG2 ARG 36 1HG ARG 36 -3.894 -6.747 -5.950 242 HG3 ARG 36 2HG ARG 36 -2.141 -6.948 -5.994 243 HD2 ARG 36 1HD ARG 36 -1.761 -4.664 -6.230 244 HD3 ARG 36 2HD ARG 36 -3.402 -4.354 -6.797 245 HE ARG 36 HE ARG 36 -4.099 -4.204 -4.614 246 HH11 ARG 36 1HH1 ARG 36 -0.895 -5.561 -4.723 247 HH12 ARG 36 2HH1 ARG 36 -0.654 -5.461 -3.010 248 HH21 ARG 36 1HH2 ARG 36 -3.793 -4.067 -2.358 249 HH22 ARG 36 2HH2 ARG 36 -2.303 -4.612 -1.666 250 H TYR 37 H TYR 37 -1.242 -4.665 -9.645 251 HA TYR 37 HA TYR 37 0.430 -3.631 -7.491 252 HB2 TYR 37 1HB TYR 37 2.300 -3.127 -8.862 253 HB3 TYR 37 2HB TYR 37 1.900 -4.807 -9.200 254 HD1 TYR 37 2HD TYR 37 0.878 -5.434 -11.342 255 HD2 TYR 37 1HD TYR 37 2.052 -1.423 -10.545 256 HE1 TYR 37 2HE TYR 37 0.732 -4.921 -13.743 257 HE2 TYR 37 1HE TYR 37 1.908 -0.898 -12.944 258 HH TYR 37 HH TYR 37 0.844 -3.334 -15.296 259 H PHE 38 H PHE 38 0.019 -1.550 -7.112 260 HA PHE 38 HA PHE 38 -1.379 -0.013 -9.202 261 HB2 PHE 38 1HB PHE 38 -2.485 1.229 -7.366 262 HB3 PHE 38 2HB PHE 38 -2.873 -0.488 -7.344 263 HD1 PHE 38 1HD PHE 38 -1.435 -1.967 -5.778 264 HD2 PHE 38 2HD PHE 38 -1.748 2.265 -5.440 265 HE1 PHE 38 1HE PHE 38 -0.701 -2.103 -3.433 266 HE2 PHE 38 2HE PHE 38 -1.015 2.135 -3.095 267 HZ PHE 38 HZ PHE 38 -0.489 -0.050 -2.089 268 H TYR 39 H TYR 39 -1.204 2.439 -8.723 269 HA TYR 39 HA TYR 39 1.624 3.028 -8.147 270 HB2 TYR 39 1HB TYR 39 -0.179 4.766 -9.818 271 HB3 TYR 39 2HB TYR 39 1.580 4.738 -9.771 272 HD1 TYR 39 2HD TYR 39 2.676 2.467 -10.529 273 HD2 TYR 39 1HD TYR 39 -1.265 3.696 -11.558 274 HE1 TYR 39 2HE TYR 39 2.707 0.936 -12.453 275 HE2 TYR 39 1HE TYR 39 -1.245 2.168 -13.485 276 HH TYR 39 HH TYR 39 1.645 0.521 -14.493 277 H ILE 40 H ILE 40 2.153 4.818 -6.905 278 HA ILE 40 HA ILE 40 -0.089 5.991 -5.393 279 HB ILE 40 HB ILE 40 2.736 5.410 -4.510 280 HG12 ILE 40 1HG1 ILE 40 0.150 4.522 -3.242 281 HG13 ILE 40 2HG1 ILE 40 0.927 3.594 -4.520 282 HG21 ILE 40 1HG2 ILE 40 0.596 7.078 -3.222 283 HG22 ILE 40 2HG2 ILE 40 1.895 6.335 -2.291 284 HG23 ILE 40 3HG2 ILE 40 2.275 7.505 -3.554 285 HD11 ILE 40 1HD1 ILE 40 1.393 2.890 -2.135 286 HD12 ILE 40 2HD1 ILE 40 2.794 3.123 -3.182 287 HD13 ILE 40 3HD1 ILE 40 2.360 4.358 -2.000 288 H GLN 41 H GLN 41 -0.473 7.916 -6.330 289 HA GLN 41 HA GLN 41 1.730 9.594 -7.210 290 HB2 GLN 41 1HB GLN 41 -0.132 9.527 -8.700 291 HB3 GLN 41 2HB GLN 41 -1.267 9.862 -7.400 292 HG2 GLN 41 1HG GLN 41 -1.085 11.863 -8.593 293 HG3 GLN 41 2HG GLN 41 -0.101 12.096 -7.149 294 HE21 GLN 41 1HE2 GLN 41 1.792 12.992 -7.484 295 HE22 GLN 41 2HE2 GLN 41 2.712 12.925 -8.945 296 H ALA 42 H ALA 42 2.232 11.608 -6.373 297 HA ALA 42 HA ALA 42 1.296 12.058 -3.629 298 HB1 ALA 42 1HB ALA 42 3.847 12.200 -4.875 299 HB2 ALA 42 2HB ALA 42 3.427 13.808 -4.283 300 HB3 ALA 42 3HB ALA 42 3.433 12.434 -3.176 301 H VAL 43 H VAL 43 0.324 13.926 -2.996 302 HA VAL 43 HA VAL 43 -0.106 15.995 -5.049 303 HB VAL 43 HB VAL 43 -2.154 14.873 -3.135 304 HG11 VAL 43 1HG1 VAL 43 -2.183 17.353 -4.826 305 HG12 VAL 43 2HG1 VAL 43 -3.673 16.538 -4.347 306 HG13 VAL 43 3HG1 VAL 43 -2.581 17.176 -3.117 307 HG21 VAL 43 1HG2 VAL 43 -3.344 14.173 -5.071 308 HG22 VAL 43 2HG2 VAL 43 -2.251 15.051 -6.141 309 HG23 VAL 43 3HG2 VAL 43 -1.678 13.630 -5.268 310 H ASP 44 H ASP 44 -0.377 18.127 -4.289 311 HA ASP 44 HA ASP 44 0.946 18.613 -1.739 312 HB2 ASP 44 1HB ASP 44 1.556 19.790 -3.930 313 HB3 ASP 44 2HB ASP 44 0.067 20.707 -3.720 314 H THR 45 H THR 45 0.098 20.578 -0.485 315 HA THR 45 HA THR 45 -2.442 19.963 0.534 316 HB THR 45 HB THR 45 -2.268 22.166 1.728 317 HG1 THR 45 1HG THR 45 0.273 22.317 0.449 318 HG21 THR 45 1HG2 THR 45 -1.363 20.574 3.075 319 HG22 THR 45 2HG2 THR 45 0.120 21.462 2.724 320 HG23 THR 45 3HG2 THR 45 -0.261 19.993 1.828 321 H SER 46 H SER 46 -1.586 21.641 -2.262 322 HA SER 46 HA SER 46 -4.166 23.054 -2.338 323 HB2 SER 46 1HB SER 46 -1.493 23.618 -3.540 324 HB3 SER 46 2HB SER 46 -2.927 24.142 -4.422 325 HG SER 46 HG SER 46 -1.772 25.320 -2.358 326 H GLY 47 H GLY 47 -3.381 20.157 -2.992 327 HA2 GLY 47 1HA GLY 47 -4.112 18.564 -4.475 328 HA3 GLY 47 2HA GLY 47 -5.213 19.781 -5.101 329 H ASN 48 H ASN 48 -1.674 19.850 -5.065 330 HA ASN 48 HA ASN 48 -1.746 20.052 -7.999 331 HB2 ASN 48 1HB ASN 48 0.246 21.092 -5.978 332 HB3 ASN 48 2HB ASN 48 0.538 21.102 -7.715 333 HD21 ASN 48 1HD2 ASN 48 -0.961 22.655 -5.089 334 HD22 ASN 48 2HD2 ASN 48 -1.733 23.921 -5.975 335 H LYS 49 H LYS 49 -0.721 18.588 -9.224 336 HA LYS 49 HA LYS 49 0.251 16.188 -8.045 337 HB2 LYS 49 1HB LYS 49 0.035 17.244 -10.838 338 HB3 LYS 49 2HB LYS 49 1.003 15.807 -10.533 339 HG2 LYS 49 1HG LYS 49 -0.854 14.578 -9.796 340 HG3 LYS 49 2HG LYS 49 -1.844 16.028 -9.614 341 HD2 LYS 49 1HD LYS 49 -2.086 16.284 -11.938 342 HD3 LYS 49 2HD LYS 49 -0.758 15.174 -12.282 343 HE2 LYS 49 1HE LYS 49 -2.035 13.297 -11.772 344 HE3 LYS 49 2HE LYS 49 -3.205 14.227 -10.838 345 HZ1 LYS 49 1HZ LYS 49 -4.255 14.973 -12.728 346 HZ2 LYS 49 2HZ LYS 49 -3.825 13.403 -13.188 347 HZ3 LYS 49 3HZ LYS 49 -2.911 14.722 -13.724 348 H PHE 50 H PHE 50 2.195 15.848 -7.218 349 HA PHE 50 HA PHE 50 4.308 17.694 -7.355 350 HB2 PHE 50 1HB PHE 50 3.969 14.923 -6.328 351 HB3 PHE 50 2HB PHE 50 5.616 15.492 -6.582 352 HD1 PHE 50 1HD PHE 50 2.479 17.005 -5.232 353 HD2 PHE 50 2HD PHE 50 6.613 16.179 -4.643 354 HE1 PHE 50 1HE PHE 50 2.402 18.177 -3.070 355 HE2 PHE 50 2HE PHE 50 6.542 17.348 -2.480 356 HZ PHE 50 HZ PHE 50 4.435 18.349 -1.690 357 H THR 51 H THR 51 3.889 14.547 -8.961 358 HA THR 51 HA THR 51 4.963 13.585 -10.730 359 HB THR 51 HB THR 51 5.285 15.012 -12.702 360 HG1 THR 51 1HG THR 51 6.073 16.888 -11.667 361 HG21 THR 51 1HG2 THR 51 2.884 16.187 -12.456 362 HG22 THR 51 2HG2 THR 51 2.800 15.069 -11.094 363 HG23 THR 51 3HG2 THR 51 3.083 14.456 -12.723 364 H SER 52 H SER 52 6.640 14.448 -8.493 365 HA SER 52 HA SER 52 9.191 14.655 -9.945 366 HB2 SER 52 1HB SER 52 10.097 16.091 -8.212 367 HB3 SER 52 2HB SER 52 8.617 16.816 -8.839 368 HG SER 52 HG SER 52 7.578 15.689 -6.991 369 H SER 53 H SER 53 11.047 14.133 -8.265 370 HA SER 53 HA SER 53 10.332 11.534 -7.108 371 HB2 SER 53 1HB SER 53 12.768 11.076 -7.168 372 HB3 SER 53 2HB SER 53 12.128 11.484 -8.760 373 HG SER 53 HG SER 53 13.315 13.403 -7.051 374 HA PRO 54 HA PRO 54 10.631 13.766 -3.197 375 HB2 PRO 54 1HB PRO 54 9.459 11.798 -1.739 376 HB3 PRO 54 2HB PRO 54 8.537 12.959 -2.701 377 HG2 PRO 54 1HG PRO 54 9.320 10.147 -3.366 378 HG3 PRO 54 2HG PRO 54 7.769 10.968 -3.624 379 HD2 PRO 54 1HD PRO 54 9.582 10.620 -5.606 380 HD3 PRO 54 2HD PRO 54 8.507 12.031 -5.532 381 H GLY 55 H GLY 55 11.261 10.259 -3.469 382 HA2 GLY 55 1HA GLY 55 13.952 10.393 -2.722 383 HA3 GLY 55 2HA GLY 55 13.014 10.123 -1.261 384 H GLU 56 H GLU 56 14.758 8.222 -1.801 385 HA GLU 56 HA GLU 56 13.963 6.185 -3.566 386 HB2 GLU 56 1HB GLU 56 15.421 4.715 -2.188 387 HB3 GLU 56 2HB GLU 56 16.201 6.213 -2.676 388 HG2 GLU 56 1HG GLU 56 15.671 7.152 -0.441 389 HG3 GLU 56 2HG GLU 56 15.050 5.571 0.028 390 H LYS 57 H LYS 57 13.412 6.549 -0.069 391 HA LYS 57 HA LYS 57 11.053 4.819 -0.345 392 HB2 LYS 57 1HB LYS 57 13.222 4.624 1.742 393 HB3 LYS 57 2HB LYS 57 11.630 3.911 1.960 394 HG2 LYS 57 1HG LYS 57 13.405 3.266 -0.377 395 HG3 LYS 57 2HG LYS 57 13.430 2.361 1.139 396 HD2 LYS 57 1HD LYS 57 10.897 2.798 -0.421 397 HD3 LYS 57 2HD LYS 57 11.978 1.441 -0.749 398 HE2 LYS 57 1HE LYS 57 11.072 1.953 2.048 399 HE3 LYS 57 2HE LYS 57 9.967 1.181 0.912 400 HZ1 LYS 57 1HZ LYS 57 12.186 -0.240 0.513 401 HZ2 LYS 57 2HZ LYS 57 10.985 -0.673 1.622 402 HZ3 LYS 57 3HZ LYS 57 12.371 0.140 2.151 403 H VAL 58 H VAL 58 9.538 6.395 -0.154 404 HA VAL 58 HA VAL 58 9.583 7.979 2.332 405 HB VAL 58 HB VAL 58 8.300 9.724 1.143 406 HG11 VAL 58 1HG1 VAL 58 10.951 9.027 -0.118 407 HG12 VAL 58 2HG1 VAL 58 10.172 10.609 -0.178 408 HG13 VAL 58 3HG1 VAL 58 10.710 9.948 1.366 409 HG21 VAL 58 1HG2 VAL 58 8.142 7.695 -0.866 410 HG22 VAL 58 2HG2 VAL 58 7.314 9.250 -0.791 411 HG23 VAL 58 3HG2 VAL 58 8.903 9.134 -1.545 412 H PHE 59 H PHE 59 7.705 6.084 0.076 413 HA PHE 59 HA PHE 59 5.412 6.210 1.922 414 HB2 PHE 59 1HB PHE 59 5.530 5.779 -1.060 415 HB3 PHE 59 2HB PHE 59 4.100 5.384 -0.111 416 HD1 PHE 59 1HD PHE 59 3.583 7.454 1.653 417 HD2 PHE 59 2HD PHE 59 5.341 7.740 -2.213 418 HE1 PHE 59 1HE PHE 59 2.825 9.788 1.484 419 HE2 PHE 59 2HE PHE 59 4.586 10.075 -2.388 420 HZ PHE 59 HZ PHE 59 3.327 11.103 -0.537 421 H GLN 60 H GLN 60 4.887 4.413 2.978 422 HA GLN 60 HA GLN 60 5.991 1.859 2.009 423 HB2 GLN 60 1HB GLN 60 6.958 2.706 4.156 424 HB3 GLN 60 2HB GLN 60 5.355 2.592 4.870 425 HG2 GLN 60 1HG GLN 60 5.400 0.142 4.228 426 HG3 GLN 60 2HG GLN 60 7.117 0.368 3.896 427 HE21 GLN 60 1HE2 GLN 60 6.652 -1.449 5.692 428 HE22 GLN 60 2HE2 GLN 60 6.943 -0.890 7.300 429 H VAL 61 H VAL 61 4.710 -0.006 2.187 430 HA VAL 61 HA VAL 61 1.854 0.476 2.729 431 HB VAL 61 HB VAL 61 2.947 -1.281 0.528 432 HG11 VAL 61 1HG1 VAL 61 0.103 -0.462 1.099 433 HG12 VAL 61 2HG1 VAL 61 0.662 -1.584 -0.143 434 HG13 VAL 61 3HG1 VAL 61 0.805 -2.011 1.562 435 HG21 VAL 61 1HG2 VAL 61 1.642 0.520 -0.854 436 HG22 VAL 61 2HG2 VAL 61 1.955 1.533 0.556 437 HG23 VAL 61 3HG2 VAL 61 3.301 0.822 -0.335 438 H LYS 62 H LYS 62 0.709 -1.188 3.688 439 HA LYS 62 HA LYS 62 2.303 -3.499 4.585 440 HB2 LYS 62 1HB LYS 62 1.965 -1.999 6.458 441 HB3 LYS 62 2HB LYS 62 0.238 -1.925 6.133 442 HG2 LYS 62 1HG LYS 62 0.210 -3.444 7.808 443 HG3 LYS 62 2HG LYS 62 0.458 -4.552 6.456 444 HD2 LYS 62 1HD LYS 62 2.865 -3.372 7.733 445 HD3 LYS 62 2HD LYS 62 1.983 -4.606 8.634 446 HE2 LYS 62 1HE LYS 62 2.748 -5.037 5.769 447 HE3 LYS 62 2HE LYS 62 3.901 -5.337 7.068 448 HZ1 LYS 62 1HZ LYS 62 1.204 -6.561 6.998 449 HZ2 LYS 62 2HZ LYS 62 2.508 -6.985 7.987 450 HZ3 LYS 62 3HZ LYS 62 2.567 -7.305 6.327 451 H VAL 63 H VAL 63 1.307 -5.491 4.621 452 HA VAL 63 HA VAL 63 -1.424 -5.604 3.517 453 HB VAL 63 HB VAL 63 0.928 -7.372 2.846 454 HG11 VAL 63 1HG1 VAL 63 -1.980 -7.852 2.650 455 HG12 VAL 63 2HG1 VAL 63 -1.015 -8.281 1.236 456 HG13 VAL 63 3HG1 VAL 63 -0.647 -8.996 2.806 457 HG21 VAL 63 1HG2 VAL 63 0.683 -5.174 1.665 458 HG22 VAL 63 2HG2 VAL 63 0.652 -6.588 0.610 459 HG23 VAL 63 3HG2 VAL 63 -0.851 -5.762 1.023 460 H SER 64 H SER 64 -2.729 -6.316 5.068 461 HA SER 64 HA SER 64 -1.829 -8.592 6.709 462 HB2 SER 64 1HB SER 64 -3.546 -6.264 7.605 463 HB3 SER 64 2HB SER 64 -3.151 -7.675 8.585 464 HG SER 64 HG SER 64 -1.513 -5.554 7.764 465 H ALA 65 H ALA 65 -3.295 -10.215 7.084 466 HA ALA 65 HA ALA 65 -5.882 -9.976 5.691 467 HB1 ALA 65 1HB ALA 65 -4.385 -11.464 4.482 468 HB2 ALA 65 2HB ALA 65 -4.143 -12.427 5.940 469 HB3 ALA 65 3HB ALA 65 -5.731 -12.367 5.177 470 HA PRO 66 HA PRO 66 -7.776 -10.901 9.560 471 HB2 PRO 66 1HB PRO 66 -10.180 -11.771 8.646 472 HB3 PRO 66 2HB PRO 66 -9.708 -10.067 8.638 473 HG2 PRO 66 1HG PRO 66 -9.655 -12.058 6.403 474 HG3 PRO 66 2HG PRO 66 -10.187 -10.366 6.382 475 HD2 PRO 66 1HD PRO 66 -7.758 -11.142 5.469 476 HD3 PRO 66 2HD PRO 66 -8.033 -9.560 6.228 477 H GLU 67 H GLU 67 -7.996 -13.327 6.976 478 HA GLU 67 HA GLU 67 -8.865 -15.543 8.246 479 HB2 GLU 67 1HB GLU 67 -8.228 -15.643 5.932 480 HB3 GLU 67 2HB GLU 67 -6.546 -15.318 6.327 481 HG2 GLU 67 1HG GLU 67 -6.500 -17.481 7.570 482 HG3 GLU 67 2HG GLU 67 -8.114 -17.808 6.940 483 H GLU 68 H GLU 68 -5.354 -15.003 7.977 484 HA GLU 68 HA GLU 68 -5.013 -16.426 10.517 485 HB2 GLU 68 1HB GLU 68 -2.642 -16.621 9.851 486 HB3 GLU 68 2HB GLU 68 -3.733 -17.319 8.662 487 HG2 GLU 68 1HG GLU 68 -2.845 -14.501 8.320 488 HG3 GLU 68 2HG GLU 68 -1.728 -15.809 7.932 489 H GLN 69 H GLN 69 -3.981 -15.540 12.263 490 HA GLN 69 HA GLN 69 -4.206 -12.828 12.755 491 HB2 GLN 69 1HB GLN 69 -2.076 -14.449 14.108 492 HB3 GLN 69 2HB GLN 69 -3.126 -13.213 14.788 493 HG2 GLN 69 1HG GLN 69 -5.008 -14.944 14.192 494 HG3 GLN 69 2HG GLN 69 -3.668 -16.087 14.264 495 HE21 GLN 69 1HE2 GLN 69 -3.360 -16.985 16.160 496 HE22 GLN 69 2HE2 GLN 69 -3.770 -16.305 17.695 497 H PHE 70 H PHE 70 -1.102 -14.538 12.335 498 HA PHE 70 HA PHE 70 0.268 -12.069 11.787 499 HB2 PHE 70 1HB PHE 70 1.051 -14.939 12.043 500 HB3 PHE 70 2HB PHE 70 2.144 -13.847 11.198 501 HD1 PHE 70 2HD PHE 70 0.086 -13.775 14.316 502 HD2 PHE 70 1HD PHE 70 3.845 -13.011 12.472 503 HE1 PHE 70 2HE PHE 70 0.986 -13.014 16.475 504 HE2 PHE 70 1HE PHE 70 4.752 -12.249 14.629 505 HZ PHE 70 HZ PHE 70 3.322 -12.249 16.634 506 H THR 71 H THR 71 1.809 -12.045 9.835 507 HA THR 71 HA THR 71 0.935 -13.375 7.453 508 HB THR 71 HB THR 71 0.341 -10.424 7.742 509 HG1 THR 71 1HG THR 71 -1.789 -11.385 6.985 510 HG21 THR 71 1HG2 THR 71 0.638 -10.237 5.542 511 HG22 THR 71 2HG2 THR 71 -0.626 -11.442 5.294 512 HG23 THR 71 3HG2 THR 71 1.059 -11.945 5.424 513 H ARG 72 H ARG 72 2.551 -13.454 6.000 514 HA ARG 72 HA ARG 72 4.808 -11.593 6.363 515 HB2 ARG 72 1HB ARG 72 5.358 -13.861 7.153 516 HB3 ARG 72 2HB ARG 72 4.941 -14.508 5.572 517 HG2 ARG 72 1HG ARG 72 6.742 -12.938 4.658 518 HG3 ARG 72 2HG ARG 72 7.269 -12.785 6.335 519 HD2 ARG 72 1HD ARG 72 7.846 -15.039 6.485 520 HD3 ARG 72 2HD ARG 72 6.866 -15.478 5.087 521 HE ARG 72 HE ARG 72 8.663 -15.029 3.759 522 HH11 ARG 72 1HH1 ARG 72 9.104 -13.409 6.809 523 HH12 ARG 72 2HH1 ARG 72 10.704 -12.861 6.435 524 HH21 ARG 72 1HH2 ARG 72 10.769 -14.314 3.255 525 HH22 ARG 72 2HH2 ARG 72 11.650 -13.375 4.413 526 H VAL 73 H VAL 73 4.341 -10.185 4.727 527 HA VAL 73 HA VAL 73 4.276 -11.320 2.007 528 HB VAL 73 HB VAL 73 2.903 -8.813 2.986 529 HG11 VAL 73 1HG1 VAL 73 3.006 -10.024 0.225 530 HG12 VAL 73 2HG1 VAL 73 2.006 -8.652 0.707 531 HG13 VAL 73 3HG1 VAL 73 3.765 -8.515 0.732 532 HG21 VAL 73 1HG2 VAL 73 1.136 -10.095 3.389 533 HG22 VAL 73 2HG2 VAL 73 1.153 -10.663 1.720 534 HG23 VAL 73 3HG2 VAL 73 2.073 -11.524 2.954 535 H GLY 74 H GLY 74 5.944 -10.774 0.769 536 HA2 GLY 74 1HA GLY 74 7.813 -8.754 1.686 537 HA3 GLY 74 2HA GLY 74 8.032 -9.839 0.321 538 H VAL 75 H VAL 75 6.257 -6.959 1.376 539 HA VAL 75 HA VAL 75 5.666 -6.209 -1.360 540 HB VAL 75 HB VAL 75 5.162 -4.727 1.224 541 HG11 VAL 75 1HG1 VAL 75 4.221 -3.030 0.074 542 HG12 VAL 75 2HG1 VAL 75 5.302 -3.577 -1.209 543 HG13 VAL 75 3HG1 VAL 75 3.613 -4.087 -1.200 544 HG21 VAL 75 1HG2 VAL 75 3.659 -6.402 1.437 545 HG22 VAL 75 2HG2 VAL 75 2.727 -5.413 0.313 546 HG23 VAL 75 3HG2 VAL 75 3.669 -6.778 -0.286 547 H GLN 76 H GLN 76 6.837 -4.883 -2.593 548 HA GLN 76 HA GLN 76 8.885 -3.208 -1.306 549 HB2 GLN 76 1HB GLN 76 9.862 -5.255 -2.371 550 HB3 GLN 76 2HB GLN 76 9.251 -4.682 -3.918 551 HG2 GLN 76 1HG GLN 76 11.650 -4.198 -3.529 552 HG3 GLN 76 2HG GLN 76 10.670 -2.770 -3.856 553 HE21 GLN 76 1HE2 GLN 76 12.686 -4.390 -1.612 554 HE22 GLN 76 2HE2 GLN 76 12.679 -3.174 -0.385 555 H VAL 77 H VAL 77 9.340 -1.233 -2.301 556 HA VAL 77 HA VAL 77 7.374 -0.402 -4.336 557 HB VAL 77 HB VAL 77 7.683 1.915 -3.423 558 HG11 VAL 77 1HG1 VAL 77 5.875 1.622 -2.123 559 HG12 VAL 77 2HG1 VAL 77 5.982 -0.059 -2.648 560 HG13 VAL 77 3HG1 VAL 77 6.678 0.429 -1.103 561 HG21 VAL 77 1HG2 VAL 77 8.519 1.984 -1.029 562 HG22 VAL 77 2HG2 VAL 77 9.220 0.394 -1.332 563 HG23 VAL 77 3HG2 VAL 77 9.746 1.784 -2.281 564 H LEU 78 H LEU 78 8.360 -0.299 -6.249 565 HA LEU 78 HA LEU 78 11.100 0.764 -6.371 566 HB2 LEU 78 1HB LEU 78 10.362 -1.570 -7.308 567 HB3 LEU 78 2HB LEU 78 9.783 -0.610 -8.668 568 HG LEU 78 HG LEU 78 12.602 -0.261 -7.762 569 HD11 LEU 78 1HD1 LEU 78 11.457 -2.696 -9.020 570 HD12 LEU 78 2HD1 LEU 78 12.809 -2.526 -7.901 571 HD13 LEU 78 3HD1 LEU 78 13.015 -2.109 -9.602 572 HD21 LEU 78 1HD2 LEU 78 12.350 -0.415 -10.545 573 HD22 LEU 78 2HD2 LEU 78 12.571 1.035 -9.565 574 HD23 LEU 78 3HD2 LEU 78 10.945 0.494 -9.986 575 H ASP 79 H ASP 79 11.634 2.124 -8.235 576 HA ASP 79 HA ASP 79 9.470 4.014 -8.761 577 HB2 ASP 79 1HB ASP 79 12.466 4.162 -9.030 578 HB3 ASP 79 2HB ASP 79 11.414 5.382 -9.742 579 H ARG 80 H ARG 80 8.298 3.698 -10.528 580 HA ARG 80 HA ARG 80 9.635 2.642 -12.933 581 HB2 ARG 80 1HB ARG 80 6.685 2.496 -12.303 582 HB3 ARG 80 2HB ARG 80 7.537 1.686 -13.611 583 HG2 ARG 80 1HG ARG 80 8.101 1.148 -10.709 584 HG3 ARG 80 2HG ARG 80 6.908 0.249 -11.649 585 HD2 ARG 80 1HD ARG 80 9.774 0.530 -12.513 586 HD3 ARG 80 2HD ARG 80 9.228 -0.772 -11.457 587 HE ARG 80 HE ARG 80 7.565 -0.751 -13.687 588 HH11 ARG 80 1HH1 ARG 80 10.916 -1.317 -12.933 589 HH12 ARG 80 2HH1 ARG 80 11.158 -2.426 -14.242 590 HH21 ARG 80 1HH2 ARG 80 7.871 -2.209 -15.414 591 HH22 ARG 80 2HH2 ARG 80 9.426 -2.932 -15.653 592 H LYS 81 H LYS 81 6.807 4.633 -12.047 593 HA LYS 81 HA LYS 81 6.909 6.054 -14.548 594 HB2 LYS 81 1HB LYS 81 5.188 6.213 -12.093 595 HB3 LYS 81 2HB LYS 81 5.117 7.480 -13.311 596 HG2 LYS 81 1HG LYS 81 4.742 5.534 -14.971 597 HG3 LYS 81 2HG LYS 81 4.327 4.606 -13.528 598 HD2 LYS 81 1HD LYS 81 2.603 6.228 -12.959 599 HD3 LYS 81 2HD LYS 81 3.044 7.210 -14.359 600 HE2 LYS 81 1HE LYS 81 1.289 6.056 -15.248 601 HE3 LYS 81 2HE LYS 81 2.596 4.937 -15.637 602 HZ1 LYS 81 1HZ LYS 81 0.436 4.090 -14.494 603 HZ2 LYS 81 2HZ LYS 81 1.182 4.643 -13.080 604 HZ3 LYS 81 3HZ LYS 81 1.938 3.466 -14.031 605 H ASP 82 H ASP 82 6.560 8.599 -14.222 606 HA ASP 82 HA ASP 82 8.981 9.510 -12.834 607 HB2 ASP 82 1HB ASP 82 7.394 10.646 -15.131 608 HB3 ASP 82 2HB ASP 82 8.608 11.593 -14.276 609 H GLY 83 H GLY 83 6.984 9.041 -11.092 610 HA2 GLY 83 1HA GLY 83 6.701 11.399 -9.678 611 HA3 GLY 83 2HA GLY 83 5.255 11.266 -10.667 612 H SER 84 H SER 84 5.174 8.360 -10.553 613 HA SER 84 HA SER 84 4.281 8.064 -7.762 614 HB2 SER 84 1HB SER 84 3.224 6.735 -10.269 615 HB3 SER 84 2HB SER 84 2.662 6.392 -8.632 616 HG SER 84 HG SER 84 2.474 8.846 -10.042 617 H PHE 85 H PHE 85 4.248 5.751 -6.999 618 HA PHE 85 HA PHE 85 6.704 4.399 -7.899 619 HB2 PHE 85 1HB PHE 85 5.442 4.691 -5.190 620 HB3 PHE 85 2HB PHE 85 6.523 3.343 -5.525 621 HD1 PHE 85 2HD PHE 85 6.400 7.050 -5.928 622 HD2 PHE 85 1HD PHE 85 8.751 3.611 -5.053 623 HE1 PHE 85 2HE PHE 85 8.336 8.496 -5.466 624 HE2 PHE 85 1HE PHE 85 10.690 5.052 -4.588 625 HZ PHE 85 HZ PHE 85 10.485 7.497 -4.795 626 H ILE 86 H ILE 86 6.712 2.009 -7.534 627 HA ILE 86 HA ILE 86 4.061 0.882 -8.160 628 HB ILE 86 HB ILE 86 5.890 0.831 -9.966 629 HG12 ILE 86 1HG1 ILE 86 4.879 -1.917 -9.322 630 HG13 ILE 86 2HG1 ILE 86 3.733 -0.629 -9.676 631 HG21 ILE 86 1HG2 ILE 86 6.879 -1.534 -8.400 632 HG22 ILE 86 2HG2 ILE 86 7.594 -0.782 -9.825 633 HG23 ILE 86 3HG2 ILE 86 7.625 0.059 -8.276 634 HD11 ILE 86 1HD1 ILE 86 5.912 -1.651 -11.479 635 HD12 ILE 86 2HD1 ILE 86 4.173 -1.874 -11.673 636 HD13 ILE 86 3HD1 ILE 86 4.879 -0.266 -11.834 637 H VAL 87 H VAL 87 3.276 -0.609 -6.821 638 HA VAL 87 HA VAL 87 5.077 -1.731 -4.784 639 HB VAL 87 HB VAL 87 2.062 -1.578 -4.695 640 HG11 VAL 87 1HG1 VAL 87 3.810 -1.908 -2.305 641 HG12 VAL 87 2HG1 VAL 87 2.153 -2.452 -2.577 642 HG13 VAL 87 3HG1 VAL 87 3.498 -3.307 -3.332 643 HG21 VAL 87 1HG2 VAL 87 3.735 0.110 -2.929 644 HG22 VAL 87 2HG2 VAL 87 3.613 0.595 -4.620 645 HG23 VAL 87 3HG2 VAL 87 2.155 0.432 -3.642 646 H ARG 88 H ARG 88 5.770 -3.697 -5.317 647 HA ARG 88 HA ARG 88 3.834 -5.586 -6.488 648 HB2 ARG 88 1HB ARG 88 5.773 -6.720 -7.535 649 HB3 ARG 88 2HB ARG 88 5.556 -5.071 -8.105 650 HG2 ARG 88 1HG ARG 88 7.323 -4.352 -6.511 651 HG3 ARG 88 2HG ARG 88 7.596 -6.052 -6.123 652 HD2 ARG 88 1HD ARG 88 9.215 -5.416 -7.753 653 HD3 ARG 88 2HD ARG 88 8.032 -6.448 -8.553 654 HE ARG 88 HE ARG 88 7.336 -3.714 -8.829 655 HH11 ARG 88 1HH1 ARG 88 9.544 -6.130 -10.015 656 HH12 ARG 88 2HH1 ARG 88 9.756 -5.367 -11.556 657 HH21 ARG 88 1HH2 ARG 88 7.607 -2.700 -10.854 658 HH22 ARG 88 2HH2 ARG 88 8.654 -3.416 -12.032 659 H TYR 89 H TYR 89 3.412 -7.362 -5.346 660 HA TYR 89 HA TYR 89 5.355 -8.258 -3.335 661 HB2 TYR 89 1HB TYR 89 3.821 -8.317 -1.606 662 HB3 TYR 89 2HB TYR 89 3.310 -6.865 -2.460 663 HD1 TYR 89 2HD TYR 89 2.568 -10.477 -2.043 664 HD2 TYR 89 1HD TYR 89 1.132 -6.685 -3.331 665 HE1 TYR 89 2HE TYR 89 0.308 -11.419 -2.278 666 HE2 TYR 89 1HE TYR 89 -1.132 -7.616 -3.569 667 HH TYR 89 HH TYR 89 -2.274 -9.648 -3.782 668 H ARG 90 H ARG 90 4.949 -10.492 -2.593 669 HA ARG 90 HA ARG 90 3.511 -12.117 -4.576 670 HB2 ARG 90 1HB ARG 90 5.783 -12.301 -5.255 671 HB3 ARG 90 2HB ARG 90 6.337 -12.490 -3.596 672 HG2 ARG 90 1HG ARG 90 5.234 -14.670 -3.478 673 HG3 ARG 90 2HG ARG 90 4.693 -14.480 -5.147 674 HD2 ARG 90 1HD ARG 90 7.578 -14.477 -4.272 675 HD3 ARG 90 2HD ARG 90 6.727 -15.889 -4.898 676 HE ARG 90 HE ARG 90 6.354 -14.075 -6.848 677 HH11 ARG 90 1HH1 ARG 90 9.194 -15.143 -5.142 678 HH12 ARG 90 2HH1 ARG 90 10.262 -14.861 -6.477 679 HH21 ARG 90 1HH2 ARG 90 7.749 -13.699 -8.613 680 HH22 ARG 90 2HH2 ARG 90 9.439 -14.038 -8.451 681 H MET 91 H MET 91 2.437 -13.870 -3.784 682 HA MET 91 HA MET 91 2.894 -14.716 -1.034 683 HB2 MET 91 1HB MET 91 1.190 -12.881 -0.969 684 HB3 MET 91 2HB MET 91 0.148 -13.879 -1.974 685 HG2 MET 91 1HG MET 91 -0.281 -15.375 -0.288 686 HG3 MET 91 2HG MET 91 1.206 -14.990 0.576 687 HE1 MET 91 1HE MET 91 -2.716 -13.234 0.154 688 HE2 MET 91 2HE MET 91 -1.802 -11.731 0.027 689 HE3 MET 91 3HE MET 91 -1.463 -13.066 -1.076 690 H TYR 92 H TYR 92 2.621 -16.855 -0.778 691 HA TYR 92 HA TYR 92 1.267 -18.328 -2.943 692 HB2 TYR 92 1HB TYR 92 2.908 -20.213 -2.213 693 HB3 TYR 92 2HB TYR 92 3.496 -18.919 -3.251 694 HD1 TYR 92 2HD TYR 92 4.796 -17.022 -2.199 695 HD2 TYR 92 1HD TYR 92 3.879 -20.610 -0.103 696 HE1 TYR 92 2HE TYR 92 6.574 -16.522 -0.575 697 HE2 TYR 92 1HE TYR 92 5.654 -20.118 1.527 698 HH TYR 92 HH TYR 92 6.920 -17.317 2.078 699 H ALA 93 H ALA 93 -0.283 -17.536 -0.904 700 HA ALA 93 HA ALA 93 -0.919 -20.064 0.402 701 HB1 ALA 93 1HB ALA 93 -1.377 -18.569 2.530 702 HB2 ALA 93 2HB ALA 93 0.207 -19.284 2.228 703 HB3 ALA 93 3HB ALA 93 -0.087 -17.592 1.827 704 H SER 94 H SER 94 -3.094 -20.111 1.289 705 HA SER 94 HA SER 94 -5.089 -19.386 -0.352 706 HB2 SER 94 1HB SER 94 -6.639 -19.475 1.577 707 HB3 SER 94 2HB SER 94 -5.464 -20.790 1.612 708 HG SER 94 HG SER 94 -4.365 -19.766 3.224 709 H TYR 95 H TYR 95 -5.441 -17.480 -1.283 710 HA TYR 95 HA TYR 95 -5.377 -15.063 0.401 711 HB2 TYR 95 1HB TYR 95 -3.806 -14.557 -1.188 712 HB3 TYR 95 2HB TYR 95 -4.545 -15.592 -2.405 713 HD1 TYR 95 1HD TYR 95 -5.932 -12.735 -0.441 714 HD2 TYR 95 2HD TYR 95 -4.941 -14.286 -4.277 715 HE1 TYR 95 1HE TYR 95 -6.947 -10.758 -1.497 716 HE2 TYR 95 2HE TYR 95 -5.952 -12.314 -5.343 717 HH TYR 95 HH TYR 95 -7.000 -9.558 -3.489 718 H LYS 96 H LYS 96 -7.500 -15.106 1.093 719 HA LYS 96 HA LYS 96 -9.591 -15.047 -0.968 720 HB2 LYS 96 1HB LYS 96 -9.600 -16.574 1.177 721 HB3 LYS 96 2HB LYS 96 -10.185 -15.115 1.964 722 HG2 LYS 96 1HG LYS 96 -11.996 -15.028 0.226 723 HG3 LYS 96 2HG LYS 96 -11.472 -16.632 -0.289 724 HD2 LYS 96 1HD LYS 96 -12.099 -16.119 2.589 725 HD3 LYS 96 2HD LYS 96 -13.409 -16.390 1.438 726 HE2 LYS 96 1HE LYS 96 -11.069 -18.257 1.768 727 HE3 LYS 96 2HE LYS 96 -12.586 -18.437 2.648 728 HZ1 LYS 96 1HZ LYS 96 -12.815 -19.809 0.801 729 HZ2 LYS 96 2HZ LYS 96 -12.106 -18.694 -0.255 730 HZ3 LYS 96 3HZ LYS 96 -13.658 -18.412 0.353 731 H ASN 97 H ASN 97 -8.596 -13.332 1.990 732 HA ASN 97 HA ASN 97 -9.564 -10.842 0.798 733 HB2 ASN 97 1HB ASN 97 -10.166 -11.382 3.687 734 HB3 ASN 97 2HB ASN 97 -10.927 -10.234 2.590 735 HD21 ASN 97 1HD2 ASN 97 -11.616 -11.723 0.470 736 HD22 ASN 97 2HD2 ASN 97 -12.747 -12.949 0.923 737 H LEU 98 H LEU 98 -8.212 -9.180 1.109 738 HA LEU 98 HA LEU 98 -6.182 -9.411 3.228 739 HB2 LEU 98 1HB LEU 98 -5.611 -8.187 0.549 740 HB3 LEU 98 2HB LEU 98 -4.468 -8.679 1.797 741 HG LEU 98 HG LEU 98 -6.150 -10.693 0.338 742 HD11 LEU 98 1HD1 LEU 98 -3.984 -10.998 -1.032 743 HD12 LEU 98 2HD1 LEU 98 -3.647 -9.330 -0.572 744 HD13 LEU 98 3HD1 LEU 98 -5.106 -9.715 -1.485 745 HD21 LEU 98 1HD2 LEU 98 -4.927 -11.276 2.449 746 HD22 LEU 98 2HD2 LEU 98 -3.423 -10.933 1.594 747 HD23 LEU 98 3HD2 LEU 98 -4.477 -12.234 1.038 748 H LYS 99 H LYS 99 -5.182 -7.322 3.809 749 HA LYS 99 HA LYS 99 -7.015 -5.057 3.372 750 HB2 LYS 99 1HB LYS 99 -7.504 -5.575 5.574 751 HB3 LYS 99 2HB LYS 99 -5.877 -6.149 5.911 752 HG2 LYS 99 1HG LYS 99 -5.063 -4.036 6.300 753 HG3 LYS 99 2HG LYS 99 -6.310 -3.259 5.321 754 HD2 LYS 99 1HD LYS 99 -6.435 -3.036 7.889 755 HD3 LYS 99 2HD LYS 99 -7.910 -3.430 7.003 756 HE2 LYS 99 1HE LYS 99 -7.886 -5.644 7.702 757 HE3 LYS 99 2HE LYS 99 -6.166 -5.608 8.084 758 HZ1 LYS 99 1HZ LYS 99 -7.235 -5.577 10.138 759 HZ2 LYS 99 2HZ LYS 99 -8.413 -4.475 9.632 760 HZ3 LYS 99 3HZ LYS 99 -6.823 -3.956 9.882 761 H VAL 100 H VAL 100 -6.098 -3.182 2.784 762 HA VAL 100 HA VAL 100 -3.162 -3.094 2.661 763 HB VAL 100 HB VAL 100 -5.181 -1.443 1.135 764 HG11 VAL 100 1HG1 VAL 100 -3.384 -0.503 -0.061 765 HG12 VAL 100 2HG1 VAL 100 -2.912 -0.411 1.637 766 HG13 VAL 100 3HG1 VAL 100 -2.232 -1.664 0.598 767 HG21 VAL 100 1HG2 VAL 100 -4.783 -2.804 -0.735 768 HG22 VAL 100 2HG2 VAL 100 -3.376 -3.564 0.009 769 HG23 VAL 100 3HG2 VAL 100 -4.995 -3.933 0.604 770 H GLU 101 H GLU 101 -2.007 -1.438 3.549 771 HA GLU 101 HA GLU 101 -3.437 0.789 4.784 772 HB2 GLU 101 1HB GLU 101 -1.945 -1.337 6.235 773 HB3 GLU 101 2HB GLU 101 -1.745 0.317 6.797 774 HG2 GLU 101 1HG GLU 101 -4.326 0.388 6.775 775 HG3 GLU 101 2HG GLU 101 -4.209 -1.371 6.742 776 H ILE 102 H ILE 102 -2.497 2.513 3.920 777 HA ILE 102 HA ILE 102 0.435 2.509 3.616 778 HB ILE 102 HB ILE 102 -1.430 4.283 2.058 779 HG12 ILE 102 1HG1 ILE 102 -0.741 2.479 0.211 780 HG13 ILE 102 2HG1 ILE 102 -0.708 1.426 1.621 781 HG21 ILE 102 1HG2 ILE 102 0.557 5.194 1.573 782 HG22 ILE 102 2HG2 ILE 102 1.450 3.795 2.167 783 HG23 ILE 102 3HG2 ILE 102 0.783 3.787 0.535 784 HD11 ILE 102 1HD1 ILE 102 -3.065 3.136 0.883 785 HD12 ILE 102 2HD1 ILE 102 -2.864 1.461 0.369 786 HD13 ILE 102 3HD1 ILE 102 -2.997 1.847 2.084 787 H LYS 103 H LYS 103 1.534 3.919 4.805 788 HA LYS 103 HA LYS 103 0.170 6.341 5.763 789 HB2 LYS 103 1HB LYS 103 2.026 4.644 7.439 790 HB3 LYS 103 2HB LYS 103 1.176 6.095 7.954 791 HG2 LYS 103 1HG LYS 103 -0.930 4.996 7.850 792 HG3 LYS 103 2HG LYS 103 -0.221 3.589 7.054 793 HD2 LYS 103 1HD LYS 103 1.017 3.025 9.039 794 HD3 LYS 103 2HD LYS 103 0.502 4.516 9.832 795 HE2 LYS 103 1HE LYS 103 -1.765 3.767 9.920 796 HE3 LYS 103 2HE LYS 103 -1.403 2.376 8.899 797 HZ1 LYS 103 1HZ LYS 103 -0.210 1.349 10.611 798 HZ2 LYS 103 2HZ LYS 103 -1.590 1.962 11.372 799 HZ3 LYS 103 3HZ LYS 103 -0.109 2.765 11.531 800 H PHE 104 H PHE 104 1.636 8.076 6.392 801 HA PHE 104 HA PHE 104 4.334 7.860 5.264 802 HB2 PHE 104 1HB PHE 104 3.089 8.862 3.480 803 HB3 PHE 104 2HB PHE 104 2.289 9.975 4.585 804 HD1 PHE 104 1HD PHE 104 5.885 9.076 4.276 805 HD2 PHE 104 2HD PHE 104 2.907 12.095 3.904 806 HE1 PHE 104 1HE PHE 104 7.639 10.749 3.853 807 HE2 PHE 104 2HE PHE 104 4.656 13.772 3.479 808 HZ PHE 104 HZ PHE 104 7.025 13.101 3.452 809 H GLN 105 H GLN 105 5.588 8.194 6.984 810 HA GLN 105 HA GLN 105 6.451 9.084 8.895 811 HB2 GLN 105 1HB GLN 105 5.328 11.553 7.573 812 HB3 GLN 105 2HB GLN 105 6.320 11.609 9.024 813 HG2 GLN 105 1HG GLN 105 7.969 10.187 7.550 814 HG3 GLN 105 2HG GLN 105 7.076 10.941 6.231 815 HE21 GLN 105 1HE2 GLN 105 7.828 12.805 5.541 816 HE22 GLN 105 2HE2 GLN 105 8.822 13.899 6.435 817 H GLY 106 H GLY 106 3.719 8.046 9.006 818 HA2 GLY 106 1HA GLY 106 2.336 7.764 10.875 819 HA3 GLY 106 2HA GLY 106 2.984 9.250 11.552 820 H GLN 107 H GLN 107 1.535 8.742 8.362 821 HA GLN 107 HA GLN 107 -0.920 10.049 9.129 822 HB2 GLN 107 1HB GLN 107 0.992 11.397 7.215 823 HB3 GLN 107 2HB GLN 107 -0.673 11.891 7.488 824 HG2 GLN 107 1HG GLN 107 -0.169 12.412 9.800 825 HG3 GLN 107 2HG GLN 107 1.488 11.850 9.582 826 HE21 GLN 107 1HE2 GLN 107 2.875 13.048 8.190 827 HE22 GLN 107 2HE2 GLN 107 2.591 14.727 7.903 828 H HIS 108 H HIS 108 -2.496 9.086 8.045 829 HA HIS 108 HA HIS 108 -2.090 7.176 6.054 830 HB2 HIS 108 1HB HIS 108 -4.478 8.642 7.091 831 HB3 HIS 108 2HB HIS 108 -4.646 7.696 5.615 832 HD1 HIS 108 1HD HIS 108 -4.494 5.127 5.829 833 HD2 HIS 108 2HD HIS 108 -4.135 7.154 9.438 834 HE1 HIS 108 1HE HIS 108 -4.734 3.371 7.613 835 HE2 HIS 108 2HE HIS 108 -4.599 4.633 9.788 836 H VAL 109 H VAL 109 -2.379 7.175 3.828 837 HA VAL 109 HA VAL 109 -2.260 9.836 2.568 838 HB VAL 109 HB VAL 109 -1.159 7.202 1.579 839 HG11 VAL 109 1HG1 VAL 109 -0.217 8.511 -0.273 840 HG12 VAL 109 2HG1 VAL 109 -1.982 8.536 -0.278 841 HG13 VAL 109 3HG1 VAL 109 -1.081 9.936 0.306 842 HG21 VAL 109 1HG2 VAL 109 0.713 9.385 1.840 843 HG22 VAL 109 2HG2 VAL 109 -0.086 9.043 3.375 844 HG23 VAL 109 3HG2 VAL 109 0.778 7.761 2.525 845 H ALA 110 H ALA 110 -3.815 6.708 2.534 846 HA ALA 110 HA ALA 110 -5.721 7.737 0.536 847 HB1 ALA 110 1HB ALA 110 -5.060 6.082 -0.802 848 HB2 ALA 110 2HB ALA 110 -4.146 5.299 0.487 849 HB3 ALA 110 3HB ALA 110 -5.874 4.989 0.318 850 H LYS 111 H LYS 111 -7.698 5.995 0.599 851 HA LYS 111 HA LYS 111 -8.910 6.446 3.157 852 HB2 LYS 111 1HB LYS 111 -9.776 5.351 0.530 853 HB3 LYS 111 2HB LYS 111 -10.708 4.879 1.946 854 HG2 LYS 111 1HG LYS 111 -10.107 7.762 1.579 855 HG3 LYS 111 2HG LYS 111 -11.309 7.019 0.521 856 HD2 LYS 111 1HD LYS 111 -12.654 7.676 2.253 857 HD3 LYS 111 2HD LYS 111 -12.218 6.056 2.803 858 HE2 LYS 111 1HE LYS 111 -12.034 7.772 4.577 859 HE3 LYS 111 2HE LYS 111 -10.510 6.952 4.243 860 HZ1 LYS 111 1HZ LYS 111 -10.776 9.257 2.618 861 HZ2 LYS 111 2HZ LYS 111 -9.568 8.877 3.738 862 HZ3 LYS 111 3HZ LYS 111 -10.972 9.672 4.247 863 H SER 112 H SER 112 -6.767 4.967 3.744 864 HA SER 112 HA SER 112 -7.558 2.165 3.907 865 HB2 SER 112 1HB SER 112 -5.023 3.678 4.255 866 HB3 SER 112 2HB SER 112 -5.209 2.204 5.206 867 HG SER 112 HG SER 112 -5.150 1.028 3.429 868 HA PRO 113 HA PRO 113 -6.316 0.563 5.359 869 HB2 PRO 113 1HB PRO 113 -7.731 -1.396 6.596 870 HB3 PRO 113 2HB PRO 113 -6.327 -0.614 7.332 871 HG2 PRO 113 1HG PRO 113 -9.240 -0.089 7.781 872 HG3 PRO 113 2HG PRO 113 -7.927 -0.199 8.968 873 HD2 PRO 113 1HD PRO 113 -8.909 2.170 8.097 874 HD3 PRO 113 2HD PRO 113 -7.209 1.953 8.560 875 H TYR 114 H TYR 114 -7.191 -1.274 4.067 876 HA TYR 114 HA TYR 114 -9.806 -0.571 2.904 877 HB2 TYR 114 1HB TYR 114 -7.242 -1.474 1.644 878 HB3 TYR 114 2HB TYR 114 -8.773 -1.833 0.853 879 HD1 TYR 114 1HD TYR 114 -10.325 0.130 0.328 880 HD2 TYR 114 2HD TYR 114 -6.236 0.624 1.392 881 HE1 TYR 114 1HE TYR 114 -10.346 2.381 -0.664 882 HE2 TYR 114 2HE TYR 114 -6.245 2.877 0.405 883 HH TYR 114 HH TYR 114 -9.084 4.128 -1.293 884 H ILE 115 H ILE 115 -11.350 -2.062 2.996 885 HA ILE 115 HA ILE 115 -10.602 -4.791 3.791 886 HB ILE 115 HB ILE 115 -13.392 -3.682 3.901 887 HG12 ILE 115 1HG1 ILE 115 -12.286 -2.093 5.222 888 HG13 ILE 115 2HG1 ILE 115 -12.805 -3.302 6.391 889 HG21 ILE 115 1HG2 ILE 115 -13.033 -6.117 4.123 890 HG22 ILE 115 2HG2 ILE 115 -12.015 -5.812 5.529 891 HG23 ILE 115 3HG2 ILE 115 -13.727 -5.390 5.571 892 HD11 ILE 115 1HD1 ILE 115 -10.107 -2.512 5.558 893 HD12 ILE 115 2HD1 ILE 115 -10.688 -3.141 7.100 894 HD13 ILE 115 3HD1 ILE 115 -10.359 -4.245 5.764 895 H LEU 116 H LEU 116 -10.381 -6.051 2.049 896 HA LEU 116 HA LEU 116 -12.457 -5.904 -0.037 897 HB2 LEU 116 1HB LEU 116 -9.671 -6.988 -0.379 898 HB3 LEU 116 2HB LEU 116 -10.858 -6.651 -1.637 899 HG LEU 116 HG LEU 116 -9.908 -4.381 0.034 900 HD11 LEU 116 1HD1 LEU 116 -8.085 -4.178 -1.838 901 HD12 LEU 116 2HD1 LEU 116 -8.235 -5.934 -1.879 902 HD13 LEU 116 3HD1 LEU 116 -7.780 -5.123 -0.380 903 HD21 LEU 116 1HD2 LEU 116 -10.203 -3.170 -2.049 904 HD22 LEU 116 2HD2 LEU 116 -11.657 -4.092 -1.665 905 HD23 LEU 116 3HD2 LEU 116 -10.541 -4.677 -2.901 906 H LYS 117 H LYS 117 -13.888 -7.454 0.475 907 HA LYS 117 HA LYS 117 -12.852 -10.189 0.798 908 HB2 LYS 117 1HB LYS 117 -14.575 -10.679 2.431 909 HB3 LYS 117 2HB LYS 117 -13.622 -9.305 2.977 910 HG2 LYS 117 1HG LYS 117 -16.103 -8.757 1.443 911 HG3 LYS 117 2HG LYS 117 -16.255 -9.318 3.109 912 HD2 LYS 117 1HD LYS 117 -14.871 -7.483 3.884 913 HD3 LYS 117 2HD LYS 117 -14.607 -6.950 2.222 914 HE2 LYS 117 1HE LYS 117 -16.286 -5.534 3.016 915 HE3 LYS 117 2HE LYS 117 -17.156 -6.750 2.083 916 HZ1 LYS 117 1HZ LYS 117 -16.874 -6.652 5.036 917 HZ2 LYS 117 2HZ LYS 117 -17.598 -7.924 4.189 918 HZ3 LYS 117 3HZ LYS 117 -18.286 -6.380 4.145 919 H GLY 118 H GLY 118 -14.167 -8.408 -1.378 920 HA2 GLY 118 1HA GLY 118 -15.601 -8.726 -3.141 921 HA3 GLY 118 2HA GLY 118 -15.421 -10.442 -2.809 922 H SER 119 H SER 119 -17.469 -7.703 -2.599 923 HA SER 119 HA SER 119 -19.599 -9.409 -1.515 924 HB2 SER 119 1HB SER 119 -18.631 -7.808 0.227 925 HB3 SER 119 2HB SER 119 -19.326 -6.505 -0.737 926 HG SER 119 HG SER 119 -21.273 -7.060 -0.107 927 H GLY 120 H GLY 120 -21.076 -9.587 -3.060 928 HA2 GLY 120 1HA GLY 120 -22.910 -8.502 -4.217 929 HA3 GLY 120 2HA GLY 120 -21.833 -7.151 -4.543 930 HA PRO 121 HA PRO 121 -21.776 -10.610 -7.903 931 HB2 PRO 121 1HB PRO 121 -23.848 -9.861 -9.489 932 HB3 PRO 121 2HB PRO 121 -24.018 -11.032 -8.176 933 HG2 PRO 121 1HG PRO 121 -24.696 -8.117 -8.214 934 HG3 PRO 121 2HG PRO 121 -25.619 -9.471 -7.537 935 HD2 PRO 121 1HD PRO 121 -24.110 -7.826 -6.005 936 HD3 PRO 121 2HD PRO 121 -24.346 -9.543 -5.617 937 H SER 122 H SER 122 -20.176 -10.026 -9.218 938 HA SER 122 HA SER 122 -20.392 -7.460 -10.648 939 HB2 SER 122 1HB SER 122 -18.688 -7.409 -8.799 940 HB3 SER 122 2HB SER 122 -17.804 -8.673 -9.655 941 HG SER 122 HG SER 122 -18.026 -7.035 -11.498 942 H SER 123 H SER 123 -20.477 -7.732 -12.767 943 HA SER 123 HA SER 123 -19.353 -10.193 -13.923 944 HB2 SER 123 1HB SER 123 -21.683 -8.462 -14.662 945 HB3 SER 123 2HB SER 123 -20.878 -9.404 -15.917 946 HG SER 123 HG SER 123 -21.168 -11.153 -14.140 947 H GLY 124 H GLY 124 -17.505 -9.985 -14.985 948 HA2 GLY 124 1HA GLY 124 -16.886 -8.471 -17.117 949 HA3 GLY 124 2HA GLY 124 -16.567 -7.362 -15.792 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -5.488 7.630 16.116 2 HA2 GLY 1 1HA GLY 1 -3.309 8.759 16.171 3 HA3 GLY 1 2HA GLY 1 -3.060 8.188 14.528 4 H SER 2 H SER 2 -3.353 10.917 15.998 5 HA SER 2 HA SER 2 -5.451 12.085 14.320 6 HB2 SER 2 1HB SER 2 -5.138 14.108 15.729 7 HB3 SER 2 2HB SER 2 -5.549 12.680 16.680 8 HG SER 2 HG SER 2 -3.837 13.274 17.767 9 H SER 3 H SER 3 -4.834 14.446 13.618 10 HA SER 3 HA SER 3 -2.502 14.158 11.910 11 HB2 SER 3 1HB SER 3 -4.813 16.081 12.009 12 HB3 SER 3 2HB SER 3 -3.386 16.436 11.034 13 HG SER 3 HG SER 3 -3.739 14.469 9.934 14 H GLY 4 H GLY 4 -1.280 16.345 11.525 15 HA2 GLY 4 1HA GLY 4 -0.942 18.080 13.760 16 HA3 GLY 4 2HA GLY 4 0.320 16.857 13.719 17 H SER 5 H SER 5 0.482 19.777 13.375 18 HA SER 5 HA SER 5 1.989 19.749 10.870 19 HB2 SER 5 1HB SER 5 -0.138 21.784 11.567 20 HB3 SER 5 2HB SER 5 1.061 22.019 10.296 21 HG SER 5 HG SER 5 -0.779 19.861 10.423 22 H SER 6 H SER 6 3.973 20.442 11.268 23 HA SER 6 HA SER 6 4.482 22.792 12.834 24 HB2 SER 6 1HB SER 6 4.237 20.718 14.441 25 HB3 SER 6 2HB SER 6 5.871 20.355 13.884 26 HG SER 6 HG SER 6 5.346 22.968 14.693 27 H GLY 7 H GLY 7 6.552 23.626 12.515 28 HA2 GLY 7 1HA GLY 7 8.831 22.486 11.605 29 HA3 GLY 7 2HA GLY 7 7.873 22.643 10.140 30 H GLU 8 H GLU 8 10.198 23.929 10.132 31 HA GLU 8 HA GLU 8 10.160 26.550 11.199 32 HB2 GLU 8 1HB GLU 8 12.238 25.439 10.528 33 HB3 GLU 8 2HB GLU 8 11.709 25.440 8.852 34 HG2 GLU 8 1HG GLU 8 13.287 27.206 9.168 35 HG3 GLU 8 2HG GLU 8 11.693 27.910 8.898 36 H THR 9 H THR 9 8.936 28.202 10.614 37 HA THR 9 HA THR 9 7.141 28.189 8.480 38 HB THR 9 HB THR 9 6.945 29.673 10.462 39 HG1 THR 9 1HG THR 9 6.836 31.607 8.587 40 HG21 THR 9 1HG2 THR 9 8.248 31.606 10.743 41 HG22 THR 9 2HG2 THR 9 8.898 31.511 9.107 42 HG23 THR 9 3HG2 THR 9 9.415 30.351 10.330 43 H GLY 10 H GLY 10 7.325 28.600 6.369 44 HA2 GLY 10 1HA GLY 10 8.131 29.520 4.400 45 HA3 GLY 10 2HA GLY 10 9.319 30.410 5.340 46 H GLY 11 H GLY 11 8.828 27.859 3.206 47 HA2 GLY 11 1HA GLY 11 11.593 27.262 3.039 48 HA3 GLY 11 2HA GLY 11 10.760 25.987 3.916 49 H GLU 12 H GLU 12 10.931 24.366 2.437 50 HA GLU 12 HA GLU 12 10.322 24.788 -0.343 51 HB2 GLU 12 1HB GLU 12 10.839 22.476 -0.647 52 HB3 GLU 12 2HB GLU 12 12.006 23.127 0.495 53 HG2 GLU 12 1HG GLU 12 10.915 22.091 2.331 54 HG3 GLU 12 2HG GLU 12 9.533 21.642 1.334 55 H ARG 13 H ARG 13 8.785 23.061 -1.369 56 HA ARG 13 HA ARG 13 6.176 23.721 -0.724 57 HB2 ARG 13 1HB ARG 13 5.527 21.753 -2.117 58 HB3 ARG 13 2HB ARG 13 6.701 22.813 -2.886 59 HG2 ARG 13 1HG ARG 13 8.476 21.204 -2.027 60 HG3 ARG 13 2HG ARG 13 7.141 20.101 -1.686 61 HD2 ARG 13 1HD ARG 13 7.738 19.435 -3.804 62 HD3 ARG 13 2HD ARG 13 6.475 20.611 -4.160 63 HE ARG 13 HE ARG 13 8.043 21.890 -5.208 64 HH11 ARG 13 1HH1 ARG 13 9.664 19.704 -3.037 65 HH12 ARG 13 2HH1 ARG 13 11.253 20.164 -3.551 66 HH21 ARG 13 1HH2 ARG 13 10.130 22.504 -5.894 67 HH22 ARG 13 2HH2 ARG 13 11.517 21.758 -5.176 68 H GLN 14 H GLN 14 4.451 21.978 -0.203 69 HA GLN 14 HA GLN 14 5.367 20.312 2.041 70 HB2 GLN 14 1HB GLN 14 3.046 22.232 1.980 71 HB3 GLN 14 2HB GLN 14 3.147 20.922 3.149 72 HG2 GLN 14 1HG GLN 14 5.240 21.827 4.000 73 HG3 GLN 14 2HG GLN 14 5.167 23.128 2.813 74 HE21 GLN 14 1HE2 GLN 14 5.214 23.220 5.742 75 HE22 GLN 14 2HE2 GLN 14 3.803 24.102 6.208 76 H LEU 15 H LEU 15 5.154 18.340 1.124 77 HA LEU 15 HA LEU 15 3.022 17.630 -0.624 78 HB2 LEU 15 1HB LEU 15 4.838 16.317 -1.024 79 HB3 LEU 15 2HB LEU 15 5.292 16.238 0.677 80 HG LEU 15 HG LEU 15 3.490 14.602 1.059 81 HD11 LEU 15 1HD1 LEU 15 2.921 15.229 -1.780 82 HD12 LEU 15 2HD1 LEU 15 1.819 14.844 -0.458 83 HD13 LEU 15 3HD1 LEU 15 2.720 13.556 -1.258 84 HD21 LEU 15 1HD2 LEU 15 5.934 14.130 0.120 85 HD22 LEU 15 2HD2 LEU 15 5.004 13.464 -1.222 86 HD23 LEU 15 3HD2 LEU 15 4.768 12.839 0.411 87 H SER 16 H SER 16 1.022 17.025 -0.141 88 HA SER 16 HA SER 16 0.413 16.309 2.646 89 HB2 SER 16 1HB SER 16 -1.158 17.668 0.486 90 HB3 SER 16 2HB SER 16 -2.012 16.803 1.763 91 HG SER 16 HG SER 16 -0.498 18.127 3.179 92 HA PRO 17 HA PRO 17 -0.151 12.185 1.008 93 HB2 PRO 17 1HB PRO 17 -0.658 11.032 3.413 94 HB3 PRO 17 2HB PRO 17 0.972 11.446 2.871 95 HG2 PRO 17 1HG PRO 17 -0.846 12.941 4.721 96 HG3 PRO 17 2HG PRO 17 0.894 12.635 4.868 97 HD2 PRO 17 1HD PRO 17 -0.101 14.995 3.990 98 HD3 PRO 17 2HD PRO 17 1.444 14.337 3.415 99 H GLU 18 H GLU 18 -2.365 13.968 3.065 100 HA GLU 18 HA GLU 18 -4.558 12.183 2.854 101 HB2 GLU 18 1HB GLU 18 -5.909 14.080 3.661 102 HB3 GLU 18 2HB GLU 18 -4.460 13.842 4.627 103 HG2 GLU 18 1HG GLU 18 -3.368 15.683 3.491 104 HG3 GLU 18 2HG GLU 18 -4.777 15.900 2.455 105 H LYS 19 H LYS 19 -3.601 15.067 1.034 106 HA LYS 19 HA LYS 19 -5.879 15.141 -0.642 107 HB2 LYS 19 1HB LYS 19 -3.092 16.232 -1.068 108 HB3 LYS 19 2HB LYS 19 -4.475 16.606 -2.088 109 HG2 LYS 19 1HG LYS 19 -5.484 17.262 0.316 110 HG3 LYS 19 2HG LYS 19 -3.773 17.595 0.595 111 HD2 LYS 19 1HD LYS 19 -4.549 19.619 -0.224 112 HD3 LYS 19 2HD LYS 19 -3.906 18.847 -1.675 113 HE2 LYS 19 1HE LYS 19 -5.924 19.480 -2.499 114 HE3 LYS 19 2HE LYS 19 -6.403 17.932 -1.806 115 HZ1 LYS 19 1HZ LYS 19 -6.931 20.649 -0.820 116 HZ2 LYS 19 2HZ LYS 19 -6.848 19.375 0.288 117 HZ3 LYS 19 3HZ LYS 19 -7.987 19.335 -0.962 118 H SER 20 H SER 20 -2.774 13.511 -0.866 119 HA SER 20 HA SER 20 -2.696 12.766 -3.506 120 HB2 SER 20 1HB SER 20 -1.930 11.102 -1.095 121 HB3 SER 20 2HB SER 20 -1.442 10.755 -2.754 122 HG SER 20 HG SER 20 -0.850 13.143 -1.336 123 H GLU 21 H GLU 21 -3.590 11.181 -4.767 124 HA GLU 21 HA GLU 21 -5.843 9.700 -3.577 125 HB2 GLU 21 1HB GLU 21 -5.555 10.692 -6.419 126 HB3 GLU 21 2HB GLU 21 -6.921 9.786 -5.782 127 HG2 GLU 21 1HG GLU 21 -6.150 12.344 -4.471 128 HG3 GLU 21 2HG GLU 21 -7.014 12.389 -6.007 129 H ILE 22 H ILE 22 -5.788 7.550 -3.692 130 HA ILE 22 HA ILE 22 -3.729 6.313 -5.393 131 HB ILE 22 HB ILE 22 -5.064 5.140 -2.951 132 HG12 ILE 22 1HG1 ILE 22 -2.330 6.392 -3.288 133 HG13 ILE 22 2HG1 ILE 22 -3.659 7.034 -2.329 134 HG21 ILE 22 1HG2 ILE 22 -3.087 4.135 -4.922 135 HG22 ILE 22 2HG2 ILE 22 -2.866 3.685 -3.232 136 HG23 ILE 22 3HG2 ILE 22 -4.367 3.279 -4.062 137 HD11 ILE 22 1HD1 ILE 22 -1.834 4.761 -1.763 138 HD12 ILE 22 2HD1 ILE 22 -2.391 6.059 -0.706 139 HD13 ILE 22 3HD1 ILE 22 -3.471 4.724 -1.108 140 H TRP 23 H TRP 23 -4.303 4.944 -6.964 141 HA TRP 23 HA TRP 23 -6.944 3.695 -6.908 142 HB2 TRP 23 1HB TRP 23 -7.581 4.450 -9.071 143 HB3 TRP 23 2HB TRP 23 -7.060 5.882 -8.188 144 HD1 TRP 23 HD TRP 23 -5.991 3.587 -11.064 145 HE1 TRP 23 1HE TRP 23 -4.198 4.800 -12.457 146 HE3 TRP 23 3HE TRP 23 -5.256 7.664 -8.068 147 HZ2 TRP 23 2HZ TRP 23 -2.675 7.172 -12.306 148 HZ3 TRP 23 3HZ TRP 23 -3.613 9.358 -8.764 149 HH2 TRP 23 HH TRP 23 -2.350 9.115 -10.839 150 H GLY 24 H GLY 24 -7.146 1.871 -8.323 151 HA2 GLY 24 1HA GLY 24 -5.274 0.892 -10.094 152 HA3 GLY 24 2HA GLY 24 -4.737 0.351 -8.510 153 HA PRO 25 HA PRO 25 -8.373 -2.212 -10.372 154 HB2 PRO 25 1HB PRO 25 -7.039 -4.028 -11.886 155 HB3 PRO 25 2HB PRO 25 -7.670 -2.512 -12.539 156 HG2 PRO 25 1HG PRO 25 -4.884 -3.189 -11.680 157 HG3 PRO 25 2HG PRO 25 -5.427 -2.296 -13.113 158 HD2 PRO 25 1HD PRO 25 -4.476 -1.059 -10.901 159 HD3 PRO 25 2HD PRO 25 -5.725 -0.338 -11.935 160 H GLY 26 H GLY 26 -5.661 -2.480 -8.505 161 HA2 GLY 26 1HA GLY 26 -5.851 -5.318 -7.930 162 HA3 GLY 26 2HA GLY 26 -4.764 -4.167 -7.167 163 H LEU 27 H LEU 27 -7.936 -3.032 -7.240 164 HA LEU 27 HA LEU 27 -8.292 -3.799 -4.423 165 HB2 LEU 27 1HB LEU 27 -9.382 -1.449 -5.963 166 HB3 LEU 27 2HB LEU 27 -9.785 -1.823 -4.289 167 HG LEU 27 HG LEU 27 -6.938 -1.364 -5.100 168 HD11 LEU 27 1HD1 LEU 27 -8.276 0.541 -5.936 169 HD12 LEU 27 2HD1 LEU 27 -7.163 0.987 -4.644 170 HD13 LEU 27 3HD1 LEU 27 -8.882 0.796 -4.300 171 HD21 LEU 27 1HD2 LEU 27 -6.640 -0.813 -2.809 172 HD22 LEU 27 2HD2 LEU 27 -7.585 -2.301 -2.859 173 HD23 LEU 27 3HD2 LEU 27 -8.380 -0.762 -2.526 174 H LYS 28 H LYS 28 -10.093 -3.266 -7.440 175 HA LYS 28 HA LYS 28 -12.615 -3.973 -6.807 176 HB2 LYS 28 1HB LYS 28 -12.690 -5.149 -9.085 177 HB3 LYS 28 2HB LYS 28 -12.213 -3.456 -9.061 178 HG2 LYS 28 1HG LYS 28 -9.797 -4.454 -8.930 179 HG3 LYS 28 2HG LYS 28 -10.579 -5.880 -9.616 180 HD2 LYS 28 1HD LYS 28 -10.963 -3.157 -10.817 181 HD3 LYS 28 2HD LYS 28 -9.567 -4.154 -11.231 182 HE2 LYS 28 1HE LYS 28 -12.314 -5.317 -11.380 183 HE3 LYS 28 2HE LYS 28 -11.744 -4.263 -12.673 184 HZ1 LYS 28 1HZ LYS 28 -10.698 -6.889 -11.836 185 HZ2 LYS 28 2HZ LYS 28 -9.707 -5.802 -12.669 186 HZ3 LYS 28 3HZ LYS 28 -11.135 -6.362 -13.383 187 H ALA 29 H ALA 29 -13.832 -5.996 -7.005 188 HA ALA 29 HA ALA 29 -12.899 -7.985 -5.288 189 HB1 ALA 29 1HB ALA 29 -14.961 -8.855 -5.475 190 HB2 ALA 29 2HB ALA 29 -15.309 -7.375 -6.369 191 HB3 ALA 29 3HB ALA 29 -14.912 -8.858 -7.238 192 H ASP 30 H ASP 30 -13.687 -8.599 -8.705 193 HA ASP 30 HA ASP 30 -12.016 -10.891 -8.831 194 HB2 ASP 30 1HB ASP 30 -13.161 -9.291 -11.128 195 HB3 ASP 30 2HB ASP 30 -12.583 -10.954 -11.192 196 H VAL 31 H VAL 31 -9.896 -10.493 -8.409 197 HA VAL 31 HA VAL 31 -8.500 -8.706 -10.292 198 HB VAL 31 HB VAL 31 -6.905 -8.107 -8.577 199 HG11 VAL 31 1HG1 VAL 31 -8.471 -6.479 -8.451 200 HG12 VAL 31 2HG1 VAL 31 -9.792 -7.617 -8.179 201 HG13 VAL 31 3HG1 VAL 31 -8.725 -7.168 -6.848 202 HG21 VAL 31 1HG2 VAL 31 -6.617 -9.218 -6.662 203 HG22 VAL 31 2HG2 VAL 31 -8.339 -9.177 -6.283 204 HG23 VAL 31 3HG2 VAL 31 -7.697 -10.440 -7.334 205 H VAL 32 H VAL 32 -6.046 -9.231 -10.251 206 HA VAL 32 HA VAL 32 -5.550 -11.626 -11.432 207 HB VAL 32 HB VAL 32 -3.192 -11.360 -10.898 208 HG11 VAL 32 1HG1 VAL 32 -3.135 -8.739 -11.395 209 HG12 VAL 32 2HG1 VAL 32 -3.584 -9.930 -12.617 210 HG13 VAL 32 3HG1 VAL 32 -4.836 -9.047 -11.742 211 HG21 VAL 32 1HG2 VAL 32 -4.239 -9.512 -8.783 212 HG22 VAL 32 2HG2 VAL 32 -3.092 -10.843 -8.627 213 HG23 VAL 32 3HG2 VAL 32 -2.600 -9.342 -9.412 214 H LEU 33 H LEU 33 -4.664 -13.628 -10.790 215 HA LEU 33 HA LEU 33 -5.788 -14.733 -8.453 216 HB2 LEU 33 1HB LEU 33 -3.998 -15.651 -10.614 217 HB3 LEU 33 2HB LEU 33 -3.915 -16.552 -9.101 218 HG LEU 33 HG LEU 33 -6.436 -16.825 -9.303 219 HD11 LEU 33 1HD1 LEU 33 -5.852 -15.965 -12.133 220 HD12 LEU 33 2HD1 LEU 33 -6.803 -15.061 -10.956 221 HD13 LEU 33 3HD1 LEU 33 -7.376 -16.624 -11.538 222 HD21 LEU 33 1HD2 LEU 33 -4.279 -18.165 -10.739 223 HD22 LEU 33 2HD2 LEU 33 -5.869 -18.425 -11.458 224 HD23 LEU 33 3HD2 LEU 33 -5.587 -18.840 -9.767 225 HA PRO 34 HA PRO 34 -1.302 -14.813 -6.668 226 HB2 PRO 34 1HB PRO 34 0.611 -13.451 -8.030 227 HB3 PRO 34 2HB PRO 34 0.234 -15.149 -8.343 228 HG2 PRO 34 1HG PRO 34 -0.655 -12.706 -9.827 229 HG3 PRO 34 2HG PRO 34 -0.095 -14.261 -10.468 230 HD2 PRO 34 1HD PRO 34 -2.718 -13.606 -10.320 231 HD3 PRO 34 2HD PRO 34 -2.139 -15.275 -10.141 232 H ALA 35 H ALA 35 -0.337 -11.876 -8.237 233 HA ALA 35 HA ALA 35 -1.653 -10.189 -6.261 234 HB1 ALA 35 1HB ALA 35 1.231 -10.828 -6.241 235 HB2 ALA 35 2HB ALA 35 0.798 -9.133 -6.006 236 HB3 ALA 35 3HB ALA 35 0.159 -10.366 -4.919 237 H ARG 36 H ARG 36 -1.593 -7.942 -6.781 238 HA ARG 36 HA ARG 36 -0.779 -7.380 -9.556 239 HB2 ARG 36 1HB ARG 36 -3.338 -7.556 -8.881 240 HB3 ARG 36 2HB ARG 36 -3.065 -5.909 -8.331 241 HG2 ARG 36 1HG ARG 36 -2.161 -6.629 -11.064 242 HG3 ARG 36 2HG ARG 36 -3.892 -6.445 -10.776 243 HD2 ARG 36 1HD ARG 36 -3.725 -4.207 -10.358 244 HD3 ARG 36 2HD ARG 36 -2.083 -4.338 -9.728 245 HE ARG 36 HE ARG 36 -1.339 -3.816 -11.811 246 HH11 ARG 36 1HH1 ARG 36 -4.502 -5.238 -12.110 247 HH12 ARG 36 2HH1 ARG 36 -4.578 -5.026 -13.827 248 HH21 ARG 36 1HH2 ARG 36 -1.427 -3.531 -14.072 249 HH22 ARG 36 2HH2 ARG 36 -2.828 -4.056 -14.943 250 H TYR 37 H TYR 37 -0.137 -5.217 -10.017 251 HA TYR 37 HA TYR 37 0.820 -3.774 -7.635 252 HB2 TYR 37 1HB TYR 37 2.637 -2.927 -8.987 253 HB3 TYR 37 2HB TYR 37 2.583 -4.680 -9.140 254 HD1 TYR 37 2HD TYR 37 1.939 -5.728 -11.237 255 HD2 TYR 37 1HD TYR 37 2.071 -1.491 -10.864 256 HE1 TYR 37 2HE TYR 37 1.849 -5.515 -13.686 257 HE2 TYR 37 1HE TYR 37 1.980 -1.267 -13.312 258 HH TYR 37 HH TYR 37 1.093 -3.730 -15.351 259 H PHE 38 H PHE 38 0.335 -1.660 -7.364 260 HA PHE 38 HA PHE 38 -1.294 -0.380 -9.460 261 HB2 PHE 38 1HB PHE 38 -2.486 0.811 -7.666 262 HB3 PHE 38 2HB PHE 38 -2.646 -0.935 -7.499 263 HD1 PHE 38 1HD PHE 38 -1.006 -2.096 -5.884 264 HD2 PHE 38 2HD PHE 38 -1.785 2.088 -5.871 265 HE1 PHE 38 1HE PHE 38 -0.175 -1.952 -3.572 266 HE2 PHE 38 2HE PHE 38 -0.955 2.240 -3.560 267 HZ PHE 38 HZ PHE 38 -0.148 0.218 -2.408 268 H TYR 39 H TYR 39 -1.419 2.144 -8.776 269 HA TYR 39 HA TYR 39 1.373 3.027 -8.444 270 HB2 TYR 39 1HB TYR 39 -0.635 4.547 -10.085 271 HB3 TYR 39 2HB TYR 39 1.122 4.639 -10.130 272 HD1 TYR 39 2HD TYR 39 2.221 2.205 -10.698 273 HD2 TYR 39 1HD TYR 39 -1.621 3.569 -11.916 274 HE1 TYR 39 2HE TYR 39 2.259 0.618 -12.577 275 HE2 TYR 39 1HE TYR 39 -1.594 1.985 -13.797 276 HH TYR 39 HH TYR 39 0.024 0.752 -15.143 277 H ILE 40 H ILE 40 1.755 4.851 -7.224 278 HA ILE 40 HA ILE 40 -0.569 5.912 -5.752 279 HB ILE 40 HB ILE 40 2.251 5.456 -4.783 280 HG12 ILE 40 1HG1 ILE 40 -0.346 4.452 -3.620 281 HG13 ILE 40 2HG1 ILE 40 0.561 3.549 -4.829 282 HG21 ILE 40 1HG2 ILE 40 1.165 6.319 -2.580 283 HG22 ILE 40 2HG2 ILE 40 1.770 7.471 -3.770 284 HG23 ILE 40 3HG2 ILE 40 0.042 7.130 -3.672 285 HD11 ILE 40 1HD1 ILE 40 1.279 4.162 -1.998 286 HD12 ILE 40 2HD1 ILE 40 1.266 2.614 -2.844 287 HD13 ILE 40 3HD1 ILE 40 2.533 3.792 -3.182 288 H GLN 41 H GLN 41 -1.016 7.860 -6.563 289 HA GLN 41 HA GLN 41 1.110 9.588 -7.530 290 HB2 GLN 41 1HB GLN 41 -0.872 9.472 -8.890 291 HB3 GLN 41 2HB GLN 41 -1.897 9.870 -7.518 292 HG2 GLN 41 1HG GLN 41 -1.818 11.894 -8.541 293 HG3 GLN 41 2HG GLN 41 -0.421 12.047 -7.477 294 HE21 GLN 41 1HE2 GLN 41 0.835 13.375 -8.648 295 HE22 GLN 41 2HE2 GLN 41 1.444 13.014 -10.224 296 H ALA 42 H ALA 42 1.830 11.408 -6.559 297 HA ALA 42 HA ALA 42 0.925 11.884 -3.820 298 HB1 ALA 42 1HB ALA 42 3.409 11.622 -4.680 299 HB2 ALA 42 2HB ALA 42 3.233 13.352 -4.979 300 HB3 ALA 42 3HB ALA 42 3.000 12.710 -3.353 301 H VAL 43 H VAL 43 0.457 14.000 -3.052 302 HA VAL 43 HA VAL 43 -0.040 16.064 -5.062 303 HB VAL 43 HB VAL 43 -2.165 15.018 -3.187 304 HG11 VAL 43 1HG1 VAL 43 -3.594 16.774 -3.955 305 HG12 VAL 43 2HG1 VAL 43 -2.100 17.510 -3.371 306 HG13 VAL 43 3HG1 VAL 43 -2.378 17.334 -5.104 307 HG21 VAL 43 1HG2 VAL 43 -2.012 15.114 -6.198 308 HG22 VAL 43 2HG2 VAL 43 -1.909 13.671 -5.190 309 HG23 VAL 43 3HG2 VAL 43 -3.413 14.589 -5.265 310 H ASP 44 H ASP 44 -0.090 18.167 -4.250 311 HA ASP 44 HA ASP 44 1.324 18.528 -1.770 312 HB2 ASP 44 1HB ASP 44 1.461 19.896 -4.025 313 HB3 ASP 44 2HB ASP 44 0.155 20.821 -3.289 314 H THR 45 H THR 45 0.421 20.712 -0.578 315 HA THR 45 HA THR 45 -1.886 19.799 0.823 316 HB THR 45 HB THR 45 -1.692 21.828 2.151 317 HG1 THR 45 1HG THR 45 -0.908 22.996 0.057 318 HG21 THR 45 1HG2 THR 45 -0.106 20.638 3.184 319 HG22 THR 45 2HG2 THR 45 1.073 21.569 2.261 320 HG23 THR 45 3HG2 THR 45 0.513 20.010 1.658 321 H SER 46 H SER 46 -1.507 21.525 -2.038 322 HA SER 46 HA SER 46 -4.112 22.855 -1.761 323 HB2 SER 46 1HB SER 46 -1.721 23.339 -3.501 324 HB3 SER 46 2HB SER 46 -3.309 23.880 -4.044 325 HG SER 46 HG SER 46 -1.678 24.995 -2.228 326 H GLY 47 H GLY 47 -2.254 20.945 -4.133 327 HA2 GLY 47 1HA GLY 47 -3.663 18.895 -4.816 328 HA3 GLY 47 2HA GLY 47 -4.803 20.121 -5.352 329 H ASN 48 H ASN 48 -1.267 20.105 -5.607 330 HA ASN 48 HA ASN 48 -1.580 20.205 -8.536 331 HB2 ASN 48 1HB ASN 48 0.792 21.341 -8.298 332 HB3 ASN 48 2HB ASN 48 -0.683 22.280 -8.087 333 HD21 ASN 48 1HD2 ASN 48 -1.399 22.715 -5.931 334 HD22 ASN 48 2HD2 ASN 48 -0.254 22.787 -4.638 335 H LYS 49 H LYS 49 -1.166 18.192 -9.230 336 HA LYS 49 HA LYS 49 0.178 16.133 -8.193 337 HB2 LYS 49 1HB LYS 49 0.093 17.101 -11.034 338 HB3 LYS 49 2HB LYS 49 0.986 15.645 -10.616 339 HG2 LYS 49 1HG LYS 49 -0.965 14.532 -9.899 340 HG3 LYS 49 2HG LYS 49 -1.904 16.026 -9.896 341 HD2 LYS 49 1HD LYS 49 -2.114 16.056 -12.190 342 HD3 LYS 49 2HD LYS 49 -0.650 15.102 -12.441 343 HE2 LYS 49 1HE LYS 49 -2.467 13.689 -12.989 344 HE3 LYS 49 2HE LYS 49 -1.887 13.159 -11.411 345 HZ1 LYS 49 1HZ LYS 49 -3.750 13.900 -10.371 346 HZ2 LYS 49 2HZ LYS 49 -4.427 13.544 -11.879 347 HZ3 LYS 49 3HZ LYS 49 -4.037 15.142 -11.484 348 H PHE 50 H PHE 50 2.223 15.478 -7.766 349 HA PHE 50 HA PHE 50 4.279 17.481 -7.696 350 HB2 PHE 50 1HB PHE 50 3.961 14.694 -6.707 351 HB3 PHE 50 2HB PHE 50 5.604 15.278 -6.952 352 HD1 PHE 50 1HD PHE 50 2.401 16.218 -5.308 353 HD2 PHE 50 2HD PHE 50 6.649 16.479 -5.280 354 HE1 PHE 50 1HE PHE 50 2.313 17.360 -3.130 355 HE2 PHE 50 2HE PHE 50 6.568 17.620 -3.102 356 HZ PHE 50 HZ PHE 50 4.398 18.061 -2.024 357 H THR 51 H THR 51 3.895 14.352 -9.346 358 HA THR 51 HA THR 51 5.009 13.417 -11.108 359 HB THR 51 HB THR 51 5.357 14.951 -13.059 360 HG1 THR 51 1HG THR 51 5.764 16.841 -11.687 361 HG21 THR 51 1HG2 THR 51 3.259 13.985 -13.105 362 HG22 THR 51 2HG2 THR 51 2.847 15.699 -13.073 363 HG23 THR 51 3HG2 THR 51 2.761 14.744 -11.593 364 H SER 52 H SER 52 6.652 14.503 -8.868 365 HA SER 52 HA SER 52 9.197 14.664 -10.337 366 HB2 SER 52 1HB SER 52 8.372 16.282 -7.919 367 HB3 SER 52 2HB SER 52 10.032 16.174 -8.506 368 HG SER 52 HG SER 52 8.829 16.819 -10.616 369 H SER 53 H SER 53 11.067 14.339 -8.625 370 HA SER 53 HA SER 53 10.481 11.785 -7.337 371 HB2 SER 53 1HB SER 53 12.973 11.608 -7.156 372 HB3 SER 53 2HB SER 53 12.394 11.779 -8.813 373 HG SER 53 HG SER 53 14.235 13.149 -8.101 374 HA PRO 54 HA PRO 54 10.260 14.147 -3.505 375 HB2 PRO 54 1HB PRO 54 9.223 12.103 -2.050 376 HB3 PRO 54 2HB PRO 54 8.244 13.115 -3.119 377 HG2 PRO 54 1HG PRO 54 9.393 10.395 -3.613 378 HG3 PRO 54 2HG PRO 54 7.780 11.017 -4.009 379 HD2 PRO 54 1HD PRO 54 9.758 10.822 -5.848 380 HD3 PRO 54 2HD PRO 54 8.524 12.097 -5.905 381 H GLY 55 H GLY 55 11.405 10.776 -3.712 382 HA2 GLY 55 1HA GLY 55 13.961 11.269 -2.723 383 HA3 GLY 55 2HA GLY 55 12.951 10.867 -1.342 384 H GLU 56 H GLU 56 14.398 9.031 -1.095 385 HA GLU 56 HA GLU 56 14.311 6.958 -3.108 386 HB2 GLU 56 1HB GLU 56 15.665 5.668 -1.458 387 HB3 GLU 56 2HB GLU 56 16.368 7.218 -1.894 388 HG2 GLU 56 1HG GLU 56 14.644 7.022 0.528 389 HG3 GLU 56 2HG GLU 56 16.308 6.442 0.590 390 H LYS 57 H LYS 57 12.826 7.647 -0.006 391 HA LYS 57 HA LYS 57 10.821 5.614 -0.516 392 HB2 LYS 57 1HB LYS 57 12.521 5.570 1.984 393 HB3 LYS 57 2HB LYS 57 11.071 4.607 1.737 394 HG2 LYS 57 1HG LYS 57 13.458 4.437 -0.078 395 HG3 LYS 57 2HG LYS 57 13.276 3.439 1.366 396 HD2 LYS 57 1HD LYS 57 11.514 2.246 0.482 397 HD3 LYS 57 2HD LYS 57 11.048 3.547 -0.616 398 HE2 LYS 57 1HE LYS 57 11.983 2.075 -2.099 399 HE3 LYS 57 2HE LYS 57 13.397 3.042 -1.684 400 HZ1 LYS 57 1HZ LYS 57 13.121 0.920 0.153 401 HZ2 LYS 57 2HZ LYS 57 14.397 1.243 -0.908 402 HZ3 LYS 57 3HZ LYS 57 13.090 0.299 -1.421 403 H VAL 58 H VAL 58 9.087 6.905 -0.448 404 HA VAL 58 HA VAL 58 8.732 8.598 1.939 405 HB VAL 58 HB VAL 58 7.414 10.160 0.566 406 HG11 VAL 58 1HG1 VAL 58 10.022 9.931 -0.854 407 HG12 VAL 58 2HG1 VAL 58 9.229 11.351 -0.170 408 HG13 VAL 58 3HG1 VAL 58 10.024 10.186 0.890 409 HG21 VAL 58 1HG2 VAL 58 8.447 8.722 -1.862 410 HG22 VAL 58 2HG2 VAL 58 6.863 8.376 -1.168 411 HG23 VAL 58 3HG2 VAL 58 7.227 9.992 -1.773 412 H PHE 59 H PHE 59 7.347 6.354 -0.325 413 HA PHE 59 HA PHE 59 4.896 6.273 1.308 414 HB2 PHE 59 1HB PHE 59 5.249 5.948 -1.666 415 HB3 PHE 59 2HB PHE 59 3.822 5.345 -0.830 416 HD1 PHE 59 1HD PHE 59 2.736 7.167 0.810 417 HD2 PHE 59 2HD PHE 59 5.092 8.015 -2.631 418 HE1 PHE 59 1HE PHE 59 1.704 9.395 0.657 419 HE2 PHE 59 2HE PHE 59 4.065 10.245 -2.789 420 HZ PHE 59 HZ PHE 59 2.369 10.938 -1.144 421 H GLN 60 H GLN 60 4.458 4.395 2.268 422 HA GLN 60 HA GLN 60 5.843 1.981 1.299 423 HB2 GLN 60 1HB GLN 60 6.869 2.603 3.366 424 HB3 GLN 60 2HB GLN 60 5.308 2.876 4.130 425 HG2 GLN 60 1HG GLN 60 4.823 0.481 3.978 426 HG3 GLN 60 2HG GLN 60 6.401 0.217 3.237 427 HE21 GLN 60 1HE2 GLN 60 7.033 -1.161 4.898 428 HE22 GLN 60 2HE2 GLN 60 7.452 -0.575 6.468 429 H VAL 61 H VAL 61 4.742 -0.018 1.555 430 HA VAL 61 HA VAL 61 1.860 0.199 2.105 431 HB VAL 61 HB VAL 61 3.036 -1.373 -0.190 432 HG11 VAL 61 1HG1 VAL 61 0.141 -0.736 0.275 433 HG12 VAL 61 2HG1 VAL 61 0.850 -1.966 -0.774 434 HG13 VAL 61 3HG1 VAL 61 0.898 -2.165 0.978 435 HG21 VAL 61 1HG2 VAL 61 3.238 0.823 -0.911 436 HG22 VAL 61 2HG2 VAL 61 1.647 0.364 -1.517 437 HG23 VAL 61 3HG2 VAL 61 1.786 1.344 -0.057 438 H LYS 62 H LYS 62 0.921 -1.552 3.091 439 HA LYS 62 HA LYS 62 2.585 -3.914 3.587 440 HB2 LYS 62 1HB LYS 62 2.938 -2.603 5.553 441 HB3 LYS 62 2HB LYS 62 1.226 -2.221 5.683 442 HG2 LYS 62 1HG LYS 62 1.694 -3.833 7.342 443 HG3 LYS 62 2HG LYS 62 0.815 -4.671 6.061 444 HD2 LYS 62 1HD LYS 62 3.089 -5.338 5.144 445 HD3 LYS 62 2HD LYS 62 3.759 -4.770 6.675 446 HE2 LYS 62 1HE LYS 62 1.470 -6.672 6.740 447 HE3 LYS 62 2HE LYS 62 3.066 -7.293 6.319 448 HZ1 LYS 62 1HZ LYS 62 2.665 -7.467 8.686 449 HZ2 LYS 62 2HZ LYS 62 2.380 -5.804 8.796 450 HZ3 LYS 62 3HZ LYS 62 3.921 -6.372 8.390 451 H VAL 63 H VAL 63 1.442 -5.826 3.984 452 HA VAL 63 HA VAL 63 -1.467 -5.667 3.531 453 HB VAL 63 HB VAL 63 0.507 -7.633 2.377 454 HG11 VAL 63 1HG1 VAL 63 -1.546 -8.722 1.387 455 HG12 VAL 63 2HG1 VAL 63 -1.290 -8.988 3.112 456 HG13 VAL 63 3HG1 VAL 63 -2.490 -7.816 2.568 457 HG21 VAL 63 1HG2 VAL 63 -0.068 -5.354 1.295 458 HG22 VAL 63 2HG2 VAL 63 -0.092 -6.804 0.292 459 HG23 VAL 63 3HG2 VAL 63 -1.604 -6.119 0.887 460 H SER 64 H SER 64 -2.687 -6.636 5.015 461 HA SER 64 HA SER 64 -1.589 -8.846 6.583 462 HB2 SER 64 1HB SER 64 -1.103 -7.127 8.100 463 HB3 SER 64 2HB SER 64 -2.559 -6.223 7.687 464 HG SER 64 HG SER 64 -2.613 -7.374 9.741 465 H ALA 65 H ALA 65 -3.223 -10.080 7.717 466 HA ALA 65 HA ALA 65 -5.738 -10.103 6.238 467 HB1 ALA 65 1HB ALA 65 -5.684 -12.226 8.082 468 HB2 ALA 65 2HB ALA 65 -5.439 -12.298 6.337 469 HB3 ALA 65 3HB ALA 65 -4.057 -12.097 7.413 470 HA PRO 66 HA PRO 66 -7.619 -7.966 9.698 471 HB2 PRO 66 1HB PRO 66 -10.059 -7.717 8.533 472 HB3 PRO 66 2HB PRO 66 -8.692 -6.669 8.134 473 HG2 PRO 66 1HG PRO 66 -9.733 -9.065 6.670 474 HG3 PRO 66 2HG PRO 66 -9.192 -7.505 6.022 475 HD2 PRO 66 1HD PRO 66 -7.629 -9.716 5.992 476 HD3 PRO 66 2HD PRO 66 -6.964 -8.078 6.158 477 H GLU 67 H GLU 67 -9.387 -10.516 7.931 478 HA GLU 67 HA GLU 67 -11.035 -11.226 10.123 479 HB2 GLU 67 1HB GLU 67 -11.489 -11.704 7.685 480 HB3 GLU 67 2HB GLU 67 -10.294 -12.989 7.789 481 HG2 GLU 67 1HG GLU 67 -12.528 -13.883 8.009 482 HG3 GLU 67 2HG GLU 67 -11.627 -14.095 9.509 483 H GLU 68 H GLU 68 -8.432 -13.139 8.604 484 HA GLU 68 HA GLU 68 -8.114 -14.643 11.076 485 HB2 GLU 68 1HB GLU 68 -6.836 -16.192 9.825 486 HB3 GLU 68 2HB GLU 68 -8.165 -15.715 8.778 487 HG2 GLU 68 1HG GLU 68 -6.734 -14.264 7.520 488 HG3 GLU 68 2HG GLU 68 -5.403 -14.533 8.644 489 H GLN 69 H GLN 69 -5.828 -15.138 11.778 490 HA GLN 69 HA GLN 69 -4.555 -12.889 12.713 491 HB2 GLN 69 1HB GLN 69 -3.734 -15.724 12.338 492 HB3 GLN 69 2HB GLN 69 -2.471 -14.555 12.700 493 HG2 GLN 69 1HG GLN 69 -3.177 -15.506 14.751 494 HG3 GLN 69 2HG GLN 69 -3.795 -13.856 14.693 495 HE21 GLN 69 1HE2 GLN 69 -4.622 -17.237 14.468 496 HE22 GLN 69 2HE2 GLN 69 -6.319 -17.042 14.729 497 H PHE 70 H PHE 70 -2.208 -12.283 12.228 498 HA PHE 70 HA PHE 70 -1.986 -10.949 9.873 499 HB2 PHE 70 1HB PHE 70 0.277 -10.605 10.358 500 HB3 PHE 70 2HB PHE 70 -0.424 -10.949 11.936 501 HD1 PHE 70 1HD PHE 70 -0.308 -13.405 12.735 502 HD2 PHE 70 2HD PHE 70 2.120 -11.793 9.633 503 HE1 PHE 70 1HE PHE 70 1.310 -15.230 13.058 504 HE2 PHE 70 2HE PHE 70 3.742 -13.616 9.950 505 HZ PHE 70 HZ PHE 70 3.338 -15.338 11.664 506 H THR 71 H THR 71 -0.480 -11.312 8.026 507 HA THR 71 HA THR 71 -0.387 -14.142 7.219 508 HB THR 71 HB THR 71 -2.270 -13.130 6.058 509 HG1 THR 71 1HG THR 71 -0.194 -13.258 4.137 510 HG21 THR 71 1HG2 THR 71 -0.617 -11.275 4.472 511 HG22 THR 71 2HG2 THR 71 -0.901 -10.798 6.146 512 HG23 THR 71 3HG2 THR 71 -2.266 -11.097 5.070 513 H ARG 72 H ARG 72 1.181 -14.607 5.519 514 HA ARG 72 HA ARG 72 3.590 -13.008 5.883 515 HB2 ARG 72 1HB ARG 72 3.959 -15.328 6.199 516 HB3 ARG 72 2HB ARG 72 3.071 -15.745 4.740 517 HG2 ARG 72 1HG ARG 72 5.330 -16.056 4.207 518 HG3 ARG 72 2HG ARG 72 4.884 -14.521 3.458 519 HD2 ARG 72 1HD ARG 72 7.057 -14.372 4.561 520 HD3 ARG 72 2HD ARG 72 5.876 -13.311 5.328 521 HE ARG 72 HE ARG 72 5.882 -15.760 6.683 522 HH11 ARG 72 1HH1 ARG 72 7.959 -13.019 6.138 523 HH12 ARG 72 2HH1 ARG 72 8.789 -13.182 7.650 524 HH21 ARG 72 1HH2 ARG 72 6.967 -15.985 8.676 525 HH22 ARG 72 2HH2 ARG 72 8.224 -14.870 9.093 526 H VAL 73 H VAL 73 3.638 -11.286 4.560 527 HA VAL 73 HA VAL 73 3.444 -11.801 1.675 528 HB VAL 73 HB VAL 73 2.199 -9.437 3.086 529 HG11 VAL 73 1HG1 VAL 73 2.126 -10.080 0.146 530 HG12 VAL 73 2HG1 VAL 73 1.551 -8.618 0.950 531 HG13 VAL 73 3HG1 VAL 73 3.280 -8.959 0.867 532 HG21 VAL 73 1HG2 VAL 73 0.700 -11.362 1.370 533 HG22 VAL 73 2HG2 VAL 73 1.071 -11.801 3.037 534 HG23 VAL 73 3HG2 VAL 73 0.124 -10.353 2.697 535 H GLY 74 H GLY 74 5.065 -10.944 0.516 536 HA2 GLY 74 1HA GLY 74 6.962 -9.205 1.945 537 HA3 GLY 74 2HA GLY 74 7.355 -10.226 0.570 538 H VAL 75 H VAL 75 5.640 -7.301 1.550 539 HA VAL 75 HA VAL 75 5.136 -6.412 -1.118 540 HB VAL 75 HB VAL 75 5.064 -4.968 1.530 541 HG11 VAL 75 1HG1 VAL 75 3.702 -3.287 0.070 542 HG12 VAL 75 2HG1 VAL 75 5.464 -3.192 0.114 543 HG13 VAL 75 3HG1 VAL 75 4.655 -3.961 -1.251 544 HG21 VAL 75 1HG2 VAL 75 3.362 -6.762 0.990 545 HG22 VAL 75 2HG2 VAL 75 2.712 -5.173 1.393 546 HG23 VAL 75 3HG2 VAL 75 2.782 -5.697 -0.290 547 H GLN 76 H GLN 76 6.132 -4.702 -2.239 548 HA GLN 76 HA GLN 76 8.685 -3.715 -1.230 549 HB2 GLN 76 1HB GLN 76 9.163 -5.791 -2.525 550 HB3 GLN 76 2HB GLN 76 8.438 -5.035 -3.937 551 HG2 GLN 76 1HG GLN 76 10.812 -4.851 -4.101 552 HG3 GLN 76 2HG GLN 76 10.143 -3.248 -3.801 553 HE21 GLN 76 1HE2 GLN 76 11.928 -2.355 -2.886 554 HE22 GLN 76 2HE2 GLN 76 12.589 -2.865 -1.373 555 H VAL 77 H VAL 77 9.187 -1.688 -1.919 556 HA VAL 77 HA VAL 77 7.346 -0.455 -3.865 557 HB VAL 77 HB VAL 77 8.597 0.801 -1.419 558 HG11 VAL 77 1HG1 VAL 77 8.516 2.706 -2.583 559 HG12 VAL 77 2HG1 VAL 77 7.560 1.976 -3.875 560 HG13 VAL 77 3HG1 VAL 77 6.763 2.588 -2.424 561 HG21 VAL 77 1HG2 VAL 77 6.467 -0.734 -1.355 562 HG22 VAL 77 2HG2 VAL 77 6.527 0.765 -0.427 563 HG23 VAL 77 3HG2 VAL 77 5.669 0.715 -1.967 564 H LEU 78 H LEU 78 8.497 -0.338 -5.703 565 HA LEU 78 HA LEU 78 11.245 0.707 -5.558 566 HB2 LEU 78 1HB LEU 78 10.664 -1.585 -6.623 567 HB3 LEU 78 2HB LEU 78 10.074 -0.618 -7.973 568 HG LEU 78 HG LEU 78 12.272 -1.313 -8.521 569 HD11 LEU 78 1HD1 LEU 78 13.206 0.702 -9.087 570 HD12 LEU 78 2HD1 LEU 78 12.845 1.435 -7.525 571 HD13 LEU 78 3HD1 LEU 78 11.558 1.202 -8.708 572 HD21 LEU 78 1HD2 LEU 78 14.181 -1.059 -7.112 573 HD22 LEU 78 2HD2 LEU 78 12.925 -1.866 -6.173 574 HD23 LEU 78 3HD2 LEU 78 13.251 -0.151 -5.919 575 H ASP 79 H ASP 79 11.711 2.620 -6.445 576 HA ASP 79 HA ASP 79 9.589 4.246 -7.489 577 HB2 ASP 79 1HB ASP 79 11.289 5.251 -6.070 578 HB3 ASP 79 2HB ASP 79 12.553 4.780 -7.203 579 H ARG 80 H ARG 80 8.902 4.085 -9.512 580 HA ARG 80 HA ARG 80 10.818 3.333 -11.610 581 HB2 ARG 80 1HB ARG 80 7.818 3.115 -11.429 582 HB3 ARG 80 2HB ARG 80 8.680 2.922 -12.950 583 HG2 ARG 80 1HG ARG 80 10.072 1.182 -11.534 584 HG3 ARG 80 2HG ARG 80 8.589 1.143 -10.578 585 HD2 ARG 80 1HD ARG 80 8.936 0.504 -13.497 586 HD3 ARG 80 2HD ARG 80 8.399 -0.571 -12.206 587 HE ARG 80 HE ARG 80 6.599 1.550 -12.344 588 HH11 ARG 80 1HH1 ARG 80 7.659 -1.119 -14.313 589 HH12 ARG 80 2HH1 ARG 80 6.141 -1.289 -15.130 590 HH21 ARG 80 1HH2 ARG 80 4.595 1.337 -13.414 591 HH22 ARG 80 2HH2 ARG 80 4.399 0.109 -14.619 592 H LYS 81 H LYS 81 7.921 5.393 -11.276 593 HA LYS 81 HA LYS 81 8.972 7.164 -13.346 594 HB2 LYS 81 1HB LYS 81 6.298 6.680 -12.129 595 HB3 LYS 81 2HB LYS 81 6.624 8.287 -12.764 596 HG2 LYS 81 1HG LYS 81 7.385 7.027 -14.892 597 HG3 LYS 81 2HG LYS 81 6.468 5.680 -14.213 598 HD2 LYS 81 1HD LYS 81 4.585 7.461 -13.941 599 HD3 LYS 81 2HD LYS 81 5.505 8.351 -15.157 600 HE2 LYS 81 1HE LYS 81 5.186 6.703 -16.774 601 HE3 LYS 81 2HE LYS 81 4.774 5.475 -15.578 602 HZ1 LYS 81 1HZ LYS 81 2.969 7.689 -15.522 603 HZ2 LYS 81 2HZ LYS 81 2.640 6.036 -15.669 604 HZ3 LYS 81 3HZ LYS 81 3.009 6.951 -17.044 605 H ASP 82 H ASP 82 8.264 9.594 -12.849 606 HA ASP 82 HA ASP 82 9.968 10.458 -10.748 607 HB2 ASP 82 1HB ASP 82 7.935 12.181 -12.158 608 HB3 ASP 82 2HB ASP 82 9.473 12.669 -11.452 609 H GLY 83 H GLY 83 6.513 11.233 -11.203 610 HA2 GLY 83 1HA GLY 83 6.265 11.440 -8.283 611 HA3 GLY 83 2HA GLY 83 5.155 12.128 -9.459 612 H SER 84 H SER 84 6.253 8.879 -9.902 613 HA SER 84 HA SER 84 3.799 7.807 -8.711 614 HB2 SER 84 1HB SER 84 4.618 7.648 -11.587 615 HB3 SER 84 2HB SER 84 3.748 6.294 -10.867 616 HG SER 84 HG SER 84 2.015 7.572 -10.523 617 H PHE 85 H PHE 85 3.974 5.758 -7.893 618 HA PHE 85 HA PHE 85 6.586 4.432 -8.191 619 HB2 PHE 85 1HB PHE 85 4.974 4.931 -5.698 620 HB3 PHE 85 2HB PHE 85 6.159 3.631 -5.779 621 HD1 PHE 85 2HD PHE 85 5.898 7.277 -6.531 622 HD2 PHE 85 1HD PHE 85 8.286 4.078 -5.053 623 HE1 PHE 85 2HE PHE 85 7.681 8.874 -5.965 624 HE2 PHE 85 1HE PHE 85 10.073 5.671 -4.483 625 HZ PHE 85 HZ PHE 85 9.772 8.073 -4.941 626 H ILE 86 H ILE 86 6.506 2.089 -7.565 627 HA ILE 86 HA ILE 86 3.904 0.900 -8.274 628 HB ILE 86 HB ILE 86 5.623 0.786 -10.119 629 HG12 ILE 86 1HG1 ILE 86 4.707 -1.871 -8.999 630 HG13 ILE 86 2HG1 ILE 86 3.690 -0.767 -9.919 631 HG21 ILE 86 1HG2 ILE 86 7.486 0.330 -8.404 632 HG22 ILE 86 2HG2 ILE 86 6.950 -1.347 -8.489 633 HG23 ILE 86 3HG2 ILE 86 7.532 -0.534 -9.941 634 HD11 ILE 86 1HD1 ILE 86 6.243 -1.870 -11.033 635 HD12 ILE 86 2HD1 ILE 86 4.707 -2.728 -11.162 636 HD13 ILE 86 3HD1 ILE 86 4.891 -1.133 -11.892 637 H VAL 87 H VAL 87 3.150 -0.557 -6.881 638 HA VAL 87 HA VAL 87 4.971 -1.555 -4.797 639 HB VAL 87 HB VAL 87 1.954 -1.399 -4.752 640 HG11 VAL 87 1HG1 VAL 87 3.439 -1.719 -2.244 641 HG12 VAL 87 2HG1 VAL 87 1.954 -2.499 -2.794 642 HG13 VAL 87 3HG1 VAL 87 3.522 -3.105 -3.330 643 HG21 VAL 87 1HG2 VAL 87 2.075 0.602 -3.710 644 HG22 VAL 87 2HG2 VAL 87 3.586 0.207 -2.891 645 HG23 VAL 87 3HG2 VAL 87 3.606 0.717 -4.579 646 H ARG 88 H ARG 88 5.523 -3.627 -4.818 647 HA ARG 88 HA ARG 88 3.720 -5.562 -6.105 648 HB2 ARG 88 1HB ARG 88 6.721 -5.382 -6.409 649 HB3 ARG 88 2HB ARG 88 5.761 -6.760 -6.930 650 HG2 ARG 88 1HG ARG 88 4.849 -5.636 -8.698 651 HG3 ARG 88 2HG ARG 88 5.019 -4.059 -7.924 652 HD2 ARG 88 1HD ARG 88 6.683 -3.893 -9.472 653 HD3 ARG 88 2HD ARG 88 7.591 -4.631 -8.153 654 HE ARG 88 HE ARG 88 7.945 -6.408 -9.524 655 HH11 ARG 88 1HH1 ARG 88 4.997 -4.843 -10.513 656 HH12 ARG 88 2HH1 ARG 88 4.725 -5.910 -11.850 657 HH21 ARG 88 1HH2 ARG 88 7.598 -7.820 -11.282 658 HH22 ARG 88 2HH2 ARG 88 6.205 -7.604 -12.286 659 H TYR 89 H TYR 89 3.355 -7.384 -4.981 660 HA TYR 89 HA TYR 89 5.154 -8.079 -2.773 661 HB2 TYR 89 1HB TYR 89 3.416 -8.256 -1.180 662 HB3 TYR 89 2HB TYR 89 3.152 -6.710 -1.979 663 HD1 TYR 89 2HD TYR 89 2.001 -10.233 -1.868 664 HD2 TYR 89 1HD TYR 89 1.124 -6.253 -3.090 665 HE1 TYR 89 2HE TYR 89 -0.301 -10.912 -2.407 666 HE2 TYR 89 1HE TYR 89 -1.180 -6.920 -3.632 667 HH TYR 89 HH TYR 89 -2.158 -10.188 -3.790 668 H ARG 90 H ARG 90 5.069 -10.276 -2.125 669 HA ARG 90 HA ARG 90 4.019 -12.042 -4.222 670 HB2 ARG 90 1HB ARG 90 6.108 -12.589 -2.104 671 HB3 ARG 90 2HB ARG 90 5.621 -13.699 -3.377 672 HG2 ARG 90 1HG ARG 90 6.518 -12.254 -5.065 673 HG3 ARG 90 2HG ARG 90 6.852 -10.999 -3.870 674 HD2 ARG 90 1HD ARG 90 8.275 -12.864 -2.729 675 HD3 ARG 90 2HD ARG 90 8.241 -13.604 -4.328 676 HE ARG 90 HE ARG 90 9.759 -11.323 -3.523 677 HH11 ARG 90 1HH1 ARG 90 8.151 -12.827 -6.220 678 HH12 ARG 90 2HH1 ARG 90 9.147 -12.058 -7.411 679 HH21 ARG 90 1HH2 ARG 90 11.077 -10.304 -5.082 680 HH22 ARG 90 2HH2 ARG 90 10.812 -10.624 -6.762 681 H MET 91 H MET 91 3.058 -14.081 -3.607 682 HA MET 91 HA MET 91 1.941 -14.141 -0.893 683 HB2 MET 91 1HB MET 91 0.253 -13.157 -2.389 684 HB3 MET 91 2HB MET 91 0.354 -14.570 -3.431 685 HG2 MET 91 1HG MET 91 -0.551 -15.975 -1.721 686 HG3 MET 91 2HG MET 91 -0.481 -14.665 -0.544 687 HE1 MET 91 1HE MET 91 -3.391 -14.771 0.033 688 HE2 MET 91 2HE MET 91 -2.175 -13.499 0.146 689 HE3 MET 91 3HE MET 91 -3.735 -13.164 -0.607 690 H TYR 92 H TYR 92 2.175 -16.060 0.048 691 HA TYR 92 HA TYR 92 2.540 -18.426 -1.670 692 HB2 TYR 92 1HB TYR 92 3.992 -17.749 0.895 693 HB3 TYR 92 2HB TYR 92 4.103 -19.299 0.067 694 HD1 TYR 92 1HD TYR 92 4.645 -15.652 -0.498 695 HD2 TYR 92 2HD TYR 92 5.755 -19.626 -1.534 696 HE1 TYR 92 1HE TYR 92 6.478 -14.772 -1.882 697 HE2 TYR 92 2HE TYR 92 7.592 -18.758 -2.920 698 HH TYR 92 HH TYR 92 9.013 -16.428 -2.844 699 H ALA 93 H ALA 93 0.121 -17.385 -0.389 700 HA ALA 93 HA ALA 93 -0.658 -19.833 0.970 701 HB1 ALA 93 1HB ALA 93 0.087 -17.672 2.510 702 HB2 ALA 93 2HB ALA 93 -1.671 -17.543 2.444 703 HB3 ALA 93 3HB ALA 93 -0.918 -19.025 3.031 704 H SER 94 H SER 94 -3.124 -19.476 1.680 705 HA SER 94 HA SER 94 -4.539 -19.098 -0.756 706 HB2 SER 94 1HB SER 94 -5.649 -19.382 2.047 707 HB3 SER 94 2HB SER 94 -6.538 -19.621 0.543 708 HG SER 94 HG SER 94 -4.493 -21.204 1.666 709 H TYR 95 H TYR 95 -6.401 -17.649 -1.024 710 HA TYR 95 HA TYR 95 -5.796 -14.994 0.077 711 HB2 TYR 95 1HB TYR 95 -5.802 -15.418 -2.444 712 HB3 TYR 95 2HB TYR 95 -7.550 -15.569 -2.307 713 HD1 TYR 95 2HD TYR 95 -8.688 -13.543 -0.981 714 HD2 TYR 95 1HD TYR 95 -4.951 -13.352 -3.007 715 HE1 TYR 95 2HE TYR 95 -8.915 -11.101 -1.158 716 HE2 TYR 95 1HE TYR 95 -5.167 -10.909 -3.188 717 HH TYR 95 HH TYR 95 -8.080 -9.235 -2.071 718 H LYS 96 H LYS 96 -6.916 -15.200 2.028 719 HA LYS 96 HA LYS 96 -9.796 -15.698 1.891 720 HB2 LYS 96 1HB LYS 96 -7.772 -15.680 4.097 721 HB3 LYS 96 2HB LYS 96 -9.470 -15.437 4.485 722 HG2 LYS 96 1HG LYS 96 -10.067 -17.569 3.741 723 HG3 LYS 96 2HG LYS 96 -8.559 -17.775 2.846 724 HD2 LYS 96 1HD LYS 96 -8.231 -19.094 4.731 725 HD3 LYS 96 2HD LYS 96 -7.431 -17.581 5.165 726 HE2 LYS 96 1HE LYS 96 -8.718 -18.251 7.046 727 HE3 LYS 96 2HE LYS 96 -9.565 -16.897 6.299 728 HZ1 LYS 96 1HZ LYS 96 -11.147 -18.351 5.353 729 HZ2 LYS 96 2HZ LYS 96 -10.991 -18.821 6.970 730 HZ3 LYS 96 3HZ LYS 96 -10.249 -19.728 5.751 731 H ASN 97 H ASN 97 -7.617 -13.343 3.458 732 HA ASN 97 HA ASN 97 -9.487 -11.212 2.751 733 HB2 ASN 97 1HB ASN 97 -8.416 -11.498 5.562 734 HB3 ASN 97 2HB ASN 97 -9.591 -10.323 4.979 735 HD21 ASN 97 1HD2 ASN 97 -9.047 -13.719 5.653 736 HD22 ASN 97 2HD2 ASN 97 -10.710 -14.139 5.856 737 H LEU 98 H LEU 98 -8.394 -9.619 1.826 738 HA LEU 98 HA LEU 98 -5.564 -9.247 2.557 739 HB2 LEU 98 1HB LEU 98 -6.983 -9.247 -0.028 740 HB3 LEU 98 2HB LEU 98 -5.756 -7.998 0.176 741 HG LEU 98 HG LEU 98 -5.062 -10.179 -0.956 742 HD11 LEU 98 1HD1 LEU 98 -2.900 -10.221 0.465 743 HD12 LEU 98 2HD1 LEU 98 -3.635 -8.865 1.321 744 HD13 LEU 98 3HD1 LEU 98 -3.325 -8.750 -0.412 745 HD21 LEU 98 1HD2 LEU 98 -5.612 -11.103 1.820 746 HD22 LEU 98 2HD2 LEU 98 -4.243 -11.798 0.953 747 HD23 LEU 98 3HD2 LEU 98 -5.869 -11.927 0.282 748 H LYS 99 H LYS 99 -5.198 -7.475 3.697 749 HA LYS 99 HA LYS 99 -6.983 -5.161 3.326 750 HB2 LYS 99 1HB LYS 99 -7.109 -6.040 5.576 751 HB3 LYS 99 2HB LYS 99 -5.357 -6.012 5.728 752 HG2 LYS 99 1HG LYS 99 -5.708 -3.443 5.232 753 HG3 LYS 99 2HG LYS 99 -7.315 -3.787 5.878 754 HD2 LYS 99 1HD LYS 99 -4.692 -4.360 7.257 755 HD3 LYS 99 2HD LYS 99 -5.790 -3.031 7.635 756 HE2 LYS 99 1HE LYS 99 -6.875 -5.799 7.655 757 HE3 LYS 99 2HE LYS 99 -5.827 -5.310 8.986 758 HZ1 LYS 99 1HZ LYS 99 -7.657 -4.447 9.877 759 HZ2 LYS 99 2HZ LYS 99 -8.539 -4.571 8.439 760 HZ3 LYS 99 3HZ LYS 99 -7.553 -3.224 8.713 761 H VAL 100 H VAL 100 -6.102 -3.602 2.148 762 HA VAL 100 HA VAL 100 -3.233 -3.382 1.856 763 HB VAL 100 HB VAL 100 -5.353 -1.562 0.714 764 HG11 VAL 100 1HG1 VAL 100 -3.569 -0.394 0.063 765 HG12 VAL 100 2HG1 VAL 100 -2.457 -1.672 0.558 766 HG13 VAL 100 3HG1 VAL 100 -3.216 -1.729 -1.033 767 HG21 VAL 100 1HG2 VAL 100 -4.667 -3.092 -1.370 768 HG22 VAL 100 2HG2 VAL 100 -4.464 -4.272 -0.075 769 HG23 VAL 100 3HG2 VAL 100 -6.020 -3.475 -0.305 770 H GLU 101 H GLU 101 -1.928 -1.820 2.673 771 HA GLU 101 HA GLU 101 -3.151 0.353 4.220 772 HB2 GLU 101 1HB GLU 101 -1.163 -1.675 5.191 773 HB3 GLU 101 2HB GLU 101 -1.194 -0.060 5.886 774 HG2 GLU 101 1HG GLU 101 -3.548 -0.380 6.493 775 HG3 GLU 101 2HG GLU 101 -3.484 -2.013 5.831 776 H ILE 102 H ILE 102 -2.235 2.280 3.874 777 HA ILE 102 HA ILE 102 0.505 2.402 2.842 778 HB ILE 102 HB ILE 102 -1.688 4.053 1.605 779 HG12 ILE 102 1HG1 ILE 102 -1.104 2.352 -0.371 780 HG13 ILE 102 2HG1 ILE 102 -0.792 1.280 0.991 781 HG21 ILE 102 1HG2 ILE 102 1.061 3.369 0.582 782 HG22 ILE 102 2HG2 ILE 102 -0.070 4.545 -0.085 783 HG23 ILE 102 3HG2 ILE 102 0.679 4.835 1.485 784 HD11 ILE 102 1HD1 ILE 102 -3.190 1.568 -0.181 785 HD12 ILE 102 2HD1 ILE 102 -2.970 1.092 1.503 786 HD13 ILE 102 3HD1 ILE 102 -3.323 2.772 1.100 787 H LYS 103 H LYS 103 1.494 3.500 4.416 788 HA LYS 103 HA LYS 103 0.258 6.016 5.326 789 HB2 LYS 103 1HB LYS 103 2.011 4.143 6.926 790 HB3 LYS 103 2HB LYS 103 1.379 5.683 7.493 791 HG2 LYS 103 1HG LYS 103 -0.732 4.873 7.778 792 HG3 LYS 103 2HG LYS 103 -0.556 3.656 6.511 793 HD2 LYS 103 1HD LYS 103 1.093 3.431 8.988 794 HD3 LYS 103 2HD LYS 103 -0.607 2.958 9.039 795 HE2 LYS 103 1HE LYS 103 -0.296 1.184 7.628 796 HE3 LYS 103 2HE LYS 103 1.070 1.937 6.806 797 HZ1 LYS 103 1HZ LYS 103 1.683 1.444 9.531 798 HZ2 LYS 103 2HZ LYS 103 2.475 0.892 8.142 799 HZ3 LYS 103 3HZ LYS 103 1.175 0.016 8.778 800 H PHE 104 H PHE 104 1.963 7.531 6.288 801 HA PHE 104 HA PHE 104 4.575 7.310 5.019 802 HB2 PHE 104 1HB PHE 104 3.529 8.468 3.268 803 HB3 PHE 104 2HB PHE 104 2.543 9.427 4.368 804 HD1 PHE 104 1HD PHE 104 6.215 8.811 4.268 805 HD2 PHE 104 2HD PHE 104 3.049 11.642 3.993 806 HE1 PHE 104 1HE PHE 104 7.861 10.635 4.145 807 HE2 PHE 104 2HE PHE 104 4.690 13.471 3.869 808 HZ PHE 104 HZ PHE 104 7.100 12.969 3.943 809 H GLN 105 H GLN 105 6.056 7.827 6.476 810 HA GLN 105 HA GLN 105 6.973 8.553 8.442 811 HB2 GLN 105 1HB GLN 105 6.963 10.979 8.710 812 HB3 GLN 105 2HB GLN 105 7.189 10.542 7.022 813 HG2 GLN 105 1HG GLN 105 4.952 11.125 6.484 814 HG3 GLN 105 2HG GLN 105 4.526 11.303 8.185 815 HE21 GLN 105 1HE2 GLN 105 3.786 13.386 7.033 816 HE22 GLN 105 2HE2 GLN 105 4.899 14.706 7.108 817 H GLY 106 H GLY 106 4.215 7.451 8.588 818 HA2 GLY 106 1HA GLY 106 3.005 6.943 10.541 819 HA3 GLY 106 2HA GLY 106 3.645 8.397 11.290 820 H GLN 107 H GLN 107 2.161 8.334 8.114 821 HA GLN 107 HA GLN 107 -0.321 9.442 9.173 822 HB2 GLN 107 1HB GLN 107 1.512 10.896 7.268 823 HB3 GLN 107 2HB GLN 107 -0.184 11.313 7.471 824 HG2 GLN 107 1HG GLN 107 0.128 12.128 9.600 825 HG3 GLN 107 2HG GLN 107 1.597 11.187 9.858 826 HE21 GLN 107 1HE2 GLN 107 3.410 12.291 9.809 827 HE22 GLN 107 2HE2 GLN 107 3.674 13.787 8.986 828 H HIS 108 H HIS 108 -2.011 8.614 8.137 829 HA HIS 108 HA HIS 108 -1.683 6.827 5.958 830 HB2 HIS 108 1HB HIS 108 -3.982 7.887 7.526 831 HB3 HIS 108 2HB HIS 108 -4.329 7.169 5.956 832 HD1 HIS 108 1HD HIS 108 -3.284 4.636 5.682 833 HD2 HIS 108 2HD HIS 108 -3.836 6.082 9.537 834 HE1 HIS 108 1HE HIS 108 -3.276 2.607 7.169 835 HE2 HIS 108 2HE HIS 108 -3.697 3.500 9.486 836 H VAL 109 H VAL 109 -2.121 7.053 3.805 837 HA VAL 109 HA VAL 109 -2.332 9.803 2.830 838 HB VAL 109 HB VAL 109 -1.685 7.278 1.302 839 HG11 VAL 109 1HG1 VAL 109 -1.004 9.997 0.319 840 HG12 VAL 109 2HG1 VAL 109 -1.398 8.532 -0.582 841 HG13 VAL 109 3HG1 VAL 109 -2.680 9.465 0.190 842 HG21 VAL 109 1HG2 VAL 109 -0.035 8.023 3.083 843 HG22 VAL 109 2HG2 VAL 109 0.597 7.855 1.445 844 HG23 VAL 109 3HG2 VAL 109 0.233 9.456 2.089 845 H ALA 110 H ALA 110 -4.005 6.723 2.749 846 HA ALA 110 HA ALA 110 -6.242 8.045 1.357 847 HB1 ALA 110 1HB ALA 110 -4.799 5.987 0.316 848 HB2 ALA 110 2HB ALA 110 -6.121 5.127 1.108 849 HB3 ALA 110 3HB ALA 110 -6.471 6.359 -0.105 850 H LYS 111 H LYS 111 -8.220 6.273 1.643 851 HA LYS 111 HA LYS 111 -9.111 6.644 4.265 852 HB2 LYS 111 1HB LYS 111 -10.877 6.301 2.851 853 HB3 LYS 111 2HB LYS 111 -10.030 5.077 1.915 854 HG2 LYS 111 1HG LYS 111 -11.835 4.020 3.046 855 HG3 LYS 111 2HG LYS 111 -10.336 3.505 3.824 856 HD2 LYS 111 1HD LYS 111 -11.725 3.985 5.625 857 HD3 LYS 111 2HD LYS 111 -10.777 5.464 5.450 858 HE2 LYS 111 1HE LYS 111 -12.982 6.205 5.723 859 HE3 LYS 111 2HE LYS 111 -12.691 6.308 3.987 860 HZ1 LYS 111 1HZ LYS 111 -13.672 3.851 4.160 861 HZ2 LYS 111 2HZ LYS 111 -14.643 5.214 3.915 862 HZ3 LYS 111 3HZ LYS 111 -14.480 4.559 5.467 863 H SER 112 H SER 112 -6.828 4.484 3.123 864 HA SER 112 HA SER 112 -7.119 2.077 4.265 865 HB2 SER 112 1HB SER 112 -4.549 3.444 4.920 866 HB3 SER 112 2HB SER 112 -4.828 1.851 4.217 867 HG SER 112 HG SER 112 -4.964 2.714 2.264 868 HA PRO 113 HA PRO 113 -5.684 0.617 5.502 869 HB2 PRO 113 1HB PRO 113 -6.798 -1.277 7.096 870 HB3 PRO 113 2HB PRO 113 -5.283 -0.457 7.493 871 HG2 PRO 113 1HG PRO 113 -8.051 0.088 8.495 872 HG3 PRO 113 2HG PRO 113 -6.524 0.041 9.395 873 HD2 PRO 113 1HD PRO 113 -7.689 2.360 8.623 874 HD3 PRO 113 2HD PRO 113 -5.928 2.169 8.743 875 H TYR 114 H TYR 114 -6.643 -0.757 4.030 876 HA TYR 114 HA TYR 114 -9.513 -0.336 3.608 877 HB2 TYR 114 1HB TYR 114 -7.232 -1.081 1.811 878 HB3 TYR 114 2HB TYR 114 -8.880 -1.487 1.343 879 HD1 TYR 114 1HD TYR 114 -10.590 0.451 1.313 880 HD2 TYR 114 2HD TYR 114 -6.376 1.034 1.344 881 HE1 TYR 114 1HE TYR 114 -10.904 2.725 0.432 882 HE2 TYR 114 2HE TYR 114 -6.678 3.310 0.464 883 HH TYR 114 HH TYR 114 -8.146 4.900 -0.065 884 H ILE 115 H ILE 115 -10.967 -1.981 3.565 885 HA ILE 115 HA ILE 115 -9.950 -4.649 4.289 886 HB ILE 115 HB ILE 115 -12.767 -3.747 4.799 887 HG12 ILE 115 1HG1 ILE 115 -11.415 -2.069 5.885 888 HG13 ILE 115 2HG1 ILE 115 -12.029 -3.167 7.116 889 HG21 ILE 115 1HG2 ILE 115 -11.106 -5.670 6.393 890 HG22 ILE 115 2HG2 ILE 115 -12.862 -5.529 6.309 891 HG23 ILE 115 3HG2 ILE 115 -11.962 -6.173 4.935 892 HD11 ILE 115 1HD1 ILE 115 -9.544 -4.186 6.273 893 HD12 ILE 115 2HD1 ILE 115 -9.341 -2.453 6.530 894 HD13 ILE 115 3HD1 ILE 115 -9.964 -3.470 7.828 895 H LEU 116 H LEU 116 -9.909 -5.885 2.521 896 HA LEU 116 HA LEU 116 -12.316 -5.940 0.825 897 HB2 LEU 116 1HB LEU 116 -9.496 -6.388 -0.132 898 HB3 LEU 116 2HB LEU 116 -10.957 -6.324 -1.117 899 HG LEU 116 HG LEU 116 -11.093 -3.876 -0.124 900 HD11 LEU 116 1HD1 LEU 116 -8.339 -4.772 0.443 901 HD12 LEU 116 2HD1 LEU 116 -9.321 -3.540 1.234 902 HD13 LEU 116 3HD1 LEU 116 -8.511 -3.176 -0.289 903 HD21 LEU 116 1HD2 LEU 116 -9.866 -5.064 -2.493 904 HD22 LEU 116 2HD2 LEU 116 -9.270 -3.445 -2.123 905 HD23 LEU 116 3HD2 LEU 116 -10.998 -3.718 -2.353 906 H LYS 117 H LYS 117 -13.291 -7.761 1.507 907 HA LYS 117 HA LYS 117 -11.711 -10.246 1.416 908 HB2 LYS 117 1HB LYS 117 -13.222 -11.130 3.195 909 HB3 LYS 117 2HB LYS 117 -12.195 -9.806 3.728 910 HG2 LYS 117 1HG LYS 117 -14.254 -8.330 3.134 911 HG3 LYS 117 2HG LYS 117 -15.141 -9.850 3.266 912 HD2 LYS 117 1HD LYS 117 -14.105 -10.148 5.532 913 HD3 LYS 117 2HD LYS 117 -13.470 -8.507 5.386 914 HE2 LYS 117 1HE LYS 117 -15.486 -8.357 6.629 915 HE3 LYS 117 2HE LYS 117 -15.834 -7.738 5.015 916 HZ1 LYS 117 1HZ LYS 117 -17.558 -9.249 5.900 917 HZ2 LYS 117 2HZ LYS 117 -16.429 -10.508 5.900 918 HZ3 LYS 117 3HZ LYS 117 -16.891 -9.786 4.441 919 H GLY 118 H GLY 118 -15.031 -8.949 1.296 920 HA2 GLY 118 1HA GLY 118 -15.646 -10.169 -1.168 921 HA3 GLY 118 2HA GLY 118 -16.234 -11.195 0.132 922 H SER 119 H SER 119 -17.238 -9.001 -1.993 923 HA SER 119 HA SER 119 -18.609 -7.003 -0.723 924 HB2 SER 119 1HB SER 119 -18.620 -7.116 -3.121 925 HB3 SER 119 2HB SER 119 -19.453 -8.670 -3.100 926 HG SER 119 HG SER 119 -21.271 -7.641 -2.967 927 H GLY 120 H GLY 120 -20.640 -6.757 0.216 928 HA2 GLY 120 1HA GLY 120 -22.427 -8.976 0.562 929 HA3 GLY 120 2HA GLY 120 -21.510 -8.623 2.019 930 HA PRO 121 HA PRO 121 -24.419 -4.855 0.987 931 HB2 PRO 121 1HB PRO 121 -26.614 -5.530 -0.462 932 HB3 PRO 121 2HB PRO 121 -25.115 -4.954 -1.201 933 HG2 PRO 121 1HG PRO 121 -26.119 -7.757 -0.892 934 HG3 PRO 121 2HG PRO 121 -25.348 -6.993 -2.294 935 HD2 PRO 121 1HD PRO 121 -24.000 -8.613 -0.594 936 HD3 PRO 121 2HD PRO 121 -23.228 -7.248 -1.426 937 H SER 122 H SER 122 -24.981 -4.924 3.124 938 HA SER 122 HA SER 122 -26.440 -6.867 4.447 939 HB2 SER 122 1HB SER 122 -26.833 -5.218 6.179 940 HB3 SER 122 2HB SER 122 -25.207 -4.988 5.536 941 HG SER 122 HG SER 122 -27.527 -3.474 4.922 942 H SER 123 H SER 123 -27.607 -3.987 2.748 943 HA SER 123 HA SER 123 -30.366 -4.934 3.114 944 HB2 SER 123 1HB SER 123 -29.238 -2.217 2.432 945 HB3 SER 123 2HB SER 123 -30.954 -2.596 2.293 946 HG SER 123 HG SER 123 -31.113 -2.762 4.438 947 H GLY 124 H GLY 124 -31.532 -5.653 1.436 948 HA2 GLY 124 1HA GLY 124 -31.829 -4.994 -1.085 949 HA3 GLY 124 2HA GLY 124 -30.227 -5.709 -1.186 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -9.024 12.267 10.358 2 HA2 GLY 1 1HA GLY 1 -10.417 13.984 11.033 3 HA3 GLY 1 2HA GLY 1 -8.942 14.927 10.877 4 H SER 2 H SER 2 -10.232 16.753 10.329 5 HA SER 2 HA SER 2 -11.106 16.711 7.519 6 HB2 SER 2 1HB SER 2 -13.109 16.712 8.908 7 HB3 SER 2 2HB SER 2 -12.504 18.093 9.823 8 HG SER 2 HG SER 2 -12.922 19.400 8.169 9 H SER 3 H SER 3 -10.470 18.968 10.209 10 HA SER 3 HA SER 3 -9.279 20.839 8.296 11 HB2 SER 3 1HB SER 3 -11.059 21.469 10.098 12 HB3 SER 3 2HB SER 3 -9.691 21.444 11.210 13 HG SER 3 HG SER 3 -9.918 23.011 8.852 14 H GLY 4 H GLY 4 -7.216 21.761 8.646 15 HA2 GLY 4 1HA GLY 4 -5.493 21.038 10.762 16 HA3 GLY 4 2HA GLY 4 -5.208 19.968 9.397 17 H SER 5 H SER 5 -3.702 22.277 10.769 18 HA SER 5 HA SER 5 -3.368 24.128 8.551 19 HB2 SER 5 1HB SER 5 -3.391 24.844 10.990 20 HB3 SER 5 2HB SER 5 -1.807 24.083 11.138 21 HG SER 5 HG SER 5 -1.984 26.450 10.568 22 H SER 6 H SER 6 -1.305 21.924 10.443 23 HA SER 6 HA SER 6 0.642 20.856 9.949 24 HB2 SER 6 1HB SER 6 -0.629 21.034 7.222 25 HB3 SER 6 2HB SER 6 0.928 20.244 7.468 26 HG SER 6 HG SER 6 -0.033 18.731 8.736 27 H GLY 7 H GLY 7 0.864 23.605 10.315 28 HA2 GLY 7 1HA GLY 7 2.471 25.236 10.106 29 HA3 GLY 7 2HA GLY 7 3.404 24.099 9.145 30 H GLU 8 H GLU 8 0.446 26.071 8.854 31 HA GLU 8 HA GLU 8 0.240 26.205 6.129 32 HB2 GLU 8 1HB GLU 8 -0.840 28.415 6.445 33 HB3 GLU 8 2HB GLU 8 -1.430 27.196 7.567 34 HG2 GLU 8 1HG GLU 8 0.126 28.122 9.279 35 HG3 GLU 8 2HG GLU 8 0.504 29.423 8.152 36 H THR 9 H THR 9 2.135 28.403 8.190 37 HA THR 9 HA THR 9 3.303 29.729 5.917 38 HB THR 9 HB THR 9 4.541 31.053 7.497 39 HG1 THR 9 1HG THR 9 3.604 29.275 9.521 40 HG21 THR 9 1HG2 THR 9 1.963 30.669 8.955 41 HG22 THR 9 2HG2 THR 9 1.930 31.212 7.277 42 HG23 THR 9 3HG2 THR 9 2.783 32.161 8.494 43 H GLY 10 H GLY 10 4.670 28.549 4.707 44 HA2 GLY 10 1HA GLY 10 6.996 27.381 6.079 45 HA3 GLY 10 2HA GLY 10 6.098 26.404 4.927 46 H GLY 11 H GLY 11 6.388 26.710 2.750 47 HA2 GLY 11 1HA GLY 11 7.442 28.912 1.455 48 HA3 GLY 11 2HA GLY 11 8.827 27.952 1.954 49 H GLU 12 H GLU 12 9.339 26.111 0.856 50 HA GLU 12 HA GLU 12 8.546 25.828 -1.787 51 HB2 GLU 12 1HB GLU 12 9.831 23.889 0.126 52 HB3 GLU 12 2HB GLU 12 9.531 23.478 -1.557 53 HG2 GLU 12 1HG GLU 12 11.085 24.987 -2.344 54 HG3 GLU 12 2HG GLU 12 11.026 25.970 -0.882 55 H ARG 13 H ARG 13 7.616 23.711 -2.698 56 HA ARG 13 HA ARG 13 4.947 23.540 -2.315 57 HB2 ARG 13 1HB ARG 13 5.029 21.266 -3.260 58 HB3 ARG 13 2HB ARG 13 6.077 22.379 -4.128 59 HG2 ARG 13 1HG ARG 13 7.889 21.434 -2.466 60 HG3 ARG 13 2HG ARG 13 6.774 20.067 -2.401 61 HD2 ARG 13 1HD ARG 13 8.201 19.494 -4.140 62 HD3 ARG 13 2HD ARG 13 6.821 20.201 -4.978 63 HE ARG 13 HE ARG 13 8.492 22.304 -4.634 64 HH11 ARG 13 1HH1 ARG 13 8.883 19.118 -5.980 65 HH12 ARG 13 2HH1 ARG 13 10.104 19.603 -7.109 66 HH21 ARG 13 1HH2 ARG 13 10.099 22.955 -6.115 67 HH22 ARG 13 2HH2 ARG 13 10.796 21.785 -7.185 68 H GLN 14 H GLN 14 3.591 21.813 -1.352 69 HA GLN 14 HA GLN 14 4.703 20.746 1.149 70 HB2 GLN 14 1HB GLN 14 2.078 22.214 0.851 71 HB3 GLN 14 2HB GLN 14 2.572 21.338 2.293 72 HG2 GLN 14 1HG GLN 14 4.362 22.848 2.696 73 HG3 GLN 14 2HG GLN 14 4.140 23.621 1.127 74 HE21 GLN 14 1HE2 GLN 14 3.426 23.755 4.385 75 HE22 GLN 14 2HE2 GLN 14 2.160 24.930 4.331 76 H LEU 15 H LEU 15 4.769 18.660 0.371 77 HA LEU 15 HA LEU 15 2.644 17.419 -1.033 78 HB2 LEU 15 1HB LEU 15 4.615 16.325 -1.390 79 HB3 LEU 15 2HB LEU 15 5.156 16.531 0.274 80 HG LEU 15 HG LEU 15 3.686 14.728 0.994 81 HD11 LEU 15 1HD1 LEU 15 3.052 13.856 -1.744 82 HD12 LEU 15 2HD1 LEU 15 2.180 15.279 -1.174 83 HD13 LEU 15 3HD1 LEU 15 2.090 13.768 -0.268 84 HD21 LEU 15 1HD2 LEU 15 4.934 13.341 -1.242 85 HD22 LEU 15 2HD2 LEU 15 5.235 13.202 0.490 86 HD23 LEU 15 3HD2 LEU 15 6.018 14.479 -0.442 87 H SER 16 H SER 16 0.772 16.676 -0.302 88 HA SER 16 HA SER 16 0.505 16.155 2.586 89 HB2 SER 16 1HB SER 16 -0.885 18.018 1.958 90 HB3 SER 16 2HB SER 16 -1.540 17.131 0.581 91 HG SER 16 HG SER 16 -3.019 16.472 1.906 92 HA PRO 17 HA PRO 17 -0.140 11.934 1.362 93 HB2 PRO 17 1HB PRO 17 -0.756 10.999 3.836 94 HB3 PRO 17 2HB PRO 17 0.897 11.374 3.335 95 HG2 PRO 17 1HG PRO 17 -1.009 13.017 4.956 96 HG3 PRO 17 2HG PRO 17 0.724 12.737 5.211 97 HD2 PRO 17 1HD PRO 17 -0.235 15.002 4.078 98 HD3 PRO 17 2HD PRO 17 1.337 14.305 3.636 99 H GLU 18 H GLU 18 -2.452 13.920 3.080 100 HA GLU 18 HA GLU 18 -4.628 12.066 2.841 101 HB2 GLU 18 1HB GLU 18 -5.165 13.433 4.560 102 HB3 GLU 18 2HB GLU 18 -4.214 14.769 3.926 103 HG2 GLU 18 1HG GLU 18 -6.498 15.432 3.969 104 HG3 GLU 18 2HG GLU 18 -6.023 15.208 2.287 105 H LYS 19 H LYS 19 -3.323 14.679 0.937 106 HA LYS 19 HA LYS 19 -5.615 14.908 -0.785 107 HB2 LYS 19 1HB LYS 19 -2.875 16.093 -0.699 108 HB3 LYS 19 2HB LYS 19 -3.766 16.153 -2.214 109 HG2 LYS 19 1HG LYS 19 -5.177 17.042 0.235 110 HG3 LYS 19 2HG LYS 19 -3.903 18.083 -0.404 111 HD2 LYS 19 1HD LYS 19 -6.119 18.671 -1.296 112 HD3 LYS 19 2HD LYS 19 -5.009 18.151 -2.566 113 HE2 LYS 19 1HE LYS 19 -7.167 17.151 -2.941 114 HE3 LYS 19 2HE LYS 19 -6.023 15.896 -2.469 115 HZ1 LYS 19 1HZ LYS 19 -8.139 17.132 -0.802 116 HZ2 LYS 19 2HZ LYS 19 -6.912 16.161 -0.160 117 HZ3 LYS 19 3HZ LYS 19 -8.007 15.512 -1.274 118 H SER 20 H SER 20 -2.441 13.359 -0.947 119 HA SER 20 HA SER 20 -2.211 12.575 -3.518 120 HB2 SER 20 1HB SER 20 -1.800 10.713 -1.166 121 HB3 SER 20 2HB SER 20 -1.044 10.578 -2.754 122 HG SER 20 HG SER 20 -0.531 12.380 -0.676 123 H GLU 21 H GLU 21 -2.987 10.965 -4.865 124 HA GLU 21 HA GLU 21 -5.474 9.665 -3.964 125 HB2 GLU 21 1HB GLU 21 -4.756 10.463 -6.789 126 HB3 GLU 21 2HB GLU 21 -6.287 9.791 -6.245 127 HG2 GLU 21 1HG GLU 21 -6.577 11.813 -4.813 128 HG3 GLU 21 2HG GLU 21 -5.143 12.491 -5.582 129 H ILE 22 H ILE 22 -5.341 7.537 -3.787 130 HA ILE 22 HA ILE 22 -3.250 6.114 -5.276 131 HB ILE 22 HB ILE 22 -4.850 5.204 -2.882 132 HG12 ILE 22 1HG1 ILE 22 -1.943 6.017 -3.080 133 HG13 ILE 22 2HG1 ILE 22 -3.223 7.029 -2.419 134 HG21 ILE 22 1HG2 ILE 22 -2.380 3.864 -3.897 135 HG22 ILE 22 2HG2 ILE 22 -3.675 3.215 -2.892 136 HG23 ILE 22 3HG2 ILE 22 -3.948 3.492 -4.612 137 HD11 ILE 22 1HD1 ILE 22 -3.540 4.788 -0.946 138 HD12 ILE 22 2HD1 ILE 22 -1.799 4.764 -1.228 139 HD13 ILE 22 3HD1 ILE 22 -2.550 6.167 -0.469 140 H TRP 23 H TRP 23 -4.144 5.662 -7.236 141 HA TRP 23 HA TRP 23 -6.767 4.350 -7.297 142 HB2 TRP 23 1HB TRP 23 -6.820 4.854 -9.658 143 HB3 TRP 23 2HB TRP 23 -6.377 6.317 -8.781 144 HD1 TRP 23 HD TRP 23 -4.905 3.684 -11.145 145 HE1 TRP 23 1HE TRP 23 -2.729 4.617 -12.156 146 HE3 TRP 23 3HE TRP 23 -4.485 7.955 -8.367 147 HZ2 TRP 23 2HZ TRP 23 -1.056 6.866 -11.819 148 HZ3 TRP 23 3HZ TRP 23 -2.568 9.443 -8.773 149 HH2 TRP 23 HH TRP 23 -0.890 8.907 -10.463 150 H GLY 24 H GLY 24 -6.996 2.554 -8.927 151 HA2 GLY 24 1HA GLY 24 -5.401 0.964 -10.203 152 HA3 GLY 24 2HA GLY 24 -4.716 0.725 -8.602 153 HA PRO 25 HA PRO 25 -8.675 -1.882 -9.497 154 HB2 PRO 25 1HB PRO 25 -7.629 -4.060 -10.736 155 HB3 PRO 25 2HB PRO 25 -8.255 -2.662 -11.617 156 HG2 PRO 25 1HG PRO 25 -5.424 -3.362 -10.941 157 HG3 PRO 25 2HG PRO 25 -6.089 -2.736 -12.461 158 HD2 PRO 25 1HD PRO 25 -4.815 -1.156 -10.669 159 HD3 PRO 25 2HD PRO 25 -6.141 -0.565 -11.691 160 H GLY 26 H GLY 26 -5.455 -2.424 -8.354 161 HA2 GLY 26 1HA GLY 26 -5.451 -4.866 -7.171 162 HA3 GLY 26 2HA GLY 26 -4.754 -3.446 -6.404 163 H LEU 27 H LEU 27 -7.313 -2.080 -6.129 164 HA LEU 27 HA LEU 27 -8.100 -3.235 -3.629 165 HB2 LEU 27 1HB LEU 27 -9.416 -0.986 -5.140 166 HB3 LEU 27 2HB LEU 27 -9.582 -1.352 -3.424 167 HG LEU 27 HG LEU 27 -6.902 -0.647 -4.557 168 HD11 LEU 27 1HD1 LEU 27 -7.408 1.483 -4.921 169 HD12 LEU 27 2HD1 LEU 27 -8.247 1.612 -3.376 170 HD13 LEU 27 3HD1 LEU 27 -9.109 1.035 -4.802 171 HD21 LEU 27 1HD2 LEU 27 -7.051 -1.516 -2.275 172 HD22 LEU 27 2HD2 LEU 27 -8.194 -0.238 -1.861 173 HD23 LEU 27 3HD2 LEU 27 -6.532 0.170 -2.290 174 H LYS 28 H LYS 28 -9.766 -2.672 -6.725 175 HA LYS 28 HA LYS 28 -12.250 -3.594 -6.292 176 HB2 LYS 28 1HB LYS 28 -10.430 -4.188 -8.620 177 HB3 LYS 28 2HB LYS 28 -12.126 -4.653 -8.611 178 HG2 LYS 28 1HG LYS 28 -12.479 -2.115 -8.024 179 HG3 LYS 28 2HG LYS 28 -10.897 -1.953 -8.792 180 HD2 LYS 28 1HD LYS 28 -13.154 -3.439 -10.106 181 HD3 LYS 28 2HD LYS 28 -12.966 -1.692 -10.275 182 HE2 LYS 28 1HE LYS 28 -10.620 -2.132 -11.069 183 HE3 LYS 28 2HE LYS 28 -11.033 -3.845 -11.112 184 HZ1 LYS 28 1HZ LYS 28 -11.752 -1.736 -12.937 185 HZ2 LYS 28 2HZ LYS 28 -13.055 -2.719 -12.493 186 HZ3 LYS 28 3HZ LYS 28 -11.676 -3.407 -13.190 187 H ALA 29 H ALA 29 -13.343 -5.560 -6.199 188 HA ALA 29 HA ALA 29 -11.996 -7.658 -4.844 189 HB1 ALA 29 1HB ALA 29 -14.462 -6.970 -4.687 190 HB2 ALA 29 2HB ALA 29 -14.688 -7.960 -6.130 191 HB3 ALA 29 3HB ALA 29 -14.078 -8.691 -4.645 192 H ASP 30 H ASP 30 -13.175 -7.270 -8.157 193 HA ASP 30 HA ASP 30 -12.327 -9.921 -8.924 194 HB2 ASP 30 1HB ASP 30 -12.876 -8.906 -11.278 195 HB3 ASP 30 2HB ASP 30 -14.181 -9.282 -10.156 196 H VAL 31 H VAL 31 -10.085 -9.717 -8.313 197 HA VAL 31 HA VAL 31 -8.455 -7.942 -9.969 198 HB VAL 31 HB VAL 31 -6.571 -8.670 -8.548 199 HG11 VAL 31 1HG1 VAL 31 -7.838 -7.856 -6.308 200 HG12 VAL 31 2HG1 VAL 31 -7.324 -6.768 -7.599 201 HG13 VAL 31 3HG1 VAL 31 -8.993 -7.337 -7.534 202 HG21 VAL 31 1HG2 VAL 31 -8.535 -10.650 -7.702 203 HG22 VAL 31 2HG2 VAL 31 -6.775 -10.680 -7.588 204 HG23 VAL 31 3HG2 VAL 31 -7.725 -9.854 -6.353 205 H VAL 32 H VAL 32 -6.328 -8.943 -10.743 206 HA VAL 32 HA VAL 32 -6.852 -10.855 -12.697 207 HB VAL 32 HB VAL 32 -4.454 -11.003 -13.042 208 HG11 VAL 32 1HG1 VAL 32 -3.938 -8.521 -13.153 209 HG12 VAL 32 2HG1 VAL 32 -5.402 -9.057 -13.979 210 HG13 VAL 32 3HG1 VAL 32 -5.515 -8.262 -12.408 211 HG21 VAL 32 1HG2 VAL 32 -3.915 -11.130 -10.583 212 HG22 VAL 32 2HG2 VAL 32 -2.835 -10.123 -11.547 213 HG23 VAL 32 3HG2 VAL 32 -4.073 -9.374 -10.540 214 H LEU 33 H LEU 33 -5.653 -12.975 -12.914 215 HA LEU 33 HA LEU 33 -6.558 -14.816 -11.064 216 HB2 LEU 33 1HB LEU 33 -4.597 -14.841 -13.271 217 HB3 LEU 33 2HB LEU 33 -4.466 -16.153 -12.101 218 HG LEU 33 HG LEU 33 -7.028 -15.503 -13.542 219 HD11 LEU 33 1HD1 LEU 33 -6.483 -16.839 -15.301 220 HD12 LEU 33 2HD1 LEU 33 -5.342 -17.802 -14.363 221 HD13 LEU 33 3HD1 LEU 33 -4.882 -16.198 -14.932 222 HD21 LEU 33 1HD2 LEU 33 -7.318 -18.014 -12.989 223 HD22 LEU 33 2HD2 LEU 33 -7.550 -16.822 -11.710 224 HD23 LEU 33 3HD2 LEU 33 -6.041 -17.732 -11.806 225 HA PRO 34 HA PRO 34 -2.158 -14.989 -9.081 226 HB2 PRO 34 1HB PRO 34 -0.379 -13.077 -9.821 227 HB3 PRO 34 2HB PRO 34 -0.536 -14.621 -10.666 228 HG2 PRO 34 1HG PRO 34 -1.663 -11.943 -11.387 229 HG3 PRO 34 2HG PRO 34 -0.897 -13.152 -12.433 230 HD2 PRO 34 1HD PRO 34 -3.584 -12.854 -12.276 231 HD3 PRO 34 2HD PRO 34 -2.813 -14.425 -12.578 232 H ALA 35 H ALA 35 -1.507 -11.623 -9.602 233 HA ALA 35 HA ALA 35 -3.115 -10.752 -7.349 234 HB1 ALA 35 1HB ALA 35 -0.652 -9.701 -6.653 235 HB2 ALA 35 2HB ALA 35 -1.497 -11.021 -5.843 236 HB3 ALA 35 3HB ALA 35 -0.295 -11.374 -7.085 237 H ARG 36 H ARG 36 -3.712 -8.667 -7.540 238 HA ARG 36 HA ARG 36 -2.541 -7.142 -9.761 239 HB2 ARG 36 1HB ARG 36 -4.988 -7.620 -9.821 240 HB3 ARG 36 2HB ARG 36 -5.170 -6.689 -8.340 241 HG2 ARG 36 1HG ARG 36 -5.708 -5.094 -9.865 242 HG3 ARG 36 2HG ARG 36 -3.965 -4.830 -9.772 243 HD2 ARG 36 1HD ARG 36 -3.962 -6.650 -11.695 244 HD3 ARG 36 2HD ARG 36 -5.598 -6.041 -11.940 245 HE ARG 36 HE ARG 36 -3.584 -3.989 -11.771 246 HH11 ARG 36 1HH1 ARG 36 -5.295 -6.182 -13.864 247 HH12 ARG 36 2HH1 ARG 36 -5.017 -5.242 -15.293 248 HH21 ARG 36 1HH2 ARG 36 -3.211 -2.742 -13.645 249 HH22 ARG 36 2HH2 ARG 36 -3.830 -3.286 -15.167 250 H TYR 37 H TYR 37 -1.368 -5.383 -9.372 251 HA TYR 37 HA TYR 37 -1.242 -4.377 -6.622 252 HB2 TYR 37 1HB TYR 37 0.852 -3.219 -7.478 253 HB3 TYR 37 2HB TYR 37 0.912 -4.977 -7.416 254 HD1 TYR 37 1HD TYR 37 0.611 -2.063 -9.657 255 HD2 TYR 37 2HD TYR 37 1.156 -6.275 -9.407 256 HE1 TYR 37 1HE TYR 37 1.237 -2.117 -12.035 257 HE2 TYR 37 2HE TYR 37 1.784 -6.341 -11.783 258 HH TYR 37 HH TYR 37 1.776 -5.156 -13.723 259 H PHE 38 H PHE 38 -0.399 -1.885 -6.799 260 HA PHE 38 HA PHE 38 -2.169 -0.425 -8.616 261 HB2 PHE 38 1HB PHE 38 -2.945 1.018 -6.752 262 HB3 PHE 38 2HB PHE 38 -3.472 -0.653 -6.582 263 HD1 PHE 38 1HD PHE 38 -1.807 -2.166 -5.177 264 HD2 PHE 38 2HD PHE 38 -2.097 2.072 -4.902 265 HE1 PHE 38 1HE PHE 38 -0.826 -2.248 -2.922 266 HE2 PHE 38 2HE PHE 38 -1.115 1.996 -2.648 267 HZ PHE 38 HZ PHE 38 -0.477 -0.165 -1.655 268 H TYR 39 H TYR 39 -1.787 2.098 -7.963 269 HA TYR 39 HA TYR 39 1.135 2.466 -7.857 270 HB2 TYR 39 1HB TYR 39 -0.724 4.203 -9.474 271 HB3 TYR 39 2HB TYR 39 1.032 4.126 -9.552 272 HD1 TYR 39 1HD TYR 39 -2.066 2.239 -10.312 273 HD2 TYR 39 2HD TYR 39 2.116 2.611 -11.001 274 HE1 TYR 39 1HE TYR 39 -2.228 0.598 -12.138 275 HE2 TYR 39 2HE TYR 39 1.966 0.973 -12.829 276 HH TYR 39 HH TYR 39 -0.230 0.228 -14.459 277 H ILE 40 H ILE 40 1.767 4.727 -7.268 278 HA ILE 40 HA ILE 40 -0.178 5.992 -5.462 279 HB ILE 40 HB ILE 40 2.709 5.395 -4.804 280 HG12 ILE 40 1HG1 ILE 40 0.230 4.552 -3.305 281 HG13 ILE 40 2HG1 ILE 40 0.953 3.559 -4.566 282 HG21 ILE 40 1HG2 ILE 40 1.463 6.395 -2.539 283 HG22 ILE 40 2HG2 ILE 40 2.641 7.231 -3.548 284 HG23 ILE 40 3HG2 ILE 40 0.916 7.453 -3.840 285 HD11 ILE 40 1HD1 ILE 40 2.762 4.491 -2.433 286 HD12 ILE 40 2HD1 ILE 40 1.540 3.303 -1.978 287 HD13 ILE 40 3HD1 ILE 40 2.686 2.940 -3.268 288 H GLN 41 H GLN 41 -0.368 8.110 -5.778 289 HA GLN 41 HA GLN 41 1.804 9.506 -7.199 290 HB2 GLN 41 1HB GLN 41 -0.101 9.372 -8.646 291 HB3 GLN 41 2HB GLN 41 -1.184 9.897 -7.364 292 HG2 GLN 41 1HG GLN 41 -0.976 11.818 -8.583 293 HG3 GLN 41 2HG GLN 41 0.292 12.043 -7.380 294 HE21 GLN 41 1HE2 GLN 41 1.930 13.031 -8.311 295 HE22 GLN 41 2HE2 GLN 41 2.619 12.635 -9.845 296 H ALA 42 H ALA 42 2.438 11.512 -6.480 297 HA ALA 42 HA ALA 42 1.625 12.172 -3.756 298 HB1 ALA 42 1HB ALA 42 4.065 12.294 -5.194 299 HB2 ALA 42 2HB ALA 42 3.639 13.935 -4.705 300 HB3 ALA 42 3HB ALA 42 3.771 12.660 -3.493 301 H VAL 43 H VAL 43 0.440 13.905 -3.223 302 HA VAL 43 HA VAL 43 -0.059 15.945 -5.288 303 HB VAL 43 HB VAL 43 -2.110 14.793 -3.392 304 HG11 VAL 43 1HG1 VAL 43 -2.229 17.055 -5.368 305 HG12 VAL 43 2HG1 VAL 43 -3.674 16.224 -4.790 306 HG13 VAL 43 3HG1 VAL 43 -2.631 17.077 -3.651 307 HG21 VAL 43 1HG2 VAL 43 -1.965 14.628 -6.400 308 HG22 VAL 43 2HG2 VAL 43 -1.516 13.326 -5.297 309 HG23 VAL 43 3HG2 VAL 43 -3.184 13.895 -5.357 310 H ASP 44 H ASP 44 -0.618 18.047 -4.494 311 HA ASP 44 HA ASP 44 0.794 18.707 -2.063 312 HB2 ASP 44 1HB ASP 44 0.817 20.047 -4.258 313 HB3 ASP 44 2HB ASP 44 -0.767 20.640 -3.765 314 H THR 45 H THR 45 -0.343 20.574 -0.735 315 HA THR 45 HA THR 45 -2.502 19.356 0.632 316 HB THR 45 HB THR 45 -2.494 21.218 2.091 317 HG1 THR 45 1HG THR 45 -2.534 23.076 1.050 318 HG21 THR 45 1HG2 THR 45 -0.022 20.054 1.232 319 HG22 THR 45 2HG2 THR 45 -0.494 20.590 2.844 320 HG23 THR 45 3HG2 THR 45 0.258 21.724 1.722 321 H SER 46 H SER 46 -2.400 21.240 -2.174 322 HA SER 46 HA SER 46 -5.142 22.213 -1.842 323 HB2 SER 46 1HB SER 46 -3.106 22.766 -4.015 324 HB3 SER 46 2HB SER 46 -4.712 23.489 -3.920 325 HG SER 46 HG SER 46 -4.084 24.411 -1.919 326 H GLY 47 H GLY 47 -3.183 20.357 -4.169 327 HA2 GLY 47 1HA GLY 47 -4.522 18.184 -4.695 328 HA3 GLY 47 2HA GLY 47 -5.657 19.340 -5.378 329 H ASN 48 H ASN 48 -2.167 19.693 -5.509 330 HA ASN 48 HA ASN 48 -2.336 19.511 -8.435 331 HB2 ASN 48 1HB ASN 48 -0.416 20.920 -6.587 332 HB3 ASN 48 2HB ASN 48 -0.054 20.674 -8.293 333 HD21 ASN 48 1HD2 ASN 48 -2.142 22.265 -6.004 334 HD22 ASN 48 2HD2 ASN 48 -2.783 23.435 -7.101 335 H LYS 49 H LYS 49 -0.761 18.359 -9.618 336 HA LYS 49 HA LYS 49 0.170 15.978 -8.271 337 HB2 LYS 49 1HB LYS 49 0.203 16.888 -11.144 338 HB3 LYS 49 2HB LYS 49 0.992 15.405 -10.623 339 HG2 LYS 49 1HG LYS 49 -1.001 14.349 -10.154 340 HG3 LYS 49 2HG LYS 49 -1.876 15.867 -9.944 341 HD2 LYS 49 1HD LYS 49 -2.672 15.192 -11.991 342 HD3 LYS 49 2HD LYS 49 -1.300 16.186 -12.485 343 HE2 LYS 49 1HE LYS 49 -1.096 13.213 -12.068 344 HE3 LYS 49 2HE LYS 49 -1.533 13.929 -13.619 345 HZ1 LYS 49 1HZ LYS 49 0.735 15.256 -12.738 346 HZ2 LYS 49 2HZ LYS 49 0.617 14.164 -14.024 347 HZ3 LYS 49 3HZ LYS 49 1.029 13.610 -12.480 348 H PHE 50 H PHE 50 2.217 15.483 -7.720 349 HA PHE 50 HA PHE 50 4.176 17.581 -7.720 350 HB2 PHE 50 1HB PHE 50 3.954 14.851 -6.562 351 HB3 PHE 50 2HB PHE 50 5.575 15.494 -6.798 352 HD1 PHE 50 1HD PHE 50 2.288 16.702 -5.501 353 HD2 PHE 50 2HD PHE 50 6.509 16.531 -4.988 354 HE1 PHE 50 1HE PHE 50 2.081 17.975 -3.405 355 HE2 PHE 50 2HE PHE 50 6.309 17.802 -2.891 356 HZ PHE 50 HZ PHE 50 4.093 18.526 -2.097 357 H THR 51 H THR 51 3.951 14.357 -9.201 358 HA THR 51 HA THR 51 5.125 13.370 -10.892 359 HB THR 51 HB THR 51 5.484 14.746 -12.901 360 HG1 THR 51 1HG THR 51 6.008 16.755 -12.398 361 HG21 THR 51 1HG2 THR 51 3.241 15.044 -13.397 362 HG22 THR 51 2HG2 THR 51 2.856 15.636 -11.781 363 HG23 THR 51 3HG2 THR 51 3.164 13.920 -12.042 364 H SER 52 H SER 52 6.689 14.326 -8.635 365 HA SER 52 HA SER 52 9.281 14.617 -9.999 366 HB2 SER 52 1HB SER 52 10.055 16.040 -8.126 367 HB3 SER 52 2HB SER 52 8.713 16.774 -9.003 368 HG SER 52 HG SER 52 7.623 16.759 -7.218 369 H SER 53 H SER 53 11.104 14.159 -8.289 370 HA SER 53 HA SER 53 10.426 11.574 -7.077 371 HB2 SER 53 1HB SER 53 12.890 11.179 -7.102 372 HB3 SER 53 2HB SER 53 12.219 11.464 -8.708 373 HG SER 53 HG SER 53 14.098 12.866 -7.363 374 HA PRO 54 HA PRO 54 10.703 13.989 -3.256 375 HB2 PRO 54 1HB PRO 54 9.402 12.142 -1.751 376 HB3 PRO 54 2HB PRO 54 8.561 13.310 -2.778 377 HG2 PRO 54 1HG PRO 54 9.213 10.437 -3.315 378 HG3 PRO 54 2HG PRO 54 7.712 11.324 -3.641 379 HD2 PRO 54 1HD PRO 54 9.546 10.807 -5.565 380 HD3 PRO 54 2HD PRO 54 8.544 12.272 -5.571 381 H GLY 55 H GLY 55 11.642 10.680 -3.931 382 HA2 GLY 55 1HA GLY 55 14.139 10.713 -2.878 383 HA3 GLY 55 2HA GLY 55 13.133 10.374 -1.478 384 H GLU 56 H GLU 56 14.564 8.400 -1.562 385 HA GLU 56 HA GLU 56 14.160 6.459 -3.596 386 HB2 GLU 56 1HB GLU 56 15.454 6.519 -0.919 387 HB3 GLU 56 2HB GLU 56 15.016 4.944 -1.566 388 HG2 GLU 56 1HG GLU 56 16.939 6.953 -2.672 389 HG3 GLU 56 2HG GLU 56 17.226 5.271 -2.230 390 H LYS 57 H LYS 57 13.298 6.093 -0.164 391 HA LYS 57 HA LYS 57 10.731 4.927 -1.015 392 HB2 LYS 57 1HB LYS 57 12.118 3.945 1.448 393 HB3 LYS 57 2HB LYS 57 10.937 3.126 0.435 394 HG2 LYS 57 1HG LYS 57 13.654 3.772 -0.630 395 HG3 LYS 57 2HG LYS 57 13.397 2.352 0.388 396 HD2 LYS 57 1HD LYS 57 11.613 2.843 -1.961 397 HD3 LYS 57 2HD LYS 57 13.217 2.148 -2.207 398 HE2 LYS 57 1HE LYS 57 11.280 1.017 -0.209 399 HE3 LYS 57 2HE LYS 57 11.259 0.532 -1.904 400 HZ1 LYS 57 1HZ LYS 57 13.102 -0.184 0.187 401 HZ2 LYS 57 2HZ LYS 57 13.866 0.292 -1.244 402 HZ3 LYS 57 3HZ LYS 57 12.751 -0.979 -1.265 403 H VAL 58 H VAL 58 9.480 6.694 -0.551 404 HA VAL 58 HA VAL 58 9.623 7.807 2.162 405 HB VAL 58 HB VAL 58 8.236 9.641 1.320 406 HG11 VAL 58 1HG1 VAL 58 9.887 10.538 -0.376 407 HG12 VAL 58 2HG1 VAL 58 10.565 10.023 1.171 408 HG13 VAL 58 3HG1 VAL 58 10.718 8.988 -0.249 409 HG21 VAL 58 1HG2 VAL 58 6.855 8.788 -0.325 410 HG22 VAL 58 2HG2 VAL 58 8.031 9.696 -1.275 411 HG23 VAL 58 3HG2 VAL 58 8.172 7.943 -1.141 412 H PHE 59 H PHE 59 7.418 6.280 -0.127 413 HA PHE 59 HA PHE 59 5.312 6.218 1.906 414 HB2 PHE 59 1HB PHE 59 5.316 5.650 -1.056 415 HB3 PHE 59 2HB PHE 59 3.941 5.269 -0.025 416 HD1 PHE 59 1HD PHE 59 3.338 7.369 1.604 417 HD2 PHE 59 2HD PHE 59 5.135 7.588 -2.248 418 HE1 PHE 59 1HE PHE 59 2.511 9.673 1.353 419 HE2 PHE 59 2HE PHE 59 4.312 9.893 -2.505 420 HZ PHE 59 HZ PHE 59 2.999 10.938 -0.703 421 H GLN 60 H GLN 60 4.618 4.378 2.863 422 HA GLN 60 HA GLN 60 5.986 1.881 2.104 423 HB2 GLN 60 1HB GLN 60 6.690 2.806 4.303 424 HB3 GLN 60 2HB GLN 60 5.027 2.676 4.858 425 HG2 GLN 60 1HG GLN 60 5.137 0.233 4.455 426 HG3 GLN 60 2HG GLN 60 6.844 0.418 4.055 427 HE21 GLN 60 1HE2 GLN 60 5.075 -0.769 6.341 428 HE22 GLN 60 2HE2 GLN 60 5.945 -0.306 7.760 429 H VAL 61 H VAL 61 4.796 -0.108 2.554 430 HA VAL 61 HA VAL 61 1.887 0.210 2.712 431 HB VAL 61 HB VAL 61 3.279 -1.409 0.574 432 HG11 VAL 61 1HG1 VAL 61 0.323 -0.951 0.901 433 HG12 VAL 61 2HG1 VAL 61 1.139 -2.073 -0.189 434 HG13 VAL 61 3HG1 VAL 61 1.153 -2.365 1.550 435 HG21 VAL 61 1HG2 VAL 61 2.348 1.326 0.659 436 HG22 VAL 61 2HG2 VAL 61 3.287 0.496 -0.582 437 HG23 VAL 61 3HG2 VAL 61 1.526 0.403 -0.599 438 H LYS 62 H LYS 62 0.804 -1.496 3.641 439 HA LYS 62 HA LYS 62 2.437 -3.779 4.530 440 HB2 LYS 62 1HB LYS 62 2.266 -2.560 6.509 441 HB3 LYS 62 2HB LYS 62 0.644 -1.992 6.135 442 HG2 LYS 62 1HG LYS 62 -0.353 -3.894 6.904 443 HG3 LYS 62 2HG LYS 62 1.049 -4.906 6.548 444 HD2 LYS 62 1HD LYS 62 2.159 -3.405 8.421 445 HD3 LYS 62 2HD LYS 62 0.478 -3.204 8.923 446 HE2 LYS 62 1HE LYS 62 1.159 -5.059 10.136 447 HE3 LYS 62 2HE LYS 62 0.362 -5.779 8.739 448 HZ1 LYS 62 1HZ LYS 62 2.777 -5.707 7.779 449 HZ2 LYS 62 2HZ LYS 62 2.290 -6.970 8.793 450 HZ3 LYS 62 3HZ LYS 62 3.213 -5.695 9.414 451 H VAL 63 H VAL 63 1.586 -5.709 4.093 452 HA VAL 63 HA VAL 63 -1.286 -5.845 3.435 453 HB VAL 63 HB VAL 63 0.967 -7.435 2.199 454 HG11 VAL 63 1HG1 VAL 63 -1.436 -7.723 0.753 455 HG12 VAL 63 2HG1 VAL 63 -0.555 -8.958 1.655 456 HG13 VAL 63 3HG1 VAL 63 -1.820 -8.018 2.448 457 HG21 VAL 63 1HG2 VAL 63 -0.078 -6.250 0.111 458 HG22 VAL 63 2HG2 VAL 63 -0.636 -5.080 1.307 459 HG23 VAL 63 3HG2 VAL 63 1.089 -5.402 1.126 460 H SER 64 H SER 64 -2.472 -7.276 4.533 461 HA SER 64 HA SER 64 -1.295 -9.660 5.670 462 HB2 SER 64 1HB SER 64 -1.857 -9.189 7.968 463 HB3 SER 64 2HB SER 64 -0.852 -7.869 7.370 464 HG SER 64 HG SER 64 -3.093 -6.936 6.851 465 H ALA 65 H ALA 65 -2.797 -11.249 6.127 466 HA ALA 65 HA ALA 65 -5.540 -10.650 5.252 467 HB1 ALA 65 1HB ALA 65 -5.501 -12.535 4.073 468 HB2 ALA 65 2HB ALA 65 -3.775 -12.630 4.425 469 HB3 ALA 65 3HB ALA 65 -4.933 -13.468 5.458 470 HA PRO 66 HA PRO 66 -6.984 -11.325 9.366 471 HB2 PRO 66 1HB PRO 66 -9.599 -11.779 8.792 472 HB3 PRO 66 2HB PRO 66 -8.865 -10.172 8.724 473 HG2 PRO 66 1HG PRO 66 -9.439 -12.087 6.496 474 HG3 PRO 66 2HG PRO 66 -9.690 -10.332 6.556 475 HD2 PRO 66 1HD PRO 66 -7.566 -11.459 5.311 476 HD3 PRO 66 2HD PRO 66 -7.476 -9.874 6.106 477 H GLU 67 H GLU 67 -8.235 -13.581 6.898 478 HA GLU 67 HA GLU 67 -9.079 -15.658 8.428 479 HB2 GLU 67 1HB GLU 67 -9.062 -15.523 5.908 480 HB3 GLU 67 2HB GLU 67 -7.386 -16.049 5.960 481 HG2 GLU 67 1HG GLU 67 -7.923 -18.178 6.588 482 HG3 GLU 67 2HG GLU 67 -9.429 -17.688 7.363 483 H GLU 68 H GLU 68 -5.820 -15.769 6.996 484 HA GLU 68 HA GLU 68 -4.926 -17.593 9.032 485 HB2 GLU 68 1HB GLU 68 -3.334 -16.210 6.866 486 HB3 GLU 68 2HB GLU 68 -2.803 -17.581 7.830 487 HG2 GLU 68 1HG GLU 68 -5.186 -17.650 5.998 488 HG3 GLU 68 2HG GLU 68 -3.562 -18.142 5.523 489 H GLN 69 H GLN 69 -3.548 -17.209 10.711 490 HA GLN 69 HA GLN 69 -3.460 -14.574 11.767 491 HB2 GLN 69 1HB GLN 69 -2.180 -15.546 13.593 492 HB3 GLN 69 2HB GLN 69 -3.544 -16.581 13.191 493 HG2 GLN 69 1HG GLN 69 -1.946 -17.949 11.806 494 HG3 GLN 69 2HG GLN 69 -0.645 -17.010 12.536 495 HE21 GLN 69 1HE2 GLN 69 -3.075 -19.424 13.043 496 HE22 GLN 69 2HE2 GLN 69 -2.531 -19.944 14.598 497 H PHE 70 H PHE 70 -1.019 -16.692 10.310 498 HA PHE 70 HA PHE 70 0.860 -14.434 10.276 499 HB2 PHE 70 1HB PHE 70 2.623 -16.060 9.959 500 HB3 PHE 70 2HB PHE 70 1.632 -16.555 11.327 501 HD1 PHE 70 2HD PHE 70 2.184 -17.161 7.710 502 HD2 PHE 70 1HD PHE 70 0.665 -18.671 11.388 503 HE1 PHE 70 2HE PHE 70 1.850 -19.363 6.664 504 HE2 PHE 70 1HE PHE 70 0.329 -20.876 10.348 505 HZ PHE 70 HZ PHE 70 0.921 -21.224 7.983 506 H THR 71 H THR 71 1.434 -13.490 8.419 507 HA THR 71 HA THR 71 0.762 -14.838 5.890 508 HB THR 71 HB THR 71 0.216 -11.952 6.599 509 HG1 THR 71 1HG THR 71 -1.326 -14.249 6.192 510 HG21 THR 71 1HG2 THR 71 0.415 -11.402 4.450 511 HG22 THR 71 2HG2 THR 71 -0.758 -12.645 4.015 512 HG23 THR 71 3HG2 THR 71 0.960 -13.038 4.083 513 H ARG 72 H ARG 72 2.283 -14.738 4.331 514 HA ARG 72 HA ARG 72 4.674 -13.111 4.894 515 HB2 ARG 72 1HB ARG 72 5.885 -14.817 3.492 516 HB3 ARG 72 2HB ARG 72 5.265 -15.415 5.025 517 HG2 ARG 72 1HG ARG 72 3.273 -16.281 3.753 518 HG3 ARG 72 2HG ARG 72 4.153 -15.890 2.275 519 HD2 ARG 72 1HD ARG 72 5.502 -17.527 4.367 520 HD3 ARG 72 2HD ARG 72 4.285 -18.290 3.345 521 HE ARG 72 HE ARG 72 6.934 -17.580 2.596 522 HH11 ARG 72 1HH1 ARG 72 3.676 -17.815 1.392 523 HH12 ARG 72 2HH1 ARG 72 4.162 -18.063 -0.252 524 HH21 ARG 72 1HH2 ARG 72 7.587 -17.905 0.435 525 HH22 ARG 72 2HH2 ARG 72 6.387 -18.115 -0.795 526 H VAL 73 H VAL 73 4.687 -11.360 3.646 527 HA VAL 73 HA VAL 73 4.190 -11.694 0.772 528 HB VAL 73 HB VAL 73 3.082 -9.436 2.448 529 HG11 VAL 73 1HG1 VAL 73 2.164 -8.544 0.420 530 HG12 VAL 73 2HG1 VAL 73 3.900 -8.764 0.193 531 HG13 VAL 73 3HG1 VAL 73 2.765 -9.916 -0.511 532 HG21 VAL 73 1HG2 VAL 73 1.988 -11.981 1.552 533 HG22 VAL 73 2HG2 VAL 73 1.386 -10.856 2.770 534 HG23 VAL 73 3HG2 VAL 73 1.005 -10.600 1.067 535 H GLY 74 H GLY 74 5.810 -10.916 -0.409 536 HA2 GLY 74 1HA GLY 74 7.832 -9.261 0.897 537 HA3 GLY 74 2HA GLY 74 8.003 -10.092 -0.643 538 H VAL 75 H VAL 75 6.287 -7.396 0.907 539 HA VAL 75 HA VAL 75 5.587 -6.142 -1.556 540 HB VAL 75 HB VAL 75 5.684 -5.035 1.253 541 HG11 VAL 75 1HG1 VAL 75 4.555 -3.843 -1.276 542 HG12 VAL 75 2HG1 VAL 75 4.232 -3.233 0.348 543 HG13 VAL 75 3HG1 VAL 75 5.874 -3.206 -0.296 544 HG21 VAL 75 1HG2 VAL 75 3.366 -5.989 -0.427 545 HG22 VAL 75 2HG2 VAL 75 4.080 -6.859 0.931 546 HG23 VAL 75 3HG2 VAL 75 3.262 -5.320 1.202 547 H GLN 76 H GLN 76 6.489 -4.347 -2.554 548 HA GLN 76 HA GLN 76 8.952 -3.215 -1.517 549 HB2 GLN 76 1HB GLN 76 9.776 -5.149 -2.739 550 HB3 GLN 76 2HB GLN 76 8.850 -4.681 -4.158 551 HG2 GLN 76 1HG GLN 76 10.289 -3.002 -4.721 552 HG3 GLN 76 2HG GLN 76 10.818 -2.748 -3.058 553 HE21 GLN 76 1HE2 GLN 76 12.383 -3.094 -5.501 554 HE22 GLN 76 2HE2 GLN 76 13.419 -4.447 -5.214 555 H VAL 77 H VAL 77 9.040 -1.105 -1.946 556 HA VAL 77 HA VAL 77 7.202 -0.035 -3.980 557 HB VAL 77 HB VAL 77 8.381 1.263 -1.523 558 HG11 VAL 77 1HG1 VAL 77 8.289 3.153 -2.735 559 HG12 VAL 77 2HG1 VAL 77 7.242 2.436 -3.962 560 HG13 VAL 77 3HG1 VAL 77 6.552 3.038 -2.454 561 HG21 VAL 77 1HG2 VAL 77 5.487 0.857 -2.236 562 HG22 VAL 77 2HG2 VAL 77 6.416 -0.320 -1.307 563 HG23 VAL 77 3HG2 VAL 77 6.173 1.309 -0.676 564 H LEU 78 H LEU 78 8.375 0.047 -5.830 565 HA LEU 78 HA LEU 78 10.963 1.449 -5.735 566 HB2 LEU 78 1HB LEU 78 10.667 -0.995 -6.635 567 HB3 LEU 78 2HB LEU 78 10.089 -0.172 -8.082 568 HG LEU 78 HG LEU 78 12.511 -0.857 -8.095 569 HD11 LEU 78 1HD1 LEU 78 12.278 2.112 -8.354 570 HD12 LEU 78 2HD1 LEU 78 11.371 1.046 -9.427 571 HD13 LEU 78 3HD1 LEU 78 13.132 0.961 -9.382 572 HD21 LEU 78 1HD2 LEU 78 14.054 0.045 -6.690 573 HD22 LEU 78 2HD2 LEU 78 12.661 0.070 -5.609 574 HD23 LEU 78 3HD2 LEU 78 13.142 1.537 -6.463 575 H ASP 79 H ASP 79 11.343 3.168 -7.078 576 HA ASP 79 HA ASP 79 8.982 4.436 -8.203 577 HB2 ASP 79 1HB ASP 79 10.697 5.650 -6.775 578 HB3 ASP 79 2HB ASP 79 11.791 5.539 -8.151 579 H ARG 80 H ARG 80 8.416 3.928 -10.210 580 HA ARG 80 HA ARG 80 10.482 3.202 -12.153 581 HB2 ARG 80 1HB ARG 80 7.473 2.933 -12.268 582 HB3 ARG 80 2HB ARG 80 8.576 2.420 -13.537 583 HG2 ARG 80 1HG ARG 80 9.667 0.981 -11.694 584 HG3 ARG 80 2HG ARG 80 8.159 1.254 -10.818 585 HD2 ARG 80 1HD ARG 80 8.159 -0.844 -12.130 586 HD3 ARG 80 2HD ARG 80 6.883 0.275 -12.608 587 HE ARG 80 HE ARG 80 7.876 0.486 -14.667 588 HH11 ARG 80 1HH1 ARG 80 10.071 -1.090 -12.472 589 HH12 ARG 80 2HH1 ARG 80 11.209 -1.514 -13.708 590 HH21 ARG 80 1HH2 ARG 80 9.366 -0.066 -16.303 591 HH22 ARG 80 2HH2 ARG 80 10.807 -0.931 -15.887 592 H LYS 81 H LYS 81 7.480 5.135 -12.137 593 HA LYS 81 HA LYS 81 8.237 6.607 -14.464 594 HB2 LYS 81 1HB LYS 81 5.868 6.125 -13.260 595 HB3 LYS 81 2HB LYS 81 6.191 7.742 -12.649 596 HG2 LYS 81 1HG LYS 81 6.715 8.160 -15.232 597 HG3 LYS 81 2HG LYS 81 5.557 6.837 -15.388 598 HD2 LYS 81 1HD LYS 81 4.156 8.252 -13.695 599 HD3 LYS 81 2HD LYS 81 5.170 9.579 -14.265 600 HE2 LYS 81 1HE LYS 81 4.505 8.667 -16.628 601 HE3 LYS 81 2HE LYS 81 3.156 7.949 -15.749 602 HZ1 LYS 81 1HZ LYS 81 3.230 10.472 -16.730 603 HZ2 LYS 81 2HZ LYS 81 3.595 10.711 -15.096 604 HZ3 LYS 81 3HZ LYS 81 2.166 9.919 -15.536 605 H ASP 82 H ASP 82 7.771 9.191 -14.080 606 HA ASP 82 HA ASP 82 10.138 10.106 -12.786 607 HB2 ASP 82 1HB ASP 82 7.871 11.887 -13.654 608 HB3 ASP 82 2HB ASP 82 9.595 12.244 -13.616 609 H GLY 83 H GLY 83 6.681 10.308 -12.023 610 HA2 GLY 83 1HA GLY 83 7.434 10.937 -9.246 611 HA3 GLY 83 2HA GLY 83 6.212 11.903 -10.059 612 H SER 84 H SER 84 6.812 8.396 -9.986 613 HA SER 84 HA SER 84 4.377 7.950 -8.481 614 HB2 SER 84 1HB SER 84 4.655 7.180 -11.382 615 HB3 SER 84 2HB SER 84 3.563 6.321 -10.297 616 HG SER 84 HG SER 84 3.172 8.640 -11.549 617 H PHE 85 H PHE 85 4.400 6.049 -7.376 618 HA PHE 85 HA PHE 85 6.729 4.302 -7.825 619 HB2 PHE 85 1HB PHE 85 5.267 4.942 -5.257 620 HB3 PHE 85 2HB PHE 85 6.535 3.729 -5.401 621 HD1 PHE 85 2HD PHE 85 6.021 7.305 -6.352 622 HD2 PHE 85 1HD PHE 85 8.606 4.367 -4.677 623 HE1 PHE 85 2HE PHE 85 7.719 9.037 -5.943 624 HE2 PHE 85 1HE PHE 85 10.308 6.095 -4.264 625 HZ PHE 85 HZ PHE 85 9.866 8.434 -4.898 626 H ILE 86 H ILE 86 6.452 2.099 -7.851 627 HA ILE 86 HA ILE 86 3.658 1.179 -7.978 628 HB ILE 86 HB ILE 86 5.020 0.961 -10.066 629 HG12 ILE 86 1HG1 ILE 86 4.541 -1.635 -10.212 630 HG13 ILE 86 2HG1 ILE 86 3.754 -1.356 -8.662 631 HG21 ILE 86 1HG2 ILE 86 7.078 0.279 -8.563 632 HG22 ILE 86 2HG2 ILE 86 6.458 -1.344 -8.860 633 HG23 ILE 86 3HG2 ILE 86 6.912 -0.312 -10.216 634 HD11 ILE 86 1HD1 ILE 86 1.966 -0.521 -9.659 635 HD12 ILE 86 2HD1 ILE 86 2.943 0.625 -10.578 636 HD13 ILE 86 3HD1 ILE 86 2.673 -1.003 -11.201 637 H VAL 87 H VAL 87 2.983 -0.526 -6.771 638 HA VAL 87 HA VAL 87 4.912 -1.594 -4.822 639 HB VAL 87 HB VAL 87 1.898 -1.456 -4.639 640 HG11 VAL 87 1HG1 VAL 87 1.989 -2.527 -2.607 641 HG12 VAL 87 2HG1 VAL 87 3.256 -3.379 -3.492 642 HG13 VAL 87 3HG1 VAL 87 3.682 -2.112 -2.341 643 HG21 VAL 87 1HG2 VAL 87 2.664 0.052 -2.623 644 HG22 VAL 87 2HG2 VAL 87 4.104 0.268 -3.619 645 HG23 VAL 87 3HG2 VAL 87 2.520 0.717 -4.250 646 H ARG 88 H ARG 88 5.658 -3.527 -5.395 647 HA ARG 88 HA ARG 88 3.755 -5.479 -6.517 648 HB2 ARG 88 1HB ARG 88 5.637 -6.485 -7.735 649 HB3 ARG 88 2HB ARG 88 5.388 -4.808 -8.200 650 HG2 ARG 88 1HG ARG 88 7.219 -4.206 -6.578 651 HG3 ARG 88 2HG ARG 88 7.551 -5.935 -6.448 652 HD2 ARG 88 1HD ARG 88 7.387 -4.707 -9.156 653 HD3 ARG 88 2HD ARG 88 8.829 -4.417 -8.183 654 HE ARG 88 HE ARG 88 9.428 -6.629 -8.445 655 HH11 ARG 88 1HH1 ARG 88 6.194 -6.116 -9.627 656 HH12 ARG 88 2HH1 ARG 88 6.089 -7.665 -10.396 657 HH21 ARG 88 1HH2 ARG 88 9.303 -8.671 -9.454 658 HH22 ARG 88 2HH2 ARG 88 7.858 -9.118 -10.296 659 H TYR 89 H TYR 89 3.658 -7.460 -5.593 660 HA TYR 89 HA TYR 89 5.656 -8.149 -3.555 661 HB2 TYR 89 1HB TYR 89 3.833 -8.949 -2.067 662 HB3 TYR 89 2HB TYR 89 3.793 -7.208 -2.327 663 HD1 TYR 89 2HD TYR 89 2.136 -10.400 -3.095 664 HD2 TYR 89 1HD TYR 89 1.961 -6.167 -3.483 665 HE1 TYR 89 2HE TYR 89 -0.209 -10.569 -3.817 666 HE2 TYR 89 1HE TYR 89 -0.385 -6.324 -4.205 667 HH TYR 89 HH TYR 89 -2.215 -9.175 -3.897 668 H ARG 90 H ARG 90 5.747 -10.421 -3.038 669 HA ARG 90 HA ARG 90 4.767 -12.104 -5.249 670 HB2 ARG 90 1HB ARG 90 7.318 -12.101 -3.689 671 HB3 ARG 90 2HB ARG 90 6.723 -13.621 -4.346 672 HG2 ARG 90 1HG ARG 90 6.915 -12.872 -6.556 673 HG3 ARG 90 2HG ARG 90 7.056 -11.184 -6.060 674 HD2 ARG 90 1HD ARG 90 9.196 -11.978 -4.839 675 HD3 ARG 90 2HD ARG 90 9.085 -13.380 -5.901 676 HE ARG 90 HE ARG 90 9.820 -10.690 -6.638 677 HH11 ARG 90 1HH1 ARG 90 8.653 -13.777 -7.748 678 HH12 ARG 90 2HH1 ARG 90 9.183 -13.537 -9.380 679 HH21 ARG 90 1HH2 ARG 90 10.523 -10.362 -8.783 680 HH22 ARG 90 2HH2 ARG 90 10.247 -11.595 -9.968 681 H MET 91 H MET 91 3.584 -13.881 -4.805 682 HA MET 91 HA MET 91 3.535 -15.030 -2.153 683 HB2 MET 91 1HB MET 91 1.867 -13.019 -2.316 684 HB3 MET 91 2HB MET 91 0.879 -14.152 -3.227 685 HG2 MET 91 1HG MET 91 0.465 -15.473 -1.413 686 HG3 MET 91 2HG MET 91 1.963 -15.020 -0.604 687 HE1 MET 91 1HE MET 91 -1.716 -14.796 0.090 688 HE2 MET 91 2HE MET 91 -0.355 -15.410 1.027 689 HE3 MET 91 3HE MET 91 -1.252 -14.001 1.595 690 H TYR 92 H TYR 92 3.447 -17.158 -2.398 691 HA TYR 92 HA TYR 92 2.313 -18.239 -4.886 692 HB2 TYR 92 1HB TYR 92 4.393 -19.312 -2.983 693 HB3 TYR 92 2HB TYR 92 3.647 -20.308 -4.228 694 HD1 TYR 92 1HD TYR 92 5.347 -16.991 -3.903 695 HD2 TYR 92 2HD TYR 92 4.752 -20.494 -6.243 696 HE1 TYR 92 1HE TYR 92 6.997 -16.174 -5.534 697 HE2 TYR 92 2HE TYR 92 6.401 -19.688 -7.880 698 HH TYR 92 HH TYR 92 7.381 -16.642 -8.154 699 H ALA 93 H ALA 93 0.427 -17.547 -3.079 700 HA ALA 93 HA ALA 93 -0.683 -20.139 -2.364 701 HB1 ALA 93 1HB ALA 93 -0.319 -19.969 -0.184 702 HB2 ALA 93 2HB ALA 93 0.455 -18.399 -0.408 703 HB3 ALA 93 3HB ALA 93 -1.288 -18.495 -0.155 704 H SER 94 H SER 94 -2.825 -20.229 -2.715 705 HA SER 94 HA SER 94 -4.134 -18.035 -3.962 706 HB2 SER 94 1HB SER 94 -4.967 -20.794 -3.128 707 HB3 SER 94 2HB SER 94 -6.185 -19.630 -3.651 708 HG SER 94 HG SER 94 -3.903 -19.995 -5.232 709 H TYR 95 H TYR 95 -4.667 -16.288 -2.812 710 HA TYR 95 HA TYR 95 -5.764 -16.629 -0.115 711 HB2 TYR 95 1HB TYR 95 -5.363 -14.212 0.142 712 HB3 TYR 95 2HB TYR 95 -3.895 -15.069 -0.315 713 HD1 TYR 95 1HD TYR 95 -6.693 -13.086 -1.773 714 HD2 TYR 95 2HD TYR 95 -2.640 -14.330 -2.131 715 HE1 TYR 95 1HE TYR 95 -6.397 -11.551 -3.671 716 HE2 TYR 95 2HE TYR 95 -2.332 -12.797 -4.030 717 HH TYR 95 HH TYR 95 -4.871 -11.375 -5.675 718 H LYS 96 H LYS 96 -7.753 -15.811 0.483 719 HA LYS 96 HA LYS 96 -9.604 -15.338 -1.733 720 HB2 LYS 96 1HB LYS 96 -10.171 -15.891 1.186 721 HB3 LYS 96 2HB LYS 96 -11.374 -15.781 -0.092 722 HG2 LYS 96 1HG LYS 96 -9.160 -17.761 -0.339 723 HG3 LYS 96 2HG LYS 96 -10.522 -18.102 0.732 724 HD2 LYS 96 1HD LYS 96 -10.989 -17.213 -2.091 725 HD3 LYS 96 2HD LYS 96 -10.618 -18.902 -1.733 726 HE2 LYS 96 1HE LYS 96 -12.760 -17.505 -0.191 727 HE3 LYS 96 2HE LYS 96 -13.100 -18.074 -1.824 728 HZ1 LYS 96 1HZ LYS 96 -12.072 -20.267 -0.911 729 HZ2 LYS 96 2HZ LYS 96 -13.686 -19.886 -0.583 730 HZ3 LYS 96 3HZ LYS 96 -12.501 -19.625 0.595 731 H ASN 97 H ASN 97 -8.905 -13.988 1.494 732 HA ASN 97 HA ASN 97 -9.764 -11.364 0.469 733 HB2 ASN 97 1HB ASN 97 -11.505 -12.040 1.942 734 HB3 ASN 97 2HB ASN 97 -10.359 -12.634 3.141 735 HD21 ASN 97 1HD2 ASN 97 -11.172 -11.377 4.782 736 HD22 ASN 97 2HD2 ASN 97 -10.967 -9.662 4.838 737 H LEU 98 H LEU 98 -8.639 -9.556 1.236 738 HA LEU 98 HA LEU 98 -6.391 -9.953 3.034 739 HB2 LEU 98 1HB LEU 98 -6.118 -9.236 0.136 740 HB3 LEU 98 2HB LEU 98 -4.917 -8.724 1.320 741 HG LEU 98 HG LEU 98 -5.658 -11.612 0.925 742 HD11 LEU 98 1HD1 LEU 98 -3.820 -11.862 -0.574 743 HD12 LEU 98 2HD1 LEU 98 -3.354 -10.173 -0.375 744 HD13 LEU 98 3HD1 LEU 98 -4.857 -10.582 -1.203 745 HD21 LEU 98 1HD2 LEU 98 -3.237 -10.251 2.102 746 HD22 LEU 98 2HD2 LEU 98 -3.476 -11.992 1.956 747 HD23 LEU 98 3HD2 LEU 98 -4.526 -11.043 3.010 748 H LYS 99 H LYS 99 -5.365 -7.912 3.654 749 HA LYS 99 HA LYS 99 -7.193 -5.622 3.337 750 HB2 LYS 99 1HB LYS 99 -7.158 -6.682 5.623 751 HB3 LYS 99 2HB LYS 99 -5.472 -6.197 5.752 752 HG2 LYS 99 1HG LYS 99 -6.372 -3.823 5.242 753 HG3 LYS 99 2HG LYS 99 -7.930 -4.499 5.723 754 HD2 LYS 99 1HD LYS 99 -5.415 -4.509 7.393 755 HD3 LYS 99 2HD LYS 99 -6.787 -3.418 7.604 756 HE2 LYS 99 1HE LYS 99 -8.222 -5.448 7.944 757 HE3 LYS 99 2HE LYS 99 -6.745 -6.410 7.958 758 HZ1 LYS 99 1HZ LYS 99 -7.173 -4.131 9.799 759 HZ2 LYS 99 2HZ LYS 99 -6.010 -5.354 9.908 760 HZ3 LYS 99 3HZ LYS 99 -7.640 -5.710 10.188 761 H VAL 100 H VAL 100 -6.329 -3.932 2.342 762 HA VAL 100 HA VAL 100 -3.432 -3.784 2.020 763 HB VAL 100 HB VAL 100 -5.528 -2.019 0.752 764 HG11 VAL 100 1HG1 VAL 100 -3.315 -2.262 -0.911 765 HG12 VAL 100 2HG1 VAL 100 -3.743 -0.868 0.083 766 HG13 VAL 100 3HG1 VAL 100 -2.636 -2.091 0.707 767 HG21 VAL 100 1HG2 VAL 100 -6.157 -3.956 -0.235 768 HG22 VAL 100 2HG2 VAL 100 -4.755 -3.627 -1.253 769 HG23 VAL 100 3HG2 VAL 100 -4.620 -4.754 0.096 770 H GLU 101 H GLU 101 -2.169 -2.140 2.770 771 HA GLU 101 HA GLU 101 -3.447 0.077 4.191 772 HB2 GLU 101 1HB GLU 101 -1.547 -1.927 5.364 773 HB3 GLU 101 2HB GLU 101 -1.590 -0.282 5.982 774 HG2 GLU 101 1HG GLU 101 -3.884 -0.506 6.611 775 HG3 GLU 101 2HG GLU 101 -3.998 -2.076 5.817 776 H ILE 102 H ILE 102 -2.389 1.986 4.015 777 HA ILE 102 HA ILE 102 0.374 2.032 3.087 778 HB ILE 102 HB ILE 102 -1.813 3.482 1.593 779 HG12 ILE 102 1HG1 ILE 102 -0.811 1.934 -0.287 780 HG13 ILE 102 2HG1 ILE 102 -0.335 0.930 1.078 781 HG21 ILE 102 1HG2 ILE 102 1.172 3.483 1.407 782 HG22 ILE 102 2HG2 ILE 102 0.188 3.818 -0.017 783 HG23 ILE 102 3HG2 ILE 102 0.051 4.844 1.410 784 HD11 ILE 102 1HD1 ILE 102 -2.403 0.171 1.362 785 HD12 ILE 102 2HD1 ILE 102 -3.107 1.782 1.220 786 HD13 ILE 102 3HD1 ILE 102 -2.741 0.849 -0.231 787 H LYS 103 H LYS 103 1.272 3.214 4.650 788 HA LYS 103 HA LYS 103 -0.028 5.756 5.382 789 HB2 LYS 103 1HB LYS 103 1.823 4.220 7.195 790 HB3 LYS 103 2HB LYS 103 0.732 5.535 7.614 791 HG2 LYS 103 1HG LYS 103 -0.370 3.688 8.440 792 HG3 LYS 103 2HG LYS 103 -1.132 3.905 6.863 793 HD2 LYS 103 1HD LYS 103 -0.130 2.045 5.972 794 HD3 LYS 103 2HD LYS 103 1.265 2.149 7.048 795 HE2 LYS 103 1HE LYS 103 -1.517 1.258 7.798 796 HE3 LYS 103 2HE LYS 103 -0.102 0.223 7.612 797 HZ1 LYS 103 1HZ LYS 103 0.155 0.536 9.790 798 HZ2 LYS 103 2HZ LYS 103 -0.890 1.866 9.835 799 HZ3 LYS 103 3HZ LYS 103 0.730 2.077 9.395 800 H PHE 104 H PHE 104 1.652 7.303 6.405 801 HA PHE 104 HA PHE 104 4.291 7.087 5.193 802 HB2 PHE 104 1HB PHE 104 3.171 8.203 3.418 803 HB3 PHE 104 2HB PHE 104 2.308 9.260 4.530 804 HD1 PHE 104 1HD PHE 104 5.921 8.394 4.377 805 HD2 PHE 104 2HD PHE 104 2.946 11.411 3.972 806 HE1 PHE 104 1HE PHE 104 7.683 10.092 4.123 807 HE2 PHE 104 2HE PHE 104 4.703 13.114 3.716 808 HZ PHE 104 HZ PHE 104 7.075 12.455 3.791 809 H GLN 105 H GLN 105 5.709 7.575 6.719 810 HA GLN 105 HA GLN 105 6.544 8.305 8.724 811 HB2 GLN 105 1HB GLN 105 6.507 10.793 8.938 812 HB3 GLN 105 2HB GLN 105 7.044 10.219 7.365 813 HG2 GLN 105 1HG GLN 105 4.898 10.725 6.397 814 HG3 GLN 105 2HG GLN 105 4.259 11.179 7.976 815 HE21 GLN 105 1HE2 GLN 105 3.740 13.167 6.776 816 HE22 GLN 105 2HE2 GLN 105 4.942 14.405 6.685 817 H GLY 106 H GLY 106 4.170 7.045 9.188 818 HA2 GLY 106 1HA GLY 106 2.682 6.774 10.925 819 HA3 GLY 106 2HA GLY 106 3.374 8.210 11.666 820 H GLN 107 H GLN 107 2.062 8.276 8.436 821 HA GLN 107 HA GLN 107 -0.431 9.463 9.389 822 HB2 GLN 107 1HB GLN 107 1.524 10.843 7.548 823 HB3 GLN 107 2HB GLN 107 -0.145 11.354 7.759 824 HG2 GLN 107 1HG GLN 107 0.210 12.042 9.950 825 HG3 GLN 107 2HG GLN 107 1.690 11.097 10.106 826 HE21 GLN 107 1HE2 GLN 107 3.514 12.182 9.975 827 HE22 GLN 107 2HE2 GLN 107 3.733 13.720 9.220 828 H HIS 108 H HIS 108 -1.999 8.396 8.398 829 HA HIS 108 HA HIS 108 -1.698 6.703 6.214 830 HB2 HIS 108 1HB HIS 108 -4.085 8.026 7.467 831 HB3 HIS 108 2HB HIS 108 -4.271 7.048 6.015 832 HD1 HIS 108 1HD HIS 108 -3.689 4.486 6.246 833 HD2 HIS 108 2HD HIS 108 -3.768 6.613 9.814 834 HE1 HIS 108 1HE HIS 108 -3.780 2.749 8.062 835 HE2 HIS 108 2HE HIS 108 -3.913 4.060 10.208 836 H VAL 109 H VAL 109 -2.015 6.895 4.030 837 HA VAL 109 HA VAL 109 -2.056 9.642 2.995 838 HB VAL 109 HB VAL 109 -1.180 7.077 1.660 839 HG11 VAL 109 1HG1 VAL 109 -0.972 9.903 0.630 840 HG12 VAL 109 2HG1 VAL 109 -0.461 8.430 -0.196 841 HG13 VAL 109 3HG1 VAL 109 -2.174 8.728 0.099 842 HG21 VAL 109 1HG2 VAL 109 0.371 9.416 2.759 843 HG22 VAL 109 2HG2 VAL 109 0.395 7.752 3.343 844 HG23 VAL 109 3HG2 VAL 109 1.067 8.140 1.760 845 H ALA 110 H ALA 110 -3.822 6.666 3.019 846 HA ALA 110 HA ALA 110 -5.841 7.890 1.261 847 HB1 ALA 110 1HB ALA 110 -5.338 6.297 -0.230 848 HB2 ALA 110 2HB ALA 110 -4.467 5.326 0.958 849 HB3 ALA 110 3HB ALA 110 -6.224 5.219 0.849 850 H LYS 111 H LYS 111 -7.881 6.197 1.442 851 HA LYS 111 HA LYS 111 -9.006 6.714 3.951 852 HB2 LYS 111 1HB LYS 111 -10.649 6.368 2.400 853 HB3 LYS 111 2HB LYS 111 -9.755 5.096 1.578 854 HG2 LYS 111 1HG LYS 111 -11.699 4.135 2.573 855 HG3 LYS 111 2HG LYS 111 -10.284 3.577 3.469 856 HD2 LYS 111 1HD LYS 111 -11.687 4.144 5.197 857 HD3 LYS 111 2HD LYS 111 -10.812 5.662 4.977 858 HE2 LYS 111 1HE LYS 111 -12.697 6.345 3.418 859 HE3 LYS 111 2HE LYS 111 -13.580 4.951 4.038 860 HZ1 LYS 111 1HZ LYS 111 -13.413 5.864 6.259 861 HZ2 LYS 111 2HZ LYS 111 -14.147 6.983 5.226 862 HZ3 LYS 111 3HZ LYS 111 -12.532 7.190 5.685 863 H SER 112 H SER 112 -6.715 4.423 3.107 864 HA SER 112 HA SER 112 -7.174 2.076 4.287 865 HB2 SER 112 1HB SER 112 -4.987 2.191 3.620 866 HB3 SER 112 2HB SER 112 -4.770 3.826 4.245 867 HG SER 112 HG SER 112 -4.233 1.440 5.424 868 HA PRO 113 HA PRO 113 -6.014 0.594 5.711 869 HB2 PRO 113 1HB PRO 113 -7.419 -1.201 7.186 870 HB3 PRO 113 2HB PRO 113 -5.923 -0.451 7.755 871 HG2 PRO 113 1HG PRO 113 -8.760 0.260 8.392 872 HG3 PRO 113 2HG PRO 113 -7.362 0.156 9.478 873 HD2 PRO 113 1HD PRO 113 -8.294 2.513 8.524 874 HD3 PRO 113 2HD PRO 113 -6.575 2.234 8.868 875 H TYR 114 H TYR 114 -6.823 -0.600 4.052 876 HA TYR 114 HA TYR 114 -9.588 -0.078 3.284 877 HB2 TYR 114 1HB TYR 114 -7.155 -1.068 1.835 878 HB3 TYR 114 2HB TYR 114 -8.755 -1.342 1.156 879 HD1 TYR 114 1HD TYR 114 -10.263 0.978 1.418 880 HD2 TYR 114 2HD TYR 114 -6.051 0.707 0.880 881 HE1 TYR 114 1HE TYR 114 -10.246 3.242 0.457 882 HE2 TYR 114 2HE TYR 114 -6.022 2.971 -0.081 883 HH TYR 114 HH TYR 114 -9.018 4.846 -0.454 884 H ILE 115 H ILE 115 -11.141 -1.490 3.692 885 HA ILE 115 HA ILE 115 -10.405 -4.292 4.208 886 HB ILE 115 HB ILE 115 -12.940 -2.870 5.025 887 HG12 ILE 115 1HG1 ILE 115 -10.930 -1.960 6.158 888 HG13 ILE 115 2HG1 ILE 115 -12.011 -2.791 7.271 889 HG21 ILE 115 1HG2 ILE 115 -13.258 -4.825 6.482 890 HG22 ILE 115 2HG2 ILE 115 -13.227 -5.263 4.775 891 HG23 ILE 115 3HG2 ILE 115 -11.815 -5.561 5.787 892 HD11 ILE 115 1HD1 ILE 115 -9.954 -4.520 6.147 893 HD12 ILE 115 2HD1 ILE 115 -9.317 -3.170 7.087 894 HD13 ILE 115 3HD1 ILE 115 -10.463 -4.292 7.820 895 H LEU 116 H LEU 116 -10.560 -5.336 2.300 896 HA LEU 116 HA LEU 116 -13.157 -5.217 0.923 897 HB2 LEU 116 1HB LEU 116 -10.435 -5.410 -0.357 898 HB3 LEU 116 2HB LEU 116 -11.969 -5.557 -1.212 899 HG LEU 116 HG LEU 116 -12.371 -3.155 -0.186 900 HD11 LEU 116 1HD1 LEU 116 -10.169 -1.910 -0.309 901 HD12 LEU 116 2HD1 LEU 116 -9.385 -3.484 -0.173 902 HD13 LEU 116 3HD1 LEU 116 -10.431 -2.905 1.123 903 HD21 LEU 116 1HD2 LEU 116 -10.496 -2.956 -2.418 904 HD22 LEU 116 2HD2 LEU 116 -12.192 -2.482 -2.312 905 HD23 LEU 116 3HD2 LEU 116 -11.764 -4.159 -2.657 906 H LYS 117 H LYS 117 -14.121 -7.111 1.205 907 HA LYS 117 HA LYS 117 -12.470 -9.550 1.218 908 HB2 LYS 117 1HB LYS 117 -14.403 -10.596 2.410 909 HB3 LYS 117 2HB LYS 117 -13.628 -9.295 3.305 910 HG2 LYS 117 1HG LYS 117 -15.957 -8.604 1.604 911 HG3 LYS 117 2HG LYS 117 -16.255 -9.492 3.100 912 HD2 LYS 117 1HD LYS 117 -15.489 -7.766 4.430 913 HD3 LYS 117 2HD LYS 117 -14.491 -7.080 3.145 914 HE2 LYS 117 1HE LYS 117 -16.470 -6.288 1.993 915 HE3 LYS 117 2HE LYS 117 -17.508 -7.053 3.196 916 HZ1 LYS 117 1HZ LYS 117 -15.542 -5.222 4.268 917 HZ2 LYS 117 2HZ LYS 117 -17.180 -5.398 4.650 918 HZ3 LYS 117 3HZ LYS 117 -16.720 -4.498 3.293 919 H GLY 118 H GLY 118 -13.673 -11.531 0.409 920 HA2 GLY 118 1HA GLY 118 -15.821 -11.244 -1.421 921 HA3 GLY 118 2HA GLY 118 -14.290 -11.251 -2.285 922 H SER 119 H SER 119 -15.234 -13.063 0.612 923 HA SER 119 HA SER 119 -14.015 -15.433 -0.043 924 HB2 SER 119 1HB SER 119 -15.696 -16.520 1.485 925 HB3 SER 119 2HB SER 119 -14.896 -15.106 2.171 926 HG SER 119 HG SER 119 -16.746 -13.888 1.642 927 H GLY 120 H GLY 120 -14.206 -16.236 -2.074 928 HA2 GLY 120 1HA GLY 120 -15.256 -17.793 -3.500 929 HA3 GLY 120 2HA GLY 120 -16.803 -17.379 -2.776 930 HA PRO 121 HA PRO 121 -16.078 -15.211 -6.940 931 HB2 PRO 121 1HB PRO 121 -17.823 -16.665 -8.428 932 HB3 PRO 121 2HB PRO 121 -16.116 -17.093 -8.258 933 HG2 PRO 121 1HG PRO 121 -18.499 -18.206 -6.828 934 HG3 PRO 121 2HG PRO 121 -17.104 -19.061 -7.511 935 HD2 PRO 121 1HD PRO 121 -17.329 -18.518 -4.868 936 HD3 PRO 121 2HD PRO 121 -15.762 -18.578 -5.700 937 H SER 122 H SER 122 -18.417 -15.747 -4.651 938 HA SER 122 HA SER 122 -20.854 -15.045 -5.487 939 HB2 SER 122 1HB SER 122 -19.326 -13.966 -3.122 940 HB3 SER 122 2HB SER 122 -21.020 -13.561 -3.398 941 HG SER 122 HG SER 122 -21.588 -15.627 -3.056 942 H SER 123 H SER 123 -18.245 -12.680 -4.974 943 HA SER 123 HA SER 123 -19.558 -10.361 -5.643 944 HB2 SER 123 1HB SER 123 -16.713 -11.250 -5.980 945 HB3 SER 123 2HB SER 123 -17.220 -9.686 -6.616 946 HG SER 123 HG SER 123 -17.478 -10.570 -3.930 947 H GLY 124 H GLY 124 -20.401 -9.500 -7.438 948 HA2 GLY 124 1HA GLY 124 -19.577 -9.549 -10.009 949 HA3 GLY 124 2HA GLY 124 -20.421 -11.083 -9.859 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -7.295 12.494 10.641 2 HA2 GLY 1 1HA GLY 1 -7.349 13.769 13.136 3 HA3 GLY 1 2HA GLY 1 -7.231 12.038 13.418 4 H SER 2 H SER 2 -5.619 14.869 12.191 5 HA SER 2 HA SER 2 -3.079 13.399 12.304 6 HB2 SER 2 1HB SER 2 -3.677 13.585 9.938 7 HB3 SER 2 2HB SER 2 -3.889 15.327 10.113 8 HG SER 2 HG SER 2 -1.689 15.513 10.544 9 H SER 3 H SER 3 -1.379 14.509 13.163 10 HA SER 3 HA SER 3 -1.355 17.346 13.474 11 HB2 SER 3 1HB SER 3 -1.426 17.351 15.967 12 HB3 SER 3 2HB SER 3 -2.962 16.890 15.233 13 HG SER 3 HG SER 3 -1.871 14.638 15.510 14 H GLY 4 H GLY 4 0.721 17.643 12.981 15 HA2 GLY 4 1HA GLY 4 2.786 16.810 14.737 16 HA3 GLY 4 2HA GLY 4 2.793 15.814 13.289 17 H SER 5 H SER 5 3.490 18.915 14.637 18 HA SER 5 HA SER 5 3.823 20.452 12.337 19 HB2 SER 5 1HB SER 5 3.896 21.350 14.650 20 HB3 SER 5 2HB SER 5 5.472 20.591 14.873 21 HG SER 5 HG SER 5 4.813 22.597 12.975 22 H SER 6 H SER 6 5.670 20.994 11.108 23 HA SER 6 HA SER 6 7.368 18.743 10.546 24 HB2 SER 6 1HB SER 6 6.371 20.488 8.884 25 HB3 SER 6 2HB SER 6 7.762 21.469 9.346 26 HG SER 6 HG SER 6 7.673 19.466 7.609 27 H GLY 7 H GLY 7 9.610 18.626 10.737 28 HA2 GLY 7 1HA GLY 7 10.709 19.881 13.037 29 HA3 GLY 7 2HA GLY 7 11.582 18.871 11.894 30 H GLU 8 H GLU 8 11.612 20.159 9.596 31 HA GLU 8 HA GLU 8 13.013 22.654 10.243 32 HB2 GLU 8 1HB GLU 8 13.141 20.937 7.757 33 HB3 GLU 8 2HB GLU 8 14.081 22.397 8.034 34 HG2 GLU 8 1HG GLU 8 15.423 21.394 9.621 35 HG3 GLU 8 2HG GLU 8 14.246 20.128 9.965 36 H THR 9 H THR 9 12.904 24.364 8.500 37 HA THR 9 HA THR 9 10.100 24.682 7.672 38 HB THR 9 HB THR 9 10.981 26.397 9.236 39 HG1 THR 9 1HG THR 9 10.608 27.720 6.782 40 HG21 THR 9 1HG2 THR 9 12.581 27.696 7.127 41 HG22 THR 9 2HG2 THR 9 13.294 26.251 7.842 42 HG23 THR 9 3HG2 THR 9 12.850 27.615 8.868 43 H GLY 10 H GLY 10 9.614 24.662 5.575 44 HA2 GLY 10 1HA GLY 10 11.730 25.341 3.637 45 HA3 GLY 10 2HA GLY 10 10.781 23.875 3.440 46 H GLY 11 H GLY 11 11.117 26.804 2.191 47 HA2 GLY 11 1HA GLY 11 8.509 27.893 2.165 48 HA3 GLY 11 2HA GLY 11 9.777 28.237 0.998 49 H GLU 12 H GLU 12 10.117 25.557 0.066 50 HA GLU 12 HA GLU 12 8.384 25.473 -2.067 51 HB2 GLU 12 1HB GLU 12 9.146 23.237 -2.480 52 HB3 GLU 12 2HB GLU 12 10.496 24.159 -1.833 53 HG2 GLU 12 1HG GLU 12 9.979 23.185 0.409 54 HG3 GLU 12 2HG GLU 12 8.802 22.141 -0.386 55 H ARG 13 H ARG 13 6.791 23.699 -2.580 56 HA ARG 13 HA ARG 13 4.528 23.906 -1.023 57 HB2 ARG 13 1HB ARG 13 5.281 21.601 -2.830 58 HB3 ARG 13 2HB ARG 13 3.656 21.975 -2.271 59 HG2 ARG 13 1HG ARG 13 3.472 23.832 -3.628 60 HG3 ARG 13 2HG ARG 13 5.220 24.024 -3.776 61 HD2 ARG 13 1HD ARG 13 5.401 22.305 -5.333 62 HD3 ARG 13 2HD ARG 13 3.852 21.598 -4.874 63 HE ARG 13 HE ARG 13 2.786 23.068 -6.290 64 HH11 ARG 13 1HH1 ARG 13 6.123 23.989 -5.920 65 HH12 ARG 13 2HH1 ARG 13 6.079 25.152 -7.203 66 HH21 ARG 13 1HH2 ARG 13 2.716 24.596 -7.981 67 HH22 ARG 13 2HH2 ARG 13 4.141 25.498 -8.374 68 H GLN 14 H GLN 14 3.355 21.857 -0.114 69 HA GLN 14 HA GLN 14 5.226 20.406 1.637 70 HB2 GLN 14 1HB GLN 14 2.502 21.453 2.424 71 HB3 GLN 14 2HB GLN 14 3.618 20.574 3.460 72 HG2 GLN 14 1HG GLN 14 5.223 22.571 2.791 73 HG3 GLN 14 2HG GLN 14 3.682 23.393 2.557 74 HE21 GLN 14 1HE2 GLN 14 6.015 23.265 4.647 75 HE22 GLN 14 2HE2 GLN 14 5.163 23.333 6.148 76 H LEU 15 H LEU 15 5.199 18.370 0.926 77 HA LEU 15 HA LEU 15 3.367 17.064 -0.598 78 HB2 LEU 15 1HB LEU 15 5.428 16.007 -0.156 79 HB3 LEU 15 2HB LEU 15 5.152 16.027 1.584 80 HG LEU 15 HG LEU 15 3.525 14.278 1.412 81 HD11 LEU 15 1HD1 LEU 15 3.390 15.141 -1.333 82 HD12 LEU 15 2HD1 LEU 15 2.261 14.152 -0.408 83 HD13 LEU 15 3HD1 LEU 15 3.627 13.397 -1.230 84 HD21 LEU 15 1HD2 LEU 15 5.497 13.169 1.587 85 HD22 LEU 15 2HD2 LEU 15 6.177 13.918 0.143 86 HD23 LEU 15 3HD2 LEU 15 5.022 12.593 -0.011 87 H SER 16 H SER 16 1.319 16.469 -0.382 88 HA SER 16 HA SER 16 0.203 16.257 2.337 89 HB2 SER 16 1HB SER 16 -0.646 18.116 0.790 90 HB3 SER 16 2HB SER 16 -1.406 16.832 -0.149 91 HG SER 16 HG SER 16 -1.839 16.827 2.601 92 HA PRO 17 HA PRO 17 -0.142 11.959 1.023 93 HB2 PRO 17 1HB PRO 17 -0.691 11.016 3.509 94 HB3 PRO 17 2HB PRO 17 0.948 11.396 2.966 95 HG2 PRO 17 1HG PRO 17 -0.919 13.031 4.641 96 HG3 PRO 17 2HG PRO 17 0.820 12.754 4.850 97 HD2 PRO 17 1HD PRO 17 -0.173 15.020 3.749 98 HD3 PRO 17 2HD PRO 17 1.388 14.327 3.264 99 H GLU 18 H GLU 18 -2.397 13.716 3.118 100 HA GLU 18 HA GLU 18 -4.565 11.936 2.866 101 HB2 GLU 18 1HB GLU 18 -5.951 13.878 3.591 102 HB3 GLU 18 2HB GLU 18 -4.564 13.572 4.627 103 HG2 GLU 18 1HG GLU 18 -3.361 15.352 3.257 104 HG3 GLU 18 2HG GLU 18 -4.955 15.776 2.635 105 H LYS 19 H LYS 19 -3.611 14.783 0.996 106 HA LYS 19 HA LYS 19 -5.892 14.804 -0.690 107 HB2 LYS 19 1HB LYS 19 -3.193 16.086 -0.747 108 HB3 LYS 19 2HB LYS 19 -4.170 16.108 -2.210 109 HG2 LYS 19 1HG LYS 19 -5.213 17.070 0.435 110 HG3 LYS 19 2HG LYS 19 -4.347 18.120 -0.689 111 HD2 LYS 19 1HD LYS 19 -6.024 17.524 -2.433 112 HD3 LYS 19 2HD LYS 19 -6.924 16.637 -1.200 113 HE2 LYS 19 1HE LYS 19 -7.613 18.540 -0.140 114 HE3 LYS 19 2HE LYS 19 -6.189 19.458 -0.628 115 HZ1 LYS 19 1HZ LYS 19 -7.153 20.108 -2.534 116 HZ2 LYS 19 2HZ LYS 19 -8.595 19.785 -1.711 117 HZ3 LYS 19 3HZ LYS 19 -7.956 18.639 -2.779 118 H SER 20 H SER 20 -2.645 13.426 -1.020 119 HA SER 20 HA SER 20 -2.450 12.612 -3.551 120 HB2 SER 20 1HB SER 20 -1.938 10.966 -1.072 121 HB3 SER 20 2HB SER 20 -1.476 10.424 -2.685 122 HG SER 20 HG SER 20 -0.577 12.732 -1.306 123 H GLU 21 H GLU 21 -3.187 10.957 -4.892 124 HA GLU 21 HA GLU 21 -5.674 9.648 -4.003 125 HB2 GLU 21 1HB GLU 21 -4.990 10.540 -6.809 126 HB3 GLU 21 2HB GLU 21 -6.497 9.799 -6.289 127 HG2 GLU 21 1HG GLU 21 -5.603 12.326 -4.994 128 HG3 GLU 21 2HG GLU 21 -6.310 12.385 -6.608 129 H ILE 22 H ILE 22 -5.524 7.518 -3.878 130 HA ILE 22 HA ILE 22 -3.470 6.148 -5.476 131 HB ILE 22 HB ILE 22 -4.879 5.188 -2.982 132 HG12 ILE 22 1HG1 ILE 22 -2.014 6.088 -3.346 133 HG13 ILE 22 2HG1 ILE 22 -3.283 7.079 -2.636 134 HG21 ILE 22 1HG2 ILE 22 -4.243 3.170 -3.685 135 HG22 ILE 22 2HG2 ILE 22 -3.251 3.846 -4.976 136 HG23 ILE 22 3HG2 ILE 22 -2.592 3.687 -3.348 137 HD11 ILE 22 1HD1 ILE 22 -3.495 4.897 -1.095 138 HD12 ILE 22 2HD1 ILE 22 -1.780 4.822 -1.499 139 HD13 ILE 22 3HD1 ILE 22 -2.441 6.260 -0.722 140 H TRP 23 H TRP 23 -4.116 4.967 -7.140 141 HA TRP 23 HA TRP 23 -6.848 3.862 -7.107 142 HB2 TRP 23 1HB TRP 23 -7.058 4.269 -9.457 143 HB3 TRP 23 2HB TRP 23 -6.510 5.770 -8.716 144 HD1 TRP 23 HD TRP 23 -5.277 2.929 -10.980 145 HE1 TRP 23 1HE TRP 23 -3.168 3.729 -12.220 146 HE3 TRP 23 3HE TRP 23 -4.572 7.390 -8.585 147 HZ2 TRP 23 2HZ TRP 23 -1.435 5.957 -12.186 148 HZ3 TRP 23 3HZ TRP 23 -2.665 8.796 -9.248 149 HH2 TRP 23 HH TRP 23 -1.129 8.092 -11.011 150 H GLY 24 H GLY 24 -7.120 1.952 -8.557 151 HA2 GLY 24 1HA GLY 24 -5.318 0.394 -9.778 152 HA3 GLY 24 2HA GLY 24 -4.921 0.111 -8.090 153 HA PRO 25 HA PRO 25 -8.638 -2.468 -9.684 154 HB2 PRO 25 1HB PRO 25 -7.359 -4.760 -10.379 155 HB3 PRO 25 2HB PRO 25 -7.679 -3.452 -11.525 156 HG2 PRO 25 1HG PRO 25 -5.162 -4.092 -10.035 157 HG3 PRO 25 2HG PRO 25 -5.368 -3.616 -11.731 158 HD2 PRO 25 1HD PRO 25 -4.585 -1.872 -9.813 159 HD3 PRO 25 2HD PRO 25 -5.563 -1.379 -11.210 160 H GLY 26 H GLY 26 -5.712 -3.307 -7.893 161 HA2 GLY 26 1HA GLY 26 -6.315 -5.506 -6.476 162 HA3 GLY 26 2HA GLY 26 -5.554 -4.112 -5.722 163 H LEU 27 H LEU 27 -7.888 -2.395 -6.083 164 HA LEU 27 HA LEU 27 -9.319 -3.218 -3.716 165 HB2 LEU 27 1HB LEU 27 -9.958 -0.837 -5.428 166 HB3 LEU 27 2HB LEU 27 -10.272 -1.067 -3.709 167 HG LEU 27 HG LEU 27 -7.531 -0.722 -4.921 168 HD11 LEU 27 1HD1 LEU 27 -8.604 1.346 -5.214 169 HD12 LEU 27 2HD1 LEU 27 -7.685 1.510 -3.718 170 HD13 LEU 27 3HD1 LEU 27 -9.426 1.235 -3.657 171 HD21 LEU 27 1HD2 LEU 27 -8.558 -1.275 -2.202 172 HD22 LEU 27 2HD2 LEU 27 -7.250 -0.100 -2.339 173 HD23 LEU 27 3HD2 LEU 27 -7.033 -1.738 -2.957 174 H LYS 28 H LYS 28 -10.062 -2.693 -7.139 175 HA LYS 28 HA LYS 28 -12.774 -3.004 -7.190 176 HB2 LYS 28 1HB LYS 28 -10.789 -4.198 -9.134 177 HB3 LYS 28 2HB LYS 28 -12.504 -3.971 -9.450 178 HG2 LYS 28 1HG LYS 28 -10.839 -1.627 -8.663 179 HG3 LYS 28 2HG LYS 28 -10.759 -2.243 -10.316 180 HD2 LYS 28 1HD LYS 28 -13.382 -1.630 -8.987 181 HD3 LYS 28 2HD LYS 28 -12.448 -0.380 -9.813 182 HE2 LYS 28 1HE LYS 28 -13.764 -1.074 -11.542 183 HE3 LYS 28 2HE LYS 28 -12.412 -2.188 -11.741 184 HZ1 LYS 28 1HZ LYS 28 -14.329 -3.231 -9.924 185 HZ2 LYS 28 2HZ LYS 28 -13.741 -3.904 -11.360 186 HZ3 LYS 28 3HZ LYS 28 -15.062 -2.847 -11.400 187 H ALA 29 H ALA 29 -14.045 -4.940 -7.941 188 HA ALA 29 HA ALA 29 -13.836 -7.010 -6.028 189 HB1 ALA 29 1HB ALA 29 -15.993 -6.974 -6.619 190 HB2 ALA 29 2HB ALA 29 -15.643 -6.292 -8.208 191 HB3 ALA 29 3HB ALA 29 -15.501 -8.030 -7.943 192 H ASP 30 H ASP 30 -13.839 -7.461 -9.561 193 HA ASP 30 HA ASP 30 -12.475 -9.952 -9.379 194 HB2 ASP 30 1HB ASP 30 -12.635 -8.332 -11.904 195 HB3 ASP 30 2HB ASP 30 -12.690 -10.081 -11.706 196 H VAL 31 H VAL 31 -10.579 -9.408 -8.186 197 HA VAL 31 HA VAL 31 -8.629 -7.659 -9.457 198 HB VAL 31 HB VAL 31 -7.275 -7.963 -7.483 199 HG11 VAL 31 1HG1 VAL 31 -10.076 -7.147 -7.326 200 HG12 VAL 31 2HG1 VAL 31 -9.364 -7.554 -5.764 201 HG13 VAL 31 3HG1 VAL 31 -8.620 -6.318 -6.778 202 HG21 VAL 31 1HG2 VAL 31 -8.278 -9.390 -5.596 203 HG22 VAL 31 2HG2 VAL 31 -9.226 -10.158 -6.869 204 HG23 VAL 31 3HG2 VAL 31 -7.465 -10.223 -6.921 205 H VAL 32 H VAL 32 -6.246 -8.658 -9.094 206 HA VAL 32 HA VAL 32 -6.008 -10.694 -11.055 207 HB VAL 32 HB VAL 32 -3.574 -10.701 -10.378 208 HG11 VAL 32 1HG1 VAL 32 -4.367 -7.874 -10.846 209 HG12 VAL 32 2HG1 VAL 32 -3.151 -8.858 -11.662 210 HG13 VAL 32 3HG1 VAL 32 -4.862 -9.087 -12.026 211 HG21 VAL 32 1HG2 VAL 32 -4.688 -9.227 -8.157 212 HG22 VAL 32 2HG2 VAL 32 -3.082 -9.930 -8.347 213 HG23 VAL 32 3HG2 VAL 32 -3.414 -8.311 -8.962 214 H LEU 33 H LEU 33 -4.734 -12.716 -10.699 215 HA LEU 33 HA LEU 33 -5.949 -14.237 -8.586 216 HB2 LEU 33 1HB LEU 33 -4.339 -14.787 -10.989 217 HB3 LEU 33 2HB LEU 33 -4.137 -15.931 -9.664 218 HG LEU 33 HG LEU 33 -6.806 -15.228 -10.876 219 HD11 LEU 33 1HD1 LEU 33 -4.851 -17.404 -11.553 220 HD12 LEU 33 2HD1 LEU 33 -5.632 -16.251 -12.634 221 HD13 LEU 33 3HD1 LEU 33 -6.576 -17.543 -11.893 222 HD21 LEU 33 1HD2 LEU 33 -7.727 -16.742 -9.473 223 HD22 LEU 33 2HD2 LEU 33 -6.336 -16.322 -8.472 224 HD23 LEU 33 3HD2 LEU 33 -6.297 -17.775 -9.471 225 HA PRO 34 HA PRO 34 -1.416 -14.788 -7.065 226 HB2 PRO 34 1HB PRO 34 0.541 -13.429 -8.368 227 HB3 PRO 34 2HB PRO 34 0.008 -15.045 -8.850 228 HG2 PRO 34 1HG PRO 34 -0.740 -12.383 -9.997 229 HG3 PRO 34 2HG PRO 34 -0.342 -13.892 -10.839 230 HD2 PRO 34 1HD PRO 34 -2.891 -13.057 -10.474 231 HD3 PRO 34 2HD PRO 34 -2.446 -14.775 -10.516 232 H ALA 35 H ALA 35 -0.276 -11.774 -8.341 233 HA ALA 35 HA ALA 35 -1.121 -10.389 -5.881 234 HB1 ALA 35 1HB ALA 35 1.178 -10.904 -5.561 235 HB2 ALA 35 2HB ALA 35 1.593 -10.353 -7.185 236 HB3 ALA 35 3HB ALA 35 1.082 -9.189 -5.963 237 H ARG 36 H ARG 36 -1.144 -8.028 -6.061 238 HA ARG 36 HA ARG 36 -1.779 -7.171 -8.807 239 HB2 ARG 36 1HB ARG 36 -3.328 -5.552 -7.823 240 HB3 ARG 36 2HB ARG 36 -3.735 -7.192 -7.335 241 HG2 ARG 36 1HG ARG 36 -3.926 -6.168 -5.325 242 HG3 ARG 36 2HG ARG 36 -2.204 -6.550 -5.266 243 HD2 ARG 36 1HD ARG 36 -3.056 -3.970 -6.483 244 HD3 ARG 36 2HD ARG 36 -3.098 -4.128 -4.727 245 HE ARG 36 HE ARG 36 -0.767 -3.932 -6.395 246 HH11 ARG 36 1HH1 ARG 36 -2.017 -5.051 -3.345 247 HH12 ARG 36 2HH1 ARG 36 -0.479 -5.004 -2.549 248 HH21 ARG 36 1HH2 ARG 36 1.264 -3.866 -5.358 249 HH22 ARG 36 2HH2 ARG 36 1.386 -4.328 -3.695 250 H TYR 37 H TYR 37 -1.466 -4.817 -9.208 251 HA TYR 37 HA TYR 37 0.669 -3.622 -7.598 252 HB2 TYR 37 1HB TYR 37 2.169 -3.382 -9.334 253 HB3 TYR 37 2HB TYR 37 1.454 -4.938 -9.741 254 HD1 TYR 37 1HD TYR 37 1.657 -1.390 -10.644 255 HD2 TYR 37 2HD TYR 37 -0.006 -5.173 -11.660 256 HE1 TYR 37 1HE TYR 37 1.023 -0.512 -12.853 257 HE2 TYR 37 2HE TYR 37 -0.643 -4.306 -13.871 258 HH TYR 37 HH TYR 37 -1.158 -1.914 -14.831 259 H PHE 38 H PHE 38 0.398 -1.504 -7.270 260 HA PHE 38 HA PHE 38 -1.326 0.010 -9.100 261 HB2 PHE 38 1HB PHE 38 -2.459 1.078 -7.195 262 HB3 PHE 38 2HB PHE 38 -2.729 -0.662 -7.209 263 HD1 PHE 38 2HD PHE 38 -1.024 2.103 -5.513 264 HD2 PHE 38 1HD PHE 38 -1.850 -2.072 -5.482 265 HE1 PHE 38 2HE PHE 38 -0.206 1.962 -3.197 266 HE2 PHE 38 1HE PHE 38 -1.034 -2.220 -3.166 267 HZ PHE 38 HZ PHE 38 -0.209 -0.201 -2.021 268 H TYR 39 H TYR 39 -1.106 2.368 -8.837 269 HA TYR 39 HA TYR 39 1.665 3.048 -8.142 270 HB2 TYR 39 1HB TYR 39 -0.312 4.494 -9.918 271 HB3 TYR 39 2HB TYR 39 1.337 5.020 -9.600 272 HD1 TYR 39 2HD TYR 39 3.212 3.306 -10.200 273 HD2 TYR 39 1HD TYR 39 -0.745 3.144 -11.755 274 HE1 TYR 39 2HE TYR 39 4.014 1.943 -12.084 275 HE2 TYR 39 1HE TYR 39 0.046 1.780 -13.642 276 HH TYR 39 HH TYR 39 3.436 1.243 -14.228 277 H ILE 40 H ILE 40 2.071 5.164 -7.179 278 HA ILE 40 HA ILE 40 -0.163 6.105 -5.504 279 HB ILE 40 HB ILE 40 2.687 5.576 -4.694 280 HG12 ILE 40 1HG1 ILE 40 0.142 4.835 -3.260 281 HG13 ILE 40 2HG1 ILE 40 0.816 3.824 -4.533 282 HG21 ILE 40 1HG2 ILE 40 2.601 7.487 -3.530 283 HG22 ILE 40 2HG2 ILE 40 0.856 7.642 -3.730 284 HG23 ILE 40 3HG2 ILE 40 1.509 6.608 -2.459 285 HD11 ILE 40 1HD1 ILE 40 2.858 4.481 -2.643 286 HD12 ILE 40 2HD1 ILE 40 1.453 3.814 -1.810 287 HD13 ILE 40 3HD1 ILE 40 2.225 2.901 -3.107 288 H GLN 41 H GLN 41 -0.665 8.008 -6.423 289 HA GLN 41 HA GLN 41 1.435 9.792 -7.354 290 HB2 GLN 41 1HB GLN 41 -0.510 9.540 -8.776 291 HB3 GLN 41 2HB GLN 41 -1.577 10.004 -7.457 292 HG2 GLN 41 1HG GLN 41 -1.417 11.902 -8.807 293 HG3 GLN 41 2HG GLN 41 -0.350 12.223 -7.441 294 HE21 GLN 41 1HE2 GLN 41 1.401 13.245 -8.064 295 HE22 GLN 41 2HE2 GLN 41 2.290 12.961 -9.517 296 H ALA 42 H ALA 42 2.168 11.510 -6.272 297 HA ALA 42 HA ALA 42 1.077 12.048 -3.628 298 HB1 ALA 42 1HB ALA 42 3.641 11.977 -4.612 299 HB2 ALA 42 2HB ALA 42 3.318 13.706 -4.473 300 HB3 ALA 42 3HB ALA 42 3.149 12.660 -3.063 301 H VAL 43 H VAL 43 0.220 13.987 -2.962 302 HA VAL 43 HA VAL 43 -0.122 16.091 -4.985 303 HB VAL 43 HB VAL 43 -2.318 14.891 -3.296 304 HG11 VAL 43 1HG1 VAL 43 -2.738 17.187 -3.156 305 HG12 VAL 43 2HG1 VAL 43 -2.203 17.478 -4.813 306 HG13 VAL 43 3HG1 VAL 43 -3.730 16.648 -4.510 307 HG21 VAL 43 1HG2 VAL 43 -1.867 13.678 -5.348 308 HG22 VAL 43 2HG2 VAL 43 -3.406 14.531 -5.476 309 HG23 VAL 43 3HG2 VAL 43 -1.973 15.172 -6.281 310 H ASP 44 H ASP 44 -0.224 18.178 -4.199 311 HA ASP 44 HA ASP 44 0.984 18.618 -1.647 312 HB2 ASP 44 1HB ASP 44 1.263 20.026 -3.775 313 HB3 ASP 44 2HB ASP 44 -0.290 20.745 -3.359 314 H THR 45 H THR 45 0.000 20.442 -0.226 315 HA THR 45 HA THR 45 -2.350 19.424 0.946 316 HB THR 45 HB THR 45 -2.306 21.381 2.400 317 HG1 THR 45 1HG THR 45 -0.138 22.384 0.867 318 HG21 THR 45 1HG2 THR 45 0.002 19.686 1.899 319 HG22 THR 45 2HG2 THR 45 -0.734 20.165 3.428 320 HG23 THR 45 3HG2 THR 45 0.447 21.217 2.651 321 H SER 46 H SER 46 -1.880 21.526 -1.695 322 HA SER 46 HA SER 46 -4.551 22.693 -1.463 323 HB2 SER 46 1HB SER 46 -2.113 23.316 -3.072 324 HB3 SER 46 2HB SER 46 -3.683 23.792 -3.718 325 HG SER 46 HG SER 46 -3.380 25.466 -2.470 326 H GLY 47 H GLY 47 -2.612 20.809 -3.780 327 HA2 GLY 47 1HA GLY 47 -4.060 18.818 -4.573 328 HA3 GLY 47 2HA GLY 47 -5.093 20.098 -5.191 329 H ASN 48 H ASN 48 -1.585 20.232 -5.170 330 HA ASN 48 HA ASN 48 -1.648 20.188 -8.113 331 HB2 ASN 48 1HB ASN 48 0.668 21.367 -7.740 332 HB3 ASN 48 2HB ASN 48 -0.825 22.290 -7.597 333 HD21 ASN 48 1HD2 ASN 48 -1.653 22.697 -5.470 334 HD22 ASN 48 2HD2 ASN 48 -0.570 22.783 -4.127 335 H LYS 49 H LYS 49 -1.123 18.198 -8.773 336 HA LYS 49 HA LYS 49 0.243 16.222 -7.485 337 HB2 LYS 49 1HB LYS 49 0.230 16.867 -10.436 338 HB3 LYS 49 2HB LYS 49 0.864 15.368 -9.771 339 HG2 LYS 49 1HG LYS 49 -1.234 14.680 -10.289 340 HG3 LYS 49 2HG LYS 49 -1.534 15.276 -8.655 341 HD2 LYS 49 1HD LYS 49 -2.624 17.164 -9.401 342 HD3 LYS 49 2HD LYS 49 -1.795 17.155 -10.959 343 HE2 LYS 49 1HE LYS 49 -3.227 15.607 -11.864 344 HE3 LYS 49 2HE LYS 49 -3.618 14.895 -10.300 345 HZ1 LYS 49 1HZ LYS 49 -4.596 17.486 -11.368 346 HZ2 LYS 49 2HZ LYS 49 -4.875 16.944 -9.790 347 HZ3 LYS 49 3HZ LYS 49 -5.509 16.086 -11.103 348 H PHE 50 H PHE 50 2.294 15.774 -6.947 349 HA PHE 50 HA PHE 50 4.281 17.777 -7.082 350 HB2 PHE 50 1HB PHE 50 4.140 14.968 -6.123 351 HB3 PHE 50 2HB PHE 50 5.742 15.619 -6.451 352 HD1 PHE 50 1HD PHE 50 2.594 16.748 -4.787 353 HD2 PHE 50 2HD PHE 50 6.841 16.504 -4.653 354 HE1 PHE 50 1HE PHE 50 2.585 17.859 -2.592 355 HE2 PHE 50 2HE PHE 50 6.839 17.614 -2.457 356 HZ PHE 50 HZ PHE 50 4.709 18.292 -1.423 357 H THR 51 H THR 51 3.638 14.907 -9.006 358 HA THR 51 HA THR 51 4.700 14.014 -10.835 359 HB THR 51 HB THR 51 4.968 15.582 -12.689 360 HG1 THR 51 1HG THR 51 5.465 17.592 -12.285 361 HG21 THR 51 1HG2 THR 51 2.690 16.663 -12.580 362 HG22 THR 51 2HG2 THR 51 2.564 16.051 -10.931 363 HG23 THR 51 3HG2 THR 51 2.716 14.926 -12.280 364 H SER 52 H SER 52 6.469 14.782 -8.564 365 HA SER 52 HA SER 52 8.980 14.908 -10.093 366 HB2 SER 52 1HB SER 52 8.237 16.448 -7.610 367 HB3 SER 52 2HB SER 52 9.919 16.156 -8.052 368 HG SER 52 HG SER 52 7.991 17.400 -9.725 369 H SER 53 H SER 53 10.875 14.258 -8.573 370 HA SER 53 HA SER 53 10.122 11.698 -7.389 371 HB2 SER 53 1HB SER 53 11.971 11.860 -9.090 372 HB3 SER 53 2HB SER 53 12.905 12.768 -7.901 373 HG SER 53 HG SER 53 13.513 10.864 -7.255 374 HA PRO 54 HA PRO 54 10.407 13.718 -3.392 375 HB2 PRO 54 1HB PRO 54 9.488 11.585 -1.988 376 HB3 PRO 54 2HB PRO 54 8.423 12.681 -2.875 377 HG2 PRO 54 1HG PRO 54 9.468 9.993 -3.677 378 HG3 PRO 54 2HG PRO 54 7.835 10.658 -3.860 379 HD2 PRO 54 1HD PRO 54 9.611 10.577 -5.902 380 HD3 PRO 54 2HD PRO 54 8.400 11.865 -5.740 381 H GLY 55 H GLY 55 11.398 10.316 -3.849 382 HA2 GLY 55 1HA GLY 55 14.076 10.717 -3.138 383 HA3 GLY 55 2HA GLY 55 13.203 10.247 -1.687 384 H GLU 56 H GLU 56 13.437 8.165 -1.259 385 HA GLU 56 HA GLU 56 13.476 6.272 -3.518 386 HB2 GLU 56 1HB GLU 56 15.657 6.589 -2.225 387 HB3 GLU 56 2HB GLU 56 14.848 5.804 -0.876 388 HG2 GLU 56 1HG GLU 56 14.662 3.771 -2.025 389 HG3 GLU 56 2HG GLU 56 15.021 4.520 -3.579 390 H LYS 57 H LYS 57 12.930 6.366 0.007 391 HA LYS 57 HA LYS 57 10.560 4.670 -0.411 392 HB2 LYS 57 1HB LYS 57 12.685 4.424 1.716 393 HB3 LYS 57 2HB LYS 57 11.103 3.671 1.864 394 HG2 LYS 57 1HG LYS 57 12.873 3.168 -0.504 395 HG3 LYS 57 2HG LYS 57 13.023 2.242 0.992 396 HD2 LYS 57 1HD LYS 57 10.393 2.542 -0.430 397 HD3 LYS 57 2HD LYS 57 11.544 1.275 -0.860 398 HE2 LYS 57 1HE LYS 57 10.631 1.681 1.971 399 HE3 LYS 57 2HE LYS 57 9.700 0.709 0.832 400 HZ1 LYS 57 1HZ LYS 57 11.189 -0.949 0.900 401 HZ2 LYS 57 2HZ LYS 57 11.651 -0.258 2.374 402 HZ3 LYS 57 3HZ LYS 57 12.525 0.086 0.967 403 H VAL 58 H VAL 58 9.326 6.625 -0.380 404 HA VAL 58 HA VAL 58 9.175 7.947 2.245 405 HB VAL 58 HB VAL 58 8.014 9.779 1.114 406 HG11 VAL 58 1HG1 VAL 58 9.910 10.571 -0.293 407 HG12 VAL 58 2HG1 VAL 58 10.398 9.968 1.292 408 HG13 VAL 58 3HG1 VAL 58 10.631 8.969 -0.143 409 HG21 VAL 58 1HG2 VAL 58 8.496 8.219 -1.423 410 HG22 VAL 58 2HG2 VAL 58 6.930 8.456 -0.647 411 HG23 VAL 58 3HG2 VAL 58 7.804 9.837 -1.311 412 H PHE 59 H PHE 59 7.506 5.884 0.078 413 HA PHE 59 HA PHE 59 5.062 6.134 1.707 414 HB2 PHE 59 1HB PHE 59 5.365 5.492 -1.228 415 HB3 PHE 59 2HB PHE 59 3.871 5.220 -0.337 416 HD1 PHE 59 1HD PHE 59 3.433 7.488 1.266 417 HD2 PHE 59 2HD PHE 59 5.199 7.312 -2.603 418 HE1 PHE 59 1HE PHE 59 2.765 9.820 0.859 419 HE2 PHE 59 2HE PHE 59 4.535 9.644 -3.016 420 HZ PHE 59 HZ PHE 59 3.317 10.902 -1.284 421 H GLN 60 H GLN 60 4.647 4.423 2.925 422 HA GLN 60 HA GLN 60 5.792 1.827 2.141 423 HB2 GLN 60 1HB GLN 60 6.695 2.612 4.241 424 HB3 GLN 60 2HB GLN 60 5.079 2.907 4.871 425 HG2 GLN 60 1HG GLN 60 4.644 0.665 5.184 426 HG3 GLN 60 2HG GLN 60 5.856 0.160 4.008 427 HE21 GLN 60 1HE2 GLN 60 5.158 0.413 7.229 428 HE22 GLN 60 2HE2 GLN 60 6.757 0.298 7.872 429 H VAL 61 H VAL 61 4.539 -0.062 2.397 430 HA VAL 61 HA VAL 61 1.660 0.348 2.816 431 HB VAL 61 HB VAL 61 2.865 -1.212 0.525 432 HG11 VAL 61 1HG1 VAL 61 0.709 -1.882 -0.089 433 HG12 VAL 61 2HG1 VAL 61 0.757 -2.128 1.657 434 HG13 VAL 61 3HG1 VAL 61 -0.059 -0.715 0.986 435 HG21 VAL 61 1HG2 VAL 61 2.415 1.493 0.689 436 HG22 VAL 61 2HG2 VAL 61 2.517 0.555 -0.801 437 HG23 VAL 61 3HG2 VAL 61 0.944 0.897 -0.080 438 H LYS 62 H LYS 62 0.777 -1.110 4.134 439 HA LYS 62 HA LYS 62 2.324 -3.541 4.741 440 HB2 LYS 62 1HB LYS 62 2.132 -2.079 6.664 441 HB3 LYS 62 2HB LYS 62 0.388 -1.982 6.460 442 HG2 LYS 62 1HG LYS 62 0.622 -3.496 8.187 443 HG3 LYS 62 2HG LYS 62 0.435 -4.542 6.777 444 HD2 LYS 62 1HD LYS 62 2.682 -5.132 6.760 445 HD3 LYS 62 2HD LYS 62 3.162 -3.714 7.696 446 HE2 LYS 62 1HE LYS 62 2.528 -4.655 9.697 447 HE3 LYS 62 2HE LYS 62 1.344 -5.722 8.942 448 HZ1 LYS 62 1HZ LYS 62 4.297 -6.023 8.897 449 HZ2 LYS 62 2HZ LYS 62 3.234 -6.983 7.998 450 HZ3 LYS 62 3HZ LYS 62 3.183 -7.021 9.689 451 H VAL 63 H VAL 63 1.239 -5.518 4.975 452 HA VAL 63 HA VAL 63 -1.530 -5.573 3.972 453 HB VAL 63 HB VAL 63 0.706 -7.456 3.208 454 HG11 VAL 63 1HG1 VAL 63 -1.003 -8.943 3.180 455 HG12 VAL 63 2HG1 VAL 63 -2.238 -7.690 3.036 456 HG13 VAL 63 3HG1 VAL 63 -1.316 -8.189 1.617 457 HG21 VAL 63 1HG2 VAL 63 -0.965 -5.844 1.318 458 HG22 VAL 63 2HG2 VAL 63 0.438 -5.124 2.110 459 HG23 VAL 63 3HG2 VAL 63 0.638 -6.539 1.077 460 H SER 64 H SER 64 -2.878 -7.156 4.817 461 HA SER 64 HA SER 64 -1.874 -9.110 6.687 462 HB2 SER 64 1HB SER 64 -1.996 -7.072 8.087 463 HB3 SER 64 2HB SER 64 -3.704 -6.911 7.682 464 HG SER 64 HG SER 64 -4.173 -8.448 9.049 465 H ALA 65 H ALA 65 -3.536 -10.584 7.424 466 HA ALA 65 HA ALA 65 -5.642 -10.875 5.431 467 HB1 ALA 65 1HB ALA 65 -5.703 -13.116 5.953 468 HB2 ALA 65 2HB ALA 65 -4.015 -12.726 6.288 469 HB3 ALA 65 3HB ALA 65 -5.170 -12.854 7.614 470 HA PRO 66 HA PRO 66 -8.849 -9.383 8.058 471 HB2 PRO 66 1HB PRO 66 -10.962 -10.606 6.872 472 HB3 PRO 66 2HB PRO 66 -10.124 -9.225 6.154 473 HG2 PRO 66 1HG PRO 66 -9.826 -12.143 5.554 474 HG3 PRO 66 2HG PRO 66 -9.905 -10.773 4.432 475 HD2 PRO 66 1HD PRO 66 -7.569 -11.950 5.130 476 HD3 PRO 66 2HD PRO 66 -7.691 -10.220 4.752 477 H GLU 67 H GLU 67 -9.048 -12.849 7.233 478 HA GLU 67 HA GLU 67 -10.246 -13.393 9.842 479 HB2 GLU 67 1HB GLU 67 -11.184 -14.378 7.717 480 HB3 GLU 67 2HB GLU 67 -9.720 -15.344 7.599 481 HG2 GLU 67 1HG GLU 67 -11.356 -16.730 8.567 482 HG3 GLU 67 2HG GLU 67 -10.269 -16.260 9.874 483 H GLU 68 H GLU 68 -7.688 -14.886 7.847 484 HA GLU 68 HA GLU 68 -6.493 -16.440 9.762 485 HB2 GLU 68 1HB GLU 68 -5.417 -15.015 7.358 486 HB3 GLU 68 2HB GLU 68 -4.313 -15.871 8.425 487 HG2 GLU 68 1HG GLU 68 -5.416 -17.945 8.028 488 HG3 GLU 68 2HG GLU 68 -6.723 -17.144 7.157 489 H GLN 69 H GLN 69 -4.597 -16.172 11.071 490 HA GLN 69 HA GLN 69 -4.394 -13.457 12.170 491 HB2 GLN 69 1HB GLN 69 -3.865 -14.384 14.240 492 HB3 GLN 69 2HB GLN 69 -5.051 -15.512 13.596 493 HG2 GLN 69 1HG GLN 69 -2.119 -15.977 13.222 494 HG3 GLN 69 2HG GLN 69 -2.937 -16.443 14.713 495 HE21 GLN 69 1HE2 GLN 69 -4.153 -18.249 14.750 496 HE22 GLN 69 2HE2 GLN 69 -4.391 -19.294 13.395 497 H PHE 70 H PHE 70 -2.612 -15.959 10.587 498 HA PHE 70 HA PHE 70 -0.128 -14.412 10.926 499 HB2 PHE 70 1HB PHE 70 -0.462 -17.348 10.272 500 HB3 PHE 70 2HB PHE 70 1.077 -16.504 10.409 501 HD1 PHE 70 1HD PHE 70 0.968 -14.963 12.762 502 HD2 PHE 70 2HD PHE 70 -0.785 -18.772 12.031 503 HE1 PHE 70 1HE PHE 70 1.019 -15.446 15.174 504 HE2 PHE 70 2HE PHE 70 -0.738 -19.260 14.442 505 HZ PHE 70 HZ PHE 70 0.164 -17.596 16.017 506 H THR 71 H THR 71 0.740 -13.486 9.187 507 HA THR 71 HA THR 71 0.083 -14.510 6.523 508 HB THR 71 HB THR 71 -0.184 -11.595 7.282 509 HG1 THR 71 1HG THR 71 -2.110 -13.598 6.656 510 HG21 THR 71 1HG2 THR 71 0.592 -12.491 4.878 511 HG22 THR 71 2HG2 THR 71 -0.446 -11.080 5.082 512 HG23 THR 71 3HG2 THR 71 -1.153 -12.647 4.688 513 H ARG 72 H ARG 72 1.847 -14.682 5.307 514 HA ARG 72 HA ARG 72 4.217 -13.104 6.062 515 HB2 ARG 72 1HB ARG 72 4.597 -15.465 6.392 516 HB3 ARG 72 2HB ARG 72 4.014 -15.828 4.773 517 HG2 ARG 72 1HG ARG 72 5.919 -14.875 3.764 518 HG3 ARG 72 2HG ARG 72 6.424 -14.109 5.271 519 HD2 ARG 72 1HD ARG 72 6.284 -17.086 4.811 520 HD3 ARG 72 2HD ARG 72 7.753 -16.118 4.695 521 HE ARG 72 HE ARG 72 6.549 -15.702 7.205 522 HH11 ARG 72 1HH1 ARG 72 8.268 -18.135 5.403 523 HH12 ARG 72 2HH1 ARG 72 8.938 -18.891 6.811 524 HH21 ARG 72 1HH2 ARG 72 7.425 -16.689 9.066 525 HH22 ARG 72 2HH2 ARG 72 8.456 -18.068 8.894 526 H VAL 73 H VAL 73 4.068 -11.347 4.752 527 HA VAL 73 HA VAL 73 4.256 -11.859 1.867 528 HB VAL 73 HB VAL 73 2.420 -9.871 3.195 529 HG11 VAL 73 1HG1 VAL 73 2.049 -9.524 0.511 530 HG12 VAL 73 2HG1 VAL 73 2.987 -8.454 1.554 531 HG13 VAL 73 3HG1 VAL 73 3.799 -9.711 0.620 532 HG21 VAL 73 1HG2 VAL 73 0.732 -11.179 2.516 533 HG22 VAL 73 2HG2 VAL 73 1.472 -11.482 0.944 534 HG23 VAL 73 3HG2 VAL 73 1.963 -12.431 2.347 535 H GLY 74 H GLY 74 5.618 -10.510 0.748 536 HA2 GLY 74 1HA GLY 74 7.065 -8.514 2.379 537 HA3 GLY 74 2HA GLY 74 7.853 -9.533 1.184 538 H VAL 75 H VAL 75 5.790 -6.767 1.694 539 HA VAL 75 HA VAL 75 5.466 -6.205 -1.113 540 HB VAL 75 HB VAL 75 4.880 -4.491 1.306 541 HG11 VAL 75 1HG1 VAL 75 3.791 -2.962 -0.090 542 HG12 VAL 75 2HG1 VAL 75 5.294 -3.327 -0.940 543 HG13 VAL 75 3HG1 VAL 75 3.783 -4.077 -1.456 544 HG21 VAL 75 1HG2 VAL 75 3.545 -6.748 0.221 545 HG22 VAL 75 2HG2 VAL 75 3.043 -5.712 1.558 546 HG23 VAL 75 3HG2 VAL 75 2.552 -5.324 -0.091 547 H GLN 76 H GLN 76 6.593 -4.795 -2.356 548 HA GLN 76 HA GLN 76 8.706 -3.198 -1.097 549 HB2 GLN 76 1HB GLN 76 9.535 -5.433 -2.069 550 HB3 GLN 76 2HB GLN 76 9.217 -4.716 -3.643 551 HG2 GLN 76 1HG GLN 76 10.876 -3.194 -1.705 552 HG3 GLN 76 2HG GLN 76 11.589 -4.585 -2.521 553 HE21 GLN 76 1HE2 GLN 76 12.775 -2.299 -3.014 554 HE22 GLN 76 2HE2 GLN 76 12.382 -1.684 -4.580 555 H VAL 77 H VAL 77 9.264 -1.306 -2.185 556 HA VAL 77 HA VAL 77 7.432 -0.556 -4.370 557 HB VAL 77 HB VAL 77 8.707 1.265 -2.323 558 HG11 VAL 77 1HG1 VAL 77 6.968 2.873 -3.312 559 HG12 VAL 77 2HG1 VAL 77 8.428 2.555 -4.251 560 HG13 VAL 77 3HG1 VAL 77 6.913 1.758 -4.676 561 HG21 VAL 77 1HG2 VAL 77 6.250 1.570 -1.664 562 HG22 VAL 77 2HG2 VAL 77 5.962 0.069 -2.543 563 HG23 VAL 77 3HG2 VAL 77 7.055 0.084 -1.159 564 H LEU 78 H LEU 78 8.244 0.417 -6.177 565 HA LEU 78 HA LEU 78 11.145 0.891 -6.277 566 HB2 LEU 78 1HB LEU 78 9.443 -0.748 -8.108 567 HB3 LEU 78 2HB LEU 78 10.877 0.064 -8.732 568 HG LEU 78 HG LEU 78 11.151 -1.689 -6.336 569 HD11 LEU 78 1HD1 LEU 78 9.877 -2.678 -8.545 570 HD12 LEU 78 2HD1 LEU 78 10.810 -3.629 -7.389 571 HD13 LEU 78 3HD1 LEU 78 11.566 -3.062 -8.878 572 HD21 LEU 78 1HD2 LEU 78 13.337 -1.576 -6.809 573 HD22 LEU 78 2HD2 LEU 78 12.892 -0.197 -7.814 574 HD23 LEU 78 3HD2 LEU 78 13.074 -1.795 -8.539 575 H ASP 79 H ASP 79 11.804 2.279 -8.102 576 HA ASP 79 HA ASP 79 9.837 4.408 -8.486 577 HB2 ASP 79 1HB ASP 79 11.951 5.154 -7.611 578 HB3 ASP 79 2HB ASP 79 12.831 4.319 -8.889 579 H ARG 80 H ARG 80 8.557 3.909 -10.183 580 HA ARG 80 HA ARG 80 9.776 2.917 -12.649 581 HB2 ARG 80 1HB ARG 80 6.913 3.151 -11.729 582 HB3 ARG 80 2HB ARG 80 7.349 2.708 -13.374 583 HG2 ARG 80 1HG ARG 80 8.571 1.162 -11.158 584 HG3 ARG 80 2HG ARG 80 6.863 0.898 -11.513 585 HD2 ARG 80 1HD ARG 80 9.100 0.723 -13.529 586 HD3 ARG 80 2HD ARG 80 8.359 -0.658 -12.720 587 HE ARG 80 HE ARG 80 6.336 0.828 -13.951 588 HH11 ARG 80 1HH1 ARG 80 9.082 -1.131 -14.813 589 HH12 ARG 80 2HH1 ARG 80 8.405 -1.646 -16.322 590 HH21 ARG 80 1HH2 ARG 80 5.434 0.157 -15.936 591 HH22 ARG 80 2HH2 ARG 80 6.331 -0.912 -16.961 592 H LYS 81 H LYS 81 7.418 5.423 -11.704 593 HA LYS 81 HA LYS 81 8.171 6.942 -14.103 594 HB2 LYS 81 1HB LYS 81 5.714 6.844 -12.397 595 HB3 LYS 81 2HB LYS 81 6.067 8.306 -13.309 596 HG2 LYS 81 1HG LYS 81 6.352 6.578 -15.286 597 HG3 LYS 81 2HG LYS 81 5.284 5.610 -14.267 598 HD2 LYS 81 1HD LYS 81 3.661 7.435 -14.224 599 HD3 LYS 81 2HD LYS 81 4.735 8.423 -15.218 600 HE2 LYS 81 1HE LYS 81 3.927 5.729 -16.204 601 HE3 LYS 81 2HE LYS 81 2.762 7.049 -16.291 602 HZ1 LYS 81 1HZ LYS 81 5.069 6.558 -17.904 603 HZ2 LYS 81 2HZ LYS 81 5.073 8.124 -17.264 604 HZ3 LYS 81 3HZ LYS 81 3.759 7.590 -18.186 605 H ASP 82 H ASP 82 7.636 9.461 -13.550 606 HA ASP 82 HA ASP 82 9.787 10.261 -11.860 607 HB2 ASP 82 1HB ASP 82 8.718 11.421 -13.978 608 HB3 ASP 82 2HB ASP 82 7.703 12.202 -12.768 609 H GLY 83 H GLY 83 6.311 11.074 -11.685 610 HA2 GLY 83 1HA GLY 83 6.649 11.419 -8.777 611 HA3 GLY 83 2HA GLY 83 5.397 12.183 -9.745 612 H SER 84 H SER 84 6.417 8.791 -9.743 613 HA SER 84 HA SER 84 4.056 7.962 -8.297 614 HB2 SER 84 1HB SER 84 4.297 7.684 -11.260 615 HB3 SER 84 2HB SER 84 3.568 6.356 -10.357 616 HG SER 84 HG SER 84 1.855 7.588 -10.633 617 H PHE 85 H PHE 85 4.204 5.881 -7.495 618 HA PHE 85 HA PHE 85 6.666 4.405 -8.147 619 HB2 PHE 85 1HB PHE 85 5.528 5.110 -5.458 620 HB3 PHE 85 2HB PHE 85 6.539 3.682 -5.654 621 HD1 PHE 85 2HD PHE 85 6.473 7.357 -6.097 622 HD2 PHE 85 1HD PHE 85 8.870 3.859 -5.728 623 HE1 PHE 85 2HE PHE 85 8.484 8.761 -5.891 624 HE2 PHE 85 1HE PHE 85 10.884 5.257 -5.520 625 HZ PHE 85 HZ PHE 85 10.693 7.711 -5.603 626 H ILE 86 H ILE 86 6.530 2.180 -8.190 627 HA ILE 86 HA ILE 86 3.802 1.113 -8.269 628 HB ILE 86 HB ILE 86 5.320 0.820 -10.248 629 HG12 ILE 86 1HG1 ILE 86 4.532 -1.823 -9.025 630 HG13 ILE 86 2HG1 ILE 86 3.344 -0.673 -9.629 631 HG21 ILE 86 1HG2 ILE 86 6.754 -1.106 -8.423 632 HG22 ILE 86 2HG2 ILE 86 7.070 -0.863 -10.141 633 HG23 ILE 86 3HG2 ILE 86 7.393 0.436 -8.992 634 HD11 ILE 86 1HD1 ILE 86 3.595 -1.496 -11.660 635 HD12 ILE 86 2HD1 ILE 86 5.300 -1.043 -11.642 636 HD13 ILE 86 3HD1 ILE 86 4.803 -2.630 -11.057 637 H VAL 87 H VAL 87 3.132 -0.583 -7.029 638 HA VAL 87 HA VAL 87 5.031 -1.562 -4.996 639 HB VAL 87 HB VAL 87 2.053 -1.320 -4.591 640 HG11 VAL 87 1HG1 VAL 87 4.046 -2.665 -3.178 641 HG12 VAL 87 2HG1 VAL 87 3.717 -1.207 -2.240 642 HG13 VAL 87 3HG1 VAL 87 2.405 -2.317 -2.635 643 HG21 VAL 87 1HG2 VAL 87 2.363 0.893 -4.506 644 HG22 VAL 87 2HG2 VAL 87 3.208 0.590 -2.988 645 HG23 VAL 87 3HG2 VAL 87 4.119 0.736 -4.491 646 H ARG 88 H ARG 88 5.313 -3.697 -4.876 647 HA ARG 88 HA ARG 88 3.241 -5.494 -5.888 648 HB2 ARG 88 1HB ARG 88 4.934 -6.805 -7.145 649 HB3 ARG 88 2HB ARG 88 4.680 -5.194 -7.802 650 HG2 ARG 88 1HG ARG 88 6.715 -4.440 -6.600 651 HG3 ARG 88 2HG ARG 88 6.990 -6.112 -6.108 652 HD2 ARG 88 1HD ARG 88 6.689 -5.302 -8.987 653 HD3 ARG 88 2HD ARG 88 8.247 -5.295 -8.161 654 HE ARG 88 HE ARG 88 8.256 -7.601 -8.198 655 HH11 ARG 88 1HH1 ARG 88 5.148 -6.399 -9.205 656 HH12 ARG 88 2HH1 ARG 88 4.592 -7.937 -9.776 657 HH21 ARG 88 1HH2 ARG 88 7.536 -9.632 -8.946 658 HH22 ARG 88 2HH2 ARG 88 5.951 -9.776 -9.628 659 H TYR 89 H TYR 89 3.588 -7.744 -5.240 660 HA TYR 89 HA TYR 89 5.515 -8.209 -3.115 661 HB2 TYR 89 1HB TYR 89 3.865 -8.875 -1.472 662 HB3 TYR 89 2HB TYR 89 3.534 -7.223 -1.982 663 HD1 TYR 89 2HD TYR 89 2.554 -10.725 -2.845 664 HD2 TYR 89 1HD TYR 89 1.355 -6.658 -2.497 665 HE1 TYR 89 2HE TYR 89 0.244 -11.365 -3.396 666 HE2 TYR 89 1HE TYR 89 -0.959 -7.287 -3.046 667 HH TYR 89 HH TYR 89 -2.221 -8.995 -4.021 668 H ARG 90 H ARG 90 5.301 -10.524 -2.291 669 HA ARG 90 HA ARG 90 4.572 -12.276 -4.546 670 HB2 ARG 90 1HB ARG 90 6.943 -12.228 -2.742 671 HB3 ARG 90 2HB ARG 90 6.356 -13.795 -3.286 672 HG2 ARG 90 1HG ARG 90 7.948 -13.269 -4.870 673 HG3 ARG 90 2HG ARG 90 6.450 -12.748 -5.646 674 HD2 ARG 90 1HD ARG 90 6.893 -10.487 -5.241 675 HD3 ARG 90 2HD ARG 90 8.103 -10.853 -4.013 676 HE ARG 90 HE ARG 90 8.499 -10.736 -6.861 677 HH11 ARG 90 1HH1 ARG 90 9.687 -12.001 -3.843 678 HH12 ARG 90 2HH1 ARG 90 11.309 -12.206 -4.418 679 HH21 ARG 90 1HH2 ARG 90 10.630 -11.002 -7.629 680 HH22 ARG 90 2HH2 ARG 90 11.844 -11.637 -6.571 681 H MET 91 H MET 91 3.479 -14.168 -4.130 682 HA MET 91 HA MET 91 3.013 -15.099 -1.456 683 HB2 MET 91 1HB MET 91 1.391 -13.079 -2.034 684 HB3 MET 91 2HB MET 91 0.492 -14.345 -2.860 685 HG2 MET 91 1HG MET 91 1.359 -14.863 -0.074 686 HG3 MET 91 2HG MET 91 0.050 -13.712 -0.332 687 HE1 MET 91 1HE MET 91 -1.092 -15.727 1.384 688 HE2 MET 91 2HE MET 91 -2.096 -14.658 0.404 689 HE3 MET 91 3HE MET 91 -2.453 -16.384 0.474 690 H TYR 92 H TYR 92 3.411 -17.180 -1.878 691 HA TYR 92 HA TYR 92 2.360 -18.402 -4.311 692 HB2 TYR 92 1HB TYR 92 3.951 -19.936 -2.302 693 HB3 TYR 92 2HB TYR 92 3.951 -20.056 -4.058 694 HD1 TYR 92 2HD TYR 92 4.349 -17.092 -4.631 695 HD2 TYR 92 1HD TYR 92 6.287 -19.755 -1.938 696 HE1 TYR 92 2HE TYR 92 6.377 -15.704 -4.728 697 HE2 TYR 92 1HE TYR 92 8.320 -18.375 -2.027 698 HH TYR 92 HH TYR 92 8.597 -15.550 -2.711 699 H ALA 93 H ALA 93 0.433 -17.655 -2.404 700 HA ALA 93 HA ALA 93 -0.611 -20.304 -1.671 701 HB1 ALA 93 1HB ALA 93 0.119 -18.213 0.135 702 HB2 ALA 93 2HB ALA 93 -1.624 -18.472 0.212 703 HB3 ALA 93 3HB ALA 93 -0.519 -19.818 0.491 704 H SER 94 H SER 94 -3.018 -20.165 -1.166 705 HA SER 94 HA SER 94 -4.272 -18.548 -3.263 706 HB2 SER 94 1HB SER 94 -5.356 -20.919 -1.722 707 HB3 SER 94 2HB SER 94 -6.174 -20.098 -3.050 708 HG SER 94 HG SER 94 -4.901 -21.059 -4.443 709 H TYR 95 H TYR 95 -5.145 -16.690 -2.656 710 HA TYR 95 HA TYR 95 -6.578 -16.580 -0.088 711 HB2 TYR 95 1HB TYR 95 -5.688 -14.458 0.438 712 HB3 TYR 95 2HB TYR 95 -4.305 -15.409 -0.092 713 HD1 TYR 95 1HD TYR 95 -6.776 -12.890 -1.266 714 HD2 TYR 95 2HD TYR 95 -2.944 -14.649 -1.839 715 HE1 TYR 95 1HE TYR 95 -6.240 -11.166 -2.937 716 HE2 TYR 95 2HE TYR 95 -2.398 -12.929 -3.510 717 HH TYR 95 HH TYR 95 -4.255 -11.283 -5.129 718 H LYS 96 H LYS 96 -8.480 -15.445 -0.065 719 HA LYS 96 HA LYS 96 -9.479 -14.592 -2.694 720 HB2 LYS 96 1HB LYS 96 -10.847 -15.636 -0.228 721 HB3 LYS 96 2HB LYS 96 -11.744 -14.770 -1.468 722 HG2 LYS 96 1HG LYS 96 -12.004 -17.071 -1.923 723 HG3 LYS 96 2HG LYS 96 -10.868 -16.449 -3.123 724 HD2 LYS 96 1HD LYS 96 -9.000 -17.333 -1.857 725 HD3 LYS 96 2HD LYS 96 -10.090 -17.875 -0.579 726 HE2 LYS 96 1HE LYS 96 -11.248 -19.202 -2.486 727 HE3 LYS 96 2HE LYS 96 -9.731 -18.951 -3.349 728 HZ1 LYS 96 1HZ LYS 96 -10.326 -20.797 -1.278 729 HZ2 LYS 96 2HZ LYS 96 -9.025 -19.814 -0.830 730 HZ3 LYS 96 3HZ LYS 96 -8.956 -20.706 -2.266 731 H ASN 97 H ASN 97 -9.334 -13.641 0.712 732 HA ASN 97 HA ASN 97 -9.912 -10.875 -0.126 733 HB2 ASN 97 1HB ASN 97 -10.551 -11.955 2.614 734 HB3 ASN 97 2HB ASN 97 -11.140 -10.478 1.857 735 HD21 ASN 97 1HD2 ASN 97 -12.643 -12.644 3.053 736 HD22 ASN 97 2HD2 ASN 97 -13.683 -13.257 1.817 737 H LEU 98 H LEU 98 -8.742 -9.222 0.874 738 HA LEU 98 HA LEU 98 -6.720 -9.871 2.841 739 HB2 LEU 98 1HB LEU 98 -6.082 -9.193 0.000 740 HB3 LEU 98 2HB LEU 98 -4.991 -8.697 1.291 741 HG LEU 98 HG LEU 98 -5.791 -11.543 0.684 742 HD11 LEU 98 1HD1 LEU 98 -3.541 -11.805 -0.174 743 HD12 LEU 98 2HD1 LEU 98 -3.194 -10.107 0.151 744 HD13 LEU 98 3HD1 LEU 98 -4.389 -10.544 -1.070 745 HD21 LEU 98 1HD2 LEU 98 -3.915 -10.319 2.693 746 HD22 LEU 98 2HD2 LEU 98 -3.838 -12.015 2.214 747 HD23 LEU 98 3HD2 LEU 98 -5.290 -11.382 2.991 748 H LYS 99 H LYS 99 -5.538 -7.922 3.567 749 HA LYS 99 HA LYS 99 -7.197 -5.509 3.233 750 HB2 LYS 99 1HB LYS 99 -7.458 -6.169 5.472 751 HB3 LYS 99 2HB LYS 99 -5.768 -6.630 5.628 752 HG2 LYS 99 1HG LYS 99 -5.066 -4.476 5.962 753 HG3 LYS 99 2HG LYS 99 -6.434 -3.779 5.091 754 HD2 LYS 99 1HD LYS 99 -6.529 -3.392 7.538 755 HD3 LYS 99 2HD LYS 99 -7.919 -4.288 6.920 756 HE2 LYS 99 1HE LYS 99 -7.175 -6.301 7.837 757 HE3 LYS 99 2HE LYS 99 -5.523 -5.714 8.022 758 HZ1 LYS 99 1HZ LYS 99 -7.850 -4.708 9.567 759 HZ2 LYS 99 2HZ LYS 99 -6.230 -4.278 9.792 760 HZ3 LYS 99 3HZ LYS 99 -6.742 -5.853 10.136 761 H VAL 100 H VAL 100 -6.210 -3.553 2.885 762 HA VAL 100 HA VAL 100 -3.287 -3.617 2.496 763 HB VAL 100 HB VAL 100 -5.317 -2.088 0.861 764 HG11 VAL 100 1HG1 VAL 100 -3.577 -1.121 -0.334 765 HG12 VAL 100 2HG1 VAL 100 -2.994 -1.054 1.330 766 HG13 VAL 100 3HG1 VAL 100 -2.397 -2.301 0.235 767 HG21 VAL 100 1HG2 VAL 100 -5.347 -4.426 0.289 768 HG22 VAL 100 2HG2 VAL 100 -4.515 -3.538 -0.988 769 HG23 VAL 100 3HG2 VAL 100 -3.586 -4.465 0.190 770 H GLU 101 H GLU 101 -2.104 -1.882 3.201 771 HA GLU 101 HA GLU 101 -3.527 0.400 4.357 772 HB2 GLU 101 1HB GLU 101 -1.830 -1.561 5.824 773 HB3 GLU 101 2HB GLU 101 -1.701 0.134 6.274 774 HG2 GLU 101 1HG GLU 101 -3.964 0.246 6.906 775 HG3 GLU 101 2HG GLU 101 -4.337 -1.291 6.127 776 H ILE 102 H ILE 102 -2.513 2.306 4.066 777 HA ILE 102 HA ILE 102 0.304 2.281 3.232 778 HB ILE 102 HB ILE 102 -1.717 4.061 1.890 779 HG12 ILE 102 1HG1 ILE 102 -1.244 2.331 -0.056 780 HG13 ILE 102 2HG1 ILE 102 -0.965 1.232 1.289 781 HG21 ILE 102 1HG2 ILE 102 0.011 4.866 0.726 782 HG22 ILE 102 2HG2 ILE 102 1.030 4.104 1.947 783 HG23 ILE 102 3HG2 ILE 102 0.677 3.258 0.440 784 HD11 ILE 102 1HD1 ILE 102 -3.373 1.719 0.129 785 HD12 ILE 102 2HD1 ILE 102 -3.140 1.069 1.752 786 HD13 ILE 102 3HD1 ILE 102 -3.419 2.796 1.525 787 H LYS 103 H LYS 103 1.311 3.369 4.790 788 HA LYS 103 HA LYS 103 0.196 5.969 5.606 789 HB2 LYS 103 1HB LYS 103 1.404 3.818 7.336 790 HB3 LYS 103 2HB LYS 103 1.306 5.492 7.864 791 HG2 LYS 103 1HG LYS 103 -0.610 4.676 8.779 792 HG3 LYS 103 2HG LYS 103 -1.227 5.201 7.210 793 HD2 LYS 103 1HD LYS 103 -2.098 3.092 7.265 794 HD3 LYS 103 2HD LYS 103 -0.534 2.736 6.527 795 HE2 LYS 103 1HE LYS 103 0.290 1.752 8.424 796 HE3 LYS 103 2HE LYS 103 -0.734 2.708 9.495 797 HZ1 LYS 103 1HZ LYS 103 -2.524 1.239 8.104 798 HZ2 LYS 103 2HZ LYS 103 -1.941 0.854 9.645 799 HZ3 LYS 103 3HZ LYS 103 -1.239 0.152 8.275 800 H PHE 104 H PHE 104 1.798 7.511 6.380 801 HA PHE 104 HA PHE 104 4.523 6.971 5.418 802 HB2 PHE 104 1HB PHE 104 3.855 8.299 3.661 803 HB3 PHE 104 2HB PHE 104 2.675 9.174 4.632 804 HD1 PHE 104 1HD PHE 104 6.368 8.705 4.395 805 HD2 PHE 104 2HD PHE 104 3.130 11.357 5.165 806 HE1 PHE 104 1HE PHE 104 7.957 10.568 4.634 807 HE2 PHE 104 2HE PHE 104 4.713 13.226 5.405 808 HZ PHE 104 HZ PHE 104 7.130 12.833 5.138 809 H GLN 105 H GLN 105 5.786 7.063 7.151 810 HA GLN 105 HA GLN 105 6.598 7.630 9.213 811 HB2 GLN 105 1HB GLN 105 6.145 10.231 7.796 812 HB3 GLN 105 2HB GLN 105 6.737 10.233 9.452 813 HG2 GLN 105 1HG GLN 105 8.503 8.556 8.519 814 HG3 GLN 105 2HG GLN 105 8.062 9.266 6.967 815 HE21 GLN 105 1HE2 GLN 105 10.604 9.418 8.231 816 HE22 GLN 105 2HE2 GLN 105 10.928 11.085 8.549 817 H GLY 106 H GLY 106 3.894 6.919 9.327 818 HA2 GLY 106 1HA GLY 106 2.338 6.873 11.052 819 HA3 GLY 106 2HA GLY 106 3.151 8.248 11.783 820 H GLN 107 H GLN 107 1.998 8.161 8.467 821 HA GLN 107 HA GLN 107 -0.305 9.813 9.167 822 HB2 GLN 107 1HB GLN 107 1.848 10.674 7.229 823 HB3 GLN 107 2HB GLN 107 0.296 11.478 7.422 824 HG2 GLN 107 1HG GLN 107 0.860 11.959 9.765 825 HG3 GLN 107 2HG GLN 107 2.436 11.207 9.520 826 HE21 GLN 107 1HE2 GLN 107 4.046 12.389 8.695 827 HE22 GLN 107 2HE2 GLN 107 3.891 14.011 8.121 828 H HIS 108 H HIS 108 -1.904 8.634 8.331 829 HA HIS 108 HA HIS 108 -1.688 6.863 6.171 830 HB2 HIS 108 1HB HIS 108 -4.063 8.199 7.463 831 HB3 HIS 108 2HB HIS 108 -4.239 7.051 6.139 832 HD1 HIS 108 1HD HIS 108 -4.248 4.626 6.743 833 HD2 HIS 108 2HD HIS 108 -2.853 7.023 9.836 834 HE1 HIS 108 1HE HIS 108 -3.997 3.093 8.721 835 HE2 HIS 108 2HE HIS 108 -3.233 4.582 10.603 836 H VAL 109 H VAL 109 -2.185 7.019 4.010 837 HA VAL 109 HA VAL 109 -2.291 9.751 2.945 838 HB VAL 109 HB VAL 109 -1.604 7.169 1.534 839 HG11 VAL 109 1HG1 VAL 109 -1.188 8.377 -0.394 840 HG12 VAL 109 2HG1 VAL 109 -2.632 9.173 0.237 841 HG13 VAL 109 3HG1 VAL 109 -1.044 9.907 0.471 842 HG21 VAL 109 1HG2 VAL 109 0.036 9.265 2.880 843 HG22 VAL 109 2HG2 VAL 109 0.230 7.512 2.879 844 HG23 VAL 109 3HG2 VAL 109 0.681 8.449 1.455 845 H ALA 110 H ALA 110 -3.711 6.540 2.324 846 HA ALA 110 HA ALA 110 -5.989 7.867 1.025 847 HB1 ALA 110 1HB ALA 110 -4.837 6.183 -0.321 848 HB2 ALA 110 2HB ALA 110 -5.151 4.971 0.922 849 HB3 ALA 110 3HB ALA 110 -6.494 5.695 0.038 850 H LYS 111 H LYS 111 -7.973 6.089 1.265 851 HA LYS 111 HA LYS 111 -8.810 6.441 3.980 852 HB2 LYS 111 1HB LYS 111 -10.127 4.961 1.695 853 HB3 LYS 111 2HB LYS 111 -10.890 5.329 3.236 854 HG2 LYS 111 1HG LYS 111 -9.771 7.521 1.540 855 HG3 LYS 111 2HG LYS 111 -11.363 6.839 1.200 856 HD2 LYS 111 1HD LYS 111 -10.685 7.710 3.978 857 HD3 LYS 111 2HD LYS 111 -11.133 8.915 2.768 858 HE2 LYS 111 1HE LYS 111 -12.829 6.485 3.184 859 HE3 LYS 111 2HE LYS 111 -12.967 7.860 4.278 860 HZ1 LYS 111 1HZ LYS 111 -13.085 9.082 1.915 861 HZ2 LYS 111 2HZ LYS 111 -14.451 8.550 2.759 862 HZ3 LYS 111 3HZ LYS 111 -13.805 7.604 1.514 863 H SER 112 H SER 112 -6.573 4.935 4.136 864 HA SER 112 HA SER 112 -7.271 2.128 4.287 865 HB2 SER 112 1HB SER 112 -5.029 1.718 4.396 866 HB3 SER 112 2HB SER 112 -4.934 3.350 3.736 867 HG SER 112 HG SER 112 -3.775 2.593 5.865 868 HA PRO 113 HA PRO 113 -6.014 0.443 5.513 869 HB2 PRO 113 1HB PRO 113 -7.379 -1.576 6.709 870 HB3 PRO 113 2HB PRO 113 -5.907 -0.876 7.391 871 HG2 PRO 113 1HG PRO 113 -8.765 -0.333 8.096 872 HG3 PRO 113 2HG PRO 113 -7.371 -0.553 9.169 873 HD2 PRO 113 1HD PRO 113 -8.359 1.890 8.547 874 HD3 PRO 113 2HD PRO 113 -6.635 1.609 8.863 875 H TYR 114 H TYR 114 -6.912 -1.044 3.974 876 HA TYR 114 HA TYR 114 -9.646 -0.319 3.160 877 HB2 TYR 114 1HB TYR 114 -7.165 -0.958 1.629 878 HB3 TYR 114 2HB TYR 114 -8.716 -1.380 0.914 879 HD1 TYR 114 1HD TYR 114 -10.457 0.484 0.678 880 HD2 TYR 114 2HD TYR 114 -6.344 1.227 1.476 881 HE1 TYR 114 1HE TYR 114 -10.727 2.797 -0.113 882 HE2 TYR 114 2HE TYR 114 -6.604 3.543 0.688 883 HH TYR 114 HH TYR 114 -8.210 4.771 -0.918 884 H ILE 115 H ILE 115 -10.987 -1.824 3.953 885 HA ILE 115 HA ILE 115 -10.220 -4.602 4.133 886 HB ILE 115 HB ILE 115 -12.993 -3.525 4.578 887 HG12 ILE 115 1HG1 ILE 115 -11.471 -2.113 5.861 888 HG13 ILE 115 2HG1 ILE 115 -12.364 -3.178 6.941 889 HG21 ILE 115 1HG2 ILE 115 -12.559 -5.993 4.504 890 HG22 ILE 115 2HG2 ILE 115 -11.546 -5.790 5.932 891 HG23 ILE 115 3HG2 ILE 115 -13.265 -5.407 6.009 892 HD11 ILE 115 1HD1 ILE 115 -10.476 -3.964 7.771 893 HD12 ILE 115 2HD1 ILE 115 -9.928 -4.445 6.165 894 HD13 ILE 115 3HD1 ILE 115 -9.589 -2.821 6.763 895 H LEU 116 H LEU 116 -10.142 -5.728 2.292 896 HA LEU 116 HA LEU 116 -12.217 -5.298 0.264 897 HB2 LEU 116 1HB LEU 116 -9.597 -6.781 0.101 898 HB3 LEU 116 2HB LEU 116 -10.737 -6.577 -1.228 899 HG LEU 116 HG LEU 116 -10.356 -4.039 -0.827 900 HD11 LEU 116 1HD1 LEU 116 -8.758 -3.382 0.572 901 HD12 LEU 116 2HD1 LEU 116 -7.613 -4.561 -0.067 902 HD13 LEU 116 3HD1 LEU 116 -8.747 -5.031 1.200 903 HD21 LEU 116 1HD2 LEU 116 -8.403 -5.930 -2.110 904 HD22 LEU 116 2HD2 LEU 116 -8.263 -4.178 -2.256 905 HD23 LEU 116 3HD2 LEU 116 -9.696 -5.003 -2.872 906 H LYS 117 H LYS 117 -13.948 -6.487 0.890 907 HA LYS 117 HA LYS 117 -13.578 -9.392 0.947 908 HB2 LYS 117 1HB LYS 117 -14.970 -9.681 2.876 909 HB3 LYS 117 2HB LYS 117 -13.704 -8.535 3.297 910 HG2 LYS 117 1HG LYS 117 -15.256 -6.686 3.009 911 HG3 LYS 117 2HG LYS 117 -16.528 -7.815 2.534 912 HD2 LYS 117 1HD LYS 117 -16.275 -8.915 4.764 913 HD3 LYS 117 2HD LYS 117 -15.165 -7.620 5.218 914 HE2 LYS 117 1HE LYS 117 -17.355 -7.099 6.060 915 HE3 LYS 117 2HE LYS 117 -16.967 -5.981 4.754 916 HZ1 LYS 117 1HZ LYS 117 -18.449 -7.009 3.325 917 HZ2 LYS 117 2HZ LYS 117 -19.276 -7.058 4.800 918 HZ3 LYS 117 3HZ LYS 117 -18.499 -8.445 4.219 919 H GLY 118 H GLY 118 -15.715 -10.549 0.740 920 HA2 GLY 118 1HA GLY 118 -17.762 -10.859 -0.276 921 HA3 GLY 118 2HA GLY 118 -17.965 -9.114 -0.289 922 H SER 119 H SER 119 -17.742 -11.748 -2.220 923 HA SER 119 HA SER 119 -16.309 -10.427 -4.394 924 HB2 SER 119 1HB SER 119 -16.622 -12.601 -5.581 925 HB3 SER 119 2HB SER 119 -15.774 -12.766 -4.044 926 HG SER 119 HG SER 119 -18.332 -13.012 -3.509 927 H GLY 120 H GLY 120 -18.005 -8.753 -4.523 928 HA2 GLY 120 1HA GLY 120 -19.462 -8.521 -6.650 929 HA3 GLY 120 2HA GLY 120 -20.478 -9.685 -5.813 930 HA PRO 121 HA PRO 121 -21.103 -5.112 -4.414 931 HB2 PRO 121 1HB PRO 121 -22.915 -4.229 -6.232 932 HB3 PRO 121 2HB PRO 121 -21.172 -4.013 -6.430 933 HG2 PRO 121 1HG PRO 121 -22.975 -6.074 -7.640 934 HG3 PRO 121 2HG PRO 121 -21.666 -5.148 -8.399 935 HD2 PRO 121 1HD PRO 121 -21.352 -7.708 -7.575 936 HD3 PRO 121 2HD PRO 121 -20.027 -6.526 -7.547 937 H SER 122 H SER 122 -22.774 -7.934 -4.994 938 HA SER 122 HA SER 122 -24.552 -8.883 -3.915 939 HB2 SER 122 1HB SER 122 -23.820 -7.205 -2.054 940 HB3 SER 122 2HB SER 122 -25.226 -6.278 -2.578 941 HG SER 122 HG SER 122 -25.090 -8.731 -1.272 942 H SER 123 H SER 123 -24.945 -8.187 -6.435 943 HA SER 123 HA SER 123 -27.531 -6.778 -6.504 944 HB2 SER 123 1HB SER 123 -25.662 -5.821 -7.888 945 HB3 SER 123 2HB SER 123 -25.678 -7.308 -8.837 946 HG SER 123 HG SER 123 -27.204 -5.176 -9.143 947 H GLY 124 H GLY 124 -29.283 -7.976 -6.806 948 HA2 GLY 124 1HA GLY 124 -30.546 -9.549 -8.098 949 HA3 GLY 124 2HA GLY 124 -29.061 -10.440 -8.397 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -6.570 19.399 7.616 2 HA2 GLY 1 1HA GLY 1 -3.937 18.787 7.260 3 HA3 GLY 1 2HA GLY 1 -4.070 20.419 6.623 4 H SER 2 H SER 2 -2.637 21.129 8.277 5 HA SER 2 HA SER 2 -4.035 21.689 10.782 6 HB2 SER 2 1HB SER 2 -2.312 20.913 12.190 7 HB3 SER 2 2HB SER 2 -2.500 19.631 10.993 8 HG SER 2 HG SER 2 -0.495 19.939 10.494 9 H SER 3 H SER 3 -2.511 23.201 12.158 10 HA SER 3 HA SER 3 -1.522 25.271 10.312 11 HB2 SER 3 1HB SER 3 -2.127 26.920 11.972 12 HB3 SER 3 2HB SER 3 -3.517 25.870 11.702 13 HG SER 3 HG SER 3 -3.455 25.452 13.748 14 H GLY 4 H GLY 4 0.261 26.619 11.103 15 HA2 GLY 4 1HA GLY 4 1.941 26.703 13.024 16 HA3 GLY 4 2HA GLY 4 2.152 24.993 12.678 17 H SER 5 H SER 5 3.376 28.016 12.128 18 HA SER 5 HA SER 5 5.271 27.049 10.217 19 HB2 SER 5 1HB SER 5 4.720 28.340 8.328 20 HB3 SER 5 2HB SER 5 3.171 27.687 8.859 21 HG SER 5 HG SER 5 2.626 29.729 8.782 22 H SER 6 H SER 6 6.734 28.927 9.482 23 HA SER 6 HA SER 6 7.604 30.288 11.839 24 HB2 SER 6 1HB SER 6 8.551 30.276 8.977 25 HB3 SER 6 2HB SER 6 9.280 31.325 10.193 26 HG SER 6 HG SER 6 9.319 29.107 11.386 27 H GLY 7 H GLY 7 8.265 32.697 11.595 28 HA2 GLY 7 1HA GLY 7 5.832 34.136 10.781 29 HA3 GLY 7 2HA GLY 7 7.004 34.698 11.964 30 H GLU 8 H GLU 8 7.573 33.437 8.700 31 HA GLU 8 HA GLU 8 8.560 36.098 7.923 32 HB2 GLU 8 1HB GLU 8 9.884 33.430 7.420 33 HB3 GLU 8 2HB GLU 8 10.357 34.923 6.623 34 HG2 GLU 8 1HG GLU 8 10.282 34.781 9.603 35 HG3 GLU 8 2HG GLU 8 11.648 34.108 8.715 36 H THR 9 H THR 9 7.959 36.800 5.952 37 HA THR 9 HA THR 9 5.845 35.562 4.586 38 HB THR 9 HB THR 9 6.284 37.986 4.469 39 HG1 THR 9 1HG THR 9 5.287 36.559 2.660 40 HG21 THR 9 1HG2 THR 9 8.374 37.567 2.393 41 HG22 THR 9 2HG2 THR 9 8.851 37.450 4.087 42 HG23 THR 9 3HG2 THR 9 8.117 38.933 3.477 43 H GLY 10 H GLY 10 5.730 34.310 2.768 44 HA2 GLY 10 1HA GLY 10 6.523 33.198 0.862 45 HA3 GLY 10 2HA GLY 10 8.157 33.690 1.282 46 H GLY 11 H GLY 11 6.501 31.045 0.762 47 HA2 GLY 11 1HA GLY 11 8.145 29.476 2.583 48 HA3 GLY 11 2HA GLY 11 6.407 29.293 2.768 49 H GLU 12 H GLU 12 8.421 27.319 1.971 50 HA GLU 12 HA GLU 12 8.066 26.838 -0.838 51 HB2 GLU 12 1HB GLU 12 9.317 25.291 1.416 52 HB3 GLU 12 2HB GLU 12 9.094 24.561 -0.168 53 HG2 GLU 12 1HG GLU 12 10.573 26.046 -1.193 54 HG3 GLU 12 2HG GLU 12 10.509 27.180 0.155 55 H ARG 13 H ARG 13 7.316 24.549 -1.501 56 HA ARG 13 HA ARG 13 4.569 24.322 -0.767 57 HB2 ARG 13 1HB ARG 13 6.313 22.528 -2.464 58 HB3 ARG 13 2HB ARG 13 4.567 22.381 -2.317 59 HG2 ARG 13 1HG ARG 13 4.165 24.284 -3.544 60 HG3 ARG 13 2HG ARG 13 5.751 24.973 -3.190 61 HD2 ARG 13 1HD ARG 13 6.662 22.973 -4.548 62 HD3 ARG 13 2HD ARG 13 5.013 22.838 -5.158 63 HE ARG 13 HE ARG 13 6.958 24.774 -5.912 64 HH11 ARG 13 1HH1 ARG 13 3.544 24.297 -5.430 65 HH12 ARG 13 2HH1 ARG 13 3.080 25.532 -6.553 66 HH21 ARG 13 1HH2 ARG 13 6.361 26.403 -7.392 67 HH22 ARG 13 2HH2 ARG 13 4.684 26.729 -7.669 68 H GLN 14 H GLN 14 3.565 22.264 -0.076 69 HA GLN 14 HA GLN 14 5.291 20.627 1.639 70 HB2 GLN 14 1HB GLN 14 2.824 22.130 2.478 71 HB3 GLN 14 2HB GLN 14 3.365 20.700 3.346 72 HG2 GLN 14 1HG GLN 14 5.337 22.862 2.855 73 HG3 GLN 14 2HG GLN 14 4.085 23.132 4.067 74 HE21 GLN 14 1HE2 GLN 14 3.783 21.112 5.526 75 HE22 GLN 14 2HE2 GLN 14 5.246 20.458 6.172 76 H LEU 15 H LEU 15 5.056 18.599 0.995 77 HA LEU 15 HA LEU 15 2.881 17.700 -0.588 78 HB2 LEU 15 1HB LEU 15 4.732 16.467 -1.047 79 HB3 LEU 15 2HB LEU 15 5.302 16.503 0.620 80 HG LEU 15 HG LEU 15 3.652 14.775 1.204 81 HD11 LEU 15 1HD1 LEU 15 2.082 13.970 -0.199 82 HD12 LEU 15 2HD1 LEU 15 3.111 14.131 -1.621 83 HD13 LEU 15 3HD1 LEU 15 2.277 15.543 -0.973 84 HD21 LEU 15 1HD2 LEU 15 5.305 13.358 0.789 85 HD22 LEU 15 2HD2 LEU 15 5.983 14.481 -0.390 86 HD23 LEU 15 3HD2 LEU 15 4.809 13.267 -0.901 87 H SER 16 H SER 16 0.969 16.898 -0.014 88 HA SER 16 HA SER 16 0.563 16.168 2.812 89 HB2 SER 16 1HB SER 16 -1.129 17.682 0.875 90 HB3 SER 16 2HB SER 16 -1.940 16.680 2.079 91 HG SER 16 HG SER 16 0.105 18.326 2.991 92 HA PRO 17 HA PRO 17 -0.250 12.099 1.246 93 HB2 PRO 17 1HB PRO 17 -1.107 11.030 3.589 94 HB3 PRO 17 2HB PRO 17 0.598 11.339 3.242 95 HG2 PRO 17 1HG PRO 17 -1.338 12.974 4.837 96 HG3 PRO 17 2HG PRO 17 0.352 12.574 5.197 97 HD2 PRO 17 1HD PRO 17 -0.392 14.967 4.171 98 HD3 PRO 17 2HD PRO 17 1.170 14.210 3.795 99 H GLU 18 H GLU 18 -2.628 13.487 3.522 100 HA GLU 18 HA GLU 18 -4.827 11.981 2.800 101 HB2 GLU 18 1HB GLU 18 -6.193 13.921 3.590 102 HB3 GLU 18 2HB GLU 18 -4.937 13.419 4.713 103 HG2 GLU 18 1HG GLU 18 -3.603 15.280 4.233 104 HG3 GLU 18 2HG GLU 18 -4.506 15.656 2.767 105 H LYS 19 H LYS 19 -3.490 14.840 1.246 106 HA LYS 19 HA LYS 19 -5.636 15.245 -0.570 107 HB2 LYS 19 1HB LYS 19 -2.776 16.168 -0.478 108 HB3 LYS 19 2HB LYS 19 -3.797 16.526 -1.864 109 HG2 LYS 19 1HG LYS 19 -4.843 17.184 0.834 110 HG3 LYS 19 2HG LYS 19 -3.556 18.193 0.170 111 HD2 LYS 19 1HD LYS 19 -5.786 19.080 -0.357 112 HD3 LYS 19 2HD LYS 19 -4.894 18.633 -1.813 113 HE2 LYS 19 1HE LYS 19 -6.147 16.606 -2.035 114 HE3 LYS 19 2HE LYS 19 -6.912 16.846 -0.465 115 HZ1 LYS 19 1HZ LYS 19 -8.267 17.443 -2.493 116 HZ2 LYS 19 2HZ LYS 19 -7.242 18.775 -2.684 117 HZ3 LYS 19 3HZ LYS 19 -8.177 18.622 -1.283 118 H SER 20 H SER 20 -2.732 13.290 -0.626 119 HA SER 20 HA SER 20 -2.555 12.715 -3.339 120 HB2 SER 20 1HB SER 20 -2.031 10.550 -1.341 121 HB3 SER 20 2HB SER 20 -1.087 11.022 -2.753 122 HG SER 20 HG SER 20 -0.262 12.725 -1.641 123 H GLU 21 H GLU 21 -3.422 11.141 -4.666 124 HA GLU 21 HA GLU 21 -5.822 9.789 -3.618 125 HB2 GLU 21 1HB GLU 21 -6.607 9.855 -6.033 126 HB3 GLU 21 2HB GLU 21 -6.572 11.393 -5.183 127 HG2 GLU 21 1HG GLU 21 -4.180 10.616 -6.757 128 HG3 GLU 21 2HG GLU 21 -5.625 11.127 -7.628 129 H ILE 22 H ILE 22 -5.794 7.644 -3.642 130 HA ILE 22 HA ILE 22 -3.767 6.292 -5.293 131 HB ILE 22 HB ILE 22 -5.175 5.198 -2.857 132 HG12 ILE 22 1HG1 ILE 22 -2.458 6.488 -3.155 133 HG13 ILE 22 2HG1 ILE 22 -3.795 7.045 -2.155 134 HG21 ILE 22 1HG2 ILE 22 -4.075 3.268 -3.176 135 HG22 ILE 22 2HG2 ILE 22 -3.930 3.825 -4.843 136 HG23 ILE 22 3HG2 ILE 22 -2.603 4.079 -3.710 137 HD11 ILE 22 1HD1 ILE 22 -2.659 6.025 -0.520 138 HD12 ILE 22 2HD1 ILE 22 -3.419 4.566 -1.156 139 HD13 ILE 22 3HD1 ILE 22 -1.776 4.986 -1.638 140 H TRP 23 H TRP 23 -4.462 5.189 -6.991 141 HA TRP 23 HA TRP 23 -7.162 4.019 -6.911 142 HB2 TRP 23 1HB TRP 23 -7.510 4.613 -9.240 143 HB3 TRP 23 2HB TRP 23 -7.144 6.064 -8.311 144 HD1 TRP 23 HD TRP 23 -5.673 3.784 -11.008 145 HE1 TRP 23 1HE TRP 23 -3.709 5.006 -12.138 146 HE3 TRP 23 3HE TRP 23 -5.359 7.845 -7.918 147 HZ2 TRP 23 2HZ TRP 23 -2.223 7.377 -11.767 148 HZ3 TRP 23 3HZ TRP 23 -3.638 9.544 -8.374 149 HH2 TRP 23 HH TRP 23 -2.104 9.313 -10.259 150 H GLY 24 H GLY 24 -7.414 2.378 -8.780 151 HA2 GLY 24 1HA GLY 24 -5.959 0.939 -10.268 152 HA3 GLY 24 2HA GLY 24 -4.958 0.740 -8.837 153 HA PRO 25 HA PRO 25 -8.205 -2.654 -9.135 154 HB2 PRO 25 1HB PRO 25 -6.463 -4.726 -9.341 155 HB3 PRO 25 2HB PRO 25 -7.091 -3.857 -10.745 156 HG2 PRO 25 1HG PRO 25 -4.464 -3.547 -9.345 157 HG3 PRO 25 2HG PRO 25 -4.808 -3.579 -11.084 158 HD2 PRO 25 1HD PRO 25 -4.391 -1.276 -9.724 159 HD3 PRO 25 2HD PRO 25 -5.484 -1.376 -11.119 160 H GLY 26 H GLY 26 -5.500 -1.808 -7.224 161 HA2 GLY 26 1HA GLY 26 -5.379 -3.813 -5.312 162 HA3 GLY 26 2HA GLY 26 -5.042 -2.118 -4.996 163 H LEU 27 H LEU 27 -7.591 -1.051 -5.472 164 HA LEU 27 HA LEU 27 -8.892 -1.820 -3.005 165 HB2 LEU 27 1HB LEU 27 -9.604 0.300 -5.027 166 HB3 LEU 27 2HB LEU 27 -10.365 0.091 -3.450 167 HG LEU 27 HG LEU 27 -7.441 0.726 -3.802 168 HD11 LEU 27 1HD1 LEU 27 -8.268 2.672 -4.630 169 HD12 LEU 27 2HD1 LEU 27 -8.424 3.024 -2.909 170 HD13 LEU 27 3HD1 LEU 27 -9.828 2.483 -3.829 171 HD21 LEU 27 1HD2 LEU 27 -7.307 0.637 -1.581 172 HD22 LEU 27 2HD2 LEU 27 -8.879 -0.163 -1.612 173 HD23 LEU 27 3HD2 LEU 27 -8.782 1.583 -1.379 174 H LYS 28 H LYS 28 -8.954 -3.825 -4.996 175 HA LYS 28 HA LYS 28 -11.607 -3.798 -6.164 176 HB2 LYS 28 1HB LYS 28 -9.220 -5.577 -6.324 177 HB3 LYS 28 2HB LYS 28 -10.792 -6.267 -6.707 178 HG2 LYS 28 1HG LYS 28 -9.810 -3.746 -8.001 179 HG3 LYS 28 2HG LYS 28 -9.414 -5.345 -8.634 180 HD2 LYS 28 1HD LYS 28 -11.559 -5.762 -9.302 181 HD3 LYS 28 2HD LYS 28 -12.265 -4.754 -8.036 182 HE2 LYS 28 1HE LYS 28 -11.327 -2.764 -9.287 183 HE3 LYS 28 2HE LYS 28 -10.981 -3.874 -10.612 184 HZ1 LYS 28 1HZ LYS 28 -13.605 -3.061 -9.531 185 HZ2 LYS 28 2HZ LYS 28 -13.437 -4.485 -10.429 186 HZ3 LYS 28 3HZ LYS 28 -13.052 -2.994 -11.128 187 H ALA 29 H ALA 29 -13.267 -5.258 -5.662 188 HA ALA 29 HA ALA 29 -13.722 -5.752 -2.957 189 HB1 ALA 29 1HB ALA 29 -15.742 -5.901 -3.884 190 HB2 ALA 29 2HB ALA 29 -15.073 -6.307 -5.465 191 HB3 ALA 29 3HB ALA 29 -15.334 -7.574 -4.266 192 H ASP 30 H ASP 30 -13.054 -8.172 -5.498 193 HA ASP 30 HA ASP 30 -12.129 -10.005 -3.394 194 HB2 ASP 30 1HB ASP 30 -13.381 -10.408 -6.077 195 HB3 ASP 30 2HB ASP 30 -12.294 -11.650 -5.462 196 H VAL 31 H VAL 31 -10.058 -9.014 -3.227 197 HA VAL 31 HA VAL 31 -8.242 -8.353 -5.113 198 HB VAL 31 HB VAL 31 -6.448 -9.070 -3.588 199 HG11 VAL 31 1HG1 VAL 31 -8.463 -7.207 -3.095 200 HG12 VAL 31 2HG1 VAL 31 -8.207 -8.029 -1.555 201 HG13 VAL 31 3HG1 VAL 31 -6.854 -7.251 -2.376 202 HG21 VAL 31 1HG2 VAL 31 -7.425 -11.202 -2.885 203 HG22 VAL 31 2HG2 VAL 31 -6.979 -10.209 -1.498 204 HG23 VAL 31 3HG2 VAL 31 -8.669 -10.335 -1.985 205 H VAL 32 H VAL 32 -6.447 -9.450 -6.118 206 HA VAL 32 HA VAL 32 -7.226 -11.846 -7.431 207 HB VAL 32 HB VAL 32 -5.164 -11.731 -8.615 208 HG11 VAL 32 1HG1 VAL 32 -6.755 -10.027 -9.249 209 HG12 VAL 32 2HG1 VAL 32 -6.144 -8.947 -7.995 210 HG13 VAL 32 3HG1 VAL 32 -5.120 -9.378 -9.365 211 HG21 VAL 32 1HG2 VAL 32 -3.467 -9.923 -7.842 212 HG22 VAL 32 2HG2 VAL 32 -4.250 -10.109 -6.273 213 HG23 VAL 32 3HG2 VAL 32 -3.479 -11.496 -7.044 214 H LEU 33 H LEU 33 -6.459 -13.928 -7.232 215 HA LEU 33 HA LEU 33 -5.862 -14.893 -4.697 216 HB2 LEU 33 1HB LEU 33 -6.550 -16.023 -7.040 217 HB3 LEU 33 2HB LEU 33 -4.844 -16.459 -6.983 218 HG LEU 33 HG LEU 33 -5.351 -17.412 -4.662 219 HD11 LEU 33 1HD1 LEU 33 -7.631 -18.045 -4.220 220 HD12 LEU 33 2HD1 LEU 33 -8.167 -17.310 -5.730 221 HD13 LEU 33 3HD1 LEU 33 -7.544 -16.296 -4.429 222 HD21 LEU 33 1HD2 LEU 33 -6.648 -19.393 -5.923 223 HD22 LEU 33 2HD2 LEU 33 -4.917 -19.103 -6.097 224 HD23 LEU 33 3HD2 LEU 33 -6.040 -18.502 -7.318 225 HA PRO 34 HA PRO 34 -1.230 -15.158 -6.111 226 HB2 PRO 34 1HB PRO 34 -0.535 -13.639 -8.251 227 HB3 PRO 34 2HB PRO 34 -1.082 -15.314 -8.398 228 HG2 PRO 34 1HG PRO 34 -2.618 -12.777 -8.802 229 HG3 PRO 34 2HG PRO 34 -2.630 -14.259 -9.776 230 HD2 PRO 34 1HD PRO 34 -4.569 -13.683 -7.975 231 HD3 PRO 34 2HD PRO 34 -4.060 -15.346 -8.331 232 H ALA 35 H ALA 35 -1.358 -12.075 -7.694 233 HA ALA 35 HA ALA 35 -1.379 -10.446 -5.360 234 HB1 ALA 35 1HB ALA 35 0.893 -11.629 -5.294 235 HB2 ALA 35 2HB ALA 35 1.321 -10.596 -6.659 236 HB3 ALA 35 3HB ALA 35 0.872 -9.874 -5.113 237 H ARG 36 H ARG 36 -1.526 -8.276 -5.849 238 HA ARG 36 HA ARG 36 -1.327 -7.562 -8.700 239 HB2 ARG 36 1HB ARG 36 -3.700 -7.857 -7.664 240 HB3 ARG 36 2HB ARG 36 -3.370 -6.310 -6.895 241 HG2 ARG 36 1HG ARG 36 -4.507 -5.712 -8.817 242 HG3 ARG 36 2HG ARG 36 -2.817 -5.496 -9.276 243 HD2 ARG 36 1HD ARG 36 -3.079 -8.013 -10.040 244 HD3 ARG 36 2HD ARG 36 -4.779 -7.558 -10.138 245 HE ARG 36 HE ARG 36 -3.451 -5.578 -11.475 246 HH11 ARG 36 1HH1 ARG 36 -3.648 -9.044 -11.739 247 HH12 ARG 36 2HH1 ARG 36 -3.383 -9.059 -13.451 248 HH21 ARG 36 1HH2 ARG 36 -3.101 -5.585 -13.729 249 HH22 ARG 36 2HH2 ARG 36 -3.072 -7.092 -14.582 250 H TYR 37 H TYR 37 -0.729 -5.417 -9.171 251 HA TYR 37 HA TYR 37 0.510 -3.991 -6.908 252 HB2 TYR 37 1HB TYR 37 2.227 -3.209 -8.403 253 HB3 TYR 37 2HB TYR 37 2.110 -4.958 -8.570 254 HD1 TYR 37 2HD TYR 37 0.559 -5.797 -10.512 255 HD2 TYR 37 1HD TYR 37 2.242 -1.895 -10.311 256 HE1 TYR 37 2HE TYR 37 0.262 -5.550 -12.941 257 HE2 TYR 37 1HE TYR 37 1.949 -1.636 -12.739 258 HH TYR 37 HH TYR 37 0.026 -3.146 -14.530 259 H PHE 38 H PHE 38 0.345 -1.750 -6.819 260 HA PHE 38 HA PHE 38 -1.508 -0.506 -8.736 261 HB2 PHE 38 1HB PHE 38 -2.541 0.743 -6.873 262 HB3 PHE 38 2HB PHE 38 -2.759 -0.995 -6.700 263 HD1 PHE 38 1HD PHE 38 -1.009 -2.216 -5.216 264 HD2 PHE 38 2HD PHE 38 -1.746 1.974 -5.094 265 HE1 PHE 38 1HE PHE 38 -0.036 -2.114 -2.958 266 HE2 PHE 38 2HE PHE 38 -0.773 2.083 -2.837 267 HZ PHE 38 HZ PHE 38 0.084 0.038 -1.767 268 H TYR 39 H TYR 39 -1.525 2.021 -8.127 269 HA TYR 39 HA TYR 39 1.304 2.838 -7.970 270 HB2 TYR 39 1HB TYR 39 -0.800 4.346 -9.509 271 HB3 TYR 39 2HB TYR 39 0.951 4.480 -9.631 272 HD1 TYR 39 2HD TYR 39 2.078 2.060 -10.222 273 HD2 TYR 39 1HD TYR 39 -1.835 3.339 -11.297 274 HE1 TYR 39 2HE TYR 39 2.074 0.460 -12.089 275 HE2 TYR 39 1HE TYR 39 -1.850 1.741 -13.166 276 HH TYR 39 HH TYR 39 -0.284 -0.720 -13.495 277 H ILE 40 H ILE 40 1.720 4.947 -7.088 278 HA ILE 40 HA ILE 40 -0.445 6.002 -5.397 279 HB ILE 40 HB ILE 40 2.418 5.554 -4.546 280 HG12 ILE 40 1HG1 ILE 40 0.025 4.481 -3.111 281 HG13 ILE 40 2HG1 ILE 40 0.567 3.667 -4.574 282 HG21 ILE 40 1HG2 ILE 40 0.183 7.122 -3.332 283 HG22 ILE 40 2HG2 ILE 40 1.389 6.354 -2.301 284 HG23 ILE 40 3HG2 ILE 40 1.886 7.546 -3.502 285 HD11 ILE 40 1HD1 ILE 40 2.453 2.880 -3.601 286 HD12 ILE 40 2HD1 ILE 40 2.607 4.264 -2.517 287 HD13 ILE 40 3HD1 ILE 40 1.433 2.996 -2.167 288 H GLN 41 H GLN 41 -0.861 7.898 -6.373 289 HA GLN 41 HA GLN 41 1.316 9.551 -7.366 290 HB2 GLN 41 1HB GLN 41 -0.578 9.414 -8.815 291 HB3 GLN 41 2HB GLN 41 -1.687 9.804 -7.506 292 HG2 GLN 41 1HG GLN 41 -1.552 11.766 -8.736 293 HG3 GLN 41 2HG GLN 41 -0.462 12.041 -7.378 294 HE21 GLN 41 1HE2 GLN 41 1.308 13.051 -7.958 295 HE22 GLN 41 2HE2 GLN 41 2.157 12.857 -9.450 296 H ALA 42 H ALA 42 2.064 11.356 -6.416 297 HA ALA 42 HA ALA 42 1.111 11.965 -3.737 298 HB1 ALA 42 1HB ALA 42 3.260 13.642 -4.758 299 HB2 ALA 42 2HB ALA 42 3.200 12.628 -3.315 300 HB3 ALA 42 3HB ALA 42 3.614 11.918 -4.876 301 H VAL 43 H VAL 43 0.350 13.966 -3.062 302 HA VAL 43 HA VAL 43 -0.216 15.959 -5.142 303 HB VAL 43 HB VAL 43 -2.249 14.945 -3.150 304 HG11 VAL 43 1HG1 VAL 43 -2.528 17.310 -3.463 305 HG12 VAL 43 2HG1 VAL 43 -2.411 17.136 -5.215 306 HG13 VAL 43 3HG1 VAL 43 -3.799 16.470 -4.352 307 HG21 VAL 43 1HG2 VAL 43 -3.317 13.838 -4.861 308 HG22 VAL 43 2HG2 VAL 43 -2.595 14.849 -6.112 309 HG23 VAL 43 3HG2 VAL 43 -1.628 13.609 -5.314 310 H ASP 44 H ASP 44 -0.624 18.095 -4.335 311 HA ASP 44 HA ASP 44 0.916 18.664 -1.950 312 HB2 ASP 44 1HB ASP 44 1.004 19.971 -4.165 313 HB3 ASP 44 2HB ASP 44 -0.512 20.703 -3.644 314 H THR 45 H THR 45 -0.007 20.567 -0.569 315 HA THR 45 HA THR 45 -2.252 19.566 0.818 316 HB THR 45 HB THR 45 -1.996 21.336 2.319 317 HG1 THR 45 1HG THR 45 -0.487 22.927 0.553 318 HG21 THR 45 1HG2 THR 45 0.225 19.956 1.533 319 HG22 THR 45 2HG2 THR 45 0.146 21.023 2.935 320 HG23 THR 45 3HG2 THR 45 0.775 21.625 1.401 321 H SER 46 H SER 46 -2.040 21.407 -1.999 322 HA SER 46 HA SER 46 -4.645 22.679 -1.613 323 HB2 SER 46 1HB SER 46 -2.689 22.918 -3.913 324 HB3 SER 46 2HB SER 46 -4.160 23.868 -3.706 325 HG SER 46 HG SER 46 -1.821 23.894 -2.112 326 H GLY 47 H GLY 47 -3.031 20.254 -3.596 327 HA2 GLY 47 1HA GLY 47 -4.544 18.326 -4.133 328 HA3 GLY 47 2HA GLY 47 -5.664 19.540 -4.732 329 H ASN 48 H ASN 48 -2.203 19.738 -5.216 330 HA ASN 48 HA ASN 48 -2.657 19.311 -8.094 331 HB2 ASN 48 1HB ASN 48 -0.707 20.751 -8.481 332 HB3 ASN 48 2HB ASN 48 -1.931 21.590 -7.531 333 HD21 ASN 48 1HD2 ASN 48 -1.337 22.494 -5.685 334 HD22 ASN 48 2HD2 ASN 48 0.169 22.234 -4.878 335 H LYS 49 H LYS 49 -1.268 18.010 -9.262 336 HA LYS 49 HA LYS 49 -0.049 15.870 -7.848 337 HB2 LYS 49 1HB LYS 49 0.269 16.601 -10.764 338 HB3 LYS 49 2HB LYS 49 0.599 15.034 -10.036 339 HG2 LYS 49 1HG LYS 49 -1.610 14.486 -9.875 340 HG3 LYS 49 2HG LYS 49 -2.133 16.167 -9.753 341 HD2 LYS 49 1HD LYS 49 -0.912 15.147 -12.289 342 HD3 LYS 49 2HD LYS 49 -2.611 14.830 -11.930 343 HE2 LYS 49 1HE LYS 49 -2.759 16.800 -13.109 344 HE3 LYS 49 2HE LYS 49 -2.690 17.395 -11.451 345 HZ1 LYS 49 1HZ LYS 49 -0.162 17.060 -12.881 346 HZ2 LYS 49 2HZ LYS 49 -0.608 18.219 -11.733 347 HZ3 LYS 49 3HZ LYS 49 -1.146 18.360 -13.330 348 H PHE 50 H PHE 50 2.175 15.230 -7.896 349 HA PHE 50 HA PHE 50 3.972 17.522 -7.706 350 HB2 PHE 50 1HB PHE 50 3.942 14.758 -6.609 351 HB3 PHE 50 2HB PHE 50 5.516 15.494 -6.894 352 HD1 PHE 50 1HD PHE 50 2.366 17.105 -5.771 353 HD2 PHE 50 2HD PHE 50 6.328 15.924 -4.761 354 HE1 PHE 50 1HE PHE 50 2.180 18.317 -3.638 355 HE2 PHE 50 2HE PHE 50 6.148 17.133 -2.626 356 HZ PHE 50 HZ PHE 50 4.072 18.331 -2.062 357 H THR 51 H THR 51 3.778 14.368 -9.317 358 HA THR 51 HA THR 51 4.911 13.484 -11.091 359 HB THR 51 HB THR 51 5.171 14.939 -13.040 360 HG1 THR 51 1HG THR 51 4.323 17.108 -11.413 361 HG21 THR 51 1HG2 THR 51 2.635 15.990 -11.963 362 HG22 THR 51 2HG2 THR 51 2.830 14.239 -11.878 363 HG23 THR 51 3HG2 THR 51 2.948 15.065 -13.431 364 H SER 52 H SER 52 6.506 14.532 -8.805 365 HA SER 52 HA SER 52 9.069 14.803 -10.230 366 HB2 SER 52 1HB SER 52 8.149 16.894 -8.969 367 HB3 SER 52 2HB SER 52 8.649 16.026 -7.519 368 HG SER 52 HG SER 52 10.404 16.408 -9.698 369 H SER 53 H SER 53 10.927 14.379 -8.529 370 HA SER 53 HA SER 53 10.346 11.743 -7.400 371 HB2 SER 53 1HB SER 53 12.219 11.725 -8.885 372 HB3 SER 53 2HB SER 53 12.932 13.137 -8.106 373 HG SER 53 HG SER 53 12.476 10.720 -6.712 374 HA PRO 54 HA PRO 54 10.248 13.888 -3.439 375 HB2 PRO 54 1HB PRO 54 9.242 11.771 -2.070 376 HB3 PRO 54 2HB PRO 54 8.239 12.843 -3.054 377 HG2 PRO 54 1HG PRO 54 9.361 10.151 -3.728 378 HG3 PRO 54 2HG PRO 54 7.741 10.799 -4.044 379 HD2 PRO 54 1HD PRO 54 9.666 10.698 -5.945 380 HD3 PRO 54 2HD PRO 54 8.438 11.978 -5.898 381 H GLY 55 H GLY 55 11.264 10.472 -3.716 382 HA2 GLY 55 1HA GLY 55 13.897 10.786 -2.964 383 HA3 GLY 55 2HA GLY 55 13.006 10.619 -1.459 384 H GLU 56 H GLU 56 15.001 8.827 -2.481 385 HA GLU 56 HA GLU 56 14.311 6.604 -3.818 386 HB2 GLU 56 1HB GLU 56 16.464 6.985 -2.592 387 HB3 GLU 56 2HB GLU 56 15.651 6.493 -1.113 388 HG2 GLU 56 1HG GLU 56 15.485 4.290 -1.776 389 HG3 GLU 56 2HG GLU 56 15.646 4.685 -3.486 390 H LYS 57 H LYS 57 13.573 7.071 -0.362 391 HA LYS 57 HA LYS 57 11.236 5.327 -0.706 392 HB2 LYS 57 1HB LYS 57 13.234 5.161 1.557 393 HB3 LYS 57 2HB LYS 57 11.704 4.297 1.503 394 HG2 LYS 57 1HG LYS 57 13.591 3.948 -0.764 395 HG3 LYS 57 2HG LYS 57 13.964 3.162 0.772 396 HD2 LYS 57 1HD LYS 57 11.262 2.903 -0.512 397 HD3 LYS 57 2HD LYS 57 12.601 1.842 -0.956 398 HE2 LYS 57 1HE LYS 57 12.820 1.424 1.576 399 HE3 LYS 57 2HE LYS 57 11.201 2.112 1.683 400 HZ1 LYS 57 1HZ LYS 57 10.287 0.368 0.522 401 HZ2 LYS 57 2HZ LYS 57 11.493 -0.425 1.404 402 HZ3 LYS 57 3HZ LYS 57 11.742 -0.059 -0.228 403 H VAL 58 H VAL 58 9.618 6.741 -0.438 404 HA VAL 58 HA VAL 58 9.637 8.385 2.007 405 HB VAL 58 HB VAL 58 8.272 10.070 0.752 406 HG11 VAL 58 1HG1 VAL 58 10.384 10.870 1.026 407 HG12 VAL 58 2HG1 VAL 58 11.133 9.480 0.237 408 HG13 VAL 58 3HG1 VAL 58 10.370 10.741 -0.733 409 HG21 VAL 58 1HG2 VAL 58 7.612 9.737 -1.347 410 HG22 VAL 58 2HG2 VAL 58 9.251 9.340 -1.865 411 HG23 VAL 58 3HG2 VAL 58 8.207 8.083 -1.200 412 H PHE 59 H PHE 59 7.813 6.471 -0.281 413 HA PHE 59 HA PHE 59 5.476 6.592 1.506 414 HB2 PHE 59 1HB PHE 59 5.752 6.211 -1.450 415 HB3 PHE 59 2HB PHE 59 4.360 5.522 -0.620 416 HD1 PHE 59 1HD PHE 59 3.324 7.319 1.163 417 HD2 PHE 59 2HD PHE 59 5.369 8.222 -2.459 418 HE1 PHE 59 1HE PHE 59 2.187 9.499 1.069 419 HE2 PHE 59 2HE PHE 59 4.236 10.404 -2.558 420 HZ PHE 59 HZ PHE 59 2.644 11.046 -0.793 421 H GLN 60 H GLN 60 4.792 4.793 2.505 422 HA GLN 60 HA GLN 60 6.065 2.244 1.754 423 HB2 GLN 60 1HB GLN 60 5.632 3.519 4.409 424 HB3 GLN 60 2HB GLN 60 5.483 1.770 4.311 425 HG2 GLN 60 1HG GLN 60 7.712 1.500 3.662 426 HG3 GLN 60 2HG GLN 60 7.884 3.201 3.236 427 HE21 GLN 60 1HE2 GLN 60 8.529 0.901 5.530 428 HE22 GLN 60 2HE2 GLN 60 8.867 1.935 6.872 429 H VAL 61 H VAL 61 4.819 0.341 1.981 430 HA VAL 61 HA VAL 61 1.935 0.730 2.378 431 HB VAL 61 HB VAL 61 3.134 -0.828 0.083 432 HG11 VAL 61 1HG1 VAL 61 0.935 -1.597 1.206 433 HG12 VAL 61 2HG1 VAL 61 0.232 -0.178 0.429 434 HG13 VAL 61 3HG1 VAL 61 0.986 -1.437 -0.549 435 HG21 VAL 61 1HG2 VAL 61 1.905 1.894 0.270 436 HG22 VAL 61 2HG2 VAL 61 3.369 1.385 -0.572 437 HG23 VAL 61 3HG2 VAL 61 1.785 0.960 -1.222 438 H LYS 62 H LYS 62 1.012 -0.791 3.606 439 HA LYS 62 HA LYS 62 2.574 -3.222 4.185 440 HB2 LYS 62 1HB LYS 62 2.355 -1.742 6.125 441 HB3 LYS 62 2HB LYS 62 0.605 -1.757 5.952 442 HG2 LYS 62 1HG LYS 62 0.847 -3.315 7.589 443 HG3 LYS 62 2HG LYS 62 0.946 -4.361 6.170 444 HD2 LYS 62 1HD LYS 62 3.395 -4.254 6.274 445 HD3 LYS 62 2HD LYS 62 3.285 -3.223 7.703 446 HE2 LYS 62 1HE LYS 62 2.350 -4.967 9.001 447 HE3 LYS 62 2HE LYS 62 2.052 -5.964 7.578 448 HZ1 LYS 62 1HZ LYS 62 4.235 -6.572 7.431 449 HZ2 LYS 62 2HZ LYS 62 4.094 -6.414 9.109 450 HZ3 LYS 62 3HZ LYS 62 4.810 -5.179 8.200 451 H VAL 63 H VAL 63 1.583 -5.196 4.109 452 HA VAL 63 HA VAL 63 -1.249 -5.234 3.294 453 HB VAL 63 HB VAL 63 0.936 -7.035 2.237 454 HG11 VAL 63 1HG1 VAL 63 -1.199 -7.387 0.604 455 HG12 VAL 63 2HG1 VAL 63 -0.802 -8.437 1.966 456 HG13 VAL 63 3HG1 VAL 63 -1.998 -7.154 2.158 457 HG21 VAL 63 1HG2 VAL 63 1.335 -5.235 0.940 458 HG22 VAL 63 2HG2 VAL 63 -0.095 -5.791 0.071 459 HG23 VAL 63 3HG2 VAL 63 -0.238 -4.511 1.276 460 H SER 64 H SER 64 -2.516 -6.460 4.523 461 HA SER 64 HA SER 64 -1.504 -8.862 5.790 462 HB2 SER 64 1HB SER 64 -1.007 -6.923 7.361 463 HB3 SER 64 2HB SER 64 -2.752 -6.734 7.534 464 HG SER 64 HG SER 64 -1.303 -9.113 8.087 465 H ALA 65 H ALA 65 -3.212 -10.156 6.759 466 HA ALA 65 HA ALA 65 -5.680 -9.900 5.258 467 HB1 ALA 65 1HB ALA 65 -6.088 -12.111 6.701 468 HB2 ALA 65 2HB ALA 65 -5.142 -12.099 5.212 469 HB3 ALA 65 3HB ALA 65 -4.327 -12.047 6.776 470 HA PRO 66 HA PRO 66 -7.967 -7.995 8.515 471 HB2 PRO 66 1HB PRO 66 -10.464 -8.587 7.631 472 HB3 PRO 66 2HB PRO 66 -9.449 -7.350 6.882 473 HG2 PRO 66 1HG PRO 66 -9.935 -10.176 6.024 474 HG3 PRO 66 2HG PRO 66 -9.865 -8.704 5.038 475 HD2 PRO 66 1HD PRO 66 -7.789 -10.432 5.225 476 HD3 PRO 66 2HD PRO 66 -7.561 -8.686 5.004 477 H GLU 67 H GLU 67 -9.222 -11.174 7.474 478 HA GLU 67 HA GLU 67 -9.978 -11.753 10.238 479 HB2 GLU 67 1HB GLU 67 -11.374 -13.449 9.402 480 HB3 GLU 67 2HB GLU 67 -11.530 -12.136 8.243 481 HG2 GLU 67 1HG GLU 67 -9.567 -14.351 7.809 482 HG3 GLU 67 2HG GLU 67 -11.263 -14.532 7.367 483 H GLU 68 H GLU 68 -7.824 -12.849 7.693 484 HA GLU 68 HA GLU 68 -6.894 -15.125 9.204 485 HB2 GLU 68 1HB GLU 68 -6.996 -14.762 6.596 486 HB3 GLU 68 2HB GLU 68 -5.416 -14.033 6.846 487 HG2 GLU 68 1HG GLU 68 -4.811 -16.181 6.403 488 HG3 GLU 68 2HG GLU 68 -4.946 -16.250 8.159 489 H GLN 69 H GLN 69 -5.237 -15.185 10.584 490 HA GLN 69 HA GLN 69 -4.102 -13.014 11.771 491 HB2 GLN 69 1HB GLN 69 -3.925 -15.561 12.320 492 HB3 GLN 69 2HB GLN 69 -2.436 -15.476 11.389 493 HG2 GLN 69 1HG GLN 69 -1.469 -13.938 12.898 494 HG3 GLN 69 2HG GLN 69 -3.010 -13.654 13.705 495 HE21 GLN 69 1HE2 GLN 69 -0.387 -14.577 14.719 496 HE22 GLN 69 2HE2 GLN 69 -0.713 -16.061 15.540 497 H PHE 70 H PHE 70 -1.772 -12.326 11.758 498 HA PHE 70 HA PHE 70 -1.074 -11.017 9.480 499 HB2 PHE 70 1HB PHE 70 0.042 -10.542 11.563 500 HB3 PHE 70 2HB PHE 70 0.757 -12.150 11.601 501 HD1 PHE 70 2HD PHE 70 0.756 -8.942 9.756 502 HD2 PHE 70 1HD PHE 70 2.808 -12.583 10.560 503 HE1 PHE 70 2HE PHE 70 2.735 -8.083 8.575 504 HE2 PHE 70 1HE PHE 70 4.791 -11.730 9.380 505 HZ PHE 70 HZ PHE 70 4.757 -9.477 8.385 506 H THR 71 H THR 71 0.231 -11.373 7.700 507 HA THR 71 HA THR 71 0.980 -14.180 7.200 508 HB THR 71 HB THR 71 -0.984 -13.456 5.848 509 HG1 THR 71 1HG THR 71 0.209 -13.956 3.747 510 HG21 THR 71 1HG2 THR 71 0.998 -11.425 4.853 511 HG22 THR 71 2HG2 THR 71 -0.638 -11.163 5.456 512 HG23 THR 71 3HG2 THR 71 -0.388 -11.925 3.886 513 H ARG 72 H ARG 72 2.636 -14.370 5.402 514 HA ARG 72 HA ARG 72 4.723 -12.358 5.863 515 HB2 ARG 72 1HB ARG 72 4.906 -15.203 4.858 516 HB3 ARG 72 2HB ARG 72 6.276 -14.112 5.016 517 HG2 ARG 72 1HG ARG 72 5.851 -13.963 7.434 518 HG3 ARG 72 2HG ARG 72 4.526 -15.114 7.251 519 HD2 ARG 72 1HD ARG 72 6.216 -16.535 7.853 520 HD3 ARG 72 2HD ARG 72 6.391 -16.568 6.099 521 HE ARG 72 HE ARG 72 8.471 -15.704 6.390 522 HH11 ARG 72 1HH1 ARG 72 6.507 -14.744 9.100 523 HH12 ARG 72 2HH1 ARG 72 7.796 -13.915 9.907 524 HH21 ARG 72 1HH2 ARG 72 10.177 -14.616 7.444 525 HH22 ARG 72 2HH2 ARG 72 9.883 -13.842 8.964 526 H VAL 73 H VAL 73 4.532 -10.801 4.356 527 HA VAL 73 HA VAL 73 4.450 -11.651 1.533 528 HB VAL 73 HB VAL 73 3.303 -9.107 2.692 529 HG11 VAL 73 1HG1 VAL 73 2.368 -8.824 0.401 530 HG12 VAL 73 2HG1 VAL 73 4.128 -8.706 0.476 531 HG13 VAL 73 3HG1 VAL 73 3.367 -10.180 -0.124 532 HG21 VAL 73 1HG2 VAL 73 2.207 -11.652 2.712 533 HG22 VAL 73 2HG2 VAL 73 1.335 -10.132 2.911 534 HG23 VAL 73 3HG2 VAL 73 1.463 -10.873 1.316 535 H GLY 74 H GLY 74 6.104 -11.020 0.297 536 HA2 GLY 74 1HA GLY 74 8.135 -9.294 1.484 537 HA3 GLY 74 2HA GLY 74 8.319 -10.277 0.039 538 H VAL 75 H VAL 75 6.667 -7.386 1.269 539 HA VAL 75 HA VAL 75 6.061 -6.360 -1.320 540 HB VAL 75 HB VAL 75 6.152 -4.981 1.365 541 HG11 VAL 75 1HG1 VAL 75 4.963 -3.151 0.354 542 HG12 VAL 75 2HG1 VAL 75 6.457 -3.424 -0.545 543 HG13 VAL 75 3HG1 VAL 75 4.917 -3.985 -1.199 544 HG21 VAL 75 1HG2 VAL 75 4.115 -6.535 -0.109 545 HG22 VAL 75 2HG2 VAL 75 4.363 -6.349 1.627 546 HG23 VAL 75 3HG2 VAL 75 3.556 -5.076 0.710 547 H GLN 76 H GLN 76 7.256 -5.159 -2.661 548 HA GLN 76 HA GLN 76 9.697 -3.890 -1.635 549 HB2 GLN 76 1HB GLN 76 10.364 -5.997 -2.676 550 HB3 GLN 76 2HB GLN 76 9.504 -5.562 -4.146 551 HG2 GLN 76 1HG GLN 76 11.020 -3.681 -4.483 552 HG3 GLN 76 2HG GLN 76 11.880 -4.109 -3.005 553 HE21 GLN 76 1HE2 GLN 76 13.774 -4.923 -3.532 554 HE22 GLN 76 2HE2 GLN 76 14.071 -6.093 -4.767 555 H VAL 77 H VAL 77 9.462 -1.785 -1.964 556 HA VAL 77 HA VAL 77 7.826 -0.807 -4.162 557 HB VAL 77 HB VAL 77 7.590 0.188 -1.907 558 HG11 VAL 77 1HG1 VAL 77 10.249 1.513 -2.334 559 HG12 VAL 77 2HG1 VAL 77 9.274 1.431 -0.864 560 HG13 VAL 77 3HG1 VAL 77 10.105 -0.009 -1.455 561 HG21 VAL 77 1HG2 VAL 77 7.171 2.297 -2.702 562 HG22 VAL 77 2HG2 VAL 77 8.675 2.371 -3.621 563 HG23 VAL 77 3HG2 VAL 77 7.321 1.413 -4.221 564 H LEU 78 H LEU 78 8.644 -0.227 -6.056 565 HA LEU 78 HA LEU 78 11.492 0.516 -6.190 566 HB2 LEU 78 1HB LEU 78 10.794 -1.676 -7.262 567 HB3 LEU 78 2HB LEU 78 9.907 -0.705 -8.434 568 HG LEU 78 HG LEU 78 12.192 0.429 -8.871 569 HD11 LEU 78 1HD1 LEU 78 12.919 -1.521 -6.915 570 HD12 LEU 78 2HD1 LEU 78 13.924 -0.305 -7.702 571 HD13 LEU 78 3HD1 LEU 78 13.724 -1.894 -8.440 572 HD21 LEU 78 1HD2 LEU 78 11.018 -0.968 -10.485 573 HD22 LEU 78 2HD2 LEU 78 11.664 -2.419 -9.718 574 HD23 LEU 78 3HD2 LEU 78 12.752 -1.287 -10.524 575 H ASP 79 H ASP 79 12.088 2.171 -7.630 576 HA ASP 79 HA ASP 79 9.966 4.108 -8.106 577 HB2 ASP 79 1HB ASP 79 12.977 4.306 -8.293 578 HB3 ASP 79 2HB ASP 79 11.884 5.632 -8.680 579 H ARG 80 H ARG 80 8.861 3.605 -9.922 580 HA ARG 80 HA ARG 80 10.166 2.625 -12.288 581 HB2 ARG 80 1HB ARG 80 7.326 3.502 -11.753 582 HB3 ARG 80 2HB ARG 80 7.875 2.861 -13.295 583 HG2 ARG 80 1HG ARG 80 8.192 1.333 -10.734 584 HG3 ARG 80 2HG ARG 80 6.722 1.252 -11.707 585 HD2 ARG 80 1HD ARG 80 9.482 0.662 -12.764 586 HD3 ARG 80 2HD ARG 80 8.377 -0.570 -12.155 587 HE ARG 80 HE ARG 80 7.049 -0.291 -14.045 588 HH11 ARG 80 1HH1 ARG 80 9.682 1.986 -14.005 589 HH12 ARG 80 2HH1 ARG 80 9.489 2.437 -15.667 590 HH21 ARG 80 1HH2 ARG 80 6.785 0.295 -16.234 591 HH22 ARG 80 2HH2 ARG 80 7.840 1.475 -16.933 592 H LYS 81 H LYS 81 8.286 5.574 -11.576 593 HA LYS 81 HA LYS 81 9.908 6.975 -13.597 594 HB2 LYS 81 1HB LYS 81 6.976 7.428 -13.014 595 HB3 LYS 81 2HB LYS 81 7.943 8.307 -14.190 596 HG2 LYS 81 1HG LYS 81 7.639 5.336 -14.371 597 HG3 LYS 81 2HG LYS 81 6.403 6.421 -15.011 598 HD2 LYS 81 1HD LYS 81 8.390 7.575 -16.212 599 HD3 LYS 81 2HD LYS 81 9.248 6.068 -15.881 600 HE2 LYS 81 1HE LYS 81 8.333 5.793 -18.026 601 HE3 LYS 81 2HE LYS 81 7.265 4.889 -16.954 602 HZ1 LYS 81 1HZ LYS 81 6.781 7.538 -18.187 603 HZ2 LYS 81 2HZ LYS 81 5.841 6.943 -16.913 604 HZ3 LYS 81 3HZ LYS 81 5.885 6.116 -18.388 605 H ASP 82 H ASP 82 9.325 9.505 -13.277 606 HA ASP 82 HA ASP 82 10.136 10.064 -10.521 607 HB2 ASP 82 1HB ASP 82 10.331 11.616 -13.094 608 HB3 ASP 82 2HB ASP 82 10.578 12.394 -11.533 609 H GLY 83 H GLY 83 7.502 9.381 -10.673 610 HA2 GLY 83 1HA GLY 83 6.244 11.765 -9.667 611 HA3 GLY 83 2HA GLY 83 5.563 11.224 -11.194 612 H SER 84 H SER 84 5.907 8.413 -10.695 613 HA SER 84 HA SER 84 4.045 8.003 -8.452 614 HB2 SER 84 1HB SER 84 2.782 6.401 -9.771 615 HB3 SER 84 2HB SER 84 2.846 7.937 -10.634 616 HG SER 84 HG SER 84 4.739 6.950 -11.736 617 H PHE 85 H PHE 85 3.984 5.748 -7.675 618 HA PHE 85 HA PHE 85 6.580 4.405 -8.052 619 HB2 PHE 85 1HB PHE 85 5.019 4.964 -5.550 620 HB3 PHE 85 2HB PHE 85 6.114 3.587 -5.621 621 HD1 PHE 85 2HD PHE 85 6.019 7.258 -6.227 622 HD2 PHE 85 1HD PHE 85 8.344 3.875 -5.101 623 HE1 PHE 85 2HE PHE 85 7.908 8.739 -5.689 624 HE2 PHE 85 1HE PHE 85 10.236 5.351 -4.560 625 HZ PHE 85 HZ PHE 85 10.020 7.787 -4.856 626 H ILE 86 H ILE 86 6.533 2.064 -7.466 627 HA ILE 86 HA ILE 86 3.925 0.857 -8.121 628 HB ILE 86 HB ILE 86 5.464 0.715 -10.041 629 HG12 ILE 86 1HG1 ILE 86 5.247 -2.055 -8.902 630 HG13 ILE 86 2HG1 ILE 86 3.793 -1.140 -9.287 631 HG21 ILE 86 1HG2 ILE 86 7.200 -1.073 -8.362 632 HG22 ILE 86 2HG2 ILE 86 7.525 -0.423 -9.968 633 HG23 ILE 86 3HG2 ILE 86 7.528 0.648 -8.567 634 HD11 ILE 86 1HD1 ILE 86 5.539 -2.604 -11.022 635 HD12 ILE 86 2HD1 ILE 86 3.969 -1.876 -11.362 636 HD13 ILE 86 3HD1 ILE 86 5.440 -0.919 -11.532 637 H VAL 87 H VAL 87 3.232 -0.701 -6.792 638 HA VAL 87 HA VAL 87 5.113 -1.704 -4.758 639 HB VAL 87 HB VAL 87 2.106 -1.535 -4.537 640 HG11 VAL 87 1HG1 VAL 87 2.271 -2.662 -2.621 641 HG12 VAL 87 2HG1 VAL 87 3.908 -3.090 -3.125 642 HG13 VAL 87 3HG1 VAL 87 3.641 -1.693 -2.082 643 HG21 VAL 87 1HG2 VAL 87 2.422 0.646 -4.188 644 HG22 VAL 87 2HG2 VAL 87 3.203 0.186 -2.675 645 HG23 VAL 87 3HG2 VAL 87 4.175 0.462 -4.121 646 H ARG 88 H ARG 88 5.709 -3.740 -5.049 647 HA ARG 88 HA ARG 88 3.734 -5.651 -6.103 648 HB2 ARG 88 1HB ARG 88 5.645 -6.822 -7.230 649 HB3 ARG 88 2HB ARG 88 5.255 -5.245 -7.904 650 HG2 ARG 88 1HG ARG 88 7.113 -4.297 -6.511 651 HG3 ARG 88 2HG ARG 88 7.564 -5.957 -6.116 652 HD2 ARG 88 1HD ARG 88 7.332 -4.901 -8.928 653 HD3 ARG 88 2HD ARG 88 8.841 -4.938 -8.016 654 HE ARG 88 HE ARG 88 7.974 -7.498 -7.889 655 HH11 ARG 88 1HH1 ARG 88 8.485 -5.267 -10.512 656 HH12 ARG 88 2HH1 ARG 88 8.880 -6.503 -11.660 657 HH21 ARG 88 1HH2 ARG 88 8.492 -9.135 -9.391 658 HH22 ARG 88 2HH2 ARG 88 8.883 -8.703 -11.021 659 H TYR 89 H TYR 89 4.029 -7.852 -5.427 660 HA TYR 89 HA TYR 89 5.940 -8.454 -3.355 661 HB2 TYR 89 1HB TYR 89 4.041 -9.148 -1.764 662 HB3 TYR 89 2HB TYR 89 4.426 -7.434 -1.878 663 HD1 TYR 89 1HD TYR 89 2.894 -5.886 -2.984 664 HD2 TYR 89 2HD TYR 89 1.945 -10.015 -2.601 665 HE1 TYR 89 1HE TYR 89 0.550 -5.392 -3.542 666 HE2 TYR 89 2HE TYR 89 -0.401 -9.534 -3.159 667 HH TYR 89 HH TYR 89 -1.906 -7.161 -2.892 668 H ARG 90 H ARG 90 5.898 -10.703 -2.719 669 HA ARG 90 HA ARG 90 4.617 -12.398 -4.758 670 HB2 ARG 90 1HB ARG 90 7.033 -12.472 -4.905 671 HB3 ARG 90 2HB ARG 90 7.162 -12.824 -3.187 672 HG2 ARG 90 1HG ARG 90 5.580 -14.690 -4.863 673 HG3 ARG 90 2HG ARG 90 7.337 -14.712 -5.027 674 HD2 ARG 90 1HD ARG 90 5.960 -14.870 -2.359 675 HD3 ARG 90 2HD ARG 90 6.315 -16.302 -3.325 676 HE ARG 90 HE ARG 90 8.141 -14.857 -1.719 677 HH11 ARG 90 1HH1 ARG 90 7.903 -16.542 -4.757 678 HH12 ARG 90 2HH1 ARG 90 9.582 -16.966 -4.802 679 HH21 ARG 90 1HH2 ARG 90 10.354 -15.410 -1.768 680 HH22 ARG 90 2HH2 ARG 90 10.975 -16.322 -3.101 681 H MET 91 H MET 91 3.291 -14.008 -4.142 682 HA MET 91 HA MET 91 3.108 -14.610 -1.264 683 HB2 MET 91 1HB MET 91 1.215 -13.207 -2.034 684 HB3 MET 91 2HB MET 91 0.802 -14.445 -3.213 685 HG2 MET 91 1HG MET 91 0.709 -15.991 -1.107 686 HG3 MET 91 2HG MET 91 0.493 -14.464 -0.255 687 HE1 MET 91 1HE MET 91 -0.787 -12.792 -2.384 688 HE2 MET 91 2HE MET 91 -2.513 -13.103 -2.571 689 HE3 MET 91 3HE MET 91 -1.850 -12.738 -0.978 690 H TYR 92 H TYR 92 1.663 -15.891 -4.262 691 HA TYR 92 HA TYR 92 1.560 -17.992 -5.126 692 HB2 TYR 92 1HB TYR 92 4.187 -18.032 -3.693 693 HB3 TYR 92 2HB TYR 92 3.551 -19.532 -4.357 694 HD1 TYR 92 1HD TYR 92 3.798 -15.985 -5.532 695 HD2 TYR 92 2HD TYR 92 4.483 -20.098 -6.380 696 HE1 TYR 92 1HE TYR 92 4.685 -15.375 -7.743 697 HE2 TYR 92 2HE TYR 92 5.373 -19.499 -8.594 698 HH TYR 92 HH TYR 92 5.786 -16.125 -9.557 699 H ALA 93 H ALA 93 -0.218 -17.700 -3.228 700 HA ALA 93 HA ALA 93 -0.581 -20.315 -2.190 701 HB1 ALA 93 1HB ALA 93 -0.745 -19.269 0.260 702 HB2 ALA 93 2HB ALA 93 0.730 -20.008 -0.365 703 HB3 ALA 93 3HB ALA 93 0.545 -18.255 -0.388 704 H SER 94 H SER 94 -2.694 -20.692 -1.675 705 HA SER 94 HA SER 94 -4.691 -19.086 -2.651 706 HB2 SER 94 1HB SER 94 -4.847 -21.087 -0.386 707 HB3 SER 94 2HB SER 94 -6.250 -20.404 -1.208 708 HG SER 94 HG SER 94 -5.791 -22.320 -2.210 709 H TYR 95 H TYR 95 -5.657 -17.267 -2.033 710 HA TYR 95 HA TYR 95 -5.438 -16.436 0.782 711 HB2 TYR 95 1HB TYR 95 -3.948 -15.255 -1.104 712 HB3 TYR 95 2HB TYR 95 -5.426 -14.323 -1.310 713 HD1 TYR 95 1HD TYR 95 -3.035 -15.438 1.326 714 HD2 TYR 95 2HD TYR 95 -5.820 -12.483 0.054 715 HE1 TYR 95 1HE TYR 95 -2.405 -14.028 3.241 716 HE2 TYR 95 2HE TYR 95 -5.197 -11.065 1.964 717 HH TYR 95 HH TYR 95 -2.794 -12.145 4.348 718 H LYS 96 H LYS 96 -7.173 -15.294 1.624 719 HA LYS 96 HA LYS 96 -9.660 -15.593 0.128 720 HB2 LYS 96 1HB LYS 96 -9.103 -14.933 3.023 721 HB3 LYS 96 2HB LYS 96 -10.718 -15.000 2.329 722 HG2 LYS 96 1HG LYS 96 -8.939 -17.360 2.010 723 HG3 LYS 96 2HG LYS 96 -9.679 -17.059 3.584 724 HD2 LYS 96 1HD LYS 96 -11.305 -17.073 1.059 725 HD3 LYS 96 2HD LYS 96 -10.937 -18.565 1.929 726 HE2 LYS 96 1HE LYS 96 -12.158 -17.917 3.801 727 HE3 LYS 96 2HE LYS 96 -12.111 -16.211 3.361 728 HZ1 LYS 96 1HZ LYS 96 -14.299 -17.130 2.986 729 HZ2 LYS 96 2HZ LYS 96 -13.666 -18.327 1.973 730 HZ3 LYS 96 3HZ LYS 96 -13.599 -16.702 1.507 731 H ASN 97 H ASN 97 -8.681 -13.087 2.449 732 HA ASN 97 HA ASN 97 -9.343 -11.049 0.436 733 HB2 ASN 97 1HB ASN 97 -10.085 -10.766 3.346 734 HB3 ASN 97 2HB ASN 97 -10.618 -9.779 1.987 735 HD21 ASN 97 1HD2 ASN 97 -11.882 -11.651 4.103 736 HD22 ASN 97 2HD2 ASN 97 -13.016 -12.567 3.174 737 H LEU 98 H LEU 98 -8.180 -9.129 0.551 738 HA LEU 98 HA LEU 98 -5.834 -9.214 2.329 739 HB2 LEU 98 1HB LEU 98 -6.203 -8.148 -0.452 740 HB3 LEU 98 2HB LEU 98 -4.853 -7.641 0.562 741 HG LEU 98 HG LEU 98 -5.343 -10.543 -0.020 742 HD11 LEU 98 1HD1 LEU 98 -4.896 -8.661 -2.010 743 HD12 LEU 98 2HD1 LEU 98 -4.638 -10.402 -2.122 744 HD13 LEU 98 3HD1 LEU 98 -3.303 -9.340 -1.675 745 HD21 LEU 98 1HD2 LEU 98 -2.749 -9.102 0.436 746 HD22 LEU 98 2HD2 LEU 98 -3.098 -10.824 0.593 747 HD23 LEU 98 3HD2 LEU 98 -3.744 -9.681 1.772 748 H LYS 99 H LYS 99 -4.988 -7.145 3.058 749 HA LYS 99 HA LYS 99 -7.026 -5.025 3.183 750 HB2 LYS 99 1HB LYS 99 -6.851 -6.424 5.296 751 HB3 LYS 99 2HB LYS 99 -5.231 -5.768 5.492 752 HG2 LYS 99 1HG LYS 99 -6.446 -3.469 5.281 753 HG3 LYS 99 2HG LYS 99 -7.870 -4.407 5.737 754 HD2 LYS 99 1HD LYS 99 -5.352 -4.664 7.326 755 HD3 LYS 99 2HD LYS 99 -6.405 -3.270 7.576 756 HE2 LYS 99 1HE LYS 99 -8.296 -4.942 7.862 757 HE3 LYS 99 2HE LYS 99 -7.049 -6.185 7.948 758 HZ1 LYS 99 1HZ LYS 99 -7.623 -5.505 10.150 759 HZ2 LYS 99 2HZ LYS 99 -7.379 -3.873 9.779 760 HZ3 LYS 99 3HZ LYS 99 -6.065 -4.937 9.819 761 H VAL 100 H VAL 100 -6.235 -3.312 2.163 762 HA VAL 100 HA VAL 100 -3.382 -2.880 1.939 763 HB VAL 100 HB VAL 100 -5.725 -1.297 0.880 764 HG11 VAL 100 1HG1 VAL 100 -4.334 0.382 0.468 765 HG12 VAL 100 2HG1 VAL 100 -3.005 -0.511 1.209 766 HG13 VAL 100 3HG1 VAL 100 -3.341 -0.695 -0.513 767 HG21 VAL 100 1HG2 VAL 100 -3.740 -2.850 -0.739 768 HG22 VAL 100 2HG2 VAL 100 -5.141 -3.645 -0.020 769 HG23 VAL 100 3HG2 VAL 100 -5.369 -2.331 -1.173 770 H GLU 101 H GLU 101 -2.192 -1.325 2.928 771 HA GLU 101 HA GLU 101 -3.530 0.692 4.557 772 HB2 GLU 101 1HB GLU 101 -1.832 -1.527 5.605 773 HB3 GLU 101 2HB GLU 101 -1.703 0.053 6.365 774 HG2 GLU 101 1HG GLU 101 -4.225 -0.021 6.610 775 HG3 GLU 101 2HG GLU 101 -4.111 -1.725 6.173 776 H ILE 102 H ILE 102 -2.651 2.574 4.043 777 HA ILE 102 HA ILE 102 0.217 2.652 3.367 778 HB ILE 102 HB ILE 102 -1.834 4.592 2.317 779 HG12 ILE 102 1HG1 ILE 102 -1.371 3.205 0.135 780 HG13 ILE 102 2HG1 ILE 102 -0.974 1.919 1.269 781 HG21 ILE 102 1HG2 ILE 102 0.236 4.461 0.537 782 HG22 ILE 102 2HG2 ILE 102 0.058 5.672 1.805 783 HG23 ILE 102 3HG2 ILE 102 1.058 4.246 2.082 784 HD11 ILE 102 1HD1 ILE 102 -3.118 1.584 1.829 785 HD12 ILE 102 2HD1 ILE 102 -3.510 3.303 1.785 786 HD13 ILE 102 3HD1 ILE 102 -3.438 2.377 0.287 787 H LYS 103 H LYS 103 1.470 4.022 4.478 788 HA LYS 103 HA LYS 103 0.237 6.219 5.968 789 HB2 LYS 103 1HB LYS 103 2.148 4.244 7.226 790 HB3 LYS 103 2HB LYS 103 1.435 5.647 8.009 791 HG2 LYS 103 1HG LYS 103 -0.759 4.667 7.877 792 HG3 LYS 103 2HG LYS 103 -0.129 3.303 6.951 793 HD2 LYS 103 1HD LYS 103 1.417 2.927 8.982 794 HD3 LYS 103 2HD LYS 103 0.289 3.976 9.844 795 HE2 LYS 103 1HE LYS 103 -0.383 1.713 10.211 796 HE3 LYS 103 2HE LYS 103 -1.555 2.456 9.123 797 HZ1 LYS 103 1HZ LYS 103 -0.630 1.329 7.285 798 HZ2 LYS 103 2HZ LYS 103 -0.801 0.167 8.501 799 HZ3 LYS 103 3HZ LYS 103 0.723 0.820 8.164 800 H PHE 104 H PHE 104 1.712 7.889 6.578 801 HA PHE 104 HA PHE 104 4.429 7.747 5.560 802 HB2 PHE 104 1HB PHE 104 3.469 8.524 3.564 803 HB3 PHE 104 2HB PHE 104 2.312 9.545 4.411 804 HD1 PHE 104 1HD PHE 104 5.979 9.160 3.884 805 HD2 PHE 104 2HD PHE 104 2.717 11.807 4.568 806 HE1 PHE 104 1HE PHE 104 7.488 11.084 3.611 807 HE2 PHE 104 2HE PHE 104 4.220 13.736 4.295 808 HZ PHE 104 HZ PHE 104 6.609 13.375 3.815 809 H GLN 105 H GLN 105 5.616 8.460 7.194 810 HA GLN 105 HA GLN 105 6.404 9.744 8.898 811 HB2 GLN 105 1HB GLN 105 4.389 11.805 7.994 812 HB3 GLN 105 2HB GLN 105 5.815 12.088 8.982 813 HG2 GLN 105 1HG GLN 105 6.087 10.941 6.238 814 HG3 GLN 105 2HG GLN 105 5.864 12.675 6.467 815 HE21 GLN 105 1HE2 GLN 105 7.914 13.105 5.633 816 HE22 GLN 105 2HE2 GLN 105 9.351 12.799 6.540 817 H GLY 106 H GLY 106 4.088 7.946 9.221 818 HA2 GLY 106 1HA GLY 106 2.923 7.267 11.109 819 HA3 GLY 106 2HA GLY 106 3.376 8.774 11.892 820 H GLN 107 H GLN 107 1.551 8.072 8.916 821 HA GLN 107 HA GLN 107 -0.958 8.810 10.013 822 HB2 GLN 107 1HB GLN 107 -1.258 10.978 9.333 823 HB3 GLN 107 2HB GLN 107 0.462 11.018 9.697 824 HG2 GLN 107 1HG GLN 107 0.838 10.491 7.242 825 HG3 GLN 107 2HG GLN 107 -0.870 10.868 7.015 826 HE21 GLN 107 1HE2 GLN 107 2.192 12.103 6.970 827 HE22 GLN 107 2HE2 GLN 107 1.821 13.784 7.113 828 H HIS 108 H HIS 108 -2.597 8.160 8.711 829 HA HIS 108 HA HIS 108 -1.982 6.563 6.451 830 HB2 HIS 108 1HB HIS 108 -4.566 7.530 7.658 831 HB3 HIS 108 2HB HIS 108 -4.539 6.570 6.182 832 HD1 HIS 108 1HD HIS 108 -4.714 4.135 6.546 833 HD2 HIS 108 2HD HIS 108 -3.125 6.078 9.857 834 HE1 HIS 108 1HE HIS 108 -4.409 2.350 8.290 835 HE2 HIS 108 2HE HIS 108 -3.526 3.563 10.313 836 H VAL 109 H VAL 109 -2.556 6.866 4.266 837 HA VAL 109 HA VAL 109 -2.660 9.694 3.472 838 HB VAL 109 HB VAL 109 -1.712 7.249 1.980 839 HG11 VAL 109 1HG1 VAL 109 -2.110 8.270 0.051 840 HG12 VAL 109 2HG1 VAL 109 -2.847 9.624 0.910 841 HG13 VAL 109 3HG1 VAL 109 -1.117 9.633 0.566 842 HG21 VAL 109 1HG2 VAL 109 -0.036 9.658 2.304 843 HG22 VAL 109 2HG2 VAL 109 -0.357 8.728 3.768 844 HG23 VAL 109 3HG2 VAL 109 0.402 7.951 2.378 845 H ALA 110 H ALA 110 -4.151 6.547 2.901 846 HA ALA 110 HA ALA 110 -6.341 7.916 1.479 847 HB1 ALA 110 1HB ALA 110 -4.829 6.074 0.337 848 HB2 ALA 110 2HB ALA 110 -5.945 4.988 1.166 849 HB3 ALA 110 3HB ALA 110 -6.561 6.177 0.018 850 H LYS 111 H LYS 111 -8.319 6.150 1.531 851 HA LYS 111 HA LYS 111 -9.193 6.225 4.258 852 HB2 LYS 111 1HB LYS 111 -10.395 5.441 1.643 853 HB3 LYS 111 2HB LYS 111 -11.154 4.847 3.114 854 HG2 LYS 111 1HG LYS 111 -12.312 6.798 2.691 855 HG3 LYS 111 2HG LYS 111 -11.101 7.317 3.865 856 HD2 LYS 111 1HD LYS 111 -9.929 8.530 2.322 857 HD3 LYS 111 2HD LYS 111 -10.403 7.486 0.980 858 HE2 LYS 111 1HE LYS 111 -12.594 8.460 0.922 859 HE3 LYS 111 2HE LYS 111 -12.279 9.374 2.396 860 HZ1 LYS 111 1HZ LYS 111 -11.185 10.950 1.274 861 HZ2 LYS 111 2HZ LYS 111 -11.966 10.333 -0.093 862 HZ3 LYS 111 3HZ LYS 111 -10.386 9.848 0.268 863 H SER 112 H SER 112 -7.006 4.711 4.379 864 HA SER 112 HA SER 112 -7.775 1.902 4.240 865 HB2 SER 112 1HB SER 112 -5.214 3.391 4.492 866 HB3 SER 112 2HB SER 112 -5.287 1.797 5.244 867 HG SER 112 HG SER 112 -6.031 1.013 3.175 868 HA PRO 113 HA PRO 113 -6.364 0.136 5.298 869 HB2 PRO 113 1HB PRO 113 -7.618 -2.000 6.409 870 HB3 PRO 113 2HB PRO 113 -6.137 -1.303 7.076 871 HG2 PRO 113 1HG PRO 113 -8.975 -0.897 7.935 872 HG3 PRO 113 2HG PRO 113 -7.529 -1.146 8.931 873 HD2 PRO 113 1HD PRO 113 -8.612 1.302 8.520 874 HD3 PRO 113 2HD PRO 113 -6.868 1.055 8.744 875 H TYR 114 H TYR 114 -7.295 -1.298 3.716 876 HA TYR 114 HA TYR 114 -10.066 -0.572 3.044 877 HB2 TYR 114 1HB TYR 114 -7.681 -1.261 1.350 878 HB3 TYR 114 2HB TYR 114 -9.313 -1.411 0.709 879 HD1 TYR 114 1HD TYR 114 -10.821 0.712 0.943 880 HD2 TYR 114 2HD TYR 114 -6.573 0.769 1.171 881 HE1 TYR 114 1HE TYR 114 -10.830 3.109 0.393 882 HE2 TYR 114 2HE TYR 114 -6.570 3.166 0.623 883 HH TYR 114 HH TYR 114 -9.520 4.848 -0.282 884 H ILE 115 H ILE 115 -11.337 -2.128 3.878 885 HA ILE 115 HA ILE 115 -10.546 -4.910 3.826 886 HB ILE 115 HB ILE 115 -13.265 -3.877 4.596 887 HG12 ILE 115 1HG1 ILE 115 -11.664 -2.538 5.834 888 HG13 ILE 115 2HG1 ILE 115 -12.399 -3.713 6.919 889 HG21 ILE 115 1HG2 ILE 115 -12.475 -5.930 6.284 890 HG22 ILE 115 2HG2 ILE 115 -13.593 -6.054 4.926 891 HG23 ILE 115 3HG2 ILE 115 -11.883 -6.418 4.696 892 HD11 ILE 115 1HD1 ILE 115 -9.670 -3.248 6.447 893 HD12 ILE 115 2HD1 ILE 115 -10.405 -4.481 7.472 894 HD13 ILE 115 3HD1 ILE 115 -10.040 -4.840 5.785 895 H LEU 116 H LEU 116 -10.775 -6.099 2.059 896 HA LEU 116 HA LEU 116 -13.174 -5.705 0.399 897 HB2 LEU 116 1HB LEU 116 -10.532 -6.557 -0.736 898 HB3 LEU 116 2HB LEU 116 -11.955 -5.962 -1.588 899 HG LEU 116 HG LEU 116 -10.560 -4.119 0.288 900 HD11 LEU 116 1HD1 LEU 116 -8.604 -4.475 -0.746 901 HD12 LEU 116 2HD1 LEU 116 -9.328 -3.551 -2.061 902 HD13 LEU 116 3HD1 LEU 116 -9.355 -5.314 -2.103 903 HD21 LEU 116 1HD2 LEU 116 -11.893 -2.641 -0.692 904 HD22 LEU 116 2HD2 LEU 116 -12.637 -3.961 -1.594 905 HD23 LEU 116 3HD2 LEU 116 -11.276 -3.077 -2.285 906 H LYS 117 H LYS 117 -14.355 -7.426 1.044 907 HA LYS 117 HA LYS 117 -13.071 -10.066 1.091 908 HB2 LYS 117 1HB LYS 117 -15.056 -10.817 2.318 909 HB3 LYS 117 2HB LYS 117 -14.294 -9.448 3.116 910 HG2 LYS 117 1HG LYS 117 -16.025 -8.046 1.775 911 HG3 LYS 117 2HG LYS 117 -16.888 -9.581 1.649 912 HD2 LYS 117 1HD LYS 117 -17.771 -8.583 3.572 913 HD3 LYS 117 2HD LYS 117 -16.587 -9.737 4.191 914 HE2 LYS 117 1HE LYS 117 -16.238 -7.752 5.411 915 HE3 LYS 117 2HE LYS 117 -14.938 -7.813 4.222 916 HZ1 LYS 117 1HZ LYS 117 -16.546 -6.396 2.815 917 HZ2 LYS 117 2HZ LYS 117 -15.673 -5.652 4.058 918 HZ3 LYS 117 3HZ LYS 117 -17.299 -6.057 4.292 919 H GLY 118 H GLY 118 -15.861 -8.337 -0.252 920 HA2 GLY 118 1HA GLY 118 -15.985 -9.089 -2.757 921 HA3 GLY 118 2HA GLY 118 -16.426 -10.615 -2.007 922 H SER 119 H SER 119 -18.165 -9.486 -3.748 923 HA SER 119 HA SER 119 -20.241 -8.537 -4.015 924 HB2 SER 119 1HB SER 119 -20.719 -10.753 -3.026 925 HB3 SER 119 2HB SER 119 -20.674 -10.033 -1.417 926 HG SER 119 HG SER 119 -22.797 -10.095 -2.047 927 H GLY 120 H GLY 120 -18.514 -6.677 -2.886 928 HA2 GLY 120 1HA GLY 120 -20.110 -5.392 -0.772 929 HA3 GLY 120 2HA GLY 120 -18.427 -5.037 -1.132 930 HA PRO 121 HA PRO 121 -19.790 -1.520 -3.382 931 HB2 PRO 121 1HB PRO 121 -17.614 -1.137 -4.960 932 HB3 PRO 121 2HB PRO 121 -17.624 -0.768 -3.232 933 HG2 PRO 121 1HG PRO 121 -16.551 -3.177 -4.648 934 HG3 PRO 121 2HG PRO 121 -15.832 -2.247 -3.320 935 HD2 PRO 121 1HD PRO 121 -17.120 -4.595 -2.924 936 HD3 PRO 121 2HD PRO 121 -17.127 -3.288 -1.723 937 H SER 122 H SER 122 -19.353 -4.561 -4.751 938 HA SER 122 HA SER 122 -19.762 -3.828 -7.504 939 HB2 SER 122 1HB SER 122 -18.576 -5.938 -6.599 940 HB3 SER 122 2HB SER 122 -20.200 -6.584 -6.371 941 HG SER 122 HG SER 122 -19.362 -5.501 -8.842 942 H SER 123 H SER 123 -21.640 -3.221 -8.325 943 HA SER 123 HA SER 123 -24.098 -3.582 -6.881 944 HB2 SER 123 1HB SER 123 -23.681 -1.515 -8.134 945 HB3 SER 123 2HB SER 123 -23.589 -2.432 -9.637 946 HG SER 123 HG SER 123 -25.760 -1.501 -8.345 947 H GLY 124 H GLY 124 -25.828 -4.875 -7.391 948 HA2 GLY 124 1HA GLY 124 -27.040 -6.523 -8.475 949 HA3 GLY 124 2HA GLY 124 -25.885 -6.452 -9.798 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -13.080 20.895 -4.684 2 HA2 GLY 1 1HA GLY 1 -12.366 21.099 -7.136 3 HA3 GLY 1 2HA GLY 1 -13.956 21.818 -7.342 4 H SER 2 H SER 2 -14.121 23.376 -5.055 5 HA SER 2 HA SER 2 -12.770 25.697 -5.847 6 HB2 SER 2 1HB SER 2 -14.324 24.894 -3.421 7 HB3 SER 2 2HB SER 2 -13.394 26.391 -3.371 8 HG SER 2 HG SER 2 -15.189 27.120 -4.247 9 H SER 3 H SER 3 -11.302 26.985 -4.393 10 HA SER 3 HA SER 3 -9.571 25.560 -2.608 11 HB2 SER 3 1HB SER 3 -8.804 24.898 -4.960 12 HB3 SER 3 2HB SER 3 -8.274 26.571 -5.138 13 HG SER 3 HG SER 3 -6.651 25.056 -4.351 14 H GLY 4 H GLY 4 -9.007 26.975 -1.098 15 HA2 GLY 4 1HA GLY 4 -8.755 29.815 -1.881 16 HA3 GLY 4 2HA GLY 4 -9.467 29.303 -0.358 17 H SER 5 H SER 5 -6.495 29.632 -2.175 18 HA SER 5 HA SER 5 -4.945 29.045 0.252 19 HB2 SER 5 1HB SER 5 -4.263 29.016 -2.677 20 HB3 SER 5 2HB SER 5 -2.992 29.126 -1.459 21 HG SER 5 HG SER 5 -4.370 27.205 -0.568 22 H SER 6 H SER 6 -5.480 31.095 1.202 23 HA SER 6 HA SER 6 -4.400 33.468 -0.113 24 HB2 SER 6 1HB SER 6 -5.546 34.744 1.586 25 HB3 SER 6 2HB SER 6 -6.659 33.522 0.972 26 HG SER 6 HG SER 6 -6.146 33.915 3.438 27 H GLY 7 H GLY 7 -3.148 35.018 1.277 28 HA2 GLY 7 1HA GLY 7 -1.487 35.500 2.836 29 HA3 GLY 7 2HA GLY 7 -1.621 33.858 3.448 30 H GLU 8 H GLU 8 0.805 35.297 2.939 31 HA GLU 8 HA GLU 8 1.901 33.877 0.614 32 HB2 GLU 8 1HB GLU 8 3.676 35.463 0.587 33 HB3 GLU 8 2HB GLU 8 2.187 36.374 0.797 34 HG2 GLU 8 1HG GLU 8 2.775 36.135 3.342 35 HG3 GLU 8 2HG GLU 8 4.405 35.893 2.716 36 H THR 9 H THR 9 3.088 32.124 0.929 37 HA THR 9 HA THR 9 4.044 31.523 3.630 38 HB THR 9 HB THR 9 4.475 29.228 2.681 39 HG1 THR 9 1HG THR 9 4.338 30.263 0.414 40 HG21 THR 9 1HG2 THR 9 2.151 30.353 3.616 41 HG22 THR 9 2HG2 THR 9 2.417 28.630 3.351 42 HG23 THR 9 3HG2 THR 9 1.633 29.603 2.107 43 H GLY 10 H GLY 10 6.149 31.461 4.163 44 HA2 GLY 10 1HA GLY 10 8.086 32.063 2.031 45 HA3 GLY 10 2HA GLY 10 8.310 32.414 3.739 46 H GLY 11 H GLY 11 7.221 29.380 2.272 47 HA2 GLY 11 1HA GLY 11 9.743 28.139 3.174 48 HA3 GLY 11 2HA GLY 11 8.188 27.410 3.551 49 H GLU 12 H GLU 12 9.049 25.518 2.458 50 HA GLU 12 HA GLU 12 9.067 25.765 -0.473 51 HB2 GLU 12 1HB GLU 12 10.390 23.879 1.435 52 HB3 GLU 12 2HB GLU 12 10.027 23.329 -0.195 53 HG2 GLU 12 1HG GLU 12 11.453 25.914 0.157 54 HG3 GLU 12 2HG GLU 12 12.340 24.410 0.396 55 H ARG 13 H ARG 13 8.297 23.644 -1.563 56 HA ARG 13 HA ARG 13 5.603 23.390 -1.387 57 HB2 ARG 13 1HB ARG 13 7.668 21.342 -2.171 58 HB3 ARG 13 2HB ARG 13 5.944 21.029 -2.316 59 HG2 ARG 13 1HG ARG 13 5.666 22.604 -3.989 60 HG3 ARG 13 2HG ARG 13 7.145 23.466 -3.561 61 HD2 ARG 13 1HD ARG 13 8.303 21.225 -4.227 62 HD3 ARG 13 2HD ARG 13 6.801 20.929 -5.102 63 HE ARG 13 HE ARG 13 7.813 23.501 -5.711 64 HH11 ARG 13 1HH1 ARG 13 8.363 20.119 -6.329 65 HH12 ARG 13 2HH1 ARG 13 9.098 20.387 -7.875 66 HH21 ARG 13 1HH2 ARG 13 8.779 23.867 -7.745 67 HH22 ARG 13 2HH2 ARG 13 9.335 22.519 -8.679 68 H GLN 14 H GLN 14 4.150 21.860 -0.471 69 HA GLN 14 HA GLN 14 5.165 20.450 1.902 70 HB2 GLN 14 1HB GLN 14 2.902 21.079 2.958 71 HB3 GLN 14 2HB GLN 14 4.155 22.312 2.889 72 HG2 GLN 14 1HG GLN 14 2.209 22.162 0.652 73 HG3 GLN 14 2HG GLN 14 1.666 22.816 2.196 74 HE21 GLN 14 1HE2 GLN 14 1.584 24.463 0.115 75 HE22 GLN 14 2HE2 GLN 14 2.845 25.641 0.191 76 H LEU 15 H LEU 15 5.108 18.511 0.702 77 HA LEU 15 HA LEU 15 3.029 17.516 -0.814 78 HB2 LEU 15 1HB LEU 15 4.935 16.237 -0.911 79 HB3 LEU 15 2HB LEU 15 5.170 16.264 0.835 80 HG LEU 15 HG LEU 15 3.298 14.664 1.073 81 HD11 LEU 15 1HD1 LEU 15 2.688 15.423 -1.521 82 HD12 LEU 15 2HD1 LEU 15 1.946 14.113 -0.603 83 HD13 LEU 15 3HD1 LEU 15 3.302 13.777 -1.680 84 HD21 LEU 15 1HD2 LEU 15 4.695 12.908 -0.536 85 HD22 LEU 15 2HD2 LEU 15 5.057 13.297 1.146 86 HD23 LEU 15 3HD2 LEU 15 5.880 14.158 -0.155 87 H SER 16 H SER 16 1.113 16.532 -0.428 88 HA SER 16 HA SER 16 0.329 16.141 2.385 89 HB2 SER 16 1HB SER 16 -0.727 18.177 1.475 90 HB3 SER 16 2HB SER 16 -1.423 17.224 0.164 91 HG SER 16 HG SER 16 -2.156 17.384 2.833 92 HA PRO 17 HA PRO 17 -0.373 12.039 0.735 93 HB2 PRO 17 1HB PRO 17 -0.971 10.912 3.132 94 HB3 PRO 17 2HB PRO 17 0.685 11.255 2.618 95 HG2 PRO 17 1HG PRO 17 -1.099 12.829 4.435 96 HG3 PRO 17 2HG PRO 17 0.623 12.448 4.613 97 HD2 PRO 17 1HD PRO 17 -0.253 14.848 3.717 98 HD3 PRO 17 2HD PRO 17 1.272 14.123 3.169 99 H GLU 18 H GLU 18 -2.525 13.347 3.269 100 HA GLU 18 HA GLU 18 -4.762 11.843 2.855 101 HB2 GLU 18 1HB GLU 18 -6.074 13.733 3.695 102 HB3 GLU 18 2HB GLU 18 -4.592 13.527 4.618 103 HG2 GLU 18 1HG GLU 18 -3.626 15.306 3.014 104 HG3 GLU 18 2HG GLU 18 -5.316 15.668 2.667 105 H LYS 19 H LYS 19 -3.749 14.687 1.009 106 HA LYS 19 HA LYS 19 -6.052 14.729 -0.671 107 HB2 LYS 19 1HB LYS 19 -3.317 15.950 -1.090 108 HB3 LYS 19 2HB LYS 19 -4.753 16.322 -2.035 109 HG2 LYS 19 1HG LYS 19 -5.686 16.833 0.430 110 HG3 LYS 19 2HG LYS 19 -3.977 17.206 0.666 111 HD2 LYS 19 1HD LYS 19 -4.876 19.240 -0.018 112 HD3 LYS 19 2HD LYS 19 -4.207 18.575 -1.511 113 HE2 LYS 19 1HE LYS 19 -6.259 19.156 -2.291 114 HE3 LYS 19 2HE LYS 19 -6.660 17.552 -1.678 115 HZ1 LYS 19 1HZ LYS 19 -6.972 19.189 0.479 116 HZ2 LYS 19 2HZ LYS 19 -8.215 18.575 -0.489 117 HZ3 LYS 19 3HZ LYS 19 -7.582 20.112 -0.801 118 H SER 20 H SER 20 -2.846 13.294 -0.898 119 HA SER 20 HA SER 20 -2.630 12.608 -3.518 120 HB2 SER 20 1HB SER 20 -2.025 10.784 -1.178 121 HB3 SER 20 2HB SER 20 -1.364 10.624 -2.805 122 HG SER 20 HG SER 20 -1.046 13.082 -1.538 123 H GLU 21 H GLU 21 -3.363 10.993 -4.876 124 HA GLU 21 HA GLU 21 -5.737 9.529 -3.924 125 HB2 GLU 21 1HB GLU 21 -5.167 10.386 -6.764 126 HB3 GLU 21 2HB GLU 21 -6.651 9.668 -6.151 127 HG2 GLU 21 1HG GLU 21 -6.858 11.701 -4.661 128 HG3 GLU 21 2HG GLU 21 -5.564 12.414 -5.622 129 H ILE 22 H ILE 22 -5.432 7.419 -3.755 130 HA ILE 22 HA ILE 22 -3.324 6.146 -5.348 131 HB ILE 22 HB ILE 22 -4.786 5.146 -2.902 132 HG12 ILE 22 1HG1 ILE 22 -1.908 6.013 -3.258 133 HG13 ILE 22 2HG1 ILE 22 -3.166 6.990 -2.508 134 HG21 ILE 22 1HG2 ILE 22 -3.997 3.105 -3.289 135 HG22 ILE 22 2HG2 ILE 22 -3.528 3.656 -4.896 136 HG23 ILE 22 3HG2 ILE 22 -2.371 3.726 -3.568 137 HD11 ILE 22 1HD1 ILE 22 -3.368 4.757 -1.031 138 HD12 ILE 22 2HD1 ILE 22 -1.653 4.707 -1.445 139 HD13 ILE 22 3HD1 ILE 22 -2.322 6.117 -0.623 140 H TRP 23 H TRP 23 -4.126 5.498 -7.257 141 HA TRP 23 HA TRP 23 -6.632 3.946 -7.233 142 HB2 TRP 23 1HB TRP 23 -7.094 4.694 -9.455 143 HB3 TRP 23 2HB TRP 23 -6.674 6.121 -8.512 144 HD1 TRP 23 HD TRP 23 -5.384 3.928 -11.362 145 HE1 TRP 23 1HE TRP 23 -3.475 5.170 -12.561 146 HE3 TRP 23 3HE TRP 23 -4.834 7.865 -8.148 147 HZ2 TRP 23 2HZ TRP 23 -1.939 7.510 -12.192 148 HZ3 TRP 23 3HZ TRP 23 -3.121 9.561 -8.642 149 HH2 TRP 23 HH TRP 23 -1.705 9.385 -10.623 150 H GLY 24 H GLY 24 -6.754 2.090 -8.576 151 HA2 GLY 24 1HA GLY 24 -4.821 1.088 -10.269 152 HA3 GLY 24 2HA GLY 24 -4.333 0.581 -8.659 153 HA PRO 25 HA PRO 25 -7.826 -2.093 -10.603 154 HB2 PRO 25 1HB PRO 25 -6.360 -4.004 -11.856 155 HB3 PRO 25 2HB PRO 25 -6.926 -2.540 -12.669 156 HG2 PRO 25 1HG PRO 25 -4.232 -3.143 -11.510 157 HG3 PRO 25 2HG PRO 25 -4.638 -2.355 -13.046 158 HD2 PRO 25 1HD PRO 25 -3.894 -0.962 -10.846 159 HD3 PRO 25 2HD PRO 25 -5.040 -0.320 -12.041 160 H GLY 26 H GLY 26 -4.833 -2.614 -8.926 161 HA2 GLY 26 1HA GLY 26 -5.266 -5.261 -8.035 162 HA3 GLY 26 2HA GLY 26 -4.215 -4.079 -7.270 163 H LEU 27 H LEU 27 -7.078 -2.565 -7.387 164 HA LEU 27 HA LEU 27 -8.056 -3.748 -4.876 165 HB2 LEU 27 1HB LEU 27 -7.986 -0.793 -5.434 166 HB3 LEU 27 2HB LEU 27 -8.404 -1.594 -3.921 167 HG LEU 27 HG LEU 27 -5.655 -1.917 -5.048 168 HD11 LEU 27 1HD1 LEU 27 -6.489 0.412 -3.333 169 HD12 LEU 27 2HD1 LEU 27 -6.217 0.517 -5.072 170 HD13 LEU 27 3HD1 LEU 27 -4.889 0.080 -3.997 171 HD21 LEU 27 1HD2 LEU 27 -5.474 -3.073 -3.160 172 HD22 LEU 27 2HD2 LEU 27 -7.067 -2.546 -2.616 173 HD23 LEU 27 3HD2 LEU 27 -5.648 -1.552 -2.282 174 H LYS 28 H LYS 28 -9.186 -4.502 -7.194 175 HA LYS 28 HA LYS 28 -11.652 -2.902 -7.389 176 HB2 LYS 28 1HB LYS 28 -10.161 -4.562 -9.391 177 HB3 LYS 28 2HB LYS 28 -11.891 -4.314 -9.580 178 HG2 LYS 28 1HG LYS 28 -11.193 -1.784 -9.238 179 HG3 LYS 28 2HG LYS 28 -9.654 -2.390 -9.854 180 HD2 LYS 28 1HD LYS 28 -12.270 -2.931 -11.237 181 HD3 LYS 28 2HD LYS 28 -11.307 -1.489 -11.568 182 HE2 LYS 28 1HE LYS 28 -9.370 -3.133 -11.965 183 HE3 LYS 28 2HE LYS 28 -10.624 -4.368 -12.064 184 HZ1 LYS 28 1HZ LYS 28 -11.623 -3.230 -13.892 185 HZ2 LYS 28 2HZ LYS 28 -9.978 -3.420 -14.238 186 HZ3 LYS 28 3HZ LYS 28 -10.568 -1.916 -13.736 187 H ALA 29 H ALA 29 -10.900 -6.263 -8.261 188 HA ALA 29 HA ALA 29 -12.284 -7.478 -6.138 189 HB1 ALA 29 1HB ALA 29 -13.970 -6.423 -8.203 190 HB2 ALA 29 2HB ALA 29 -14.096 -8.182 -8.161 191 HB3 ALA 29 3HB ALA 29 -14.416 -7.240 -6.705 192 H ASP 30 H ASP 30 -11.663 -9.545 -6.053 193 HA ASP 30 HA ASP 30 -10.285 -11.312 -6.653 194 HB2 ASP 30 1HB ASP 30 -11.460 -12.761 -8.303 195 HB3 ASP 30 2HB ASP 30 -12.523 -12.142 -7.042 196 H VAL 31 H VAL 31 -8.871 -9.297 -7.534 197 HA VAL 31 HA VAL 31 -8.462 -8.853 -10.221 198 HB VAL 31 HB VAL 31 -6.145 -8.260 -9.673 199 HG11 VAL 31 1HG1 VAL 31 -7.458 -7.183 -7.294 200 HG12 VAL 31 2HG1 VAL 31 -6.806 -6.351 -8.706 201 HG13 VAL 31 3HG1 VAL 31 -8.424 -7.052 -8.763 202 HG21 VAL 31 1HG2 VAL 31 -5.588 -8.466 -7.141 203 HG22 VAL 31 2HG2 VAL 31 -6.769 -9.775 -7.171 204 HG23 VAL 31 3HG2 VAL 31 -5.340 -9.853 -8.201 205 H VAL 32 H VAL 32 -6.096 -9.528 -11.157 206 HA VAL 32 HA VAL 32 -6.300 -11.940 -12.348 207 HB VAL 32 HB VAL 32 -3.888 -11.955 -12.699 208 HG11 VAL 32 1HG1 VAL 32 -4.447 -10.434 -14.228 209 HG12 VAL 32 2HG1 VAL 32 -5.588 -9.648 -13.135 210 HG13 VAL 32 3HG1 VAL 32 -3.879 -9.214 -13.088 211 HG21 VAL 32 1HG2 VAL 32 -3.833 -9.833 -10.558 212 HG22 VAL 32 2HG2 VAL 32 -3.117 -11.442 -10.472 213 HG23 VAL 32 3HG2 VAL 32 -2.470 -10.248 -11.597 214 H LEU 33 H LEU 33 -5.083 -13.974 -12.061 215 HA LEU 33 HA LEU 33 -5.744 -15.380 -9.840 216 HB2 LEU 33 1HB LEU 33 -3.660 -15.676 -11.907 217 HB3 LEU 33 2HB LEU 33 -3.436 -16.632 -10.444 218 HG LEU 33 HG LEU 33 -5.939 -17.326 -10.934 219 HD11 LEU 33 1HD1 LEU 33 -4.881 -16.434 -13.604 220 HD12 LEU 33 2HD1 LEU 33 -6.379 -15.950 -12.810 221 HD13 LEU 33 3HD1 LEU 33 -6.197 -17.594 -13.422 222 HD21 LEU 33 1HD2 LEU 33 -4.171 -18.720 -12.793 223 HD22 LEU 33 2HD2 LEU 33 -5.037 -19.323 -11.380 224 HD23 LEU 33 3HD2 LEU 33 -3.483 -18.512 -11.182 225 HA PRO 34 HA PRO 34 -1.499 -14.508 -7.713 226 HB2 PRO 34 1HB PRO 34 0.109 -12.636 -8.844 227 HB3 PRO 34 2HB PRO 34 0.177 -14.348 -9.277 228 HG2 PRO 34 1HG PRO 34 -1.183 -12.089 -10.694 229 HG3 PRO 34 2HG PRO 34 -0.221 -13.417 -11.370 230 HD2 PRO 34 1HD PRO 34 -2.929 -13.419 -11.396 231 HD3 PRO 34 2HD PRO 34 -1.974 -14.910 -11.260 232 H ALA 35 H ALA 35 -1.180 -11.322 -9.042 233 HA ALA 35 HA ALA 35 -3.123 -9.993 -7.478 234 HB1 ALA 35 1HB ALA 35 -0.899 -8.948 -6.171 235 HB2 ALA 35 2HB ALA 35 -2.153 -9.977 -5.478 236 HB3 ALA 35 3HB ALA 35 -0.677 -10.697 -6.119 237 H ARG 36 H ARG 36 -3.202 -7.788 -7.905 238 HA ARG 36 HA ARG 36 -1.375 -6.893 -10.026 239 HB2 ARG 36 1HB ARG 36 -4.234 -6.312 -9.382 240 HB3 ARG 36 2HB ARG 36 -3.292 -5.090 -10.225 241 HG2 ARG 36 1HG ARG 36 -3.718 -7.924 -11.148 242 HG3 ARG 36 2HG ARG 36 -4.543 -6.495 -11.774 243 HD2 ARG 36 1HD ARG 36 -1.641 -7.235 -12.011 244 HD3 ARG 36 2HD ARG 36 -2.808 -6.951 -13.302 245 HE ARG 36 HE ARG 36 -2.705 -4.570 -12.015 246 HH11 ARG 36 1HH1 ARG 36 -0.285 -6.678 -13.366 247 HH12 ARG 36 2HH1 ARG 36 0.806 -5.390 -13.757 248 HH21 ARG 36 1HH2 ARG 36 -1.278 -2.866 -12.526 249 HH22 ARG 36 2HH2 ARG 36 0.240 -3.222 -13.278 250 H TYR 37 H TYR 37 -0.436 -4.840 -9.952 251 HA TYR 37 HA TYR 37 -0.257 -3.707 -7.249 252 HB2 TYR 37 1HB TYR 37 1.808 -2.550 -8.300 253 HB3 TYR 37 2HB TYR 37 1.907 -4.267 -7.926 254 HD1 TYR 37 2HD TYR 37 1.941 -5.930 -9.711 255 HD2 TYR 37 1HD TYR 37 1.772 -1.771 -10.593 256 HE1 TYR 37 2HE TYR 37 2.567 -6.404 -12.042 257 HE2 TYR 37 1HE TYR 37 2.396 -2.234 -12.927 258 HH TYR 37 HH TYR 37 3.785 -4.365 -14.071 259 H PHE 38 H PHE 38 -0.142 -1.385 -7.013 260 HA PHE 38 HA PHE 38 -1.548 0.066 -9.157 261 HB2 PHE 38 1HB PHE 38 -2.709 1.368 -7.424 262 HB3 PHE 38 2HB PHE 38 -3.066 -0.350 -7.281 263 HD1 PHE 38 1HD PHE 38 -2.189 -1.654 -5.425 264 HD2 PHE 38 2HD PHE 38 -1.450 2.526 -5.740 265 HE1 PHE 38 1HE PHE 38 -1.486 -1.604 -3.068 266 HE2 PHE 38 2HE PHE 38 -0.744 2.582 -3.384 267 HZ PHE 38 HZ PHE 38 -0.760 0.515 -2.045 268 H TYR 39 H TYR 39 -1.318 2.507 -8.865 269 HA TYR 39 HA TYR 39 1.511 3.076 -8.323 270 HB2 TYR 39 1HB TYR 39 -0.399 4.834 -9.856 271 HB3 TYR 39 2HB TYR 39 1.360 4.873 -9.871 272 HD1 TYR 39 1HD TYR 39 -1.623 3.158 -11.128 273 HD2 TYR 39 2HD TYR 39 2.630 3.274 -11.183 274 HE1 TYR 39 1HE TYR 39 -1.614 1.679 -13.093 275 HE2 TYR 39 2HE TYR 39 2.651 1.796 -13.149 276 HH TYR 39 HH TYR 39 1.190 0.135 -14.218 277 H ILE 40 H ILE 40 2.110 4.999 -7.223 278 HA ILE 40 HA ILE 40 -0.001 6.065 -5.463 279 HB ILE 40 HB ILE 40 2.919 5.625 -4.831 280 HG12 ILE 40 1HG1 ILE 40 0.543 4.457 -3.398 281 HG13 ILE 40 2HG1 ILE 40 1.237 3.668 -4.811 282 HG21 ILE 40 1HG2 ILE 40 1.916 7.731 -3.889 283 HG22 ILE 40 2HG2 ILE 40 0.803 6.706 -2.985 284 HG23 ILE 40 3HG2 ILE 40 2.539 6.591 -2.697 285 HD11 ILE 40 1HD1 ILE 40 1.999 3.286 -2.206 286 HD12 ILE 40 2HD1 ILE 40 2.934 2.846 -3.636 287 HD13 ILE 40 3HD1 ILE 40 3.233 4.383 -2.825 288 H GLN 41 H GLN 41 -0.516 7.990 -6.329 289 HA GLN 41 HA GLN 41 1.584 9.738 -7.347 290 HB2 GLN 41 1HB GLN 41 -0.368 9.549 -8.741 291 HB3 GLN 41 2HB GLN 41 -1.428 9.941 -7.394 292 HG2 GLN 41 1HG GLN 41 -1.343 11.906 -8.616 293 HG3 GLN 41 2HG GLN 41 -0.184 12.176 -7.314 294 HE21 GLN 41 1HE2 GLN 41 1.833 12.717 -7.826 295 HE22 GLN 41 2HE2 GLN 41 2.498 12.699 -9.421 296 H ALA 42 H ALA 42 2.350 11.463 -6.296 297 HA ALA 42 HA ALA 42 1.348 11.998 -3.616 298 HB1 ALA 42 1HB ALA 42 3.394 13.615 -3.678 299 HB2 ALA 42 2HB ALA 42 3.646 11.875 -3.543 300 HB3 ALA 42 3HB ALA 42 3.846 12.676 -5.101 301 H VAL 43 H VAL 43 0.197 13.739 -3.044 302 HA VAL 43 HA VAL 43 -0.112 15.905 -5.021 303 HB VAL 43 HB VAL 43 -2.222 14.769 -3.181 304 HG11 VAL 43 1HG1 VAL 43 -2.576 16.991 -5.178 305 HG12 VAL 43 2HG1 VAL 43 -3.715 16.435 -3.950 306 HG13 VAL 43 3HG1 VAL 43 -2.243 17.281 -3.471 307 HG21 VAL 43 1HG2 VAL 43 -1.568 13.586 -5.379 308 HG22 VAL 43 2HG2 VAL 43 -3.274 13.901 -5.065 309 HG23 VAL 43 3HG2 VAL 43 -2.374 14.942 -6.168 310 H ASP 44 H ASP 44 0.017 17.972 -4.297 311 HA ASP 44 HA ASP 44 1.141 18.396 -1.688 312 HB2 ASP 44 1HB ASP 44 0.841 20.891 -2.537 313 HB3 ASP 44 2HB ASP 44 2.114 19.853 -3.173 314 H THR 45 H THR 45 0.221 20.654 -0.682 315 HA THR 45 HA THR 45 -2.235 19.920 0.524 316 HB THR 45 HB THR 45 -2.149 22.140 1.613 317 HG1 THR 45 1HG THR 45 0.220 22.535 0.077 318 HG21 THR 45 1HG2 THR 45 -0.645 20.046 2.190 319 HG22 THR 45 2HG2 THR 45 -0.436 21.579 3.035 320 HG23 THR 45 3HG2 THR 45 0.656 21.140 1.722 321 H SER 46 H SER 46 -1.488 21.600 -2.353 322 HA SER 46 HA SER 46 -3.983 23.070 -2.457 323 HB2 SER 46 1HB SER 46 -2.144 24.188 -3.470 324 HB3 SER 46 2HB SER 46 -1.682 22.753 -4.385 325 HG SER 46 HG SER 46 -3.179 24.685 -5.231 326 H GLY 47 H GLY 47 -2.472 20.388 -4.248 327 HA2 GLY 47 1HA GLY 47 -4.111 18.473 -4.554 328 HA3 GLY 47 2HA GLY 47 -5.151 19.692 -5.276 329 H ASN 48 H ASN 48 -1.728 19.844 -5.796 330 HA ASN 48 HA ASN 48 -2.177 19.120 -8.608 331 HB2 ASN 48 1HB ASN 48 0.214 20.586 -7.491 332 HB3 ASN 48 2HB ASN 48 -0.305 20.486 -9.171 333 HD21 ASN 48 1HD2 ASN 48 -0.039 22.571 -6.792 334 HD22 ASN 48 2HD2 ASN 48 -1.410 23.584 -7.071 335 H LYS 49 H LYS 49 -0.882 17.635 -9.652 336 HA LYS 49 HA LYS 49 0.194 15.544 -8.064 337 HB2 LYS 49 1HB LYS 49 0.318 16.103 -11.029 338 HB3 LYS 49 2HB LYS 49 0.984 14.650 -10.294 339 HG2 LYS 49 1HG LYS 49 -1.151 13.898 -9.617 340 HG3 LYS 49 2HG LYS 49 -1.893 15.458 -9.980 341 HD2 LYS 49 1HD LYS 49 -1.464 15.127 -12.354 342 HD3 LYS 49 2HD LYS 49 -0.664 13.592 -12.010 343 HE2 LYS 49 1HE LYS 49 -2.640 12.524 -11.503 344 HE3 LYS 49 2HE LYS 49 -3.457 14.021 -11.056 345 HZ1 LYS 49 1HZ LYS 49 -2.651 13.885 -13.823 346 HZ2 LYS 49 2HZ LYS 49 -4.123 14.371 -13.147 347 HZ3 LYS 49 3HZ LYS 49 -3.803 12.727 -13.385 348 H PHE 50 H PHE 50 2.302 14.924 -7.699 349 HA PHE 50 HA PHE 50 4.251 17.045 -7.738 350 HB2 PHE 50 1HB PHE 50 4.047 14.338 -6.532 351 HB3 PHE 50 2HB PHE 50 5.669 14.950 -6.839 352 HD1 PHE 50 1HD PHE 50 2.448 16.201 -5.423 353 HD2 PHE 50 2HD PHE 50 6.689 16.036 -5.104 354 HE1 PHE 50 1HE PHE 50 2.339 17.513 -3.345 355 HE2 PHE 50 2HE PHE 50 6.587 17.347 -3.025 356 HZ PHE 50 HZ PHE 50 4.410 18.087 -2.142 357 H THR 51 H THR 51 4.055 13.773 -9.126 358 HA THR 51 HA THR 51 5.209 12.769 -10.822 359 HB THR 51 HB THR 51 5.423 14.077 -12.895 360 HG1 THR 51 1HG THR 51 5.083 16.257 -12.902 361 HG21 THR 51 1HG2 THR 51 3.074 13.459 -11.533 362 HG22 THR 51 2HG2 THR 51 3.234 13.815 -13.253 363 HG23 THR 51 3HG2 THR 51 2.830 15.104 -12.119 364 H SER 52 H SER 52 6.802 13.975 -8.662 365 HA SER 52 HA SER 52 9.330 14.270 -10.142 366 HB2 SER 52 1HB SER 52 8.392 16.411 -9.035 367 HB3 SER 52 2HB SER 52 8.845 15.650 -7.510 368 HG SER 52 HG SER 52 10.510 16.986 -8.354 369 H SER 53 H SER 53 11.224 14.023 -8.440 370 HA SER 53 HA SER 53 10.750 11.443 -7.139 371 HB2 SER 53 1HB SER 53 12.596 11.579 -8.773 372 HB3 SER 53 2HB SER 53 13.362 12.831 -7.795 373 HG SER 53 HG SER 53 13.322 10.114 -7.449 374 HA PRO 54 HA PRO 54 10.696 13.918 -3.357 375 HB2 PRO 54 1HB PRO 54 9.621 11.946 -1.832 376 HB3 PRO 54 2HB PRO 54 8.652 12.978 -2.890 377 HG2 PRO 54 1HG PRO 54 9.672 10.204 -3.366 378 HG3 PRO 54 2HG PRO 54 8.075 10.886 -3.725 379 HD2 PRO 54 1HD PRO 54 9.986 10.574 -5.618 380 HD3 PRO 54 2HD PRO 54 8.805 11.899 -5.663 381 H GLY 55 H GLY 55 11.596 10.459 -3.398 382 HA2 GLY 55 1HA GLY 55 14.238 10.851 -2.562 383 HA3 GLY 55 2HA GLY 55 13.262 10.573 -1.127 384 H GLU 56 H GLU 56 14.908 8.724 -1.120 385 HA GLU 56 HA GLU 56 14.661 6.581 -2.929 386 HB2 GLU 56 1HB GLU 56 16.577 6.883 -1.396 387 HB3 GLU 56 2HB GLU 56 15.532 6.502 -0.035 388 HG2 GLU 56 1HG GLU 56 15.448 4.277 -0.537 389 HG3 GLU 56 2HG GLU 56 15.724 4.542 -2.258 390 H LYS 57 H LYS 57 13.486 6.747 0.437 391 HA LYS 57 HA LYS 57 11.105 5.244 -0.384 392 HB2 LYS 57 1HB LYS 57 12.863 4.560 1.979 393 HB3 LYS 57 2HB LYS 57 11.294 3.837 1.652 394 HG2 LYS 57 1HG LYS 57 13.489 3.713 -0.377 395 HG3 LYS 57 2HG LYS 57 13.417 2.564 0.961 396 HD2 LYS 57 1HD LYS 57 11.264 1.786 0.265 397 HD3 LYS 57 2HD LYS 57 11.131 3.071 -0.938 398 HE2 LYS 57 1HE LYS 57 11.709 1.022 -2.052 399 HE3 LYS 57 2HE LYS 57 13.097 2.108 -2.106 400 HZ1 LYS 57 1HZ LYS 57 12.912 -0.488 -0.995 401 HZ2 LYS 57 2HZ LYS 57 13.373 0.615 0.202 402 HZ3 LYS 57 3HZ LYS 57 14.282 0.480 -1.218 403 H VAL 58 H VAL 58 9.527 6.664 0.009 404 HA VAL 58 HA VAL 58 9.550 8.090 2.589 405 HB VAL 58 HB VAL 58 8.065 9.765 1.513 406 HG11 VAL 58 1HG1 VAL 58 10.179 10.607 1.571 407 HG12 VAL 58 2HG1 VAL 58 10.862 9.259 0.660 408 HG13 VAL 58 3HG1 VAL 58 9.967 10.528 -0.177 409 HG21 VAL 58 1HG2 VAL 58 7.960 9.797 -0.964 410 HG22 VAL 58 2HG2 VAL 58 8.695 8.195 -0.985 411 HG23 VAL 58 3HG2 VAL 58 7.109 8.427 -0.250 412 H PHE 59 H PHE 59 7.521 6.417 0.224 413 HA PHE 59 HA PHE 59 5.319 6.327 2.146 414 HB2 PHE 59 1HB PHE 59 5.500 5.612 -0.781 415 HB3 PHE 59 2HB PHE 59 4.075 5.285 0.198 416 HD1 PHE 59 1HD PHE 59 3.205 7.394 1.557 417 HD2 PHE 59 2HD PHE 59 5.545 7.554 -1.994 418 HE1 PHE 59 1HE PHE 59 2.382 9.672 1.122 419 HE2 PHE 59 2HE PHE 59 4.727 9.832 -2.435 420 HZ PHE 59 HZ PHE 59 3.144 10.894 -0.876 421 H GLN 60 H GLN 60 4.451 4.419 2.932 422 HA GLN 60 HA GLN 60 5.964 1.960 2.369 423 HB2 GLN 60 1HB GLN 60 6.695 2.912 4.523 424 HB3 GLN 60 2HB GLN 60 5.032 2.883 5.093 425 HG2 GLN 60 1HG GLN 60 5.026 0.630 5.403 426 HG3 GLN 60 2HG GLN 60 6.205 0.339 4.125 427 HE21 GLN 60 1HE2 GLN 60 7.854 -0.668 5.036 428 HE22 GLN 60 2HE2 GLN 60 8.670 -0.174 6.476 429 H VAL 61 H VAL 61 4.808 0.006 2.585 430 HA VAL 61 HA VAL 61 1.894 0.271 2.878 431 HB VAL 61 HB VAL 61 3.243 -1.365 0.727 432 HG11 VAL 61 1HG1 VAL 61 1.191 -2.388 1.456 433 HG12 VAL 61 2HG1 VAL 61 0.338 -0.848 1.348 434 HG13 VAL 61 3HG1 VAL 61 0.925 -1.637 -0.116 435 HG21 VAL 61 1HG2 VAL 61 2.730 1.394 0.777 436 HG22 VAL 61 2HG2 VAL 61 3.191 0.409 -0.611 437 HG23 VAL 61 3HG2 VAL 61 1.487 0.682 -0.251 438 H LYS 62 H LYS 62 0.871 -1.407 3.882 439 HA LYS 62 HA LYS 62 2.526 -3.709 4.677 440 HB2 LYS 62 1HB LYS 62 2.358 -2.261 6.599 441 HB3 LYS 62 2HB LYS 62 0.617 -2.117 6.395 442 HG2 LYS 62 1HG LYS 62 0.870 -3.622 8.152 443 HG3 LYS 62 2HG LYS 62 0.546 -4.646 6.751 444 HD2 LYS 62 1HD LYS 62 3.175 -4.648 6.570 445 HD3 LYS 62 2HD LYS 62 3.070 -4.263 8.289 446 HE2 LYS 62 1HE LYS 62 1.599 -6.252 8.575 447 HE3 LYS 62 2HE LYS 62 1.895 -6.660 6.886 448 HZ1 LYS 62 1HZ LYS 62 3.595 -7.829 7.707 449 HZ2 LYS 62 2HZ LYS 62 3.595 -7.010 9.187 450 HZ3 LYS 62 3HZ LYS 62 4.389 -6.341 7.850 451 H VAL 63 H VAL 63 1.531 -5.692 4.715 452 HA VAL 63 HA VAL 63 -1.299 -5.770 3.897 453 HB VAL 63 HB VAL 63 0.922 -7.551 2.884 454 HG11 VAL 63 1HG1 VAL 63 -1.568 -7.822 1.486 455 HG12 VAL 63 2HG1 VAL 63 -0.604 -9.056 2.301 456 HG13 VAL 63 3HG1 VAL 63 -1.805 -8.133 3.206 457 HG21 VAL 63 1HG2 VAL 63 0.209 -6.583 0.669 458 HG22 VAL 63 2HG2 VAL 63 -0.728 -5.396 1.578 459 HG23 VAL 63 3HG2 VAL 63 1.025 -5.462 1.759 460 H SER 64 H SER 64 -2.566 -6.993 5.136 461 HA SER 64 HA SER 64 -1.593 -9.359 6.457 462 HB2 SER 64 1HB SER 64 -1.061 -7.203 7.900 463 HB3 SER 64 2HB SER 64 -2.763 -7.351 8.338 464 HG SER 64 HG SER 64 -1.548 -8.531 9.795 465 H ALA 65 H ALA 65 -3.199 -10.796 6.768 466 HA ALA 65 HA ALA 65 -5.832 -10.115 5.814 467 HB1 ALA 65 1HB ALA 65 -4.377 -12.374 5.667 468 HB2 ALA 65 2HB ALA 65 -5.400 -12.754 7.053 469 HB3 ALA 65 3HB ALA 65 -6.133 -12.329 5.506 470 HA PRO 66 HA PRO 66 -7.280 -9.054 9.903 471 HB2 PRO 66 1HB PRO 66 -9.815 -8.457 9.135 472 HB3 PRO 66 2HB PRO 66 -8.452 -7.360 8.885 473 HG2 PRO 66 1HG PRO 66 -9.749 -9.242 6.951 474 HG3 PRO 66 2HG PRO 66 -9.210 -7.572 6.697 475 HD2 PRO 66 1HD PRO 66 -7.761 -9.711 5.886 476 HD3 PRO 66 2HD PRO 66 -7.008 -8.194 6.416 477 H GLU 67 H GLU 67 -9.239 -11.060 7.701 478 HA GLU 67 HA GLU 67 -10.635 -12.338 9.858 479 HB2 GLU 67 1HB GLU 67 -11.633 -11.997 7.607 480 HB3 GLU 67 2HB GLU 67 -10.474 -13.144 6.949 481 HG2 GLU 67 1HG GLU 67 -11.437 -14.946 8.119 482 HG3 GLU 67 2HG GLU 67 -12.386 -13.870 9.144 483 H GLU 68 H GLU 68 -8.337 -13.541 7.406 484 HA GLU 68 HA GLU 68 -7.899 -15.972 8.891 485 HB2 GLU 68 1HB GLU 68 -7.848 -15.623 6.315 486 HB3 GLU 68 2HB GLU 68 -6.202 -15.067 6.587 487 HG2 GLU 68 1HG GLU 68 -6.189 -17.391 5.975 488 HG3 GLU 68 2HG GLU 68 -5.668 -17.214 7.649 489 H GLN 69 H GLN 69 -5.834 -16.670 9.682 490 HA GLN 69 HA GLN 69 -4.573 -14.872 11.376 491 HB2 GLN 69 1HB GLN 69 -3.734 -17.542 10.277 492 HB3 GLN 69 2HB GLN 69 -2.694 -16.641 11.372 493 HG2 GLN 69 1HG GLN 69 -3.817 -18.018 12.819 494 HG3 GLN 69 2HG GLN 69 -4.798 -16.556 12.885 495 HE21 GLN 69 1HE2 GLN 69 -4.621 -19.847 11.822 496 HE22 GLN 69 2HE2 GLN 69 -6.288 -20.021 11.405 497 H PHE 70 H PHE 70 -2.213 -14.307 11.354 498 HA PHE 70 HA PHE 70 -1.515 -12.478 9.542 499 HB2 PHE 70 1HB PHE 70 0.346 -14.476 10.837 500 HB3 PHE 70 2HB PHE 70 0.894 -13.030 9.996 501 HD1 PHE 70 1HD PHE 70 0.271 -10.787 10.887 502 HD2 PHE 70 2HD PHE 70 -0.448 -14.380 13.052 503 HE1 PHE 70 1HE PHE 70 0.015 -9.484 12.958 504 HE2 PHE 70 2HE PHE 70 -0.706 -13.083 15.126 505 HZ PHE 70 HZ PHE 70 -0.475 -10.631 15.081 506 H THR 71 H THR 71 -0.394 -12.330 7.589 507 HA THR 71 HA THR 71 -0.282 -14.829 6.029 508 HB THR 71 HB THR 71 -2.092 -13.315 5.273 509 HG1 THR 71 1HG THR 71 0.115 -13.920 3.622 510 HG21 THR 71 1HG2 THR 71 -0.113 -11.327 5.637 511 HG22 THR 71 2HG2 THR 71 -1.781 -11.117 5.104 512 HG23 THR 71 3HG2 THR 71 -0.500 -11.368 3.917 513 H ARG 72 H ARG 72 1.405 -15.064 4.524 514 HA ARG 72 HA ARG 72 3.788 -13.516 5.200 515 HB2 ARG 72 1HB ARG 72 3.592 -16.130 5.065 516 HB3 ARG 72 2HB ARG 72 3.805 -15.861 3.340 517 HG2 ARG 72 1HG ARG 72 5.951 -16.289 4.156 518 HG3 ARG 72 2HG ARG 72 5.884 -14.536 3.965 519 HD2 ARG 72 1HD ARG 72 5.447 -14.275 6.341 520 HD3 ARG 72 2HD ARG 72 5.431 -16.026 6.548 521 HE ARG 72 HE ARG 72 7.708 -15.976 6.634 522 HH11 ARG 72 1HH1 ARG 72 6.592 -13.068 5.079 523 HH12 ARG 72 2HH1 ARG 72 8.171 -12.360 4.978 524 HH21 ARG 72 1HH2 ARG 72 9.791 -15.055 6.508 525 HH22 ARG 72 2HH2 ARG 72 9.989 -13.492 5.791 526 H VAL 73 H VAL 73 4.041 -11.721 4.034 527 HA VAL 73 HA VAL 73 4.095 -11.941 1.131 528 HB VAL 73 HB VAL 73 2.363 -9.926 2.566 529 HG11 VAL 73 1HG1 VAL 73 1.863 -9.029 0.338 530 HG12 VAL 73 2HG1 VAL 73 3.571 -8.852 0.747 531 HG13 VAL 73 3HG1 VAL 73 3.055 -10.122 -0.364 532 HG21 VAL 73 1HG2 VAL 73 1.430 -12.221 2.211 533 HG22 VAL 73 2HG2 VAL 73 0.523 -10.932 1.421 534 HG23 VAL 73 3HG2 VAL 73 1.601 -11.958 0.476 535 H GLY 74 H GLY 74 5.346 -10.338 0.106 536 HA2 GLY 74 1HA GLY 74 6.877 -8.604 1.943 537 HA3 GLY 74 2HA GLY 74 7.670 -9.542 0.686 538 H VAL 75 H VAL 75 5.456 -6.877 1.304 539 HA VAL 75 HA VAL 75 5.212 -6.061 -1.410 540 HB VAL 75 HB VAL 75 4.774 -4.485 1.130 541 HG11 VAL 75 1HG1 VAL 75 5.105 -2.925 -0.634 542 HG12 VAL 75 2HG1 VAL 75 4.100 -3.865 -1.739 543 HG13 VAL 75 3HG1 VAL 75 3.366 -3.038 -0.364 544 HG21 VAL 75 1HG2 VAL 75 3.061 -5.926 1.324 545 HG22 VAL 75 2HG2 VAL 75 2.321 -4.953 0.053 546 HG23 VAL 75 3HG2 VAL 75 3.172 -6.442 -0.359 547 H GLN 76 H GLN 76 6.044 -4.065 -2.323 548 HA GLN 76 HA GLN 76 8.311 -2.782 -1.122 549 HB2 GLN 76 1HB GLN 76 9.304 -4.894 -1.988 550 HB3 GLN 76 2HB GLN 76 8.781 -4.441 -3.604 551 HG2 GLN 76 1HG GLN 76 10.258 -2.599 -3.669 552 HG3 GLN 76 2HG GLN 76 10.600 -2.724 -1.944 553 HE21 GLN 76 1HE2 GLN 76 12.453 -3.633 -1.449 554 HE22 GLN 76 2HE2 GLN 76 13.326 -4.768 -2.416 555 H VAL 77 H VAL 77 8.864 -0.860 -2.140 556 HA VAL 77 HA VAL 77 6.961 0.016 -4.195 557 HB VAL 77 HB VAL 77 7.586 2.305 -3.572 558 HG11 VAL 77 1HG1 VAL 77 5.850 0.821 -2.319 559 HG12 VAL 77 2HG1 VAL 77 7.004 0.921 -0.988 560 HG13 VAL 77 3HG1 VAL 77 6.299 2.393 -1.658 561 HG21 VAL 77 1HG2 VAL 77 8.911 2.120 -1.176 562 HG22 VAL 77 2HG2 VAL 77 9.718 0.899 -2.159 563 HG23 VAL 77 3HG2 VAL 77 9.638 2.570 -2.719 564 H LEU 78 H LEU 78 7.766 -0.374 -6.172 565 HA LEU 78 HA LEU 78 10.600 0.048 -6.707 566 HB2 LEU 78 1HB LEU 78 9.044 -1.906 -7.539 567 HB3 LEU 78 2HB LEU 78 8.646 -0.752 -8.810 568 HG LEU 78 HG LEU 78 10.407 -2.390 -9.434 569 HD11 LEU 78 1HD1 LEU 78 12.049 -0.083 -9.655 570 HD12 LEU 78 2HD1 LEU 78 10.365 0.416 -9.807 571 HD13 LEU 78 3HD1 LEU 78 11.016 -0.825 -10.877 572 HD21 LEU 78 1HD2 LEU 78 12.474 -2.485 -8.410 573 HD22 LEU 78 2HD2 LEU 78 11.396 -2.261 -7.032 574 HD23 LEU 78 3HD2 LEU 78 12.302 -0.891 -7.675 575 H ASP 79 H ASP 79 11.399 1.778 -7.716 576 HA ASP 79 HA ASP 79 9.556 3.877 -8.538 577 HB2 ASP 79 1HB ASP 79 12.562 3.838 -8.215 578 HB3 ASP 79 2HB ASP 79 11.646 5.248 -8.741 579 H ARG 80 H ARG 80 8.774 3.621 -10.540 580 HA ARG 80 HA ARG 80 10.488 2.591 -12.660 581 HB2 ARG 80 1HB ARG 80 7.605 3.428 -12.924 582 HB3 ARG 80 2HB ARG 80 8.515 2.332 -13.956 583 HG2 ARG 80 1HG ARG 80 8.634 0.717 -12.110 584 HG3 ARG 80 2HG ARG 80 7.676 1.812 -11.111 585 HD2 ARG 80 1HD ARG 80 6.785 0.603 -13.727 586 HD3 ARG 80 2HD ARG 80 6.317 0.028 -12.127 587 HE ARG 80 HE ARG 80 4.896 1.842 -11.909 588 HH11 ARG 80 1HH1 ARG 80 6.829 2.141 -14.789 589 HH12 ARG 80 2HH1 ARG 80 5.882 3.434 -15.447 590 HH21 ARG 80 1HH2 ARG 80 3.642 3.544 -12.765 591 HH22 ARG 80 2HH2 ARG 80 4.070 4.232 -14.295 592 H LYS 81 H LYS 81 11.319 5.058 -11.722 593 HA LYS 81 HA LYS 81 11.601 7.285 -12.264 594 HB2 LYS 81 1HB LYS 81 11.876 5.899 -14.937 595 HB3 LYS 81 2HB LYS 81 12.455 7.522 -14.585 596 HG2 LYS 81 1HG LYS 81 13.371 5.266 -12.873 597 HG3 LYS 81 2HG LYS 81 14.065 5.463 -14.484 598 HD2 LYS 81 1HD LYS 81 13.894 7.868 -12.748 599 HD3 LYS 81 2HD LYS 81 15.101 6.646 -12.341 600 HE2 LYS 81 1HE LYS 81 14.796 8.041 -14.999 601 HE3 LYS 81 2HE LYS 81 16.049 8.352 -13.798 602 HZ1 LYS 81 1HZ LYS 81 17.111 6.938 -15.236 603 HZ2 LYS 81 2HZ LYS 81 15.721 6.037 -15.579 604 HZ3 LYS 81 3HZ LYS 81 16.517 5.833 -14.100 605 H ASP 82 H ASP 82 8.921 6.924 -11.986 606 HA ASP 82 HA ASP 82 7.854 8.636 -14.124 607 HB2 ASP 82 1HB ASP 82 7.109 6.204 -14.315 608 HB3 ASP 82 2HB ASP 82 6.221 6.463 -12.816 609 H GLY 83 H GLY 83 8.864 9.645 -11.784 610 HA2 GLY 83 1HA GLY 83 8.335 10.783 -9.836 611 HA3 GLY 83 2HA GLY 83 7.043 11.402 -10.854 612 H SER 84 H SER 84 7.141 8.028 -10.054 613 HA SER 84 HA SER 84 5.273 8.347 -7.846 614 HB2 SER 84 1HB SER 84 3.557 6.937 -8.862 615 HB3 SER 84 2HB SER 84 3.849 8.352 -9.873 616 HG SER 84 HG SER 84 4.000 5.807 -10.564 617 H PHE 85 H PHE 85 4.546 6.024 -7.129 618 HA PHE 85 HA PHE 85 6.818 4.176 -7.388 619 HB2 PHE 85 1HB PHE 85 5.411 4.895 -4.807 620 HB3 PHE 85 2HB PHE 85 6.669 3.676 -4.981 621 HD1 PHE 85 2HD PHE 85 6.022 7.304 -5.462 622 HD2 PHE 85 1HD PHE 85 8.895 4.255 -4.708 623 HE1 PHE 85 2HE PHE 85 7.735 9.023 -5.060 624 HE2 PHE 85 1HE PHE 85 10.613 5.970 -4.303 625 HZ PHE 85 HZ PHE 85 10.034 8.357 -4.480 626 H ILE 86 H ILE 86 6.264 2.125 -7.781 627 HA ILE 86 HA ILE 86 3.416 1.450 -7.767 628 HB ILE 86 HB ILE 86 4.993 1.097 -9.792 629 HG12 ILE 86 1HG1 ILE 86 3.782 -1.096 -10.318 630 HG13 ILE 86 2HG1 ILE 86 3.076 -0.966 -8.710 631 HG21 ILE 86 1HG2 ILE 86 6.592 -0.190 -8.157 632 HG22 ILE 86 2HG2 ILE 86 5.554 -1.557 -8.562 633 HG23 ILE 86 3HG2 ILE 86 6.420 -0.699 -9.837 634 HD11 ILE 86 1HD1 ILE 86 2.557 1.496 -9.735 635 HD12 ILE 86 2HD1 ILE 86 2.439 0.474 -11.168 636 HD13 ILE 86 3HD1 ILE 86 1.442 0.131 -9.755 637 H VAL 87 H VAL 87 2.548 -0.100 -6.503 638 HA VAL 87 HA VAL 87 4.325 -1.360 -4.533 639 HB VAL 87 HB VAL 87 1.318 -1.094 -4.432 640 HG11 VAL 87 1HG1 VAL 87 2.906 -2.835 -3.062 641 HG12 VAL 87 2HG1 VAL 87 2.841 -1.461 -1.957 642 HG13 VAL 87 3HG1 VAL 87 1.349 -2.230 -2.498 643 HG21 VAL 87 1HG2 VAL 87 2.265 0.514 -2.461 644 HG22 VAL 87 2HG2 VAL 87 3.480 0.761 -3.715 645 HG23 VAL 87 3HG2 VAL 87 1.780 1.076 -4.061 646 H ARG 88 H ARG 88 4.914 -3.369 -5.002 647 HA ARG 88 HA ARG 88 2.878 -5.249 -5.955 648 HB2 ARG 88 1HB ARG 88 4.705 -6.261 -7.437 649 HB3 ARG 88 2HB ARG 88 3.948 -4.773 -7.989 650 HG2 ARG 88 1HG ARG 88 6.119 -4.240 -8.365 651 HG3 ARG 88 2HG ARG 88 5.984 -3.689 -6.694 652 HD2 ARG 88 1HD ARG 88 7.981 -4.948 -6.814 653 HD3 ARG 88 2HD ARG 88 6.799 -5.975 -6.004 654 HE ARG 88 HE ARG 88 6.545 -6.753 -8.552 655 HH11 ARG 88 1HH1 ARG 88 9.352 -6.267 -6.552 656 HH12 ARG 88 2HH1 ARG 88 10.296 -7.477 -7.356 657 HH21 ARG 88 1HH2 ARG 88 7.777 -8.349 -9.619 658 HH22 ARG 88 2HH2 ARG 88 9.399 -8.660 -9.101 659 H TYR 89 H TYR 89 3.205 -7.401 -5.340 660 HA TYR 89 HA TYR 89 5.474 -7.932 -3.555 661 HB2 TYR 89 1HB TYR 89 3.785 -9.203 -2.086 662 HB3 TYR 89 2HB TYR 89 3.816 -7.447 -1.966 663 HD1 TYR 89 2HD TYR 89 2.000 -10.267 -3.568 664 HD2 TYR 89 1HD TYR 89 1.873 -6.193 -2.346 665 HE1 TYR 89 2HE TYR 89 -0.405 -10.196 -4.075 666 HE2 TYR 89 1HE TYR 89 -0.534 -6.112 -2.849 667 HH TYR 89 HH TYR 89 -2.095 -7.699 -4.633 668 H ARG 90 H ARG 90 5.623 -10.312 -3.024 669 HA ARG 90 HA ARG 90 4.975 -11.862 -5.440 670 HB2 ARG 90 1HB ARG 90 7.363 -11.648 -5.047 671 HB3 ARG 90 2HB ARG 90 7.175 -12.243 -3.403 672 HG2 ARG 90 1HG ARG 90 8.002 -14.059 -4.620 673 HG3 ARG 90 2HG ARG 90 6.276 -14.379 -4.444 674 HD2 ARG 90 1HD ARG 90 6.695 -14.859 -6.683 675 HD3 ARG 90 2HD ARG 90 6.039 -13.223 -6.726 676 HE ARG 90 HE ARG 90 8.898 -13.277 -6.572 677 HH11 ARG 90 1HH1 ARG 90 6.167 -13.481 -8.721 678 HH12 ARG 90 2HH1 ARG 90 7.052 -12.937 -10.108 679 HH21 ARG 90 1HH2 ARG 90 10.074 -12.561 -8.390 680 HH22 ARG 90 2HH2 ARG 90 9.275 -12.415 -9.919 681 H MET 91 H MET 91 3.947 -13.811 -5.293 682 HA MET 91 HA MET 91 3.519 -15.117 -2.768 683 HB2 MET 91 1HB MET 91 1.818 -13.359 -2.639 684 HB3 MET 91 2HB MET 91 1.171 -13.855 -4.197 685 HG2 MET 91 1HG MET 91 -0.290 -14.892 -2.794 686 HG3 MET 91 2HG MET 91 0.907 -16.168 -3.003 687 HE1 MET 91 1HE MET 91 -0.790 -14.754 0.694 688 HE2 MET 91 2HE MET 91 -1.358 -14.863 -0.972 689 HE3 MET 91 3HE MET 91 -0.986 -16.333 -0.069 690 H TYR 92 H TYR 92 2.878 -17.239 -3.000 691 HA TYR 92 HA TYR 92 2.749 -18.204 -5.774 692 HB2 TYR 92 1HB TYR 92 3.523 -19.657 -3.236 693 HB3 TYR 92 2HB TYR 92 3.456 -20.389 -4.835 694 HD1 TYR 92 1HD TYR 92 5.039 -17.483 -3.095 695 HD2 TYR 92 2HD TYR 92 5.413 -20.518 -6.054 696 HE1 TYR 92 1HE TYR 92 7.364 -16.793 -3.501 697 HE2 TYR 92 2HE TYR 92 7.740 -19.837 -6.466 698 HH TYR 92 HH TYR 92 9.197 -17.990 -6.171 699 H ALA 93 H ALA 93 1.319 -18.708 -2.562 700 HA ALA 93 HA ALA 93 -0.770 -20.400 -3.582 701 HB1 ALA 93 1HB ALA 93 -1.207 -19.208 -0.948 702 HB2 ALA 93 2HB ALA 93 -1.161 -20.903 -1.436 703 HB3 ALA 93 3HB ALA 93 0.342 -20.037 -1.113 704 H SER 94 H SER 94 -3.103 -19.832 -2.981 705 HA SER 94 HA SER 94 -3.675 -17.212 -4.131 706 HB2 SER 94 1HB SER 94 -4.837 -19.037 -5.178 707 HB3 SER 94 2HB SER 94 -5.413 -19.634 -3.622 708 HG SER 94 HG SER 94 -6.407 -17.635 -5.214 709 H TYR 95 H TYR 95 -5.018 -15.687 -3.163 710 HA TYR 95 HA TYR 95 -5.435 -16.062 -0.269 711 HB2 TYR 95 1HB TYR 95 -5.254 -13.547 -0.140 712 HB3 TYR 95 2HB TYR 95 -3.764 -14.384 -0.560 713 HD1 TYR 95 1HD TYR 95 -6.645 -12.581 -2.084 714 HD2 TYR 95 2HD TYR 95 -2.577 -13.767 -2.471 715 HE1 TYR 95 1HE TYR 95 -6.434 -11.180 -4.094 716 HE2 TYR 95 2HE TYR 95 -2.355 -12.368 -4.482 717 HH TYR 95 HH TYR 95 -4.310 -11.462 -6.317 718 H LYS 96 H LYS 96 -7.358 -15.381 0.637 719 HA LYS 96 HA LYS 96 -9.540 -14.962 -1.274 720 HB2 LYS 96 1HB LYS 96 -9.539 -15.841 1.616 721 HB3 LYS 96 2HB LYS 96 -11.002 -15.536 0.690 722 HG2 LYS 96 1HG LYS 96 -10.772 -17.424 -0.565 723 HG3 LYS 96 2HG LYS 96 -9.012 -17.431 -0.433 724 HD2 LYS 96 1HD LYS 96 -9.828 -19.272 0.842 725 HD3 LYS 96 2HD LYS 96 -9.291 -18.040 1.986 726 HE2 LYS 96 1HE LYS 96 -11.423 -17.546 2.663 727 HE3 LYS 96 2HE LYS 96 -12.138 -18.023 1.124 728 HZ1 LYS 96 1HZ LYS 96 -12.540 -19.517 3.125 729 HZ2 LYS 96 2HZ LYS 96 -10.933 -20.014 2.945 730 HZ3 LYS 96 3HZ LYS 96 -12.041 -20.266 1.692 731 H ASN 97 H ASN 97 -8.436 -13.739 1.887 732 HA ASN 97 HA ASN 97 -9.657 -11.149 1.196 733 HB2 ASN 97 1HB ASN 97 -10.280 -10.814 3.505 734 HB3 ASN 97 2HB ASN 97 -10.930 -12.361 2.971 735 HD21 ASN 97 1HD2 ASN 97 -9.233 -10.795 5.354 736 HD22 ASN 97 2HD2 ASN 97 -8.547 -12.168 6.147 737 H LEU 98 H LEU 98 -8.235 -9.551 1.079 738 HA LEU 98 HA LEU 98 -5.841 -9.645 2.780 739 HB2 LEU 98 1HB LEU 98 -5.975 -9.145 -0.179 740 HB3 LEU 98 2HB LEU 98 -4.616 -8.603 0.804 741 HG LEU 98 HG LEU 98 -5.486 -11.467 0.418 742 HD11 LEU 98 1HD1 LEU 98 -3.180 -9.888 -0.702 743 HD12 LEU 98 2HD1 LEU 98 -4.501 -10.637 -1.597 744 HD13 LEU 98 3HD1 LEU 98 -3.310 -11.645 -0.775 745 HD21 LEU 98 1HD2 LEU 98 -3.291 -10.200 2.034 746 HD22 LEU 98 2HD2 LEU 98 -3.234 -11.885 1.517 747 HD23 LEU 98 3HD2 LEU 98 -4.537 -11.329 2.568 748 H LYS 99 H LYS 99 -5.057 -7.663 3.473 749 HA LYS 99 HA LYS 99 -6.762 -5.340 2.856 750 HB2 LYS 99 1HB LYS 99 -7.276 -5.738 5.076 751 HB3 LYS 99 2HB LYS 99 -5.670 -6.353 5.447 752 HG2 LYS 99 1HG LYS 99 -4.758 -4.195 5.586 753 HG3 LYS 99 2HG LYS 99 -6.157 -3.464 4.796 754 HD2 LYS 99 1HD LYS 99 -6.135 -3.045 7.220 755 HD3 LYS 99 2HD LYS 99 -7.545 -3.984 6.722 756 HE2 LYS 99 1HE LYS 99 -6.751 -5.930 7.686 757 HE3 LYS 99 2HE LYS 99 -5.073 -5.389 7.641 758 HZ1 LYS 99 1HZ LYS 99 -5.288 -4.701 9.718 759 HZ2 LYS 99 2HZ LYS 99 -6.907 -5.190 9.750 760 HZ3 LYS 99 3HZ LYS 99 -6.507 -3.621 9.259 761 H VAL 100 H VAL 100 -5.767 -3.307 2.709 762 HA VAL 100 HA VAL 100 -2.828 -3.371 2.485 763 HB VAL 100 HB VAL 100 -4.755 -1.853 0.722 764 HG11 VAL 100 1HG1 VAL 100 -1.905 -1.990 0.013 765 HG12 VAL 100 2HG1 VAL 100 -3.048 -0.651 -0.119 766 HG13 VAL 100 3HG1 VAL 100 -2.283 -1.009 1.429 767 HG21 VAL 100 1HG2 VAL 100 -2.802 -3.836 -0.317 768 HG22 VAL 100 2HG2 VAL 100 -4.255 -4.440 0.478 769 HG23 VAL 100 3HG2 VAL 100 -4.394 -3.388 -0.930 770 H GLU 101 H GLU 101 -1.777 -1.910 3.666 771 HA GLU 101 HA GLU 101 -3.270 0.435 4.643 772 HB2 GLU 101 1HB GLU 101 -1.610 -1.545 6.116 773 HB3 GLU 101 2HB GLU 101 -1.491 0.137 6.615 774 HG2 GLU 101 1HG GLU 101 -4.116 -0.018 6.590 775 HG3 GLU 101 2HG GLU 101 -3.788 -1.738 6.790 776 H ILE 102 H ILE 102 -2.372 2.339 4.201 777 HA ILE 102 HA ILE 102 0.504 2.427 3.575 778 HB ILE 102 HB ILE 102 -1.617 4.042 2.159 779 HG12 ILE 102 1HG1 ILE 102 -0.726 2.541 0.193 780 HG13 ILE 102 2HG1 ILE 102 -0.293 1.438 1.494 781 HG21 ILE 102 1HG2 ILE 102 0.679 4.006 0.630 782 HG22 ILE 102 2HG2 ILE 102 0.128 5.334 1.651 783 HG23 ILE 102 3HG2 ILE 102 1.283 4.159 2.280 784 HD11 ILE 102 1HD1 ILE 102 -2.469 0.987 2.018 785 HD12 ILE 102 2HD1 ILE 102 -3.054 2.534 1.404 786 HD13 ILE 102 3HD1 ILE 102 -2.598 1.255 0.279 787 H LYS 103 H LYS 103 1.382 3.482 5.241 788 HA LYS 103 HA LYS 103 0.060 5.942 6.181 789 HB2 LYS 103 1HB LYS 103 1.990 4.174 7.695 790 HB3 LYS 103 2HB LYS 103 1.181 5.604 8.323 791 HG2 LYS 103 1HG LYS 103 -0.816 4.540 8.573 792 HG3 LYS 103 2HG LYS 103 -0.509 3.414 7.249 793 HD2 LYS 103 1HD LYS 103 0.714 1.983 8.572 794 HD3 LYS 103 2HD LYS 103 1.181 3.256 9.701 795 HE2 LYS 103 1HE LYS 103 -1.357 3.322 10.261 796 HE3 LYS 103 2HE LYS 103 -1.380 1.719 9.527 797 HZ1 LYS 103 1HZ LYS 103 0.774 1.763 11.268 798 HZ2 LYS 103 2HZ LYS 103 -0.680 0.919 11.453 799 HZ3 LYS 103 3HZ LYS 103 -0.514 2.470 12.107 800 H PHE 104 H PHE 104 1.431 7.722 6.776 801 HA PHE 104 HA PHE 104 4.184 7.653 5.831 802 HB2 PHE 104 1HB PHE 104 3.293 8.374 3.806 803 HB3 PHE 104 2HB PHE 104 1.997 9.278 4.583 804 HD1 PHE 104 1HD PHE 104 5.501 9.321 3.554 805 HD2 PHE 104 2HD PHE 104 2.368 11.513 5.424 806 HE1 PHE 104 1HE PHE 104 6.819 11.387 3.334 807 HE2 PHE 104 2HE PHE 104 3.680 13.582 5.205 808 HZ PHE 104 HZ PHE 104 5.909 13.521 4.158 809 H GLN 105 H GLN 105 5.437 8.666 7.246 810 HA GLN 105 HA GLN 105 6.081 9.888 9.059 811 HB2 GLN 105 1HB GLN 105 4.466 11.738 7.380 812 HB3 GLN 105 2HB GLN 105 4.903 12.283 8.994 813 HG2 GLN 105 1HG GLN 105 7.299 11.589 8.323 814 HG3 GLN 105 2HG GLN 105 6.673 11.642 6.675 815 HE21 GLN 105 1HE2 GLN 105 8.167 13.344 6.278 816 HE22 GLN 105 2HE2 GLN 105 7.814 14.957 6.785 817 H GLY 106 H GLY 106 3.650 8.192 9.304 818 HA2 GLY 106 1HA GLY 106 2.406 7.646 11.198 819 HA3 GLY 106 2HA GLY 106 2.811 9.212 11.885 820 H GLN 107 H GLN 107 1.241 8.382 8.807 821 HA GLN 107 HA GLN 107 -1.368 9.090 9.656 822 HB2 GLN 107 1HB GLN 107 -1.630 11.252 8.972 823 HB3 GLN 107 2HB GLN 107 0.067 11.317 9.429 824 HG2 GLN 107 1HG GLN 107 0.717 10.991 7.105 825 HG3 GLN 107 2HG GLN 107 -0.981 10.898 6.639 826 HE21 GLN 107 1HE2 GLN 107 1.592 12.972 7.709 827 HE22 GLN 107 2HE2 GLN 107 0.811 14.469 7.345 828 H HIS 108 H HIS 108 -2.713 8.032 8.361 829 HA HIS 108 HA HIS 108 -1.889 6.575 6.132 830 HB2 HIS 108 1HB HIS 108 -4.643 7.458 7.003 831 HB3 HIS 108 2HB HIS 108 -4.365 6.355 5.659 832 HD1 HIS 108 1HD HIS 108 -4.812 4.045 6.382 833 HD2 HIS 108 2HD HIS 108 -3.032 6.277 9.400 834 HE1 HIS 108 1HE HIS 108 -4.528 2.459 8.312 835 HE2 HIS 108 2HE HIS 108 -3.527 3.854 10.156 836 H VAL 109 H VAL 109 -2.722 6.779 3.894 837 HA VAL 109 HA VAL 109 -2.708 9.601 3.042 838 HB VAL 109 HB VAL 109 -1.712 7.165 1.559 839 HG11 VAL 109 1HG1 VAL 109 -1.827 8.301 -0.346 840 HG12 VAL 109 2HG1 VAL 109 -2.743 9.548 0.504 841 HG13 VAL 109 3HG1 VAL 109 -0.988 9.676 0.371 842 HG21 VAL 109 1HG2 VAL 109 0.074 9.441 2.050 843 HG22 VAL 109 2HG2 VAL 109 -0.429 8.571 3.499 844 HG23 VAL 109 3HG2 VAL 109 0.377 7.709 2.188 845 H ALA 110 H ALA 110 -4.107 6.412 2.464 846 HA ALA 110 HA ALA 110 -6.260 7.706 0.921 847 HB1 ALA 110 1HB ALA 110 -6.487 5.817 -0.413 848 HB2 ALA 110 2HB ALA 110 -4.740 5.958 -0.210 849 HB3 ALA 110 3HB ALA 110 -5.646 4.780 0.741 850 H LYS 111 H LYS 111 -8.201 5.885 0.938 851 HA LYS 111 HA LYS 111 -9.465 6.192 3.388 852 HB2 LYS 111 1HB LYS 111 -10.974 5.678 1.745 853 HB3 LYS 111 2HB LYS 111 -9.912 4.497 0.989 854 HG2 LYS 111 1HG LYS 111 -11.780 3.332 1.885 855 HG3 LYS 111 2HG LYS 111 -10.382 2.961 2.897 856 HD2 LYS 111 1HD LYS 111 -12.095 3.378 4.430 857 HD3 LYS 111 2HD LYS 111 -11.192 4.894 4.380 858 HE2 LYS 111 1HE LYS 111 -12.835 5.797 2.788 859 HE3 LYS 111 2HE LYS 111 -13.744 4.289 2.886 860 HZ1 LYS 111 1HZ LYS 111 -14.147 4.693 5.212 861 HZ2 LYS 111 2HZ LYS 111 -14.659 6.033 4.317 862 HZ3 LYS 111 3HZ LYS 111 -13.206 6.098 5.179 863 H SER 112 H SER 112 -6.957 4.076 2.567 864 HA SER 112 HA SER 112 -7.239 1.727 3.789 865 HB2 SER 112 1HB SER 112 -4.879 3.508 4.424 866 HB3 SER 112 2HB SER 112 -4.905 1.746 4.376 867 HG SER 112 HG SER 112 -5.686 2.282 2.052 868 HA PRO 113 HA PRO 113 -6.016 0.338 5.229 869 HB2 PRO 113 1HB PRO 113 -7.321 -1.514 6.725 870 HB3 PRO 113 2HB PRO 113 -5.870 -0.675 7.286 871 HG2 PRO 113 1HG PRO 113 -8.744 -0.116 7.911 872 HG3 PRO 113 2HG PRO 113 -7.344 -0.128 9.000 873 HD2 PRO 113 1HD PRO 113 -8.405 2.161 8.016 874 HD3 PRO 113 2HD PRO 113 -6.673 1.984 8.364 875 H TYR 114 H TYR 114 -6.760 -0.967 3.613 876 HA TYR 114 HA TYR 114 -9.571 -0.633 2.866 877 HB2 TYR 114 1HB TYR 114 -7.094 -1.397 1.343 878 HB3 TYR 114 2HB TYR 114 -8.694 -1.719 0.683 879 HD1 TYR 114 1HD TYR 114 -10.327 0.394 0.772 880 HD2 TYR 114 2HD TYR 114 -6.076 0.586 0.757 881 HE1 TYR 114 1HE TYR 114 -10.440 2.696 -0.086 882 HE2 TYR 114 2HE TYR 114 -6.178 2.889 -0.100 883 HH TYR 114 HH TYR 114 -7.708 4.338 -1.306 884 H ILE 115 H ILE 115 -10.918 -2.169 3.510 885 HA ILE 115 HA ILE 115 -9.934 -4.872 3.996 886 HB ILE 115 HB ILE 115 -12.742 -3.885 4.457 887 HG12 ILE 115 1HG1 ILE 115 -11.182 -2.389 5.627 888 HG13 ILE 115 2HG1 ILE 115 -12.084 -3.384 6.765 889 HG21 ILE 115 1HG2 ILE 115 -12.881 -5.702 6.023 890 HG22 ILE 115 2HG2 ILE 115 -12.306 -6.327 4.479 891 HG23 ILE 115 3HG2 ILE 115 -11.171 -6.076 5.804 892 HD11 ILE 115 1HD1 ILE 115 -9.532 -4.536 5.930 893 HD12 ILE 115 2HD1 ILE 115 -9.398 -3.010 6.805 894 HD13 ILE 115 3HD1 ILE 115 -10.240 -4.376 7.537 895 H LEU 116 H LEU 116 -9.997 -6.311 2.412 896 HA LEU 116 HA LEU 116 -12.247 -6.220 0.514 897 HB2 LEU 116 1HB LEU 116 -9.362 -6.884 -0.045 898 HB3 LEU 116 2HB LEU 116 -10.679 -7.133 -1.189 899 HG LEU 116 HG LEU 116 -11.029 -4.529 -0.733 900 HD11 LEU 116 1HD1 LEU 116 -9.383 -3.848 0.659 901 HD12 LEU 116 2HD1 LEU 116 -8.480 -3.736 -0.851 902 HD13 LEU 116 3HD1 LEU 116 -8.289 -5.149 0.187 903 HD21 LEU 116 1HD2 LEU 116 -9.518 -4.151 -2.725 904 HD22 LEU 116 2HD2 LEU 116 -10.777 -5.370 -2.927 905 HD23 LEU 116 3HD2 LEU 116 -9.111 -5.865 -2.627 906 H LYS 117 H LYS 117 -13.489 -7.820 1.357 907 HA LYS 117 HA LYS 117 -12.242 -10.480 1.603 908 HB2 LYS 117 1HB LYS 117 -13.954 -11.029 3.270 909 HB3 LYS 117 2HB LYS 117 -12.997 -9.642 3.773 910 HG2 LYS 117 1HG LYS 117 -14.773 -8.136 3.134 911 HG3 LYS 117 2HG LYS 117 -15.724 -9.483 2.506 912 HD2 LYS 117 1HD LYS 117 -16.059 -10.380 4.667 913 HD3 LYS 117 2HD LYS 117 -14.813 -9.346 5.370 914 HE2 LYS 117 1HE LYS 117 -16.199 -7.378 4.911 915 HE3 LYS 117 2HE LYS 117 -17.443 -8.417 4.219 916 HZ1 LYS 117 1HZ LYS 117 -17.503 -7.639 6.725 917 HZ2 LYS 117 2HZ LYS 117 -16.550 -9.021 6.932 918 HZ3 LYS 117 3HZ LYS 117 -18.091 -9.151 6.247 919 H GLY 118 H GLY 118 -13.340 -12.253 0.759 920 HA2 GLY 118 1HA GLY 118 -15.954 -12.177 -0.298 921 HA3 GLY 118 2HA GLY 118 -14.807 -11.843 -1.587 922 H SER 119 H SER 119 -16.653 -14.171 -0.862 923 HA SER 119 HA SER 119 -14.853 -16.230 -1.743 924 HB2 SER 119 1HB SER 119 -14.477 -16.194 0.734 925 HB3 SER 119 2HB SER 119 -16.181 -16.589 0.953 926 HG SER 119 HG SER 119 -14.701 -18.214 -0.757 927 H GLY 120 H GLY 120 -15.994 -17.208 -3.270 928 HA2 GLY 120 1HA GLY 120 -17.737 -18.187 -4.395 929 HA3 GLY 120 2HA GLY 120 -18.400 -18.567 -2.812 930 HA PRO 121 HA PRO 121 -21.194 -15.555 -5.053 931 HB2 PRO 121 1HB PRO 121 -23.432 -17.083 -4.887 932 HB3 PRO 121 2HB PRO 121 -22.283 -17.205 -6.224 933 HG2 PRO 121 1HG PRO 121 -22.552 -18.934 -3.796 934 HG3 PRO 121 2HG PRO 121 -22.275 -19.408 -5.481 935 HD2 PRO 121 1HD PRO 121 -20.280 -19.297 -3.653 936 HD3 PRO 121 2HD PRO 121 -20.019 -18.945 -5.373 937 H SER 122 H SER 122 -22.186 -14.022 -3.895 938 HA SER 122 HA SER 122 -22.378 -14.157 -1.090 939 HB2 SER 122 1HB SER 122 -23.323 -12.223 -3.173 940 HB3 SER 122 2HB SER 122 -23.893 -12.047 -1.514 941 HG SER 122 HG SER 122 -21.568 -12.153 -0.955 942 H SER 123 H SER 123 -23.975 -14.744 0.256 943 HA SER 123 HA SER 123 -26.293 -16.059 -0.873 944 HB2 SER 123 1HB SER 123 -25.389 -15.727 1.998 945 HB3 SER 123 2HB SER 123 -26.765 -16.702 1.482 946 HG SER 123 HG SER 123 -24.508 -17.679 1.767 947 H GLY 124 H GLY 124 -28.046 -14.933 -1.383 948 HA2 GLY 124 1HA GLY 124 -28.581 -12.373 -0.119 949 HA3 GLY 124 2HA GLY 124 -29.465 -13.081 -1.463 Start of MODEL 19 1 H1 GLY 1 H GLY 1 16.977 8.781 6.383 2 HA2 GLY 1 1HA GLY 1 18.296 10.580 6.939 3 HA3 GLY 1 2HA GLY 1 19.607 9.598 6.300 4 H SER 2 H SER 2 18.414 12.560 6.130 5 HA SER 2 HA SER 2 17.921 13.280 3.545 6 HB2 SER 2 1HB SER 2 19.675 14.793 5.495 7 HB3 SER 2 2HB SER 2 18.876 15.480 4.080 8 HG SER 2 HG SER 2 17.827 15.618 6.286 9 H SER 3 H SER 3 18.943 12.756 1.738 10 HA SER 3 HA SER 3 21.874 12.958 1.668 11 HB2 SER 3 1HB SER 3 20.252 10.728 0.417 12 HB3 SER 3 2HB SER 3 21.996 10.940 0.271 13 HG SER 3 HG SER 3 21.977 9.682 1.974 14 H GLY 4 H GLY 4 22.765 13.609 -0.303 15 HA2 GLY 4 1HA GLY 4 22.128 13.853 -2.776 16 HA3 GLY 4 2HA GLY 4 20.809 14.824 -2.141 17 H SER 5 H SER 5 21.331 16.791 -2.952 18 HA SER 5 HA SER 5 24.026 17.803 -2.837 19 HB2 SER 5 1HB SER 5 21.399 18.886 -3.811 20 HB3 SER 5 2HB SER 5 22.785 19.958 -3.620 21 HG SER 5 HG SER 5 22.420 18.821 -5.739 22 H SER 6 H SER 6 24.917 18.848 -1.193 23 HA SER 6 HA SER 6 23.708 19.234 1.271 24 HB2 SER 6 1HB SER 6 25.643 20.720 1.785 25 HB3 SER 6 2HB SER 6 26.125 19.194 1.043 26 HG SER 6 HG SER 6 25.938 20.560 -1.003 27 H GLY 7 H GLY 7 21.949 20.433 1.615 28 HA2 GLY 7 1HA GLY 7 21.839 23.129 1.785 29 HA3 GLY 7 2HA GLY 7 21.442 22.841 0.097 30 H GLU 8 H GLU 8 20.268 22.958 3.276 31 HA GLU 8 HA GLU 8 17.687 21.845 2.389 32 HB2 GLU 8 1HB GLU 8 17.342 21.515 4.943 33 HB3 GLU 8 2HB GLU 8 18.327 20.362 4.055 34 HG2 GLU 8 1HG GLU 8 20.333 21.284 4.889 35 HG3 GLU 8 2HG GLU 8 19.500 22.703 5.521 36 H THR 9 H THR 9 16.122 23.295 2.234 37 HA THR 9 HA THR 9 15.872 25.424 4.190 38 HB THR 9 HB THR 9 15.969 26.168 1.267 39 HG1 THR 9 1HG THR 9 18.006 26.026 3.201 40 HG21 THR 9 1HG2 THR 9 14.671 27.566 2.948 41 HG22 THR 9 2HG2 THR 9 15.909 28.411 2.017 42 HG23 THR 9 3HG2 THR 9 16.228 27.940 3.687 43 H GLY 10 H GLY 10 13.786 26.125 4.453 44 HA2 GLY 10 1HA GLY 10 11.717 24.467 3.405 45 HA3 GLY 10 2HA GLY 10 11.497 25.886 4.419 46 H GLY 11 H GLY 11 9.854 26.866 3.329 47 HA2 GLY 11 1HA GLY 11 9.078 28.423 1.791 48 HA3 GLY 11 2HA GLY 11 10.572 28.230 0.886 49 H GLU 12 H GLU 12 10.659 25.675 0.156 50 HA GLU 12 HA GLU 12 9.088 25.454 -2.062 51 HB2 GLU 12 1HB GLU 12 10.340 23.327 -0.340 52 HB3 GLU 12 2HB GLU 12 9.464 22.922 -1.809 53 HG2 GLU 12 1HG GLU 12 11.060 23.796 -3.175 54 HG3 GLU 12 2HG GLU 12 11.586 24.985 -1.985 55 H ARG 13 H ARG 13 7.325 23.942 -2.580 56 HA ARG 13 HA ARG 13 5.041 24.419 -1.068 57 HB2 ARG 13 1HB ARG 13 5.571 22.183 -3.033 58 HB3 ARG 13 2HB ARG 13 3.982 22.645 -2.439 59 HG2 ARG 13 1HG ARG 13 3.902 24.535 -3.704 60 HG3 ARG 13 2HG ARG 13 5.654 24.746 -3.699 61 HD2 ARG 13 1HD ARG 13 4.180 22.598 -5.219 62 HD3 ARG 13 2HD ARG 13 4.740 24.118 -5.916 63 HE ARG 13 HE ARG 13 6.917 22.855 -4.699 64 HH11 ARG 13 1HH1 ARG 13 4.757 22.401 -7.391 65 HH12 ARG 13 2HH1 ARG 13 5.916 21.533 -8.342 66 HH21 ARG 13 1HH2 ARG 13 8.451 21.714 -5.942 67 HH22 ARG 13 2HH2 ARG 13 8.016 21.142 -7.517 68 H GLN 14 H GLN 14 3.594 22.608 -0.198 69 HA GLN 14 HA GLN 14 5.218 20.837 1.507 70 HB2 GLN 14 1HB GLN 14 2.489 21.895 2.221 71 HB3 GLN 14 2HB GLN 14 3.661 21.120 3.278 72 HG2 GLN 14 1HG GLN 14 5.166 23.134 2.714 73 HG3 GLN 14 2HG GLN 14 3.672 23.894 2.168 74 HE21 GLN 14 1HE2 GLN 14 5.584 22.986 4.846 75 HE22 GLN 14 2HE2 GLN 14 4.539 23.579 6.087 76 H LEU 15 H LEU 15 5.029 18.785 0.922 77 HA LEU 15 HA LEU 15 2.963 17.814 -0.757 78 HB2 LEU 15 1HB LEU 15 4.831 16.558 -1.037 79 HB3 LEU 15 2HB LEU 15 5.297 16.679 0.659 80 HG LEU 15 HG LEU 15 3.477 15.014 1.166 81 HD11 LEU 15 1HD1 LEU 15 3.523 14.551 -1.809 82 HD12 LEU 15 2HD1 LEU 15 2.234 15.403 -0.960 83 HD13 LEU 15 3HD1 LEU 15 2.552 13.705 -0.603 84 HD21 LEU 15 1HD2 LEU 15 5.160 13.481 -0.625 85 HD22 LEU 15 2HD2 LEU 15 5.082 13.471 1.137 86 HD23 LEU 15 3HD2 LEU 15 6.087 14.659 0.306 87 H SER 16 H SER 16 1.028 16.986 -0.290 88 HA SER 16 HA SER 16 0.414 16.430 2.539 89 HB2 SER 16 1HB SER 16 -0.799 18.381 1.600 90 HB3 SER 16 2HB SER 16 -1.498 17.329 0.369 91 HG SER 16 HG SER 16 -3.003 17.074 1.823 92 HA PRO 17 HA PRO 17 -0.127 12.252 1.096 93 HB2 PRO 17 1HB PRO 17 -0.893 11.229 3.492 94 HB3 PRO 17 2HB PRO 17 0.789 11.608 3.102 95 HG2 PRO 17 1HG PRO 17 -1.198 13.205 4.672 96 HG3 PRO 17 2HG PRO 17 0.515 12.900 5.016 97 HD2 PRO 17 1HD PRO 17 -0.361 15.215 3.918 98 HD3 PRO 17 2HD PRO 17 1.230 14.522 3.542 99 H GLU 18 H GLU 18 -2.532 13.587 3.376 100 HA GLU 18 HA GLU 18 -4.670 11.975 2.820 101 HB2 GLU 18 1HB GLU 18 -6.108 13.973 3.374 102 HB3 GLU 18 2HB GLU 18 -4.870 13.582 4.560 103 HG2 GLU 18 1HG GLU 18 -3.432 15.335 3.478 104 HG3 GLU 18 2HG GLU 18 -4.851 15.811 2.547 105 H LYS 19 H LYS 19 -3.537 14.753 0.965 106 HA LYS 19 HA LYS 19 -5.708 14.798 -0.866 107 HB2 LYS 19 1HB LYS 19 -2.974 16.007 -0.785 108 HB3 LYS 19 2HB LYS 19 -3.875 16.037 -2.295 109 HG2 LYS 19 1HG LYS 19 -4.940 17.104 0.308 110 HG3 LYS 19 2HG LYS 19 -4.101 18.087 -0.894 111 HD2 LYS 19 1HD LYS 19 -5.803 17.532 -2.551 112 HD3 LYS 19 2HD LYS 19 -6.630 16.508 -1.374 113 HE2 LYS 19 1HE LYS 19 -6.100 19.395 -0.780 114 HE3 LYS 19 2HE LYS 19 -7.477 18.925 -1.775 115 HZ1 LYS 19 1HZ LYS 19 -8.441 17.762 -0.021 116 HZ2 LYS 19 2HZ LYS 19 -7.851 19.167 0.713 117 HZ3 LYS 19 3HZ LYS 19 -7.008 17.710 0.877 118 H SER 20 H SER 20 -2.453 13.391 -0.996 119 HA SER 20 HA SER 20 -2.278 12.489 -3.543 120 HB2 SER 20 1HB SER 20 -1.567 10.905 -1.062 121 HB3 SER 20 2HB SER 20 -0.966 10.576 -2.687 122 HG SER 20 HG SER 20 -0.519 12.906 -1.130 123 H GLU 21 H GLU 21 -3.337 11.135 -4.845 124 HA GLU 21 HA GLU 21 -5.493 9.515 -3.677 125 HB2 GLU 21 1HB GLU 21 -5.183 10.208 -6.593 126 HB3 GLU 21 2HB GLU 21 -6.625 9.649 -5.756 127 HG2 GLU 21 1HG GLU 21 -6.369 11.851 -4.402 128 HG3 GLU 21 2HG GLU 21 -5.374 12.355 -5.766 129 H ILE 22 H ILE 22 -5.285 7.383 -3.623 130 HA ILE 22 HA ILE 22 -3.194 6.136 -5.272 131 HB ILE 22 HB ILE 22 -4.531 5.023 -2.803 132 HG12 ILE 22 1HG1 ILE 22 -1.811 6.308 -3.139 133 HG13 ILE 22 2HG1 ILE 22 -3.179 7.001 -2.275 134 HG21 ILE 22 1HG2 ILE 22 -2.711 3.380 -2.854 135 HG22 ILE 22 2HG2 ILE 22 -3.707 3.301 -4.306 136 HG23 ILE 22 3HG2 ILE 22 -2.127 4.082 -4.362 137 HD11 ILE 22 1HD1 ILE 22 -1.794 6.134 -0.614 138 HD12 ILE 22 2HD1 ILE 22 -3.068 4.927 -0.798 139 HD13 ILE 22 3HD1 ILE 22 -1.482 4.654 -1.519 140 H TRP 23 H TRP 23 -4.173 5.582 -7.151 141 HA TRP 23 HA TRP 23 -6.592 3.908 -6.961 142 HB2 TRP 23 1HB TRP 23 -7.407 4.803 -8.943 143 HB3 TRP 23 2HB TRP 23 -6.633 6.204 -8.207 144 HD1 TRP 23 HD TRP 23 -6.503 3.996 -11.253 145 HE1 TRP 23 1HE TRP 23 -4.687 4.857 -12.862 146 HE3 TRP 23 3HE TRP 23 -4.239 7.396 -8.179 147 HZ2 TRP 23 2HZ TRP 23 -2.575 6.729 -12.832 148 HZ3 TRP 23 3HZ TRP 23 -2.328 8.681 -9.045 149 HH2 TRP 23 HH TRP 23 -1.514 8.352 -11.324 150 H GLY 24 H GLY 24 -6.798 2.221 -8.619 151 HA2 GLY 24 1HA GLY 24 -5.186 1.241 -10.463 152 HA3 GLY 24 2HA GLY 24 -4.211 0.924 -9.036 153 HA PRO 25 HA PRO 25 -7.442 -2.469 -9.896 154 HB2 PRO 25 1HB PRO 25 -5.781 -4.349 -10.933 155 HB3 PRO 25 2HB PRO 25 -6.638 -3.169 -11.931 156 HG2 PRO 25 1HG PRO 25 -3.803 -3.134 -10.970 157 HG3 PRO 25 2HG PRO 25 -4.447 -2.727 -12.571 158 HD2 PRO 25 1HD PRO 25 -3.778 -0.841 -10.747 159 HD3 PRO 25 2HD PRO 25 -5.100 -0.618 -11.910 160 H GLY 26 H GLY 26 -4.739 -1.828 -8.084 161 HA2 GLY 26 1HA GLY 26 -4.285 -4.370 -6.866 162 HA3 GLY 26 2HA GLY 26 -3.736 -2.814 -6.260 163 H LEU 27 H LEU 27 -6.744 -2.038 -6.509 164 HA LEU 27 HA LEU 27 -7.601 -3.326 -4.001 165 HB2 LEU 27 1HB LEU 27 -8.241 -0.486 -4.742 166 HB3 LEU 27 2HB LEU 27 -8.457 -1.281 -3.184 167 HG LEU 27 HG LEU 27 -5.708 -0.920 -4.306 168 HD11 LEU 27 1HD1 LEU 27 -5.506 1.252 -3.391 169 HD12 LEU 27 2HD1 LEU 27 -7.100 1.164 -2.644 170 HD13 LEU 27 3HD1 LEU 27 -6.954 1.269 -4.398 171 HD21 LEU 27 1HD2 LEU 27 -6.770 -2.044 -1.993 172 HD22 LEU 27 2HD2 LEU 27 -6.121 -0.486 -1.480 173 HD23 LEU 27 3HD2 LEU 27 -5.079 -1.649 -2.302 174 H LYS 28 H LYS 28 -8.210 -3.710 -6.958 175 HA LYS 28 HA LYS 28 -11.037 -3.041 -7.089 176 HB2 LYS 28 1HB LYS 28 -10.941 -3.548 -9.348 177 HB3 LYS 28 2HB LYS 28 -9.309 -2.970 -9.039 178 HG2 LYS 28 1HG LYS 28 -8.496 -5.248 -8.907 179 HG3 LYS 28 2HG LYS 28 -10.135 -5.865 -9.128 180 HD2 LYS 28 1HD LYS 28 -10.173 -4.626 -11.328 181 HD3 LYS 28 2HD LYS 28 -8.444 -4.348 -11.106 182 HE2 LYS 28 1HE LYS 28 -8.424 -6.266 -12.372 183 HE3 LYS 28 2HE LYS 28 -8.379 -6.937 -10.742 184 HZ1 LYS 28 1HZ LYS 28 -10.973 -6.499 -12.057 185 HZ2 LYS 28 2HZ LYS 28 -10.551 -7.627 -10.869 186 HZ3 LYS 28 3HZ LYS 28 -10.053 -7.858 -12.469 187 H ALA 29 H ALA 29 -12.443 -4.902 -8.067 188 HA ALA 29 HA ALA 29 -12.262 -7.115 -6.175 189 HB1 ALA 29 1HB ALA 29 -14.528 -6.817 -8.088 190 HB2 ALA 29 2HB ALA 29 -14.525 -7.401 -6.423 191 HB3 ALA 29 3HB ALA 29 -14.378 -5.675 -6.752 192 H ASP 30 H ASP 30 -12.972 -9.305 -7.032 193 HA ASP 30 HA ASP 30 -12.267 -11.136 -8.212 194 HB2 ASP 30 1HB ASP 30 -13.170 -9.296 -10.435 195 HB3 ASP 30 2HB ASP 30 -12.842 -11.013 -10.648 196 H VAL 31 H VAL 31 -10.176 -9.234 -7.579 197 HA VAL 31 HA VAL 31 -8.445 -8.668 -9.677 198 HB VAL 31 HB VAL 31 -6.623 -8.727 -7.973 199 HG11 VAL 31 1HG1 VAL 31 -9.014 -7.102 -7.961 200 HG12 VAL 31 2HG1 VAL 31 -8.265 -7.165 -6.365 201 HG13 VAL 31 3HG1 VAL 31 -7.328 -6.626 -7.760 202 HG21 VAL 31 1HG2 VAL 31 -7.746 -8.946 -5.558 203 HG22 VAL 31 2HG2 VAL 31 -8.755 -10.093 -6.440 204 HG23 VAL 31 3HG2 VAL 31 -7.005 -10.311 -6.394 205 H VAL 32 H VAL 32 -6.145 -9.739 -9.738 206 HA VAL 32 HA VAL 32 -6.457 -12.293 -10.883 207 HB VAL 32 HB VAL 32 -4.087 -12.332 -11.177 208 HG11 VAL 32 1HG1 VAL 32 -3.739 -9.785 -11.829 209 HG12 VAL 32 2HG1 VAL 32 -4.813 -10.844 -12.744 210 HG13 VAL 32 3HG1 VAL 32 -5.478 -9.735 -11.544 211 HG21 VAL 32 1HG2 VAL 32 -3.556 -11.709 -8.814 212 HG22 VAL 32 2HG2 VAL 32 -2.543 -10.919 -10.023 213 HG23 VAL 32 3HG2 VAL 32 -3.853 -10.026 -9.251 214 H LEU 33 H LEU 33 -5.405 -14.290 -10.221 215 HA LEU 33 HA LEU 33 -6.130 -15.120 -7.663 216 HB2 LEU 33 1HB LEU 33 -5.377 -16.382 -9.912 217 HB3 LEU 33 2HB LEU 33 -3.899 -16.553 -8.968 218 HG LEU 33 HG LEU 33 -5.199 -18.530 -8.674 219 HD11 LEU 33 1HD1 LEU 33 -4.165 -17.200 -6.644 220 HD12 LEU 33 2HD1 LEU 33 -5.091 -18.680 -6.401 221 HD13 LEU 33 3HD1 LEU 33 -5.855 -17.111 -6.147 222 HD21 LEU 33 1HD2 LEU 33 -7.474 -16.733 -7.841 223 HD22 LEU 33 2HD2 LEU 33 -7.485 -18.496 -7.825 224 HD23 LEU 33 3HD2 LEU 33 -7.367 -17.629 -9.357 225 HA PRO 34 HA PRO 34 -1.442 -14.729 -6.479 226 HB2 PRO 34 1HB PRO 34 0.078 -13.153 -8.084 227 HB3 PRO 34 2HB PRO 34 -0.112 -14.891 -8.344 228 HG2 PRO 34 1HG PRO 34 -1.503 -12.611 -9.696 229 HG3 PRO 34 2HG PRO 34 -0.833 -14.091 -10.405 230 HD2 PRO 34 1HD PRO 34 -3.476 -13.781 -9.908 231 HD3 PRO 34 2HD PRO 34 -2.665 -15.357 -9.808 232 H ALA 35 H ALA 35 -1.091 -11.718 -8.163 233 HA ALA 35 HA ALA 35 -2.478 -10.110 -6.238 234 HB1 ALA 35 1HB ALA 35 -0.809 -10.217 -4.717 235 HB2 ALA 35 2HB ALA 35 0.412 -10.631 -5.920 236 HB3 ALA 35 3HB ALA 35 -0.113 -8.958 -5.737 237 H ARG 36 H ARG 36 -2.009 -7.737 -6.608 238 HA ARG 36 HA ARG 36 -1.226 -7.248 -9.404 239 HB2 ARG 36 1HB ARG 36 -3.724 -6.506 -7.970 240 HB3 ARG 36 2HB ARG 36 -3.055 -5.326 -9.090 241 HG2 ARG 36 1HG ARG 36 -3.362 -8.130 -10.021 242 HG3 ARG 36 2HG ARG 36 -4.808 -7.130 -9.862 243 HD2 ARG 36 1HD ARG 36 -3.390 -5.381 -11.184 244 HD3 ARG 36 2HD ARG 36 -2.452 -6.794 -11.668 245 HE ARG 36 HE ARG 36 -5.255 -7.172 -12.057 246 HH11 ARG 36 1HH1 ARG 36 -2.397 -5.728 -13.424 247 HH12 ARG 36 2HH1 ARG 36 -2.990 -5.782 -15.051 248 HH21 ARG 36 1HH2 ARG 36 -6.046 -7.248 -14.195 249 HH22 ARG 36 2HH2 ARG 36 -5.066 -6.646 -15.488 250 H TYR 37 H TYR 37 -0.922 -4.805 -9.777 251 HA TYR 37 HA TYR 37 0.416 -3.621 -7.435 252 HB2 TYR 37 1HB TYR 37 2.136 -2.723 -8.933 253 HB3 TYR 37 2HB TYR 37 2.079 -4.480 -9.022 254 HD1 TYR 37 2HD TYR 37 1.242 -5.597 -11.029 255 HD2 TYR 37 1HD TYR 37 1.498 -1.355 -10.821 256 HE1 TYR 37 2HE TYR 37 0.987 -5.468 -13.472 257 HE2 TYR 37 1HE TYR 37 1.243 -1.214 -13.263 258 HH TYR 37 HH TYR 37 0.898 -4.144 -15.246 259 H PHE 38 H PHE 38 0.331 -1.377 -7.227 260 HA PHE 38 HA PHE 38 -1.504 0.009 -9.066 261 HB2 PHE 38 1HB PHE 38 -2.245 1.313 -6.988 262 HB3 PHE 38 2HB PHE 38 -2.832 -0.340 -7.149 263 HD1 PHE 38 1HD PHE 38 -1.249 -2.150 -6.020 264 HD2 PHE 38 2HD PHE 38 -1.431 1.966 -4.949 265 HE1 PHE 38 1HE PHE 38 -0.339 -2.691 -3.799 266 HE2 PHE 38 2HE PHE 38 -0.520 1.431 -2.727 267 HZ PHE 38 HZ PHE 38 0.028 -0.899 -2.149 268 H TYR 39 H TYR 39 -1.385 2.485 -8.598 269 HA TYR 39 HA TYR 39 1.468 3.201 -8.422 270 HB2 TYR 39 1HB TYR 39 -0.578 4.872 -9.854 271 HB3 TYR 39 2HB TYR 39 1.167 4.829 -10.078 272 HD1 TYR 39 2HD TYR 39 1.973 2.267 -10.705 273 HD2 TYR 39 1HD TYR 39 -1.780 4.047 -11.629 274 HE1 TYR 39 2HE TYR 39 1.697 0.699 -12.580 275 HE2 TYR 39 1HE TYR 39 -2.066 2.483 -13.506 276 HH TYR 39 HH TYR 39 -0.987 -0.064 -13.959 277 H ILE 40 H ILE 40 2.083 4.952 -7.206 278 HA ILE 40 HA ILE 40 -0.008 6.102 -5.477 279 HB ILE 40 HB ILE 40 2.919 5.626 -4.915 280 HG12 ILE 40 1HG1 ILE 40 0.478 4.611 -3.451 281 HG13 ILE 40 2HG1 ILE 40 1.288 3.705 -4.725 282 HG21 ILE 40 1HG2 ILE 40 2.125 7.809 -4.034 283 HG22 ILE 40 2HG2 ILE 40 0.896 6.945 -3.112 284 HG23 ILE 40 3HG2 ILE 40 2.605 6.671 -2.775 285 HD11 ILE 40 1HD1 ILE 40 2.106 2.852 -2.700 286 HD12 ILE 40 2HD1 ILE 40 3.386 3.893 -3.325 287 HD13 ILE 40 3HD1 ILE 40 2.342 4.463 -2.023 288 H GLN 41 H GLN 41 -0.551 8.008 -6.368 289 HA GLN 41 HA GLN 41 1.552 9.767 -7.389 290 HB2 GLN 41 1HB GLN 41 -0.281 9.521 -8.897 291 HB3 GLN 41 2HB GLN 41 -1.454 9.827 -7.623 292 HG2 GLN 41 1HG GLN 41 -1.449 11.829 -8.735 293 HG3 GLN 41 2HG GLN 41 -0.273 12.135 -7.458 294 HE21 GLN 41 1HE2 GLN 41 0.882 13.674 -8.530 295 HE22 GLN 41 2HE2 GLN 41 1.829 13.350 -9.938 296 H ALA 42 H ALA 42 2.262 11.475 -6.290 297 HA ALA 42 HA ALA 42 1.119 12.061 -3.694 298 HB1 ALA 42 1HB ALA 42 3.131 12.910 -3.150 299 HB2 ALA 42 2HB ALA 42 3.670 12.031 -4.581 300 HB3 ALA 42 3HB ALA 42 3.309 13.754 -4.688 301 H VAL 43 H VAL 43 0.485 14.172 -3.014 302 HA VAL 43 HA VAL 43 -0.086 16.127 -5.108 303 HB VAL 43 HB VAL 43 -2.217 15.006 -3.282 304 HG11 VAL 43 1HG1 VAL 43 -2.233 17.352 -5.166 305 HG12 VAL 43 2HG1 VAL 43 -3.707 16.568 -4.595 306 HG13 VAL 43 3HG1 VAL 43 -2.612 17.334 -3.444 307 HG21 VAL 43 1HG2 VAL 43 -2.237 15.044 -6.285 308 HG22 VAL 43 2HG2 VAL 43 -1.522 13.712 -5.376 309 HG23 VAL 43 3HG2 VAL 43 -3.234 14.090 -5.186 310 H ASP 44 H ASP 44 -0.352 18.243 -4.359 311 HA ASP 44 HA ASP 44 0.960 18.803 -1.870 312 HB2 ASP 44 1HB ASP 44 0.931 20.142 -4.157 313 HB3 ASP 44 2HB ASP 44 -0.455 20.934 -3.411 314 H THR 45 H THR 45 -0.174 20.858 -0.684 315 HA THR 45 HA THR 45 -2.353 19.724 0.735 316 HB THR 45 HB THR 45 -2.374 21.709 2.059 317 HG1 THR 45 1HG THR 45 -0.924 23.504 1.238 318 HG21 THR 45 1HG2 THR 45 -0.382 20.233 2.285 319 HG22 THR 45 2HG2 THR 45 -0.066 21.910 2.731 320 HG23 THR 45 3HG2 THR 45 0.482 21.293 1.172 321 H SER 46 H SER 46 -2.151 21.671 -2.083 322 HA SER 46 HA SER 46 -4.954 22.492 -1.872 323 HB2 SER 46 1HB SER 46 -2.822 23.265 -3.878 324 HB3 SER 46 2HB SER 46 -4.470 23.893 -3.857 325 HG SER 46 HG SER 46 -2.945 25.267 -2.791 326 H GLY 47 H GLY 47 -2.788 21.014 -4.296 327 HA2 GLY 47 1HA GLY 47 -3.956 18.751 -4.976 328 HA3 GLY 47 2HA GLY 47 -5.120 19.882 -5.651 329 H ASN 48 H ASN 48 -1.585 20.125 -5.547 330 HA ASN 48 HA ASN 48 -1.611 20.277 -8.486 331 HB2 ASN 48 1HB ASN 48 0.645 21.274 -6.769 332 HB3 ASN 48 2HB ASN 48 0.203 21.761 -8.402 333 HD21 ASN 48 1HD2 ASN 48 0.123 22.623 -5.218 334 HD22 ASN 48 2HD2 ASN 48 -1.126 23.815 -5.281 335 H LYS 49 H LYS 49 -1.131 18.324 -9.279 336 HA LYS 49 HA LYS 49 0.135 16.210 -8.150 337 HB2 LYS 49 1HB LYS 49 -0.046 17.172 -10.970 338 HB3 LYS 49 2HB LYS 49 1.020 15.818 -10.618 339 HG2 LYS 49 1HG LYS 49 -0.796 14.515 -9.776 340 HG3 LYS 49 2HG LYS 49 -1.893 15.896 -9.867 341 HD2 LYS 49 1HD LYS 49 -2.415 14.652 -11.770 342 HD3 LYS 49 2HD LYS 49 -1.334 15.907 -12.379 343 HE2 LYS 49 1HE LYS 49 0.548 14.241 -12.074 344 HE3 LYS 49 2HE LYS 49 -0.697 13.022 -11.808 345 HZ1 LYS 49 1HZ LYS 49 -1.266 14.508 -14.146 346 HZ2 LYS 49 2HZ LYS 49 -1.000 12.846 -13.981 347 HZ3 LYS 49 3HZ LYS 49 0.307 13.891 -14.233 348 H PHE 50 H PHE 50 2.150 15.620 -7.593 349 HA PHE 50 HA PHE 50 4.227 17.613 -7.652 350 HB2 PHE 50 1HB PHE 50 3.840 14.954 -6.377 351 HB3 PHE 50 2HB PHE 50 5.497 15.491 -6.632 352 HD1 PHE 50 1HD PHE 50 2.364 16.134 -4.855 353 HD2 PHE 50 2HD PHE 50 6.403 17.357 -5.412 354 HE1 PHE 50 1HE PHE 50 2.227 17.504 -2.817 355 HE2 PHE 50 2HE PHE 50 6.272 18.729 -3.374 356 HZ PHE 50 HZ PHE 50 4.183 18.803 -2.073 357 H THR 51 H THR 51 3.752 14.383 -9.042 358 HA THR 51 HA THR 51 4.903 13.234 -10.652 359 HB THR 51 HB THR 51 5.354 14.546 -12.726 360 HG1 THR 51 1HG THR 51 4.274 16.763 -11.314 361 HG21 THR 51 1HG2 THR 51 3.121 14.740 -13.294 362 HG22 THR 51 2HG2 THR 51 2.669 15.392 -11.719 363 HG23 THR 51 3HG2 THR 51 3.035 13.675 -11.892 364 H SER 52 H SER 52 6.522 14.372 -8.462 365 HA SER 52 HA SER 52 9.111 14.427 -9.866 366 HB2 SER 52 1HB SER 52 8.345 16.656 -8.840 367 HB3 SER 52 2HB SER 52 8.623 15.890 -7.275 368 HG SER 52 HG SER 52 10.505 16.904 -7.827 369 H SER 53 H SER 53 10.935 14.015 -8.152 370 HA SER 53 HA SER 53 10.216 11.508 -6.829 371 HB2 SER 53 1HB SER 53 12.647 11.101 -6.737 372 HB3 SER 53 2HB SER 53 12.115 11.451 -8.382 373 HG SER 53 HG SER 53 13.678 12.867 -8.282 374 HA PRO 54 HA PRO 54 10.202 13.861 -3.005 375 HB2 PRO 54 1HB PRO 54 9.255 11.822 -1.484 376 HB3 PRO 54 2HB PRO 54 8.217 12.811 -2.518 377 HG2 PRO 54 1HG PRO 54 9.375 10.099 -3.035 378 HG3 PRO 54 2HG PRO 54 7.739 10.698 -3.365 379 HD2 PRO 54 1HD PRO 54 9.636 10.505 -5.288 380 HD3 PRO 54 2HD PRO 54 8.386 11.766 -5.303 381 H GLY 55 H GLY 55 11.458 10.551 -3.339 382 HA2 GLY 55 1HA GLY 55 14.024 10.983 -2.524 383 HA3 GLY 55 2HA GLY 55 13.142 10.777 -1.018 384 H GLU 56 H GLU 56 14.987 8.995 -1.248 385 HA GLU 56 HA GLU 56 14.834 6.769 -2.788 386 HB2 GLU 56 1HB GLU 56 15.589 7.217 0.053 387 HB3 GLU 56 2HB GLU 56 15.385 5.552 -0.474 388 HG2 GLU 56 1HG GLU 56 17.591 5.807 -0.916 389 HG3 GLU 56 2HG GLU 56 16.932 6.364 -2.453 390 H LYS 57 H LYS 57 13.285 6.822 0.422 391 HA LYS 57 HA LYS 57 10.944 5.484 -0.716 392 HB2 LYS 57 1HB LYS 57 12.320 4.458 1.769 393 HB3 LYS 57 2HB LYS 57 10.944 3.742 0.939 394 HG2 LYS 57 1HG LYS 57 13.655 4.038 -0.326 395 HG3 LYS 57 2HG LYS 57 13.153 2.607 0.576 396 HD2 LYS 57 1HD LYS 57 11.460 2.094 -0.984 397 HD3 LYS 57 2HD LYS 57 11.558 3.689 -1.732 398 HE2 LYS 57 1HE LYS 57 12.685 2.362 -3.254 399 HE3 LYS 57 2HE LYS 57 14.001 3.006 -2.273 400 HZ1 LYS 57 1HZ LYS 57 14.440 0.996 -1.377 401 HZ2 LYS 57 2HZ LYS 57 13.744 0.436 -2.814 402 HZ3 LYS 57 3HZ LYS 57 12.825 0.490 -1.394 403 H VAL 58 H VAL 58 9.339 6.827 -0.223 404 HA VAL 58 HA VAL 58 9.256 7.969 2.494 405 HB VAL 58 HB VAL 58 8.000 9.853 1.611 406 HG11 VAL 58 1HG1 VAL 58 10.717 9.221 0.881 407 HG12 VAL 58 2HG1 VAL 58 9.983 10.312 -0.296 408 HG13 VAL 58 3HG1 VAL 58 10.024 10.754 1.411 409 HG21 VAL 58 1HG2 VAL 58 8.487 8.874 -1.180 410 HG22 VAL 58 2HG2 VAL 58 7.030 8.419 -0.296 411 HG23 VAL 58 3HG2 VAL 58 7.371 10.119 -0.618 412 H PHE 59 H PHE 59 7.524 6.297 -0.021 413 HA PHE 59 HA PHE 59 5.121 6.198 1.669 414 HB2 PHE 59 1HB PHE 59 5.533 5.738 -1.283 415 HB3 PHE 59 2HB PHE 59 4.048 5.279 -0.457 416 HD1 PHE 59 1HD PHE 59 2.770 7.103 0.781 417 HD2 PHE 59 2HD PHE 59 5.838 7.908 -2.057 418 HE1 PHE 59 1HE PHE 59 1.904 9.389 0.498 419 HE2 PHE 59 2HE PHE 59 4.978 10.195 -2.344 420 HZ PHE 59 HZ PHE 59 3.009 10.939 -1.065 421 H GLN 60 H GLN 60 4.870 4.440 2.862 422 HA GLN 60 HA GLN 60 6.078 1.920 1.934 423 HB2 GLN 60 1HB GLN 60 7.050 2.701 4.020 424 HB3 GLN 60 2HB GLN 60 5.452 2.846 4.742 425 HG2 GLN 60 1HG GLN 60 6.173 0.857 5.618 426 HG3 GLN 60 2HG GLN 60 5.272 0.311 4.204 427 HE21 GLN 60 1HE2 GLN 60 6.793 -1.554 4.896 428 HE22 GLN 60 2HE2 GLN 60 8.290 -1.633 4.037 429 H VAL 61 H VAL 61 4.890 0.019 2.018 430 HA VAL 61 HA VAL 61 2.004 0.344 2.530 431 HB VAL 61 HB VAL 61 3.268 -1.406 0.416 432 HG11 VAL 61 1HG1 VAL 61 1.161 -2.263 1.435 433 HG12 VAL 61 2HG1 VAL 61 0.355 -0.792 0.886 434 HG13 VAL 61 3HG1 VAL 61 1.037 -1.917 -0.289 435 HG21 VAL 61 1HG2 VAL 61 1.748 0.305 -0.971 436 HG22 VAL 61 2HG2 VAL 61 2.201 1.353 0.374 437 HG23 VAL 61 3HG2 VAL 61 3.450 0.604 -0.619 438 H LYS 62 H LYS 62 0.894 -1.434 3.397 439 HA LYS 62 HA LYS 62 2.565 -3.641 4.390 440 HB2 LYS 62 1HB LYS 62 2.291 -2.094 6.239 441 HB3 LYS 62 2HB LYS 62 0.552 -2.045 5.985 442 HG2 LYS 62 1HG LYS 62 0.743 -3.482 7.770 443 HG3 LYS 62 2HG LYS 62 0.674 -4.601 6.407 444 HD2 LYS 62 1HD LYS 62 2.437 -5.392 7.735 445 HD3 LYS 62 2HD LYS 62 3.228 -4.507 6.429 446 HE2 LYS 62 1HE LYS 62 3.394 -2.540 7.921 447 HE3 LYS 62 2HE LYS 62 2.698 -3.503 9.224 448 HZ1 LYS 62 1HZ LYS 62 4.840 -4.935 8.152 449 HZ2 LYS 62 2HZ LYS 62 4.716 -4.242 9.690 450 HZ3 LYS 62 3HZ LYS 62 5.378 -3.352 8.413 451 H VAL 63 H VAL 63 1.550 -5.632 4.585 452 HA VAL 63 HA VAL 63 -1.223 -5.782 3.602 453 HB VAL 63 HB VAL 63 1.092 -7.542 2.790 454 HG11 VAL 63 1HG1 VAL 63 -1.856 -7.944 2.605 455 HG12 VAL 63 2HG1 VAL 63 -0.825 -8.530 1.298 456 HG13 VAL 63 3HG1 VAL 63 -0.578 -9.111 2.945 457 HG21 VAL 63 1HG2 VAL 63 -0.099 -5.214 1.650 458 HG22 VAL 63 2HG2 VAL 63 1.244 -6.180 1.041 459 HG23 VAL 63 3HG2 VAL 63 -0.412 -6.591 0.594 460 H SER 64 H SER 64 -2.556 -7.093 4.711 461 HA SER 64 HA SER 64 -1.570 -9.259 6.335 462 HB2 SER 64 1HB SER 64 -2.881 -6.887 7.686 463 HB3 SER 64 2HB SER 64 -2.430 -8.402 8.467 464 HG SER 64 HG SER 64 -0.235 -7.745 7.453 465 H ALA 65 H ALA 65 -3.256 -10.596 7.168 466 HA ALA 65 HA ALA 65 -5.830 -10.170 5.799 467 HB1 ALA 65 1HB ALA 65 -6.056 -12.463 5.510 468 HB2 ALA 65 2HB ALA 65 -4.333 -12.196 5.243 469 HB3 ALA 65 3HB ALA 65 -4.897 -12.839 6.786 470 HA PRO 66 HA PRO 66 -7.807 -9.822 9.721 471 HB2 PRO 66 1HB PRO 66 -10.334 -10.476 8.973 472 HB3 PRO 66 2HB PRO 66 -9.584 -8.926 8.573 473 HG2 PRO 66 1HG PRO 66 -9.893 -11.374 6.878 474 HG3 PRO 66 2HG PRO 66 -10.134 -9.673 6.440 475 HD2 PRO 66 1HD PRO 66 -7.882 -11.036 5.807 476 HD3 PRO 66 2HD PRO 66 -7.878 -9.295 6.159 477 H GLU 67 H GLU 67 -7.789 -12.760 7.886 478 HA GLU 67 HA GLU 67 -8.981 -14.325 10.026 479 HB2 GLU 67 1HB GLU 67 -7.786 -15.219 7.396 480 HB3 GLU 67 2HB GLU 67 -8.691 -16.231 8.512 481 HG2 GLU 67 1HG GLU 67 -10.551 -14.424 8.167 482 HG3 GLU 67 2HG GLU 67 -9.655 -14.089 6.686 483 H GLU 68 H GLU 68 -5.899 -14.404 8.226 484 HA GLU 68 HA GLU 68 -4.623 -16.130 10.079 485 HB2 GLU 68 1HB GLU 68 -3.515 -14.306 7.943 486 HB3 GLU 68 2HB GLU 68 -2.524 -15.409 8.886 487 HG2 GLU 68 1HG GLU 68 -3.519 -17.300 7.936 488 HG3 GLU 68 2HG GLU 68 -4.881 -16.373 7.308 489 H GLN 69 H GLN 69 -3.497 -15.720 11.888 490 HA GLN 69 HA GLN 69 -3.712 -13.190 13.145 491 HB2 GLN 69 1HB GLN 69 -2.201 -14.216 14.871 492 HB3 GLN 69 2HB GLN 69 -3.661 -15.133 14.528 493 HG2 GLN 69 1HG GLN 69 -2.421 -16.683 13.162 494 HG3 GLN 69 2HG GLN 69 -0.953 -15.726 13.358 495 HE21 GLN 69 1HE2 GLN 69 -3.389 -17.518 15.188 496 HE22 GLN 69 2HE2 GLN 69 -2.317 -18.054 16.432 497 H PHE 70 H PHE 70 -1.290 -14.673 11.153 498 HA PHE 70 HA PHE 70 0.192 -12.183 11.086 499 HB2 PHE 70 1HB PHE 70 1.288 -14.718 12.243 500 HB3 PHE 70 2HB PHE 70 2.364 -13.634 11.367 501 HD1 PHE 70 1HD PHE 70 2.677 -11.302 12.177 502 HD2 PHE 70 2HD PHE 70 0.571 -14.232 14.435 503 HE1 PHE 70 1HE PHE 70 2.942 -9.928 14.201 504 HE2 PHE 70 2HE PHE 70 0.831 -12.862 16.462 505 HZ PHE 70 HZ PHE 70 2.017 -10.706 16.347 506 H THR 71 H THR 71 0.510 -11.764 9.014 507 HA THR 71 HA THR 71 0.930 -14.022 7.165 508 HB THR 71 HB THR 71 -0.394 -11.363 6.594 509 HG1 THR 71 1HG THR 71 -2.254 -12.534 6.508 510 HG21 THR 71 1HG2 THR 71 0.692 -13.480 4.839 511 HG22 THR 71 2HG2 THR 71 0.455 -11.760 4.529 512 HG23 THR 71 3HG2 THR 71 -0.910 -12.871 4.426 513 H ARG 72 H ARG 72 3.053 -14.108 6.759 514 HA ARG 72 HA ARG 72 4.673 -11.719 6.664 515 HB2 ARG 72 1HB ARG 72 5.180 -14.656 6.534 516 HB3 ARG 72 2HB ARG 72 6.397 -13.574 5.869 517 HG2 ARG 72 1HG ARG 72 5.348 -13.042 8.603 518 HG3 ARG 72 2HG ARG 72 6.499 -14.358 8.365 519 HD2 ARG 72 1HD ARG 72 7.932 -12.621 8.790 520 HD3 ARG 72 2HD ARG 72 7.828 -12.529 7.033 521 HE ARG 72 HE ARG 72 6.907 -10.463 7.273 522 HH11 ARG 72 1HH1 ARG 72 6.377 -12.248 10.215 523 HH12 ARG 72 2HH1 ARG 72 5.639 -10.918 11.043 524 HH21 ARG 72 1HH2 ARG 72 5.936 -8.704 8.353 525 HH22 ARG 72 2HH2 ARG 72 5.387 -8.902 9.983 526 H VAL 73 H VAL 73 4.665 -10.474 4.917 527 HA VAL 73 HA VAL 73 4.715 -11.771 2.273 528 HB VAL 73 HB VAL 73 3.297 -9.180 2.905 529 HG11 VAL 73 1HG1 VAL 73 4.162 -10.423 0.451 530 HG12 VAL 73 2HG1 VAL 73 2.408 -10.233 0.481 531 HG13 VAL 73 3HG1 VAL 73 3.452 -8.830 0.714 532 HG21 VAL 73 1HG2 VAL 73 2.331 -11.468 3.739 533 HG22 VAL 73 2HG2 VAL 73 1.279 -10.282 2.965 534 HG23 VAL 73 3HG2 VAL 73 1.882 -11.661 2.045 535 H GLY 74 H GLY 74 6.110 -10.930 0.775 536 HA2 GLY 74 1HA GLY 74 8.056 -9.001 1.816 537 HA3 GLY 74 2HA GLY 74 8.294 -10.069 0.442 538 H VAL 75 H VAL 75 6.546 -7.190 1.526 539 HA VAL 75 HA VAL 75 5.813 -6.432 -1.154 540 HB VAL 75 HB VAL 75 5.639 -4.927 1.458 541 HG11 VAL 75 1HG1 VAL 75 3.881 -3.700 -0.209 542 HG12 VAL 75 2HG1 VAL 75 5.510 -3.114 0.135 543 HG13 VAL 75 3HG1 VAL 75 5.203 -4.071 -1.315 544 HG21 VAL 75 1HG2 VAL 75 3.388 -6.057 -0.181 545 HG22 VAL 75 2HG2 VAL 75 4.204 -6.993 1.071 546 HG23 VAL 75 3HG2 VAL 75 3.357 -5.505 1.494 547 H GLN 76 H GLN 76 6.701 -4.842 -2.419 548 HA GLN 76 HA GLN 76 9.081 -3.452 -1.424 549 HB2 GLN 76 1HB GLN 76 9.807 -5.499 -2.641 550 HB3 GLN 76 2HB GLN 76 8.983 -4.901 -4.075 551 HG2 GLN 76 1HG GLN 76 11.176 -4.299 -4.451 552 HG3 GLN 76 2HG GLN 76 10.473 -2.821 -3.796 553 HE21 GLN 76 1HE2 GLN 76 12.433 -2.039 -3.073 554 HE22 GLN 76 2HE2 GLN 76 13.266 -2.718 -1.720 555 H VAL 77 H VAL 77 9.055 -1.358 -1.911 556 HA VAL 77 HA VAL 77 7.129 -0.427 -3.927 557 HB VAL 77 HB VAL 77 7.626 1.847 -2.764 558 HG11 VAL 77 1HG1 VAL 77 5.659 1.603 -1.670 559 HG12 VAL 77 2HG1 VAL 77 5.604 0.098 -2.588 560 HG13 VAL 77 3HG1 VAL 77 6.143 0.088 -0.909 561 HG21 VAL 77 1HG2 VAL 77 8.424 -0.054 -0.562 562 HG22 VAL 77 2HG2 VAL 77 9.543 0.974 -1.458 563 HG23 VAL 77 3HG2 VAL 77 8.292 1.701 -0.449 564 H LEU 78 H LEU 78 8.135 -0.271 -5.844 565 HA LEU 78 HA LEU 78 10.759 1.061 -5.929 566 HB2 LEU 78 1HB LEU 78 10.337 -1.345 -6.851 567 HB3 LEU 78 2HB LEU 78 9.630 -0.489 -8.220 568 HG LEU 78 HG LEU 78 12.384 0.238 -7.335 569 HD11 LEU 78 1HD1 LEU 78 13.220 -1.779 -7.710 570 HD12 LEU 78 2HD1 LEU 78 12.622 -1.693 -9.367 571 HD13 LEU 78 3HD1 LEU 78 11.620 -2.408 -8.104 572 HD21 LEU 78 1HD2 LEU 78 11.373 -0.068 -10.133 573 HD22 LEU 78 2HD2 LEU 78 12.635 0.994 -9.508 574 HD23 LEU 78 3HD2 LEU 78 10.938 1.350 -9.178 575 H ASP 79 H ASP 79 11.101 2.771 -7.315 576 HA ASP 79 HA ASP 79 8.713 4.193 -8.143 577 HB2 ASP 79 1HB ASP 79 10.178 6.081 -8.520 578 HB3 ASP 79 2HB ASP 79 10.574 5.353 -6.965 579 H ARG 80 H ARG 80 7.905 4.139 -10.128 580 HA ARG 80 HA ARG 80 9.612 3.140 -12.307 581 HB2 ARG 80 1HB ARG 80 6.627 3.037 -11.890 582 HB3 ARG 80 2HB ARG 80 7.376 2.686 -13.441 583 HG2 ARG 80 1HG ARG 80 8.809 1.023 -11.971 584 HG3 ARG 80 2HG ARG 80 7.390 1.116 -10.926 585 HD2 ARG 80 1HD ARG 80 6.968 -0.699 -12.349 586 HD3 ARG 80 2HD ARG 80 6.023 0.629 -13.021 587 HE ARG 80 HE ARG 80 8.610 0.446 -14.208 588 HH11 ARG 80 1HH1 ARG 80 5.405 -0.913 -14.243 589 HH12 ARG 80 2HH1 ARG 80 5.509 -1.449 -15.887 590 HH21 ARG 80 1HH2 ARG 80 8.759 -0.254 -16.374 591 HH22 ARG 80 2HH2 ARG 80 7.418 -1.074 -17.098 592 H LYS 81 H LYS 81 6.820 5.320 -11.857 593 HA LYS 81 HA LYS 81 7.602 6.855 -14.190 594 HB2 LYS 81 1HB LYS 81 5.371 7.571 -12.307 595 HB3 LYS 81 2HB LYS 81 5.519 7.935 -14.021 596 HG2 LYS 81 1HG LYS 81 5.296 5.106 -13.077 597 HG3 LYS 81 2HG LYS 81 3.862 6.116 -13.270 598 HD2 LYS 81 1HD LYS 81 4.777 6.604 -15.623 599 HD3 LYS 81 2HD LYS 81 5.820 5.206 -15.355 600 HE2 LYS 81 1HE LYS 81 3.985 4.275 -16.419 601 HE3 LYS 81 2HE LYS 81 3.626 3.994 -14.716 602 HZ1 LYS 81 1HZ LYS 81 2.445 6.315 -15.001 603 HZ2 LYS 81 2HZ LYS 81 1.657 4.867 -15.382 604 HZ3 LYS 81 3HZ LYS 81 2.339 5.807 -16.612 605 H ASP 82 H ASP 82 7.178 9.384 -13.772 606 HA ASP 82 HA ASP 82 9.400 10.423 -12.569 607 HB2 ASP 82 1HB ASP 82 7.472 11.533 -14.000 608 HB3 ASP 82 2HB ASP 82 6.883 12.024 -12.414 609 H GLY 83 H GLY 83 6.163 10.728 -11.092 610 HA2 GLY 83 1HA GLY 83 7.480 10.477 -8.458 611 HA3 GLY 83 2HA GLY 83 6.177 11.617 -8.761 612 H SER 84 H SER 84 6.194 8.386 -10.093 613 HA SER 84 HA SER 84 3.998 7.683 -8.257 614 HB2 SER 84 1HB SER 84 4.215 6.419 -10.958 615 HB3 SER 84 2HB SER 84 2.781 6.742 -9.983 616 HG SER 84 HG SER 84 3.092 8.979 -10.463 617 H PHE 85 H PHE 85 4.231 5.891 -7.084 618 HA PHE 85 HA PHE 85 6.517 4.144 -7.684 619 HB2 PHE 85 1HB PHE 85 5.045 4.712 -5.110 620 HB3 PHE 85 2HB PHE 85 6.219 3.411 -5.274 621 HD1 PHE 85 2HD PHE 85 5.779 7.073 -5.412 622 HD2 PHE 85 1HD PHE 85 8.535 3.836 -5.195 623 HE1 PHE 85 2HE PHE 85 7.595 8.657 -4.916 624 HE2 PHE 85 1HE PHE 85 10.355 5.415 -4.697 625 HZ PHE 85 HZ PHE 85 9.887 7.829 -4.558 626 H ILE 86 H ILE 86 6.289 1.923 -7.764 627 HA ILE 86 HA ILE 86 3.513 0.959 -7.974 628 HB ILE 86 HB ILE 86 4.886 0.900 -10.074 629 HG12 ILE 86 1HG1 ILE 86 4.045 -1.812 -9.030 630 HG13 ILE 86 2HG1 ILE 86 2.936 -0.595 -9.655 631 HG21 ILE 86 1HG2 ILE 86 7.014 0.308 -8.886 632 HG22 ILE 86 2HG2 ILE 86 6.384 -1.329 -8.716 633 HG23 ILE 86 3HG2 ILE 86 6.669 -0.657 -10.321 634 HD11 ILE 86 1HD1 ILE 86 5.149 -1.307 -11.446 635 HD12 ILE 86 2HD1 ILE 86 3.985 -2.592 -11.122 636 HD13 ILE 86 3HD1 ILE 86 3.437 -1.055 -11.789 637 H VAL 87 H VAL 87 2.855 -0.504 -6.549 638 HA VAL 87 HA VAL 87 4.833 -1.753 -4.793 639 HB VAL 87 HB VAL 87 1.825 -1.785 -4.526 640 HG11 VAL 87 1HG1 VAL 87 3.839 -3.227 -3.206 641 HG12 VAL 87 2HG1 VAL 87 3.302 -1.984 -2.075 642 HG13 VAL 87 3HG1 VAL 87 2.134 -3.109 -2.770 643 HG21 VAL 87 1HG2 VAL 87 3.253 0.476 -4.434 644 HG22 VAL 87 2HG2 VAL 87 1.853 0.185 -3.402 645 HG23 VAL 87 3HG2 VAL 87 3.480 -0.071 -2.773 646 H ARG 88 H ARG 88 5.359 -3.837 -4.924 647 HA ARG 88 HA ARG 88 3.526 -5.705 -6.242 648 HB2 ARG 88 1HB ARG 88 6.461 -5.416 -6.910 649 HB3 ARG 88 2HB ARG 88 5.417 -6.707 -7.490 650 HG2 ARG 88 1HG ARG 88 4.038 -5.076 -8.667 651 HG3 ARG 88 2HG ARG 88 5.072 -3.774 -8.075 652 HD2 ARG 88 1HD ARG 88 6.254 -6.061 -9.596 653 HD3 ARG 88 2HD ARG 88 5.453 -4.748 -10.457 654 HE ARG 88 HE ARG 88 7.391 -3.815 -8.569 655 HH11 ARG 88 1HH1 ARG 88 6.947 -5.065 -11.788 656 HH12 ARG 88 2HH1 ARG 88 8.385 -4.329 -12.413 657 HH21 ARG 88 1HH2 ARG 88 9.288 -2.841 -9.380 658 HH22 ARG 88 2HH2 ARG 88 9.717 -3.066 -11.042 659 H TYR 89 H TYR 89 3.266 -7.497 -5.087 660 HA TYR 89 HA TYR 89 5.455 -8.478 -3.414 661 HB2 TYR 89 1HB TYR 89 4.061 -8.697 -1.455 662 HB3 TYR 89 2HB TYR 89 4.014 -7.022 -1.993 663 HD1 TYR 89 2HD TYR 89 2.107 -10.179 -1.853 664 HD2 TYR 89 1HD TYR 89 1.974 -6.011 -2.700 665 HE1 TYR 89 2HE TYR 89 -0.350 -10.275 -1.912 666 HE2 TYR 89 1HE TYR 89 -0.483 -6.096 -2.760 667 HH TYR 89 HH TYR 89 -2.280 -8.271 -1.475 668 H ARG 90 H ARG 90 5.091 -10.691 -2.642 669 HA ARG 90 HA ARG 90 3.417 -12.202 -4.535 670 HB2 ARG 90 1HB ARG 90 4.969 -14.080 -4.167 671 HB3 ARG 90 2HB ARG 90 5.791 -12.660 -4.799 672 HG2 ARG 90 1HG ARG 90 6.334 -12.143 -2.338 673 HG3 ARG 90 2HG ARG 90 5.902 -13.830 -2.049 674 HD2 ARG 90 1HD ARG 90 7.563 -14.509 -3.746 675 HD3 ARG 90 2HD ARG 90 8.026 -12.818 -3.937 676 HE ARG 90 HE ARG 90 8.204 -13.753 -1.229 677 HH11 ARG 90 1HH1 ARG 90 9.850 -13.537 -4.289 678 HH12 ARG 90 2HH1 ARG 90 11.433 -13.651 -3.594 679 HH21 ARG 90 1HH2 ARG 90 10.282 -13.905 -0.301 680 HH22 ARG 90 2HH2 ARG 90 11.677 -13.862 -1.325 681 H MET 91 H MET 91 2.186 -13.946 -3.792 682 HA MET 91 HA MET 91 1.876 -14.129 -0.870 683 HB2 MET 91 1HB MET 91 0.016 -12.842 -1.802 684 HB3 MET 91 2HB MET 91 -0.330 -14.140 -2.938 685 HG2 MET 91 1HG MET 91 -1.902 -14.487 -1.298 686 HG3 MET 91 2HG MET 91 -0.615 -15.594 -0.824 687 HE1 MET 91 1HE MET 91 -2.648 -15.215 1.071 688 HE2 MET 91 2HE MET 91 -2.363 -14.141 2.441 689 HE3 MET 91 3HE MET 91 -3.152 -13.527 0.987 690 H TYR 92 H TYR 92 1.509 -15.728 -3.995 691 HA TYR 92 HA TYR 92 1.203 -17.945 -4.534 692 HB2 TYR 92 1HB TYR 92 3.050 -19.366 -3.607 693 HB3 TYR 92 2HB TYR 92 3.592 -17.850 -4.319 694 HD1 TYR 92 2HD TYR 92 4.452 -16.049 -2.906 695 HD2 TYR 92 1HD TYR 92 3.246 -19.771 -1.233 696 HE1 TYR 92 2HE TYR 92 5.630 -15.488 -0.821 697 HE2 TYR 92 1HE TYR 92 4.420 -19.219 0.857 698 HH TYR 92 HH TYR 92 5.348 -16.233 1.710 699 H ALA 93 H ALA 93 -0.762 -17.291 -2.774 700 HA ALA 93 HA ALA 93 -1.299 -19.831 -1.539 701 HB1 ALA 93 1HB ALA 93 -0.429 -19.289 0.453 702 HB2 ALA 93 2HB ALA 93 -0.382 -17.566 0.075 703 HB3 ALA 93 3HB ALA 93 -1.880 -18.304 0.641 704 H SER 94 H SER 94 -3.467 -20.199 -1.279 705 HA SER 94 HA SER 94 -5.255 -18.510 -2.695 706 HB2 SER 94 1HB SER 94 -5.675 -20.949 -0.967 707 HB3 SER 94 2HB SER 94 -7.009 -20.107 -1.755 708 HG SER 94 HG SER 94 -5.338 -21.901 -2.795 709 H TYR 95 H TYR 95 -6.035 -16.653 -1.971 710 HA TYR 95 HA TYR 95 -6.759 -16.449 0.878 711 HB2 TYR 95 1HB TYR 95 -6.116 -14.098 0.840 712 HB3 TYR 95 2HB TYR 95 -4.752 -15.105 0.367 713 HD1 TYR 95 2HD TYR 95 -3.968 -15.125 -1.956 714 HD2 TYR 95 1HD TYR 95 -7.144 -12.577 -0.723 715 HE1 TYR 95 2HE TYR 95 -3.707 -13.811 -4.018 716 HE2 TYR 95 1HE TYR 95 -6.893 -11.257 -2.782 717 HH TYR 95 HH TYR 95 -4.455 -12.110 -5.224 718 H LYS 96 H LYS 96 -8.706 -15.544 1.368 719 HA LYS 96 HA LYS 96 -10.564 -15.212 -0.845 720 HB2 LYS 96 1HB LYS 96 -10.858 -15.525 2.125 721 HB3 LYS 96 2HB LYS 96 -12.203 -14.932 1.160 722 HG2 LYS 96 1HG LYS 96 -11.865 -17.018 -0.273 723 HG3 LYS 96 2HG LYS 96 -10.859 -17.609 1.052 724 HD2 LYS 96 1HD LYS 96 -12.633 -17.843 2.476 725 HD3 LYS 96 2HD LYS 96 -13.552 -16.540 1.718 726 HE2 LYS 96 1HE LYS 96 -13.058 -19.242 0.472 727 HE3 LYS 96 2HE LYS 96 -14.521 -18.798 1.350 728 HZ1 LYS 96 1HZ LYS 96 -14.833 -18.560 -1.024 729 HZ2 LYS 96 2HZ LYS 96 -13.519 -17.499 -1.126 730 HZ3 LYS 96 3HZ LYS 96 -14.910 -17.044 -0.276 731 H ASN 97 H ASN 97 -9.401 -13.357 1.952 732 HA ASN 97 HA ASN 97 -10.028 -10.895 0.502 733 HB2 ASN 97 1HB ASN 97 -10.690 -11.049 3.424 734 HB3 ASN 97 2HB ASN 97 -11.291 -9.928 2.206 735 HD21 ASN 97 1HD2 ASN 97 -12.220 -12.327 4.130 736 HD22 ASN 97 2HD2 ASN 97 -13.489 -13.024 3.187 737 H LEU 98 H LEU 98 -8.584 -9.267 0.821 738 HA LEU 98 HA LEU 98 -6.471 -9.716 2.823 739 HB2 LEU 98 1HB LEU 98 -6.284 -9.121 -0.078 740 HB3 LEU 98 2HB LEU 98 -5.106 -8.358 0.989 741 HG LEU 98 HG LEU 98 -5.527 -11.321 1.084 742 HD11 LEU 98 1HD1 LEU 98 -4.989 -10.189 -1.294 743 HD12 LEU 98 2HD1 LEU 98 -4.353 -11.754 -0.791 744 HD13 LEU 98 3HD1 LEU 98 -3.357 -10.307 -0.634 745 HD21 LEU 98 1HD2 LEU 98 -3.097 -9.597 1.543 746 HD22 LEU 98 2HD2 LEU 98 -3.252 -11.323 1.869 747 HD23 LEU 98 3HD2 LEU 98 -4.184 -10.160 2.813 748 H LYS 99 H LYS 99 -5.296 -7.735 3.437 749 HA LYS 99 HA LYS 99 -6.967 -5.323 3.196 750 HB2 LYS 99 1HB LYS 99 -7.307 -6.259 5.409 751 HB3 LYS 99 2HB LYS 99 -5.571 -6.362 5.668 752 HG2 LYS 99 1HG LYS 99 -5.358 -4.135 6.086 753 HG3 LYS 99 2HG LYS 99 -6.721 -3.697 5.053 754 HD2 LYS 99 1HD LYS 99 -7.152 -3.351 7.477 755 HD3 LYS 99 2HD LYS 99 -8.291 -4.459 6.707 756 HE2 LYS 99 1HE LYS 99 -7.773 -5.581 8.657 757 HE3 LYS 99 2HE LYS 99 -6.638 -6.296 7.513 758 HZ1 LYS 99 1HZ LYS 99 -5.297 -5.814 9.298 759 HZ2 LYS 99 2HZ LYS 99 -6.118 -4.388 9.690 760 HZ3 LYS 99 3HZ LYS 99 -5.083 -4.427 8.353 761 H VAL 100 H VAL 100 -5.923 -3.444 2.787 762 HA VAL 100 HA VAL 100 -2.980 -3.558 2.645 763 HB VAL 100 HB VAL 100 -4.900 -1.999 0.910 764 HG11 VAL 100 1HG1 VAL 100 -2.809 -0.759 1.483 765 HG12 VAL 100 2HG1 VAL 100 -1.892 -2.066 0.731 766 HG13 VAL 100 3HG1 VAL 100 -3.005 -1.097 -0.236 767 HG21 VAL 100 1HG2 VAL 100 -4.789 -3.694 -0.521 768 HG22 VAL 100 2HG2 VAL 100 -3.026 -3.666 -0.486 769 HG23 VAL 100 3HG2 VAL 100 -3.917 -4.620 0.700 770 H GLU 101 H GLU 101 -1.797 -1.724 3.256 771 HA GLU 101 HA GLU 101 -3.241 0.502 4.468 772 HB2 GLU 101 1HB GLU 101 -1.593 -1.490 5.947 773 HB3 GLU 101 2HB GLU 101 -1.459 0.197 6.424 774 HG2 GLU 101 1HG GLU 101 -3.987 0.199 6.598 775 HG3 GLU 101 2HG GLU 101 -3.893 -1.556 6.464 776 H ILE 102 H ILE 102 -2.377 2.276 3.644 777 HA ILE 102 HA ILE 102 0.499 2.281 3.002 778 HB ILE 102 HB ILE 102 -1.541 4.152 1.817 779 HG12 ILE 102 1HG1 ILE 102 -1.083 2.493 -0.222 780 HG13 ILE 102 2HG1 ILE 102 -0.856 1.344 1.092 781 HG21 ILE 102 1HG2 ILE 102 1.256 3.349 1.037 782 HG22 ILE 102 2HG2 ILE 102 0.192 4.340 0.039 783 HG23 ILE 102 3HG2 ILE 102 0.717 4.924 1.618 784 HD11 ILE 102 1HD1 ILE 102 -3.276 3.031 1.204 785 HD12 ILE 102 2HD1 ILE 102 -3.213 1.792 -0.050 786 HD13 ILE 102 3HD1 ILE 102 -3.044 1.340 1.646 787 H LYS 103 H LYS 103 1.662 3.365 4.438 788 HA LYS 103 HA LYS 103 0.489 5.768 5.678 789 HB2 LYS 103 1HB LYS 103 2.381 3.698 6.767 790 HB3 LYS 103 2HB LYS 103 2.269 5.299 7.486 791 HG2 LYS 103 1HG LYS 103 0.030 4.966 8.131 792 HG3 LYS 103 2HG LYS 103 -0.132 3.536 7.108 793 HD2 LYS 103 1HD LYS 103 1.689 2.497 8.558 794 HD3 LYS 103 2HD LYS 103 1.411 3.838 9.672 795 HE2 LYS 103 1HE LYS 103 -1.028 3.170 9.658 796 HE3 LYS 103 2HE LYS 103 -0.533 1.706 8.811 797 HZ1 LYS 103 1HZ LYS 103 1.146 1.921 10.987 798 HZ2 LYS 103 2HZ LYS 103 -0.129 0.827 10.789 799 HZ3 LYS 103 3HZ LYS 103 -0.393 2.300 11.579 800 H PHE 104 H PHE 104 2.011 7.490 6.217 801 HA PHE 104 HA PHE 104 4.510 7.487 4.708 802 HB2 PHE 104 1HB PHE 104 3.252 8.495 3.041 803 HB3 PHE 104 2HB PHE 104 2.168 9.275 4.188 804 HD1 PHE 104 1HD PHE 104 5.548 9.401 2.710 805 HD2 PHE 104 2HD PHE 104 2.591 11.454 4.982 806 HE1 PHE 104 1HE PHE 104 6.840 11.485 2.502 807 HE2 PHE 104 2HE PHE 104 3.877 13.541 4.776 808 HZ PHE 104 HZ PHE 104 6.004 13.559 3.535 809 H GLN 105 H GLN 105 5.893 7.818 6.338 810 HA GLN 105 HA GLN 105 6.997 8.846 8.041 811 HB2 GLN 105 1HB GLN 105 5.237 11.179 7.269 812 HB3 GLN 105 2HB GLN 105 6.597 11.276 8.379 813 HG2 GLN 105 1HG GLN 105 7.964 10.309 6.409 814 HG3 GLN 105 2HG GLN 105 6.599 10.838 5.426 815 HE21 GLN 105 1HE2 GLN 105 9.083 11.878 5.007 816 HE22 GLN 105 2HE2 GLN 105 9.121 13.532 5.503 817 H GLY 106 H GLY 106 4.557 7.328 8.541 818 HA2 GLY 106 1HA GLY 106 3.497 6.705 10.509 819 HA3 GLY 106 2HA GLY 106 4.175 8.127 11.288 820 H GLN 107 H GLN 107 2.014 7.701 8.488 821 HA GLN 107 HA GLN 107 -0.278 8.688 9.841 822 HB2 GLN 107 1HB GLN 107 -0.410 10.882 9.183 823 HB3 GLN 107 2HB GLN 107 1.330 10.732 9.384 824 HG2 GLN 107 1HG GLN 107 1.372 10.154 6.888 825 HG3 GLN 107 2HG GLN 107 -0.266 10.805 6.854 826 HE21 GLN 107 1HE2 GLN 107 3.101 11.526 7.253 827 HE22 GLN 107 2HE2 GLN 107 2.959 13.243 7.140 828 H HIS 108 H HIS 108 -2.090 8.179 8.734 829 HA HIS 108 HA HIS 108 -1.914 6.539 6.450 830 HB2 HIS 108 1HB HIS 108 -4.150 7.787 7.990 831 HB3 HIS 108 2HB HIS 108 -4.500 7.088 6.411 832 HD1 HIS 108 1HD HIS 108 -4.374 4.525 6.194 833 HD2 HIS 108 2HD HIS 108 -3.501 5.940 10.002 834 HE1 HIS 108 1HE HIS 108 -4.400 2.501 7.686 835 HE2 HIS 108 2HE HIS 108 -3.954 3.393 9.999 836 H VAL 109 H VAL 109 -2.171 6.928 4.310 837 HA VAL 109 HA VAL 109 -2.256 9.745 3.493 838 HB VAL 109 HB VAL 109 -1.349 7.286 1.993 839 HG11 VAL 109 1HG1 VAL 109 -0.624 9.797 0.781 840 HG12 VAL 109 2HG1 VAL 109 -1.452 8.407 0.075 841 HG13 VAL 109 3HG1 VAL 109 -2.376 9.650 0.920 842 HG21 VAL 109 1HG2 VAL 109 0.148 8.142 3.789 843 HG22 VAL 109 2HG2 VAL 109 0.859 8.207 2.177 844 HG23 VAL 109 3HG2 VAL 109 0.234 9.677 2.924 845 H ALA 110 H ALA 110 -3.640 6.585 2.630 846 HA ALA 110 HA ALA 110 -5.795 7.984 1.199 847 HB1 ALA 110 1HB ALA 110 -4.907 5.107 1.020 848 HB2 ALA 110 2HB ALA 110 -6.243 5.821 0.116 849 HB3 ALA 110 3HB ALA 110 -4.593 6.379 -0.162 850 H LYS 111 H LYS 111 -7.817 6.262 1.209 851 HA LYS 111 HA LYS 111 -8.823 6.456 3.885 852 HB2 LYS 111 1HB LYS 111 -9.908 5.645 1.236 853 HB3 LYS 111 2HB LYS 111 -10.744 5.056 2.667 854 HG2 LYS 111 1HG LYS 111 -11.846 7.033 2.085 855 HG3 LYS 111 2HG LYS 111 -10.804 7.477 3.439 856 HD2 LYS 111 1HD LYS 111 -10.453 9.205 1.928 857 HD3 LYS 111 2HD LYS 111 -9.097 8.122 1.604 858 HE2 LYS 111 1HE LYS 111 -10.257 7.188 -0.303 859 HE3 LYS 111 2HE LYS 111 -11.684 8.159 0.053 860 HZ1 LYS 111 1HZ LYS 111 -10.101 10.133 -0.201 861 HZ2 LYS 111 2HZ LYS 111 -10.605 9.338 -1.606 862 HZ3 LYS 111 3HZ LYS 111 -9.063 9.044 -0.976 863 H SER 112 H SER 112 -6.711 4.917 4.234 864 HA SER 112 HA SER 112 -7.477 2.111 4.089 865 HB2 SER 112 1HB SER 112 -4.959 3.606 4.588 866 HB3 SER 112 2HB SER 112 -5.117 2.035 5.374 867 HG SER 112 HG SER 112 -5.103 2.655 2.627 868 HA PRO 113 HA PRO 113 -6.191 0.370 5.336 869 HB2 PRO 113 1HB PRO 113 -7.561 -1.747 6.343 870 HB3 PRO 113 2HB PRO 113 -6.165 -1.031 7.157 871 HG2 PRO 113 1HG PRO 113 -9.083 -0.617 7.683 872 HG3 PRO 113 2HG PRO 113 -7.758 -0.841 8.840 873 HD2 PRO 113 1HD PRO 113 -8.789 1.595 8.259 874 HD3 PRO 113 2HD PRO 113 -7.082 1.357 8.683 875 H TYR 114 H TYR 114 -7.088 -1.390 3.901 876 HA TYR 114 HA TYR 114 -9.676 -0.535 2.783 877 HB2 TYR 114 1HB TYR 114 -7.122 -1.401 1.486 878 HB3 TYR 114 2HB TYR 114 -8.648 -1.703 0.661 879 HD1 TYR 114 1HD TYR 114 -10.095 0.214 0.009 880 HD2 TYR 114 2HD TYR 114 -6.187 0.786 1.591 881 HE1 TYR 114 1HE TYR 114 -10.091 2.518 -0.851 882 HE2 TYR 114 2HE TYR 114 -6.173 3.092 0.737 883 HH TYR 114 HH TYR 114 -8.461 4.828 0.087 884 H ILE 115 H ILE 115 -11.159 -1.940 3.492 885 HA ILE 115 HA ILE 115 -10.514 -4.762 3.769 886 HB ILE 115 HB ILE 115 -13.230 -3.560 4.226 887 HG12 ILE 115 1HG1 ILE 115 -11.630 -2.164 5.448 888 HG13 ILE 115 2HG1 ILE 115 -12.577 -3.144 6.562 889 HG21 ILE 115 1HG2 ILE 115 -12.800 -6.059 4.219 890 HG22 ILE 115 2HG2 ILE 115 -11.866 -5.801 5.692 891 HG23 ILE 115 3HG2 ILE 115 -13.583 -5.401 5.656 892 HD11 ILE 115 1HD1 ILE 115 -10.213 -4.568 5.855 893 HD12 ILE 115 2HD1 ILE 115 -9.783 -2.937 6.371 894 HD13 ILE 115 3HD1 ILE 115 -10.730 -3.978 7.434 895 H LEU 116 H LEU 116 -10.435 -5.779 1.844 896 HA LEU 116 HA LEU 116 -12.536 -5.275 -0.129 897 HB2 LEU 116 1HB LEU 116 -10.014 -6.913 -0.346 898 HB3 LEU 116 2HB LEU 116 -11.139 -6.572 -1.659 899 HG LEU 116 HG LEU 116 -10.533 -4.065 -1.011 900 HD11 LEU 116 1HD1 LEU 116 -8.718 -3.763 0.232 901 HD12 LEU 116 2HD1 LEU 116 -7.798 -4.939 -0.705 902 HD13 LEU 116 3HD1 LEU 116 -8.801 -5.476 0.642 903 HD21 LEU 116 1HD2 LEU 116 -9.512 -6.020 -2.915 904 HD22 LEU 116 2HD2 LEU 116 -8.387 -4.697 -2.609 905 HD23 LEU 116 3HD2 LEU 116 -10.025 -4.352 -3.167 906 H LYS 117 H LYS 117 -14.306 -6.469 0.072 907 HA LYS 117 HA LYS 117 -14.044 -9.360 0.325 908 HB2 LYS 117 1HB LYS 117 -15.638 -9.539 2.132 909 HB3 LYS 117 2HB LYS 117 -14.309 -8.505 2.640 910 HG2 LYS 117 1HG LYS 117 -15.858 -6.574 1.856 911 HG3 LYS 117 2HG LYS 117 -17.135 -7.783 2.009 912 HD2 LYS 117 1HD LYS 117 -16.460 -8.178 4.339 913 HD3 LYS 117 2HD LYS 117 -15.211 -6.940 4.178 914 HE2 LYS 117 1HE LYS 117 -18.072 -6.295 3.580 915 HE3 LYS 117 2HE LYS 117 -17.497 -6.325 5.246 916 HZ1 LYS 117 1HZ LYS 117 -16.482 -4.617 3.041 917 HZ2 LYS 117 2HZ LYS 117 -15.753 -4.726 4.564 918 HZ3 LYS 117 3HZ LYS 117 -17.322 -4.110 4.419 919 H GLY 118 H GLY 118 -16.194 -10.455 -0.022 920 HA2 GLY 118 1HA GLY 118 -18.532 -9.483 -0.889 921 HA3 GLY 118 2HA GLY 118 -17.501 -9.170 -2.277 922 H SER 119 H SER 119 -19.787 -11.160 -1.377 923 HA SER 119 HA SER 119 -18.837 -13.303 -3.070 924 HB2 SER 119 1HB SER 119 -18.035 -13.879 -0.746 925 HB3 SER 119 2HB SER 119 -19.727 -13.972 -0.258 926 HG SER 119 HG SER 119 -18.880 -15.428 -2.496 927 H GLY 120 H GLY 120 -20.535 -14.794 -3.679 928 HA2 GLY 120 1HA GLY 120 -22.985 -15.293 -3.222 929 HA3 GLY 120 2HA GLY 120 -23.199 -13.557 -3.395 930 HA PRO 121 HA PRO 121 -22.686 -15.937 -7.615 931 HB2 PRO 121 1HB PRO 121 -24.795 -17.637 -7.790 932 HB3 PRO 121 2HB PRO 121 -23.212 -18.130 -7.176 933 HG2 PRO 121 1HG PRO 121 -25.680 -17.371 -5.660 934 HG3 PRO 121 2HG PRO 121 -24.548 -18.703 -5.361 935 HD2 PRO 121 1HD PRO 121 -24.478 -16.388 -3.957 936 HD3 PRO 121 2HD PRO 121 -23.018 -17.333 -4.312 937 H SER 122 H SER 122 -23.321 -13.699 -8.018 938 HA SER 122 HA SER 122 -26.195 -13.283 -8.420 939 HB2 SER 122 1HB SER 122 -24.576 -11.622 -7.191 940 HB3 SER 122 2HB SER 122 -24.142 -11.135 -8.830 941 HG SER 122 HG SER 122 -26.592 -11.023 -9.055 942 H SER 123 H SER 123 -26.756 -14.158 -10.335 943 HA SER 123 HA SER 123 -25.181 -14.389 -12.614 944 HB2 SER 123 1HB SER 123 -27.222 -14.861 -13.818 945 HB3 SER 123 2HB SER 123 -27.354 -15.568 -12.208 946 HG SER 123 HG SER 123 -28.985 -14.308 -11.819 947 H GLY 124 H GLY 124 -24.899 -13.165 -14.456 948 HA2 GLY 124 1HA GLY 124 -25.512 -11.293 -15.864 949 HA3 GLY 124 2HA GLY 124 -26.033 -10.443 -14.417 Start of MODEL 20 1 H1 GLY 1 H GLY 1 28.240 0.306 3.624 2 HA2 GLY 1 1HA GLY 1 25.627 -0.271 3.614 3 HA3 GLY 1 2HA GLY 1 26.128 -1.003 5.131 4 H SER 2 H SER 2 24.394 1.381 4.363 5 HA SER 2 HA SER 2 25.447 3.142 6.432 6 HB2 SER 2 1HB SER 2 25.429 5.119 5.131 7 HB3 SER 2 2HB SER 2 26.259 3.928 4.130 8 HG SER 2 HG SER 2 24.439 5.304 3.215 9 H SER 3 H SER 3 23.780 5.046 6.711 10 HA SER 3 HA SER 3 21.094 3.833 6.661 11 HB2 SER 3 1HB SER 3 21.962 4.069 8.937 12 HB3 SER 3 2HB SER 3 22.262 5.785 8.662 13 HG SER 3 HG SER 3 20.195 6.194 8.894 14 H GLY 4 H GLY 4 22.895 6.875 6.409 15 HA2 GLY 4 1HA GLY 4 22.467 8.730 5.105 16 HA3 GLY 4 2HA GLY 4 21.125 7.853 4.383 17 H SER 5 H SER 5 20.729 10.453 4.780 18 HA SER 5 HA SER 5 18.459 10.543 6.444 19 HB2 SER 5 1HB SER 5 19.180 11.972 8.234 20 HB3 SER 5 2HB SER 5 20.272 10.589 8.195 21 HG SER 5 HG SER 5 20.790 13.119 7.016 22 H SER 6 H SER 6 17.704 12.908 6.730 23 HA SER 6 HA SER 6 18.716 14.716 4.692 24 HB2 SER 6 1HB SER 6 16.667 14.910 3.473 25 HB3 SER 6 2HB SER 6 17.035 13.188 3.572 26 HG SER 6 HG SER 6 15.482 12.951 5.129 27 H GLY 7 H GLY 7 17.792 16.866 4.843 28 HA2 GLY 7 1HA GLY 7 16.038 17.517 7.025 29 HA3 GLY 7 2HA GLY 7 17.712 17.939 7.353 30 H GLU 8 H GLU 8 18.676 18.937 5.088 31 HA GLU 8 HA GLU 8 18.039 21.527 4.957 32 HB2 GLU 8 1HB GLU 8 18.898 19.661 2.773 33 HB3 GLU 8 2HB GLU 8 18.589 21.353 2.411 34 HG2 GLU 8 1HG GLU 8 20.206 21.869 4.320 35 HG3 GLU 8 2HG GLU 8 20.679 20.175 4.203 36 H THR 9 H THR 9 15.999 22.275 5.089 37 HA THR 9 HA THR 9 14.312 22.003 2.746 38 HB THR 9 HB THR 9 13.637 20.106 4.229 39 HG1 THR 9 1HG THR 9 11.363 20.725 4.166 40 HG21 THR 9 1HG2 THR 9 13.539 20.484 6.428 41 HG22 THR 9 2HG2 THR 9 12.061 21.399 6.132 42 HG23 THR 9 3HG2 THR 9 13.615 22.229 6.192 43 H GLY 10 H GLY 10 12.621 23.584 2.648 44 HA2 GLY 10 1HA GLY 10 11.654 25.389 4.315 45 HA3 GLY 10 2HA GLY 10 13.301 25.985 4.169 46 H GLY 11 H GLY 11 10.209 25.708 2.656 47 HA2 GLY 11 1HA GLY 11 9.714 27.645 1.167 48 HA3 GLY 11 2HA GLY 11 11.232 27.272 0.365 49 H GLU 12 H GLU 12 11.036 24.494 0.214 50 HA GLU 12 HA GLU 12 9.648 24.121 -2.151 51 HB2 GLU 12 1HB GLU 12 10.038 21.774 -1.883 52 HB3 GLU 12 2HB GLU 12 11.428 22.624 -1.224 53 HG2 GLU 12 1HG GLU 12 10.301 22.376 1.043 54 HG3 GLU 12 2HG GLU 12 9.231 21.220 0.252 55 H ARG 13 H ARG 13 7.877 22.393 -2.428 56 HA ARG 13 HA ARG 13 5.535 23.361 -1.120 57 HB2 ARG 13 1HB ARG 13 5.972 21.047 -3.012 58 HB3 ARG 13 2HB ARG 13 4.390 21.553 -2.433 59 HG2 ARG 13 1HG ARG 13 4.454 22.660 -4.418 60 HG3 ARG 13 2HG ARG 13 5.169 23.887 -3.371 61 HD2 ARG 13 1HD ARG 13 7.332 23.444 -4.133 62 HD3 ARG 13 2HD ARG 13 6.876 21.873 -4.790 63 HE ARG 13 HE ARG 13 5.467 23.930 -6.117 64 HH11 ARG 13 1HH1 ARG 13 8.640 22.520 -5.863 65 HH12 ARG 13 2HH1 ARG 13 9.109 22.967 -7.470 66 HH21 ARG 13 1HH2 ARG 13 6.073 24.524 -8.234 67 HH22 ARG 13 2HH2 ARG 13 7.649 24.107 -8.818 68 H GLN 14 H GLN 14 3.969 21.989 0.006 69 HA GLN 14 HA GLN 14 5.341 20.117 1.804 70 HB2 GLN 14 1HB GLN 14 2.706 21.548 2.184 71 HB3 GLN 14 2HB GLN 14 3.508 20.528 3.371 72 HG2 GLN 14 1HG GLN 14 5.478 22.242 2.986 73 HG3 GLN 14 2HG GLN 14 4.146 23.288 2.495 74 HE21 GLN 14 1HE2 GLN 14 6.001 22.357 5.036 75 HE22 GLN 14 2HE2 GLN 14 4.951 22.789 6.338 76 H LEU 15 H LEU 15 5.196 18.137 0.894 77 HA LEU 15 HA LEU 15 3.200 17.130 -0.721 78 HB2 LEU 15 1HB LEU 15 5.107 15.834 -0.634 79 HB3 LEU 15 2HB LEU 15 5.179 15.877 1.127 80 HG LEU 15 HG LEU 15 3.325 14.289 1.247 81 HD11 LEU 15 1HD1 LEU 15 1.922 14.340 -0.500 82 HD12 LEU 15 2HD1 LEU 15 3.037 13.174 -1.213 83 HD13 LEU 15 3HD1 LEU 15 3.172 14.885 -1.619 84 HD21 LEU 15 1HD2 LEU 15 5.828 13.658 -0.222 85 HD22 LEU 15 2HD2 LEU 15 4.584 12.411 -0.134 86 HD23 LEU 15 3HD2 LEU 15 5.260 13.089 1.348 87 H SER 16 H SER 16 1.159 16.519 -0.426 88 HA SER 16 HA SER 16 0.195 16.205 2.340 89 HB2 SER 16 1HB SER 16 -0.752 18.137 1.067 90 HB3 SER 16 2HB SER 16 -1.425 16.992 -0.093 91 HG SER 16 HG SER 16 -2.642 16.090 1.609 92 HA PRO 17 HA PRO 17 -0.275 11.962 0.878 93 HB2 PRO 17 1HB PRO 17 -0.650 10.922 3.358 94 HB3 PRO 17 2HB PRO 17 0.949 11.310 2.710 95 HG2 PRO 17 1HG PRO 17 -0.771 12.889 4.584 96 HG3 PRO 17 2HG PRO 17 0.976 12.590 4.652 97 HD2 PRO 17 1HD PRO 17 -0.070 14.907 3.721 98 HD3 PRO 17 2HD PRO 17 1.443 14.223 3.093 99 H GLU 18 H GLU 18 -2.339 13.580 3.275 100 HA GLU 18 HA GLU 18 -4.535 11.865 3.137 101 HB2 GLU 18 1HB GLU 18 -5.856 13.830 3.939 102 HB3 GLU 18 2HB GLU 18 -4.410 13.503 4.884 103 HG2 GLU 18 1HG GLU 18 -3.258 15.332 3.936 104 HG3 GLU 18 2HG GLU 18 -4.480 15.543 2.683 105 H LYS 19 H LYS 19 -3.499 14.428 1.008 106 HA LYS 19 HA LYS 19 -5.981 14.407 -0.494 107 HB2 LYS 19 1HB LYS 19 -3.380 15.897 -0.854 108 HB3 LYS 19 2HB LYS 19 -4.730 16.032 -1.974 109 HG2 LYS 19 1HG LYS 19 -6.051 16.603 0.239 110 HG3 LYS 19 2HG LYS 19 -4.442 17.072 0.790 111 HD2 LYS 19 1HD LYS 19 -5.514 19.005 -0.141 112 HD3 LYS 19 2HD LYS 19 -4.233 18.497 -1.244 113 HE2 LYS 19 1HE LYS 19 -5.718 17.743 -2.833 114 HE3 LYS 19 2HE LYS 19 -7.000 17.463 -1.656 115 HZ1 LYS 19 1HZ LYS 19 -7.065 19.494 -3.294 116 HZ2 LYS 19 2HZ LYS 19 -6.118 20.218 -2.095 117 HZ3 LYS 19 3HZ LYS 19 -7.655 19.625 -1.714 118 H SER 20 H SER 20 -2.795 13.025 -0.663 119 HA SER 20 HA SER 20 -2.515 12.406 -3.325 120 HB2 SER 20 1HB SER 20 -1.758 10.832 -0.864 121 HB3 SER 20 2HB SER 20 -1.309 10.316 -2.489 122 HG SER 20 HG SER 20 -0.675 12.840 -1.355 123 H GLU 21 H GLU 21 -3.313 10.909 -4.720 124 HA GLU 21 HA GLU 21 -5.596 9.322 -3.759 125 HB2 GLU 21 1HB GLU 21 -4.983 10.109 -6.610 126 HB3 GLU 21 2HB GLU 21 -6.469 9.392 -6.000 127 HG2 GLU 21 1HG GLU 21 -6.572 11.523 -4.517 128 HG3 GLU 21 2HG GLU 21 -5.459 12.182 -5.715 129 H ILE 22 H ILE 22 -5.566 7.162 -3.897 130 HA ILE 22 HA ILE 22 -3.289 5.916 -5.293 131 HB ILE 22 HB ILE 22 -4.790 4.854 -2.896 132 HG12 ILE 22 1HG1 ILE 22 -1.993 5.992 -3.109 133 HG13 ILE 22 2HG1 ILE 22 -3.367 6.794 -2.357 134 HG21 ILE 22 1HG2 ILE 22 -3.658 3.305 -4.705 135 HG22 ILE 22 2HG2 ILE 22 -2.193 3.748 -3.830 136 HG23 ILE 22 3HG2 ILE 22 -3.521 2.955 -2.982 137 HD11 ILE 22 1HD1 ILE 22 -1.711 4.543 -1.378 138 HD12 ILE 22 2HD1 ILE 22 -2.366 5.934 -0.513 139 HD13 ILE 22 3HD1 ILE 22 -3.415 4.578 -0.925 140 H TRP 23 H TRP 23 -4.082 5.277 -7.214 141 HA TRP 23 HA TRP 23 -6.590 3.731 -7.217 142 HB2 TRP 23 1HB TRP 23 -7.046 4.481 -9.393 143 HB3 TRP 23 2HB TRP 23 -6.405 5.909 -8.586 144 HD1 TRP 23 HD TRP 23 -5.456 3.287 -11.223 145 HE1 TRP 23 1HE TRP 23 -3.502 4.208 -12.623 146 HE3 TRP 23 3HE TRP 23 -4.465 7.525 -8.541 147 HZ2 TRP 23 2HZ TRP 23 -1.769 6.437 -12.593 148 HZ3 TRP 23 3HZ TRP 23 -2.642 8.998 -9.294 149 HH2 TRP 23 HH TRP 23 -1.324 8.462 -11.277 150 H GLY 24 H GLY 24 -6.709 1.900 -8.674 151 HA2 GLY 24 1HA GLY 24 -4.743 0.783 -10.201 152 HA3 GLY 24 2HA GLY 24 -4.311 0.317 -8.562 153 HA PRO 25 HA PRO 25 -7.705 -2.429 -10.534 154 HB2 PRO 25 1HB PRO 25 -6.168 -4.476 -11.438 155 HB3 PRO 25 2HB PRO 25 -6.604 -3.088 -12.440 156 HG2 PRO 25 1HG PRO 25 -4.066 -3.623 -10.947 157 HG3 PRO 25 2HG PRO 25 -4.286 -2.979 -12.584 158 HD2 PRO 25 1HD PRO 25 -3.740 -1.395 -10.458 159 HD3 PRO 25 2HD PRO 25 -4.736 -0.851 -11.823 160 H GLY 26 H GLY 26 -4.806 -3.020 -8.647 161 HA2 GLY 26 1HA GLY 26 -5.292 -5.486 -7.535 162 HA3 GLY 26 2HA GLY 26 -4.518 -4.165 -6.673 163 H LEU 27 H LEU 27 -6.780 -2.409 -6.667 164 HA LEU 27 HA LEU 27 -8.052 -3.278 -4.311 165 HB2 LEU 27 1HB LEU 27 -8.873 -1.121 -6.250 166 HB3 LEU 27 2HB LEU 27 -9.522 -1.330 -4.625 167 HG LEU 27 HG LEU 27 -6.597 -0.840 -5.097 168 HD11 LEU 27 1HD1 LEU 27 -6.877 1.468 -5.038 169 HD12 LEU 27 2HD1 LEU 27 -8.545 1.350 -4.478 170 HD13 LEU 27 3HD1 LEU 27 -8.142 0.928 -6.142 171 HD21 LEU 27 1HD2 LEU 27 -8.433 -0.349 -2.754 172 HD22 LEU 27 2HD2 LEU 27 -6.708 0.016 -2.807 173 HD23 LEU 27 3HD2 LEU 27 -7.259 -1.657 -2.899 174 H LYS 28 H LYS 28 -8.802 -3.714 -7.662 175 HA LYS 28 HA LYS 28 -11.542 -4.183 -7.575 176 HB2 LYS 28 1HB LYS 28 -9.448 -5.526 -9.295 177 HB3 LYS 28 2HB LYS 28 -11.181 -5.588 -9.589 178 HG2 LYS 28 1HG LYS 28 -11.231 -3.180 -9.915 179 HG3 LYS 28 2HG LYS 28 -9.502 -3.088 -9.573 180 HD2 LYS 28 1HD LYS 28 -9.616 -3.075 -11.906 181 HD3 LYS 28 2HD LYS 28 -9.233 -4.752 -11.511 182 HE2 LYS 28 1HE LYS 28 -10.922 -5.004 -13.062 183 HE3 LYS 28 2HE LYS 28 -11.815 -5.067 -11.544 184 HZ1 LYS 28 1HZ LYS 28 -11.644 -2.394 -12.313 185 HZ2 LYS 28 2HZ LYS 28 -13.023 -3.370 -12.247 186 HZ3 LYS 28 3HZ LYS 28 -12.126 -3.270 -13.678 187 H ALA 29 H ALA 29 -12.752 -6.155 -7.526 188 HA ALA 29 HA ALA 29 -12.037 -7.865 -5.389 189 HB1 ALA 29 1HB ALA 29 -14.303 -7.584 -7.236 190 HB2 ALA 29 2HB ALA 29 -14.041 -9.214 -6.616 191 HB3 ALA 29 3HB ALA 29 -14.282 -7.873 -5.496 192 H ASP 30 H ASP 30 -12.542 -8.657 -8.835 193 HA ASP 30 HA ASP 30 -11.260 -11.201 -8.571 194 HB2 ASP 30 1HB ASP 30 -13.075 -10.695 -10.224 195 HB3 ASP 30 2HB ASP 30 -11.921 -9.706 -11.115 196 H VAL 31 H VAL 31 -9.161 -10.961 -7.900 197 HA VAL 31 HA VAL 31 -7.377 -9.318 -9.558 198 HB VAL 31 HB VAL 31 -5.742 -9.524 -7.749 199 HG11 VAL 31 1HG1 VAL 31 -6.654 -7.715 -6.842 200 HG12 VAL 31 2HG1 VAL 31 -8.162 -8.101 -7.674 201 HG13 VAL 31 3HG1 VAL 31 -7.882 -8.689 -6.034 202 HG21 VAL 31 1HG2 VAL 31 -7.039 -11.796 -7.050 203 HG22 VAL 31 2HG2 VAL 31 -5.915 -10.933 -5.999 204 HG23 VAL 31 3HG2 VAL 31 -7.652 -10.676 -5.833 205 H VAL 32 H VAL 32 -5.320 -10.183 -10.209 206 HA VAL 32 HA VAL 32 -5.418 -12.600 -11.527 207 HB VAL 32 HB VAL 32 -3.046 -12.450 -11.846 208 HG11 VAL 32 1HG1 VAL 32 -3.624 -9.558 -11.680 209 HG12 VAL 32 2HG1 VAL 32 -3.058 -10.529 -13.041 210 HG13 VAL 32 3HG1 VAL 32 -4.766 -10.535 -12.601 211 HG21 VAL 32 1HG2 VAL 32 -2.324 -12.132 -9.567 212 HG22 VAL 32 2HG2 VAL 32 -1.669 -10.836 -10.568 213 HG23 VAL 32 3HG2 VAL 32 -3.055 -10.527 -9.522 214 H LEU 33 H LEU 33 -4.118 -14.565 -11.169 215 HA LEU 33 HA LEU 33 -4.769 -15.838 -8.779 216 HB2 LEU 33 1HB LEU 33 -3.858 -16.661 -11.171 217 HB3 LEU 33 2HB LEU 33 -2.384 -16.820 -10.219 218 HG LEU 33 HG LEU 33 -3.921 -18.166 -8.590 219 HD11 LEU 33 1HD1 LEU 33 -5.837 -19.116 -9.430 220 HD12 LEU 33 2HD1 LEU 33 -5.359 -18.864 -11.108 221 HD13 LEU 33 3HD1 LEU 33 -5.918 -17.502 -10.137 222 HD21 LEU 33 1HD2 LEU 33 -3.300 -20.205 -9.712 223 HD22 LEU 33 2HD2 LEU 33 -1.993 -19.032 -9.877 224 HD23 LEU 33 3HD2 LEU 33 -3.076 -19.344 -11.235 225 HA PRO 34 HA PRO 34 -0.163 -15.137 -7.431 226 HB2 PRO 34 1HB PRO 34 1.196 -13.192 -8.750 227 HB3 PRO 34 2HB PRO 34 1.196 -14.883 -9.266 228 HG2 PRO 34 1HG PRO 34 -0.417 -12.586 -10.306 229 HG3 PRO 34 2HG PRO 34 0.415 -13.868 -11.206 230 HD2 PRO 34 1HD PRO 34 -2.252 -13.911 -10.737 231 HD3 PRO 34 2HD PRO 34 -1.277 -15.391 -10.846 232 H ALA 35 H ALA 35 -0.118 -11.891 -8.649 233 HA ALA 35 HA ALA 35 -1.676 -10.748 -6.524 234 HB1 ALA 35 1HB ALA 35 1.302 -10.817 -6.354 235 HB2 ALA 35 2HB ALA 35 0.428 -9.414 -5.737 236 HB3 ALA 35 3HB ALA 35 0.097 -11.018 -5.082 237 H ARG 36 H ARG 36 -2.002 -8.503 -6.766 238 HA ARG 36 HA ARG 36 -1.284 -7.511 -9.435 239 HB2 ARG 36 1HB ARG 36 -3.538 -6.849 -7.548 240 HB3 ARG 36 2HB ARG 36 -3.148 -5.828 -8.926 241 HG2 ARG 36 1HG ARG 36 -3.385 -7.958 -10.329 242 HG3 ARG 36 2HG ARG 36 -4.179 -8.639 -8.907 243 HD2 ARG 36 1HD ARG 36 -5.961 -7.158 -9.036 244 HD3 ARG 36 2HD ARG 36 -5.052 -5.996 -10.002 245 HE ARG 36 HE ARG 36 -6.587 -8.210 -10.964 246 HH11 ARG 36 1HH1 ARG 36 -3.852 -6.162 -11.632 247 HH12 ARG 36 2HH1 ARG 36 -3.922 -6.406 -13.346 248 HH21 ARG 36 1HH2 ARG 36 -6.690 -8.539 -13.219 249 HH22 ARG 36 2HH2 ARG 36 -5.537 -7.758 -14.248 250 H TYR 37 H TYR 37 -1.077 -5.061 -9.555 251 HA TYR 37 HA TYR 37 0.277 -3.971 -7.188 252 HB2 TYR 37 1HB TYR 37 2.065 -3.058 -8.621 253 HB3 TYR 37 2HB TYR 37 2.032 -4.818 -8.656 254 HD1 TYR 37 2HD TYR 37 0.833 -5.931 -10.639 255 HD2 TYR 37 1HD TYR 37 1.996 -1.838 -10.611 256 HE1 TYR 37 2HE TYR 37 0.706 -5.884 -13.094 257 HE2 TYR 37 1HE TYR 37 1.871 -1.780 -13.067 258 HH TYR 37 HH TYR 37 1.733 -4.518 -14.966 259 H PHE 38 H PHE 38 0.178 -1.736 -6.958 260 HA PHE 38 HA PHE 38 -1.540 -0.324 -8.888 261 HB2 PHE 38 1HB PHE 38 -2.448 0.953 -6.911 262 HB3 PHE 38 2HB PHE 38 -2.919 -0.741 -6.981 263 HD1 PHE 38 1HD PHE 38 -1.290 -2.371 -5.678 264 HD2 PHE 38 2HD PHE 38 -1.721 1.793 -4.905 265 HE1 PHE 38 1HE PHE 38 -0.425 -2.707 -3.399 266 HE2 PHE 38 2HE PHE 38 -0.856 1.463 -2.626 267 HZ PHE 38 HZ PHE 38 -0.206 -0.789 -1.870 268 H TYR 39 H TYR 39 -1.420 2.146 -8.428 269 HA TYR 39 HA TYR 39 1.432 2.832 -8.178 270 HB2 TYR 39 1HB TYR 39 -0.700 4.452 -9.575 271 HB3 TYR 39 2HB TYR 39 1.045 4.670 -9.666 272 HD1 TYR 39 1HD TYR 39 -1.624 2.185 -10.449 273 HD2 TYR 39 2HD TYR 39 2.231 3.704 -11.417 274 HE1 TYR 39 1HE TYR 39 -1.553 0.728 -12.430 275 HE2 TYR 39 2HE TYR 39 2.311 2.253 -13.401 276 HH TYR 39 HH TYR 39 0.987 -0.169 -13.962 277 H ILE 40 H ILE 40 1.833 5.112 -7.423 278 HA ILE 40 HA ILE 40 -0.157 6.046 -5.486 279 HB ILE 40 HB ILE 40 2.724 5.430 -4.834 280 HG12 ILE 40 1HG1 ILE 40 0.246 4.538 -3.371 281 HG13 ILE 40 2HG1 ILE 40 0.897 3.627 -4.729 282 HG21 ILE 40 1HG2 ILE 40 0.686 6.962 -3.227 283 HG22 ILE 40 2HG2 ILE 40 2.231 6.384 -2.605 284 HG23 ILE 40 3HG2 ILE 40 2.193 7.586 -3.895 285 HD11 ILE 40 1HD1 ILE 40 3.039 3.436 -3.502 286 HD12 ILE 40 2HD1 ILE 40 2.269 4.218 -2.121 287 HD13 ILE 40 3HD1 ILE 40 1.680 2.658 -2.692 288 H GLN 41 H GLN 41 -0.584 8.021 -6.252 289 HA GLN 41 HA GLN 41 1.590 9.676 -7.289 290 HB2 GLN 41 1HB GLN 41 -0.313 9.616 -8.722 291 HB3 GLN 41 2HB GLN 41 -1.413 9.936 -7.388 292 HG2 GLN 41 1HG GLN 41 -1.331 11.981 -8.411 293 HG3 GLN 41 2HG GLN 41 -0.083 12.159 -7.179 294 HE21 GLN 41 1HE2 GLN 41 1.343 13.492 -8.081 295 HE22 GLN 41 2HE2 GLN 41 2.117 13.245 -9.606 296 H ALA 42 H ALA 42 2.230 11.582 -6.384 297 HA ALA 42 HA ALA 42 1.356 12.047 -3.634 298 HB1 ALA 42 1HB ALA 42 3.848 12.018 -4.775 299 HB2 ALA 42 2HB ALA 42 3.505 13.743 -4.642 300 HB3 ALA 42 3HB ALA 42 3.445 12.719 -3.208 301 H VAL 43 H VAL 43 0.193 13.765 -3.016 302 HA VAL 43 HA VAL 43 -0.246 15.918 -4.983 303 HB VAL 43 HB VAL 43 -2.257 14.732 -3.066 304 HG11 VAL 43 1HG1 VAL 43 -2.330 17.253 -3.379 305 HG12 VAL 43 2HG1 VAL 43 -2.774 16.925 -5.055 306 HG13 VAL 43 3HG1 VAL 43 -3.810 16.366 -3.741 307 HG21 VAL 43 1HG2 VAL 43 -2.445 14.886 -6.060 308 HG22 VAL 43 2HG2 VAL 43 -1.698 13.516 -5.236 309 HG23 VAL 43 3HG2 VAL 43 -3.395 13.901 -4.948 310 H ASP 44 H ASP 44 -0.205 17.998 -4.254 311 HA ASP 44 HA ASP 44 1.084 18.482 -1.745 312 HB2 ASP 44 1HB ASP 44 1.252 19.796 -4.008 313 HB3 ASP 44 2HB ASP 44 -0.146 20.667 -3.384 314 H THR 45 H THR 45 0.115 20.584 -0.547 315 HA THR 45 HA THR 45 -2.186 19.644 0.814 316 HB THR 45 HB THR 45 -2.118 21.774 2.042 317 HG1 THR 45 1HG THR 45 -1.469 23.118 0.281 318 HG21 THR 45 1HG2 THR 45 0.758 21.175 1.904 319 HG22 THR 45 2HG2 THR 45 -0.283 19.771 2.144 320 HG23 THR 45 3HG2 THR 45 -0.348 21.121 3.276 321 H SER 46 H SER 46 -1.767 21.552 -1.997 322 HA SER 46 HA SER 46 -4.475 22.653 -1.819 323 HB2 SER 46 1HB SER 46 -2.104 23.252 -3.574 324 HB3 SER 46 2HB SER 46 -3.721 23.803 -4.013 325 HG SER 46 HG SER 46 -2.105 24.554 -1.846 326 H GLY 47 H GLY 47 -2.442 20.873 -4.149 327 HA2 GLY 47 1HA GLY 47 -3.751 18.752 -4.869 328 HA3 GLY 47 2HA GLY 47 -4.893 19.941 -5.478 329 H ASN 48 H ASN 48 -1.347 20.005 -5.534 330 HA ASN 48 HA ASN 48 -1.500 20.202 -8.467 331 HB2 ASN 48 1HB ASN 48 0.921 21.047 -6.922 332 HB3 ASN 48 2HB ASN 48 0.308 21.655 -8.457 333 HD21 ASN 48 1HD2 ASN 48 0.234 21.938 -5.041 334 HD22 ASN 48 2HD2 ASN 48 -0.804 23.317 -4.955 335 H LYS 49 H LYS 49 -1.254 18.152 -9.179 336 HA LYS 49 HA LYS 49 -0.033 15.993 -8.188 337 HB2 LYS 49 1HB LYS 49 -0.189 17.026 -10.986 338 HB3 LYS 49 2HB LYS 49 0.777 15.590 -10.672 339 HG2 LYS 49 1HG LYS 49 -1.120 14.408 -9.838 340 HG3 LYS 49 2HG LYS 49 -2.112 15.868 -9.878 341 HD2 LYS 49 1HD LYS 49 -2.042 15.924 -12.274 342 HD3 LYS 49 2HD LYS 49 -0.864 14.610 -12.318 343 HE2 LYS 49 1HE LYS 49 -2.615 13.189 -11.164 344 HE3 LYS 49 2HE LYS 49 -3.759 14.486 -11.505 345 HZ1 LYS 49 1HZ LYS 49 -3.569 12.554 -13.155 346 HZ2 LYS 49 2HZ LYS 49 -2.141 13.302 -13.668 347 HZ3 LYS 49 3HZ LYS 49 -3.614 14.128 -13.773 348 H PHE 50 H PHE 50 1.936 15.340 -7.587 349 HA PHE 50 HA PHE 50 4.120 17.184 -7.629 350 HB2 PHE 50 1HB PHE 50 3.600 14.491 -6.495 351 HB3 PHE 50 2HB PHE 50 5.285 14.910 -6.787 352 HD1 PHE 50 1HD PHE 50 2.206 16.294 -5.212 353 HD2 PHE 50 2HD PHE 50 6.454 16.036 -5.156 354 HE1 PHE 50 1HE PHE 50 2.251 17.559 -3.102 355 HE2 PHE 50 2HE PHE 50 6.506 17.299 -3.045 356 HZ PHE 50 HZ PHE 50 4.403 18.062 -2.015 357 H THR 51 H THR 51 3.674 13.937 -9.033 358 HA THR 51 HA THR 51 4.801 12.848 -10.701 359 HB THR 51 HB THR 51 5.070 14.225 -12.806 360 HG1 THR 51 1HG THR 51 5.271 16.249 -11.511 361 HG21 THR 51 1HG2 THR 51 2.329 14.849 -12.138 362 HG22 THR 51 2HG2 THR 51 2.777 13.249 -11.548 363 HG23 THR 51 3HG2 THR 51 2.963 13.643 -13.256 364 H SER 52 H SER 52 6.469 14.146 -8.639 365 HA SER 52 HA SER 52 8.938 14.448 -10.221 366 HB2 SER 52 1HB SER 52 8.031 16.523 -8.961 367 HB3 SER 52 2HB SER 52 8.579 15.693 -7.504 368 HG SER 52 HG SER 52 10.498 16.374 -7.972 369 H SER 53 H SER 53 10.909 14.139 -8.615 370 HA SER 53 HA SER 53 10.498 11.506 -7.394 371 HB2 SER 53 1HB SER 53 12.966 11.293 -7.542 372 HB3 SER 53 2HB SER 53 12.223 11.594 -9.113 373 HG SER 53 HG SER 53 14.068 13.049 -7.807 374 HA PRO 54 HA PRO 54 10.735 13.900 -3.556 375 HB2 PRO 54 1HB PRO 54 9.644 11.942 -2.024 376 HB3 PRO 54 2HB PRO 54 8.674 13.050 -3.003 377 HG2 PRO 54 1HG PRO 54 9.526 10.243 -3.602 378 HG3 PRO 54 2HG PRO 54 7.948 11.012 -3.857 379 HD2 PRO 54 1HD PRO 54 9.738 10.659 -5.858 380 HD3 PRO 54 2HD PRO 54 8.624 12.041 -5.805 381 H GLY 55 H GLY 55 11.550 10.443 -3.873 382 HA2 GLY 55 1HA GLY 55 14.213 10.737 -3.048 383 HA3 GLY 55 2HA GLY 55 13.255 10.310 -1.638 384 H GLU 56 H GLU 56 14.156 8.294 -1.341 385 HA GLU 56 HA GLU 56 13.908 6.371 -3.542 386 HB2 GLU 56 1HB GLU 56 16.091 6.712 -2.230 387 HB3 GLU 56 2HB GLU 56 15.286 5.869 -0.914 388 HG2 GLU 56 1HG GLU 56 15.200 3.866 -2.076 389 HG3 GLU 56 2HG GLU 56 15.421 4.650 -3.639 390 H LYS 57 H LYS 57 13.415 6.419 -0.008 391 HA LYS 57 HA LYS 57 11.061 4.695 -0.414 392 HB2 LYS 57 1HB LYS 57 13.176 4.556 1.731 393 HB3 LYS 57 2HB LYS 57 11.607 3.779 1.900 394 HG2 LYS 57 1HG LYS 57 13.453 3.236 -0.407 395 HG3 LYS 57 2HG LYS 57 13.496 2.318 1.100 396 HD2 LYS 57 1HD LYS 57 11.388 1.401 0.746 397 HD3 LYS 57 2HD LYS 57 10.926 2.661 -0.401 398 HE2 LYS 57 1HE LYS 57 11.328 0.583 -1.575 399 HE3 LYS 57 2HE LYS 57 12.562 1.765 -2.008 400 HZ1 LYS 57 1HZ LYS 57 13.778 0.571 0.004 401 HZ2 LYS 57 2HZ LYS 57 13.898 0.010 -1.587 402 HZ3 LYS 57 3HZ LYS 57 12.817 -0.722 -0.511 403 H VAL 58 H VAL 58 9.594 6.387 -0.350 404 HA VAL 58 HA VAL 58 9.474 7.905 2.173 405 HB VAL 58 HB VAL 58 8.062 9.532 0.941 406 HG11 VAL 58 1HG1 VAL 58 10.797 9.010 -0.220 407 HG12 VAL 58 2HG1 VAL 58 9.897 10.519 -0.384 408 HG13 VAL 58 3HG1 VAL 58 10.425 9.974 1.208 409 HG21 VAL 58 1HG2 VAL 58 7.144 8.185 -0.796 410 HG22 VAL 58 2HG2 VAL 58 8.141 9.419 -1.566 411 HG23 VAL 58 3HG2 VAL 58 8.746 7.771 -1.406 412 H PHE 59 H PHE 59 7.471 6.265 -0.259 413 HA PHE 59 HA PHE 59 5.225 6.212 1.607 414 HB2 PHE 59 1HB PHE 59 5.533 5.688 -1.327 415 HB3 PHE 59 2HB PHE 59 4.143 5.031 -0.468 416 HD1 PHE 59 1HD PHE 59 3.209 6.992 1.289 417 HD2 PHE 59 2HD PHE 59 5.002 7.557 -2.529 418 HE1 PHE 59 1HE PHE 59 2.050 9.151 1.068 419 HE2 PHE 59 2HE PHE 59 3.847 9.718 -2.756 420 HZ PHE 59 HZ PHE 59 2.369 10.517 -0.955 421 H GLN 60 H GLN 60 4.430 4.388 2.539 422 HA GLN 60 HA GLN 60 5.814 1.858 1.948 423 HB2 GLN 60 1HB GLN 60 6.625 2.844 4.069 424 HB3 GLN 60 2HB GLN 60 4.978 2.835 4.684 425 HG2 GLN 60 1HG GLN 60 4.924 0.535 4.889 426 HG3 GLN 60 2HG GLN 60 6.235 0.300 3.734 427 HE21 GLN 60 1HE2 GLN 60 6.526 -1.103 5.894 428 HE22 GLN 60 2HE2 GLN 60 7.677 -0.423 6.987 429 H VAL 61 H VAL 61 4.589 -0.008 2.019 430 HA VAL 61 HA VAL 61 1.702 0.334 2.487 431 HB VAL 61 HB VAL 61 2.931 -1.286 0.252 432 HG11 VAL 61 1HG1 VAL 61 0.026 -0.641 0.497 433 HG12 VAL 61 2HG1 VAL 61 0.814 -1.976 -0.345 434 HG13 VAL 61 3HG1 VAL 61 0.702 -1.986 1.415 435 HG21 VAL 61 1HG2 VAL 61 3.150 0.868 -0.528 436 HG22 VAL 61 2HG2 VAL 61 1.527 0.468 -1.092 437 HG23 VAL 61 3HG2 VAL 61 1.740 1.449 0.359 438 H LYS 62 H LYS 62 0.890 -1.069 3.894 439 HA LYS 62 HA LYS 62 2.451 -3.485 4.518 440 HB2 LYS 62 1HB LYS 62 2.198 -1.943 6.399 441 HB3 LYS 62 2HB LYS 62 0.449 -1.980 6.213 442 HG2 LYS 62 1HG LYS 62 0.723 -3.459 7.928 443 HG3 LYS 62 2HG LYS 62 0.779 -4.558 6.547 444 HD2 LYS 62 1HD LYS 62 2.614 -5.244 7.769 445 HD3 LYS 62 2HD LYS 62 3.344 -4.099 6.640 446 HE2 LYS 62 1HE LYS 62 3.206 -2.348 8.364 447 HE3 LYS 62 2HE LYS 62 2.526 -3.524 9.488 448 HZ1 LYS 62 1HZ LYS 62 4.717 -4.806 8.800 449 HZ2 LYS 62 2HZ LYS 62 4.693 -3.685 10.066 450 HZ3 LYS 62 3HZ LYS 62 5.270 -3.228 8.543 451 H VAL 63 H VAL 63 1.404 -5.476 4.765 452 HA VAL 63 HA VAL 63 -1.361 -5.592 3.755 453 HB VAL 63 HB VAL 63 0.866 -7.514 3.064 454 HG11 VAL 63 1HG1 VAL 63 -1.701 -8.207 3.317 455 HG12 VAL 63 2HG1 VAL 63 -1.743 -7.576 1.669 456 HG13 VAL 63 3HG1 VAL 63 -0.644 -8.892 2.083 457 HG21 VAL 63 1HG2 VAL 63 -0.303 -6.382 0.765 458 HG22 VAL 63 2HG2 VAL 63 0.040 -5.049 1.868 459 HG23 VAL 63 3HG2 VAL 63 1.333 -6.144 1.378 460 H SER 64 H SER 64 -2.709 -6.575 5.101 461 HA SER 64 HA SER 64 -1.688 -8.694 6.858 462 HB2 SER 64 1HB SER 64 -2.772 -7.794 8.788 463 HB3 SER 64 2HB SER 64 -1.851 -6.472 8.071 464 HG SER 64 HG SER 64 -4.618 -6.878 8.168 465 H ALA 65 H ALA 65 -3.326 -10.147 7.653 466 HA ALA 65 HA ALA 65 -5.646 -10.284 5.847 467 HB1 ALA 65 1HB ALA 65 -3.764 -12.148 6.100 468 HB2 ALA 65 2HB ALA 65 -4.825 -12.662 7.412 469 HB3 ALA 65 3HB ALA 65 -5.450 -12.545 5.767 470 HA PRO 66 HA PRO 66 -8.338 -9.604 9.270 471 HB2 PRO 66 1HB PRO 66 -10.604 -10.676 8.228 472 HB3 PRO 66 2HB PRO 66 -9.950 -9.119 7.706 473 HG2 PRO 66 1HG PRO 66 -9.695 -11.809 6.417 474 HG3 PRO 66 2HG PRO 66 -10.017 -10.235 5.667 475 HD2 PRO 66 1HD PRO 66 -7.562 -11.379 5.658 476 HD3 PRO 66 2HD PRO 66 -7.796 -9.620 5.709 477 H GLU 67 H GLU 67 -8.736 -12.800 7.723 478 HA GLU 67 HA GLU 67 -9.535 -14.011 10.212 479 HB2 GLU 67 1HB GLU 67 -8.891 -15.274 7.541 480 HB3 GLU 67 2HB GLU 67 -9.628 -16.097 8.908 481 HG2 GLU 67 1HG GLU 67 -10.862 -13.711 7.565 482 HG3 GLU 67 2HG GLU 67 -11.195 -15.374 7.088 483 H GLU 68 H GLU 68 -6.850 -14.667 7.951 484 HA GLU 68 HA GLU 68 -5.405 -16.252 9.797 485 HB2 GLU 68 1HB GLU 68 -5.220 -16.121 7.210 486 HB3 GLU 68 2HB GLU 68 -4.111 -14.791 7.516 487 HG2 GLU 68 1HG GLU 68 -2.695 -16.598 7.322 488 HG3 GLU 68 2HG GLU 68 -2.899 -16.456 9.067 489 H GLN 69 H GLN 69 -5.010 -15.246 11.721 490 HA GLN 69 HA GLN 69 -4.380 -12.666 12.285 491 HB2 GLN 69 1HB GLN 69 -3.153 -13.493 14.258 492 HB3 GLN 69 2HB GLN 69 -4.681 -14.332 14.025 493 HG2 GLN 69 1HG GLN 69 -3.123 -16.021 12.709 494 HG3 GLN 69 2HG GLN 69 -1.905 -15.335 13.783 495 HE21 GLN 69 1HE2 GLN 69 -2.309 -17.908 14.087 496 HE22 GLN 69 2HE2 GLN 69 -3.239 -18.261 15.499 497 H PHE 70 H PHE 70 -2.110 -15.180 11.241 498 HA PHE 70 HA PHE 70 -0.051 -13.107 10.908 499 HB2 PHE 70 1HB PHE 70 1.602 -14.809 11.082 500 HB3 PHE 70 2HB PHE 70 0.437 -15.128 12.363 501 HD1 PHE 70 2HD PHE 70 1.286 -16.107 8.878 502 HD2 PHE 70 1HD PHE 70 -0.504 -17.231 12.572 503 HE1 PHE 70 2HE PHE 70 0.996 -18.400 8.036 504 HE2 PHE 70 1HE PHE 70 -0.796 -19.527 11.736 505 HZ PHE 70 HZ PHE 70 -0.047 -20.113 9.465 506 H THR 71 H THR 71 1.134 -12.981 8.977 507 HA THR 71 HA THR 71 0.395 -14.635 6.722 508 HB THR 71 HB THR 71 -1.384 -12.903 6.742 509 HG1 THR 71 1HG THR 71 0.347 -12.427 4.547 510 HG21 THR 71 1HG2 THR 71 0.436 -10.788 5.813 511 HG22 THR 71 2HG2 THR 71 0.563 -11.175 7.529 512 HG23 THR 71 3HG2 THR 71 -0.988 -10.685 6.848 513 H ARG 72 H ARG 72 1.856 -14.513 5.006 514 HA ARG 72 HA ARG 72 4.283 -12.938 5.569 515 HB2 ARG 72 1HB ARG 72 4.553 -15.408 5.752 516 HB3 ARG 72 2HB ARG 72 4.091 -15.551 4.062 517 HG2 ARG 72 1HG ARG 72 6.459 -15.671 4.176 518 HG3 ARG 72 2HG ARG 72 6.041 -14.100 3.489 519 HD2 ARG 72 1HD ARG 72 6.540 -12.975 5.499 520 HD3 ARG 72 2HD ARG 72 6.568 -14.477 6.422 521 HE ARG 72 HE ARG 72 8.569 -14.861 4.685 522 HH11 ARG 72 1HH1 ARG 72 7.768 -12.167 6.740 523 HH12 ARG 72 2HH1 ARG 72 9.413 -11.665 6.944 524 HH21 ARG 72 1HH2 ARG 72 10.740 -14.210 4.947 525 HH22 ARG 72 2HH2 ARG 72 11.103 -12.828 5.924 526 H VAL 73 H VAL 73 4.668 -11.354 4.181 527 HA VAL 73 HA VAL 73 4.180 -11.738 1.340 528 HB VAL 73 HB VAL 73 2.923 -9.448 2.858 529 HG11 VAL 73 1HG1 VAL 73 2.514 -8.377 0.910 530 HG12 VAL 73 2HG1 VAL 73 3.949 -9.258 0.381 531 HG13 VAL 73 3HG1 VAL 73 2.341 -9.876 -0.003 532 HG21 VAL 73 1HG2 VAL 73 1.716 -11.594 3.045 533 HG22 VAL 73 2HG2 VAL 73 0.802 -10.376 2.157 534 HG23 VAL 73 3HG2 VAL 73 1.623 -11.670 1.286 535 H GLY 74 H GLY 74 5.623 -10.672 0.082 536 HA2 GLY 74 1HA GLY 74 7.591 -8.996 1.496 537 HA3 GLY 74 2HA GLY 74 7.907 -9.910 0.029 538 H VAL 75 H VAL 75 6.211 -7.106 1.335 539 HA VAL 75 HA VAL 75 5.659 -6.055 -1.306 540 HB VAL 75 HB VAL 75 5.251 -4.814 1.418 541 HG11 VAL 75 1HG1 VAL 75 4.460 -2.944 0.454 542 HG12 VAL 75 2HG1 VAL 75 5.430 -3.459 -0.928 543 HG13 VAL 75 3HG1 VAL 75 3.706 -3.826 -0.874 544 HG21 VAL 75 1HG2 VAL 75 3.845 -6.865 0.100 545 HG22 VAL 75 2HG2 VAL 75 3.380 -6.002 1.567 546 HG23 VAL 75 3HG2 VAL 75 2.844 -5.416 -0.008 547 H GLN 76 H GLN 76 6.855 -4.622 -2.399 548 HA GLN 76 HA GLN 76 8.901 -3.078 -0.992 549 HB2 GLN 76 1HB GLN 76 9.983 -5.141 -1.849 550 HB3 GLN 76 2HB GLN 76 9.478 -4.701 -3.476 551 HG2 GLN 76 1HG GLN 76 10.953 -2.916 -3.590 552 HG3 GLN 76 2HG GLN 76 11.136 -2.830 -1.838 553 HE21 GLN 76 1HE2 GLN 76 13.405 -2.749 -3.069 554 HE22 GLN 76 2HE2 GLN 76 14.244 -4.258 -3.045 555 H VAL 77 H VAL 77 9.172 -1.054 -1.766 556 HA VAL 77 HA VAL 77 7.364 -0.183 -3.865 557 HB VAL 77 HB VAL 77 9.227 1.421 -2.108 558 HG11 VAL 77 1HG1 VAL 77 8.204 2.213 -4.497 559 HG12 VAL 77 2HG1 VAL 77 6.942 2.745 -3.384 560 HG13 VAL 77 3HG1 VAL 77 8.602 3.299 -3.167 561 HG21 VAL 77 1HG2 VAL 77 7.622 0.592 -0.655 562 HG22 VAL 77 2HG2 VAL 77 6.923 2.134 -1.153 563 HG23 VAL 77 3HG2 VAL 77 6.349 0.631 -1.876 564 H LEU 78 H LEU 78 8.003 -0.266 -5.911 565 HA LEU 78 HA LEU 78 10.846 0.174 -6.528 566 HB2 LEU 78 1HB LEU 78 9.492 -1.978 -7.183 567 HB3 LEU 78 2HB LEU 78 8.918 -0.959 -8.501 568 HG LEU 78 HG LEU 78 10.857 -2.463 -9.046 569 HD11 LEU 78 1HD1 LEU 78 11.651 -0.985 -10.586 570 HD12 LEU 78 2HD1 LEU 78 11.776 0.335 -9.423 571 HD13 LEU 78 3HD1 LEU 78 10.202 -0.119 -10.075 572 HD21 LEU 78 1HD2 LEU 78 12.801 -0.617 -7.903 573 HD22 LEU 78 2HD2 LEU 78 12.794 -2.381 -7.938 574 HD23 LEU 78 3HD2 LEU 78 11.897 -1.520 -6.686 575 H ASP 79 H ASP 79 11.450 1.854 -7.759 576 HA ASP 79 HA ASP 79 9.371 3.710 -8.631 577 HB2 ASP 79 1HB ASP 79 11.325 5.264 -8.992 578 HB3 ASP 79 2HB ASP 79 11.091 4.738 -7.328 579 H ARG 80 H ARG 80 8.585 3.002 -10.554 580 HA ARG 80 HA ARG 80 10.457 2.256 -12.671 581 HB2 ARG 80 1HB ARG 80 8.360 1.642 -13.915 582 HB3 ARG 80 2HB ARG 80 8.634 0.735 -12.434 583 HG2 ARG 80 1HG ARG 80 7.011 2.081 -11.261 584 HG3 ARG 80 2HG ARG 80 6.793 3.104 -12.682 585 HD2 ARG 80 1HD ARG 80 6.376 0.173 -12.969 586 HD3 ARG 80 2HD ARG 80 5.141 1.115 -12.134 587 HE ARG 80 HE ARG 80 5.607 2.498 -14.438 588 HH11 ARG 80 1HH1 ARG 80 4.707 -0.778 -13.678 589 HH12 ARG 80 2HH1 ARG 80 3.805 -1.007 -15.140 590 HH21 ARG 80 1HH2 ARG 80 4.423 2.209 -16.365 591 HH22 ARG 80 2HH2 ARG 80 3.644 0.692 -16.668 592 H LYS 81 H LYS 81 8.044 4.687 -11.873 593 HA LYS 81 HA LYS 81 8.647 6.106 -14.374 594 HB2 LYS 81 1HB LYS 81 6.310 5.840 -14.144 595 HB3 LYS 81 2HB LYS 81 6.348 6.263 -12.437 596 HG2 LYS 81 1HG LYS 81 5.446 8.143 -13.449 597 HG3 LYS 81 2HG LYS 81 7.145 8.569 -13.233 598 HD2 LYS 81 1HD LYS 81 6.793 9.219 -15.414 599 HD3 LYS 81 2HD LYS 81 7.393 7.575 -15.640 600 HE2 LYS 81 1HE LYS 81 5.075 6.772 -15.797 601 HE3 LYS 81 2HE LYS 81 4.499 8.428 -15.611 602 HZ1 LYS 81 1HZ LYS 81 5.476 7.101 -17.943 603 HZ2 LYS 81 2HZ LYS 81 6.291 8.557 -17.666 604 HZ3 LYS 81 3HZ LYS 81 4.606 8.546 -17.813 605 H ASP 82 H ASP 82 9.333 8.241 -14.371 606 HA ASP 82 HA ASP 82 10.843 9.036 -12.054 607 HB2 ASP 82 1HB ASP 82 10.412 10.439 -14.700 608 HB3 ASP 82 2HB ASP 82 11.568 10.931 -13.465 609 H GLY 83 H GLY 83 8.204 8.950 -11.334 610 HA2 GLY 83 1HA GLY 83 7.795 11.475 -10.182 611 HA3 GLY 83 2HA GLY 83 6.776 11.358 -11.609 612 H SER 84 H SER 84 6.368 8.476 -11.303 613 HA SER 84 HA SER 84 4.533 8.549 -8.999 614 HB2 SER 84 1HB SER 84 3.656 8.408 -11.475 615 HB3 SER 84 2HB SER 84 4.098 6.707 -11.322 616 HG SER 84 HG SER 84 2.765 6.680 -9.407 617 H PHE 85 H PHE 85 4.312 6.701 -7.724 618 HA PHE 85 HA PHE 85 6.537 4.793 -7.973 619 HB2 PHE 85 1HB PHE 85 5.095 5.962 -5.628 620 HB3 PHE 85 2HB PHE 85 5.813 4.362 -5.472 621 HD1 PHE 85 1HD PHE 85 8.254 4.074 -5.743 622 HD2 PHE 85 2HD PHE 85 6.429 7.918 -5.654 623 HE1 PHE 85 1HE PHE 85 10.444 5.099 -5.288 624 HE2 PHE 85 2HE PHE 85 8.615 8.950 -5.200 625 HZ PHE 85 HZ PHE 85 10.627 7.540 -5.017 626 H ILE 86 H ILE 86 6.176 2.592 -7.806 627 HA ILE 86 HA ILE 86 3.359 1.731 -7.802 628 HB ILE 86 HB ILE 86 4.445 1.717 -10.098 629 HG12 ILE 86 1HG1 ILE 86 3.713 -0.810 -10.414 630 HG13 ILE 86 2HG1 ILE 86 3.138 -0.613 -8.762 631 HG21 ILE 86 1HG2 ILE 86 5.792 -0.818 -9.339 632 HG22 ILE 86 2HG2 ILE 86 6.181 0.331 -10.618 633 HG23 ILE 86 3HG2 ILE 86 6.597 0.700 -8.944 634 HD11 ILE 86 1HD1 ILE 86 1.261 0.019 -9.831 635 HD12 ILE 86 2HD1 ILE 86 2.078 1.582 -9.852 636 HD13 ILE 86 3HD1 ILE 86 2.126 0.542 -11.276 637 H VAL 87 H VAL 87 2.886 0.095 -6.469 638 HA VAL 87 HA VAL 87 4.998 -1.011 -4.824 639 HB VAL 87 HB VAL 87 2.014 -1.485 -4.737 640 HG11 VAL 87 1HG1 VAL 87 2.302 -2.921 -3.041 641 HG12 VAL 87 2HG1 VAL 87 3.950 -3.077 -3.654 642 HG13 VAL 87 3HG1 VAL 87 3.602 -1.967 -2.327 643 HG21 VAL 87 1HG2 VAL 87 3.314 0.006 -2.575 644 HG22 VAL 87 2HG2 VAL 87 3.326 0.826 -4.136 645 HG23 VAL 87 3HG2 VAL 87 1.797 0.319 -3.417 646 H ARG 88 H ARG 88 5.784 -3.042 -4.893 647 HA ARG 88 HA ARG 88 4.519 -4.951 -6.741 648 HB2 ARG 88 1HB ARG 88 7.496 -4.554 -6.402 649 HB3 ARG 88 2HB ARG 88 6.710 -5.686 -7.493 650 HG2 ARG 88 1HG ARG 88 6.527 -2.685 -7.652 651 HG3 ARG 88 2HG ARG 88 7.538 -3.715 -8.667 652 HD2 ARG 88 1HD ARG 88 5.227 -4.912 -9.130 653 HD3 ARG 88 2HD ARG 88 4.588 -3.332 -8.679 654 HE ARG 88 HE ARG 88 5.220 -2.595 -10.733 655 HH11 ARG 88 1HH1 ARG 88 7.254 -5.286 -9.869 656 HH12 ARG 88 2HH1 ARG 88 8.117 -5.284 -11.371 657 HH21 ARG 88 1HH2 ARG 88 6.349 -2.583 -12.715 658 HH22 ARG 88 2HH2 ARG 88 7.603 -3.746 -12.989 659 H TYR 89 H TYR 89 3.933 -6.743 -5.727 660 HA TYR 89 HA TYR 89 5.675 -7.978 -3.771 661 HB2 TYR 89 1HB TYR 89 4.266 -7.887 -1.920 662 HB3 TYR 89 2HB TYR 89 4.088 -6.276 -2.606 663 HD1 TYR 89 2HD TYR 89 2.450 -9.501 -2.034 664 HD2 TYR 89 1HD TYR 89 2.013 -5.597 -3.668 665 HE1 TYR 89 2HE TYR 89 0.015 -9.831 -2.156 666 HE2 TYR 89 1HE TYR 89 -0.423 -5.915 -3.794 667 HH TYR 89 HH TYR 89 -1.966 -8.256 -3.959 668 H ARG 90 H ARG 90 4.943 -10.142 -3.161 669 HA ARG 90 HA ARG 90 3.201 -11.319 -5.226 670 HB2 ARG 90 1HB ARG 90 5.729 -11.880 -5.184 671 HB3 ARG 90 2HB ARG 90 5.337 -12.852 -3.772 672 HG2 ARG 90 1HG ARG 90 3.763 -14.159 -5.098 673 HG3 ARG 90 2HG ARG 90 4.136 -13.175 -6.514 674 HD2 ARG 90 1HD ARG 90 6.372 -14.507 -5.069 675 HD3 ARG 90 2HD ARG 90 5.327 -15.490 -6.093 676 HE ARG 90 HE ARG 90 7.235 -13.496 -6.950 677 HH11 ARG 90 1HH1 ARG 90 4.459 -15.418 -7.798 678 HH12 ARG 90 2HH1 ARG 90 4.737 -15.303 -9.504 679 HH21 ARG 90 1HH2 ARG 90 7.612 -13.337 -9.194 680 HH22 ARG 90 2HH2 ARG 90 6.531 -14.120 -10.297 681 H MET 91 H MET 91 2.088 -13.327 -4.571 682 HA MET 91 HA MET 91 1.368 -13.261 -1.714 683 HB2 MET 91 1HB MET 91 -0.356 -12.530 -3.526 684 HB3 MET 91 2HB MET 91 -0.503 -14.254 -3.838 685 HG2 MET 91 1HG MET 91 -2.227 -13.483 -2.315 686 HG3 MET 91 2HG MET 91 -1.151 -14.635 -1.529 687 HE1 MET 91 1HE MET 91 -2.449 -13.778 0.607 688 HE2 MET 91 2HE MET 91 -0.777 -14.159 1.019 689 HE3 MET 91 3HE MET 91 -1.532 -12.697 1.657 690 H TYR 92 H TYR 92 1.524 -15.360 -4.581 691 HA TYR 92 HA TYR 92 1.702 -17.633 -4.779 692 HB2 TYR 92 1HB TYR 92 3.581 -18.560 -3.286 693 HB3 TYR 92 2HB TYR 92 3.992 -17.269 -4.409 694 HD1 TYR 92 1HD TYR 92 3.296 -18.038 -0.861 695 HD2 TYR 92 2HD TYR 92 4.788 -15.171 -3.629 696 HE1 TYR 92 1HE TYR 92 4.189 -16.709 1.006 697 HE2 TYR 92 2HE TYR 92 5.686 -13.835 -1.769 698 HH TYR 92 HH TYR 92 6.174 -13.854 0.445 699 H ALA 93 H ALA 93 -0.455 -16.832 -3.106 700 HA ALA 93 HA ALA 93 -0.942 -19.320 -1.764 701 HB1 ALA 93 1HB ALA 93 -1.124 -18.595 0.457 702 HB2 ALA 93 2HB ALA 93 0.396 -17.907 -0.114 703 HB3 ALA 93 3HB ALA 93 -1.043 -16.893 0.000 704 H SER 94 H SER 94 -3.057 -19.786 -1.834 705 HA SER 94 HA SER 94 -4.858 -17.993 -3.115 706 HB2 SER 94 1HB SER 94 -5.010 -20.435 -3.401 707 HB3 SER 94 2HB SER 94 -5.428 -20.608 -1.697 708 HG SER 94 HG SER 94 -7.405 -20.293 -2.303 709 H TYR 95 H TYR 95 -5.311 -16.178 -1.973 710 HA TYR 95 HA TYR 95 -6.340 -16.502 0.764 711 HB2 TYR 95 1HB TYR 95 -5.686 -14.278 1.221 712 HB3 TYR 95 2HB TYR 95 -4.348 -14.970 0.312 713 HD1 TYR 95 2HD TYR 95 -4.077 -14.381 -2.106 714 HD2 TYR 95 1HD TYR 95 -6.891 -12.407 0.401 715 HE1 TYR 95 2HE TYR 95 -4.222 -12.540 -3.730 716 HE2 TYR 95 1HE TYR 95 -7.045 -10.560 -1.216 717 HH TYR 95 HH TYR 95 -6.472 -9.845 -3.255 718 H LYS 96 H LYS 96 -8.392 -15.983 1.239 719 HA LYS 96 HA LYS 96 -10.234 -15.490 -0.892 720 HB2 LYS 96 1HB LYS 96 -10.498 -15.787 2.087 721 HB3 LYS 96 2HB LYS 96 -11.870 -15.288 1.105 722 HG2 LYS 96 1HG LYS 96 -12.201 -17.545 1.182 723 HG3 LYS 96 2HG LYS 96 -11.247 -17.411 -0.297 724 HD2 LYS 96 1HD LYS 96 -10.232 -19.166 0.860 725 HD3 LYS 96 2HD LYS 96 -9.210 -17.776 1.233 726 HE2 LYS 96 1HE LYS 96 -9.495 -18.752 3.310 727 HE3 LYS 96 2HE LYS 96 -10.754 -17.517 3.301 728 HZ1 LYS 96 1HZ LYS 96 -11.798 -19.434 4.078 729 HZ2 LYS 96 2HZ LYS 96 -11.046 -20.436 2.942 730 HZ3 LYS 96 3HZ LYS 96 -12.256 -19.362 2.451 731 H ASN 97 H ASN 97 -9.024 -13.598 1.850 732 HA ASN 97 HA ASN 97 -9.709 -11.154 0.423 733 HB2 ASN 97 1HB ASN 97 -10.624 -10.254 2.689 734 HB3 ASN 97 2HB ASN 97 -11.676 -11.230 1.668 735 HD21 ASN 97 1HD2 ASN 97 -12.917 -11.755 3.498 736 HD22 ASN 97 2HD2 ASN 97 -12.375 -12.934 4.639 737 H LEU 98 H LEU 98 -8.675 -9.246 1.339 738 HA LEU 98 HA LEU 98 -6.599 -9.679 3.319 739 HB2 LEU 98 1HB LEU 98 -6.082 -9.314 0.422 740 HB3 LEU 98 2HB LEU 98 -5.038 -8.447 1.547 741 HG LEU 98 HG LEU 98 -5.454 -11.433 1.589 742 HD11 LEU 98 1HD1 LEU 98 -3.394 -11.676 0.438 743 HD12 LEU 98 2HD1 LEU 98 -3.077 -9.943 0.500 744 HD13 LEU 98 3HD1 LEU 98 -4.382 -10.564 -0.511 745 HD21 LEU 98 1HD2 LEU 98 -4.614 -9.931 3.618 746 HD22 LEU 98 2HD2 LEU 98 -3.086 -10.080 2.750 747 HD23 LEU 98 3HD2 LEU 98 -3.943 -11.527 3.282 748 H LYS 99 H LYS 99 -5.549 -7.672 3.978 749 HA LYS 99 HA LYS 99 -7.234 -5.316 3.427 750 HB2 LYS 99 1HB LYS 99 -7.557 -6.106 5.707 751 HB3 LYS 99 2HB LYS 99 -5.821 -6.085 5.988 752 HG2 LYS 99 1HG LYS 99 -5.946 -3.586 5.480 753 HG3 LYS 99 2HG LYS 99 -7.693 -3.766 5.665 754 HD2 LYS 99 1HD LYS 99 -5.701 -4.630 7.754 755 HD3 LYS 99 2HD LYS 99 -6.463 -3.037 7.734 756 HE2 LYS 99 1HE LYS 99 -7.916 -4.130 9.110 757 HE3 LYS 99 2HE LYS 99 -8.663 -4.495 7.556 758 HZ1 LYS 99 1HZ LYS 99 -7.996 -6.657 7.636 759 HZ2 LYS 99 2HZ LYS 99 -8.172 -6.369 9.293 760 HZ3 LYS 99 3HZ LYS 99 -6.635 -6.339 8.588 761 H VAL 100 H VAL 100 -6.254 -3.483 2.790 762 HA VAL 100 HA VAL 100 -3.312 -3.505 2.656 763 HB VAL 100 HB VAL 100 -5.279 -1.985 0.938 764 HG11 VAL 100 1HG1 VAL 100 -3.596 -0.766 0.123 765 HG12 VAL 100 2HG1 VAL 100 -2.677 -1.293 1.534 766 HG13 VAL 100 3HG1 VAL 100 -2.530 -2.165 0.007 767 HG21 VAL 100 1HG2 VAL 100 -3.719 -4.508 0.544 768 HG22 VAL 100 2HG2 VAL 100 -5.412 -4.172 0.181 769 HG23 VAL 100 3HG2 VAL 100 -4.141 -3.496 -0.838 770 H GLU 101 H GLU 101 -2.150 -1.869 3.524 771 HA GLU 101 HA GLU 101 -3.594 0.463 4.573 772 HB2 GLU 101 1HB GLU 101 -1.938 -1.501 6.076 773 HB3 GLU 101 2HB GLU 101 -1.784 0.194 6.517 774 HG2 GLU 101 1HG GLU 101 -4.299 0.233 6.736 775 HG3 GLU 101 2HG GLU 101 -4.243 -1.524 6.604 776 H ILE 102 H ILE 102 -2.686 2.311 3.972 777 HA ILE 102 HA ILE 102 0.148 2.276 3.158 778 HB ILE 102 HB ILE 102 -1.908 4.225 2.135 779 HG12 ILE 102 1HG1 ILE 102 -1.591 2.675 0.009 780 HG13 ILE 102 2HG1 ILE 102 -1.256 1.453 1.232 781 HG21 ILE 102 1HG2 ILE 102 0.518 3.431 0.626 782 HG22 ILE 102 2HG2 ILE 102 -0.297 4.991 0.723 783 HG23 ILE 102 3HG2 ILE 102 0.736 4.453 2.047 784 HD11 ILE 102 1HD1 ILE 102 -3.408 1.659 2.162 785 HD12 ILE 102 2HD1 ILE 102 -3.736 3.141 1.263 786 HD13 ILE 102 3HD1 ILE 102 -3.630 1.599 0.414 787 H LYS 103 H LYS 103 1.464 3.443 4.376 788 HA LYS 103 HA LYS 103 0.408 5.832 5.730 789 HB2 LYS 103 1HB LYS 103 2.277 3.791 6.949 790 HB3 LYS 103 2HB LYS 103 1.762 5.290 7.710 791 HG2 LYS 103 1HG LYS 103 -0.419 4.526 8.016 792 HG3 LYS 103 2HG LYS 103 -0.228 3.230 6.833 793 HD2 LYS 103 1HD LYS 103 0.937 1.886 8.295 794 HD3 LYS 103 2HD LYS 103 1.511 3.250 9.257 795 HE2 LYS 103 1HE LYS 103 -1.404 2.581 9.165 796 HE3 LYS 103 2HE LYS 103 -0.319 1.677 10.220 797 HZ1 LYS 103 1HZ LYS 103 -0.537 3.305 11.684 798 HZ2 LYS 103 2HZ LYS 103 -1.429 4.250 10.601 799 HZ3 LYS 103 3HZ LYS 103 0.259 4.351 10.618 800 H PHE 104 H PHE 104 2.092 7.379 6.365 801 HA PHE 104 HA PHE 104 4.650 7.121 5.001 802 HB2 PHE 104 1HB PHE 104 3.543 8.153 3.221 803 HB3 PHE 104 2HB PHE 104 2.544 9.136 4.286 804 HD1 PHE 104 1HD PHE 104 6.233 8.671 4.232 805 HD2 PHE 104 2HD PHE 104 2.955 11.329 3.675 806 HE1 PHE 104 1HE PHE 104 7.803 10.546 3.965 807 HE2 PHE 104 2HE PHE 104 4.520 13.208 3.406 808 HZ PHE 104 HZ PHE 104 6.948 12.818 3.550 809 H GLN 105 H GLN 105 6.183 7.762 6.352 810 HA GLN 105 HA GLN 105 7.194 8.660 8.191 811 HB2 GLN 105 1HB GLN 105 7.192 11.040 8.287 812 HB3 GLN 105 2HB GLN 105 7.036 10.600 6.591 813 HG2 GLN 105 1HG GLN 105 4.861 11.319 6.460 814 HG3 GLN 105 2HG GLN 105 4.578 11.120 8.188 815 HE21 GLN 105 1HE2 GLN 105 4.660 12.863 9.426 816 HE22 GLN 105 2HE2 GLN 105 5.298 14.400 8.961 817 H GLY 106 H GLY 106 4.613 7.339 8.632 818 HA2 GLY 106 1HA GLY 106 3.479 6.861 10.608 819 HA3 GLY 106 2HA GLY 106 4.175 8.307 11.325 820 H GLN 107 H GLN 107 2.128 7.776 8.459 821 HA GLN 107 HA GLN 107 -0.182 8.936 9.641 822 HB2 GLN 107 1HB GLN 107 -0.198 11.080 8.828 823 HB3 GLN 107 2HB GLN 107 1.527 10.879 9.103 824 HG2 GLN 107 1HG GLN 107 1.559 10.074 6.635 825 HG3 GLN 107 2HG GLN 107 0.012 10.913 6.534 826 HE21 GLN 107 1HE2 GLN 107 3.075 11.288 5.774 827 HE22 GLN 107 2HE2 GLN 107 3.282 12.986 6.016 828 H HIS 108 H HIS 108 -1.955 8.363 8.517 829 HA HIS 108 HA HIS 108 -1.715 6.605 6.315 830 HB2 HIS 108 1HB HIS 108 -4.092 7.993 7.553 831 HB3 HIS 108 2HB HIS 108 -4.241 6.859 6.215 832 HD1 HIS 108 1HD HIS 108 -4.754 4.562 6.942 833 HD2 HIS 108 2HD HIS 108 -2.605 6.640 9.827 834 HE1 HIS 108 1HE HIS 108 -4.527 2.978 8.882 835 HE2 HIS 108 2HE HIS 108 -3.297 4.287 10.647 836 H VAL 109 H VAL 109 -2.340 6.865 4.153 837 HA VAL 109 HA VAL 109 -2.293 9.657 3.218 838 HB VAL 109 HB VAL 109 -1.473 7.152 1.741 839 HG11 VAL 109 1HG1 VAL 109 -2.490 9.271 0.525 840 HG12 VAL 109 2HG1 VAL 109 -0.851 9.883 0.750 841 HG13 VAL 109 3HG1 VAL 109 -1.120 8.387 -0.145 842 HG21 VAL 109 1HG2 VAL 109 0.738 7.712 2.114 843 HG22 VAL 109 2HG2 VAL 109 0.362 9.399 2.463 844 HG23 VAL 109 3HG2 VAL 109 -0.011 8.149 3.650 845 H ALA 110 H ALA 110 -3.769 6.485 2.655 846 HA ALA 110 HA ALA 110 -5.924 7.819 1.155 847 HB1 ALA 110 1HB ALA 110 -5.044 4.935 1.094 848 HB2 ALA 110 2HB ALA 110 -6.413 5.600 0.201 849 HB3 ALA 110 3HB ALA 110 -4.775 6.146 -0.160 850 H LYS 111 H LYS 111 -7.944 6.084 1.299 851 HA LYS 111 HA LYS 111 -8.901 6.438 3.976 852 HB2 LYS 111 1HB LYS 111 -10.037 5.377 1.424 853 HB3 LYS 111 2HB LYS 111 -10.858 5.004 2.934 854 HG2 LYS 111 1HG LYS 111 -11.920 6.920 2.127 855 HG3 LYS 111 2HG LYS 111 -10.828 7.508 3.383 856 HD2 LYS 111 1HD LYS 111 -10.455 9.010 1.659 857 HD3 LYS 111 2HD LYS 111 -9.159 7.835 1.422 858 HE2 LYS 111 1HE LYS 111 -10.597 6.676 -0.242 859 HE3 LYS 111 2HE LYS 111 -11.780 7.971 -0.064 860 HZ1 LYS 111 1HZ LYS 111 -10.617 9.271 -1.414 861 HZ2 LYS 111 2HZ LYS 111 -9.672 7.924 -1.807 862 HZ3 LYS 111 3HZ LYS 111 -9.167 8.985 -0.590 863 H SER 112 H SER 112 -6.693 4.870 4.185 864 HA SER 112 HA SER 112 -7.460 2.083 4.291 865 HB2 SER 112 1HB SER 112 -5.229 1.619 4.566 866 HB3 SER 112 2HB SER 112 -5.084 3.215 3.831 867 HG SER 112 HG SER 112 -4.709 2.432 6.495 868 HA PRO 113 HA PRO 113 -6.370 0.337 5.537 869 HB2 PRO 113 1HB PRO 113 -7.888 -1.631 6.628 870 HB3 PRO 113 2HB PRO 113 -6.418 -1.017 7.393 871 HG2 PRO 113 1HG PRO 113 -9.277 -0.344 7.971 872 HG3 PRO 113 2HG PRO 113 -7.949 -0.651 9.105 873 HD2 PRO 113 1HD PRO 113 -8.786 1.848 8.483 874 HD3 PRO 113 2HD PRO 113 -7.095 1.477 8.876 875 H TYR 114 H TYR 114 -7.245 -1.040 3.904 876 HA TYR 114 HA TYR 114 -9.889 -0.159 2.965 877 HB2 TYR 114 1HB TYR 114 -7.364 -0.915 1.589 878 HB3 TYR 114 2HB TYR 114 -8.873 -1.338 0.787 879 HD1 TYR 114 1HD TYR 114 -10.556 0.528 0.352 880 HD2 TYR 114 2HD TYR 114 -6.518 1.268 1.469 881 HE1 TYR 114 1HE TYR 114 -10.742 2.822 -0.516 882 HE2 TYR 114 2HE TYR 114 -6.693 3.564 0.606 883 HH TYR 114 HH TYR 114 -8.248 4.718 -1.249 884 H ILE 115 H ILE 115 -11.397 -1.558 3.626 885 HA ILE 115 HA ILE 115 -10.828 -4.393 3.827 886 HB ILE 115 HB ILE 115 -13.495 -3.054 4.247 887 HG12 ILE 115 1HG1 ILE 115 -11.793 -1.948 5.640 888 HG13 ILE 115 2HG1 ILE 115 -12.916 -2.885 6.620 889 HG21 ILE 115 1HG2 ILE 115 -14.181 -5.127 4.642 890 HG22 ILE 115 2HG2 ILE 115 -12.549 -5.747 4.402 891 HG23 ILE 115 3HG2 ILE 115 -13.062 -5.211 6.002 892 HD11 ILE 115 1HD1 ILE 115 -10.776 -4.594 5.981 893 HD12 ILE 115 2HD1 ILE 115 -10.079 -3.053 6.483 894 HD13 ILE 115 3HD1 ILE 115 -11.196 -3.906 7.549 895 H LEU 116 H LEU 116 -11.192 -5.827 2.274 896 HA LEU 116 HA LEU 116 -13.149 -5.169 0.174 897 HB2 LEU 116 1HB LEU 116 -10.532 -6.613 -0.221 898 HB3 LEU 116 2HB LEU 116 -11.718 -6.234 -1.469 899 HG LEU 116 HG LEU 116 -11.210 -3.754 -0.636 900 HD11 LEU 116 1HD1 LEU 116 -9.533 -4.889 1.023 901 HD12 LEU 116 2HD1 LEU 116 -9.112 -3.382 0.210 902 HD13 LEU 116 3HD1 LEU 116 -8.476 -4.914 -0.389 903 HD21 LEU 116 1HD2 LEU 116 -9.765 -5.475 -2.618 904 HD22 LEU 116 2HD2 LEU 116 -9.348 -3.773 -2.419 905 HD23 LEU 116 3HD2 LEU 116 -10.982 -4.230 -2.901 906 H LYS 117 H LYS 117 -14.780 -6.551 0.242 907 HA LYS 117 HA LYS 117 -14.276 -9.400 0.393 908 HB2 LYS 117 1HB LYS 117 -15.803 -9.792 2.256 909 HB3 LYS 117 2HB LYS 117 -14.465 -8.767 2.760 910 HG2 LYS 117 1HG LYS 117 -15.922 -6.794 2.512 911 HG3 LYS 117 2HG LYS 117 -17.262 -7.866 2.098 912 HD2 LYS 117 1HD LYS 117 -16.610 -9.027 4.364 913 HD3 LYS 117 2HD LYS 117 -15.889 -7.455 4.716 914 HE2 LYS 117 1HE LYS 117 -18.008 -6.357 4.366 915 HE3 LYS 117 2HE LYS 117 -18.747 -7.871 3.847 916 HZ1 LYS 117 1HZ LYS 117 -18.505 -6.854 6.449 917 HZ2 LYS 117 2HZ LYS 117 -17.613 -8.289 6.363 918 HZ3 LYS 117 3HZ LYS 117 -19.253 -8.286 5.946 919 H GLY 118 H GLY 118 -16.426 -10.628 0.209 920 HA2 GLY 118 1HA GLY 118 -18.709 -10.608 -0.544 921 HA3 GLY 118 2HA GLY 118 -18.393 -9.070 -1.333 922 H SER 119 H SER 119 -19.376 -11.825 -2.234 923 HA SER 119 HA SER 119 -17.356 -12.539 -4.202 924 HB2 SER 119 1HB SER 119 -20.023 -13.738 -3.452 925 HB3 SER 119 2HB SER 119 -19.082 -14.307 -4.831 926 HG SER 119 HG SER 119 -18.596 -14.577 -2.104 927 H GLY 120 H GLY 120 -17.466 -10.507 -5.360 928 HA2 GLY 120 1HA GLY 120 -18.113 -9.251 -7.169 929 HA3 GLY 120 2HA GLY 120 -19.036 -10.655 -7.686 930 HA PRO 121 HA PRO 121 -21.847 -7.720 -4.993 931 HB2 PRO 121 1HB PRO 121 -21.109 -5.111 -5.123 932 HB3 PRO 121 2HB PRO 121 -20.552 -6.205 -3.851 933 HG2 PRO 121 1HG PRO 121 -19.147 -5.328 -6.345 934 HG3 PRO 121 2HG PRO 121 -18.506 -5.495 -4.700 935 HD2 PRO 121 1HD PRO 121 -18.101 -7.363 -6.618 936 HD3 PRO 121 2HD PRO 121 -18.247 -7.777 -4.897 937 H SER 122 H SER 122 -20.548 -7.440 -8.097 938 HA SER 122 HA SER 122 -21.863 -5.487 -9.428 939 HB2 SER 122 1HB SER 122 -21.424 -8.354 -10.277 940 HB3 SER 122 2HB SER 122 -22.024 -7.109 -11.373 941 HG SER 122 HG SER 122 -19.515 -7.261 -10.082 942 H SER 123 H SER 123 -23.890 -5.012 -10.100 943 HA SER 123 HA SER 123 -26.030 -6.890 -9.334 944 HB2 SER 123 1HB SER 123 -25.901 -3.888 -9.089 945 HB3 SER 123 2HB SER 123 -27.438 -4.751 -9.091 946 HG SER 123 HG SER 123 -25.293 -5.050 -7.261 947 H GLY 124 H GLY 124 -28.188 -6.027 -10.491 948 HA2 GLY 124 1HA GLY 124 -29.303 -5.584 -12.471 949 HA3 GLY 124 2HA GLY 124 -27.781 -5.050 -13.168
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