NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
475249 | 2l12 | 17072 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HT1 GLY 1 1.278 -0.399 0.184 2 H2 GLY 1 HT2 GLY 1 -0.128 0.530 0.022 3 H3 GLY 1 HT3 GLY 1 1.264 1.208 0.698 4 HA2 GLY 1 HA1 GLY 1 0.993 0.273 -2.100 5 HA3 GLY 1 HA2 GLY 1 0.925 1.955 -1.590 6 H GLU 2 HN GLU 2 2.850 3.034 -1.044 7 HA GLU 2 HA GLU 2 5.322 1.745 -1.949 8 HB2 GLU 2 HB2 GLU 2 6.318 3.986 -1.986 9 HB3 GLU 2 HB1 GLU 2 4.821 3.959 -2.904 10 HG2 GLU 2 HG2 GLU 2 4.944 4.973 -0.054 11 HG3 GLU 2 HG1 GLU 2 5.304 6.008 -1.430 12 H GLN 3 HN GLN 3 7.269 1.800 -0.699 13 HA GLN 3 HA GLN 3 6.821 1.140 2.084 14 HB2 GLN 3 HB2 GLN 3 8.340 -0.164 0.520 15 HB3 GLN 3 HB1 GLN 3 9.444 1.201 0.539 16 HG2 GLN 3 HG2 GLN 3 10.318 -0.384 2.064 17 HG3 GLN 3 HG1 GLN 3 9.625 0.904 3.045 18 HE21 GLN 3 HE21 GLN 3 10.201 -1.834 3.806 19 HE22 GLN 3 HE22 GLN 3 8.716 -2.547 4.315 20 H VAL 4 HN VAL 4 6.367 3.019 3.214 21 HA VAL 4 HA VAL 4 8.522 5.046 3.437 22 HB VAL 4 HB VAL 4 6.813 6.776 3.942 23 HG11 VAL 4 HG11 VAL 4 6.012 7.148 1.647 24 HG12 VAL 4 HG12 VAL 4 6.400 5.476 1.232 25 HG13 VAL 4 HG13 VAL 4 7.691 6.602 1.662 26 HG21 VAL 4 HG21 VAL 4 4.973 5.358 4.761 27 HG22 VAL 4 HG22 VAL 4 4.729 4.704 3.140 28 HG23 VAL 4 HG23 VAL 4 4.411 6.413 3.460 29 H PHE 5 HN PHE 5 9.070 5.715 5.462 30 HA PHE 5 HA PHE 5 7.575 4.776 7.826 31 HB2 PHE 5 HB2 PHE 5 10.568 4.391 7.340 32 HB3 PHE 5 HB1 PHE 5 9.866 4.345 8.950 33 HD1 PHE 5 HD1 PHE 5 9.643 2.674 5.592 34 HD2 PHE 5 HD2 PHE 5 9.019 2.309 9.806 35 HE1 PHE 5 HE1 PHE 5 9.136 0.286 5.320 36 HE2 PHE 5 HE2 PHE 5 8.516 -0.076 9.513 37 HZ PHE 5 HZ PHE 5 8.568 -1.090 7.276 38 H ALA 6 HN ALA 6 8.196 5.983 9.785 39 HA ALA 6 HA ALA 6 8.281 8.813 9.357 40 HB1 ALA 6 HB1 ALA 6 8.211 8.974 11.820 41 HB2 ALA 6 HB2 ALA 6 8.505 7.238 11.949 42 HB3 ALA 6 HB3 ALA 6 7.006 7.828 11.228 43 H VAL 7 HN VAL 7 10.136 9.720 8.665 44 HA VAL 7 HA VAL 7 12.739 8.639 9.419 45 HB VAL 7 HB VAL 7 13.693 9.824 7.636 46 HG11 VAL 7 HG11 VAL 7 12.126 8.168 6.740 47 HG12 VAL 7 HG12 VAL 7 12.284 9.534 5.644 48 HG13 VAL 7 HG13 VAL 7 10.851 9.380 6.664 49 HG21 VAL 7 HG21 VAL 7 11.378 11.773 7.657 50 HG22 VAL 7 HG22 VAL 7 12.708 11.793 6.499 51 HG23 VAL 7 HG23 VAL 7 13.021 12.082 8.210 52 H GLU 8 HN GLU 8 14.360 9.881 10.396 53 HA GLU 8 HA GLU 8 13.610 12.011 12.206 54 HB2 GLU 8 HB2 GLU 8 15.258 10.185 12.771 55 HB3 GLU 8 HB1 GLU 8 16.352 10.835 11.563 56 HG2 GLU 8 HG2 GLU 8 16.537 12.927 12.860 57 HG3 GLU 8 HG1 GLU 8 15.423 12.274 14.063 58 H SER 9 HN SER 9 16.441 11.860 10.053 59 HA SER 9 HA SER 9 15.766 14.124 8.430 60 HB2 SER 9 HB2 SER 9 17.994 14.455 10.502 61 HB3 SER 9 HB1 SER 9 17.663 15.584 9.185 62 HG SER 9 HG SER 9 15.459 15.676 10.201 63 H ILE 10 HN ILE 10 18.077 14.775 7.309 64 HA ILE 10 HA ILE 10 19.181 12.356 6.164 65 HB ILE 10 HB ILE 10 20.061 15.242 5.730 66 HG12 ILE 10 HG12 ILE 10 17.724 15.137 5.113 67 HG13 ILE 10 HG11 ILE 10 18.666 15.163 3.631 68 HG21 ILE 10 HG21 ILE 10 20.563 12.784 4.021 69 HG22 ILE 10 HG22 ILE 10 21.751 13.631 5.017 70 HG23 ILE 10 HG23 ILE 10 21.038 14.437 3.619 71 HD11 ILE 10 HD11 ILE 10 17.263 12.806 4.867 72 HD12 ILE 10 HD12 ILE 10 18.331 12.696 3.471 73 HD13 ILE 10 HD13 ILE 10 16.855 13.651 3.375 74 H ARG 11 HN ARG 11 21.069 11.432 6.689 75 HA ARG 11 HA ARG 11 22.623 12.404 8.962 76 HB2 ARG 11 HB2 ARG 11 22.026 9.760 7.864 77 HB3 ARG 11 HB1 ARG 11 23.760 9.948 8.026 78 HG2 ARG 11 HG2 ARG 11 21.748 10.374 10.256 79 HG3 ARG 11 HG1 ARG 11 22.698 8.905 10.009 80 HD2 ARG 11 HD2 ARG 11 24.766 10.115 10.436 81 HD3 ARG 11 HD1 ARG 11 23.898 11.653 10.499 82 HE ARG 11 HE ARG 11 22.917 11.009 12.565 83 HH11 ARG 11 HH11 ARG 11 25.365 8.722 11.495 84 HH12 ARG 11 HH12 ARG 11 25.631 8.074 13.078 85 HH21 ARG 11 HH21 ARG 11 23.255 10.137 14.632 86 HH22 ARG 11 HH22 ARG 11 24.425 8.881 14.862 87 H LYS 12 HN LYS 12 23.191 11.255 5.625 88 HA LYS 12 HA LYS 12 25.536 13.051 5.345 89 HB2 LYS 12 HB2 LYS 12 25.392 10.159 4.350 90 HB3 LYS 12 HB1 LYS 12 26.727 11.278 4.087 91 HG2 LYS 12 HG2 LYS 12 27.256 11.262 6.479 92 HG3 LYS 12 HG1 LYS 12 25.850 10.235 6.799 93 HD2 LYS 12 HD2 LYS 12 26.873 8.453 5.372 94 HD3 LYS 12 HD1 LYS 12 28.292 9.483 5.147 95 HE2 LYS 12 HE2 LYS 12 27.311 8.386 7.808 96 HE3 LYS 12 HE1 LYS 12 28.674 7.767 6.876 97 HZ1 LYS 12 HZ1 LYS 12 29.727 9.970 7.122 98 HZ2 LYS 12 HZ2 LYS 12 29.490 9.179 8.595 99 HZ3 LYS 12 HZ3 LYS 12 28.460 10.441 8.145 100 H LYS 13 HN LYS 13 25.930 13.678 3.129 101 HA LYS 13 HA LYS 13 23.780 13.154 1.171 102 HB2 LYS 13 HB2 LYS 13 23.205 15.284 2.263 103 HB3 LYS 13 HB1 LYS 13 24.833 15.897 1.997 104 HG2 LYS 13 HG2 LYS 13 24.416 15.845 -0.467 105 HG3 LYS 13 HG1 LYS 13 22.761 15.311 -0.149 106 HD2 LYS 13 HD2 LYS 13 22.342 17.426 1.105 107 HD3 LYS 13 HD1 LYS 13 23.994 17.948 0.755 108 HE2 LYS 13 HE2 LYS 13 23.467 17.891 -1.678 109 HE3 LYS 13 HE1 LYS 13 21.804 17.434 -1.290 110 HZ1 LYS 13 HZ1 LYS 13 23.146 19.937 -0.432 111 HZ2 LYS 13 HZ2 LYS 13 21.539 19.510 -0.116 112 HZ3 LYS 13 HZ3 LYS 13 22.039 19.802 -1.705 113 H ARG 14 HN ARG 14 24.536 12.910 -0.874 114 HA ARG 14 HA ARG 14 27.097 13.851 -1.808 115 HB2 ARG 14 HB2 ARG 14 28.156 11.656 -2.096 116 HB3 ARG 14 HB1 ARG 14 27.771 11.904 -0.396 117 HG2 ARG 14 HG2 ARG 14 25.651 10.518 -0.803 118 HG3 ARG 14 HG1 ARG 14 26.338 10.114 -2.378 119 HD2 ARG 14 HD2 ARG 14 27.707 9.582 0.281 120 HD3 ARG 14 HD1 ARG 14 26.754 8.396 -0.611 121 HE ARG 14 HE ARG 14 28.396 8.518 -2.406 122 HH11 ARG 14 HH11 ARG 14 29.431 9.865 0.668 123 HH12 ARG 14 HH12 ARG 14 31.103 9.518 0.380 124 HH21 ARG 14 HH21 ARG 14 30.585 8.108 -2.777 125 HH22 ARG 14 HH22 ARG 14 31.762 8.547 -1.588 126 H VAL 15 HN VAL 15 27.541 12.820 -4.063 127 HA VAL 15 HA VAL 15 24.998 12.238 -5.491 128 HB VAL 15 HB VAL 15 27.432 13.558 -6.784 129 HG11 VAL 15 HG11 VAL 15 24.534 13.339 -7.705 130 HG12 VAL 15 HG12 VAL 15 25.897 12.413 -8.340 131 HG13 VAL 15 HG13 VAL 15 25.830 14.160 -8.579 132 HG21 VAL 15 HG21 VAL 15 24.998 14.992 -5.650 133 HG22 VAL 15 HG22 VAL 15 26.245 15.739 -6.651 134 HG23 VAL 15 HG23 VAL 15 26.656 15.111 -5.053 135 H ARG 16 HN ARG 16 24.975 10.227 -6.242 136 HA ARG 16 HA ARG 16 27.491 8.762 -6.809 137 HB2 ARG 16 HB2 ARG 16 26.275 7.903 -4.802 138 HB3 ARG 16 HB1 ARG 16 24.835 7.655 -5.786 139 HG2 ARG 16 HG2 ARG 16 26.210 6.048 -7.205 140 HG3 ARG 16 HG1 ARG 16 27.486 6.190 -5.992 141 HD2 ARG 16 HD2 ARG 16 25.800 5.406 -4.276 142 HD3 ARG 16 HD1 ARG 16 24.687 5.085 -5.614 143 HE ARG 16 HE ARG 16 27.184 3.809 -6.074 144 HH11 ARG 16 HH11 ARG 16 24.282 3.462 -4.126 145 HH12 ARG 16 HH12 ARG 16 24.517 1.767 -3.873 146 HH21 ARG 16 HH21 ARG 16 27.492 1.597 -5.721 147 HH22 ARG 16 HH22 ARG 16 26.358 0.709 -4.760 148 H LYS 17 HN LYS 17 27.663 8.777 -8.992 149 HA LYS 17 HA LYS 17 27.362 8.159 -11.143 150 HB2 LYS 17 HB2 LYS 17 26.955 5.975 -9.986 151 HB3 LYS 17 HB1 LYS 17 25.232 6.307 -9.986 152 HG2 LYS 17 HG2 LYS 17 25.095 6.068 -12.372 153 HG3 LYS 17 HG1 LYS 17 26.852 6.057 -12.541 154 HD2 LYS 17 HD2 LYS 17 25.779 3.786 -12.774 155 HD3 LYS 17 HD1 LYS 17 27.013 3.873 -11.517 156 HE2 LYS 17 HE2 LYS 17 25.025 2.578 -10.802 157 HE3 LYS 17 HE1 LYS 17 25.292 3.990 -9.784 158 HZ1 LYS 17 HZ1 LYS 17 23.284 3.732 -11.950 159 HZ2 LYS 17 HZ2 LYS 17 23.563 5.139 -11.057 160 HZ3 LYS 17 HZ3 LYS 17 22.981 3.752 -10.291 161 H GLY 18 HN GLY 18 25.934 10.456 -10.167 162 HA2 GLY 18 HA2 GLY 18 24.796 12.101 -11.372 163 HA3 GLY 18 HA1 GLY 18 24.096 10.875 -12.409 164 H LYS 19 HN LYS 19 23.823 10.087 -9.128 165 HA LYS 19 HA LYS 19 21.094 11.230 -8.872 166 HB2 LYS 19 HB2 LYS 19 22.058 8.440 -8.085 167 HB3 LYS 19 HB1 LYS 19 20.509 9.118 -7.586 168 HG2 LYS 19 HG2 LYS 19 21.352 8.692 -10.466 169 HG3 LYS 19 HG1 LYS 19 20.360 7.557 -9.543 170 HD2 LYS 19 HD2 LYS 19 19.629 10.436 -10.251 171 HD3 LYS 19 HD1 LYS 19 18.978 8.987 -11.018 172 HE2 LYS 19 HE2 LYS 19 17.895 8.328 -8.920 173 HE3 LYS 19 HE1 LYS 19 18.619 9.706 -8.085 174 HZ1 LYS 19 HZ1 LYS 19 16.363 9.615 -9.922 175 HZ2 LYS 19 HZ2 LYS 19 17.378 10.963 -10.039 176 HZ3 LYS 19 HZ3 LYS 19 16.634 10.599 -8.568 177 H VAL 20 HN VAL 20 21.201 12.746 -7.307 178 HA VAL 20 HA VAL 20 23.164 12.754 -5.208 179 HB VAL 20 HB VAL 20 20.583 14.391 -5.273 180 HG11 VAL 20 HG11 VAL 20 23.198 14.910 -3.805 181 HG12 VAL 20 HG12 VAL 20 21.679 14.389 -3.070 182 HG13 VAL 20 HG13 VAL 20 21.795 15.984 -3.817 183 HG21 VAL 20 HG21 VAL 20 21.874 16.217 -6.335 184 HG22 VAL 20 HG22 VAL 20 21.810 14.787 -7.365 185 HG23 VAL 20 HG23 VAL 20 23.277 15.151 -6.461 186 H GLU 21 HN GLU 21 23.097 11.275 -3.627 187 HA GLU 21 HA GLU 21 20.503 10.255 -2.640 188 HB2 GLU 21 HB2 GLU 21 21.713 8.226 -1.919 189 HB3 GLU 21 HB1 GLU 21 21.849 8.496 -3.650 190 HG2 GLU 21 HG2 GLU 21 24.116 9.245 -3.443 191 HG3 GLU 21 HG1 GLU 21 23.998 9.259 -1.679 192 H TYR 22 HN TYR 22 20.283 9.807 -0.460 193 HA TYR 22 HA TYR 22 21.829 11.507 1.400 194 HB2 TYR 22 HB2 TYR 22 18.781 11.296 1.207 195 HB3 TYR 22 HB1 TYR 22 19.673 12.237 2.393 196 HD1 TYR 22 HD2 TYR 22 18.779 12.029 -1.219 197 HD2 TYR 22 HD1 TYR 22 20.458 14.459 1.866 198 HE1 TYR 22 HE2 TYR 22 18.704 13.976 -2.710 199 HE2 TYR 22 HE1 TYR 22 20.370 16.406 0.375 200 HH TYR 22 HH TYR 22 18.629 16.430 -2.542 201 H LEU 23 HN LEU 23 22.466 10.244 3.130 202 HA LEU 23 HA LEU 23 21.349 7.644 3.647 203 HB2 LEU 23 HB2 LEU 23 23.747 8.280 4.124 204 HB3 LEU 23 HB1 LEU 23 23.180 9.323 5.416 205 HG LEU 23 HG LEU 23 22.263 7.307 6.598 206 HD11 LEU 23 HD11 LEU 23 21.893 5.847 4.684 207 HD12 LEU 23 HD12 LEU 23 22.907 5.061 5.889 208 HD13 LEU 23 HD13 LEU 23 23.635 5.718 4.418 209 HD21 LEU 23 HD21 LEU 23 24.489 8.173 7.187 210 HD22 LEU 23 HD22 LEU 23 25.229 7.126 5.973 211 HD23 LEU 23 HD23 LEU 23 24.414 6.419 7.372 212 H VAL 24 HN VAL 24 19.130 8.141 3.898 213 HA VAL 24 HA VAL 24 18.133 10.040 5.770 214 HB VAL 24 HB VAL 24 16.709 7.713 4.413 215 HG11 VAL 24 HG11 VAL 24 15.451 8.358 6.416 216 HG12 VAL 24 HG12 VAL 24 14.585 8.881 4.971 217 HG13 VAL 24 HG13 VAL 24 15.491 10.055 5.929 218 HG21 VAL 24 HG21 VAL 24 17.603 9.360 2.810 219 HG22 VAL 24 HG22 VAL 24 16.775 10.662 3.670 220 HG23 VAL 24 HG23 VAL 24 15.838 9.411 2.849 221 H LYS 25 HN LYS 25 18.452 9.837 7.833 222 HA LYS 25 HA LYS 25 18.696 7.351 9.261 223 HB2 LYS 25 HB2 LYS 25 19.822 9.686 9.758 224 HB3 LYS 25 HB1 LYS 25 18.309 10.099 10.536 225 HG2 LYS 25 HG2 LYS 25 20.261 7.906 11.339 226 HG3 LYS 25 HG1 LYS 25 19.940 9.415 12.197 227 HD2 LYS 25 HD2 LYS 25 17.567 8.582 12.563 228 HD3 LYS 25 HD1 LYS 25 18.074 7.032 11.887 229 HE2 LYS 25 HE2 LYS 25 18.126 6.939 14.324 230 HE3 LYS 25 HE1 LYS 25 19.766 6.816 13.690 231 HZ1 LYS 25 HZ1 LYS 25 18.546 9.318 14.747 232 HZ2 LYS 25 HZ2 LYS 25 20.149 9.113 14.250 233 HZ3 LYS 25 HZ3 LYS 25 19.581 8.304 15.620 234 H TRP 26 HN TRP 26 16.932 6.159 9.705 235 HA TRP 26 HA TRP 26 14.236 7.298 9.908 236 HB2 TRP 26 HB2 TRP 26 15.076 4.367 10.204 237 HB3 TRP 26 HB1 TRP 26 13.470 4.984 9.821 238 HD1 TRP 26 HD1 TRP 26 16.898 4.351 8.240 239 HE1 TRP 26 HE1 TRP 26 16.701 4.504 5.677 240 HE3 TRP 26 HE3 TRP 26 12.060 5.911 7.881 241 HZ2 TRP 26 HZ2 TRP 26 14.770 5.186 3.774 242 HZ3 TRP 26 HZ3 TRP 26 11.104 6.270 5.642 243 HH2 TRP 26 HH2 TRP 26 12.432 5.913 3.624 244 H LYS 27 HN LYS 27 13.314 7.738 11.945 245 HA LYS 27 HA LYS 27 15.289 8.021 13.993 246 HB2 LYS 27 HB2 LYS 27 13.441 9.676 13.394 247 HB3 LYS 27 HB1 LYS 27 12.343 8.654 14.314 248 HG2 LYS 27 HG2 LYS 27 13.497 9.087 16.362 249 HG3 LYS 27 HG1 LYS 27 14.889 9.765 15.515 250 HD2 LYS 27 HD2 LYS 27 13.435 11.677 14.777 251 HD3 LYS 27 HD1 LYS 27 12.134 11.025 15.781 252 HE2 LYS 27 HE2 LYS 27 13.313 12.810 16.976 253 HE3 LYS 27 HE1 LYS 27 13.593 11.271 17.786 254 HZ1 LYS 27 HZ1 LYS 27 15.470 12.676 15.966 255 HZ2 LYS 27 HZ2 LYS 27 15.750 11.154 16.639 256 HZ3 LYS 27 HZ3 LYS 27 15.627 12.511 17.640 257 H GLY 28 HN GLY 28 12.407 5.970 13.718 258 HA2 GLY 28 HA2 GLY 28 12.565 4.861 16.370 259 HA3 GLY 28 HA1 GLY 28 11.600 4.259 15.037 260 H TRP 29 HN TRP 29 14.415 4.370 13.605 261 HA TRP 29 HA TRP 29 15.204 1.602 14.288 262 HB2 TRP 29 HB2 TRP 29 15.488 3.194 11.684 263 HB3 TRP 29 HB1 TRP 29 16.067 1.545 11.924 264 HD1 TRP 29 HD1 TRP 29 12.672 3.484 11.909 265 HE1 TRP 29 HE1 TRP 29 10.822 1.852 11.182 266 HE3 TRP 29 HE3 TRP 29 15.458 -0.794 11.521 267 HZ2 TRP 29 HZ2 TRP 29 10.570 -0.871 10.514 268 HZ3 TRP 29 HZ3 TRP 29 14.334 -2.867 10.818 269 HH2 TRP 29 HH2 TRP 29 11.939 -2.908 10.325 270 HA PRO 30 HA PRO 30 19.182 3.248 15.608 271 HB2 PRO 30 HB2 PRO 30 20.850 1.122 15.091 272 HB3 PRO 30 HB1 PRO 30 19.701 1.135 16.435 273 HG2 PRO 30 HG2 PRO 30 19.422 -0.117 13.711 274 HG3 PRO 30 HG1 PRO 30 19.025 -0.809 15.298 275 HD2 PRO 30 HD2 PRO 30 17.118 0.237 13.678 276 HD3 PRO 30 HD1 PRO 30 17.008 0.365 15.448 277 HA PRO 31 HA PRO 31 21.076 5.179 12.076 278 HB2 PRO 31 HB2 PRO 31 23.761 5.379 12.745 279 HB3 PRO 31 HB1 PRO 31 22.494 6.399 13.440 280 HG2 PRO 31 HG2 PRO 31 23.736 3.889 14.562 281 HG3 PRO 31 HG1 PRO 31 23.404 5.429 15.383 282 HD2 PRO 31 HD2 PRO 31 21.752 3.334 15.691 283 HD3 PRO 31 HD1 PRO 31 21.096 4.983 15.563 284 H LYS 32 HN LYS 32 22.265 2.019 12.949 285 HA LYS 32 HA LYS 32 23.771 1.484 10.569 286 HB2 LYS 32 HB2 LYS 32 23.584 -0.916 11.266 287 HB3 LYS 32 HB1 LYS 32 24.178 0.143 12.539 288 HG2 LYS 32 HG2 LYS 32 21.928 0.147 13.579 289 HG3 LYS 32 HG1 LYS 32 21.346 -0.936 12.316 290 HD2 LYS 32 HD2 LYS 32 23.663 -1.698 14.137 291 HD3 LYS 32 HD1 LYS 32 21.987 -1.963 14.607 292 HE2 LYS 32 HE2 LYS 32 22.876 -4.017 13.699 293 HE3 LYS 32 HE1 LYS 32 21.675 -3.385 12.580 294 HZ1 LYS 32 HZ1 LYS 32 24.620 -3.120 12.267 295 HZ2 LYS 32 HZ2 LYS 32 23.446 -2.588 11.170 296 HZ3 LYS 32 HZ3 LYS 32 23.639 -4.237 11.462 297 H TYR 33 HN TYR 33 20.345 1.232 11.387 298 HA TYR 33 HA TYR 33 19.648 -0.077 8.859 299 HB2 TYR 33 HB2 TYR 33 18.117 0.625 11.377 300 HB3 TYR 33 HB1 TYR 33 17.213 0.361 9.891 301 HD1 TYR 33 HD1 TYR 33 19.450 -1.273 12.374 302 HD2 TYR 33 HD2 TYR 33 16.935 -1.867 8.976 303 HE1 TYR 33 HE1 TYR 33 19.542 -3.700 12.735 304 HE2 TYR 33 HE2 TYR 33 17.024 -4.296 9.335 305 HH TYR 33 HH TYR 33 18.544 -5.954 10.424 306 H SER 34 HN SER 34 20.560 2.962 9.458 307 HA SER 34 HA SER 34 18.644 4.457 7.915 308 HB2 SER 34 HB2 SER 34 21.560 5.074 8.542 309 HB3 SER 34 HB1 SER 34 20.365 6.225 7.930 310 HG SER 34 HG SER 34 19.693 4.836 10.249 311 H THR 35 HN THR 35 18.607 4.731 5.681 312 HA THR 35 HA THR 35 20.552 3.158 4.070 313 HB THR 35 HB THR 35 18.476 2.723 2.532 314 HG1 THR 35 HG1 THR 35 16.956 4.037 3.479 315 HG21 THR 35 HG21 THR 35 19.539 0.915 3.853 316 HG22 THR 35 HG22 THR 35 17.782 0.733 3.802 317 HG23 THR 35 HG23 THR 35 18.561 1.379 5.248 318 H TRP 36 HN TRP 36 20.388 3.801 1.625 319 HA TRP 36 HA TRP 36 20.734 6.723 1.509 320 HB2 TRP 36 HB2 TRP 36 21.748 4.519 -0.337 321 HB3 TRP 36 HB1 TRP 36 22.011 6.240 -0.609 322 HD1 TRP 36 HD1 TRP 36 23.313 3.311 1.461 323 HE1 TRP 36 HE1 TRP 36 25.420 4.060 2.723 324 HE3 TRP 36 HE3 TRP 36 23.099 8.351 0.541 325 HZ2 TRP 36 HZ2 TRP 36 26.811 6.442 3.274 326 HZ3 TRP 36 HZ3 TRP 36 24.860 9.794 1.485 327 HH2 TRP 36 HH2 TRP 36 26.680 8.856 2.825 328 H GLU 37 HN GLU 37 18.660 7.439 1.180 329 HA GLU 37 HA GLU 37 17.171 6.609 -1.222 330 HB2 GLU 37 HB2 GLU 37 16.480 8.371 1.150 331 HB3 GLU 37 HB1 GLU 37 15.466 8.324 -0.285 332 HG2 GLU 37 HG2 GLU 37 14.597 6.906 1.507 333 HG3 GLU 37 HG1 GLU 37 14.987 5.992 0.053 334 HA PRO 38 HA PRO 38 19.006 10.242 -3.304 335 HB2 PRO 38 HB2 PRO 38 17.737 9.936 -5.710 336 HB3 PRO 38 HB1 PRO 38 19.134 8.960 -5.235 337 HG2 PRO 38 HG2 PRO 38 16.197 8.267 -5.078 338 HG3 PRO 38 HG1 PRO 38 17.543 7.278 -5.680 339 HD2 PRO 38 HD2 PRO 38 16.530 6.939 -3.186 340 HD3 PRO 38 HD1 PRO 38 18.263 6.709 -3.528 341 H GLU 39 HN GLU 39 18.102 12.197 -4.385 342 HA GLU 39 HA GLU 39 16.023 13.494 -3.060 343 HB2 GLU 39 HB2 GLU 39 16.073 15.032 -5.247 344 HB3 GLU 39 HB1 GLU 39 17.401 15.039 -4.102 345 HG2 GLU 39 HG2 GLU 39 18.126 15.038 -6.487 346 HG3 GLU 39 HG1 GLU 39 18.776 13.697 -5.551 347 H GLU 40 HN GLU 40 15.944 11.422 -5.782 348 HA GLU 40 HA GLU 40 13.444 11.795 -6.929 349 HB2 GLU 40 HB2 GLU 40 15.279 10.359 -7.793 350 HB3 GLU 40 HB1 GLU 40 15.034 9.238 -6.460 351 HG2 GLU 40 HG2 GLU 40 12.742 8.752 -7.378 352 HG3 GLU 40 HG1 GLU 40 13.137 9.764 -8.770 353 H HIS 41 HN HIS 41 14.382 10.135 -3.979 354 HA HIS 41 HA HIS 41 11.695 9.034 -3.482 355 HB2 HIS 41 HB2 HIS 41 14.413 8.444 -2.222 356 HB3 HIS 41 HB1 HIS 41 12.901 7.758 -1.632 357 HD1 HIS 41 HD1 HIS 41 13.472 5.334 -2.205 358 HD2 HIS 41 HD2 HIS 41 13.729 7.872 -5.485 359 HE1 HIS 41 HE1 HIS 41 13.736 3.828 -4.205 360 HE2 HIS 41 HE2 HIS 41 13.899 5.387 -6.180 361 H ILE 42 HN ILE 42 13.803 11.598 -2.458 362 HA ILE 42 HA ILE 42 12.728 12.037 0.169 363 HB ILE 42 HB ILE 42 14.169 14.009 -1.667 364 HG12 ILE 42 HG12 ILE 42 15.604 12.087 -1.159 365 HG13 ILE 42 HG11 ILE 42 16.203 13.515 -0.334 366 HG21 ILE 42 HG21 ILE 42 13.657 14.231 1.321 367 HG22 ILE 42 HG22 ILE 42 12.905 15.208 0.059 368 HG23 ILE 42 HG23 ILE 42 14.637 15.338 0.358 369 HD11 ILE 42 HD11 ILE 42 16.394 11.563 1.057 370 HD12 ILE 42 HD12 ILE 42 14.666 11.242 0.919 371 HD13 ILE 42 HD13 ILE 42 15.234 12.687 1.763 372 H LEU 43 HN LEU 43 10.676 12.658 0.549 373 HA LEU 43 HA LEU 43 9.000 13.838 -1.519 374 HB2 LEU 43 HB2 LEU 43 8.281 13.242 1.385 375 HB3 LEU 43 HB1 LEU 43 7.162 13.528 0.055 376 HG LEU 43 HG LEU 43 8.915 11.089 0.515 377 HD11 LEU 43 HD11 LEU 43 6.799 9.858 0.592 378 HD12 LEU 43 HD12 LEU 43 5.894 11.356 0.356 379 HD13 LEU 43 HD13 LEU 43 6.850 11.121 1.822 380 HD21 LEU 43 HD21 LEU 43 7.265 11.749 -1.938 381 HD22 LEU 43 HD22 LEU 43 8.008 10.190 -1.588 382 HD23 LEU 43 HD23 LEU 43 9.020 11.598 -1.838 383 H ASP 44 HN ASP 44 10.264 14.697 1.668 384 HA ASP 44 HA ASP 44 8.768 17.213 1.717 385 HB2 ASP 44 HB2 ASP 44 8.728 15.505 3.615 386 HB3 ASP 44 HB1 ASP 44 10.407 15.918 3.935 387 HA PRO 45 HA PRO 45 12.561 19.482 0.663 388 HB2 PRO 45 HB2 PRO 45 11.722 22.024 1.232 389 HB3 PRO 45 HB1 PRO 45 11.169 21.139 -0.196 390 HG2 PRO 45 HG2 PRO 45 9.787 21.477 2.472 391 HG3 PRO 45 HG1 PRO 45 9.111 21.655 0.839 392 HD2 PRO 45 HD2 PRO 45 8.760 19.393 2.286 393 HD3 PRO 45 HD1 PRO 45 8.942 19.345 0.515 394 H ARG 46 HN ARG 46 10.937 20.004 3.767 395 HA ARG 46 HA ARG 46 13.080 21.364 5.111 396 HB2 ARG 46 HB2 ARG 46 10.637 19.926 6.241 397 HB3 ARG 46 HB1 ARG 46 11.671 21.030 7.144 398 HG2 ARG 46 HG2 ARG 46 10.891 22.925 5.968 399 HG3 ARG 46 HG1 ARG 46 10.245 21.953 4.642 400 HD2 ARG 46 HD2 ARG 46 9.119 21.901 7.465 401 HD3 ARG 46 HD1 ARG 46 8.507 22.939 6.173 402 HE ARG 46 HE ARG 46 8.607 20.130 5.468 403 HH11 ARG 46 HH11 ARG 46 6.607 22.556 7.068 404 HH12 ARG 46 HH12 ARG 46 5.119 21.768 6.646 405 HH21 ARG 46 HH21 ARG 46 6.641 19.142 4.912 406 HH22 ARG 46 HH22 ARG 46 5.141 19.825 5.447 407 H LEU 47 HN LEU 47 12.369 18.050 4.467 408 HA LEU 47 HA LEU 47 13.784 16.687 6.464 409 HB2 LEU 47 HB2 LEU 47 12.327 15.552 4.889 410 HB3 LEU 47 HB1 LEU 47 13.312 16.056 3.532 411 HG LEU 47 HG LEU 47 15.079 14.510 4.133 412 HD11 LEU 47 HD11 LEU 47 14.920 12.984 6.051 413 HD12 LEU 47 HD12 LEU 47 13.485 13.844 6.615 414 HD13 LEU 47 HD13 LEU 47 15.044 14.671 6.544 415 HD21 LEU 47 HD21 LEU 47 13.208 13.589 2.819 416 HD22 LEU 47 HD22 LEU 47 12.390 13.101 4.304 417 HD23 LEU 47 HD23 LEU 47 13.927 12.357 3.857 418 H VAL 48 HN VAL 48 14.960 17.953 3.333 419 HA VAL 48 HA VAL 48 17.752 17.329 3.905 420 HB VAL 48 HB VAL 48 16.511 18.827 1.552 421 HG11 VAL 48 HG11 VAL 48 19.340 17.741 1.854 422 HG12 VAL 48 HG12 VAL 48 18.882 19.446 1.813 423 HG13 VAL 48 HG13 VAL 48 18.668 18.439 0.379 424 HG21 VAL 48 HG21 VAL 48 15.740 16.486 1.664 425 HG22 VAL 48 HG22 VAL 48 17.414 15.927 1.740 426 HG23 VAL 48 HG23 VAL 48 16.817 16.723 0.282 427 H MET 49 HN MET 49 15.636 20.143 3.779 428 HA MET 49 HA MET 49 17.598 22.182 3.919 429 HB2 MET 49 HB2 MET 49 14.614 22.153 4.476 430 HB3 MET 49 HB1 MET 49 15.572 23.612 4.712 431 HG2 MET 49 HG2 MET 49 16.242 23.521 2.324 432 HG3 MET 49 HG1 MET 49 15.185 22.117 2.112 433 HE1 MET 49 HE1 MET 49 13.249 25.091 0.330 434 HE2 MET 49 HE2 MET 49 13.954 23.491 0.101 435 HE3 MET 49 HE3 MET 49 14.998 24.881 0.404 436 H ALA 50 HN ALA 50 15.951 20.361 6.456 437 HA ALA 50 HA ALA 50 16.742 21.911 8.705 438 HB1 ALA 50 HB1 ALA 50 16.275 19.877 10.034 439 HB2 ALA 50 HB2 ALA 50 16.204 18.918 8.552 440 HB3 ALA 50 HB3 ALA 50 14.994 20.165 8.854 441 H TYR 51 HN TYR 51 18.188 19.150 7.040 442 HA TYR 51 HA TYR 51 20.415 18.652 8.674 443 HB2 TYR 51 HB2 TYR 51 19.702 16.986 7.109 444 HB3 TYR 51 HB1 TYR 51 19.777 18.106 5.758 445 HD1 TYR 51 HD2 TYR 51 22.090 16.595 8.323 446 HD2 TYR 51 HD1 TYR 51 21.555 17.863 4.283 447 HE1 TYR 51 HE2 TYR 51 24.330 15.749 7.759 448 HE2 TYR 51 HE1 TYR 51 23.782 17.020 3.713 449 HH TYR 51 HH TYR 51 25.881 16.490 4.795 450 H GLU 52 HN GLU 52 19.996 20.912 5.970 451 HA GLU 52 HA GLU 52 22.827 21.712 6.053 452 HB2 GLU 52 HB2 GLU 52 20.679 22.450 4.026 453 HB3 GLU 52 HB1 GLU 52 22.397 22.833 3.918 454 HG2 GLU 52 HG2 GLU 52 22.872 20.363 3.899 455 HG3 GLU 52 HG1 GLU 52 21.134 20.082 3.799 456 H GLU 53 HN GLU 53 20.014 22.690 7.516 457 HA GLU 53 HA GLU 53 19.312 24.472 8.699 458 HB2 GLU 53 HB2 GLU 53 22.153 25.423 8.240 459 HB3 GLU 53 HB1 GLU 53 20.989 26.436 9.088 460 HG2 GLU 53 HG2 GLU 53 21.811 23.640 9.926 461 HG3 GLU 53 HG1 GLU 53 22.453 25.133 10.607 462 H LYS 54 HN LYS 54 19.218 24.349 5.657 463 HA LYS 54 HA LYS 54 18.538 27.106 4.977 464 HB2 LYS 54 HB2 LYS 54 18.606 24.530 3.367 465 HB3 LYS 54 HB1 LYS 54 17.740 25.934 2.756 466 HG2 LYS 54 HG2 LYS 54 19.897 26.002 1.758 467 HG3 LYS 54 HG1 LYS 54 19.859 27.272 2.983 468 HD2 LYS 54 HD2 LYS 54 21.017 25.581 4.541 469 HD3 LYS 54 HD1 LYS 54 21.274 24.590 3.103 470 HE2 LYS 54 HE2 LYS 54 22.333 27.389 3.606 471 HE3 LYS 54 HE1 LYS 54 23.268 25.895 3.548 472 HZ1 LYS 54 HZ1 LYS 54 22.643 25.681 1.200 473 HZ2 LYS 54 HZ2 LYS 54 23.512 27.097 1.507 474 HZ3 LYS 54 HZ3 LYS 54 21.837 27.167 1.273 475 H GLU 55 HN GLU 55 17.002 24.822 6.793 476 HA GLU 55 HA GLU 55 14.295 25.231 5.980 477 HB2 GLU 55 HB2 GLU 55 13.663 24.421 8.210 478 HB3 GLU 55 HB1 GLU 55 14.934 23.405 7.544 479 HG2 GLU 55 HG2 GLU 55 16.583 24.341 9.007 480 HG3 GLU 55 HG1 GLU 55 15.501 25.634 9.520 481 H GLU 56 HN GLU 56 16.622 27.078 7.763 482 HA GLU 56 HA GLU 56 14.988 29.165 8.767 483 HB2 GLU 56 HB2 GLU 56 17.293 28.832 9.568 484 HB3 GLU 56 HB1 GLU 56 17.931 29.086 7.946 485 HG2 GLU 56 HG2 GLU 56 17.084 31.458 8.064 486 HG3 GLU 56 HG1 GLU 56 16.635 31.157 9.743 487 H1 ALA 1 HT1 ALA 1 0.252 23.952 11.792 488 H2 ALA 1 HT2 ALA 1 1.599 23.600 10.833 489 H3 ALA 1 HT3 ALA 1 1.784 23.814 12.496 490 HA ALA 1 HA ALA 1 0.545 21.857 12.964 491 HB1 ALA 1 HB1 ALA 1 -0.261 20.392 11.145 492 HB2 ALA 1 HB2 ALA 1 0.274 21.577 9.950 493 HB3 ALA 1 HB3 ALA 1 -1.025 21.983 11.073 494 H ARG 2 HN ARG 2 1.726 19.969 13.292 495 HA ARG 2 HA ARG 2 4.456 19.876 12.174 496 HB2 ARG 2 HB2 ARG 2 4.179 19.813 14.657 497 HB3 ARG 2 HB1 ARG 2 3.223 18.343 14.507 498 HG2 ARG 2 HG2 ARG 2 5.252 17.223 13.487 499 HG3 ARG 2 HG1 ARG 2 6.173 18.682 13.859 500 HD2 ARG 2 HD2 ARG 2 6.571 17.052 15.591 501 HD3 ARG 2 HD1 ARG 2 5.601 18.359 16.279 502 HE ARG 2 HE ARG 2 3.751 16.530 15.473 503 HH11 ARG 2 HH11 ARG 2 6.497 16.374 17.672 504 HH12 ARG 2 HH12 ARG 2 5.848 15.031 18.554 505 HH21 ARG 2 HH21 ARG 2 2.925 14.794 16.645 506 HH22 ARG 2 HH22 ARG 2 3.822 14.148 17.984 507 H THR 3 HN THR 3 4.355 18.836 10.236 508 HA THR 3 HA THR 3 3.061 16.176 10.090 509 HB THR 3 HB THR 3 2.359 17.639 8.263 510 HG1 THR 3 HG1 THR 3 4.183 15.937 6.947 511 HG21 THR 3 HG21 THR 3 5.293 17.921 7.519 512 HG22 THR 3 HG22 THR 3 4.254 19.201 8.148 513 HG23 THR 3 HG23 THR 3 3.926 18.507 6.560 514 H LYS 4 HN LYS 4 4.289 14.345 9.828 515 HA LYS 4 HA LYS 4 7.112 14.474 10.350 516 HB2 LYS 4 HB2 LYS 4 5.392 12.082 9.566 517 HB3 LYS 4 HB1 LYS 4 7.069 11.988 10.105 518 HG2 LYS 4 HG2 LYS 4 6.353 12.993 12.293 519 HG3 LYS 4 HG1 LYS 4 4.676 12.904 11.742 520 HD2 LYS 4 HD2 LYS 4 6.584 10.570 12.198 521 HD3 LYS 4 HD1 LYS 4 5.183 10.995 13.185 522 HE2 LYS 4 HE2 LYS 4 5.124 10.012 10.308 523 HE3 LYS 4 HE1 LYS 4 4.669 9.089 11.738 524 HZ1 LYS 4 HZ1 LYS 4 2.718 9.919 10.638 525 HZ2 LYS 4 HZ2 LYS 4 3.291 11.511 10.699 526 HZ3 LYS 4 HZ3 LYS 4 2.878 10.696 12.123 527 H GLN 5 HN GLN 5 8.451 15.132 8.829 528 HA GLN 5 HA GLN 5 8.374 14.906 6.076 529 HB2 GLN 5 HB2 GLN 5 10.846 15.163 6.120 530 HB3 GLN 5 HB1 GLN 5 10.056 16.296 7.199 531 HG2 GLN 5 HG2 GLN 5 11.389 13.738 8.115 532 HG3 GLN 5 HG1 GLN 5 12.188 15.299 8.073 533 HE21 GLN 5 HE21 GLN 5 11.639 13.479 10.315 534 HE22 GLN 5 HE22 GLN 5 10.769 14.417 11.474 535 H THR 6 HN THR 6 9.242 13.339 4.572 536 HA THR 6 HA THR 6 9.654 10.606 5.540 537 HB THR 6 HB THR 6 7.262 11.240 3.756 538 HG1 THR 6 HG1 THR 6 7.528 11.032 6.536 539 HG21 THR 6 HG21 THR 6 6.594 8.904 4.211 540 HG22 THR 6 HG22 THR 6 8.071 8.661 5.145 541 HG23 THR 6 HG23 THR 6 8.166 8.961 3.406 542 H ALA 7 HN ALA 7 10.445 9.164 4.033 543 HA ALA 7 HA ALA 7 10.852 9.967 1.233 544 HB1 ALA 7 HB1 ALA 7 13.039 8.807 3.015 545 HB2 ALA 7 HB2 ALA 7 12.981 10.458 2.395 546 HB3 ALA 7 HB3 ALA 7 13.175 9.105 1.278 547 H ARG 8 HN ARG 8 10.743 8.183 -0.198 548 HA ARG 8 HA ARG 8 9.787 5.621 0.823 549 HB2 ARG 8 HB2 ARG 8 10.356 6.617 -2.003 550 HB3 ARG 8 HB1 ARG 8 9.985 4.931 -1.682 551 HG2 ARG 8 HG2 ARG 8 7.988 6.015 -2.447 552 HG3 ARG 8 HG1 ARG 8 7.786 5.620 -0.740 553 HD2 ARG 8 HD2 ARG 8 8.324 7.976 -0.166 554 HD3 ARG 8 HD1 ARG 8 8.470 8.348 -1.886 555 HE ARG 8 HE ARG 8 5.997 7.738 -0.404 556 HH11 ARG 8 HH11 ARG 8 7.469 8.714 -3.460 557 HH12 ARG 8 HH12 ARG 8 5.976 9.312 -4.109 558 HH21 ARG 8 HH21 ARG 8 4.066 8.484 -1.284 559 HH22 ARG 8 HH22 ARG 8 4.048 9.180 -2.870 560 H M3L 9 HN M3L 9 11.055 3.779 1.108 561 HA M3L 9 HA M3L 9 13.863 4.082 1.234 562 HB2 M3L 9 HB2 M3L 9 12.200 1.538 1.307 563 HB3 M3L 9 HB1 M3L 9 13.940 1.598 1.622 564 HG2 M3L 9 HG2 M3L 9 13.409 3.327 3.426 565 HG3 M3L 9 HG1 M3L 9 11.712 2.877 3.233 566 HD2 M3L 9 HD2 M3L 9 12.149 0.632 3.993 567 HD3 M3L 9 HD1 M3L 9 13.899 0.876 3.912 568 HE2 M3L 9 HE2 M3L 9 13.588 2.716 5.672 569 HE3 M3L 9 HE1 M3L 9 11.936 2.136 5.862 570 HM11 M3L 9 HH33 M3L 9 12.881 -1.158 7.330 571 HM12 M3L 9 HH31 M3L 9 12.571 -0.892 5.611 572 HM13 M3L 9 HH32 M3L 9 11.522 -0.155 6.822 573 HM21 M3L 9 HH11 M3L 9 13.733 0.716 8.754 574 HM22 M3L 9 HH12 M3L 9 12.382 1.736 8.248 575 HM23 M3L 9 HH13 M3L 9 14.044 2.303 8.040 576 HM31 M3L 9 HH21 M3L 9 15.246 -0.307 7.048 577 HM32 M3L 9 HH22 M3L 9 15.524 1.283 6.327 578 HM33 M3L 9 HH23 M3L 9 14.943 -0.053 5.325 579 H SER 10 HN SER 10 15.545 3.069 0.068 580 HA SER 10 HA SER 10 15.225 3.223 -2.777 581 HB2 SER 10 HB2 SER 10 17.296 3.951 -1.531 582 HB3 SER 10 HB1 SER 10 17.654 2.257 -1.205 583 HG SER 10 HG SER 10 18.719 3.171 -3.079 584 H THR 11 HN THR 11 13.649 1.628 -3.098 585 HA THR 11 HA THR 11 14.417 -1.205 -2.965 586 HB THR 11 HB THR 11 12.181 -0.676 -2.126 587 HG1 THR 11 HG1 THR 11 12.115 -2.626 -3.099 588 HG21 THR 11 HG21 THR 11 11.576 0.520 -4.855 589 HG22 THR 11 HG22 THR 11 11.716 1.413 -3.340 590 HG23 THR 11 HG23 THR 11 10.396 0.262 -3.563 591 H GLY 12 HN GLY 12 14.690 1.410 -5.040 592 HA2 GLY 12 HA2 GLY 12 15.542 1.525 -7.193 593 HA3 GLY 12 HA1 GLY 12 15.325 -0.209 -7.365 594 H GLY 13 HN GLY 13 12.989 -0.941 -7.498 595 HA2 GLY 13 HA2 GLY 13 10.936 -0.942 -8.524 596 HA3 GLY 13 HA1 GLY 13 10.946 0.816 -8.451 597 H LYS 14 HN LYS 14 9.986 0.839 -10.559 598 HA LYS 14 HA LYS 14 11.583 -0.011 -12.844 599 HB2 LYS 14 HB2 LYS 14 8.994 1.611 -12.758 600 HB3 LYS 14 HB1 LYS 14 9.766 0.993 -14.216 601 HG2 LYS 14 HG2 LYS 14 9.411 -1.324 -13.395 602 HG3 LYS 14 HG1 LYS 14 8.583 -0.683 -11.975 603 HD2 LYS 14 HD2 LYS 14 7.662 -0.247 -14.849 604 HD3 LYS 14 HD1 LYS 14 7.058 -1.523 -13.796 605 HE2 LYS 14 HE2 LYS 14 5.425 0.183 -13.679 606 HE3 LYS 14 HE1 LYS 14 6.341 0.346 -12.187 607 HZ1 LYS 14 HZ1 LYS 14 5.859 2.474 -13.219 608 HZ2 LYS 14 HZ2 LYS 14 6.703 2.027 -14.613 609 HZ3 LYS 14 HZ3 LYS 14 7.525 2.207 -13.145 610 H ALA 15 HN ALA 15 13.216 1.167 -13.546 611 HA ALA 15 HA ALA 15 13.192 4.014 -13.838 612 HB1 ALA 15 HB1 ALA 15 13.598 3.913 -11.401 613 HB2 ALA 15 HB2 ALA 15 15.000 4.559 -12.258 614 HB3 ALA 15 HB3 ALA 15 15.017 2.893 -11.679 Start of MODEL 2 1 H1 GLY 1 HT1 GLY 1 9.750 3.985 -5.622 2 H2 GLY 1 HT2 GLY 1 8.067 4.135 -5.558 3 H3 GLY 1 HT3 GLY 1 8.802 2.661 -5.182 4 HA2 GLY 1 HA1 GLY 1 9.821 3.577 -3.243 5 HA3 GLY 1 HA2 GLY 1 9.166 5.156 -3.642 6 H GLU 2 HN GLU 2 8.603 2.186 -2.051 7 HA GLU 2 HA GLU 2 5.693 2.650 -1.762 8 HB2 GLU 2 HB2 GLU 2 7.343 0.139 -1.232 9 HB3 GLU 2 HB1 GLU 2 5.599 0.270 -1.000 10 HG2 GLU 2 HG2 GLU 2 5.233 0.567 -3.362 11 HG3 GLU 2 HG1 GLU 2 6.966 0.690 -3.667 12 H GLN 3 HN GLN 3 8.547 1.685 0.160 13 HA GLN 3 HA GLN 3 7.092 1.733 2.635 14 HB2 GLN 3 HB2 GLN 3 10.045 1.364 2.033 15 HB3 GLN 3 HB1 GLN 3 9.372 1.286 3.653 16 HG2 GLN 3 HG2 GLN 3 9.656 -0.954 2.896 17 HG3 GLN 3 HG1 GLN 3 7.925 -0.622 2.896 18 HE21 GLN 3 HE21 GLN 3 7.460 -2.250 1.369 19 HE22 GLN 3 HE22 GLN 3 7.948 -2.146 -0.282 20 H VAL 4 HN VAL 4 6.379 3.685 3.253 21 HA VAL 4 HA VAL 4 8.259 5.941 3.574 22 HB VAL 4 HB VAL 4 6.204 7.283 4.175 23 HG11 VAL 4 HG11 VAL 4 6.102 5.936 1.442 24 HG12 VAL 4 HG12 VAL 4 7.078 7.341 1.877 25 HG13 VAL 4 HG13 VAL 4 5.318 7.461 1.869 26 HG21 VAL 4 HG21 VAL 4 4.664 4.781 3.348 27 HG22 VAL 4 HG22 VAL 4 3.944 6.361 3.681 28 HG23 VAL 4 HG23 VAL 4 4.740 5.463 4.974 29 H PHE 5 HN PHE 5 9.099 6.398 5.537 30 HA PHE 5 HA PHE 5 7.893 5.244 7.986 31 HB2 PHE 5 HB2 PHE 5 10.782 5.015 7.054 32 HB3 PHE 5 HB1 PHE 5 10.387 4.934 8.765 33 HD1 PHE 5 HD1 PHE 5 9.667 3.282 5.478 34 HD2 PHE 5 HD2 PHE 5 9.702 2.884 9.735 35 HE1 PHE 5 HE1 PHE 5 9.211 0.874 5.269 36 HE2 PHE 5 HE2 PHE 5 9.247 0.479 9.505 37 HZ PHE 5 HZ PHE 5 9.000 -0.525 7.277 38 H ALA 6 HN ALA 6 8.228 6.376 9.866 39 HA ALA 6 HA ALA 6 8.532 9.176 9.847 40 HB1 ALA 6 HB1 ALA 6 8.493 8.995 12.304 41 HB2 ALA 6 HB2 ALA 6 8.736 7.250 12.186 42 HB3 ALA 6 HB3 ALA 6 7.249 7.979 11.575 43 H VAL 7 HN VAL 7 10.364 10.118 9.311 44 HA VAL 7 HA VAL 7 13.006 8.992 9.860 45 HB VAL 7 HB VAL 7 13.866 10.720 8.358 46 HG11 VAL 7 HG11 VAL 7 12.699 10.149 6.258 47 HG12 VAL 7 HG12 VAL 7 11.354 9.474 7.181 48 HG13 VAL 7 HG13 VAL 7 12.950 8.723 7.265 49 HG21 VAL 7 HG21 VAL 7 11.039 11.856 8.306 50 HG22 VAL 7 HG22 VAL 7 12.372 12.401 7.286 51 HG23 VAL 7 HG23 VAL 7 12.459 12.613 9.033 52 H GLU 8 HN GLU 8 14.608 10.113 11.032 53 HA GLU 8 HA GLU 8 13.874 12.365 12.710 54 HB2 GLU 8 HB2 GLU 8 15.498 10.721 13.581 55 HB3 GLU 8 HB1 GLU 8 16.582 11.050 12.236 56 HG2 GLU 8 HG2 GLU 8 17.384 12.190 14.214 57 HG3 GLU 8 HG1 GLU 8 16.868 13.366 13.016 58 H SER 9 HN SER 9 16.587 11.967 10.399 59 HA SER 9 HA SER 9 15.898 14.197 8.738 60 HB2 SER 9 HB2 SER 9 18.231 14.504 10.690 61 HB3 SER 9 HB1 SER 9 17.996 15.547 9.279 62 HG SER 9 HG SER 9 15.726 15.680 10.449 63 H ILE 10 HN ILE 10 18.030 14.711 7.359 64 HA ILE 10 HA ILE 10 18.975 12.272 6.152 65 HB ILE 10 HB ILE 10 19.915 15.145 5.686 66 HG12 ILE 10 HG12 ILE 10 17.520 15.007 5.245 67 HG13 ILE 10 HG11 ILE 10 18.383 15.179 3.726 68 HG21 ILE 10 HG21 ILE 10 21.522 13.506 4.843 69 HG22 ILE 10 HG22 ILE 10 20.738 14.344 3.504 70 HG23 ILE 10 HG23 ILE 10 20.252 12.696 3.920 71 HD11 ILE 10 HD11 ILE 10 16.567 13.631 3.495 72 HD12 ILE 10 HD12 ILE 10 17.171 12.646 4.825 73 HD13 ILE 10 HD13 ILE 10 18.093 12.765 3.321 74 H ARG 11 HN ARG 11 20.534 11.102 7.138 75 HA ARG 11 HA ARG 11 22.329 12.073 9.123 76 HB2 ARG 11 HB2 ARG 11 21.394 9.640 8.660 77 HB3 ARG 11 HB1 ARG 11 22.769 9.494 7.583 78 HG2 ARG 11 HG2 ARG 11 22.921 10.042 10.573 79 HG3 ARG 11 HG1 ARG 11 23.148 8.468 9.811 80 HD2 ARG 11 HD2 ARG 11 25.125 9.387 8.601 81 HD3 ARG 11 HD1 ARG 11 24.906 10.918 9.458 82 HE ARG 11 HE ARG 11 25.142 8.676 11.237 83 HH11 ARG 11 HH11 ARG 11 26.984 11.026 9.413 84 HH12 ARG 11 HH12 ARG 11 28.420 10.810 10.351 85 HH21 ARG 11 HH21 ARG 11 27.020 8.415 12.467 86 HH22 ARG 11 HH22 ARG 11 28.448 9.317 12.076 87 H LYS 12 HN LYS 12 22.845 11.037 5.710 88 HA LYS 12 HA LYS 12 25.045 12.981 5.406 89 HB2 LYS 12 HB2 LYS 12 25.243 10.050 4.561 90 HB3 LYS 12 HB1 LYS 12 26.365 11.311 4.051 91 HG2 LYS 12 HG2 LYS 12 26.967 11.673 6.453 92 HG3 LYS 12 HG1 LYS 12 25.942 10.296 6.878 93 HD2 LYS 12 HD2 LYS 12 27.356 8.782 5.604 94 HD3 LYS 12 HD1 LYS 12 28.298 10.133 4.959 95 HE2 LYS 12 HE2 LYS 12 28.174 9.285 7.875 96 HE3 LYS 12 HE1 LYS 12 29.516 8.995 6.765 97 HZ1 LYS 12 HZ1 LYS 12 30.046 10.883 8.081 98 HZ2 LYS 12 HZ2 LYS 12 28.559 11.622 7.770 99 HZ3 LYS 12 HZ3 LYS 12 29.694 11.458 6.527 100 H LYS 13 HN LYS 13 25.506 13.485 3.157 101 HA LYS 13 HA LYS 13 23.446 12.907 1.184 102 HB2 LYS 13 HB2 LYS 13 22.405 14.774 2.328 103 HB3 LYS 13 HB1 LYS 13 23.903 15.699 2.334 104 HG2 LYS 13 HG2 LYS 13 23.784 16.049 -0.055 105 HG3 LYS 13 HG1 LYS 13 22.427 14.930 -0.209 106 HD2 LYS 13 HD2 LYS 13 20.944 16.441 0.934 107 HD3 LYS 13 HD1 LYS 13 22.279 17.477 1.436 108 HE2 LYS 13 HE2 LYS 13 21.524 17.068 -1.475 109 HE3 LYS 13 HE1 LYS 13 20.857 18.361 -0.477 110 HZ1 LYS 13 HZ1 LYS 13 23.083 19.189 -0.096 111 HZ2 LYS 13 HZ2 LYS 13 22.755 19.114 -1.755 112 HZ3 LYS 13 HZ3 LYS 13 23.746 17.946 -1.037 113 H ARG 14 HN ARG 14 24.219 13.023 -0.833 114 HA ARG 14 HA ARG 14 26.674 14.251 -1.663 115 HB2 ARG 14 HB2 ARG 14 27.798 11.987 -2.204 116 HB3 ARG 14 HB1 ARG 14 27.813 12.486 -0.514 117 HG2 ARG 14 HG2 ARG 14 26.045 10.975 0.053 118 HG3 ARG 14 HG1 ARG 14 25.733 10.595 -1.641 119 HD2 ARG 14 HD2 ARG 14 28.478 10.034 -0.553 120 HD3 ARG 14 HD1 ARG 14 27.154 8.978 -0.062 121 HE ARG 14 HE ARG 14 26.828 9.014 -2.718 122 HH11 ARG 14 HH11 ARG 14 29.784 8.490 -0.875 123 HH12 ARG 14 HH12 ARG 14 30.409 7.347 -2.017 124 HH21 ARG 14 HH21 ARG 14 27.633 7.520 -4.152 125 HH22 ARG 14 HH22 ARG 14 29.203 6.824 -3.898 126 H VAL 15 HN VAL 15 27.288 12.960 -3.903 127 HA VAL 15 HA VAL 15 24.832 12.181 -5.335 128 HB VAL 15 HB VAL 15 25.252 14.593 -5.825 129 HG11 VAL 15 HG11 VAL 15 27.689 14.682 -5.559 130 HG12 VAL 15 HG12 VAL 15 27.210 15.333 -7.128 131 HG13 VAL 15 HG13 VAL 15 27.902 13.712 -7.018 132 HG21 VAL 15 HG21 VAL 15 25.692 12.771 -8.219 133 HG22 VAL 15 HG22 VAL 15 25.168 14.454 -8.304 134 HG23 VAL 15 HG23 VAL 15 24.137 13.248 -7.534 135 H ARG 16 HN ARG 16 25.144 10.473 -6.723 136 HA ARG 16 HA ARG 16 27.838 9.814 -7.668 137 HB2 ARG 16 HB2 ARG 16 27.187 8.384 -5.605 138 HB3 ARG 16 HB1 ARG 16 25.982 7.632 -6.638 139 HG2 ARG 16 HG2 ARG 16 27.953 6.238 -6.564 140 HG3 ARG 16 HG1 ARG 16 27.801 6.913 -8.191 141 HD2 ARG 16 HD2 ARG 16 29.448 8.682 -7.564 142 HD3 ARG 16 HD1 ARG 16 29.644 7.911 -5.987 143 HE ARG 16 HE ARG 16 30.166 6.046 -8.041 144 HH11 ARG 16 HH11 ARG 16 31.622 8.875 -6.534 145 HH12 ARG 16 HH12 ARG 16 33.240 8.389 -6.928 146 HH21 ARG 16 HH21 ARG 16 32.286 5.449 -8.558 147 HH22 ARG 16 HH22 ARG 16 33.610 6.454 -8.071 148 H LYS 17 HN LYS 17 27.858 9.274 -9.746 149 HA LYS 17 HA LYS 17 27.265 9.014 -11.901 150 HB2 LYS 17 HB2 LYS 17 25.036 7.352 -10.677 151 HB3 LYS 17 HB1 LYS 17 25.376 7.415 -12.405 152 HG2 LYS 17 HG2 LYS 17 27.713 6.543 -11.871 153 HG3 LYS 17 HG1 LYS 17 27.159 6.306 -10.211 154 HD2 LYS 17 HD2 LYS 17 27.050 4.214 -11.515 155 HD3 LYS 17 HD1 LYS 17 25.442 4.719 -10.982 156 HE2 LYS 17 HE2 LYS 17 25.005 5.655 -13.246 157 HE3 LYS 17 HE1 LYS 17 26.619 5.155 -13.758 158 HZ1 LYS 17 HZ1 LYS 17 26.022 2.897 -13.515 159 HZ2 LYS 17 HZ2 LYS 17 24.805 3.644 -14.423 160 HZ3 LYS 17 HZ3 LYS 17 24.545 3.283 -12.791 161 H GLY 18 HN GLY 18 26.217 11.318 -10.414 162 HA2 GLY 18 HA2 GLY 18 25.027 13.210 -10.929 163 HA3 GLY 18 HA1 GLY 18 24.464 12.432 -12.399 164 H LYS 19 HN LYS 19 23.954 10.810 -9.370 165 HA LYS 19 HA LYS 19 21.187 11.854 -9.121 166 HB2 LYS 19 HB2 LYS 19 22.125 8.966 -8.744 167 HB3 LYS 19 HB1 LYS 19 20.550 9.565 -8.219 168 HG2 LYS 19 HG2 LYS 19 21.565 9.484 -11.073 169 HG3 LYS 19 HG1 LYS 19 20.379 8.383 -10.359 170 HD2 LYS 19 HD2 LYS 19 18.852 10.342 -9.994 171 HD3 LYS 19 HD1 LYS 19 20.035 11.386 -10.793 172 HE2 LYS 19 HE2 LYS 19 18.308 10.811 -12.391 173 HE3 LYS 19 HE1 LYS 19 19.789 9.977 -12.860 174 HZ1 LYS 19 HZ1 LYS 19 18.927 7.962 -11.832 175 HZ2 LYS 19 HZ2 LYS 19 17.875 8.533 -13.021 176 HZ3 LYS 19 HZ3 LYS 19 17.504 8.765 -11.389 177 H VAL 20 HN VAL 20 20.845 12.797 -7.249 178 HA VAL 20 HA VAL 20 22.922 12.973 -5.272 179 HB VAL 20 HB VAL 20 20.094 14.091 -5.095 180 HG11 VAL 20 HG11 VAL 20 22.647 14.977 -3.692 181 HG12 VAL 20 HG12 VAL 20 21.270 14.165 -2.943 182 HG13 VAL 20 HG13 VAL 20 21.086 15.796 -3.588 183 HG21 VAL 20 HG21 VAL 20 22.541 15.416 -6.329 184 HG22 VAL 20 HG22 VAL 20 20.977 16.192 -6.063 185 HG23 VAL 20 HG23 VAL 20 21.109 14.846 -7.197 186 H GLU 21 HN GLU 21 23.205 11.482 -3.702 187 HA GLU 21 HA GLU 21 21.018 9.679 -2.923 188 HB2 GLU 21 HB2 GLU 21 24.007 9.473 -2.386 189 HB3 GLU 21 HB1 GLU 21 22.800 8.257 -1.961 190 HG2 GLU 21 HG2 GLU 21 22.322 7.923 -4.366 191 HG3 GLU 21 HG1 GLU 21 23.560 9.113 -4.776 192 H TYR 22 HN TYR 22 20.525 9.276 -0.760 193 HA TYR 22 HA TYR 22 21.434 11.227 1.268 194 HB2 TYR 22 HB2 TYR 22 18.543 10.422 0.678 195 HB3 TYR 22 HB1 TYR 22 19.053 11.380 2.063 196 HD1 TYR 22 HD1 TYR 22 18.660 11.409 -1.641 197 HD2 TYR 22 HD2 TYR 22 19.519 13.730 1.835 198 HE1 TYR 22 HE1 TYR 22 18.427 13.473 -2.950 199 HE2 TYR 22 HE2 TYR 22 19.267 15.782 0.530 200 HH TYR 22 HH TYR 22 17.840 15.880 -2.495 201 H LEU 23 HN LEU 23 22.491 9.869 2.680 202 HA LEU 23 HA LEU 23 21.430 7.364 3.630 203 HB2 LEU 23 HB2 LEU 23 23.847 8.051 3.874 204 HB3 LEU 23 HB1 LEU 23 23.352 9.299 5.002 205 HG LEU 23 HG LEU 23 22.496 7.509 6.545 206 HD11 LEU 23 HD11 LEU 23 22.083 5.747 4.915 207 HD12 LEU 23 HD12 LEU 23 23.150 5.186 6.197 208 HD13 LEU 23 HD13 LEU 23 23.816 5.592 4.611 209 HD21 LEU 23 HD21 LEU 23 24.698 6.778 7.352 210 HD22 LEU 23 HD22 LEU 23 24.720 8.480 6.898 211 HD23 LEU 23 HD23 LEU 23 25.438 7.274 5.825 212 H VAL 24 HN VAL 24 19.359 7.541 4.368 213 HA VAL 24 HA VAL 24 18.547 9.855 5.944 214 HB VAL 24 HB VAL 24 16.895 7.575 4.759 215 HG11 VAL 24 HG11 VAL 24 14.900 8.943 5.317 216 HG12 VAL 24 HG12 VAL 24 15.924 10.113 6.153 217 HG13 VAL 24 HG13 VAL 24 15.772 8.470 6.780 218 HG21 VAL 24 HG21 VAL 24 17.889 9.048 3.069 219 HG22 VAL 24 HG22 VAL 24 17.239 10.471 3.893 220 HG23 VAL 24 HG23 VAL 24 16.147 9.300 3.159 221 H LYS 25 HN LYS 25 18.562 9.814 8.059 222 HA LYS 25 HA LYS 25 18.720 7.359 9.596 223 HB2 LYS 25 HB2 LYS 25 20.051 9.323 10.299 224 HB3 LYS 25 HB1 LYS 25 18.584 10.276 10.486 225 HG2 LYS 25 HG2 LYS 25 19.459 9.503 12.656 226 HG3 LYS 25 HG1 LYS 25 17.847 8.855 12.332 227 HD2 LYS 25 HD2 LYS 25 18.865 6.696 11.636 228 HD3 LYS 25 HD1 LYS 25 20.475 7.349 11.961 229 HE2 LYS 25 HE2 LYS 25 18.268 6.889 14.002 230 HE3 LYS 25 HE1 LYS 25 19.738 5.933 13.813 231 HZ1 LYS 25 HZ1 LYS 25 20.067 7.430 15.608 232 HZ2 LYS 25 HZ2 LYS 25 19.531 8.757 14.714 233 HZ3 LYS 25 HZ3 LYS 25 20.999 8.013 14.326 234 H TRP 26 HN TRP 26 16.880 6.270 9.687 235 HA TRP 26 HA TRP 26 14.242 7.468 9.951 236 HB2 TRP 26 HB2 TRP 26 14.915 4.517 10.332 237 HB3 TRP 26 HB1 TRP 26 13.417 5.228 9.740 238 HD1 TRP 26 HD1 TRP 26 16.862 4.081 8.584 239 HE1 TRP 26 HE1 TRP 26 16.970 4.154 6.017 240 HE3 TRP 26 HE3 TRP 26 12.438 6.476 7.619 241 HZ2 TRP 26 HZ2 TRP 26 15.423 5.082 3.881 242 HZ3 TRP 26 HZ3 TRP 26 11.822 6.908 5.273 243 HH2 TRP 26 HH2 TRP 26 13.290 6.222 3.436 244 H LYS 27 HN LYS 27 13.430 8.055 11.971 245 HA LYS 27 HA LYS 27 15.185 7.829 14.218 246 HB2 LYS 27 HB2 LYS 27 13.711 9.818 13.803 247 HB3 LYS 27 HB1 LYS 27 12.315 8.839 14.242 248 HG2 LYS 27 HG2 LYS 27 13.187 8.551 16.517 249 HG3 LYS 27 HG1 LYS 27 14.668 9.402 16.081 250 HD2 LYS 27 HD2 LYS 27 13.246 10.899 17.341 251 HD3 LYS 27 HD1 LYS 27 13.339 11.467 15.673 252 HE2 LYS 27 HE2 LYS 27 11.116 10.486 15.218 253 HE3 LYS 27 HE1 LYS 27 11.027 9.898 16.883 254 HZ1 LYS 27 HZ1 LYS 27 11.159 12.215 17.633 255 HZ2 LYS 27 HZ2 LYS 27 9.812 11.944 16.656 256 HZ3 LYS 27 HZ3 LYS 27 11.160 12.743 16.025 257 H GLY 28 HN GLY 28 12.344 6.035 13.204 258 HA2 GLY 28 HA2 GLY 28 11.836 4.646 15.647 259 HA3 GLY 28 HA1 GLY 28 11.309 4.160 14.046 260 H TRP 29 HN TRP 29 14.258 4.274 13.226 261 HA TRP 29 HA TRP 29 14.888 1.494 14.012 262 HB2 TRP 29 HB2 TRP 29 15.440 3.051 11.438 263 HB3 TRP 29 HB1 TRP 29 16.141 1.471 11.779 264 HD1 TRP 29 HD1 TRP 29 12.437 2.748 12.056 265 HE1 TRP 29 HE1 TRP 29 10.923 1.061 10.853 266 HE3 TRP 29 HE3 TRP 29 16.008 -0.453 10.280 267 HZ2 TRP 29 HZ2 TRP 29 11.190 -1.285 9.323 268 HZ3 TRP 29 HZ3 TRP 29 15.300 -2.382 8.936 269 HH2 TRP 29 HH2 TRP 29 12.937 -2.791 8.465 270 HA PRO 30 HA PRO 30 18.619 3.089 15.985 271 HB2 PRO 30 HB2 PRO 30 20.188 0.796 15.846 272 HB3 PRO 30 HB1 PRO 30 18.917 1.055 17.048 273 HG2 PRO 30 HG2 PRO 30 18.799 -0.480 14.462 274 HG3 PRO 30 HG1 PRO 30 18.161 -0.929 16.059 275 HD2 PRO 30 HD2 PRO 30 16.542 0.051 14.139 276 HD3 PRO 30 HD1 PRO 30 16.290 0.470 15.849 277 HA PRO 31 HA PRO 31 21.265 4.829 12.861 278 HB2 PRO 31 HB2 PRO 31 23.641 3.937 14.511 279 HB3 PRO 31 HB1 PRO 31 23.279 5.531 13.825 280 HG2 PRO 31 HG2 PRO 31 22.850 5.105 16.407 281 HG3 PRO 31 HG1 PRO 31 21.655 6.012 15.453 282 HD2 PRO 31 HD2 PRO 31 21.542 3.155 16.414 283 HD3 PRO 31 HD1 PRO 31 20.247 4.371 16.330 284 H LYS 32 HN LYS 32 22.081 1.529 13.805 285 HA LYS 32 HA LYS 32 23.889 0.915 11.695 286 HB2 LYS 32 HB2 LYS 32 23.553 -1.447 12.335 287 HB3 LYS 32 HB1 LYS 32 23.813 -0.421 13.743 288 HG2 LYS 32 HG2 LYS 32 21.341 -0.421 14.148 289 HG3 LYS 32 HG1 LYS 32 21.152 -1.542 12.792 290 HD2 LYS 32 HD2 LYS 32 22.559 -3.205 13.969 291 HD3 LYS 32 HD1 LYS 32 22.769 -2.086 15.321 292 HE2 LYS 32 HE2 LYS 32 20.321 -2.165 15.736 293 HE3 LYS 32 HE1 LYS 32 20.139 -3.310 14.403 294 HZ1 LYS 32 HZ1 LYS 32 21.680 -3.749 16.904 295 HZ2 LYS 32 HZ2 LYS 32 21.589 -4.841 15.617 296 HZ3 LYS 32 HZ3 LYS 32 20.200 -4.458 16.502 297 H TYR 33 HN TYR 33 20.515 1.368 11.593 298 HA TYR 33 HA TYR 33 20.197 -0.136 9.063 299 HB2 TYR 33 HB2 TYR 33 18.128 0.732 11.124 300 HB3 TYR 33 HB1 TYR 33 17.717 0.008 9.571 301 HD1 TYR 33 HD2 TYR 33 19.891 -2.148 9.474 302 HD2 TYR 33 HD1 TYR 33 17.269 -0.913 12.609 303 HE1 TYR 33 HE2 TYR 33 20.021 -4.392 10.465 304 HE2 TYR 33 HE1 TYR 33 17.393 -3.158 13.602 305 HH TYR 33 HH TYR 33 19.700 -5.489 12.629 306 H SER 34 HN SER 34 21.168 2.794 9.729 307 HA SER 34 HA SER 34 19.411 4.486 8.220 308 HB2 SER 34 HB2 SER 34 21.404 6.006 8.061 309 HB3 SER 34 HB1 SER 34 21.097 5.482 9.718 310 HG SER 34 HG SER 34 22.906 4.059 8.075 311 H THR 35 HN THR 35 19.119 4.490 6.027 312 HA THR 35 HA THR 35 20.923 2.843 4.331 313 HB THR 35 HB THR 35 18.790 2.231 3.035 314 HG1 THR 35 HG1 THR 35 17.484 3.911 4.007 315 HG21 THR 35 HG21 THR 35 18.911 1.281 5.922 316 HG22 THR 35 HG22 THR 35 19.835 0.598 4.584 317 HG23 THR 35 HG23 THR 35 18.075 0.457 4.603 318 H TRP 36 HN TRP 36 20.491 3.305 1.901 319 HA TRP 36 HA TRP 36 20.676 6.231 1.502 320 HB2 TRP 36 HB2 TRP 36 22.087 3.969 -0.001 321 HB3 TRP 36 HB1 TRP 36 22.159 5.666 -0.458 322 HD1 TRP 36 HD1 TRP 36 23.569 3.200 2.121 323 HE1 TRP 36 HE1 TRP 36 25.590 4.299 3.272 324 HE3 TRP 36 HE3 TRP 36 23.104 7.938 0.246 325 HZ2 TRP 36 HZ2 TRP 36 26.833 6.831 3.376 326 HZ3 TRP 36 HZ3 TRP 36 24.743 9.642 0.925 327 HH2 TRP 36 HH2 TRP 36 26.573 9.103 2.461 328 H GLU 37 HN GLU 37 18.984 6.982 0.371 329 HA GLU 37 HA GLU 37 18.090 5.497 -2.036 330 HB2 GLU 37 HB2 GLU 37 16.307 7.317 -0.390 331 HB3 GLU 37 HB1 GLU 37 15.829 6.351 -1.769 332 HG2 GLU 37 HG2 GLU 37 14.907 5.236 0.055 333 HG3 GLU 37 HG1 GLU 37 16.384 4.319 -0.266 334 HA PRO 38 HA PRO 38 19.331 9.351 -3.996 335 HB2 PRO 38 HB2 PRO 38 18.156 9.165 -6.419 336 HB3 PRO 38 HB1 PRO 38 19.452 8.060 -5.942 337 HG2 PRO 38 HG2 PRO 38 16.468 7.606 -5.881 338 HG3 PRO 38 HG1 PRO 38 17.736 6.532 -6.506 339 HD2 PRO 38 HD2 PRO 38 16.642 6.220 -4.017 340 HD3 PRO 38 HD1 PRO 38 18.326 5.773 -4.383 341 H GLU 39 HN GLU 39 18.353 11.199 -5.255 342 HA GLU 39 HA GLU 39 16.842 12.792 -3.634 343 HB2 GLU 39 HB2 GLU 39 16.692 14.298 -5.669 344 HB3 GLU 39 HB1 GLU 39 18.306 13.690 -5.300 345 HG2 GLU 39 HG2 GLU 39 18.042 11.945 -7.042 346 HG3 GLU 39 HG1 GLU 39 16.449 12.581 -7.434 347 H GLU 40 HN GLU 40 15.638 10.639 -6.073 348 HA GLU 40 HA GLU 40 13.124 11.588 -6.711 349 HB2 GLU 40 HB2 GLU 40 14.237 9.681 -7.807 350 HB3 GLU 40 HB1 GLU 40 14.093 8.726 -6.336 351 HG2 GLU 40 HG2 GLU 40 11.566 8.911 -6.624 352 HG3 GLU 40 HG1 GLU 40 11.883 9.597 -8.212 353 H HIS 41 HN HIS 41 14.177 9.987 -3.773 354 HA HIS 41 HA HIS 41 11.557 9.037 -3.005 355 HB2 HIS 41 HB2 HIS 41 12.644 7.664 -1.528 356 HB3 HIS 41 HB1 HIS 41 13.979 7.972 -2.619 357 HD1 HIS 41 HD1 HIS 41 15.812 9.758 -1.690 358 HD2 HIS 41 HD2 HIS 41 13.056 8.356 1.043 359 HE1 HIS 41 HE1 HIS 41 16.816 10.200 0.552 360 HE2 HIS 41 HE2 HIS 41 15.266 9.018 2.125 361 H ILE 42 HN ILE 42 13.320 11.922 -2.465 362 HA ILE 42 HA ILE 42 12.376 12.563 0.180 363 HB ILE 42 HB ILE 42 13.608 14.342 -1.980 364 HG12 ILE 42 HG12 ILE 42 15.130 12.542 -1.129 365 HG13 ILE 42 HG11 ILE 42 15.715 14.156 -0.752 366 HG21 ILE 42 HG21 ILE 42 13.122 15.017 0.947 367 HG22 ILE 42 HG22 ILE 42 12.313 15.741 -0.446 368 HG23 ILE 42 HG23 ILE 42 14.037 16.004 -0.194 369 HD11 ILE 42 HD11 ILE 42 14.330 12.294 1.180 370 HD12 ILE 42 HD12 ILE 42 14.959 13.903 1.554 371 HD13 ILE 42 HD13 ILE 42 16.062 12.611 1.084 372 H LEU 43 HN LEU 43 10.245 13.022 0.586 373 HA LEU 43 HA LEU 43 8.489 13.969 -1.564 374 HB2 LEU 43 HB2 LEU 43 7.771 13.311 1.326 375 HB3 LEU 43 HB1 LEU 43 6.654 13.500 -0.023 376 HG LEU 43 HG LEU 43 8.632 11.228 0.434 377 HD11 LEU 43 HD11 LEU 43 6.648 9.789 0.448 378 HD12 LEU 43 HD12 LEU 43 5.606 11.201 0.243 379 HD13 LEU 43 HD13 LEU 43 6.567 11.016 1.709 380 HD21 LEU 43 HD21 LEU 43 8.687 11.775 -1.918 381 HD22 LEU 43 HD22 LEU 43 6.925 11.716 -2.016 382 HD23 LEU 43 HD23 LEU 43 7.846 10.250 -1.667 383 H ASP 44 HN ASP 44 9.981 15.155 1.373 384 HA ASP 44 HA ASP 44 8.625 17.780 1.119 385 HB2 ASP 44 HB2 ASP 44 7.804 16.736 3.122 386 HB3 ASP 44 HB1 ASP 44 9.411 16.185 3.581 387 HA PRO 45 HA PRO 45 12.828 19.351 0.420 388 HB2 PRO 45 HB2 PRO 45 12.299 22.033 0.741 389 HB3 PRO 45 HB1 PRO 45 11.866 21.131 -0.717 390 HG2 PRO 45 HG2 PRO 45 10.138 21.810 1.670 391 HG3 PRO 45 HG1 PRO 45 9.765 21.988 -0.060 392 HD2 PRO 45 HD2 PRO 45 8.838 19.889 1.329 393 HD3 PRO 45 HD1 PRO 45 9.393 19.683 -0.348 394 H ARG 46 HN ARG 46 10.947 20.257 3.291 395 HA ARG 46 HA ARG 46 13.026 21.637 4.667 396 HB2 ARG 46 HB2 ARG 46 10.574 20.303 5.893 397 HB3 ARG 46 HB1 ARG 46 11.567 21.558 6.631 398 HG2 ARG 46 HG2 ARG 46 10.829 23.142 4.852 399 HG3 ARG 46 HG1 ARG 46 9.794 21.873 4.187 400 HD2 ARG 46 HD2 ARG 46 8.615 21.768 6.412 401 HD3 ARG 46 HD1 ARG 46 9.573 23.160 6.931 402 HE ARG 46 HE ARG 46 8.258 23.798 4.516 403 HH11 ARG 46 HH11 ARG 46 7.538 23.314 7.918 404 HH12 ARG 46 HH12 ARG 46 6.061 24.218 7.856 405 HH21 ARG 46 HH21 ARG 46 6.309 24.972 4.445 406 HH22 ARG 46 HH22 ARG 46 5.361 25.151 5.891 407 H LEU 47 HN LEU 47 12.187 18.250 4.386 408 HA LEU 47 HA LEU 47 13.554 17.096 6.534 409 HB2 LEU 47 HB2 LEU 47 12.142 15.758 5.094 410 HB3 LEU 47 HB1 LEU 47 13.120 16.130 3.686 411 HG LEU 47 HG LEU 47 14.966 14.747 4.550 412 HD11 LEU 47 HD11 LEU 47 14.700 13.338 6.551 413 HD12 LEU 47 HD12 LEU 47 13.178 14.150 6.926 414 HD13 LEU 47 HD13 LEU 47 14.694 15.057 6.947 415 HD21 LEU 47 HD21 LEU 47 13.284 13.668 3.132 416 HD22 LEU 47 HD22 LEU 47 12.329 13.249 4.556 417 HD23 LEU 47 HD23 LEU 47 13.926 12.536 4.324 418 H VAL 48 HN VAL 48 14.794 17.848 3.289 419 HA VAL 48 HA VAL 48 17.515 17.106 3.820 420 HB VAL 48 HB VAL 48 16.349 18.823 1.580 421 HG11 VAL 48 HG11 VAL 48 19.050 17.428 1.719 422 HG12 VAL 48 HG12 VAL 48 18.774 19.170 1.762 423 HG13 VAL 48 HG13 VAL 48 18.398 18.255 0.302 424 HG21 VAL 48 HG21 VAL 48 16.923 15.835 1.631 425 HG22 VAL 48 HG22 VAL 48 16.384 16.751 0.221 426 HG23 VAL 48 HG23 VAL 48 15.326 16.592 1.623 427 H MET 49 HN MET 49 15.776 20.159 3.482 428 HA MET 49 HA MET 49 17.960 21.912 3.648 429 HB2 MET 49 HB2 MET 49 14.981 22.391 4.059 430 HB3 MET 49 HB1 MET 49 16.179 23.690 3.963 431 HG2 MET 49 HG2 MET 49 15.441 21.706 1.799 432 HG3 MET 49 HG1 MET 49 15.086 23.433 1.823 433 HE1 MET 49 HE1 MET 49 16.480 21.856 -0.660 434 HE2 MET 49 HE2 MET 49 17.713 23.033 -1.115 435 HE3 MET 49 HE3 MET 49 16.094 23.578 -0.691 436 H ALA 50 HN ALA 50 15.981 20.476 6.179 437 HA ALA 50 HA ALA 50 16.699 22.153 8.357 438 HB1 ALA 50 HB1 ALA 50 16.002 20.290 9.817 439 HB2 ALA 50 HB2 ALA 50 15.987 19.197 8.427 440 HB3 ALA 50 HB3 ALA 50 14.843 20.537 8.509 441 H TYR 51 HN TYR 51 18.140 19.203 7.060 442 HA TYR 51 HA TYR 51 20.247 19.023 8.982 443 HB2 TYR 51 HB2 TYR 51 19.542 16.989 7.963 444 HB3 TYR 51 HB1 TYR 51 19.667 17.659 6.338 445 HD1 TYR 51 HD2 TYR 51 21.867 16.918 9.322 446 HD2 TYR 51 HD1 TYR 51 21.535 17.090 5.068 447 HE1 TYR 51 HE2 TYR 51 24.142 16.033 9.098 448 HE2 TYR 51 HE1 TYR 51 23.810 16.242 4.846 449 HH TYR 51 HH TYR 51 25.521 14.848 7.470 450 H GLU 52 HN GLU 52 19.957 20.468 5.752 451 HA GLU 52 HA GLU 52 22.742 20.907 5.325 452 HB2 GLU 52 HB2 GLU 52 20.413 22.420 4.072 453 HB3 GLU 52 HB1 GLU 52 22.079 22.377 3.498 454 HG2 GLU 52 HG2 GLU 52 20.255 19.970 3.612 455 HG3 GLU 52 HG1 GLU 52 20.515 20.967 2.182 456 H GLU 53 HN GLU 53 20.184 22.844 6.853 457 HA GLU 53 HA GLU 53 21.851 25.195 7.139 458 HB2 GLU 53 HB2 GLU 53 19.971 26.204 8.318 459 HB3 GLU 53 HB1 GLU 53 19.385 25.390 6.872 460 HG2 GLU 53 HG2 GLU 53 18.676 23.477 8.285 461 HG3 GLU 53 HG1 GLU 53 19.188 24.365 9.713 462 H LYS 54 HN LYS 54 20.820 22.523 9.254 463 HA LYS 54 HA LYS 54 22.639 23.373 11.401 464 HB2 LYS 54 HB2 LYS 54 20.547 21.182 11.178 465 HB3 LYS 54 HB1 LYS 54 21.824 21.018 12.371 466 HG2 LYS 54 HG2 LYS 54 20.175 22.011 13.651 467 HG3 LYS 54 HG1 LYS 54 21.097 23.418 13.139 468 HD2 LYS 54 HD2 LYS 54 18.820 24.031 12.874 469 HD3 LYS 54 HD1 LYS 54 19.396 23.684 11.242 470 HE2 LYS 54 HE2 LYS 54 18.382 21.404 11.415 471 HE3 LYS 54 HE1 LYS 54 17.744 21.832 13.004 472 HZ1 LYS 54 HZ1 LYS 54 16.518 23.654 11.886 473 HZ2 LYS 54 HZ2 LYS 54 16.053 22.106 11.390 474 HZ3 LYS 54 HZ3 LYS 54 17.044 23.050 10.394 475 H GLU 55 HN GLU 55 23.584 20.836 12.219 476 HA GLU 55 HA GLU 55 25.043 19.713 9.945 477 HB2 GLU 55 HB2 GLU 55 27.246 19.902 11.072 478 HB3 GLU 55 HB1 GLU 55 26.566 21.474 10.684 479 HG2 GLU 55 HG2 GLU 55 26.475 20.229 13.461 480 HG3 GLU 55 HG1 GLU 55 27.738 21.323 12.918 481 H GLU 56 HN GLU 56 25.221 17.621 10.088 482 HA GLU 56 HA GLU 56 25.051 15.488 10.673 483 HB2 GLU 56 HB2 GLU 56 27.179 16.149 11.872 484 HB3 GLU 56 HB1 GLU 56 26.241 16.275 13.352 485 HG2 GLU 56 HG2 GLU 56 27.379 14.134 13.307 486 HG3 GLU 56 HG1 GLU 56 25.642 13.871 13.168 487 H1 ALA 1 HT1 ALA 1 1.871 12.658 9.579 488 H2 ALA 1 HT2 ALA 1 1.065 11.900 10.860 489 H3 ALA 1 HT3 ALA 1 0.272 13.076 9.941 490 HA ALA 1 HA ALA 1 1.194 10.438 8.969 491 HB1 ALA 1 HB1 ALA 1 -1.195 9.876 8.834 492 HB2 ALA 1 HB2 ALA 1 -1.615 11.462 9.484 493 HB3 ALA 1 HB3 ALA 1 -0.744 10.301 10.488 494 H ARG 2 HN ARG 2 -0.817 13.314 8.218 495 HA ARG 2 HA ARG 2 -0.513 12.924 5.342 496 HB2 ARG 2 HB2 ARG 2 -2.043 14.977 6.983 497 HB3 ARG 2 HB1 ARG 2 -1.966 15.020 5.223 498 HG2 ARG 2 HG2 ARG 2 -3.102 12.705 6.842 499 HG3 ARG 2 HG1 ARG 2 -4.062 14.001 6.127 500 HD2 ARG 2 HD2 ARG 2 -4.228 12.151 4.631 501 HD3 ARG 2 HD1 ARG 2 -3.127 13.294 3.862 502 HE ARG 2 HE ARG 2 -2.034 11.045 5.419 503 HH11 ARG 2 HH11 ARG 2 -2.406 12.584 2.285 504 HH12 ARG 2 HH12 ARG 2 -1.255 11.547 1.512 505 HH21 ARG 2 HH21 ARG 2 -0.528 9.714 4.403 506 HH22 ARG 2 HH22 ARG 2 -0.185 9.922 2.716 507 H THR 3 HN THR 3 1.649 13.255 4.963 508 HA THR 3 HA THR 3 3.522 14.325 4.322 509 HB THR 3 HB THR 3 1.907 16.894 4.536 510 HG1 THR 3 HG1 THR 3 1.348 16.521 2.414 511 HG21 THR 3 HG21 THR 3 4.439 16.299 2.944 512 HG22 THR 3 HG22 THR 3 4.336 17.352 4.355 513 HG23 THR 3 HG23 THR 3 3.511 17.797 2.859 514 H LYS 4 HN LYS 4 5.040 14.045 5.849 515 HA LYS 4 HA LYS 4 5.766 16.208 7.620 516 HB2 LYS 4 HB2 LYS 4 4.132 15.040 9.065 517 HB3 LYS 4 HB1 LYS 4 4.962 13.513 8.806 518 HG2 LYS 4 HG2 LYS 4 7.008 14.632 9.918 519 HG3 LYS 4 HG1 LYS 4 5.895 15.909 10.415 520 HD2 LYS 4 HD2 LYS 4 6.199 14.260 12.211 521 HD3 LYS 4 HD1 LYS 4 4.529 14.247 11.636 522 HE2 LYS 4 HE2 LYS 4 5.009 12.228 10.286 523 HE3 LYS 4 HE1 LYS 4 6.687 12.247 10.835 524 HZ1 LYS 4 HZ1 LYS 4 5.902 11.915 13.092 525 HZ2 LYS 4 HZ2 LYS 4 5.379 10.672 12.076 526 HZ3 LYS 4 HZ3 LYS 4 4.297 11.880 12.556 527 H GLN 5 HN GLN 5 7.503 16.088 6.092 528 HA GLN 5 HA GLN 5 9.589 15.564 5.350 529 HB2 GLN 5 HB2 GLN 5 9.744 14.794 8.275 530 HB3 GLN 5 HB1 GLN 5 11.157 14.681 7.233 531 HG2 GLN 5 HG2 GLN 5 11.263 16.772 8.401 532 HG3 GLN 5 HG1 GLN 5 10.922 17.109 6.705 533 HE21 GLN 5 HE21 GLN 5 9.904 19.048 6.931 534 HE22 GLN 5 HE22 GLN 5 8.448 19.309 7.821 535 H THR 6 HN THR 6 7.553 13.485 4.964 536 HA THR 6 HA THR 6 8.534 10.915 5.562 537 HB THR 6 HB THR 6 6.740 10.247 3.747 538 HG1 THR 6 HG1 THR 6 6.700 12.477 2.928 539 HG21 THR 6 HG21 THR 6 5.885 11.718 6.271 540 HG22 THR 6 HG22 THR 6 6.380 10.023 6.201 541 HG23 THR 6 HG23 THR 6 4.913 10.553 5.370 542 H ALA 7 HN ALA 7 9.382 9.347 4.309 543 HA ALA 7 HA ALA 7 10.778 10.111 1.834 544 HB1 ALA 7 HB1 ALA 7 12.312 10.571 3.701 545 HB2 ALA 7 HB2 ALA 7 12.880 9.185 2.776 546 HB3 ALA 7 HB3 ALA 7 12.080 8.937 4.327 547 H ARG 8 HN ARG 8 10.174 8.650 0.397 548 HA ARG 8 HA ARG 8 9.258 5.983 1.019 549 HB2 ARG 8 HB2 ARG 8 10.018 7.247 -1.654 550 HB3 ARG 8 HB1 ARG 8 9.156 5.721 -1.450 551 HG2 ARG 8 HG2 ARG 8 7.249 6.929 -0.445 552 HG3 ARG 8 HG1 ARG 8 8.122 8.457 -0.612 553 HD2 ARG 8 HD2 ARG 8 7.254 6.661 -2.913 554 HD3 ARG 8 HD1 ARG 8 6.429 8.135 -2.392 555 HE ARG 8 HE ARG 8 9.243 8.385 -3.163 556 HH11 ARG 8 HH11 ARG 8 5.890 8.856 -4.114 557 HH12 ARG 8 HH12 ARG 8 6.285 9.930 -5.413 558 HH21 ARG 8 HH21 ARG 8 9.733 9.831 -4.868 559 HH22 ARG 8 HH22 ARG 8 8.450 10.470 -5.847 560 H M3L 9 HN M3L 9 10.396 3.981 0.442 561 HA M3L 9 HA M3L 9 13.315 4.299 0.266 562 HB2 M3L 9 HB2 M3L 9 11.661 1.812 0.828 563 HB3 M3L 9 HB1 M3L 9 13.429 1.869 0.780 564 HG2 M3L 9 HG2 M3L 9 13.287 3.667 2.599 565 HG3 M3L 9 HG1 M3L 9 11.574 3.257 2.751 566 HD2 M3L 9 HD2 M3L 9 12.211 0.925 3.336 567 HD3 M3L 9 HD1 M3L 9 13.920 1.369 3.209 568 HE2 M3L 9 HE2 M3L 9 13.424 3.168 4.983 569 HE3 M3L 9 HE1 M3L 9 11.867 2.378 5.210 570 HM11 M3L 9 HH33 M3L 9 11.805 -0.010 6.053 571 HM12 M3L 9 HH31 M3L 9 13.301 -0.797 6.560 572 HM13 M3L 9 HH32 M3L 9 12.982 -0.534 4.846 573 HM21 M3L 9 HH11 M3L 9 13.873 2.790 7.388 574 HM22 M3L 9 HH12 M3L 9 13.861 1.154 8.050 575 HM23 M3L 9 HH13 M3L 9 12.344 1.923 7.574 576 HM31 M3L 9 HH21 M3L 9 15.510 0.442 6.325 577 HM32 M3L 9 HH22 M3L 9 15.523 2.071 5.643 578 HM33 M3L 9 HH23 M3L 9 15.168 0.685 4.608 579 H SER 10 HN SER 10 14.564 3.343 -1.331 580 HA SER 10 HA SER 10 13.555 3.833 -3.915 581 HB2 SER 10 HB2 SER 10 15.904 4.257 -3.218 582 HB3 SER 10 HB1 SER 10 16.181 2.516 -3.092 583 HG SER 10 HG SER 10 16.235 2.363 -5.226 584 H THR 11 HN THR 11 11.841 2.437 -4.367 585 HA THR 11 HA THR 11 12.489 -0.389 -4.963 586 HB THR 11 HB THR 11 10.180 -1.005 -4.205 587 HG1 THR 11 HG1 THR 11 8.805 0.509 -3.713 588 HG21 THR 11 HG21 THR 11 10.559 -0.889 -1.780 589 HG22 THR 11 HG22 THR 11 11.808 0.334 -2.022 590 HG23 THR 11 HG23 THR 11 12.052 -1.307 -2.627 591 H GLY 12 HN GLY 12 10.956 -1.344 -6.549 592 HA2 GLY 12 HA2 GLY 12 8.966 -0.305 -8.024 593 HA3 GLY 12 HA1 GLY 12 10.358 0.496 -8.750 594 H GLY 13 HN GLY 13 12.200 -1.654 -8.426 595 HA2 GLY 13 HA2 GLY 13 11.663 -4.178 -9.173 596 HA3 GLY 13 HA1 GLY 13 11.462 -3.328 -10.707 597 H LYS 14 HN LYS 14 13.344 -1.475 -10.743 598 HA LYS 14 HA LYS 14 15.960 -2.730 -10.222 599 HB2 LYS 14 HB2 LYS 14 15.361 -3.369 -12.543 600 HB3 LYS 14 HB1 LYS 14 15.048 -1.682 -12.946 601 HG2 LYS 14 HG2 LYS 14 17.494 -1.213 -12.410 602 HG3 LYS 14 HG1 LYS 14 17.725 -2.962 -12.290 603 HD2 LYS 14 HD2 LYS 14 17.071 -3.231 -14.644 604 HD3 LYS 14 HD1 LYS 14 16.706 -1.504 -14.763 605 HE2 LYS 14 HE2 LYS 14 19.439 -2.753 -14.307 606 HE3 LYS 14 HE1 LYS 14 18.876 -1.939 -15.769 607 HZ1 LYS 14 HZ1 LYS 14 18.652 0.111 -14.423 608 HZ2 LYS 14 HZ2 LYS 14 20.241 -0.455 -14.520 609 HZ3 LYS 14 HZ3 LYS 14 19.344 -0.695 -13.105 610 H ALA 15 HN ALA 15 17.602 -1.241 -9.812 611 HA ALA 15 HA ALA 15 17.006 1.629 -9.886 612 HB1 ALA 15 HB1 ALA 15 19.165 1.876 -8.702 613 HB2 ALA 15 HB2 ALA 15 19.457 0.140 -8.855 614 HB3 ALA 15 HB3 ALA 15 18.116 0.731 -7.869 Start of MODEL 3 1 H1 GLY 1 HT1 GLY 1 0.694 -1.231 3.325 2 H2 GLY 1 HT2 GLY 1 0.316 -2.059 1.903 3 H3 GLY 1 HT3 GLY 1 -0.785 -0.951 2.554 4 HA2 GLY 1 HA1 GLY 1 0.290 0.051 0.678 5 HA3 GLY 1 HA2 GLY 1 0.783 0.861 2.158 6 H GLU 2 HN GLU 2 2.559 1.521 0.541 7 HA GLU 2 HA GLU 2 4.619 -0.494 0.060 8 HB2 GLU 2 HB2 GLU 2 5.743 1.214 -1.252 9 HB3 GLU 2 HB1 GLU 2 4.044 1.155 -1.708 10 HG2 GLU 2 HG2 GLU 2 3.642 3.169 -0.276 11 HG3 GLU 2 HG1 GLU 2 5.376 3.250 0.038 12 H GLN 3 HN GLN 3 6.989 0.792 0.382 13 HA GLN 3 HA GLN 3 7.219 0.469 3.278 14 HB2 GLN 3 HB2 GLN 3 8.624 -0.719 1.323 15 HB3 GLN 3 HB1 GLN 3 9.626 0.719 1.465 16 HG2 GLN 3 HG2 GLN 3 10.584 -1.001 2.832 17 HG3 GLN 3 HG1 GLN 3 9.900 0.219 3.907 18 HE21 GLN 3 HE21 GLN 3 9.617 -3.052 2.725 19 HE22 GLN 3 HE22 GLN 3 8.449 -3.590 3.882 20 H VAL 4 HN VAL 4 6.497 2.538 4.021 21 HA VAL 4 HA VAL 4 8.656 4.565 3.977 22 HB VAL 4 HB VAL 4 7.044 6.421 4.213 23 HG11 VAL 4 HG11 VAL 4 6.590 4.776 1.702 24 HG12 VAL 4 HG12 VAL 4 7.877 5.949 1.989 25 HG13 VAL 4 HG13 VAL 4 6.206 6.492 1.883 26 HG21 VAL 4 HG21 VAL 4 4.850 4.373 3.670 27 HG22 VAL 4 HG22 VAL 4 4.628 6.126 3.732 28 HG23 VAL 4 HG23 VAL 4 5.112 5.249 5.184 29 H PHE 5 HN PHE 5 9.104 5.536 5.931 30 HA PHE 5 HA PHE 5 7.686 4.640 8.360 31 HB2 PHE 5 HB2 PHE 5 10.657 4.274 7.765 32 HB3 PHE 5 HB1 PHE 5 10.058 4.334 9.419 33 HD1 PHE 5 HD1 PHE 5 9.573 2.454 6.197 34 HD2 PHE 5 HD2 PHE 5 9.344 2.344 10.460 35 HE1 PHE 5 HE1 PHE 5 9.095 0.050 6.116 36 HE2 PHE 5 HE2 PHE 5 8.868 -0.060 10.362 37 HZ PHE 5 HZ PHE 5 8.736 -1.213 8.196 38 H ALA 6 HN ALA 6 8.200 5.930 10.256 39 HA ALA 6 HA ALA 6 8.192 8.726 9.831 40 HB1 ALA 6 HB1 ALA 6 8.722 7.193 12.410 41 HB2 ALA 6 HB2 ALA 6 7.139 7.681 11.806 42 HB3 ALA 6 HB3 ALA 6 8.309 8.909 12.292 43 H VAL 7 HN VAL 7 9.895 9.910 9.192 44 HA VAL 7 HA VAL 7 12.630 9.017 9.534 45 HB VAL 7 HB VAL 7 13.309 10.961 8.236 46 HG11 VAL 7 HG11 VAL 7 12.450 9.068 6.942 47 HG12 VAL 7 HG12 VAL 7 12.067 10.587 6.129 48 HG13 VAL 7 HG13 VAL 7 10.811 9.723 7.022 49 HG21 VAL 7 HG21 VAL 7 11.704 12.685 7.432 50 HG22 VAL 7 HG22 VAL 7 11.874 12.702 9.187 51 HG23 VAL 7 HG23 VAL 7 10.444 11.973 8.449 52 H GLU 8 HN GLU 8 14.238 10.111 10.623 53 HA GLU 8 HA GLU 8 13.512 11.778 12.921 54 HB2 GLU 8 HB2 GLU 8 15.045 9.749 13.078 55 HB3 GLU 8 HB1 GLU 8 16.220 10.624 12.107 56 HG2 GLU 8 HG2 GLU 8 16.365 12.346 13.880 57 HG3 GLU 8 HG1 GLU 8 15.211 11.429 14.849 58 H SER 9 HN SER 9 16.015 11.690 10.396 59 HA SER 9 HA SER 9 15.689 14.332 9.386 60 HB2 SER 9 HB2 SER 9 18.063 13.837 11.255 61 HB3 SER 9 HB1 SER 9 18.009 15.161 10.093 62 HG SER 9 HG SER 9 16.369 14.746 12.362 63 H ILE 10 HN ILE 10 17.916 14.783 8.014 64 HA ILE 10 HA ILE 10 18.805 12.299 6.719 65 HB ILE 10 HB ILE 10 19.587 15.196 6.141 66 HG12 ILE 10 HG12 ILE 10 17.201 14.853 5.667 67 HG13 ILE 10 HG11 ILE 10 18.093 15.058 4.168 68 HG21 ILE 10 HG21 ILE 10 21.336 13.674 5.376 69 HG22 ILE 10 HG22 ILE 10 20.487 14.353 3.988 70 HG23 ILE 10 HG23 ILE 10 20.151 12.697 4.500 71 HD11 ILE 10 HD11 ILE 10 17.091 12.452 5.294 72 HD12 ILE 10 HD12 ILE 10 17.993 12.643 3.788 73 HD13 ILE 10 HD13 ILE 10 16.394 13.367 3.959 74 H ARG 11 HN ARG 11 20.894 11.488 6.998 75 HA ARG 11 HA ARG 11 22.400 12.493 9.314 76 HB2 ARG 11 HB2 ARG 11 21.710 9.828 8.430 77 HB3 ARG 11 HB1 ARG 11 23.458 9.948 8.371 78 HG2 ARG 11 HG2 ARG 11 21.673 10.393 10.795 79 HG3 ARG 11 HG1 ARG 11 22.780 9.045 10.522 80 HD2 ARG 11 HD2 ARG 11 24.698 10.587 10.661 81 HD3 ARG 11 HD1 ARG 11 23.599 11.956 10.873 82 HE ARG 11 HE ARG 11 23.591 9.741 12.825 83 HH11 ARG 11 HH11 ARG 11 24.114 13.160 12.173 84 HH12 ARG 11 HH12 ARG 11 24.343 13.558 13.845 85 HH21 ARG 11 HH21 ARG 11 23.854 10.300 15.015 86 HH22 ARG 11 HH22 ARG 11 24.196 11.940 15.460 87 H LYS 12 HN LYS 12 22.949 11.322 5.971 88 HA LYS 12 HA LYS 12 25.251 13.148 5.704 89 HB2 LYS 12 HB2 LYS 12 25.297 10.180 4.993 90 HB3 LYS 12 HB1 LYS 12 26.487 11.337 4.405 91 HG2 LYS 12 HG2 LYS 12 27.129 11.802 6.788 92 HG3 LYS 12 HG1 LYS 12 26.023 10.518 7.290 93 HD2 LYS 12 HD2 LYS 12 27.336 8.850 6.069 94 HD3 LYS 12 HD1 LYS 12 28.380 10.109 5.401 95 HE2 LYS 12 HE2 LYS 12 29.504 8.951 7.248 96 HE3 LYS 12 HE1 LYS 12 29.199 10.636 7.676 97 HZ1 LYS 12 HZ1 LYS 12 27.311 9.943 8.988 98 HZ2 LYS 12 HZ2 LYS 12 28.688 9.106 9.489 99 HZ3 LYS 12 HZ3 LYS 12 27.528 8.331 8.532 100 H LYS 13 HN LYS 13 26.000 13.077 3.285 101 HA LYS 13 HA LYS 13 23.831 12.939 1.362 102 HB2 LYS 13 HB2 LYS 13 23.383 15.147 2.463 103 HB3 LYS 13 HB1 LYS 13 25.036 15.661 2.133 104 HG2 LYS 13 HG2 LYS 13 24.571 15.523 -0.313 105 HG3 LYS 13 HG1 LYS 13 22.909 15.040 0.041 106 HD2 LYS 13 HD2 LYS 13 22.564 17.245 1.200 107 HD3 LYS 13 HD1 LYS 13 24.200 17.720 0.725 108 HE2 LYS 13 HE2 LYS 13 23.543 17.472 -1.674 109 HE3 LYS 13 HE1 LYS 13 21.907 17.048 -1.168 110 HZ1 LYS 13 HZ1 LYS 13 23.286 19.641 -0.829 111 HZ2 LYS 13 HZ2 LYS 13 21.834 19.266 -0.062 112 HZ3 LYS 13 HZ3 LYS 13 21.908 19.312 -1.750 113 H ARG 14 HN ARG 14 24.662 12.677 -0.653 114 HA ARG 14 HA ARG 14 27.430 13.240 -1.361 115 HB2 ARG 14 HB2 ARG 14 27.939 10.821 -1.839 116 HB3 ARG 14 HB1 ARG 14 27.729 11.148 -0.118 117 HG2 ARG 14 HG2 ARG 14 25.451 10.245 -0.186 118 HG3 ARG 14 HG1 ARG 14 25.587 9.962 -1.925 119 HD2 ARG 14 HD2 ARG 14 27.439 8.681 0.107 120 HD3 ARG 14 HD1 ARG 14 25.919 7.949 -0.404 121 HE ARG 14 HE ARG 14 26.796 7.910 -2.696 122 HH11 ARG 14 HH11 ARG 14 29.161 8.211 -0.112 123 HH12 ARG 14 HH12 ARG 14 30.434 7.481 -1.031 124 HH21 ARG 14 HH21 ARG 14 28.461 6.965 -3.883 125 HH22 ARG 14 HH22 ARG 14 30.035 6.777 -3.190 126 H VAL 15 HN VAL 15 27.817 12.022 -3.599 127 HA VAL 15 HA VAL 15 25.379 11.690 -5.189 128 HB VAL 15 HB VAL 15 26.014 14.024 -5.598 129 HG11 VAL 15 HG11 VAL 15 28.401 13.940 -5.027 130 HG12 VAL 15 HG12 VAL 15 28.162 14.686 -6.608 131 HG13 VAL 15 HG13 VAL 15 28.737 13.020 -6.499 132 HG21 VAL 15 HG21 VAL 15 26.173 13.994 -8.060 133 HG22 VAL 15 HG22 VAL 15 25.052 12.760 -7.480 134 HG23 VAL 15 HG23 VAL 15 26.668 12.298 -8.014 135 H ARG 16 HN ARG 16 25.596 10.193 -6.816 136 HA ARG 16 HA ARG 16 28.065 8.672 -7.167 137 HB2 ARG 16 HB2 ARG 16 27.283 7.682 -5.117 138 HB3 ARG 16 HB1 ARG 16 25.618 7.648 -5.678 139 HG2 ARG 16 HG2 ARG 16 26.192 5.879 -7.301 140 HG3 ARG 16 HG1 ARG 16 27.871 5.907 -6.749 141 HD2 ARG 16 HD2 ARG 16 27.244 5.097 -4.572 142 HD3 ARG 16 HD1 ARG 16 25.524 5.332 -4.912 143 HE ARG 16 HE ARG 16 27.098 3.386 -6.485 144 HH11 ARG 16 HH11 ARG 16 24.404 4.053 -4.313 145 HH12 ARG 16 HH12 ARG 16 23.808 2.423 -4.374 146 HH21 ARG 16 HH21 ARG 16 26.288 1.262 -6.561 147 HH22 ARG 16 HH22 ARG 16 24.869 0.847 -5.654 148 H LYS 17 HN LYS 17 28.095 8.594 -9.330 149 HA LYS 17 HA LYS 17 27.548 8.348 -11.513 150 HB2 LYS 17 HB2 LYS 17 25.380 6.507 -10.414 151 HB3 LYS 17 HB1 LYS 17 25.862 6.588 -12.107 152 HG2 LYS 17 HG2 LYS 17 27.728 5.805 -9.841 153 HG3 LYS 17 HG1 LYS 17 26.818 4.649 -10.822 154 HD2 LYS 17 HD2 LYS 17 28.005 5.374 -12.842 155 HD3 LYS 17 HD1 LYS 17 28.851 6.631 -11.931 156 HE2 LYS 17 HE2 LYS 17 29.128 3.637 -11.458 157 HE3 LYS 17 HE1 LYS 17 30.279 4.649 -12.334 158 HZ1 LYS 17 HZ1 LYS 17 30.959 4.275 -10.046 159 HZ2 LYS 17 HZ2 LYS 17 29.537 4.989 -9.474 160 HZ3 LYS 17 HZ3 LYS 17 30.668 5.914 -10.326 161 H GLY 18 HN GLY 18 26.471 10.572 -10.094 162 HA2 GLY 18 HA2 GLY 18 25.312 12.449 -10.902 163 HA3 GLY 18 HA1 GLY 18 24.344 11.412 -11.931 164 H LYS 19 HN LYS 19 24.002 9.700 -9.316 165 HA LYS 19 HA LYS 19 21.480 10.969 -8.563 166 HB2 LYS 19 HB2 LYS 19 22.647 8.242 -7.824 167 HB3 LYS 19 HB1 LYS 19 21.046 8.817 -7.359 168 HG2 LYS 19 HG2 LYS 19 21.993 8.407 -10.205 169 HG3 LYS 19 HG1 LYS 19 21.001 7.267 -9.291 170 HD2 LYS 19 HD2 LYS 19 20.214 10.102 -10.084 171 HD3 LYS 19 HD1 LYS 19 19.657 8.623 -10.866 172 HE2 LYS 19 HE2 LYS 19 19.099 9.387 -7.975 173 HE3 LYS 19 HE1 LYS 19 17.966 9.571 -9.318 174 HZ1 LYS 19 HZ1 LYS 19 19.083 6.992 -8.344 175 HZ2 LYS 19 HZ2 LYS 19 17.999 7.174 -9.629 176 HZ3 LYS 19 HZ3 LYS 19 17.513 7.562 -8.063 177 H VAL 20 HN VAL 20 21.523 12.416 -7.006 178 HA VAL 20 HA VAL 20 23.523 12.468 -4.904 179 HB VAL 20 HB VAL 20 21.044 14.226 -5.246 180 HG11 VAL 20 HG11 VAL 20 23.479 14.616 -3.450 181 HG12 VAL 20 HG12 VAL 20 21.840 14.237 -2.911 182 HG13 VAL 20 HG13 VAL 20 22.178 15.790 -3.677 183 HG21 VAL 20 HG21 VAL 20 22.580 15.931 -6.171 184 HG22 VAL 20 HG22 VAL 20 22.592 14.469 -7.162 185 HG23 VAL 20 HG23 VAL 20 23.928 14.795 -6.054 186 H GLU 21 HN GLU 21 23.356 11.180 -3.217 187 HA GLU 21 HA GLU 21 20.776 9.957 -2.434 188 HB2 GLU 21 HB2 GLU 21 23.621 9.002 -1.854 189 HB3 GLU 21 HB1 GLU 21 22.129 8.127 -1.512 190 HG2 GLU 21 HG2 GLU 21 21.707 7.796 -3.872 191 HG3 GLU 21 HG1 GLU 21 23.054 8.851 -4.310 192 H TYR 22 HN TYR 22 20.246 9.803 -0.258 193 HA TYR 22 HA TYR 22 21.717 11.512 1.669 194 HB2 TYR 22 HB2 TYR 22 18.666 11.309 1.436 195 HB3 TYR 22 HB1 TYR 22 19.579 12.373 2.501 196 HD1 TYR 22 HD1 TYR 22 18.428 11.835 -0.950 197 HD2 TYR 22 HD2 TYR 22 20.664 14.413 1.612 198 HE1 TYR 22 HE1 TYR 22 18.453 13.549 -2.692 199 HE2 TYR 22 HE2 TYR 22 20.655 16.136 -0.133 200 HH TYR 22 HH TYR 22 18.674 15.945 -2.920 201 H LEU 23 HN LEU 23 22.300 10.264 3.419 202 HA LEU 23 HA LEU 23 21.159 7.678 3.941 203 HB2 LEU 23 HB2 LEU 23 23.519 8.299 4.549 204 HB3 LEU 23 HB1 LEU 23 22.899 9.410 5.757 205 HG LEU 23 HG LEU 23 21.900 7.484 6.995 206 HD11 LEU 23 HD11 LEU 23 23.288 5.735 4.951 207 HD12 LEU 23 HD12 LEU 23 21.545 5.936 5.142 208 HD13 LEU 23 HD13 LEU 23 22.486 5.183 6.425 209 HD21 LEU 23 HD21 LEU 23 24.879 7.196 6.484 210 HD22 LEU 23 HD22 LEU 23 24.000 6.552 7.875 211 HD23 LEU 23 HD23 LEU 23 24.121 8.294 7.642 212 H VAL 24 HN VAL 24 18.928 8.199 4.031 213 HA VAL 24 HA VAL 24 17.803 10.119 5.780 214 HB VAL 24 HB VAL 24 16.467 7.638 4.596 215 HG11 VAL 24 HG11 VAL 24 14.324 8.850 4.948 216 HG12 VAL 24 HG12 VAL 24 15.193 10.165 5.742 217 HG13 VAL 24 HG13 VAL 24 15.159 8.562 6.477 218 HG21 VAL 24 HG21 VAL 24 17.416 9.069 2.829 219 HG22 VAL 24 HG22 VAL 24 16.582 10.477 3.495 220 HG23 VAL 24 HG23 VAL 24 15.650 9.145 2.806 221 H LYS 25 HN LYS 25 18.200 10.000 7.856 222 HA LYS 25 HA LYS 25 18.519 7.542 9.326 223 HB2 LYS 25 HB2 LYS 25 19.828 9.560 9.918 224 HB3 LYS 25 HB1 LYS 25 18.349 10.442 10.275 225 HG2 LYS 25 HG2 LYS 25 19.436 9.722 12.332 226 HG3 LYS 25 HG1 LYS 25 17.881 8.907 12.148 227 HD2 LYS 25 HD2 LYS 25 19.020 6.861 11.383 228 HD3 LYS 25 HD1 LYS 25 20.585 7.667 11.463 229 HE2 LYS 25 HE2 LYS 25 20.240 6.224 13.418 230 HE3 LYS 25 HE1 LYS 25 20.317 7.916 13.913 231 HZ1 LYS 25 HZ1 LYS 25 17.817 6.359 13.520 232 HZ2 LYS 25 HZ2 LYS 25 17.915 7.962 14.047 233 HZ3 LYS 25 HZ3 LYS 25 18.521 6.719 15.016 234 H TRP 26 HN TRP 26 16.775 6.372 9.769 235 HA TRP 26 HA TRP 26 14.131 7.555 10.047 236 HB2 TRP 26 HB2 TRP 26 14.918 4.633 10.463 237 HB3 TRP 26 HB1 TRP 26 13.310 5.275 10.130 238 HD1 TRP 26 HD1 TRP 26 16.536 4.270 8.420 239 HE1 TRP 26 HE1 TRP 26 16.248 4.366 5.866 240 HE3 TRP 26 HE3 TRP 26 11.954 6.508 8.195 241 HZ2 TRP 26 HZ2 TRP 26 14.357 5.272 4.005 242 HZ3 TRP 26 HZ3 TRP 26 10.970 6.944 5.980 243 HH2 TRP 26 HH2 TRP 26 12.147 6.338 3.929 244 H LYS 27 HN LYS 27 12.866 7.332 11.962 245 HA LYS 27 HA LYS 27 14.259 8.504 14.108 246 HB2 LYS 27 HB2 LYS 27 11.954 9.060 13.425 247 HB3 LYS 27 HB1 LYS 27 11.398 7.475 13.957 248 HG2 LYS 27 HG2 LYS 27 12.015 8.059 16.280 249 HG3 LYS 27 HG1 LYS 27 12.542 9.656 15.730 250 HD2 LYS 27 HD2 LYS 27 10.243 10.147 14.956 251 HD3 LYS 27 HD1 LYS 27 9.715 8.547 15.493 252 HE2 LYS 27 HE2 LYS 27 10.352 9.187 17.836 253 HE3 LYS 27 HE1 LYS 27 10.737 10.810 17.249 254 HZ1 LYS 27 HZ1 LYS 27 8.087 9.488 17.086 255 HZ2 LYS 27 HZ2 LYS 27 8.445 11.047 16.527 256 HZ3 LYS 27 HZ3 LYS 27 8.523 10.697 18.180 257 H GLY 28 HN GLY 28 12.503 5.369 14.007 258 HA2 GLY 28 HA2 GLY 28 13.581 4.559 16.606 259 HA3 GLY 28 HA1 GLY 28 12.422 3.685 15.626 260 H TRP 29 HN TRP 29 14.991 4.510 13.631 261 HA TRP 29 HA TRP 29 16.106 1.769 13.863 262 HB2 TRP 29 HB2 TRP 29 15.635 3.412 11.328 263 HB3 TRP 29 HB1 TRP 29 16.348 1.803 11.383 264 HD1 TRP 29 HD1 TRP 29 12.944 3.542 12.162 265 HE1 TRP 29 HE1 TRP 29 11.068 1.839 11.773 266 HE3 TRP 29 HE3 TRP 29 15.778 -0.595 11.093 267 HZ2 TRP 29 HZ2 TRP 29 10.797 -0.879 11.111 268 HZ3 TRP 29 HZ3 TRP 29 14.621 -2.705 10.576 269 HH2 TRP 29 HH2 TRP 29 12.181 -2.840 10.585 270 HA PRO 30 HA PRO 30 20.082 3.856 14.370 271 HB2 PRO 30 HB2 PRO 30 21.745 1.702 14.095 272 HB3 PRO 30 HB1 PRO 30 20.715 1.920 15.518 273 HG2 PRO 30 HG2 PRO 30 20.226 0.228 13.067 274 HG3 PRO 30 HG1 PRO 30 20.042 -0.214 14.780 275 HD2 PRO 30 HD2 PRO 30 17.916 0.512 13.257 276 HD3 PRO 30 HD1 PRO 30 18.004 0.910 14.988 277 HA PRO 31 HA PRO 31 21.919 5.052 10.414 278 HB2 PRO 31 HB2 PRO 31 24.583 4.062 11.461 279 HB3 PRO 31 HB1 PRO 31 24.181 5.600 10.672 280 HG2 PRO 31 HG2 PRO 31 24.461 5.543 13.295 281 HG3 PRO 31 HG1 PRO 31 23.107 6.448 12.588 282 HD2 PRO 31 HD2 PRO 31 23.085 3.746 13.935 283 HD3 PRO 31 HD1 PRO 31 21.914 5.080 14.058 284 H LYS 32 HN LYS 32 22.790 1.775 11.512 285 HA LYS 32 HA LYS 32 23.680 0.839 8.939 286 HB2 LYS 32 HB2 LYS 32 23.654 -1.416 9.912 287 HB3 LYS 32 HB1 LYS 32 24.448 -0.271 10.986 288 HG2 LYS 32 HG2 LYS 32 22.412 -0.186 12.398 289 HG3 LYS 32 HG1 LYS 32 21.621 -1.342 11.316 290 HD2 LYS 32 HD2 LYS 32 23.362 -3.031 11.864 291 HD3 LYS 32 HD1 LYS 32 24.146 -1.875 12.945 292 HE2 LYS 32 HE2 LYS 32 22.134 -1.852 14.376 293 HE3 LYS 32 HE1 LYS 32 21.339 -2.991 13.288 294 HZ1 LYS 32 HZ1 LYS 32 23.092 -4.602 13.788 295 HZ2 LYS 32 HZ2 LYS 32 22.257 -4.130 15.180 296 HZ3 LYS 32 HZ3 LYS 32 23.798 -3.508 14.864 297 H TYR 33 HN TYR 33 20.565 1.029 10.527 298 HA TYR 33 HA TYR 33 19.216 -0.264 8.232 299 HB2 TYR 33 HB2 TYR 33 18.165 0.449 11.009 300 HB3 TYR 33 HB1 TYR 33 17.179 -0.243 9.724 301 HD1 TYR 33 HD1 TYR 33 18.941 -2.324 8.592 302 HD2 TYR 33 HD2 TYR 33 18.299 -1.252 12.673 303 HE1 TYR 33 HE1 TYR 33 19.585 -4.585 9.284 304 HE2 TYR 33 HE2 TYR 33 18.955 -3.511 13.368 305 HH TYR 33 HH TYR 33 20.413 -5.758 11.196 306 H SER 34 HN SER 34 20.335 2.681 8.864 307 HA SER 34 HA SER 34 18.123 4.194 7.715 308 HB2 SER 34 HB2 SER 34 21.002 5.006 8.284 309 HB3 SER 34 HB1 SER 34 19.715 6.094 7.751 310 HG SER 34 HG SER 34 19.296 4.525 10.040 311 H THR 35 HN THR 35 18.026 4.824 5.565 312 HA THR 35 HA THR 35 19.636 3.141 3.726 313 HB THR 35 HB THR 35 17.558 3.303 2.234 314 HG1 THR 35 HG1 THR 35 16.548 5.068 3.233 315 HG21 THR 35 HG21 THR 35 16.272 1.588 3.466 316 HG22 THR 35 HG22 THR 35 17.171 1.963 4.938 317 HG23 THR 35 HG23 THR 35 18.005 1.257 3.550 318 H TRP 36 HN TRP 36 20.555 4.053 1.945 319 HA TRP 36 HA TRP 36 20.795 6.933 1.754 320 HB2 TRP 36 HB2 TRP 36 21.993 4.672 0.084 321 HB3 TRP 36 HB1 TRP 36 22.332 6.376 -0.197 322 HD1 TRP 36 HD1 TRP 36 23.199 3.506 2.181 323 HE1 TRP 36 HE1 TRP 36 25.165 4.237 3.673 324 HE3 TRP 36 HE3 TRP 36 23.358 8.464 0.944 325 HZ2 TRP 36 HZ2 TRP 36 26.584 6.591 4.259 326 HZ3 TRP 36 HZ3 TRP 36 25.050 9.895 2.024 327 HH2 TRP 36 HH2 TRP 36 26.627 8.970 3.648 328 H GLU 37 HN GLU 37 18.518 7.330 1.345 329 HA GLU 37 HA GLU 37 17.393 6.535 -1.235 330 HB2 GLU 37 HB2 GLU 37 16.154 8.091 1.078 331 HB3 GLU 37 HB1 GLU 37 15.304 7.635 -0.395 332 HG2 GLU 37 HG2 GLU 37 16.392 5.775 1.740 333 HG3 GLU 37 HG1 GLU 37 14.696 6.125 1.406 334 HA PRO 38 HA PRO 38 18.834 10.506 -2.906 335 HB2 PRO 38 HB2 PRO 38 17.285 9.706 -5.333 336 HB3 PRO 38 HB1 PRO 38 19.010 10.061 -5.163 337 HG2 PRO 38 HG2 PRO 38 18.145 7.553 -5.545 338 HG3 PRO 38 HG1 PRO 38 19.528 7.890 -4.477 339 HD2 PRO 38 HD2 PRO 38 16.641 7.363 -3.729 340 HD3 PRO 38 HD1 PRO 38 18.130 6.683 -3.027 341 H GLU 39 HN GLU 39 17.785 12.324 -4.123 342 HA GLU 39 HA GLU 39 15.602 13.444 -2.755 343 HB2 GLU 39 HB2 GLU 39 15.756 15.258 -4.472 344 HB3 GLU 39 HB1 GLU 39 17.327 14.800 -3.820 345 HG2 GLU 39 HG2 GLU 39 17.590 13.299 -5.877 346 HG3 GLU 39 HG1 GLU 39 16.178 14.121 -6.538 347 H GLU 40 HN GLU 40 15.642 11.273 -5.388 348 HA GLU 40 HA GLU 40 13.253 11.624 -6.761 349 HB2 GLU 40 HB2 GLU 40 14.416 8.941 -5.879 350 HB3 GLU 40 HB1 GLU 40 13.383 9.230 -7.280 351 HG2 GLU 40 HG2 GLU 40 16.239 10.173 -6.895 352 HG3 GLU 40 HG1 GLU 40 15.704 8.858 -7.940 353 H HIS 41 HN HIS 41 13.879 10.103 -3.637 354 HA HIS 41 HA HIS 41 11.054 9.311 -3.286 355 HB2 HIS 41 HB2 HIS 41 13.621 8.270 -2.028 356 HB3 HIS 41 HB1 HIS 41 12.014 7.756 -1.522 357 HD1 HIS 41 HD1 HIS 41 13.630 5.543 -2.347 358 HD2 HIS 41 HD2 HIS 41 11.572 7.765 -5.181 359 HE1 HIS 41 HE1 HIS 41 13.458 4.048 -4.355 360 HE2 HIS 41 HE2 HIS 41 12.060 5.358 -5.995 361 H ILE 42 HN ILE 42 13.275 11.648 -2.183 362 HA ILE 42 HA ILE 42 12.333 11.995 0.512 363 HB ILE 42 HB ILE 42 13.759 13.986 -1.322 364 HG12 ILE 42 HG12 ILE 42 15.128 11.964 -0.929 365 HG13 ILE 42 HG11 ILE 42 15.839 13.354 -0.125 366 HG21 ILE 42 HG21 ILE 42 14.364 15.213 0.738 367 HG22 ILE 42 HG22 ILE 42 13.368 14.111 1.691 368 HG23 ILE 42 HG23 ILE 42 12.618 15.168 0.492 369 HD11 ILE 42 HD11 ILE 42 14.969 12.553 2.018 370 HD12 ILE 42 HD12 ILE 42 15.999 11.358 1.232 371 HD13 ILE 42 HD13 ILE 42 14.247 11.161 1.206 372 H LEU 43 HN LEU 43 10.281 12.620 0.992 373 HA LEU 43 HA LEU 43 8.463 13.497 -1.033 374 HB2 LEU 43 HB2 LEU 43 8.053 13.271 1.970 375 HB3 LEU 43 HB1 LEU 43 6.770 13.607 0.813 376 HG LEU 43 HG LEU 43 8.338 11.027 1.161 377 HD11 LEU 43 HD11 LEU 43 6.144 10.017 1.518 378 HD12 LEU 43 HD12 LEU 43 5.352 11.578 1.270 379 HD13 LEU 43 HD13 LEU 43 6.416 11.334 2.658 380 HD21 LEU 43 HD21 LEU 43 7.077 10.137 -0.779 381 HD22 LEU 43 HD22 LEU 43 8.235 11.386 -1.212 382 HD23 LEU 43 HD23 LEU 43 6.512 11.770 -1.139 383 H ASP 44 HN ASP 44 10.486 15.280 1.085 384 HA ASP 44 HA ASP 44 9.024 17.782 0.610 385 HB2 ASP 44 HB2 ASP 44 8.044 17.024 2.681 386 HB3 ASP 44 HB1 ASP 44 9.607 16.563 3.335 387 HA PRO 45 HA PRO 45 13.308 19.066 -0.106 388 HB2 PRO 45 HB2 PRO 45 12.844 21.824 0.023 389 HB3 PRO 45 HB1 PRO 45 12.608 20.826 -1.417 390 HG2 PRO 45 HG2 PRO 45 10.576 21.720 0.627 391 HG3 PRO 45 HG1 PRO 45 10.441 21.688 -1.146 392 HD2 PRO 45 HD2 PRO 45 9.297 19.778 0.324 393 HD3 PRO 45 HD1 PRO 45 10.107 19.358 -1.205 394 H ARG 46 HN ARG 46 11.392 20.330 2.628 395 HA ARG 46 HA ARG 46 13.567 21.548 4.037 396 HB2 ARG 46 HB2 ARG 46 10.923 20.583 5.199 397 HB3 ARG 46 HB1 ARG 46 12.048 21.701 5.964 398 HG2 ARG 46 HG2 ARG 46 11.599 23.367 4.202 399 HG3 ARG 46 HG1 ARG 46 10.493 22.237 3.409 400 HD2 ARG 46 HD2 ARG 46 9.079 22.226 5.469 401 HD3 ARG 46 HD1 ARG 46 10.161 23.422 6.191 402 HE ARG 46 HE ARG 46 9.420 24.654 3.906 403 HH11 ARG 46 HH11 ARG 46 7.504 23.068 6.390 404 HH12 ARG 46 HH12 ARG 46 6.138 24.110 6.179 405 HH21 ARG 46 HH21 ARG 46 7.602 26.014 3.632 406 HH22 ARG 46 HH22 ARG 46 6.187 25.774 4.607 407 H LEU 47 HN LEU 47 12.491 18.218 3.821 408 HA LEU 47 HA LEU 47 13.524 17.136 6.200 409 HB2 LEU 47 HB2 LEU 47 12.152 15.811 4.664 410 HB3 LEU 47 HB1 LEU 47 13.379 15.906 3.416 411 HG LEU 47 HG LEU 47 14.862 14.423 4.661 412 HD11 LEU 47 HD11 LEU 47 14.413 15.140 6.950 413 HD12 LEU 47 HD12 LEU 47 14.265 13.393 6.798 414 HD13 LEU 47 HD13 LEU 47 12.813 14.393 6.894 415 HD21 LEU 47 HD21 LEU 47 13.546 12.342 4.647 416 HD22 LEU 47 HD22 LEU 47 13.171 13.339 3.244 417 HD23 LEU 47 HD23 LEU 47 12.047 13.275 4.606 418 H VAL 48 HN VAL 48 15.138 17.848 3.129 419 HA VAL 48 HA VAL 48 17.775 17.075 4.116 420 HB VAL 48 HB VAL 48 17.019 18.337 1.445 421 HG11 VAL 48 HG11 VAL 48 19.241 17.513 0.687 422 HG12 VAL 48 HG12 VAL 48 19.585 16.954 2.324 423 HG13 VAL 48 HG13 VAL 48 19.391 18.680 2.007 424 HG21 VAL 48 HG21 VAL 48 17.452 15.392 2.108 425 HG22 VAL 48 HG22 VAL 48 17.178 16.050 0.492 426 HG23 VAL 48 HG23 VAL 48 15.902 16.145 1.710 427 H MET 49 HN MET 49 16.038 20.023 3.154 428 HA MET 49 HA MET 49 18.240 21.793 3.213 429 HB2 MET 49 HB2 MET 49 15.244 22.319 3.274 430 HB3 MET 49 HB1 MET 49 16.434 23.620 3.244 431 HG2 MET 49 HG2 MET 49 17.273 22.837 1.091 432 HG3 MET 49 HG1 MET 49 16.138 21.480 1.126 433 HE1 MET 49 HE1 MET 49 14.624 23.822 -1.669 434 HE2 MET 49 HE2 MET 49 15.188 22.192 -1.297 435 HE3 MET 49 HE3 MET 49 16.332 23.537 -1.336 436 H ALA 50 HN ALA 50 15.689 21.200 5.650 437 HA ALA 50 HA ALA 50 16.575 23.107 7.563 438 HB1 ALA 50 HB1 ALA 50 14.301 22.135 7.644 439 HB2 ALA 50 HB2 ALA 50 15.137 21.946 9.186 440 HB3 ALA 50 HB3 ALA 50 14.982 20.570 8.085 441 H TYR 51 HN TYR 51 17.437 19.684 7.020 442 HA TYR 51 HA TYR 51 19.237 19.337 9.160 443 HB2 TYR 51 HB2 TYR 51 18.758 17.353 7.982 444 HB3 TYR 51 HB1 TYR 51 18.960 18.107 6.411 445 HD1 TYR 51 HD2 TYR 51 21.056 17.256 9.441 446 HD2 TYR 51 HD1 TYR 51 20.868 17.515 5.173 447 HE1 TYR 51 HE2 TYR 51 23.328 16.334 9.275 448 HE2 TYR 51 HE1 TYR 51 23.138 16.592 5.013 449 HH TYR 51 HH TYR 51 25.174 16.453 6.458 450 H GLU 52 HN GLU 52 19.761 20.728 5.905 451 HA GLU 52 HA GLU 52 22.604 20.995 6.196 452 HB2 GLU 52 HB2 GLU 52 20.721 22.220 4.150 453 HB3 GLU 52 HB1 GLU 52 22.480 22.265 4.055 454 HG2 GLU 52 HG2 GLU 52 22.495 19.772 3.967 455 HG3 GLU 52 HG1 GLU 52 20.732 19.794 3.938 456 H GLU 53 HN GLU 53 20.101 22.892 7.478 457 HA GLU 53 HA GLU 53 21.279 25.489 7.372 458 HB2 GLU 53 HB2 GLU 53 19.317 24.373 9.424 459 HB3 GLU 53 HB1 GLU 53 19.685 26.077 9.172 460 HG2 GLU 53 HG2 GLU 53 18.287 24.210 7.233 461 HG3 GLU 53 HG1 GLU 53 17.546 25.506 8.166 462 H LYS 54 HN LYS 54 21.906 22.674 9.355 463 HA LYS 54 HA LYS 54 24.091 23.958 10.754 464 HB2 LYS 54 HB2 LYS 54 23.279 23.833 12.997 465 HB3 LYS 54 HB1 LYS 54 21.976 24.581 12.088 466 HG2 LYS 54 HG2 LYS 54 22.072 21.671 12.963 467 HG3 LYS 54 HG1 LYS 54 21.168 22.953 13.765 468 HD2 LYS 54 HD2 LYS 54 19.697 23.188 11.809 469 HD3 LYS 54 HD1 LYS 54 20.654 22.004 10.910 470 HE2 LYS 54 HE2 LYS 54 20.032 20.265 12.581 471 HE3 LYS 54 HE1 LYS 54 19.061 21.456 13.442 472 HZ1 LYS 54 HZ1 LYS 54 17.634 21.652 11.530 473 HZ2 LYS 54 HZ2 LYS 54 17.734 20.036 12.016 474 HZ3 LYS 54 HZ3 LYS 54 18.584 20.562 10.657 475 H GLU 55 HN GLU 55 25.474 22.380 11.866 476 HA GLU 55 HA GLU 55 25.318 19.703 10.762 477 HB2 GLU 55 HB2 GLU 55 27.301 20.948 12.706 478 HB3 GLU 55 HB1 GLU 55 27.426 19.302 12.081 479 HG2 GLU 55 HG2 GLU 55 27.553 20.246 9.767 480 HG3 GLU 55 HG1 GLU 55 27.567 21.867 10.465 481 H GLU 56 HN GLU 56 23.369 18.999 11.618 482 HA GLU 56 HA GLU 56 23.505 17.628 14.152 483 HB2 GLU 56 HB2 GLU 56 22.679 19.895 14.845 484 HB3 GLU 56 HB1 GLU 56 21.353 19.760 13.705 485 HG2 GLU 56 HG2 GLU 56 20.472 19.314 15.874 486 HG3 GLU 56 HG1 GLU 56 20.508 17.785 15.003 487 H1 ALA 1 HT1 ALA 1 7.358 21.955 16.012 488 H2 ALA 1 HT2 ALA 1 6.834 23.512 15.629 489 H3 ALA 1 HT3 ALA 1 8.487 23.198 15.802 490 HA ALA 1 HA ALA 1 7.857 23.410 13.487 491 HB1 ALA 1 HB1 ALA 1 8.912 21.337 12.686 492 HB2 ALA 1 HB2 ALA 1 8.687 20.600 14.277 493 HB3 ALA 1 HB3 ALA 1 9.761 21.987 14.090 494 H ARG 2 HN ARG 2 5.976 23.518 12.416 495 HA ARG 2 HA ARG 2 3.859 21.536 12.671 496 HB2 ARG 2 HB2 ARG 2 4.118 23.974 10.857 497 HB3 ARG 2 HB1 ARG 2 2.669 22.976 10.996 498 HG2 ARG 2 HG2 ARG 2 2.431 23.616 13.356 499 HG3 ARG 2 HG1 ARG 2 3.922 24.556 13.269 500 HD2 ARG 2 HD2 ARG 2 2.832 26.015 11.537 501 HD3 ARG 2 HD1 ARG 2 1.325 25.128 11.794 502 HE ARG 2 HE ARG 2 1.797 25.896 14.276 503 HH11 ARG 2 HH11 ARG 2 2.072 27.836 11.344 504 HH12 ARG 2 HH12 ARG 2 1.802 29.336 12.174 505 HH21 ARG 2 HH21 ARG 2 1.440 27.859 15.336 506 HH22 ARG 2 HH22 ARG 2 1.446 29.345 14.441 507 H THR 3 HN THR 3 6.715 21.649 10.917 508 HA THR 3 HA THR 3 5.812 20.383 8.479 509 HB THR 3 HB THR 3 7.747 21.838 8.318 510 HG1 THR 3 HG1 THR 3 7.658 19.836 7.035 511 HG21 THR 3 HG21 THR 3 9.218 19.963 10.208 512 HG22 THR 3 HG22 THR 3 8.693 21.605 10.592 513 HG23 THR 3 HG23 THR 3 9.926 21.338 9.356 514 H LYS 4 HN LYS 4 5.303 18.306 8.326 515 HA LYS 4 HA LYS 4 6.801 16.238 9.824 516 HB2 LYS 4 HB2 LYS 4 3.817 16.290 9.173 517 HB3 LYS 4 HB1 LYS 4 4.670 14.846 9.722 518 HG2 LYS 4 HG2 LYS 4 5.226 15.981 11.848 519 HG3 LYS 4 HG1 LYS 4 4.370 17.432 11.302 520 HD2 LYS 4 HD2 LYS 4 2.251 16.169 11.233 521 HD3 LYS 4 HD1 LYS 4 3.098 14.688 11.693 522 HE2 LYS 4 HE2 LYS 4 2.870 17.183 13.421 523 HE3 LYS 4 HE1 LYS 4 1.908 15.718 13.604 524 HZ1 LYS 4 HZ1 LYS 4 4.857 15.883 13.888 525 HZ2 LYS 4 HZ2 LYS 4 3.926 14.489 14.076 526 HZ3 LYS 4 HZ3 LYS 4 3.745 15.776 15.157 527 H GLN 5 HN GLN 5 7.970 15.100 8.419 528 HA GLN 5 HA GLN 5 7.041 14.719 5.638 529 HB2 GLN 5 HB2 GLN 5 9.440 14.928 4.906 530 HB3 GLN 5 HB1 GLN 5 8.728 16.420 5.490 531 HG2 GLN 5 HG2 GLN 5 10.462 14.691 7.271 532 HG3 GLN 5 HG1 GLN 5 11.158 15.871 6.166 533 HE21 GLN 5 HE21 GLN 5 10.696 18.105 6.498 534 HE22 GLN 5 HE22 GLN 5 10.244 18.691 8.059 535 H THR 6 HN THR 6 8.377 13.038 4.508 536 HA THR 6 HA THR 6 9.230 10.729 6.073 537 HB THR 6 HB THR 6 6.909 10.466 4.119 538 HG1 THR 6 HG1 THR 6 6.831 10.440 6.972 539 HG21 THR 6 HG21 THR 6 6.637 8.215 5.069 540 HG22 THR 6 HG22 THR 6 8.015 8.494 6.136 541 HG23 THR 6 HG23 THR 6 8.257 8.407 4.390 542 H ALA 7 HN ALA 7 10.272 9.110 4.665 543 HA ALA 7 HA ALA 7 10.791 9.956 1.873 544 HB1 ALA 7 HB1 ALA 7 12.764 8.586 3.744 545 HB2 ALA 7 HB2 ALA 7 12.837 10.267 3.219 546 HB3 ALA 7 HB3 ALA 7 13.049 8.969 2.042 547 H ARG 8 HN ARG 8 10.961 8.250 0.382 548 HA ARG 8 HA ARG 8 9.372 5.867 1.073 549 HB2 ARG 8 HB2 ARG 8 10.253 6.777 -1.705 550 HB3 ARG 8 HB1 ARG 8 8.915 5.706 -1.300 551 HG2 ARG 8 HG2 ARG 8 8.769 8.500 -0.221 552 HG3 ARG 8 HG1 ARG 8 8.604 8.322 -1.966 553 HD2 ARG 8 HD2 ARG 8 6.900 6.813 0.030 554 HD3 ARG 8 HD1 ARG 8 6.445 8.371 -0.644 555 HE ARG 8 HE ARG 8 6.603 5.808 -2.048 556 HH11 ARG 8 HH11 ARG 8 5.839 9.228 -2.245 557 HH12 ARG 8 HH12 ARG 8 4.853 9.039 -3.655 558 HH21 ARG 8 HH21 ARG 8 5.312 5.584 -3.877 559 HH22 ARG 8 HH22 ARG 8 4.560 6.981 -4.580 560 H M3L 9 HN M3L 9 10.541 4.013 1.527 561 HA M3L 9 HA M3L 9 13.309 3.768 0.865 562 HB2 M3L 9 HB2 M3L 9 11.400 1.558 1.739 563 HB3 M3L 9 HB1 M3L 9 13.164 1.452 1.698 564 HG2 M3L 9 HG2 M3L 9 13.164 3.409 3.359 565 HG3 M3L 9 HG1 M3L 9 11.427 3.119 3.538 566 HD2 M3L 9 HD2 M3L 9 11.925 0.772 4.246 567 HD3 M3L 9 HD1 M3L 9 13.655 1.116 4.113 568 HE2 M3L 9 HE2 M3L 9 13.198 3.044 5.791 569 HE3 M3L 9 HE1 M3L 9 11.646 2.262 6.068 570 HM11 M3L 9 HH33 M3L 9 12.831 -0.693 5.819 571 HM12 M3L 9 HH31 M3L 9 11.643 -0.168 7.014 572 HM13 M3L 9 HH32 M3L 9 13.173 -0.871 7.542 573 HM21 M3L 9 HH11 M3L 9 15.296 2.016 6.521 574 HM22 M3L 9 HH12 M3L 9 14.970 0.596 5.521 575 HM23 M3L 9 HH13 M3L 9 15.316 0.402 7.243 576 HM31 M3L 9 HH21 M3L 9 12.122 1.871 8.445 577 HM32 M3L 9 HH22 M3L 9 13.634 2.759 8.226 578 HM33 M3L 9 HH23 M3L 9 13.654 1.147 8.944 579 H SER 10 HN SER 10 14.294 2.644 -0.741 580 HA SER 10 HA SER 10 12.977 2.154 -3.207 581 HB2 SER 10 HB2 SER 10 15.376 2.798 -3.006 582 HB3 SER 10 HB1 SER 10 15.730 1.237 -2.253 583 HG SER 10 HG SER 10 15.295 0.227 -4.161 584 H THR 11 HN THR 11 11.268 0.764 -2.671 585 HA THR 11 HA THR 11 11.723 -1.872 -1.530 586 HB THR 11 HB THR 11 9.717 -0.726 -0.793 587 HG1 THR 11 HG1 THR 11 8.128 -2.320 -1.447 588 HG21 THR 11 HG21 THR 11 9.296 0.758 -2.717 589 HG22 THR 11 HG22 THR 11 7.845 -0.154 -2.292 590 HG23 THR 11 HG23 THR 11 8.807 -0.631 -3.694 591 H GLY 12 HN GLY 12 11.383 -3.838 -2.593 592 HA2 GLY 12 HA2 GLY 12 10.938 -5.235 -4.470 593 HA3 GLY 12 HA1 GLY 12 11.164 -3.863 -5.550 594 H GLY 13 HN GLY 13 12.408 -6.165 -6.176 595 HA2 GLY 13 HA2 GLY 13 15.240 -5.466 -6.000 596 HA3 GLY 13 HA1 GLY 13 14.784 -7.035 -5.336 597 H LYS 14 HN LYS 14 14.668 -5.033 -8.241 598 HA LYS 14 HA LYS 14 13.977 -7.279 -9.973 599 HB2 LYS 14 HB2 LYS 14 14.487 -4.350 -10.666 600 HB3 LYS 14 HB1 LYS 14 13.806 -5.568 -11.749 601 HG2 LYS 14 HG2 LYS 14 11.849 -5.800 -10.255 602 HG3 LYS 14 HG1 LYS 14 12.530 -4.586 -9.167 603 HD2 LYS 14 HD2 LYS 14 12.383 -2.906 -11.010 604 HD3 LYS 14 HD1 LYS 14 11.631 -4.132 -12.045 605 HE2 LYS 14 HE2 LYS 14 10.509 -3.079 -9.416 606 HE3 LYS 14 HE1 LYS 14 9.932 -2.660 -11.028 607 HZ1 LYS 14 HZ1 LYS 14 9.347 -5.007 -11.353 608 HZ2 LYS 14 HZ2 LYS 14 8.523 -4.327 -10.045 609 HZ3 LYS 14 HZ3 LYS 14 9.838 -5.356 -9.777 610 H ALA 15 HN ALA 15 15.391 -8.457 -11.022 611 HA ALA 15 HA ALA 15 18.111 -7.491 -11.631 612 HB1 ALA 15 HB1 ALA 15 18.274 -8.834 -9.559 613 HB2 ALA 15 HB2 ALA 15 19.056 -9.664 -10.906 614 HB3 ALA 15 HB3 ALA 15 17.463 -10.187 -10.359 Start of MODEL 4 1 H1 GLY 1 HT1 GLY 1 4.269 -2.177 -5.408 2 H2 GLY 1 HT2 GLY 1 3.429 -0.809 -5.930 3 H3 GLY 1 HT3 GLY 1 2.580 -2.191 -5.450 4 HA2 GLY 1 HA1 GLY 1 2.492 -0.506 -3.744 5 HA3 GLY 1 HA2 GLY 1 3.355 -1.940 -3.199 6 H GLU 2 HN GLU 2 3.663 0.447 -1.926 7 HA GLU 2 HA GLU 2 6.524 0.933 -2.153 8 HB2 GLU 2 HB2 GLU 2 6.356 3.366 -2.295 9 HB3 GLU 2 HB1 GLU 2 5.489 2.672 -3.659 10 HG2 GLU 2 HG2 GLU 2 4.209 3.781 -1.132 11 HG3 GLU 2 HG1 GLU 2 4.328 4.625 -2.669 12 H GLN 3 HN GLN 3 7.307 2.092 -0.178 13 HA GLN 3 HA GLN 3 5.327 2.420 1.955 14 HB2 GLN 3 HB2 GLN 3 6.280 0.099 2.202 15 HB3 GLN 3 HB1 GLN 3 7.871 0.812 2.429 16 HG2 GLN 3 HG2 GLN 3 6.864 0.215 4.579 17 HG3 GLN 3 HG1 GLN 3 7.109 1.957 4.458 18 HE21 GLN 3 HE21 GLN 3 4.741 -0.608 4.605 19 HE22 GLN 3 HE22 GLN 3 3.366 0.403 4.875 20 H VAL 4 HN VAL 4 5.596 4.172 3.049 21 HA VAL 4 HA VAL 4 8.075 5.758 2.912 22 HB VAL 4 HB VAL 4 6.765 7.669 3.617 23 HG11 VAL 4 HG11 VAL 4 5.060 7.848 1.823 24 HG12 VAL 4 HG12 VAL 4 5.171 6.106 1.551 25 HG13 VAL 4 HG13 VAL 4 6.566 7.141 1.238 26 HG21 VAL 4 HG21 VAL 4 5.317 6.651 5.324 27 HG22 VAL 4 HG22 VAL 4 4.401 5.801 4.079 28 HG23 VAL 4 HG23 VAL 4 4.338 7.564 4.171 29 H PHE 5 HN PHE 5 8.990 6.548 4.913 30 HA PHE 5 HA PHE 5 8.137 5.157 7.378 31 HB2 PHE 5 HB2 PHE 5 10.992 5.388 6.305 32 HB3 PHE 5 HB1 PHE 5 10.607 4.888 7.949 33 HD1 PHE 5 HD2 PHE 5 10.413 3.903 4.378 34 HD2 PHE 5 HD1 PHE 5 9.744 2.655 8.412 35 HE1 PHE 5 HE2 PHE 5 10.134 1.581 3.619 36 HE2 PHE 5 HE1 PHE 5 9.468 0.337 7.640 37 HZ PHE 5 HZ PHE 5 9.662 -0.203 5.248 38 H ALA 6 HN ALA 6 8.327 6.291 9.243 39 HA ALA 6 HA ALA 6 8.445 9.145 9.201 40 HB1 ALA 6 HB1 ALA 6 8.202 8.964 11.654 41 HB2 ALA 6 HB2 ALA 6 8.500 7.227 11.566 42 HB3 ALA 6 HB3 ALA 6 7.052 7.914 10.826 43 H VAL 7 HN VAL 7 10.310 10.240 8.939 44 HA VAL 7 HA VAL 7 12.869 8.950 9.606 45 HB VAL 7 HB VAL 7 13.928 10.520 8.082 46 HG11 VAL 7 HG11 VAL 7 12.873 9.863 5.957 47 HG12 VAL 7 HG12 VAL 7 11.405 9.385 6.815 48 HG13 VAL 7 HG13 VAL 7 12.913 8.512 7.088 49 HG21 VAL 7 HG21 VAL 7 12.662 12.217 6.814 50 HG22 VAL 7 HG22 VAL 7 12.589 12.532 8.546 51 HG23 VAL 7 HG23 VAL 7 11.203 11.820 7.721 52 H GLU 8 HN GLU 8 14.516 10.046 10.698 53 HA GLU 8 HA GLU 8 13.786 12.074 12.635 54 HB2 GLU 8 HB2 GLU 8 15.380 10.206 13.142 55 HB3 GLU 8 HB1 GLU 8 16.504 10.846 11.947 56 HG2 GLU 8 HG2 GLU 8 16.637 12.956 13.323 57 HG3 GLU 8 HG1 GLU 8 15.653 12.156 14.550 58 H SER 9 HN SER 9 16.445 11.871 10.268 59 HA SER 9 HA SER 9 15.885 14.277 8.846 60 HB2 SER 9 HB2 SER 9 18.109 14.359 10.936 61 HB3 SER 9 HB1 SER 9 18.076 15.461 9.557 62 HG SER 9 HG SER 9 15.691 15.603 10.634 63 H ILE 10 HN ILE 10 18.023 14.846 7.502 64 HA ILE 10 HA ILE 10 19.170 12.465 6.339 65 HB ILE 10 HB ILE 10 20.091 15.360 5.992 66 HG12 ILE 10 HG12 ILE 10 17.719 15.275 5.410 67 HG13 ILE 10 HG11 ILE 10 18.669 15.443 3.942 68 HG21 ILE 10 HG21 ILE 10 21.728 13.727 5.193 69 HG22 ILE 10 HG22 ILE 10 21.015 14.601 3.836 70 HG23 ILE 10 HG23 ILE 10 20.498 12.949 4.187 71 HD11 ILE 10 HD11 ILE 10 17.366 12.913 4.944 72 HD12 ILE 10 HD12 ILE 10 18.356 13.045 3.488 73 HD13 ILE 10 HD13 ILE 10 16.833 13.925 3.602 74 H ARG 11 HN ARG 11 21.290 11.699 6.709 75 HA ARG 11 HA ARG 11 22.657 12.612 9.175 76 HB2 ARG 11 HB2 ARG 11 21.731 10.169 8.810 77 HB3 ARG 11 HB1 ARG 11 23.119 9.950 7.766 78 HG2 ARG 11 HG2 ARG 11 23.272 10.673 10.706 79 HG3 ARG 11 HG1 ARG 11 23.368 9.031 10.081 80 HD2 ARG 11 HD2 ARG 11 25.425 9.792 8.774 81 HD3 ARG 11 HD1 ARG 11 25.363 11.291 9.714 82 HE ARG 11 HE ARG 11 25.658 8.589 10.915 83 HH11 ARG 11 HH11 ARG 11 26.546 12.004 10.907 84 HH12 ARG 11 HH12 ARG 11 27.621 11.829 12.254 85 HH21 ARG 11 HH21 ARG 11 27.084 8.407 12.667 86 HH22 ARG 11 HH22 ARG 11 27.940 9.806 13.236 87 H LYS 12 HN LYS 12 23.186 11.460 5.854 88 HA LYS 12 HA LYS 12 25.378 13.363 5.438 89 HB2 LYS 12 HB2 LYS 12 25.618 10.360 5.206 90 HB3 LYS 12 HB1 LYS 12 26.487 11.354 4.047 91 HG2 LYS 12 HG2 LYS 12 27.690 12.462 5.900 92 HG3 LYS 12 HG1 LYS 12 26.842 11.426 7.059 93 HD2 LYS 12 HD2 LYS 12 27.926 9.448 6.242 94 HD3 LYS 12 HD1 LYS 12 28.502 10.264 4.787 95 HE2 LYS 12 HE2 LYS 12 30.333 9.899 6.377 96 HE3 LYS 12 HE1 LYS 12 30.034 11.623 6.146 97 HZ1 LYS 12 HZ1 LYS 12 29.127 9.984 8.447 98 HZ2 LYS 12 HZ2 LYS 12 28.786 11.626 8.223 99 HZ3 LYS 12 HZ3 LYS 12 30.379 11.121 8.459 100 H LYS 13 HN LYS 13 25.972 13.362 3.010 101 HA LYS 13 HA LYS 13 23.716 13.019 1.214 102 HB2 LYS 13 HB2 LYS 13 23.014 15.055 2.436 103 HB3 LYS 13 HB1 LYS 13 24.590 15.797 2.171 104 HG2 LYS 13 HG2 LYS 13 24.110 15.816 -0.296 105 HG3 LYS 13 HG1 LYS 13 22.498 15.179 0.048 106 HD2 LYS 13 HD2 LYS 13 21.944 17.209 1.331 107 HD3 LYS 13 HD1 LYS 13 23.582 17.830 1.094 108 HE2 LYS 13 HE2 LYS 13 23.167 17.895 -1.367 109 HE3 LYS 13 HE1 LYS 13 21.514 17.345 -1.082 110 HZ1 LYS 13 HZ1 LYS 13 21.120 19.351 0.207 111 HZ2 LYS 13 HZ2 LYS 13 21.601 19.722 -1.373 112 HZ3 LYS 13 HZ3 LYS 13 22.697 19.881 -0.094 113 H ARG 14 HN ARG 14 24.523 12.731 -0.780 114 HA ARG 14 HA ARG 14 26.926 14.014 -1.786 115 HB2 ARG 14 HB2 ARG 14 28.139 11.917 -2.273 116 HB3 ARG 14 HB1 ARG 14 27.885 12.081 -0.536 117 HG2 ARG 14 HG2 ARG 14 25.988 10.497 -0.661 118 HG3 ARG 14 HG1 ARG 14 26.243 10.324 -2.402 119 HD2 ARG 14 HD2 ARG 14 28.253 9.600 -0.240 120 HD3 ARG 14 HD1 ARG 14 27.218 8.450 -1.103 121 HE ARG 14 HE ARG 14 29.189 10.149 -2.527 122 HH11 ARG 14 HH11 ARG 14 27.969 6.926 -1.824 123 HH12 ARG 14 HH12 ARG 14 28.936 6.170 -3.048 124 HH21 ARG 14 HH21 ARG 14 30.406 9.159 -4.146 125 HH22 ARG 14 HH22 ARG 14 30.315 7.444 -4.379 126 H VAL 15 HN VAL 15 27.371 12.816 -4.113 127 HA VAL 15 HA VAL 15 24.859 11.776 -5.258 128 HB VAL 15 HB VAL 15 24.990 14.127 -5.989 129 HG11 VAL 15 HG11 VAL 15 26.776 14.974 -7.448 130 HG12 VAL 15 HG12 VAL 15 27.641 13.443 -7.297 131 HG13 VAL 15 HG13 VAL 15 27.425 14.473 -5.884 132 HG21 VAL 15 HG21 VAL 15 25.532 12.199 -8.280 133 HG22 VAL 15 HG22 VAL 15 24.770 13.784 -8.431 134 HG23 VAL 15 HG23 VAL 15 23.964 12.501 -7.526 135 H ARG 16 HN ARG 16 25.125 9.943 -6.342 136 HA ARG 16 HA ARG 16 27.788 9.068 -7.261 137 HB2 ARG 16 HB2 ARG 16 27.304 8.046 -5.037 138 HB3 ARG 16 HB1 ARG 16 25.796 7.391 -5.664 139 HG2 ARG 16 HG2 ARG 16 27.117 6.028 -7.296 140 HG3 ARG 16 HG1 ARG 16 28.601 6.629 -6.555 141 HD2 ARG 16 HD2 ARG 16 28.066 4.405 -5.690 142 HD3 ARG 16 HD1 ARG 16 27.925 5.605 -4.401 143 HE ARG 16 HE ARG 16 25.584 5.407 -4.482 144 HH11 ARG 16 HH11 ARG 16 27.129 3.024 -6.539 145 HH12 ARG 16 HH12 ARG 16 25.693 2.065 -6.691 146 HH21 ARG 16 HH21 ARG 16 23.718 4.179 -4.709 147 HH22 ARG 16 HH22 ARG 16 23.751 2.725 -5.668 148 H LYS 17 HN LYS 17 27.642 8.673 -9.360 149 HA LYS 17 HA LYS 17 27.001 7.995 -11.404 150 HB2 LYS 17 HB2 LYS 17 26.708 5.807 -10.150 151 HB3 LYS 17 HB1 LYS 17 24.999 6.176 -9.989 152 HG2 LYS 17 HG2 LYS 17 25.378 4.575 -11.795 153 HG3 LYS 17 HG1 LYS 17 24.724 6.078 -12.434 154 HD2 LYS 17 HD2 LYS 17 26.412 5.472 -13.984 155 HD3 LYS 17 HD1 LYS 17 27.166 6.724 -13.002 156 HE2 LYS 17 HE2 LYS 17 27.567 3.738 -12.590 157 HE3 LYS 17 HE1 LYS 17 28.661 4.779 -13.495 158 HZ1 LYS 17 HZ1 LYS 17 29.058 6.035 -11.455 159 HZ2 LYS 17 HZ2 LYS 17 29.458 4.404 -11.282 160 HZ3 LYS 17 HZ3 LYS 17 28.031 4.995 -10.605 161 H GLY 18 HN GLY 18 25.693 10.288 -10.145 162 HA2 GLY 18 HA2 GLY 18 24.316 11.933 -11.015 163 HA3 GLY 18 HA1 GLY 18 23.636 10.774 -12.143 164 H LYS 19 HN LYS 19 23.591 9.559 -8.988 165 HA LYS 19 HA LYS 19 20.846 10.552 -8.445 166 HB2 LYS 19 HB2 LYS 19 22.219 7.942 -7.647 167 HB3 LYS 19 HB1 LYS 19 20.695 8.486 -6.939 168 HG2 LYS 19 HG2 LYS 19 21.169 7.916 -9.878 169 HG3 LYS 19 HG1 LYS 19 20.349 6.836 -8.739 170 HD2 LYS 19 HD2 LYS 19 18.587 8.545 -8.402 171 HD3 LYS 19 HD1 LYS 19 19.417 9.636 -9.516 172 HE2 LYS 19 HE2 LYS 19 19.078 7.953 -11.338 173 HE3 LYS 19 HE1 LYS 19 18.157 6.958 -10.205 174 HZ1 LYS 19 HZ1 LYS 19 16.585 8.797 -9.960 175 HZ2 LYS 19 HZ2 LYS 19 16.701 8.278 -11.567 176 HZ3 LYS 19 HZ3 LYS 19 17.464 9.707 -11.084 177 H VAL 20 HN VAL 20 20.946 12.186 -7.023 178 HA VAL 20 HA VAL 20 23.072 12.542 -5.132 179 HB VAL 20 HB VAL 20 20.333 13.893 -5.179 180 HG11 VAL 20 HG11 VAL 20 21.374 15.657 -3.783 181 HG12 VAL 20 HG12 VAL 20 22.864 14.717 -3.698 182 HG13 VAL 20 HG13 VAL 20 21.383 14.095 -2.965 183 HG21 VAL 20 HG21 VAL 20 22.971 14.883 -6.338 184 HG22 VAL 20 HG22 VAL 20 21.458 15.791 -6.294 185 HG23 VAL 20 HG23 VAL 20 21.575 14.323 -7.266 186 H GLU 21 HN GLU 21 23.298 11.272 -3.406 187 HA GLU 21 HA GLU 21 21.040 9.669 -2.458 188 HB2 GLU 21 HB2 GLU 21 24.003 9.328 -1.851 189 HB3 GLU 21 HB1 GLU 21 22.701 8.208 -1.436 190 HG2 GLU 21 HG2 GLU 21 22.298 7.912 -3.902 191 HG3 GLU 21 HG1 GLU 21 23.751 8.875 -4.197 192 H TYR 22 HN TYR 22 20.476 9.560 -0.361 193 HA TYR 22 HA TYR 22 21.651 11.470 1.562 194 HB2 TYR 22 HB2 TYR 22 18.688 10.849 1.093 195 HB3 TYR 22 HB1 TYR 22 19.310 11.806 2.437 196 HD1 TYR 22 HD2 TYR 22 18.713 11.772 -1.217 197 HD2 TYR 22 HD1 TYR 22 20.105 14.092 2.080 198 HE1 TYR 22 HE2 TYR 22 18.679 13.792 -2.608 199 HE2 TYR 22 HE1 TYR 22 20.058 16.100 0.691 200 HH TYR 22 HH TYR 22 18.456 16.294 -2.217 201 H LEU 23 HN LEU 23 22.700 10.111 2.920 202 HA LEU 23 HA LEU 23 21.758 7.581 3.851 203 HB2 LEU 23 HB2 LEU 23 24.130 8.399 4.080 204 HB3 LEU 23 HB1 LEU 23 23.580 9.609 5.227 205 HG LEU 23 HG LEU 23 22.885 7.768 6.786 206 HD11 LEU 23 HD11 LEU 23 24.256 5.933 4.800 207 HD12 LEU 23 HD12 LEU 23 22.529 5.973 5.175 208 HD13 LEU 23 HD13 LEU 23 23.684 5.487 6.411 209 HD21 LEU 23 HD21 LEU 23 25.158 7.185 7.529 210 HD22 LEU 23 HD22 LEU 23 25.062 8.883 7.068 211 HD23 LEU 23 HD23 LEU 23 25.818 7.716 5.978 212 H VAL 24 HN VAL 24 19.509 8.013 4.204 213 HA VAL 24 HA VAL 24 18.693 10.173 5.910 214 HB VAL 24 HB VAL 24 17.041 7.898 4.720 215 HG11 VAL 24 HG11 VAL 24 15.042 9.276 5.271 216 HG12 VAL 24 HG12 VAL 24 16.073 10.422 6.135 217 HG13 VAL 24 HG13 VAL 24 15.909 8.766 6.722 218 HG21 VAL 24 HG21 VAL 24 17.327 10.798 3.837 219 HG22 VAL 24 HG22 VAL 24 16.255 9.598 3.110 220 HG23 VAL 24 HG23 VAL 24 18.003 9.389 3.013 221 H LYS 25 HN LYS 25 18.929 10.052 8.050 222 HA LYS 25 HA LYS 25 18.858 7.554 9.510 223 HB2 LYS 25 HB2 LYS 25 20.258 9.404 10.370 224 HB3 LYS 25 HB1 LYS 25 18.848 10.445 10.512 225 HG2 LYS 25 HG2 LYS 25 19.454 9.598 12.710 226 HG3 LYS 25 HG1 LYS 25 17.895 8.925 12.221 227 HD2 LYS 25 HD2 LYS 25 19.145 6.830 11.482 228 HD3 LYS 25 HD1 LYS 25 20.594 7.516 12.224 229 HE2 LYS 25 HE2 LYS 25 18.005 6.749 13.613 230 HE3 LYS 25 HE1 LYS 25 19.574 5.962 13.776 231 HZ1 LYS 25 HZ1 LYS 25 18.859 8.698 14.698 232 HZ2 LYS 25 HZ2 LYS 25 20.414 8.035 14.777 233 HZ3 LYS 25 HZ3 LYS 25 19.156 7.344 15.671 234 H TRP 26 HN TRP 26 16.998 6.556 9.700 235 HA TRP 26 HA TRP 26 14.424 7.915 9.571 236 HB2 TRP 26 HB2 TRP 26 14.831 4.926 10.035 237 HB3 TRP 26 HB1 TRP 26 13.479 5.736 9.251 238 HD1 TRP 26 HD1 TRP 26 17.071 4.574 8.620 239 HE1 TRP 26 HE1 TRP 26 17.504 4.441 6.101 240 HE3 TRP 26 HE3 TRP 26 12.701 6.575 6.915 241 HZ2 TRP 26 HZ2 TRP 26 16.224 5.117 3.712 242 HZ3 TRP 26 HZ3 TRP 26 12.381 6.798 4.485 243 HH2 TRP 26 HH2 TRP 26 14.109 6.080 2.911 244 H LYS 27 HN LYS 27 12.944 7.942 11.381 245 HA LYS 27 HA LYS 27 14.230 8.680 13.773 246 HB2 LYS 27 HB2 LYS 27 12.106 9.677 13.109 247 HB3 LYS 27 HB1 LYS 27 11.285 8.130 13.248 248 HG2 LYS 27 HG2 LYS 27 10.746 9.569 15.144 249 HG3 LYS 27 HG1 LYS 27 11.620 8.133 15.675 250 HD2 LYS 27 HD2 LYS 27 12.455 10.061 16.900 251 HD3 LYS 27 HD1 LYS 27 13.718 9.489 15.809 252 HE2 LYS 27 HE2 LYS 27 13.612 11.933 15.798 253 HE3 LYS 27 HE1 LYS 27 13.146 11.301 14.222 254 HZ1 LYS 27 HZ1 LYS 27 11.270 12.233 16.329 255 HZ2 LYS 27 HZ2 LYS 27 10.829 11.642 14.802 256 HZ3 LYS 27 HZ3 LYS 27 11.693 13.088 14.931 257 H GLY 28 HN GLY 28 12.058 5.867 13.263 258 HA2 GLY 28 HA2 GLY 28 12.682 4.760 15.880 259 HA3 GLY 28 HA1 GLY 28 11.571 4.105 14.694 260 H TRP 29 HN TRP 29 14.454 4.691 13.113 261 HA TRP 29 HA TRP 29 15.239 1.844 13.338 262 HB2 TRP 29 HB2 TRP 29 15.383 3.677 10.902 263 HB3 TRP 29 HB1 TRP 29 15.905 1.997 10.949 264 HD1 TRP 29 HD1 TRP 29 12.620 4.076 11.209 265 HE1 TRP 29 HE1 TRP 29 10.672 2.603 10.414 266 HE3 TRP 29 HE3 TRP 29 15.144 -0.314 10.494 267 HZ2 TRP 29 HZ2 TRP 29 10.251 -0.057 9.593 268 HZ3 TRP 29 HZ3 TRP 29 13.896 -2.275 9.685 269 HH2 TRP 29 HH2 TRP 29 11.496 -2.149 9.244 270 HA PRO 30 HA PRO 30 19.149 3.579 14.827 271 HB2 PRO 30 HB2 PRO 30 20.607 1.264 14.910 272 HB3 PRO 30 HB1 PRO 30 19.302 1.604 16.056 273 HG2 PRO 30 HG2 PRO 30 19.226 -0.043 13.523 274 HG3 PRO 30 HG1 PRO 30 18.629 -0.466 15.145 275 HD2 PRO 30 HD2 PRO 30 16.961 0.446 13.228 276 HD3 PRO 30 HD1 PRO 30 16.725 0.876 14.939 277 HA PRO 31 HA PRO 31 21.879 4.509 11.412 278 HB2 PRO 31 HB2 PRO 31 24.473 4.020 12.214 279 HB3 PRO 31 HB1 PRO 31 23.504 5.375 12.817 280 HG2 PRO 31 HG2 PRO 31 23.958 2.659 14.064 281 HG3 PRO 31 HG1 PRO 31 24.080 4.268 14.819 282 HD2 PRO 31 HD2 PRO 31 21.876 2.776 15.150 283 HD3 PRO 31 HD1 PRO 31 21.738 4.534 14.927 284 H LYS 32 HN LYS 32 22.030 1.169 12.453 285 HA LYS 32 HA LYS 32 23.450 0.241 10.091 286 HB2 LYS 32 HB2 LYS 32 22.858 -2.040 10.837 287 HB3 LYS 32 HB1 LYS 32 23.649 -1.102 12.098 288 HG2 LYS 32 HG2 LYS 32 21.565 -0.792 13.274 289 HG3 LYS 32 HG1 LYS 32 20.648 -1.508 11.945 290 HD2 LYS 32 HD2 LYS 32 21.699 -3.689 12.353 291 HD3 LYS 32 HD1 LYS 32 22.711 -2.993 13.622 292 HE2 LYS 32 HE2 LYS 32 19.675 -3.059 13.731 293 HE3 LYS 32 HE1 LYS 32 20.719 -4.282 14.463 294 HZ1 LYS 32 HZ1 LYS 32 20.004 -2.587 16.054 295 HZ2 LYS 32 HZ2 LYS 32 20.772 -1.387 15.132 296 HZ3 LYS 32 HZ3 LYS 32 21.680 -2.597 15.870 297 H TYR 33 HN TYR 33 20.308 1.329 10.646 298 HA TYR 33 HA TYR 33 19.291 0.074 8.162 299 HB2 TYR 33 HB2 TYR 33 17.820 1.075 10.624 300 HB3 TYR 33 HB1 TYR 33 16.991 0.814 9.092 301 HD1 TYR 33 HD2 TYR 33 18.637 -0.847 11.939 302 HD2 TYR 33 HD1 TYR 33 16.636 -1.452 8.215 303 HE1 TYR 33 HE2 TYR 33 18.346 -3.224 12.480 304 HE2 TYR 33 HE1 TYR 33 16.347 -3.828 8.758 305 HH TYR 33 HH TYR 33 17.452 -5.534 10.196 306 H SER 34 HN SER 34 20.390 3.055 9.503 307 HA SER 34 HA SER 34 19.029 4.857 7.772 308 HB2 SER 34 HB2 SER 34 20.928 6.412 8.157 309 HB3 SER 34 HB1 SER 34 20.399 5.689 9.670 310 HG SER 34 HG SER 34 22.347 4.196 8.512 311 H THR 35 HN THR 35 19.083 4.921 5.580 312 HA THR 35 HA THR 35 21.235 3.423 4.176 313 HB THR 35 HB THR 35 19.370 2.741 2.522 314 HG1 THR 35 HG1 THR 35 17.423 3.403 2.947 315 HG21 THR 35 HG21 THR 35 20.325 1.097 4.097 316 HG22 THR 35 HG22 THR 35 18.591 0.835 3.898 317 HG23 THR 35 HG23 THR 35 19.203 1.629 5.350 318 H TRP 36 HN TRP 36 21.833 4.094 2.146 319 HA TRP 36 HA TRP 36 21.541 6.895 1.509 320 HB2 TRP 36 HB2 TRP 36 23.017 4.637 0.070 321 HB3 TRP 36 HB1 TRP 36 23.077 6.325 -0.418 322 HD1 TRP 36 HD1 TRP 36 24.563 3.894 2.114 323 HE1 TRP 36 HE1 TRP 36 26.460 5.091 3.372 324 HE3 TRP 36 HE3 TRP 36 23.732 8.664 0.480 325 HZ2 TRP 36 HZ2 TRP 36 27.465 7.711 3.640 326 HZ3 TRP 36 HZ3 TRP 36 25.204 10.463 1.287 327 HH2 TRP 36 HH2 TRP 36 27.030 9.991 2.837 328 H GLU 37 HN GLU 37 19.344 7.043 1.026 329 HA GLU 37 HA GLU 37 18.328 5.672 -1.380 330 HB2 GLU 37 HB2 GLU 37 16.884 7.308 0.736 331 HB3 GLU 37 HB1 GLU 37 16.113 6.445 -0.590 332 HG2 GLU 37 HG2 GLU 37 17.638 5.196 1.718 333 HG3 GLU 37 HG1 GLU 37 15.885 5.295 1.580 334 HA PRO 38 HA PRO 38 19.327 9.351 -3.657 335 HB2 PRO 38 HB2 PRO 38 17.352 8.591 -5.750 336 HB3 PRO 38 HB1 PRO 38 19.117 8.652 -5.836 337 HG2 PRO 38 HG2 PRO 38 17.776 6.310 -5.808 338 HG3 PRO 38 HG1 PRO 38 19.368 6.485 -5.044 339 HD2 PRO 38 HD2 PRO 38 16.635 6.507 -3.753 340 HD3 PRO 38 HD1 PRO 38 18.116 5.659 -3.244 341 H GLU 39 HN GLU 39 18.426 11.192 -4.811 342 HA GLU 39 HA GLU 39 17.079 12.865 -3.125 343 HB2 GLU 39 HB2 GLU 39 17.063 14.440 -5.078 344 HB3 GLU 39 HB1 GLU 39 18.600 13.615 -4.866 345 HG2 GLU 39 HG2 GLU 39 17.805 11.954 -6.637 346 HG3 GLU 39 HG1 GLU 39 16.471 13.055 -6.948 347 H GLU 40 HN GLU 40 15.626 10.839 -5.558 348 HA GLU 40 HA GLU 40 13.208 12.206 -6.022 349 HB2 GLU 40 HB2 GLU 40 14.026 10.499 -7.542 350 HB3 GLU 40 HB1 GLU 40 13.972 9.277 -6.281 351 HG2 GLU 40 HG2 GLU 40 11.501 9.428 -6.259 352 HG3 GLU 40 HG1 GLU 40 11.577 10.634 -7.548 353 H HIS 41 HN HIS 41 14.046 9.628 -3.687 354 HA HIS 41 HA HIS 41 11.429 9.000 -2.850 355 HB2 HIS 41 HB2 HIS 41 12.398 7.516 -1.365 356 HB3 HIS 41 HB1 HIS 41 13.707 7.723 -2.513 357 HD1 HIS 41 HD1 HIS 41 15.172 10.126 -1.535 358 HD2 HIS 41 HD2 HIS 41 13.504 7.402 1.078 359 HE1 HIS 41 HE1 HIS 41 16.442 10.401 0.604 360 HE2 HIS 41 HE2 HIS 41 15.572 8.554 2.072 361 H ILE 42 HN ILE 42 13.277 11.768 -2.009 362 HA ILE 42 HA ILE 42 12.392 12.280 0.651 363 HB ILE 42 HB ILE 42 13.319 14.261 -1.493 364 HG12 ILE 42 HG12 ILE 42 15.006 12.433 -0.897 365 HG13 ILE 42 HG11 ILE 42 15.566 14.080 -0.647 366 HG21 ILE 42 HG21 ILE 42 13.878 15.770 0.403 367 HG22 ILE 42 HG22 ILE 42 13.119 14.631 1.518 368 HG23 ILE 42 HG23 ILE 42 12.149 15.440 0.285 369 HD11 ILE 42 HD11 ILE 42 16.265 12.578 1.144 370 HD12 ILE 42 HD12 ILE 42 14.580 12.225 1.525 371 HD13 ILE 42 HD13 ILE 42 15.214 13.858 1.753 372 H LEU 43 HN LEU 43 10.243 12.576 1.192 373 HA LEU 43 HA LEU 43 8.267 13.354 -0.814 374 HB2 LEU 43 HB2 LEU 43 7.858 12.883 2.169 375 HB3 LEU 43 HB1 LEU 43 6.605 12.953 0.934 376 HG LEU 43 HG LEU 43 8.689 10.765 1.302 377 HD11 LEU 43 HD11 LEU 43 6.839 10.681 2.898 378 HD12 LEU 43 HD12 LEU 43 6.767 9.336 1.771 379 HD13 LEU 43 HD13 LEU 43 5.669 10.703 1.577 380 HD21 LEU 43 HD21 LEU 43 7.563 9.594 -0.552 381 HD22 LEU 43 HD22 LEU 43 8.363 11.069 -1.072 382 HD23 LEU 43 HD23 LEU 43 6.607 11.039 -0.882 383 H ASP 44 HN ASP 44 10.277 15.067 1.270 384 HA ASP 44 HA ASP 44 8.517 17.393 1.538 385 HB2 ASP 44 HB2 ASP 44 7.966 16.021 3.494 386 HB3 ASP 44 HB1 ASP 44 9.670 15.775 3.863 387 HA PRO 45 HA PRO 45 12.666 19.057 0.523 388 HB2 PRO 45 HB2 PRO 45 12.016 21.735 0.668 389 HB3 PRO 45 HB1 PRO 45 11.641 20.716 -0.729 390 HG2 PRO 45 HG2 PRO 45 9.854 21.490 1.589 391 HG3 PRO 45 HG1 PRO 45 9.490 21.498 -0.154 392 HD2 PRO 45 HD2 PRO 45 8.658 19.483 1.414 393 HD3 PRO 45 HD1 PRO 45 9.226 19.166 -0.239 394 H ARG 46 HN ARG 46 10.783 19.987 3.316 395 HA ARG 46 HA ARG 46 12.721 21.593 4.657 396 HB2 ARG 46 HB2 ARG 46 10.389 20.110 5.942 397 HB3 ARG 46 HB1 ARG 46 11.155 21.594 6.513 398 HG2 ARG 46 HG2 ARG 46 10.148 22.898 4.794 399 HG3 ARG 46 HG1 ARG 46 9.719 21.473 3.847 400 HD2 ARG 46 HD2 ARG 46 8.099 20.812 5.625 401 HD3 ARG 46 HD1 ARG 46 8.490 22.294 6.499 402 HE ARG 46 HE ARG 46 7.488 23.574 4.747 403 HH11 ARG 46 HH11 ARG 46 6.900 20.116 4.412 404 HH12 ARG 46 HH12 ARG 46 5.527 20.345 3.375 405 HH21 ARG 46 HH21 ARG 46 5.704 23.853 3.387 406 HH22 ARG 46 HH22 ARG 46 4.849 22.460 2.801 407 H LEU 47 HN LEU 47 12.195 18.172 4.438 408 HA LEU 47 HA LEU 47 13.589 17.148 6.645 409 HB2 LEU 47 HB2 LEU 47 12.252 15.723 5.234 410 HB3 LEU 47 HB1 LEU 47 13.183 16.141 3.811 411 HG LEU 47 HG LEU 47 15.092 14.831 4.610 412 HD11 LEU 47 HD11 LEU 47 14.911 15.143 7.011 413 HD12 LEU 47 HD12 LEU 47 14.955 13.426 6.619 414 HD13 LEU 47 HD13 LEU 47 13.423 14.190 7.052 415 HD21 LEU 47 HD21 LEU 47 14.122 12.581 4.431 416 HD22 LEU 47 HD22 LEU 47 13.369 13.678 3.274 417 HD23 LEU 47 HD23 LEU 47 12.512 13.230 4.753 418 H VAL 48 HN VAL 48 14.831 17.941 3.387 419 HA VAL 48 HA VAL 48 17.606 17.433 4.081 420 HB VAL 48 HB VAL 48 16.490 18.783 1.576 421 HG11 VAL 48 HG11 VAL 48 18.603 18.062 0.500 422 HG12 VAL 48 HG12 VAL 48 19.166 17.404 2.038 423 HG13 VAL 48 HG13 VAL 48 18.910 19.141 1.866 424 HG21 VAL 48 HG21 VAL 48 16.573 16.566 0.483 425 HG22 VAL 48 HG22 VAL 48 15.457 16.557 1.850 426 HG23 VAL 48 HG23 VAL 48 17.054 15.820 2.010 427 H MET 49 HN MET 49 15.470 20.181 3.730 428 HA MET 49 HA MET 49 17.399 22.269 3.823 429 HB2 MET 49 HB2 MET 49 14.399 22.264 4.344 430 HB3 MET 49 HB1 MET 49 15.381 23.739 4.297 431 HG2 MET 49 HG2 MET 49 14.861 21.794 2.039 432 HG3 MET 49 HG1 MET 49 14.244 23.440 2.193 433 HE1 MET 49 HE1 MET 49 16.747 23.540 -0.878 434 HE2 MET 49 HE2 MET 49 15.067 23.715 -0.374 435 HE3 MET 49 HE3 MET 49 15.821 22.120 -0.392 436 H ALA 50 HN ALA 50 15.738 20.432 6.343 437 HA ALA 50 HA ALA 50 16.464 22.194 8.524 438 HB1 ALA 50 HB1 ALA 50 14.500 20.715 8.713 439 HB2 ALA 50 HB2 ALA 50 15.658 20.403 10.008 440 HB3 ALA 50 HB3 ALA 50 15.548 19.300 8.630 441 H TYR 51 HN TYR 51 17.906 19.399 6.945 442 HA TYR 51 HA TYR 51 19.895 18.697 8.815 443 HB2 TYR 51 HB2 TYR 51 19.392 17.232 6.932 444 HB3 TYR 51 HB1 TYR 51 19.849 18.477 5.774 445 HD1 TYR 51 HD2 TYR 51 21.431 16.729 8.724 446 HD2 TYR 51 HD1 TYR 51 21.926 18.111 4.710 447 HE1 TYR 51 HE2 TYR 51 23.715 15.834 8.698 448 HE2 TYR 51 HE1 TYR 51 24.219 17.220 4.683 449 HH TYR 51 HH TYR 51 26.019 16.676 6.447 450 H GLU 52 HN GLU 52 20.020 20.895 6.029 451 HA GLU 52 HA GLU 52 22.674 21.916 6.703 452 HB2 GLU 52 HB2 GLU 52 20.733 22.659 4.474 453 HB3 GLU 52 HB1 GLU 52 22.417 23.173 4.589 454 HG2 GLU 52 HG2 GLU 52 23.228 20.959 4.203 455 HG3 GLU 52 HG1 GLU 52 21.624 20.251 4.425 456 H GLU 53 HN GLU 53 19.488 22.633 7.540 457 HA GLU 53 HA GLU 53 18.366 24.287 8.545 458 HB2 GLU 53 HB2 GLU 53 21.147 25.243 9.347 459 HB3 GLU 53 HB1 GLU 53 19.639 25.862 10.024 460 HG2 GLU 53 HG2 GLU 53 19.097 23.592 10.865 461 HG3 GLU 53 HG1 GLU 53 20.627 22.997 10.217 462 H LYS 54 HN LYS 54 18.800 24.544 5.804 463 HA LYS 54 HA LYS 54 19.481 27.186 5.005 464 HB2 LYS 54 HB2 LYS 54 19.445 25.204 3.438 465 HB3 LYS 54 HB1 LYS 54 17.694 25.184 3.544 466 HG2 LYS 54 HG2 LYS 54 17.773 26.454 1.656 467 HG3 LYS 54 HG1 LYS 54 18.097 27.788 2.758 468 HD2 LYS 54 HD2 LYS 54 20.128 26.191 1.140 469 HD3 LYS 54 HD1 LYS 54 19.683 27.881 0.920 470 HE2 LYS 54 HE2 LYS 54 20.720 28.440 3.075 471 HE3 LYS 54 HE1 LYS 54 21.118 26.743 3.342 472 HZ1 LYS 54 HZ1 LYS 54 22.154 28.427 1.132 473 HZ2 LYS 54 HZ2 LYS 54 22.562 26.811 1.427 474 HZ3 LYS 54 HZ3 LYS 54 22.996 28.007 2.537 475 H GLU 55 HN GLU 55 18.402 28.900 5.713 476 HA GLU 55 HA GLU 55 15.546 28.806 6.389 477 HB2 GLU 55 HB2 GLU 55 17.610 31.020 6.788 478 HB3 GLU 55 HB1 GLU 55 15.975 30.995 7.453 479 HG2 GLU 55 HG2 GLU 55 16.559 29.015 8.802 480 HG3 GLU 55 HG1 GLU 55 18.191 29.034 8.133 481 H GLU 56 HN GLU 56 17.419 29.545 3.700 482 HA GLU 56 HA GLU 56 15.772 31.761 2.708 483 HB2 GLU 56 HB2 GLU 56 18.143 30.517 1.258 484 HB3 GLU 56 HB1 GLU 56 17.430 32.101 1.016 485 HG2 GLU 56 HG2 GLU 56 19.251 32.786 2.198 486 HG3 GLU 56 HG1 GLU 56 18.219 32.422 3.574 487 H1 ALA 1 HT1 ALA 1 -1.452 21.875 14.658 488 H2 ALA 1 HT2 ALA 1 -0.362 22.685 13.654 489 H3 ALA 1 HT3 ALA 1 0.158 22.067 15.138 490 HA ALA 1 HA ALA 1 -0.173 19.833 14.414 491 HB1 ALA 1 HB1 ALA 1 -2.117 20.230 12.961 492 HB2 ALA 1 HB2 ALA 1 -0.864 19.342 12.092 493 HB3 ALA 1 HB3 ALA 1 -1.089 21.067 11.793 494 H ARG 2 HN ARG 2 1.247 18.733 12.632 495 HA ARG 2 HA ARG 2 3.534 20.382 11.810 496 HB2 ARG 2 HB2 ARG 2 5.129 18.609 12.623 497 HB3 ARG 2 HB1 ARG 2 4.331 19.498 13.910 498 HG2 ARG 2 HG2 ARG 2 3.288 16.799 13.013 499 HG3 ARG 2 HG1 ARG 2 4.638 16.920 14.141 500 HD2 ARG 2 HD2 ARG 2 3.249 18.133 15.737 501 HD3 ARG 2 HD1 ARG 2 1.901 18.162 14.598 502 HE ARG 2 HE ARG 2 1.884 15.670 14.783 503 HH11 ARG 2 HH11 ARG 2 3.316 17.491 17.448 504 HH12 ARG 2 HH12 ARG 2 2.854 16.319 18.637 505 HH21 ARG 2 HH21 ARG 2 1.273 14.167 16.386 506 HH22 ARG 2 HH22 ARG 2 1.705 14.450 18.042 507 H THR 3 HN THR 3 4.476 19.742 9.901 508 HA THR 3 HA THR 3 2.999 18.012 8.160 509 HB THR 3 HB THR 3 4.886 18.464 6.515 510 HG1 THR 3 HG1 THR 3 6.452 18.768 8.334 511 HG21 THR 3 HG21 THR 3 2.951 20.010 6.602 512 HG22 THR 3 HG22 THR 3 4.442 20.874 6.226 513 HG23 THR 3 HG23 THR 3 3.766 20.960 7.854 514 H LYS 4 HN LYS 4 3.756 16.098 7.128 515 HA LYS 4 HA LYS 4 5.267 14.343 8.887 516 HB2 LYS 4 HB2 LYS 4 3.806 13.799 6.263 517 HB3 LYS 4 HB1 LYS 4 4.718 12.572 7.127 518 HG2 LYS 4 HG2 LYS 4 2.456 12.210 7.704 519 HG3 LYS 4 HG1 LYS 4 3.191 12.970 9.116 520 HD2 LYS 4 HD2 LYS 4 2.216 15.164 8.376 521 HD3 LYS 4 HD1 LYS 4 1.422 14.318 7.041 522 HE2 LYS 4 HE2 LYS 4 0.228 12.893 8.726 523 HE3 LYS 4 HE1 LYS 4 0.948 13.871 10.010 524 HZ1 LYS 4 HZ1 LYS 4 -1.266 14.601 9.507 525 HZ2 LYS 4 HZ2 LYS 4 -0.870 14.837 7.882 526 HZ3 LYS 4 HZ3 LYS 4 -0.169 15.806 9.072 527 H GLN 5 HN GLN 5 7.365 15.390 8.713 528 HA GLN 5 HA GLN 5 8.953 15.152 6.373 529 HB2 GLN 5 HB2 GLN 5 9.635 15.183 9.337 530 HB3 GLN 5 HB1 GLN 5 10.879 14.784 8.158 531 HG2 GLN 5 HG2 GLN 5 11.058 17.120 8.710 532 HG3 GLN 5 HG1 GLN 5 10.512 16.971 7.044 533 HE21 GLN 5 HE21 GLN 5 9.574 18.978 6.920 534 HE22 GLN 5 HE22 GLN 5 8.186 19.463 7.824 535 H THR 6 HN THR 6 8.688 13.330 5.266 536 HA THR 6 HA THR 6 9.431 10.742 6.420 537 HB THR 6 HB THR 6 7.459 9.734 5.014 538 HG1 THR 6 HG1 THR 6 6.509 12.398 5.400 539 HG21 THR 6 HG21 THR 6 7.487 9.614 7.486 540 HG22 THR 6 HG22 THR 6 5.854 9.906 6.883 541 HG23 THR 6 HG23 THR 6 6.786 11.235 7.576 542 H ALA 7 HN ALA 7 9.832 9.121 4.747 543 HA ALA 7 HA ALA 7 10.511 10.109 2.081 544 HB1 ALA 7 HB1 ALA 7 12.479 10.661 3.483 545 HB2 ALA 7 HB2 ALA 7 12.862 9.452 2.264 546 HB3 ALA 7 HB3 ALA 7 12.630 8.963 3.945 547 H ARG 8 HN ARG 8 10.486 8.468 0.561 548 HA ARG 8 HA ARG 8 9.277 5.940 1.136 549 HB2 ARG 8 HB2 ARG 8 10.621 7.084 -1.343 550 HB3 ARG 8 HB1 ARG 8 9.853 5.499 -1.342 551 HG2 ARG 8 HG2 ARG 8 8.296 7.959 -0.547 552 HG3 ARG 8 HG1 ARG 8 8.568 7.591 -2.253 553 HD2 ARG 8 HD2 ARG 8 7.470 5.398 -1.944 554 HD3 ARG 8 HD1 ARG 8 7.219 5.770 -0.236 555 HE ARG 8 HE ARG 8 5.603 7.381 -0.808 556 HH11 ARG 8 HH11 ARG 8 6.812 5.750 -3.697 557 HH12 ARG 8 HH12 ARG 8 5.478 6.271 -4.673 558 HH21 ARG 8 HH21 ARG 8 3.870 8.036 -2.119 559 HH22 ARG 8 HH22 ARG 8 3.826 7.563 -3.788 560 H M3L 9 HN M3L 9 10.288 3.858 0.236 561 HA M3L 9 HA M3L 9 13.240 3.917 0.022 562 HB2 M3L 9 HB2 M3L 9 11.590 1.691 1.316 563 HB3 M3L 9 HB1 M3L 9 13.270 1.507 0.804 564 HG2 M3L 9 HG2 M3L 9 13.860 3.422 2.356 565 HG3 M3L 9 HG1 M3L 9 12.206 3.334 2.983 566 HD2 M3L 9 HD2 M3L 9 12.634 0.939 3.625 567 HD3 M3L 9 HD1 M3L 9 14.305 1.124 3.069 568 HE2 M3L 9 HE2 M3L 9 14.598 2.977 4.747 569 HE3 M3L 9 HE1 M3L 9 12.969 2.655 5.344 570 HM11 M3L 9 HH33 M3L 9 13.880 2.267 7.635 571 HM12 M3L 9 HH31 M3L 9 15.513 2.597 7.046 572 HM13 M3L 9 HH32 M3L 9 15.168 1.087 7.897 573 HM21 M3L 9 HH11 M3L 9 15.480 0.047 4.340 574 HM22 M3L 9 HH12 M3L 9 16.112 -0.199 5.970 575 HM23 M3L 9 HH13 M3L 9 16.444 1.311 5.111 576 HM31 M3L 9 HH21 M3L 9 12.493 0.472 6.554 577 HM32 M3L 9 HH22 M3L 9 13.799 -0.688 6.818 578 HM33 M3L 9 HH23 M3L 9 13.141 -0.451 5.195 579 H SER 10 HN SER 10 13.961 1.863 -1.230 580 HA SER 10 HA SER 10 12.885 1.759 -3.808 581 HB2 SER 10 HB2 SER 10 15.182 1.006 -3.181 582 HB3 SER 10 HB1 SER 10 14.495 -0.407 -2.380 583 HG SER 10 HG SER 10 15.303 -0.632 -4.638 584 H THR 11 HN THR 11 12.164 -0.146 -0.942 585 HA THR 11 HA THR 11 10.558 -1.604 -0.309 586 HB THR 11 HB THR 11 8.895 -0.656 -2.691 587 HG1 THR 11 HG1 THR 11 9.670 1.170 -1.579 588 HG21 THR 11 HG21 THR 11 8.011 -1.529 0.100 589 HG22 THR 11 HG22 THR 11 7.867 -2.514 -1.360 590 HG23 THR 11 HG23 THR 11 6.954 -1.011 -1.208 591 H GLY 12 HN GLY 12 12.629 -2.368 -2.345 592 HA2 GLY 12 HA2 GLY 12 13.172 -4.372 -3.449 593 HA3 GLY 12 HA1 GLY 12 11.463 -4.782 -3.550 594 H GLY 13 HN GLY 13 10.245 -4.060 -5.312 595 HA2 GLY 13 HA2 GLY 13 9.723 -3.095 -7.346 596 HA3 GLY 13 HA1 GLY 13 11.081 -2.002 -7.134 597 H LYS 14 HN LYS 14 9.931 -4.858 -8.667 598 HA LYS 14 HA LYS 14 10.727 -6.417 -10.081 599 HB2 LYS 14 HB2 LYS 14 12.934 -4.379 -10.602 600 HB3 LYS 14 HB1 LYS 14 12.695 -5.843 -11.556 601 HG2 LYS 14 HG2 LYS 14 10.465 -5.022 -12.260 602 HG3 LYS 14 HG1 LYS 14 10.692 -3.570 -11.282 603 HD2 LYS 14 HD2 LYS 14 11.149 -3.082 -13.635 604 HD3 LYS 14 HD1 LYS 14 12.628 -2.920 -12.685 605 HE2 LYS 14 HE2 LYS 14 13.341 -5.181 -13.457 606 HE3 LYS 14 HE1 LYS 14 11.875 -5.295 -14.436 607 HZ1 LYS 14 HZ1 LYS 14 13.706 -4.606 -15.793 608 HZ2 LYS 14 HZ2 LYS 14 14.071 -3.324 -14.754 609 HZ3 LYS 14 HZ3 LYS 14 12.630 -3.309 -15.642 610 H ALA 15 HN ALA 15 11.629 -6.279 -7.241 611 HA ALA 15 HA ALA 15 13.533 -8.483 -7.303 612 HB1 ALA 15 HB1 ALA 15 15.012 -6.511 -7.148 613 HB2 ALA 15 HB2 ALA 15 15.045 -7.426 -5.638 614 HB3 ALA 15 HB3 ALA 15 14.115 -5.927 -5.746 Start of MODEL 5 1 H1 GLY 1 HT1 GLY 1 8.364 -3.888 -1.410 2 H2 GLY 1 HT2 GLY 1 9.315 -2.780 -0.559 3 H3 GLY 1 HT3 GLY 1 9.179 -2.664 -2.239 4 HA2 GLY 1 HA1 GLY 1 6.855 -2.124 -2.074 5 HA3 GLY 1 HA2 GLY 1 6.939 -2.311 -0.326 6 H GLU 2 HN GLU 2 6.137 0.050 -1.856 7 HA GLU 2 HA GLU 2 8.207 2.050 -1.557 8 HB2 GLU 2 HB2 GLU 2 5.219 2.319 -2.117 9 HB3 GLU 2 HB1 GLU 2 6.373 3.653 -2.161 10 HG2 GLU 2 HG2 GLU 2 7.573 2.594 -4.022 11 HG3 GLU 2 HG1 GLU 2 6.505 1.193 -3.949 12 H GLN 3 HN GLN 3 8.721 1.546 0.623 13 HA GLN 3 HA GLN 3 6.749 1.905 2.721 14 HB2 GLN 3 HB2 GLN 3 9.665 1.040 2.879 15 HB3 GLN 3 HB1 GLN 3 8.530 1.057 4.231 16 HG2 GLN 3 HG2 GLN 3 7.107 -0.578 2.961 17 HG3 GLN 3 HG1 GLN 3 8.379 -0.683 1.747 18 HE21 GLN 3 HE21 GLN 3 7.275 -2.777 3.458 19 HE22 GLN 3 HE22 GLN 3 8.599 -3.422 4.360 20 H VAL 4 HN VAL 4 6.397 3.811 3.576 21 HA VAL 4 HA VAL 4 8.586 5.793 3.853 22 HB VAL 4 HB VAL 4 6.782 7.534 4.024 23 HG11 VAL 4 HG11 VAL 4 6.739 5.930 1.435 24 HG12 VAL 4 HG12 VAL 4 7.922 7.160 1.878 25 HG13 VAL 4 HG13 VAL 4 6.242 7.616 1.612 26 HG21 VAL 4 HG21 VAL 4 4.461 7.017 3.304 27 HG22 VAL 4 HG22 VAL 4 4.893 6.121 4.763 28 HG23 VAL 4 HG23 VAL 4 4.875 5.300 3.201 29 H PHE 5 HN PHE 5 9.271 6.166 5.850 30 HA PHE 5 HA PHE 5 7.569 5.512 8.197 31 HB2 PHE 5 HB2 PHE 5 10.504 4.822 7.710 32 HB3 PHE 5 HB1 PHE 5 9.852 4.931 9.341 33 HD1 PHE 5 HD2 PHE 5 9.124 3.214 6.061 34 HD2 PHE 5 HD1 PHE 5 9.017 2.971 10.328 35 HE1 PHE 5 HE2 PHE 5 8.338 0.890 5.916 36 HE2 PHE 5 HE1 PHE 5 8.234 0.647 10.169 37 HZ PHE 5 HZ PHE 5 7.893 -0.393 7.967 38 H ALA 6 HN ALA 6 8.204 6.677 10.157 39 HA ALA 6 HA ALA 6 8.560 9.469 9.762 40 HB1 ALA 6 HB1 ALA 6 8.747 7.876 12.346 41 HB2 ALA 6 HB2 ALA 6 7.274 8.574 11.671 42 HB3 ALA 6 HB3 ALA 6 8.576 9.631 12.220 43 H VAL 7 HN VAL 7 10.405 10.350 9.187 44 HA VAL 7 HA VAL 7 12.983 9.134 9.484 45 HB VAL 7 HB VAL 7 13.864 11.147 8.373 46 HG11 VAL 7 HG11 VAL 7 12.609 11.018 6.240 47 HG12 VAL 7 HG12 VAL 7 11.295 10.172 7.061 48 HG13 VAL 7 HG13 VAL 7 12.887 9.417 6.933 49 HG21 VAL 7 HG21 VAL 7 11.067 12.317 8.708 50 HG22 VAL 7 HG22 VAL 7 12.360 13.046 7.760 51 HG23 VAL 7 HG23 VAL 7 12.543 12.877 9.502 52 H GLU 8 HN GLU 8 14.720 9.882 10.656 53 HA GLU 8 HA GLU 8 14.293 11.599 12.980 54 HB2 GLU 8 HB2 GLU 8 15.690 9.499 13.104 55 HB3 GLU 8 HB1 GLU 8 16.826 10.225 11.980 56 HG2 GLU 8 HG2 GLU 8 17.656 10.389 14.262 57 HG3 GLU 8 HG1 GLU 8 17.337 11.993 13.594 58 H SER 9 HN SER 9 16.664 11.399 10.318 59 HA SER 9 HA SER 9 16.407 14.100 9.413 60 HB2 SER 9 HB2 SER 9 18.931 13.382 10.995 61 HB3 SER 9 HB1 SER 9 18.765 14.817 9.983 62 HG SER 9 HG SER 9 17.361 14.196 12.371 63 H ILE 10 HN ILE 10 18.175 14.509 7.691 64 HA ILE 10 HA ILE 10 19.056 12.129 6.269 65 HB ILE 10 HB ILE 10 19.934 15.037 5.885 66 HG12 ILE 10 HG12 ILE 10 17.498 14.793 5.529 67 HG13 ILE 10 HG11 ILE 10 18.329 15.187 4.032 68 HG21 ILE 10 HG21 ILE 10 21.546 13.477 4.913 69 HG22 ILE 10 HG22 ILE 10 20.688 14.338 3.633 70 HG23 ILE 10 HG23 ILE 10 20.261 12.666 4.011 71 HD11 ILE 10 HD11 ILE 10 16.595 13.570 3.646 72 HD12 ILE 10 HD12 ILE 10 17.284 12.475 4.842 73 HD13 ILE 10 HD13 ILE 10 18.163 12.824 3.350 74 H ARG 11 HN ARG 11 20.722 10.965 7.064 75 HA ARG 11 HA ARG 11 22.568 11.888 9.048 76 HB2 ARG 11 HB2 ARG 11 21.676 9.463 8.613 77 HB3 ARG 11 HB1 ARG 11 22.922 9.356 7.386 78 HG2 ARG 11 HG2 ARG 11 23.412 9.825 10.357 79 HG3 ARG 11 HG1 ARG 11 23.544 8.271 9.538 80 HD2 ARG 11 HD2 ARG 11 25.373 9.248 8.121 81 HD3 ARG 11 HD1 ARG 11 25.273 10.725 9.087 82 HE ARG 11 HE ARG 11 25.782 8.218 10.513 83 HH11 ARG 11 HH11 ARG 11 27.082 11.260 9.312 84 HH12 ARG 11 HH12 ARG 11 28.587 11.074 10.147 85 HH21 ARG 11 HH21 ARG 11 27.763 8.003 11.581 86 HH22 ARG 11 HH22 ARG 11 28.979 9.224 11.420 87 H LYS 12 HN LYS 12 23.006 10.896 5.603 88 HA LYS 12 HA LYS 12 25.260 12.807 5.330 89 HB2 LYS 12 HB2 LYS 12 25.240 9.900 4.397 90 HB3 LYS 12 HB1 LYS 12 26.414 11.094 3.839 91 HG2 LYS 12 HG2 LYS 12 27.227 11.388 6.143 92 HG3 LYS 12 HG1 LYS 12 26.041 10.212 6.714 93 HD2 LYS 12 HD2 LYS 12 27.125 8.442 5.409 94 HD3 LYS 12 HD1 LYS 12 28.264 9.611 4.730 95 HE2 LYS 12 HE2 LYS 12 28.051 8.859 7.670 96 HE3 LYS 12 HE1 LYS 12 29.290 8.294 6.547 97 HZ1 LYS 12 HZ1 LYS 12 28.845 11.112 7.381 98 HZ2 LYS 12 HZ2 LYS 12 29.999 10.608 6.255 99 HZ3 LYS 12 HZ3 LYS 12 30.120 10.114 7.868 100 H LYS 13 HN LYS 13 25.790 13.262 3.065 101 HA LYS 13 HA LYS 13 23.636 13.026 1.102 102 HB2 LYS 13 HB2 LYS 13 22.952 15.038 2.329 103 HB3 LYS 13 HB1 LYS 13 24.585 15.694 2.261 104 HG2 LYS 13 HG2 LYS 13 24.412 15.960 -0.167 105 HG3 LYS 13 HG1 LYS 13 22.815 15.214 -0.154 106 HD2 LYS 13 HD2 LYS 13 21.983 17.128 1.251 107 HD3 LYS 13 HD1 LYS 13 23.582 17.876 1.114 108 HE2 LYS 13 HE2 LYS 13 23.325 17.937 -1.352 109 HE3 LYS 13 HE1 LYS 13 21.723 17.216 -1.197 110 HZ1 LYS 13 HZ1 LYS 13 21.056 19.178 0.081 111 HZ2 LYS 13 HZ2 LYS 13 21.549 19.565 -1.487 112 HZ3 LYS 13 HZ3 LYS 13 22.578 19.863 -0.178 113 H ARG 14 HN ARG 14 24.454 13.104 -0.967 114 HA ARG 14 HA ARG 14 27.153 13.957 -1.590 115 HB2 ARG 14 HB2 ARG 14 28.039 11.733 -2.107 116 HB3 ARG 14 HB1 ARG 14 27.524 11.771 -0.421 117 HG2 ARG 14 HG2 ARG 14 25.387 10.640 -1.104 118 HG3 ARG 14 HG1 ARG 14 26.029 10.502 -2.746 119 HD2 ARG 14 HD2 ARG 14 27.192 9.269 -0.231 120 HD3 ARG 14 HD1 ARG 14 26.335 8.414 -1.521 121 HE ARG 14 HE ARG 14 28.905 9.816 -1.985 122 HH11 ARG 14 HH11 ARG 14 26.877 6.989 -2.453 123 HH12 ARG 14 HH12 ARG 14 28.128 6.080 -3.237 124 HH21 ARG 14 HH21 ARG 14 30.516 8.617 -3.043 125 HH22 ARG 14 HH22 ARG 14 30.186 6.997 -3.554 126 H VAL 15 HN VAL 15 27.692 13.157 -3.925 127 HA VAL 15 HA VAL 15 25.289 12.601 -5.560 128 HB VAL 15 HB VAL 15 27.613 14.322 -6.560 129 HG11 VAL 15 HG11 VAL 15 24.864 13.794 -7.775 130 HG12 VAL 15 HG12 VAL 15 26.388 13.091 -8.323 131 HG13 VAL 15 HG13 VAL 15 26.118 14.829 -8.470 132 HG21 VAL 15 HG21 VAL 15 24.905 15.323 -5.589 133 HG22 VAL 15 HG22 VAL 15 26.131 16.305 -6.394 134 HG23 VAL 15 HG23 VAL 15 26.463 15.607 -4.807 135 H ARG 16 HN ARG 16 25.540 10.663 -6.440 136 HA ARG 16 HA ARG 16 28.092 9.692 -7.480 137 HB2 ARG 16 HB2 ARG 16 27.938 8.919 -5.102 138 HB3 ARG 16 HB1 ARG 16 26.390 8.172 -5.458 139 HG2 ARG 16 HG2 ARG 16 28.124 6.488 -5.366 140 HG3 ARG 16 HG1 ARG 16 27.483 6.603 -7.004 141 HD2 ARG 16 HD2 ARG 16 29.444 7.763 -7.777 142 HD3 ARG 16 HD1 ARG 16 30.042 7.981 -6.128 143 HE ARG 16 HE ARG 16 30.350 5.560 -6.014 144 HH11 ARG 16 HH11 ARG 16 30.173 6.935 -9.256 145 HH12 ARG 16 HH12 ARG 16 31.020 5.606 -9.970 146 HH21 ARG 16 HH21 ARG 16 31.480 3.869 -6.966 147 HH22 ARG 16 HH22 ARG 16 31.757 3.866 -8.678 148 H LYS 17 HN LYS 17 27.808 8.438 -9.284 149 HA LYS 17 HA LYS 17 26.861 7.461 -11.111 150 HB2 LYS 17 HB2 LYS 17 24.478 6.878 -9.300 151 HB3 LYS 17 HB1 LYS 17 24.812 6.096 -10.841 152 HG2 LYS 17 HG2 LYS 17 26.641 4.861 -9.955 153 HG3 LYS 17 HG1 LYS 17 26.766 5.903 -8.533 154 HD2 LYS 17 HD2 LYS 17 24.452 4.000 -9.114 155 HD3 LYS 17 HD1 LYS 17 25.777 3.686 -7.989 156 HE2 LYS 17 HE2 LYS 17 25.075 5.573 -6.592 157 HE3 LYS 17 HE1 LYS 17 23.808 5.988 -7.749 158 HZ1 LYS 17 HZ1 LYS 17 22.716 3.914 -7.284 159 HZ2 LYS 17 HZ2 LYS 17 22.969 4.764 -5.845 160 HZ3 LYS 17 HZ3 LYS 17 23.953 3.446 -6.231 161 H GLY 18 HN GLY 18 26.415 10.316 -10.459 162 HA2 GLY 18 HA2 GLY 18 25.423 12.125 -11.484 163 HA3 GLY 18 HA1 GLY 18 24.470 11.023 -12.468 164 H LYS 19 HN LYS 19 24.130 10.244 -9.214 165 HA LYS 19 HA LYS 19 21.523 11.653 -9.019 166 HB2 LYS 19 HB2 LYS 19 22.328 8.851 -8.091 167 HB3 LYS 19 HB1 LYS 19 20.821 9.637 -7.620 168 HG2 LYS 19 HG2 LYS 19 21.617 9.037 -10.487 169 HG3 LYS 19 HG1 LYS 19 20.571 8.009 -9.498 170 HD2 LYS 19 HD2 LYS 19 18.956 9.889 -9.285 171 HD3 LYS 19 HD1 LYS 19 19.999 10.895 -10.297 172 HE2 LYS 19 HE2 LYS 19 18.699 8.297 -11.198 173 HE3 LYS 19 HE1 LYS 19 18.064 9.908 -11.527 174 HZ1 LYS 19 HZ1 LYS 19 19.299 9.074 -13.413 175 HZ2 LYS 19 HZ2 LYS 19 20.675 8.846 -12.462 176 HZ3 LYS 19 HZ3 LYS 19 20.105 10.407 -12.751 177 H VAL 20 HN VAL 20 21.224 12.891 -7.236 178 HA VAL 20 HA VAL 20 23.293 13.116 -5.214 179 HB VAL 20 HB VAL 20 20.564 14.483 -5.296 180 HG11 VAL 20 HG11 VAL 20 21.587 14.557 -3.054 181 HG12 VAL 20 HG12 VAL 20 21.554 16.166 -3.781 182 HG13 VAL 20 HG13 VAL 20 23.063 15.251 -3.736 183 HG21 VAL 20 HG21 VAL 20 21.714 16.434 -6.295 184 HG22 VAL 20 HG22 VAL 20 21.808 15.015 -7.342 185 HG23 VAL 20 HG23 VAL 20 23.210 15.503 -6.389 186 H GLU 21 HN GLU 21 23.385 11.654 -3.599 187 HA GLU 21 HA GLU 21 20.976 10.093 -2.897 188 HB2 GLU 21 HB2 GLU 21 23.899 9.399 -2.373 189 HB3 GLU 21 HB1 GLU 21 22.505 8.370 -2.052 190 HG2 GLU 21 HG2 GLU 21 22.051 8.392 -4.544 191 HG3 GLU 21 HG1 GLU 21 23.605 9.200 -4.752 192 H TYR 22 HN TYR 22 20.435 9.723 -0.776 193 HA TYR 22 HA TYR 22 21.718 11.345 1.337 194 HB2 TYR 22 HB2 TYR 22 18.706 10.896 1.046 195 HB3 TYR 22 HB1 TYR 22 19.510 11.894 2.255 196 HD1 TYR 22 HD1 TYR 22 21.356 13.563 0.778 197 HD2 TYR 22 HD2 TYR 22 17.442 12.297 -0.352 198 HE1 TYR 22 HE1 TYR 22 21.136 15.503 -0.694 199 HE2 TYR 22 HE2 TYR 22 17.238 14.258 -1.810 200 HH TYR 22 HH TYR 22 18.185 16.518 -1.985 201 H LEU 23 HN LEU 23 22.457 9.973 2.866 202 HA LEU 23 HA LEU 23 21.329 7.374 3.425 203 HB2 LEU 23 HB2 LEU 23 23.734 7.922 3.839 204 HB3 LEU 23 HB1 LEU 23 23.250 9.095 5.051 205 HG LEU 23 HG LEU 23 22.376 7.297 6.489 206 HD11 LEU 23 HD11 LEU 23 21.628 5.719 4.795 207 HD12 LEU 23 HD12 LEU 23 22.693 4.936 5.955 208 HD13 LEU 23 HD13 LEU 23 23.299 5.362 4.351 209 HD21 LEU 23 HD21 LEU 23 24.511 6.233 7.097 210 HD22 LEU 23 HD22 LEU 23 24.725 7.949 6.756 211 HD23 LEU 23 HD23 LEU 23 25.218 6.746 5.560 212 H VAL 24 HN VAL 24 19.155 7.806 3.790 213 HA VAL 24 HA VAL 24 18.274 9.824 5.637 214 HB VAL 24 HB VAL 24 16.683 7.658 4.155 215 HG11 VAL 24 HG11 VAL 24 15.655 10.080 5.732 216 HG12 VAL 24 HG12 VAL 24 15.450 8.386 6.189 217 HG13 VAL 24 HG13 VAL 24 14.665 9.009 4.736 218 HG21 VAL 24 HG21 VAL 24 16.030 9.518 2.669 219 HG22 VAL 24 HG22 VAL 24 17.778 9.267 2.658 220 HG23 VAL 24 HG23 VAL 24 17.086 10.619 3.558 221 H LYS 25 HN LYS 25 18.495 9.566 7.715 222 HA LYS 25 HA LYS 25 18.515 6.990 9.070 223 HB2 LYS 25 HB2 LYS 25 20.009 9.088 9.609 224 HB3 LYS 25 HB1 LYS 25 18.588 9.736 10.406 225 HG2 LYS 25 HG2 LYS 25 20.059 7.180 11.197 226 HG3 LYS 25 HG1 LYS 25 20.205 8.748 11.994 227 HD2 LYS 25 HD2 LYS 25 17.693 8.573 12.427 228 HD3 LYS 25 HD1 LYS 25 17.797 6.904 11.919 229 HE2 LYS 25 HE2 LYS 25 19.326 8.119 14.245 230 HE3 LYS 25 HE1 LYS 25 17.822 7.204 14.385 231 HZ1 LYS 25 HZ1 LYS 25 20.394 6.190 13.334 232 HZ2 LYS 25 HZ2 LYS 25 18.951 5.304 13.410 233 HZ3 LYS 25 HZ3 LYS 25 19.704 5.819 14.833 234 H TRP 26 HN TRP 26 16.795 6.158 10.133 235 HA TRP 26 HA TRP 26 14.214 7.604 10.076 236 HB2 TRP 26 HB2 TRP 26 14.661 4.597 10.371 237 HB3 TRP 26 HB1 TRP 26 13.160 5.426 9.955 238 HD1 TRP 26 HD1 TRP 26 16.445 4.216 8.423 239 HE1 TRP 26 HE1 TRP 26 16.321 4.416 5.863 240 HE3 TRP 26 HE3 TRP 26 12.023 6.762 7.998 241 HZ2 TRP 26 HZ2 TRP 26 14.609 5.497 3.919 242 HZ3 TRP 26 HZ3 TRP 26 11.209 7.337 5.745 243 HH2 TRP 26 HH2 TRP 26 12.476 6.717 3.744 244 H LYS 27 HN LYS 27 13.023 7.783 12.015 245 HA LYS 27 HA LYS 27 14.624 8.440 14.197 246 HB2 LYS 27 HB2 LYS 27 12.604 9.647 13.782 247 HB3 LYS 27 HB1 LYS 27 11.620 8.196 13.909 248 HG2 LYS 27 HG2 LYS 27 11.802 8.114 16.268 249 HG3 LYS 27 HG1 LYS 27 13.184 9.212 16.293 250 HD2 LYS 27 HD2 LYS 27 10.388 10.059 15.428 251 HD3 LYS 27 HD1 LYS 27 10.986 10.209 17.086 252 HE2 LYS 27 HE2 LYS 27 12.275 11.506 14.651 253 HE3 LYS 27 HE1 LYS 27 11.206 12.324 15.792 254 HZ1 LYS 27 HZ1 LYS 27 13.768 11.033 16.560 255 HZ2 LYS 27 HZ2 LYS 27 12.781 12.002 17.534 256 HZ3 LYS 27 HZ3 LYS 27 13.603 12.682 16.223 257 H GLY 28 HN GLY 28 12.139 5.848 14.167 258 HA2 GLY 28 HA2 GLY 28 13.012 4.854 16.763 259 HA3 GLY 28 HA1 GLY 28 11.673 4.259 15.798 260 H TRP 29 HN TRP 29 14.687 4.557 14.159 261 HA TRP 29 HA TRP 29 15.183 1.642 14.317 262 HB2 TRP 29 HB2 TRP 29 15.313 3.465 11.865 263 HB3 TRP 29 HB1 TRP 29 15.857 1.787 11.886 264 HD1 TRP 29 HD1 TRP 29 12.579 3.850 12.202 265 HE1 TRP 29 HE1 TRP 29 10.602 2.332 11.571 266 HE3 TRP 29 HE3 TRP 29 15.103 -0.562 11.579 267 HZ2 TRP 29 HZ2 TRP 29 10.164 -0.368 10.888 268 HZ3 TRP 29 HZ3 TRP 29 13.831 -2.565 10.916 269 HH2 TRP 29 HH2 TRP 29 11.409 -2.468 10.577 270 HA PRO 30 HA PRO 30 19.209 2.784 15.849 271 HB2 PRO 30 HB2 PRO 30 20.629 0.530 14.952 272 HB3 PRO 30 HB1 PRO 30 19.657 0.605 16.425 273 HG2 PRO 30 HG2 PRO 30 18.908 -0.445 13.711 274 HG3 PRO 30 HG1 PRO 30 18.576 -1.143 15.309 275 HD2 PRO 30 HD2 PRO 30 16.668 0.170 13.979 276 HD3 PRO 30 HD1 PRO 30 16.828 0.373 15.742 277 HA PRO 31 HA PRO 31 21.555 5.160 12.932 278 HB2 PRO 31 HB2 PRO 31 23.999 3.713 14.005 279 HB3 PRO 31 HB1 PRO 31 23.753 5.445 13.721 280 HG2 PRO 31 HG2 PRO 31 23.536 4.501 16.184 281 HG3 PRO 31 HG1 PRO 31 22.349 5.686 15.596 282 HD2 PRO 31 HD2 PRO 31 22.041 2.713 15.967 283 HD3 PRO 31 HD1 PRO 31 20.858 4.015 16.240 284 H LYS 32 HN LYS 32 22.585 1.713 12.960 285 HA LYS 32 HA LYS 32 23.767 1.910 10.307 286 HB2 LYS 32 HB2 LYS 32 24.338 -0.463 10.552 287 HB3 LYS 32 HB1 LYS 32 24.817 0.454 11.975 288 HG2 LYS 32 HG2 LYS 32 22.853 -0.403 13.196 289 HG3 LYS 32 HG1 LYS 32 22.360 -1.317 11.764 290 HD2 LYS 32 HD2 LYS 32 24.475 -2.619 11.887 291 HD3 LYS 32 HD1 LYS 32 24.942 -1.719 13.335 292 HE2 LYS 32 HE2 LYS 32 23.002 -2.637 14.538 293 HE3 LYS 32 HE1 LYS 32 22.489 -3.499 13.084 294 HZ1 LYS 32 HZ1 LYS 32 23.664 -4.960 14.578 295 HZ2 LYS 32 HZ2 LYS 32 25.013 -3.943 14.583 296 HZ3 LYS 32 HZ3 LYS 32 24.571 -4.751 13.164 297 H TYR 33 HN TYR 33 20.601 1.442 11.397 298 HA TYR 33 HA TYR 33 19.685 -0.038 9.021 299 HB2 TYR 33 HB2 TYR 33 18.297 0.900 11.558 300 HB3 TYR 33 HB1 TYR 33 17.365 0.353 10.170 301 HD1 TYR 33 HD1 TYR 33 20.558 -1.049 11.582 302 HD2 TYR 33 HD2 TYR 33 16.397 -1.701 10.864 303 HE1 TYR 33 HE1 TYR 33 20.788 -3.361 12.371 304 HE2 TYR 33 HE2 TYR 33 16.630 -4.019 11.650 305 HH TYR 33 HH TYR 33 18.379 -5.722 11.900 306 H SER 34 HN SER 34 20.635 3.017 9.415 307 HA SER 34 HA SER 34 18.658 4.507 7.984 308 HB2 SER 34 HB2 SER 34 21.675 4.968 8.114 309 HB3 SER 34 HB1 SER 34 20.446 6.164 7.682 310 HG SER 34 HG SER 34 21.382 5.606 10.071 311 H THR 35 HN THR 35 18.472 4.790 5.714 312 HA THR 35 HA THR 35 19.965 2.819 4.051 313 HB THR 35 HB THR 35 17.823 2.572 2.733 314 HG1 THR 35 HG1 THR 35 16.543 4.246 3.174 315 HG21 THR 35 HG21 THR 35 18.394 0.884 4.458 316 HG22 THR 35 HG22 THR 35 16.646 1.121 4.350 317 HG23 THR 35 HG23 THR 35 17.558 1.850 5.675 318 H TRP 36 HN TRP 36 20.398 3.384 1.889 319 HA TRP 36 HA TRP 36 20.690 6.264 1.376 320 HB2 TRP 36 HB2 TRP 36 21.932 3.824 0.013 321 HB3 TRP 36 HB1 TRP 36 22.182 5.477 -0.530 322 HD1 TRP 36 HD1 TRP 36 23.352 3.005 2.131 323 HE1 TRP 36 HE1 TRP 36 25.395 4.009 3.327 324 HE3 TRP 36 HE3 TRP 36 23.171 7.764 0.236 325 HZ2 TRP 36 HZ2 TRP 36 26.749 6.475 3.465 326 HZ3 TRP 36 HZ3 TRP 36 24.878 9.386 0.960 327 HH2 TRP 36 HH2 TRP 36 26.631 8.752 2.545 328 H GLU 37 HN GLU 37 19.128 7.186 0.164 329 HA GLU 37 HA GLU 37 18.364 5.903 -2.385 330 HB2 GLU 37 HB2 GLU 37 16.461 7.344 -0.517 331 HB3 GLU 37 HB1 GLU 37 16.066 6.914 -2.169 332 HG2 GLU 37 HG2 GLU 37 14.957 5.352 -0.846 333 HG3 GLU 37 HG1 GLU 37 16.365 4.486 -1.447 334 HA PRO 38 HA PRO 38 19.480 9.971 -4.072 335 HB2 PRO 38 HB2 PRO 38 17.486 9.547 -6.242 336 HB3 PRO 38 HB1 PRO 38 19.242 9.693 -6.350 337 HG2 PRO 38 HG2 PRO 38 17.950 7.350 -6.737 338 HG3 PRO 38 HG1 PRO 38 19.587 7.429 -6.057 339 HD2 PRO 38 HD2 PRO 38 16.963 6.985 -4.659 340 HD3 PRO 38 HD1 PRO 38 18.547 6.240 -4.352 341 H GLU 39 HN GLU 39 18.288 11.974 -5.069 342 HA GLU 39 HA GLU 39 16.585 13.075 -3.096 343 HB2 GLU 39 HB2 GLU 39 16.585 15.090 -4.439 344 HB3 GLU 39 HB1 GLU 39 18.183 14.360 -4.575 345 HG2 GLU 39 HG2 GLU 39 17.355 13.313 -6.766 346 HG3 GLU 39 HG1 GLU 39 15.961 14.376 -6.637 347 H GLU 40 HN GLU 40 15.832 11.136 -5.745 348 HA GLU 40 HA GLU 40 13.345 12.109 -6.642 349 HB2 GLU 40 HB2 GLU 40 14.530 9.305 -6.769 350 HB3 GLU 40 HB1 GLU 40 13.176 9.879 -7.748 351 HG2 GLU 40 HG2 GLU 40 14.598 11.472 -8.895 352 HG3 GLU 40 HG1 GLU 40 15.951 11.116 -7.820 353 H HIS 41 HN HIS 41 14.175 10.131 -3.853 354 HA HIS 41 HA HIS 41 11.399 9.248 -3.430 355 HB2 HIS 41 HB2 HIS 41 12.200 7.843 -1.745 356 HB3 HIS 41 HB1 HIS 41 13.516 7.858 -2.903 357 HD1 HIS 41 HD1 HIS 41 14.969 10.451 -1.931 358 HD2 HIS 41 HD2 HIS 41 13.559 7.443 0.540 359 HE1 HIS 41 HE1 HIS 41 16.401 10.545 0.131 360 HE2 HIS 41 HE2 HIS 41 15.720 8.493 1.420 361 H ILE 42 HN ILE 42 12.992 12.106 -2.758 362 HA ILE 42 HA ILE 42 12.216 12.619 -0.043 363 HB ILE 42 HB ILE 42 13.172 14.517 -2.239 364 HG12 ILE 42 HG12 ILE 42 14.844 12.816 -1.536 365 HG13 ILE 42 HG11 ILE 42 15.344 14.443 -1.090 366 HG21 ILE 42 HG21 ILE 42 13.619 16.177 -0.443 367 HG22 ILE 42 HG22 ILE 42 12.808 15.127 0.722 368 HG23 ILE 42 HG23 ILE 42 11.896 15.829 -0.616 369 HD11 ILE 42 HD11 ILE 42 14.681 14.016 1.226 370 HD12 ILE 42 HD12 ILE 42 15.851 12.831 0.649 371 HD13 ILE 42 HD13 ILE 42 14.151 12.393 0.777 372 H LEU 43 HN LEU 43 10.186 12.906 0.581 373 HA LEU 43 HA LEU 43 8.109 13.748 -1.303 374 HB2 LEU 43 HB2 LEU 43 7.902 12.768 1.570 375 HB3 LEU 43 HB1 LEU 43 6.545 13.047 0.482 376 HG LEU 43 HG LEU 43 8.716 10.936 0.133 377 HD11 LEU 43 HD11 LEU 43 5.787 10.644 0.854 378 HD12 LEU 43 HD12 LEU 43 7.176 10.344 1.902 379 HD13 LEU 43 HD13 LEU 43 6.897 9.317 0.501 380 HD21 LEU 43 HD21 LEU 43 6.318 11.536 -1.619 381 HD22 LEU 43 HD22 LEU 43 7.403 10.155 -1.789 382 HD23 LEU 43 HD23 LEU 43 8.016 11.783 -2.029 383 H ASP 44 HN ASP 44 10.131 15.305 0.925 384 HA ASP 44 HA ASP 44 8.413 17.658 1.020 385 HB2 ASP 44 HB2 ASP 44 7.890 16.100 3.043 386 HB3 ASP 44 HB1 ASP 44 9.476 16.552 3.653 387 HA PRO 45 HA PRO 45 12.509 19.479 0.389 388 HB2 PRO 45 HB2 PRO 45 11.864 22.120 0.950 389 HB3 PRO 45 HB1 PRO 45 11.502 21.321 -0.586 390 HG2 PRO 45 HG2 PRO 45 9.705 21.716 1.811 391 HG3 PRO 45 HG1 PRO 45 9.346 21.994 0.092 392 HD2 PRO 45 HD2 PRO 45 8.509 19.766 1.306 393 HD3 PRO 45 HD1 PRO 45 9.126 19.691 -0.364 394 H ARG 46 HN ARG 46 10.691 20.047 3.374 395 HA ARG 46 HA ARG 46 12.776 21.274 4.874 396 HB2 ARG 46 HB2 ARG 46 10.299 19.802 5.838 397 HB3 ARG 46 HB1 ARG 46 11.362 20.744 6.881 398 HG2 ARG 46 HG2 ARG 46 9.720 21.828 4.564 399 HG3 ARG 46 HG1 ARG 46 9.331 21.989 6.281 400 HD2 ARG 46 HD2 ARG 46 11.443 23.270 6.609 401 HD3 ARG 46 HD1 ARG 46 11.761 23.155 4.871 402 HE ARG 46 HE ARG 46 9.196 24.308 5.521 403 HH11 ARG 46 HH11 ARG 46 12.587 25.062 4.951 404 HH12 ARG 46 HH12 ARG 46 12.282 26.737 4.649 405 HH21 ARG 46 HH21 ARG 46 8.821 26.492 5.112 406 HH22 ARG 46 HH22 ARG 46 10.140 27.551 4.740 407 H LEU 47 HN LEU 47 12.293 17.999 3.963 408 HA LEU 47 HA LEU 47 13.607 16.642 6.076 409 HB2 LEU 47 HB2 LEU 47 12.204 15.548 4.345 410 HB3 LEU 47 HB1 LEU 47 13.406 15.912 3.122 411 HG LEU 47 HG LEU 47 14.960 14.311 4.037 412 HD11 LEU 47 HD11 LEU 47 14.493 12.978 6.067 413 HD12 LEU 47 HD12 LEU 47 13.081 13.990 6.388 414 HD13 LEU 47 HD13 LEU 47 14.698 14.697 6.411 415 HD21 LEU 47 HD21 LEU 47 13.153 13.386 2.623 416 HD22 LEU 47 HD22 LEU 47 12.190 13.063 4.065 417 HD23 LEU 47 HD23 LEU 47 13.716 12.211 3.814 418 H VAL 48 HN VAL 48 14.833 17.992 3.006 419 HA VAL 48 HA VAL 48 17.613 17.337 3.638 420 HB VAL 48 HB VAL 48 16.553 18.871 1.221 421 HG11 VAL 48 HG11 VAL 48 19.170 17.364 1.625 422 HG12 VAL 48 HG12 VAL 48 18.980 19.117 1.538 423 HG13 VAL 48 HG13 VAL 48 18.653 18.125 0.116 424 HG21 VAL 48 HG21 VAL 48 16.965 15.863 1.492 425 HG22 VAL 48 HG22 VAL 48 16.566 16.707 -0.007 426 HG23 VAL 48 HG23 VAL 48 15.414 16.692 1.329 427 H MET 49 HN MET 49 15.469 20.119 3.543 428 HA MET 49 HA MET 49 17.282 22.262 3.811 429 HB2 MET 49 HB2 MET 49 14.357 21.947 4.552 430 HB3 MET 49 HB1 MET 49 15.215 23.432 4.949 431 HG2 MET 49 HG2 MET 49 15.682 23.778 2.563 432 HG3 MET 49 HG1 MET 49 14.796 22.297 2.182 433 HE1 MET 49 HE1 MET 49 12.459 25.341 1.044 434 HE2 MET 49 HE2 MET 49 13.361 23.939 0.467 435 HE3 MET 49 HE3 MET 49 14.222 25.358 1.069 436 H ALA 50 HN ALA 50 15.528 20.389 6.297 437 HA ALA 50 HA ALA 50 16.474 21.806 8.568 438 HB1 ALA 50 HB1 ALA 50 14.461 20.368 8.647 439 HB2 ALA 50 HB2 ALA 50 15.618 19.924 9.904 440 HB3 ALA 50 HB3 ALA 50 15.469 18.936 8.445 441 H TYR 51 HN TYR 51 17.863 19.188 6.684 442 HA TYR 51 HA TYR 51 19.844 18.306 8.519 443 HB2 TYR 51 HB2 TYR 51 19.282 16.946 6.587 444 HB3 TYR 51 HB1 TYR 51 19.724 18.241 5.480 445 HD1 TYR 51 HD2 TYR 51 21.553 16.753 8.420 446 HD2 TYR 51 HD1 TYR 51 21.574 17.469 4.208 447 HE1 TYR 51 HE2 TYR 51 23.800 15.790 8.272 448 HE2 TYR 51 HE1 TYR 51 23.831 16.508 4.062 449 HH TYR 51 HH TYR 51 25.229 14.707 6.583 450 H GLU 52 HN GLU 52 20.005 20.614 5.794 451 HA GLU 52 HA GLU 52 22.812 21.197 6.274 452 HB2 GLU 52 HB2 GLU 52 20.846 22.320 4.228 453 HB3 GLU 52 HB1 GLU 52 22.591 22.603 4.228 454 HG2 GLU 52 HG2 GLU 52 23.018 20.228 3.898 455 HG3 GLU 52 HG1 GLU 52 21.294 19.870 4.003 456 H GLU 53 HN GLU 53 19.762 22.680 6.980 457 HA GLU 53 HA GLU 53 21.042 25.098 8.149 458 HB2 GLU 53 HB2 GLU 53 18.226 24.726 7.005 459 HB3 GLU 53 HB1 GLU 53 18.820 26.204 7.765 460 HG2 GLU 53 HG2 GLU 53 20.419 26.565 5.990 461 HG3 GLU 53 HG1 GLU 53 20.086 24.980 5.295 462 H LYS 54 HN LYS 54 20.931 22.640 9.441 463 HA LYS 54 HA LYS 54 18.866 22.279 11.287 464 HB2 LYS 54 HB2 LYS 54 20.324 20.756 12.459 465 HB3 LYS 54 HB1 LYS 54 20.602 20.563 10.735 466 HG2 LYS 54 HG2 LYS 54 22.409 22.067 12.658 467 HG3 LYS 54 HG1 LYS 54 22.676 20.428 12.067 468 HD2 LYS 54 HD2 LYS 54 22.911 21.298 9.764 469 HD3 LYS 54 HD1 LYS 54 22.621 22.939 10.349 470 HE2 LYS 54 HE2 LYS 54 24.684 22.759 11.750 471 HE3 LYS 54 HE1 LYS 54 24.986 21.160 11.055 472 HZ1 LYS 54 HZ1 LYS 54 25.128 22.159 8.880 473 HZ2 LYS 54 HZ2 LYS 54 26.234 22.896 9.925 474 HZ3 LYS 54 HZ3 LYS 54 24.798 23.692 9.517 475 H GLU 55 HN GLU 55 19.141 22.375 13.671 476 HA GLU 55 HA GLU 55 19.268 25.069 14.554 477 HB2 GLU 55 HB2 GLU 55 18.615 24.218 16.725 478 HB3 GLU 55 HB1 GLU 55 17.748 23.299 15.503 479 HG2 GLU 55 HG2 GLU 55 20.167 22.359 17.087 480 HG3 GLU 55 HG1 GLU 55 18.498 21.866 17.354 481 H GLU 56 HN GLU 56 21.667 22.593 14.396 482 HA GLU 56 HA GLU 56 23.541 23.525 16.309 483 HB2 GLU 56 HB2 GLU 56 23.628 21.260 15.327 484 HB3 GLU 56 HB1 GLU 56 23.940 21.940 13.741 485 HG2 GLU 56 HG2 GLU 56 25.976 21.012 14.670 486 HG3 GLU 56 HG1 GLU 56 26.127 22.763 14.483 487 H1 ALA 1 HT1 ALA 1 10.061 19.983 15.995 488 H2 ALA 1 HT2 ALA 1 11.639 19.463 16.299 489 H3 ALA 1 HT3 ALA 1 10.330 18.585 16.900 490 HA ALA 1 HA ALA 1 10.995 18.954 14.047 491 HB1 ALA 1 HB1 ALA 1 12.581 17.463 15.191 492 HB2 ALA 1 HB2 ALA 1 11.569 16.554 14.068 493 HB3 ALA 1 HB3 ALA 1 11.241 16.488 15.803 494 H ARG 2 HN ARG 2 9.426 18.339 12.630 495 HA ARG 2 HA ARG 2 6.755 17.663 13.661 496 HB2 ARG 2 HB2 ARG 2 7.650 18.479 10.856 497 HB3 ARG 2 HB1 ARG 2 5.978 18.299 11.403 498 HG2 ARG 2 HG2 ARG 2 6.274 20.140 13.000 499 HG3 ARG 2 HG1 ARG 2 7.970 20.296 12.539 500 HD2 ARG 2 HD2 ARG 2 7.244 20.920 10.234 501 HD3 ARG 2 HD1 ARG 2 5.560 20.830 10.767 502 HE ARG 2 HE ARG 2 7.505 22.696 12.001 503 HH11 ARG 2 HH11 ARG 2 4.381 22.200 10.461 504 HH12 ARG 2 HH12 ARG 2 3.855 23.822 10.769 505 HH21 ARG 2 HH21 ARG 2 6.786 24.782 12.414 506 HH22 ARG 2 HH22 ARG 2 5.217 25.283 11.873 507 H THR 3 HN THR 3 9.294 16.420 11.596 508 HA THR 3 HA THR 3 9.937 14.408 10.878 509 HB THR 3 HB THR 3 9.422 12.379 12.164 510 HG1 THR 3 HG1 THR 3 7.099 13.462 12.619 511 HG21 THR 3 HG21 THR 3 9.794 14.820 13.947 512 HG22 THR 3 HG22 THR 3 11.072 13.914 13.130 513 HG23 THR 3 HG23 THR 3 10.133 13.151 14.413 514 H LYS 4 HN LYS 4 7.194 15.565 9.941 515 HA LYS 4 HA LYS 4 5.851 13.288 8.737 516 HB2 LYS 4 HB2 LYS 4 4.633 15.324 9.555 517 HB3 LYS 4 HB1 LYS 4 5.452 16.288 8.338 518 HG2 LYS 4 HG2 LYS 4 3.158 15.799 7.677 519 HG3 LYS 4 HG1 LYS 4 4.301 15.061 6.555 520 HD2 LYS 4 HD2 LYS 4 2.432 13.546 7.029 521 HD3 LYS 4 HD1 LYS 4 3.946 12.862 7.622 522 HE2 LYS 4 HE2 LYS 4 2.058 12.533 9.197 523 HE3 LYS 4 HE1 LYS 4 3.355 13.492 9.914 524 HZ1 LYS 4 HZ1 LYS 4 2.090 15.487 9.495 525 HZ2 LYS 4 HZ2 LYS 4 1.143 14.398 10.382 526 HZ3 LYS 4 HZ3 LYS 4 0.872 14.604 8.721 527 H GLN 5 HN GLN 5 8.608 14.965 8.104 528 HA GLN 5 HA GLN 5 8.691 15.232 5.279 529 HB2 GLN 5 HB2 GLN 5 10.803 15.187 7.471 530 HB3 GLN 5 HB1 GLN 5 11.214 15.418 5.781 531 HG2 GLN 5 HG2 GLN 5 11.162 17.557 6.871 532 HG3 GLN 5 HG1 GLN 5 9.829 17.468 5.728 533 HE21 GLN 5 HE21 GLN 5 8.510 18.979 6.665 534 HE22 GLN 5 HE22 GLN 5 7.831 18.838 8.251 535 H THR 6 HN THR 6 7.804 13.099 4.767 536 HA THR 6 HA THR 6 9.270 10.717 5.490 537 HB THR 6 HB THR 6 7.357 9.600 4.130 538 HG1 THR 6 HG1 THR 6 6.276 12.232 4.442 539 HG21 THR 6 HG21 THR 6 5.778 9.809 6.018 540 HG22 THR 6 HG22 THR 6 6.684 11.194 6.634 541 HG23 THR 6 HG23 THR 6 7.431 9.593 6.604 542 H ALA 7 HN ALA 7 9.349 8.971 3.657 543 HA ALA 7 HA ALA 7 10.540 9.890 1.200 544 HB1 ALA 7 HB1 ALA 7 12.247 10.564 2.862 545 HB2 ALA 7 HB2 ALA 7 12.850 9.311 1.790 546 HB3 ALA 7 HB3 ALA 7 12.360 8.898 3.431 547 H ARG 8 HN ARG 8 10.487 8.212 -0.274 548 HA ARG 8 HA ARG 8 9.575 5.567 0.443 549 HB2 ARG 8 HB2 ARG 8 10.549 6.766 -2.178 550 HB3 ARG 8 HB1 ARG 8 10.279 5.039 -2.047 551 HG2 ARG 8 HG2 ARG 8 8.391 6.128 -3.106 552 HG3 ARG 8 HG1 ARG 8 7.913 5.403 -1.572 553 HD2 ARG 8 HD2 ARG 8 7.759 7.526 -0.506 554 HD3 ARG 8 HD1 ARG 8 8.616 8.336 -1.812 555 HE ARG 8 HE ARG 8 6.663 8.550 -2.942 556 HH11 ARG 8 HH11 ARG 8 6.088 6.088 -0.469 557 HH12 ARG 8 HH12 ARG 8 4.380 6.056 -0.751 558 HH21 ARG 8 HH21 ARG 8 4.447 8.447 -3.279 559 HH22 ARG 8 HH22 ARG 8 3.466 7.377 -2.341 560 H M3L 9 HN M3L 9 10.891 3.978 1.298 561 HA M3L 9 HA M3L 9 13.734 4.001 1.171 562 HB2 M3L 9 HB2 M3L 9 11.836 1.686 1.732 563 HB3 M3L 9 HB1 M3L 9 13.584 1.636 1.982 564 HG2 M3L 9 HG2 M3L 9 13.279 3.602 3.581 565 HG3 M3L 9 HG1 M3L 9 11.537 3.313 3.465 566 HD2 M3L 9 HD2 M3L 9 11.835 1.035 4.352 567 HD3 M3L 9 HD1 M3L 9 13.591 1.261 4.396 568 HE2 M3L 9 HE2 M3L 9 13.141 3.250 5.958 569 HE3 M3L 9 HE1 M3L 9 11.480 2.670 6.063 570 HM11 M3L 9 HH33 M3L 9 14.533 0.487 5.937 571 HM12 M3L 9 HH31 M3L 9 14.691 0.345 7.692 572 HM13 M3L 9 HH32 M3L 9 15.030 1.887 6.894 573 HM21 M3L 9 HH11 M3L 9 12.325 -0.503 7.844 574 HM22 M3L 9 HH12 M3L 9 12.131 -0.359 6.095 575 HM23 M3L 9 HH13 M3L 9 10.998 0.451 7.178 576 HM31 M3L 9 HH21 M3L 9 13.378 3.036 8.375 577 HM32 M3L 9 HH22 M3L 9 13.053 1.506 9.185 578 HM33 M3L 9 HH23 M3L 9 11.721 2.437 8.501 579 H SER 10 HN SER 10 15.016 2.093 0.235 580 HA SER 10 HA SER 10 14.750 1.786 -2.540 581 HB2 SER 10 HB2 SER 10 16.362 -0.185 -2.170 582 HB3 SER 10 HB1 SER 10 16.885 1.366 -1.520 583 HG SER 10 HG SER 10 16.842 0.567 0.411 584 H THR 11 HN THR 11 12.798 1.123 -3.297 585 HA THR 11 HA THR 11 10.924 -0.472 -1.934 586 HB THR 11 HB THR 11 9.568 -0.346 -4.015 587 HG1 THR 11 HG1 THR 11 10.555 0.704 -5.862 588 HG21 THR 11 HG21 THR 11 9.483 2.113 -4.267 589 HG22 THR 11 HG22 THR 11 11.047 2.265 -3.469 590 HG23 THR 11 HG23 THR 11 9.654 1.674 -2.562 591 H GLY 12 HN GLY 12 13.221 -1.264 -4.463 592 HA2 GLY 12 HA2 GLY 12 12.758 -4.158 -3.974 593 HA3 GLY 12 HA1 GLY 12 13.242 -3.487 -5.530 594 H GLY 13 HN GLY 13 14.293 -3.066 -2.143 595 HA2 GLY 13 HA2 GLY 13 17.074 -2.817 -2.723 596 HA3 GLY 13 HA1 GLY 13 16.356 -3.107 -1.143 597 H LYS 14 HN LYS 14 18.736 -4.311 -2.614 598 HA LYS 14 HA LYS 14 18.118 -7.135 -2.059 599 HB2 LYS 14 HB2 LYS 14 19.489 -7.809 -4.096 600 HB3 LYS 14 HB1 LYS 14 17.897 -7.157 -4.428 601 HG2 LYS 14 HG2 LYS 14 20.217 -5.244 -4.518 602 HG3 LYS 14 HG1 LYS 14 20.084 -6.423 -5.825 603 HD2 LYS 14 HD2 LYS 14 17.868 -4.501 -5.003 604 HD3 LYS 14 HD1 LYS 14 19.007 -4.205 -6.319 605 HE2 LYS 14 HE2 LYS 14 18.169 -6.179 -7.519 606 HE3 LYS 14 HE1 LYS 14 17.076 -6.556 -6.185 607 HZ1 LYS 14 HZ1 LYS 14 15.978 -5.433 -8.020 608 HZ2 LYS 14 HZ2 LYS 14 16.970 -4.084 -7.816 609 HZ3 LYS 14 HZ3 LYS 14 15.887 -4.534 -6.597 610 H ALA 15 HN ALA 15 19.443 -7.684 -0.480 611 HA ALA 15 HA ALA 15 22.342 -7.363 -0.783 612 HB1 ALA 15 HB1 ALA 15 22.620 -6.622 1.562 613 HB2 ALA 15 HB2 ALA 15 20.867 -6.560 1.762 614 HB3 ALA 15 HB3 ALA 15 21.667 -5.452 0.646 Start of MODEL 6 1 H1 GLY 1 HT1 GLY 1 4.280 -1.328 -1.640 2 H2 GLY 1 HT2 GLY 1 5.370 -1.808 -2.836 3 H3 GLY 1 HT3 GLY 1 3.718 -2.077 -3.048 4 HA2 GLY 1 HA1 GLY 1 4.463 -0.215 -4.380 5 HA3 GLY 1 HA2 GLY 1 3.287 0.271 -3.161 6 H GLU 2 HN GLU 2 3.898 2.321 -2.652 7 HA GLU 2 HA GLU 2 6.664 3.154 -2.425 8 HB2 GLU 2 HB2 GLU 2 4.100 4.657 -1.723 9 HB3 GLU 2 HB1 GLU 2 5.699 5.373 -1.923 10 HG2 GLU 2 HG2 GLU 2 5.692 4.817 -4.298 11 HG3 GLU 2 HG1 GLU 2 4.157 3.968 -4.130 12 H GLN 3 HN GLN 3 7.415 1.754 -0.760 13 HA GLN 3 HA GLN 3 6.105 1.592 1.803 14 HB2 GLN 3 HB2 GLN 3 7.320 -0.339 0.793 15 HB3 GLN 3 HB1 GLN 3 8.840 0.537 0.969 16 HG2 GLN 3 HG2 GLN 3 8.478 0.563 3.452 17 HG3 GLN 3 HG1 GLN 3 7.023 -0.404 3.216 18 HE21 GLN 3 HE21 GLN 3 10.515 -0.388 2.999 19 HE22 GLN 3 HE22 GLN 3 10.716 -2.100 2.986 20 H VAL 4 HN VAL 4 6.107 3.497 2.885 21 HA VAL 4 HA VAL 4 8.588 5.033 3.304 22 HB VAL 4 HB VAL 4 7.100 6.775 4.322 23 HG11 VAL 4 HG11 VAL 4 6.024 7.536 2.233 24 HG12 VAL 4 HG12 VAL 4 6.263 5.937 1.520 25 HG13 VAL 4 HG13 VAL 4 7.657 6.933 1.942 26 HG21 VAL 4 HG21 VAL 4 4.785 4.959 3.494 27 HG22 VAL 4 HG22 VAL 4 4.631 6.603 4.126 28 HG23 VAL 4 HG23 VAL 4 5.275 5.323 5.153 29 H PHE 5 HN PHE 5 9.320 5.587 5.372 30 HA PHE 5 HA PHE 5 8.034 4.459 7.775 31 HB2 PHE 5 HB2 PHE 5 11.048 4.303 7.224 32 HB3 PHE 5 HB1 PHE 5 10.298 3.936 8.764 33 HD1 PHE 5 HD1 PHE 5 10.447 2.836 5.196 34 HD2 PHE 5 HD2 PHE 5 9.562 1.731 9.225 35 HE1 PHE 5 HE1 PHE 5 10.235 0.489 4.516 36 HE2 PHE 5 HE2 PHE 5 9.345 -0.613 8.529 37 HZ PHE 5 HZ PHE 5 9.679 -1.238 6.177 38 H ALA 6 HN ALA 6 8.597 5.666 9.708 39 HA ALA 6 HA ALA 6 8.638 8.493 9.332 40 HB1 ALA 6 HB1 ALA 6 8.580 8.610 11.789 41 HB2 ALA 6 HB2 ALA 6 8.955 6.889 11.896 42 HB3 ALA 6 HB3 ALA 6 7.424 7.418 11.194 43 H VAL 7 HN VAL 7 10.367 9.842 9.172 44 HA VAL 7 HA VAL 7 13.059 8.885 9.970 45 HB VAL 7 HB VAL 7 14.082 10.064 8.193 46 HG11 VAL 7 HG11 VAL 7 12.968 8.058 7.359 47 HG12 VAL 7 HG12 VAL 7 12.975 9.309 6.116 48 HG13 VAL 7 HG13 VAL 7 11.497 8.975 7.025 49 HG21 VAL 7 HG21 VAL 7 11.485 11.540 7.661 50 HG22 VAL 7 HG22 VAL 7 12.962 11.694 6.708 51 HG23 VAL 7 HG23 VAL 7 12.939 12.217 8.390 52 H GLU 8 HN GLU 8 14.486 10.387 10.900 53 HA GLU 8 HA GLU 8 13.308 12.555 12.437 54 HB2 GLU 8 HB2 GLU 8 15.069 10.978 13.383 55 HB3 GLU 8 HB1 GLU 8 16.241 11.690 12.286 56 HG2 GLU 8 HG2 GLU 8 16.452 12.641 14.532 57 HG3 GLU 8 HG1 GLU 8 15.964 13.873 13.364 58 H SER 9 HN SER 9 16.236 12.344 10.437 59 HA SER 9 HA SER 9 15.539 14.466 8.636 60 HB2 SER 9 HB2 SER 9 17.729 14.900 10.719 61 HB3 SER 9 HB1 SER 9 17.573 15.883 9.258 62 HG SER 9 HG SER 9 15.227 16.018 10.238 63 H ILE 10 HN ILE 10 18.204 14.969 7.738 64 HA ILE 10 HA ILE 10 18.911 12.397 6.535 65 HB ILE 10 HB ILE 10 20.023 15.185 6.015 66 HG12 ILE 10 HG12 ILE 10 17.657 15.106 5.377 67 HG13 ILE 10 HG11 ILE 10 18.656 15.170 3.933 68 HG21 ILE 10 HG21 ILE 10 21.009 14.257 3.968 69 HG22 ILE 10 HG22 ILE 10 20.427 12.648 4.399 70 HG23 ILE 10 HG23 ILE 10 21.638 13.447 5.404 71 HD11 ILE 10 HD11 ILE 10 17.260 12.732 5.039 72 HD12 ILE 10 HD12 ILE 10 18.292 12.756 3.606 73 HD13 ILE 10 HD13 ILE 10 16.791 13.679 3.626 74 H ARG 11 HN ARG 11 20.463 11.171 7.369 75 HA ARG 11 HA ARG 11 22.155 11.997 9.547 76 HB2 ARG 11 HB2 ARG 11 20.995 9.649 9.067 77 HB3 ARG 11 HB1 ARG 11 22.450 9.316 8.140 78 HG2 ARG 11 HG2 ARG 11 22.532 10.169 11.061 79 HG3 ARG 11 HG1 ARG 11 22.338 8.483 10.584 80 HD2 ARG 11 HD2 ARG 11 24.508 8.487 9.500 81 HD3 ARG 11 HD1 ARG 11 24.692 10.223 9.778 82 HE ARG 11 HE ARG 11 24.425 9.430 12.263 83 HH11 ARG 11 HH11 ARG 11 26.360 7.841 9.789 84 HH12 ARG 11 HH12 ARG 11 27.526 7.254 10.929 85 HH21 ARG 11 HH21 ARG 11 25.939 8.642 13.718 86 HH22 ARG 11 HH22 ARG 11 27.280 7.697 13.152 87 H LYS 12 HN LYS 12 22.837 10.735 6.216 88 HA LYS 12 HA LYS 12 25.280 12.420 6.101 89 HB2 LYS 12 HB2 LYS 12 25.198 9.513 5.161 90 HB3 LYS 12 HB1 LYS 12 26.561 10.619 5.005 91 HG2 LYS 12 HG2 LYS 12 26.721 10.695 7.498 92 HG3 LYS 12 HG1 LYS 12 25.413 9.516 7.585 93 HD2 LYS 12 HD2 LYS 12 27.559 8.388 7.861 94 HD3 LYS 12 HD1 LYS 12 26.810 7.882 6.343 95 HE2 LYS 12 HE2 LYS 12 28.290 9.324 5.068 96 HE3 LYS 12 HE1 LYS 12 28.943 10.038 6.541 97 HZ1 LYS 12 HZ1 LYS 12 29.241 7.206 5.731 98 HZ2 LYS 12 HZ2 LYS 12 29.892 7.917 7.114 99 HZ3 LYS 12 HZ3 LYS 12 30.423 8.403 5.588 100 H LYS 13 HN LYS 13 26.162 12.334 3.697 101 HA LYS 13 HA LYS 13 24.082 12.291 1.667 102 HB2 LYS 13 HB2 LYS 13 23.621 14.448 2.821 103 HB3 LYS 13 HB1 LYS 13 25.295 14.945 2.586 104 HG2 LYS 13 HG2 LYS 13 24.838 14.754 0.057 105 HG3 LYS 13 HG1 LYS 13 23.127 14.605 0.485 106 HD2 LYS 13 HD2 LYS 13 23.226 16.825 1.599 107 HD3 LYS 13 HD1 LYS 13 24.938 16.959 1.176 108 HE2 LYS 13 HE2 LYS 13 24.257 16.784 -1.255 109 HE3 LYS 13 HE1 LYS 13 22.574 16.890 -0.725 110 HZ1 LYS 13 HZ1 LYS 13 23.446 19.013 -1.419 111 HZ2 LYS 13 HZ2 LYS 13 24.672 18.926 -0.264 112 HZ3 LYS 13 HZ3 LYS 13 23.063 19.033 0.221 113 H ARG 14 HN ARG 14 24.915 12.240 -0.369 114 HA ARG 14 HA ARG 14 27.504 13.210 -1.140 115 HB2 ARG 14 HB2 ARG 14 28.584 11.093 -1.683 116 HB3 ARG 14 HB1 ARG 14 28.091 11.018 0.009 117 HG2 ARG 14 HG2 ARG 14 25.977 9.780 -0.823 118 HG3 ARG 14 HG1 ARG 14 26.818 9.625 -2.368 119 HD2 ARG 14 HD2 ARG 14 27.753 8.545 0.313 120 HD3 ARG 14 HD1 ARG 14 27.071 7.598 -1.019 121 HE ARG 14 HE ARG 14 29.555 9.130 -1.447 122 HH11 ARG 14 HH11 ARG 14 27.969 6.010 -1.300 123 HH12 ARG 14 HH12 ARG 14 29.369 5.142 -1.830 124 HH21 ARG 14 HH21 ARG 14 31.388 7.987 -2.095 125 HH22 ARG 14 HH22 ARG 14 31.317 6.264 -2.274 126 H VAL 15 HN VAL 15 27.788 12.924 -3.549 127 HA VAL 15 HA VAL 15 25.258 12.213 -4.924 128 HB VAL 15 HB VAL 15 26.209 14.442 -5.508 129 HG11 VAL 15 HG11 VAL 15 28.609 13.986 -5.274 130 HG12 VAL 15 HG12 VAL 15 28.264 14.649 -6.874 131 HG13 VAL 15 HG13 VAL 15 28.562 12.919 -6.680 132 HG21 VAL 15 HG21 VAL 15 26.028 14.218 -7.983 133 HG22 VAL 15 HG22 VAL 15 24.773 13.308 -7.140 134 HG23 VAL 15 HG23 VAL 15 26.165 12.463 -7.821 135 H ARG 16 HN ARG 16 25.160 10.478 -6.295 136 HA ARG 16 HA ARG 16 27.524 9.010 -7.113 137 HB2 ARG 16 HB2 ARG 16 26.954 8.168 -4.785 138 HB3 ARG 16 HB1 ARG 16 25.389 7.651 -5.402 139 HG2 ARG 16 HG2 ARG 16 26.815 5.735 -5.334 140 HG3 ARG 16 HG1 ARG 16 26.587 6.154 -7.031 141 HD2 ARG 16 HD2 ARG 16 28.802 7.376 -6.929 142 HD3 ARG 16 HD1 ARG 16 29.030 6.706 -5.308 143 HE ARG 16 HE ARG 16 28.495 4.571 -7.017 144 HH11 ARG 16 HH11 ARG 16 31.023 6.965 -6.634 145 HH12 ARG 16 HH12 ARG 16 32.249 5.960 -7.336 146 HH21 ARG 16 HH21 ARG 16 30.096 3.274 -7.985 147 HH22 ARG 16 HH22 ARG 16 31.723 3.860 -8.094 148 H LYS 17 HN LYS 17 27.179 8.296 -9.125 149 HA LYS 17 HA LYS 17 26.288 7.575 -11.060 150 HB2 LYS 17 HB2 LYS 17 25.253 5.844 -9.413 151 HB3 LYS 17 HB1 LYS 17 23.760 6.751 -9.577 152 HG2 LYS 17 HG2 LYS 17 23.665 4.859 -11.062 153 HG3 LYS 17 HG1 LYS 17 23.806 6.320 -12.047 154 HD2 LYS 17 HD2 LYS 17 26.273 5.866 -12.263 155 HD3 LYS 17 HD1 LYS 17 26.038 4.356 -11.374 156 HE2 LYS 17 HE2 LYS 17 24.464 3.606 -13.175 157 HE3 LYS 17 HE1 LYS 17 24.830 5.088 -14.065 158 HZ1 LYS 17 HZ1 LYS 17 26.122 3.225 -14.847 159 HZ2 LYS 17 HZ2 LYS 17 26.779 2.991 -13.311 160 HZ3 LYS 17 HZ3 LYS 17 27.135 4.396 -14.178 161 H GLY 18 HN GLY 18 25.852 10.322 -10.101 162 HA2 GLY 18 HA2 GLY 18 24.973 12.242 -11.040 163 HA3 GLY 18 HA1 GLY 18 23.955 11.262 -12.079 164 H LYS 19 HN LYS 19 23.562 10.218 -8.932 165 HA LYS 19 HA LYS 19 21.232 11.975 -8.429 166 HB2 LYS 19 HB2 LYS 19 21.530 8.972 -7.985 167 HB3 LYS 19 HB1 LYS 19 20.268 9.922 -7.192 168 HG2 LYS 19 HG2 LYS 19 20.638 9.610 -10.193 169 HG3 LYS 19 HG1 LYS 19 19.411 8.802 -9.202 170 HD2 LYS 19 HD2 LYS 19 18.394 10.970 -8.654 171 HD3 LYS 19 HD1 LYS 19 19.663 11.826 -9.535 172 HE2 LYS 19 HE2 LYS 19 18.867 10.760 -11.643 173 HE3 LYS 19 HE1 LYS 19 17.566 9.980 -10.737 174 HZ1 LYS 19 HZ1 LYS 19 17.979 12.888 -11.130 175 HZ2 LYS 19 HZ2 LYS 19 16.825 12.240 -10.079 176 HZ3 LYS 19 HZ3 LYS 19 16.719 11.941 -11.739 177 H VAL 20 HN VAL 20 21.529 13.201 -6.700 178 HA VAL 20 HA VAL 20 23.568 12.698 -4.748 179 HB VAL 20 HB VAL 20 21.218 14.641 -4.494 180 HG11 VAL 20 HG11 VAL 20 23.943 14.638 -3.123 181 HG12 VAL 20 HG12 VAL 20 22.392 14.264 -2.364 182 HG13 VAL 20 HG13 VAL 20 22.713 15.895 -2.953 183 HG21 VAL 20 HG21 VAL 20 22.421 15.076 -6.606 184 HG22 VAL 20 HG22 VAL 20 23.952 15.179 -5.732 185 HG23 VAL 20 HG23 VAL 20 22.691 16.385 -5.451 186 H GLU 21 HN GLU 21 23.357 11.029 -3.412 187 HA GLU 21 HA GLU 21 20.728 10.163 -2.418 188 HB2 GLU 21 HB2 GLU 21 21.877 8.031 -1.797 189 HB3 GLU 21 HB1 GLU 21 21.914 8.373 -3.523 190 HG2 GLU 21 HG2 GLU 21 24.231 9.026 -3.426 191 HG3 GLU 21 HG1 GLU 21 24.230 8.951 -1.661 192 H TYR 22 HN TYR 22 20.279 10.055 -0.354 193 HA TYR 22 HA TYR 22 22.084 11.357 1.603 194 HB2 TYR 22 HB2 TYR 22 19.014 11.367 1.480 195 HB3 TYR 22 HB1 TYR 22 20.002 12.208 2.665 196 HD1 TYR 22 HD1 TYR 22 19.174 12.120 -0.988 197 HD2 TYR 22 HD2 TYR 22 20.746 14.448 2.227 198 HE1 TYR 22 HE1 TYR 22 19.213 14.099 -2.435 199 HE2 TYR 22 HE2 TYR 22 20.771 16.430 0.782 200 HH TYR 22 HH TYR 22 19.239 16.486 -2.311 201 H LEU 23 HN LEU 23 22.746 9.816 3.137 202 HA LEU 23 HA LEU 23 21.239 7.470 3.783 203 HB2 LEU 23 HB2 LEU 23 23.677 7.735 4.367 204 HB3 LEU 23 HB1 LEU 23 23.240 8.970 5.535 205 HG LEU 23 HG LEU 23 21.837 7.187 6.732 206 HD11 LEU 23 HD11 LEU 23 21.651 5.593 4.887 207 HD12 LEU 23 HD12 LEU 23 22.344 4.847 6.322 208 HD13 LEU 23 HD13 LEU 23 23.388 5.284 4.965 209 HD21 LEU 23 HD21 LEU 23 24.824 6.691 6.606 210 HD22 LEU 23 HD22 LEU 23 23.737 6.200 7.910 211 HD23 LEU 23 HD23 LEU 23 24.022 7.911 7.598 212 H VAL 24 HN VAL 24 19.111 8.196 4.002 213 HA VAL 24 HA VAL 24 18.363 10.404 5.671 214 HB VAL 24 HB VAL 24 16.545 8.120 4.753 215 HG11 VAL 24 HG11 VAL 24 14.731 9.801 4.931 216 HG12 VAL 24 HG12 VAL 24 15.897 11.008 5.487 217 HG13 VAL 24 HG13 VAL 24 15.560 9.585 6.476 218 HG21 VAL 24 HG21 VAL 24 17.224 10.662 3.220 219 HG22 VAL 24 HG22 VAL 24 16.002 9.475 2.753 220 HG23 VAL 24 HG23 VAL 24 17.707 9.021 2.780 221 H LYS 25 HN LYS 25 18.162 10.345 7.884 222 HA LYS 25 HA LYS 25 18.627 7.862 9.292 223 HB2 LYS 25 HB2 LYS 25 19.510 10.059 10.133 224 HB3 LYS 25 HB1 LYS 25 17.860 10.592 10.438 225 HG2 LYS 25 HG2 LYS 25 19.020 9.812 12.490 226 HG3 LYS 25 HG1 LYS 25 17.562 8.871 12.137 227 HD2 LYS 25 HD2 LYS 25 18.918 7.043 11.215 228 HD3 LYS 25 HD1 LYS 25 20.393 7.991 11.397 229 HE2 LYS 25 HE2 LYS 25 20.233 6.334 13.181 230 HE3 LYS 25 HE1 LYS 25 20.089 7.954 13.861 231 HZ1 LYS 25 HZ1 LYS 25 17.713 7.665 14.004 232 HZ2 LYS 25 HZ2 LYS 25 18.492 6.397 14.807 233 HZ3 LYS 25 HZ3 LYS 25 17.810 6.137 13.281 234 H TRP 26 HN TRP 26 16.970 6.505 8.952 235 HA TRP 26 HA TRP 26 14.188 7.149 9.309 236 HB2 TRP 26 HB2 TRP 26 15.579 4.418 9.292 237 HB3 TRP 26 HB1 TRP 26 13.862 4.714 9.027 238 HD1 TRP 26 HD1 TRP 26 17.250 4.898 7.186 239 HE1 TRP 26 HE1 TRP 26 16.850 5.334 4.689 240 HE3 TRP 26 HE3 TRP 26 12.217 5.690 7.289 241 HZ2 TRP 26 HZ2 TRP 26 14.720 5.934 2.995 242 HZ3 TRP 26 HZ3 TRP 26 11.066 6.171 5.174 243 HH2 TRP 26 HH2 TRP 26 12.293 6.289 3.067 244 H LYS 27 HN LYS 27 13.454 7.706 11.339 245 HA LYS 27 HA LYS 27 15.309 7.593 13.510 246 HB2 LYS 27 HB2 LYS 27 13.741 8.969 14.758 247 HB3 LYS 27 HB1 LYS 27 13.930 9.578 13.118 248 HG2 LYS 27 HG2 LYS 27 11.758 8.556 12.491 249 HG3 LYS 27 HG1 LYS 27 11.569 7.960 14.148 250 HD2 LYS 27 HD2 LYS 27 11.558 10.286 14.989 251 HD3 LYS 27 HD1 LYS 27 11.785 10.896 13.348 252 HE2 LYS 27 HE2 LYS 27 9.577 9.885 12.722 253 HE3 LYS 27 HE1 LYS 27 9.356 9.400 14.404 254 HZ1 LYS 27 HZ1 LYS 27 8.207 11.441 13.977 255 HZ2 LYS 27 HZ2 LYS 27 9.607 12.167 13.388 256 HZ3 LYS 27 HZ3 LYS 27 9.499 11.759 15.020 257 H GLY 28 HN GLY 28 12.606 5.585 12.664 258 HA2 GLY 28 HA2 GLY 28 12.194 4.366 15.236 259 HA3 GLY 28 HA1 GLY 28 11.698 3.726 13.682 260 H TRP 29 HN TRP 29 14.772 4.215 13.080 261 HA TRP 29 HA TRP 29 15.675 1.517 13.884 262 HB2 TRP 29 HB2 TRP 29 16.045 2.910 11.181 263 HB3 TRP 29 HB1 TRP 29 16.581 1.284 11.586 264 HD1 TRP 29 HD1 TRP 29 13.242 3.245 11.106 265 HE1 TRP 29 HE1 TRP 29 11.457 1.602 10.274 266 HE3 TRP 29 HE3 TRP 29 15.952 -1.091 11.289 267 HZ2 TRP 29 HZ2 TRP 29 11.215 -1.148 9.738 268 HZ3 TRP 29 HZ3 TRP 29 14.875 -3.181 10.573 269 HH2 TRP 29 HH2 TRP 29 12.552 -3.215 9.812 270 HA PRO 30 HA PRO 30 19.589 3.681 14.895 271 HB2 PRO 30 HB2 PRO 30 21.376 1.613 14.712 272 HB3 PRO 30 HB1 PRO 30 20.221 1.749 16.046 273 HG2 PRO 30 HG2 PRO 30 20.032 0.098 13.538 274 HG3 PRO 30 HG1 PRO 30 19.710 -0.390 15.216 275 HD2 PRO 30 HD2 PRO 30 17.705 0.276 13.505 276 HD3 PRO 30 HD1 PRO 30 17.603 0.628 15.243 277 HA PRO 31 HA PRO 31 21.384 5.132 11.101 278 HB2 PRO 31 HB2 PRO 31 24.123 5.312 11.557 279 HB3 PRO 31 HB1 PRO 31 22.935 6.444 12.221 280 HG2 PRO 31 HG2 PRO 31 24.185 4.024 13.520 281 HG3 PRO 31 HG1 PRO 31 23.953 5.653 14.192 282 HD2 PRO 31 HD2 PRO 31 22.278 3.657 14.837 283 HD3 PRO 31 HD1 PRO 31 21.652 5.300 14.579 284 H LYS 32 HN LYS 32 22.686 2.065 12.228 285 HA LYS 32 HA LYS 32 23.931 1.383 9.698 286 HB2 LYS 32 HB2 LYS 32 24.289 -0.865 10.677 287 HB3 LYS 32 HB1 LYS 32 24.911 0.430 11.692 288 HG2 LYS 32 HG2 LYS 32 22.993 0.198 13.209 289 HG3 LYS 32 HG1 LYS 32 22.297 -1.043 12.158 290 HD2 LYS 32 HD2 LYS 32 24.260 -2.502 12.580 291 HD3 LYS 32 HD1 LYS 32 24.957 -1.268 13.640 292 HE2 LYS 32 HE2 LYS 32 23.075 -1.507 15.188 293 HE3 LYS 32 HE1 LYS 32 22.294 -2.664 14.106 294 HZ1 LYS 32 HZ1 LYS 32 24.900 -3.049 15.458 295 HZ2 LYS 32 HZ2 LYS 32 24.144 -4.161 14.438 296 HZ3 LYS 32 HZ3 LYS 32 23.435 -3.755 15.916 297 H TYR 33 HN TYR 33 20.787 0.858 11.193 298 HA TYR 33 HA TYR 33 19.825 -0.800 8.973 299 HB2 TYR 33 HB2 TYR 33 18.551 0.230 11.529 300 HB3 TYR 33 HB1 TYR 33 17.560 -0.452 10.250 301 HD1 TYR 33 HD2 TYR 33 20.463 -1.304 12.481 302 HD2 TYR 33 HD1 TYR 33 17.207 -2.804 10.160 303 HE1 TYR 33 HE2 TYR 33 20.859 -3.553 13.380 304 HE2 TYR 33 HE1 TYR 33 17.606 -5.056 11.058 305 HH TYR 33 HH TYR 33 19.492 -6.346 12.077 306 H SER 34 HN SER 34 20.326 2.487 9.485 307 HA SER 34 HA SER 34 18.145 3.511 7.881 308 HB2 SER 34 HB2 SER 34 20.730 4.852 8.805 309 HB3 SER 34 HB1 SER 34 19.374 5.677 8.024 310 HG SER 34 HG SER 34 18.881 4.138 10.320 311 H THR 35 HN THR 35 18.677 4.716 5.778 312 HA THR 35 HA THR 35 20.548 3.104 4.176 313 HB THR 35 HB THR 35 17.608 3.277 3.395 314 HG1 THR 35 HG1 THR 35 18.904 1.406 5.094 315 HG21 THR 35 HG21 THR 35 19.804 1.330 2.669 316 HG22 THR 35 HG22 THR 35 19.221 2.640 1.637 317 HG23 THR 35 HG23 THR 35 18.150 1.300 2.056 318 H TRP 36 HN TRP 36 20.830 3.881 1.990 319 HA TRP 36 HA TRP 36 20.919 6.795 1.876 320 HB2 TRP 36 HB2 TRP 36 22.179 4.674 0.087 321 HB3 TRP 36 HB1 TRP 36 22.411 6.405 -0.107 322 HD1 TRP 36 HD1 TRP 36 23.391 3.502 2.243 323 HE1 TRP 36 HE1 TRP 36 25.465 4.217 3.586 324 HE3 TRP 36 HE3 TRP 36 23.653 8.412 0.796 325 HZ2 TRP 36 HZ2 TRP 36 27.012 6.548 3.985 326 HZ3 TRP 36 HZ3 TRP 36 25.463 9.817 1.704 327 HH2 TRP 36 HH2 TRP 36 27.108 8.902 3.268 328 H GLU 37 HN GLU 37 18.800 7.378 1.387 329 HA GLU 37 HA GLU 37 17.690 6.611 -1.242 330 HB2 GLU 37 HB2 GLU 37 16.453 7.609 1.319 331 HB3 GLU 37 HB1 GLU 37 15.653 8.008 -0.191 332 HG2 GLU 37 HG2 GLU 37 14.662 6.044 0.802 333 HG3 GLU 37 HG1 GLU 37 15.418 5.648 -0.740 334 HA PRO 38 HA PRO 38 19.067 10.727 -2.686 335 HB2 PRO 38 HB2 PRO 38 17.441 9.933 -5.088 336 HB3 PRO 38 HB1 PRO 38 19.112 10.515 -4.997 337 HG2 PRO 38 HG2 PRO 38 18.599 7.934 -5.467 338 HG3 PRO 38 HG1 PRO 38 19.954 8.408 -4.419 339 HD2 PRO 38 HD2 PRO 38 17.215 7.392 -3.638 340 HD3 PRO 38 HD1 PRO 38 18.811 6.963 -2.973 341 H GLU 39 HN GLU 39 17.899 12.565 -3.818 342 HA GLU 39 HA GLU 39 15.879 13.503 -2.084 343 HB2 GLU 39 HB2 GLU 39 15.917 15.551 -3.556 344 HB3 GLU 39 HB1 GLU 39 17.479 15.045 -2.922 345 HG2 GLU 39 HG2 GLU 39 17.962 13.946 -5.123 346 HG3 GLU 39 HG1 GLU 39 16.456 14.625 -5.747 347 H GLU 40 HN GLU 40 15.548 11.679 -4.968 348 HA GLU 40 HA GLU 40 12.912 12.646 -5.658 349 HB2 GLU 40 HB2 GLU 40 12.892 10.487 -7.136 350 HB3 GLU 40 HB1 GLU 40 13.968 11.805 -7.552 351 HG2 GLU 40 HG2 GLU 40 15.146 9.738 -7.877 352 HG3 GLU 40 HG1 GLU 40 15.862 10.585 -6.512 353 H HIS 41 HN HIS 41 14.176 10.194 -3.494 354 HA HIS 41 HA HIS 41 11.604 8.961 -2.927 355 HB2 HIS 41 HB2 HIS 41 14.339 8.760 -1.617 356 HB3 HIS 41 HB1 HIS 41 12.928 7.988 -0.911 357 HD1 HIS 41 HD1 HIS 41 15.681 6.953 -2.665 358 HD2 HIS 41 HD2 HIS 41 11.631 6.441 -3.401 359 HE1 HIS 41 HE1 HIS 41 15.520 4.911 -4.112 360 HE2 HIS 41 HE2 HIS 41 13.091 4.782 -4.735 361 H ILE 42 HN ILE 42 13.347 11.724 -1.805 362 HA ILE 42 HA ILE 42 12.204 12.044 0.788 363 HB ILE 42 HB ILE 42 13.457 14.105 -1.087 364 HG12 ILE 42 HG12 ILE 42 15.050 12.301 -0.610 365 HG13 ILE 42 HG11 ILE 42 15.554 13.764 0.220 366 HG21 ILE 42 HG21 ILE 42 13.872 15.471 0.938 367 HG22 ILE 42 HG22 ILE 42 12.942 14.318 1.895 368 HG23 ILE 42 HG23 ILE 42 12.151 15.245 0.620 369 HD11 ILE 42 HD11 ILE 42 14.200 11.384 1.486 370 HD12 ILE 42 HD12 ILE 42 14.719 12.847 2.326 371 HD13 ILE 42 HD13 ILE 42 15.912 11.793 1.573 372 H LEU 43 HN LEU 43 10.212 12.833 1.358 373 HA LEU 43 HA LEU 43 8.268 13.513 -0.669 374 HB2 LEU 43 HB2 LEU 43 8.011 13.588 2.372 375 HB3 LEU 43 HB1 LEU 43 6.679 13.780 1.235 376 HG LEU 43 HG LEU 43 8.308 11.262 1.751 377 HD11 LEU 43 HD11 LEU 43 6.544 11.736 3.400 378 HD12 LEU 43 HD12 LEU 43 6.187 10.292 2.460 379 HD13 LEU 43 HD13 LEU 43 5.342 11.805 2.110 380 HD21 LEU 43 HD21 LEU 43 6.218 11.738 -0.391 381 HD22 LEU 43 HD22 LEU 43 6.880 10.166 0.062 382 HD23 LEU 43 HD23 LEU 43 7.933 11.391 -0.632 383 H ASP 44 HN ASP 44 9.418 15.235 2.230 384 HA ASP 44 HA ASP 44 8.372 17.776 1.152 385 HB2 ASP 44 HB2 ASP 44 7.537 16.948 3.374 386 HB3 ASP 44 HB1 ASP 44 9.173 17.033 4.003 387 HA PRO 45 HA PRO 45 12.550 19.008 0.126 388 HB2 PRO 45 HB2 PRO 45 12.257 21.776 0.215 389 HB3 PRO 45 HB1 PRO 45 11.714 20.760 -1.128 390 HG2 PRO 45 HG2 PRO 45 10.121 21.805 1.221 391 HG3 PRO 45 HG1 PRO 45 9.691 21.807 -0.505 392 HD2 PRO 45 HD2 PRO 45 8.678 19.960 1.130 393 HD3 PRO 45 HD1 PRO 45 9.199 19.499 -0.508 394 H ARG 46 HN ARG 46 11.071 20.261 3.087 395 HA ARG 46 HA ARG 46 13.410 21.504 4.180 396 HB2 ARG 46 HB2 ARG 46 10.893 20.590 5.628 397 HB3 ARG 46 HB1 ARG 46 12.112 21.697 6.272 398 HG2 ARG 46 HG2 ARG 46 11.550 23.361 4.578 399 HG3 ARG 46 HG1 ARG 46 10.428 22.240 3.800 400 HD2 ARG 46 HD2 ARG 46 9.157 23.809 5.098 401 HD3 ARG 46 HD1 ARG 46 9.057 22.240 5.897 402 HE ARG 46 HE ARG 46 11.158 23.606 7.095 403 HH11 ARG 46 HH11 ARG 46 7.699 24.051 6.743 404 HH12 ARG 46 HH12 ARG 46 7.536 24.963 8.207 405 HH21 ARG 46 HH21 ARG 46 10.946 24.822 9.010 406 HH22 ARG 46 HH22 ARG 46 9.392 25.418 9.488 407 H LEU 47 HN LEU 47 12.366 18.206 4.052 408 HA LEU 47 HA LEU 47 13.776 17.087 6.215 409 HB2 LEU 47 HB2 LEU 47 12.172 15.841 4.830 410 HB3 LEU 47 HB1 LEU 47 13.241 15.947 3.443 411 HG LEU 47 HG LEU 47 14.825 14.405 4.448 412 HD11 LEU 47 HD11 LEU 47 13.098 14.418 6.937 413 HD12 LEU 47 HD12 LEU 47 14.708 15.128 6.784 414 HD13 LEU 47 HD13 LEU 47 14.497 13.386 6.645 415 HD21 LEU 47 HD21 LEU 47 13.462 12.370 4.619 416 HD22 LEU 47 HD22 LEU 47 12.885 13.391 3.303 417 HD23 LEU 47 HD23 LEU 47 12.004 13.342 4.833 418 H VAL 48 HN VAL 48 14.852 17.881 2.926 419 HA VAL 48 HA VAL 48 17.649 17.233 3.412 420 HB VAL 48 HB VAL 48 16.213 18.543 1.051 421 HG11 VAL 48 HG11 VAL 48 19.148 17.743 1.237 422 HG12 VAL 48 HG12 VAL 48 18.518 19.384 1.079 423 HG13 VAL 48 HG13 VAL 48 18.322 18.236 -0.245 424 HG21 VAL 48 HG21 VAL 48 17.385 15.740 1.352 425 HG22 VAL 48 HG22 VAL 48 16.622 16.384 -0.105 426 HG23 VAL 48 HG23 VAL 48 15.665 16.150 1.359 427 H MET 49 HN MET 49 15.671 20.156 2.994 428 HA MET 49 HA MET 49 17.778 22.018 2.796 429 HB2 MET 49 HB2 MET 49 14.799 22.356 3.241 430 HB3 MET 49 HB1 MET 49 15.883 23.748 3.172 431 HG2 MET 49 HG2 MET 49 15.475 21.714 0.967 432 HG3 MET 49 HG1 MET 49 14.791 23.340 1.018 433 HE1 MET 49 HE1 MET 49 17.493 23.666 -1.837 434 HE2 MET 49 HE2 MET 49 15.801 23.918 -1.407 435 HE3 MET 49 HE3 MET 49 16.451 22.280 -1.512 436 H ALA 50 HN ALA 50 15.949 20.898 5.616 437 HA ALA 50 HA ALA 50 16.912 22.915 7.429 438 HB1 ALA 50 HB1 ALA 50 14.856 21.633 7.907 439 HB2 ALA 50 HB2 ALA 50 16.023 21.497 9.227 440 HB3 ALA 50 HB3 ALA 50 15.814 20.164 8.085 441 H TYR 51 HN TYR 51 17.969 19.659 6.530 442 HA TYR 51 HA TYR 51 20.181 19.420 8.311 443 HB2 TYR 51 HB2 TYR 51 19.482 17.379 7.380 444 HB3 TYR 51 HB1 TYR 51 19.284 18.048 5.770 445 HD1 TYR 51 HD2 TYR 51 21.983 17.143 8.251 446 HD2 TYR 51 HD1 TYR 51 20.920 17.609 4.139 447 HE1 TYR 51 HE2 TYR 51 24.157 16.214 7.576 448 HE2 TYR 51 HE1 TYR 51 23.088 16.688 3.470 449 HH TYR 51 HH TYR 51 25.311 16.381 4.348 450 H GLU 52 HN GLU 52 19.833 20.755 5.053 451 HA GLU 52 HA GLU 52 22.604 21.384 4.638 452 HB2 GLU 52 HB2 GLU 52 20.053 22.253 3.218 453 HB3 GLU 52 HB1 GLU 52 21.669 22.723 2.696 454 HG2 GLU 52 HG2 GLU 52 20.688 19.858 2.871 455 HG3 GLU 52 HG1 GLU 52 20.686 20.840 1.402 456 H GLU 53 HN GLU 53 20.073 22.862 6.423 457 HA GLU 53 HA GLU 53 19.577 24.872 7.317 458 HB2 GLU 53 HB2 GLU 53 22.556 25.412 6.910 459 HB3 GLU 53 HB1 GLU 53 21.480 26.455 7.837 460 HG2 GLU 53 HG2 GLU 53 22.187 23.572 8.491 461 HG3 GLU 53 HG1 GLU 53 22.825 25.005 9.294 462 H LYS 54 HN LYS 54 19.523 24.406 4.405 463 HA LYS 54 HA LYS 54 20.147 26.959 3.139 464 HB2 LYS 54 HB2 LYS 54 20.135 24.197 2.267 465 HB3 LYS 54 HB1 LYS 54 18.977 25.042 1.273 466 HG2 LYS 54 HG2 LYS 54 21.885 25.869 1.623 467 HG3 LYS 54 HG1 LYS 54 21.248 24.926 0.268 468 HD2 LYS 54 HD2 LYS 54 20.418 27.770 1.006 469 HD3 LYS 54 HD1 LYS 54 21.515 27.330 -0.308 470 HE2 LYS 54 HE2 LYS 54 19.642 26.080 -1.409 471 HE3 LYS 54 HE1 LYS 54 18.566 26.595 -0.105 472 HZ1 LYS 54 HZ1 LYS 54 18.333 28.015 -2.006 473 HZ2 LYS 54 HZ2 LYS 54 19.983 28.357 -2.006 474 HZ3 LYS 54 HZ3 LYS 54 19.015 28.897 -0.731 475 H GLU 55 HN GLU 55 18.609 28.467 3.249 476 HA GLU 55 HA GLU 55 15.773 27.941 3.147 477 HB2 GLU 55 HB2 GLU 55 16.697 29.946 4.283 478 HB3 GLU 55 HB1 GLU 55 17.322 30.534 2.744 479 HG2 GLU 55 HG2 GLU 55 14.964 30.644 1.896 480 HG3 GLU 55 HG1 GLU 55 14.405 30.185 3.508 481 H GLU 56 HN GLU 56 14.937 27.241 1.386 482 HA GLU 56 HA GLU 56 15.884 26.511 -0.957 483 HB2 GLU 56 HB2 GLU 56 13.057 27.610 -0.824 484 HB3 GLU 56 HB1 GLU 56 13.646 26.319 -1.852 485 HG2 GLU 56 HG2 GLU 56 12.465 25.115 -0.250 486 HG3 GLU 56 HG1 GLU 56 14.084 25.071 0.445 487 H1 ALA 1 HT1 ALA 1 -1.845 17.064 8.851 488 H2 ALA 1 HT2 ALA 1 -0.687 18.187 8.355 489 H3 ALA 1 HT3 ALA 1 -1.417 18.350 9.868 490 HA ALA 1 HA ALA 1 -0.426 16.329 10.635 491 HB1 ALA 1 HB1 ALA 1 -0.321 15.150 8.477 492 HB2 ALA 1 HB2 ALA 1 1.247 15.141 9.286 493 HB3 ALA 1 HB3 ALA 1 0.956 16.240 7.933 494 H ARG 2 HN ARG 2 1.053 16.954 12.083 495 HA ARG 2 HA ARG 2 2.358 19.531 11.727 496 HB2 ARG 2 HB2 ARG 2 0.974 18.812 13.786 497 HB3 ARG 2 HB1 ARG 2 2.340 17.817 14.249 498 HG2 ARG 2 HG2 ARG 2 2.629 20.814 13.833 499 HG3 ARG 2 HG1 ARG 2 2.076 20.140 15.366 500 HD2 ARG 2 HD2 ARG 2 4.752 19.594 14.025 501 HD3 ARG 2 HD1 ARG 2 4.488 20.615 15.444 502 HE ARG 2 HE ARG 2 3.478 18.201 16.201 503 HH11 ARG 2 HH11 ARG 2 6.619 19.147 14.934 504 HH12 ARG 2 HH12 ARG 2 7.452 17.868 15.756 505 HH21 ARG 2 HH21 ARG 2 4.602 16.554 17.273 506 HH22 ARG 2 HH22 ARG 2 6.317 16.407 17.080 507 H THR 3 HN THR 3 4.021 19.176 10.357 508 HA THR 3 HA THR 3 6.082 18.701 9.580 509 HB THR 3 HB THR 3 7.945 19.045 11.237 510 HG1 THR 3 HG1 THR 3 6.866 18.098 13.055 511 HG21 THR 3 HG21 THR 3 6.902 20.995 10.144 512 HG22 THR 3 HG22 THR 3 7.362 21.382 11.803 513 HG23 THR 3 HG23 THR 3 5.671 21.058 11.419 514 H LYS 4 HN LYS 4 4.899 16.379 9.435 515 HA LYS 4 HA LYS 4 6.713 14.346 10.544 516 HB2 LYS 4 HB2 LYS 4 4.065 14.174 9.076 517 HB3 LYS 4 HB1 LYS 4 5.117 12.762 9.195 518 HG2 LYS 4 HG2 LYS 4 5.067 12.949 11.668 519 HG3 LYS 4 HG1 LYS 4 3.959 14.321 11.537 520 HD2 LYS 4 HD2 LYS 4 2.196 12.953 10.696 521 HD3 LYS 4 HD1 LYS 4 3.292 11.622 10.311 522 HE2 LYS 4 HE2 LYS 4 1.908 11.139 12.303 523 HE3 LYS 4 HE1 LYS 4 3.628 11.166 12.687 524 HZ1 LYS 4 HZ1 LYS 4 2.326 12.295 14.364 525 HZ2 LYS 4 HZ2 LYS 4 1.698 13.355 13.216 526 HZ3 LYS 4 HZ3 LYS 4 3.343 13.400 13.582 527 H GLN 5 HN GLN 5 8.585 15.056 9.461 528 HA GLN 5 HA GLN 5 8.888 14.958 6.623 529 HB2 GLN 5 HB2 GLN 5 10.980 14.627 8.824 530 HB3 GLN 5 HB1 GLN 5 11.337 14.870 7.116 531 HG2 GLN 5 HG2 GLN 5 9.910 16.853 8.920 532 HG3 GLN 5 HG1 GLN 5 11.606 16.940 8.446 533 HE21 GLN 5 HE21 GLN 5 9.439 18.873 7.989 534 HE22 GLN 5 HE22 GLN 5 9.360 19.101 6.280 535 H THR 6 HN THR 6 9.231 13.210 5.338 536 HA THR 6 HA THR 6 9.781 10.543 6.379 537 HB THR 6 HB THR 6 7.130 11.140 4.960 538 HG1 THR 6 HG1 THR 6 7.814 11.021 7.641 539 HG21 THR 6 HG21 THR 6 6.527 8.810 5.492 540 HG22 THR 6 HG22 THR 6 8.112 8.556 6.224 541 HG23 THR 6 HG23 THR 6 7.981 8.854 4.490 542 H ALA 7 HN ALA 7 10.235 9.034 4.637 543 HA ALA 7 HA ALA 7 10.342 10.050 1.879 544 HB1 ALA 7 HB1 ALA 7 12.667 9.251 1.586 545 HB2 ALA 7 HB2 ALA 7 12.741 8.824 3.300 546 HB3 ALA 7 HB3 ALA 7 12.577 10.513 2.816 547 H ARG 8 HN ARG 8 10.524 8.228 0.281 548 HA ARG 8 HA ARG 8 9.537 5.627 1.228 549 HB2 ARG 8 HB2 ARG 8 10.234 6.621 -1.574 550 HB3 ARG 8 HB1 ARG 8 9.748 4.969 -1.241 551 HG2 ARG 8 HG2 ARG 8 7.826 6.001 -2.083 552 HG3 ARG 8 HG1 ARG 8 7.554 5.931 -0.341 553 HD2 ARG 8 HD2 ARG 8 8.124 8.300 -0.134 554 HD3 ARG 8 HD1 ARG 8 8.545 8.374 -1.853 555 HE ARG 8 HE ARG 8 5.800 7.796 -0.867 556 HH11 ARG 8 HH11 ARG 8 7.928 9.556 -3.059 557 HH12 ARG 8 HH12 ARG 8 6.617 10.302 -3.909 558 HH21 ARG 8 HH21 ARG 8 4.114 8.804 -1.973 559 HH22 ARG 8 HH22 ARG 8 4.449 9.872 -3.295 560 H M3L 9 HN M3L 9 10.764 3.685 1.128 561 HA M3L 9 HA M3L 9 13.659 3.914 0.809 562 HB2 M3L 9 HB2 M3L 9 11.876 1.604 1.678 563 HB3 M3L 9 HB1 M3L 9 13.601 1.400 1.371 564 HG2 M3L 9 HG2 M3L 9 14.006 3.245 3.074 565 HG3 M3L 9 HG1 M3L 9 12.295 3.118 3.505 566 HD2 M3L 9 HD2 M3L 9 12.623 0.784 4.224 567 HD3 M3L 9 HD1 M3L 9 14.299 0.818 3.649 568 HE2 M3L 9 HE2 M3L 9 14.771 2.664 5.284 569 HE3 M3L 9 HE1 M3L 9 13.130 2.492 5.910 570 HM11 M3L 9 HH33 M3L 9 12.505 0.422 7.221 571 HM12 M3L 9 HH31 M3L 9 13.701 -0.843 7.504 572 HM13 M3L 9 HH32 M3L 9 13.014 -0.623 5.892 573 HM21 M3L 9 HH11 M3L 9 16.010 -0.638 6.543 574 HM22 M3L 9 HH12 M3L 9 16.447 0.781 5.591 575 HM23 M3L 9 HH13 M3L 9 15.327 -0.411 4.931 576 HM31 M3L 9 HH21 M3L 9 15.755 2.243 7.500 577 HM32 M3L 9 HH22 M3L 9 15.304 0.813 8.431 578 HM33 M3L 9 HH23 M3L 9 14.130 2.108 8.185 579 H SER 10 HN SER 10 14.836 2.387 -0.547 580 HA SER 10 HA SER 10 13.763 2.153 -3.226 581 HB2 SER 10 HB2 SER 10 16.099 1.159 -3.664 582 HB3 SER 10 HB1 SER 10 16.056 2.817 -3.064 583 HG SER 10 HG SER 10 17.124 2.201 -1.381 584 H THR 11 HN THR 11 12.014 0.708 -2.112 585 HA THR 11 HA THR 11 12.618 -2.008 -1.452 586 HB THR 11 HB THR 11 10.636 -0.978 -0.486 587 HG1 THR 11 HG1 THR 11 10.588 -3.325 -1.750 588 HG21 THR 11 HG21 THR 11 9.519 -0.759 -3.304 589 HG22 THR 11 HG22 THR 11 10.055 0.595 -2.303 590 HG23 THR 11 HG23 THR 11 8.653 -0.364 -1.815 591 H GLY 12 HN GLY 12 11.856 -0.347 -4.439 592 HA2 GLY 12 HA2 GLY 12 12.103 -2.902 -5.958 593 HA3 GLY 12 HA1 GLY 12 11.237 -1.474 -6.524 594 H GLY 13 HN GLY 13 14.279 -1.222 -4.835 595 HA2 GLY 13 HA2 GLY 13 15.577 -0.134 -7.276 596 HA3 GLY 13 HA1 GLY 13 15.815 0.483 -5.645 597 H LYS 14 HN LYS 14 17.645 -0.684 -7.714 598 HA LYS 14 HA LYS 14 18.793 -3.017 -6.335 599 HB2 LYS 14 HB2 LYS 14 19.537 -1.763 -9.026 600 HB3 LYS 14 HB1 LYS 14 20.275 -3.203 -8.340 601 HG2 LYS 14 HG2 LYS 14 18.779 -4.009 -9.964 602 HG3 LYS 14 HG1 LYS 14 17.967 -4.286 -8.432 603 HD2 LYS 14 HD2 LYS 14 16.302 -3.511 -9.960 604 HD3 LYS 14 HD1 LYS 14 16.617 -2.162 -8.870 605 HE2 LYS 14 HE2 LYS 14 17.898 -2.420 -11.614 606 HE3 LYS 14 HE1 LYS 14 16.374 -1.585 -11.343 607 HZ1 LYS 14 HZ1 LYS 14 18.251 -0.072 -11.424 608 HZ2 LYS 14 HZ2 LYS 14 18.969 -0.848 -10.109 609 HZ3 LYS 14 HZ3 LYS 14 17.505 -0.023 -9.913 610 H ALA 15 HN ALA 15 21.041 -3.042 -5.786 611 HA ALA 15 HA ALA 15 22.621 -0.608 -5.801 612 HB1 ALA 15 HB1 ALA 15 21.292 -0.290 -3.748 613 HB2 ALA 15 HB2 ALA 15 22.985 -0.577 -3.347 614 HB3 ALA 15 HB3 ALA 15 21.801 -1.872 -3.148 Start of MODEL 7 1 H1 GLY 1 HT1 GLY 1 1.503 -0.585 -0.250 2 H2 GLY 1 HT2 GLY 1 2.094 -1.674 -1.392 3 H3 GLY 1 HT3 GLY 1 0.513 -1.103 -1.520 4 HA2 GLY 1 HA1 GLY 1 1.881 -0.008 -3.131 5 HA3 GLY 1 HA2 GLY 1 1.319 1.133 -1.919 6 H GLU 2 HN GLU 2 2.880 2.544 -1.391 7 HA GLU 2 HA GLU 2 5.708 1.840 -1.737 8 HB2 GLU 2 HB2 GLU 2 6.097 4.318 -1.451 9 HB3 GLU 2 HB1 GLU 2 5.082 3.885 -2.821 10 HG2 GLU 2 HG2 GLU 2 3.069 4.471 -1.401 11 HG3 GLU 2 HG1 GLU 2 4.188 5.077 -0.177 12 H GLN 3 HN GLN 3 7.088 1.497 -0.126 13 HA GLN 3 HA GLN 3 6.225 1.443 2.631 14 HB2 GLN 3 HB2 GLN 3 7.720 -0.318 1.696 15 HB3 GLN 3 HB1 GLN 3 8.968 0.887 1.402 16 HG2 GLN 3 HG2 GLN 3 9.290 1.234 3.767 17 HG3 GLN 3 HG1 GLN 3 7.902 0.227 4.166 18 HE21 GLN 3 HE21 GLN 3 8.102 -2.034 4.020 19 HE22 GLN 3 HE22 GLN 3 9.635 -2.820 3.903 20 H VAL 4 HN VAL 4 5.768 3.594 3.113 21 HA VAL 4 HA VAL 4 8.005 5.519 3.212 22 HB VAL 4 HB VAL 4 6.354 7.288 3.644 23 HG11 VAL 4 HG11 VAL 4 5.197 7.316 1.472 24 HG12 VAL 4 HG12 VAL 4 5.521 5.592 1.264 25 HG13 VAL 4 HG13 VAL 4 6.857 6.741 1.313 26 HG21 VAL 4 HG21 VAL 4 4.190 5.146 3.499 27 HG22 VAL 4 HG22 VAL 4 3.905 6.889 3.597 28 HG23 VAL 4 HG23 VAL 4 4.669 6.043 4.943 29 H PHE 5 HN PHE 5 8.829 6.197 5.094 30 HA PHE 5 HA PHE 5 7.477 5.629 7.653 31 HB2 PHE 5 HB2 PHE 5 10.296 4.847 6.859 32 HB3 PHE 5 HB1 PHE 5 10.002 5.335 8.521 33 HD1 PHE 5 HD2 PHE 5 8.749 2.911 5.923 34 HD2 PHE 5 HD1 PHE 5 9.302 3.729 10.085 35 HE1 PHE 5 HE2 PHE 5 8.032 0.624 6.476 36 HE2 PHE 5 HE1 PHE 5 8.592 1.438 10.625 37 HZ PHE 5 HZ PHE 5 7.957 -0.114 8.824 38 H ALA 6 HN ALA 6 8.151 7.031 9.354 39 HA ALA 6 HA ALA 6 8.771 9.743 8.556 40 HB1 ALA 6 HB1 ALA 6 7.095 9.339 10.320 41 HB2 ALA 6 HB2 ALA 6 8.444 10.291 10.942 42 HB3 ALA 6 HB3 ALA 6 8.322 8.573 11.331 43 H VAL 7 HN VAL 7 10.612 10.865 9.110 44 HA VAL 7 HA VAL 7 13.049 9.268 9.385 45 HB VAL 7 HB VAL 7 14.237 11.286 8.664 46 HG11 VAL 7 HG11 VAL 7 13.275 11.575 6.412 47 HG12 VAL 7 HG12 VAL 7 11.757 10.850 6.950 48 HG13 VAL 7 HG13 VAL 7 13.231 9.879 6.899 49 HG21 VAL 7 HG21 VAL 7 12.940 12.996 9.863 50 HG22 VAL 7 HG22 VAL 7 11.545 12.714 8.820 51 HG23 VAL 7 HG23 VAL 7 13.021 13.400 8.152 52 H GLU 8 HN GLU 8 14.606 9.640 10.963 53 HA GLU 8 HA GLU 8 14.042 11.281 13.289 54 HB2 GLU 8 HB2 GLU 8 15.360 9.145 13.411 55 HB3 GLU 8 HB1 GLU 8 16.627 9.882 12.438 56 HG2 GLU 8 HG2 GLU 8 17.112 11.478 14.196 57 HG3 GLU 8 HG1 GLU 8 15.738 10.910 15.144 58 H SER 9 HN SER 9 16.534 11.199 10.729 59 HA SER 9 HA SER 9 16.249 13.943 9.959 60 HB2 SER 9 HB2 SER 9 18.833 13.118 11.380 61 HB3 SER 9 HB1 SER 9 18.643 14.610 10.455 62 HG SER 9 HG SER 9 16.719 14.814 12.065 63 H ILE 10 HN ILE 10 18.027 14.443 8.191 64 HA ILE 10 HA ILE 10 18.744 12.098 6.614 65 HB ILE 10 HB ILE 10 19.642 15.007 6.302 66 HG12 ILE 10 HG12 ILE 10 17.204 14.782 5.974 67 HG13 ILE 10 HG11 ILE 10 18.007 15.187 4.467 68 HG21 ILE 10 HG21 ILE 10 21.242 13.475 5.265 69 HG22 ILE 10 HG22 ILE 10 20.368 14.376 4.027 70 HG23 ILE 10 HG23 ILE 10 19.944 12.693 4.353 71 HD11 ILE 10 HD11 ILE 10 16.242 13.572 4.110 72 HD12 ILE 10 HD12 ILE 10 16.988 12.455 5.253 73 HD13 ILE 10 HD13 ILE 10 17.807 12.850 3.739 74 H ARG 11 HN ARG 11 20.386 10.850 7.286 75 HA ARG 11 HA ARG 11 22.254 11.505 9.326 76 HB2 ARG 11 HB2 ARG 11 21.297 9.167 8.465 77 HB3 ARG 11 HB1 ARG 11 22.686 9.196 7.398 78 HG2 ARG 11 HG2 ARG 11 22.789 9.266 10.437 79 HG3 ARG 11 HG1 ARG 11 23.047 7.838 9.438 80 HD2 ARG 11 HD2 ARG 11 25.044 8.951 8.442 81 HD3 ARG 11 HD1 ARG 11 24.799 10.323 9.529 82 HE ARG 11 HE ARG 11 25.553 7.573 10.321 83 HH11 ARG 11 HH11 ARG 11 25.340 10.999 11.175 84 HH12 ARG 11 HH12 ARG 11 26.268 10.798 12.623 85 HH21 ARG 11 HH21 ARG 11 26.759 7.366 12.216 86 HH22 ARG 11 HH22 ARG 11 27.069 8.755 13.207 87 H LYS 12 HN LYS 12 22.682 10.947 5.789 88 HA LYS 12 HA LYS 12 24.894 12.882 5.666 89 HB2 LYS 12 HB2 LYS 12 25.152 9.981 4.750 90 HB3 LYS 12 HB1 LYS 12 26.246 11.258 4.224 91 HG2 LYS 12 HG2 LYS 12 26.970 11.597 6.565 92 HG3 LYS 12 HG1 LYS 12 25.865 10.320 7.085 93 HD2 LYS 12 HD2 LYS 12 27.124 8.672 5.736 94 HD3 LYS 12 HD1 LYS 12 28.209 9.949 5.176 95 HE2 LYS 12 HE2 LYS 12 28.966 10.310 7.509 96 HE3 LYS 12 HE1 LYS 12 27.898 9.012 8.051 97 HZ1 LYS 12 HZ1 LYS 12 30.137 8.696 6.131 98 HZ2 LYS 12 HZ2 LYS 12 29.148 7.460 6.724 99 HZ3 LYS 12 HZ3 LYS 12 30.190 8.288 7.768 100 H LYS 13 HN LYS 13 25.609 13.184 3.340 101 HA LYS 13 HA LYS 13 23.599 12.758 1.262 102 HB2 LYS 13 HB2 LYS 13 22.761 14.840 2.201 103 HB3 LYS 13 HB1 LYS 13 24.380 15.526 2.293 104 HG2 LYS 13 HG2 LYS 13 24.468 15.562 -0.214 105 HG3 LYS 13 HG1 LYS 13 22.809 14.956 -0.254 106 HD2 LYS 13 HD2 LYS 13 22.051 17.012 0.938 107 HD3 LYS 13 HD1 LYS 13 23.714 17.612 0.947 108 HE2 LYS 13 HE2 LYS 13 23.717 17.709 -1.505 109 HE3 LYS 13 HE1 LYS 13 22.102 17.001 -1.563 110 HZ1 LYS 13 HZ1 LYS 13 21.983 19.353 -1.870 111 HZ2 LYS 13 HZ2 LYS 13 22.824 19.647 -0.434 112 HZ3 LYS 13 HZ3 LYS 13 21.279 18.967 -0.383 113 H ARG 14 HN ARG 14 24.565 12.553 -0.686 114 HA ARG 14 HA ARG 14 27.066 13.795 -1.412 115 HB2 ARG 14 HB2 ARG 14 28.455 11.841 -1.634 116 HB3 ARG 14 HB1 ARG 14 27.769 11.758 -0.015 117 HG2 ARG 14 HG2 ARG 14 25.973 10.205 -1.074 118 HG3 ARG 14 HG1 ARG 14 27.080 10.088 -2.446 119 HD2 ARG 14 HD2 ARG 14 27.614 9.266 0.430 120 HD3 ARG 14 HD1 ARG 14 27.413 8.196 -0.961 121 HE ARG 14 HE ARG 14 29.627 10.034 -1.203 122 HH11 ARG 14 HH11 ARG 14 28.669 6.821 -0.126 123 HH12 ARG 14 HH12 ARG 14 30.307 6.279 0.087 124 HH21 ARG 14 HH21 ARG 14 31.755 9.327 -0.873 125 HH22 ARG 14 HH22 ARG 14 32.052 7.699 -0.340 126 H VAL 15 HN VAL 15 27.716 12.926 -3.723 127 HA VAL 15 HA VAL 15 25.309 12.000 -5.191 128 HB VAL 15 HB VAL 15 25.811 14.280 -5.875 129 HG11 VAL 15 HG11 VAL 15 27.917 14.958 -6.976 130 HG12 VAL 15 HG12 VAL 15 28.603 13.365 -6.640 131 HG13 VAL 15 HG13 VAL 15 28.187 14.441 -5.306 132 HG21 VAL 15 HG21 VAL 15 26.024 13.968 -8.322 133 HG22 VAL 15 HG22 VAL 15 24.950 12.764 -7.606 134 HG23 VAL 15 HG23 VAL 15 26.595 12.315 -8.062 135 H ARG 16 HN ARG 16 25.476 9.978 -5.720 136 HA ARG 16 HA ARG 16 28.047 8.679 -6.315 137 HB2 ARG 16 HB2 ARG 16 25.344 7.556 -5.438 138 HB3 ARG 16 HB1 ARG 16 26.691 6.540 -5.949 139 HG2 ARG 16 HG2 ARG 16 26.723 8.436 -3.575 140 HG3 ARG 16 HG1 ARG 16 26.490 6.685 -3.496 141 HD2 ARG 16 HD2 ARG 16 28.984 8.110 -4.514 142 HD3 ARG 16 HD1 ARG 16 28.814 7.296 -2.955 143 HE ARG 16 HE ARG 16 28.233 5.299 -4.639 144 HH11 ARG 16 HH11 ARG 16 30.904 7.574 -4.754 145 HH12 ARG 16 HH12 ARG 16 31.994 6.440 -5.486 146 HH21 ARG 16 HH21 ARG 16 29.664 3.837 -5.621 147 HH22 ARG 16 HH22 ARG 16 31.292 4.325 -5.977 148 H LYS 17 HN LYS 17 28.288 9.217 -8.467 149 HA LYS 17 HA LYS 17 28.211 8.844 -10.703 150 HB2 LYS 17 HB2 LYS 17 26.362 6.532 -9.976 151 HB3 LYS 17 HB1 LYS 17 27.202 6.738 -11.515 152 HG2 LYS 17 HG2 LYS 17 29.378 6.509 -10.351 153 HG3 LYS 17 HG1 LYS 17 28.531 6.318 -8.814 154 HD2 LYS 17 HD2 LYS 17 29.221 4.134 -9.656 155 HD3 LYS 17 HD1 LYS 17 27.459 4.245 -9.669 156 HE2 LYS 17 HE2 LYS 17 28.299 3.178 -11.728 157 HE3 LYS 17 HE1 LYS 17 27.504 4.709 -12.096 158 HZ1 LYS 17 HZ1 LYS 17 30.441 4.331 -11.852 159 HZ2 LYS 17 HZ2 LYS 17 29.653 5.763 -12.282 160 HZ3 LYS 17 HZ3 LYS 17 29.591 4.424 -13.310 161 H GLY 18 HN GLY 18 26.560 10.849 -9.792 162 HA2 GLY 18 HA2 GLY 18 25.146 12.313 -10.977 163 HA3 GLY 18 HA1 GLY 18 24.508 10.960 -11.899 164 H LYS 19 HN LYS 19 24.288 9.621 -9.064 165 HA LYS 19 HA LYS 19 21.526 10.436 -8.540 166 HB2 LYS 19 HB2 LYS 19 23.297 8.270 -7.295 167 HB3 LYS 19 HB1 LYS 19 21.587 8.488 -6.950 168 HG2 LYS 19 HG2 LYS 19 22.556 7.939 -9.753 169 HG3 LYS 19 HG1 LYS 19 22.341 6.624 -8.592 170 HD2 LYS 19 HD2 LYS 19 20.195 8.544 -9.579 171 HD3 LYS 19 HD1 LYS 19 20.362 6.839 -10.009 172 HE2 LYS 19 HE2 LYS 19 19.623 8.002 -7.308 173 HE3 LYS 19 HE1 LYS 19 18.617 7.006 -8.357 174 HZ1 LYS 19 HZ1 LYS 19 21.008 6.153 -6.800 175 HZ2 LYS 19 HZ2 LYS 19 20.293 5.193 -7.991 176 HZ3 LYS 19 HZ3 LYS 19 19.407 5.627 -6.622 177 H VAL 20 HN VAL 20 21.409 12.302 -7.258 178 HA VAL 20 HA VAL 20 23.292 12.683 -5.053 179 HB VAL 20 HB VAL 20 20.755 14.292 -5.618 180 HG11 VAL 20 HG11 VAL 20 23.169 14.935 -3.864 181 HG12 VAL 20 HG12 VAL 20 21.553 14.515 -3.286 182 HG13 VAL 20 HG13 VAL 20 21.809 16.021 -4.174 183 HG21 VAL 20 HG21 VAL 20 22.272 14.441 -7.552 184 HG22 VAL 20 HG22 VAL 20 23.618 14.869 -6.494 185 HG23 VAL 20 HG23 VAL 20 22.255 15.975 -6.676 186 H GLU 21 HN GLU 21 23.078 11.432 -3.358 187 HA GLU 21 HA GLU 21 20.452 10.297 -2.654 188 HB2 GLU 21 HB2 GLU 21 23.205 9.001 -2.420 189 HB3 GLU 21 HB1 GLU 21 21.690 8.280 -1.869 190 HG2 GLU 21 HG2 GLU 21 20.859 8.332 -4.203 191 HG3 GLU 21 HG1 GLU 21 22.419 8.958 -4.735 192 H TYR 22 HN TYR 22 20.035 9.872 -0.571 193 HA TYR 22 HA TYR 22 21.470 11.436 1.478 194 HB2 TYR 22 HB2 TYR 22 18.447 11.078 1.075 195 HB3 TYR 22 HB1 TYR 22 19.194 11.907 2.445 196 HD1 TYR 22 HD1 TYR 22 18.497 12.131 -1.198 197 HD2 TYR 22 HD2 TYR 22 20.184 14.120 2.183 198 HE1 TYR 22 HE1 TYR 22 18.667 14.207 -2.496 199 HE2 TYR 22 HE2 TYR 22 20.318 16.192 0.898 200 HH TYR 22 HH TYR 22 18.746 16.708 -1.967 201 H LEU 23 HN LEU 23 22.368 9.973 2.810 202 HA LEU 23 HA LEU 23 21.280 7.410 3.478 203 HB2 LEU 23 HB2 LEU 23 23.689 8.142 3.777 204 HB3 LEU 23 HB1 LEU 23 23.170 9.191 5.086 205 HG LEU 23 HG LEU 23 22.476 7.224 6.404 206 HD11 LEU 23 HD11 LEU 23 21.825 5.715 4.606 207 HD12 LEU 23 HD12 LEU 23 23.007 4.945 5.658 208 HD13 LEU 23 HD13 LEU 23 23.506 5.569 4.084 209 HD21 LEU 23 HD21 LEU 23 25.327 7.024 5.363 210 HD22 LEU 23 HD22 LEU 23 24.723 6.309 6.860 211 HD23 LEU 23 HD23 LEU 23 24.762 8.061 6.678 212 H VAL 24 HN VAL 24 19.265 7.356 4.370 213 HA VAL 24 HA VAL 24 18.287 9.686 5.831 214 HB VAL 24 HB VAL 24 16.632 7.295 4.938 215 HG11 VAL 24 HG11 VAL 24 14.735 8.884 5.062 216 HG12 VAL 24 HG12 VAL 24 15.827 10.157 5.611 217 HG13 VAL 24 HG13 VAL 24 15.552 8.735 6.621 218 HG21 VAL 24 HG21 VAL 24 16.026 8.557 2.917 219 HG22 VAL 24 HG22 VAL 24 17.755 8.205 2.960 220 HG23 VAL 24 HG23 VAL 24 17.176 9.826 3.350 221 H LYS 25 HN LYS 25 18.680 9.580 7.984 222 HA LYS 25 HA LYS 25 18.721 7.093 9.461 223 HB2 LYS 25 HB2 LYS 25 20.178 8.987 10.119 224 HB3 LYS 25 HB1 LYS 25 18.769 9.985 10.444 225 HG2 LYS 25 HG2 LYS 25 19.773 9.112 12.511 226 HG3 LYS 25 HG1 LYS 25 18.116 8.537 12.296 227 HD2 LYS 25 HD2 LYS 25 18.966 6.355 11.495 228 HD3 LYS 25 HD1 LYS 25 20.629 6.929 11.660 229 HE2 LYS 25 HE2 LYS 25 20.008 5.519 13.562 230 HE3 LYS 25 HE1 LYS 25 20.292 7.172 14.099 231 HZ1 LYS 25 HZ1 LYS 25 17.902 7.526 14.142 232 HZ2 LYS 25 HZ2 LYS 25 18.334 6.227 15.129 233 HZ3 LYS 25 HZ3 LYS 25 17.630 5.943 13.620 234 H TRP 26 HN TRP 26 16.957 6.105 10.222 235 HA TRP 26 HA TRP 26 14.341 7.411 9.993 236 HB2 TRP 26 HB2 TRP 26 15.039 4.478 10.460 237 HB3 TRP 26 HB1 TRP 26 13.438 5.121 10.095 238 HD1 TRP 26 HD1 TRP 26 16.573 3.886 8.409 239 HE1 TRP 26 HE1 TRP 26 16.350 4.126 5.854 240 HE3 TRP 26 HE3 TRP 26 12.366 6.807 8.208 241 HZ2 TRP 26 HZ2 TRP 26 14.640 5.375 4.002 242 HZ3 TRP 26 HZ3 TRP 26 11.504 7.480 6.001 243 HH2 TRP 26 HH2 TRP 26 12.619 6.780 3.937 244 H LYS 27 HN LYS 27 12.713 7.054 11.711 245 HA LYS 27 HA LYS 27 13.825 8.327 13.994 246 HB2 LYS 27 HB2 LYS 27 11.503 8.771 14.651 247 HB3 LYS 27 HB1 LYS 27 11.829 9.187 12.983 248 HG2 LYS 27 HG2 LYS 27 9.718 8.221 12.847 249 HG3 LYS 27 HG1 LYS 27 10.775 6.887 12.394 250 HD2 LYS 27 HD2 LYS 27 9.035 6.116 13.906 251 HD3 LYS 27 HD1 LYS 27 10.599 5.970 14.684 252 HE2 LYS 27 HE2 LYS 27 10.147 8.114 15.900 253 HE3 LYS 27 HE1 LYS 27 8.534 8.150 15.181 254 HZ1 LYS 27 HZ1 LYS 27 7.984 6.134 16.331 255 HZ2 LYS 27 HZ2 LYS 27 8.592 7.247 17.449 256 HZ3 LYS 27 HZ3 LYS 27 9.561 5.969 16.918 257 H GLY 28 HN GLY 28 13.313 5.029 13.523 258 HA2 GLY 28 HA2 GLY 28 13.748 4.526 16.393 259 HA3 GLY 28 HA1 GLY 28 12.320 3.798 15.663 260 H TRP 29 HN TRP 29 15.198 4.241 13.817 261 HA TRP 29 HA TRP 29 15.819 1.343 13.879 262 HB2 TRP 29 HB2 TRP 29 15.771 3.210 11.447 263 HB3 TRP 29 HB1 TRP 29 16.369 1.554 11.423 264 HD1 TRP 29 HD1 TRP 29 13.008 3.406 12.177 265 HE1 TRP 29 HE1 TRP 29 11.080 1.878 11.438 266 HE3 TRP 29 HE3 TRP 29 15.714 -0.671 10.658 267 HZ2 TRP 29 HZ2 TRP 29 10.731 -0.691 10.352 268 HZ3 TRP 29 HZ3 TRP 29 14.494 -2.615 9.764 269 HH2 TRP 29 HH2 TRP 29 12.052 -2.624 9.614 270 HA PRO 30 HA PRO 30 19.831 2.751 15.213 271 HB2 PRO 30 HB2 PRO 30 21.433 0.664 14.269 272 HB3 PRO 30 HB1 PRO 30 20.441 0.588 15.735 273 HG2 PRO 30 HG2 PRO 30 19.811 -0.397 12.960 274 HG3 PRO 30 HG1 PRO 30 19.571 -1.217 14.517 275 HD2 PRO 30 HD2 PRO 30 17.512 -0.039 13.272 276 HD3 PRO 30 HD1 PRO 30 17.666 0.064 15.043 277 HA PRO 31 HA PRO 31 21.909 5.132 12.020 278 HB2 PRO 31 HB2 PRO 31 24.521 4.113 13.152 279 HB3 PRO 31 HB1 PRO 31 24.020 5.776 12.791 280 HG2 PRO 31 HG2 PRO 31 24.012 4.934 15.304 281 HG3 PRO 31 HG1 PRO 31 22.657 5.917 14.704 282 HD2 PRO 31 HD2 PRO 31 22.781 2.935 15.163 283 HD3 PRO 31 HD1 PRO 31 21.463 4.077 15.519 284 H LYS 32 HN LYS 32 23.020 1.779 12.412 285 HA LYS 32 HA LYS 32 24.207 1.650 9.777 286 HB2 LYS 32 HB2 LYS 32 24.502 -0.781 10.268 287 HB3 LYS 32 HB1 LYS 32 25.199 0.288 11.479 288 HG2 LYS 32 HG2 LYS 32 23.312 -0.146 12.983 289 HG3 LYS 32 HG1 LYS 32 22.559 -1.182 11.772 290 HD2 LYS 32 HD2 LYS 32 25.303 -1.736 12.978 291 HD3 LYS 32 HD1 LYS 32 23.805 -2.377 13.646 292 HE2 LYS 32 HE2 LYS 32 24.763 -4.106 12.303 293 HE3 LYS 32 HE1 LYS 32 23.377 -3.481 11.413 294 HZ1 LYS 32 HZ1 LYS 32 24.861 -2.266 9.977 295 HZ2 LYS 32 HZ2 LYS 32 25.318 -3.890 10.009 296 HZ3 LYS 32 HZ3 LYS 32 26.209 -2.745 10.880 297 H TYR 33 HN TYR 33 21.000 1.353 10.918 298 HA TYR 33 HA TYR 33 20.076 -0.092 8.512 299 HB2 TYR 33 HB2 TYR 33 18.779 0.501 11.187 300 HB3 TYR 33 HB1 TYR 33 17.787 0.079 9.797 301 HD1 TYR 33 HD2 TYR 33 21.121 -1.373 10.733 302 HD2 TYR 33 HD1 TYR 33 16.914 -2.055 10.434 303 HE1 TYR 33 HE2 TYR 33 21.477 -3.752 11.205 304 HE2 TYR 33 HE1 TYR 33 17.272 -4.444 10.912 305 HH TYR 33 HH TYR 33 19.113 -6.118 10.695 306 H SER 34 HN SER 34 20.964 2.899 8.864 307 HA SER 34 HA SER 34 18.680 4.318 7.745 308 HB2 SER 34 HB2 SER 34 20.323 6.194 7.479 309 HB3 SER 34 HB1 SER 34 20.309 5.551 9.122 310 HG SER 34 HG SER 34 22.374 5.357 8.833 311 H THR 35 HN THR 35 18.448 4.903 5.490 312 HA THR 35 HA THR 35 19.819 2.997 3.654 313 HB THR 35 HB THR 35 17.721 3.157 2.257 314 HG1 THR 35 HG1 THR 35 16.787 5.052 2.849 315 HG21 THR 35 HG21 THR 35 16.282 1.787 3.714 316 HG22 THR 35 HG22 THR 35 17.213 2.286 5.129 317 HG23 THR 35 HG23 THR 35 17.972 1.295 3.879 318 H TRP 36 HN TRP 36 21.027 3.814 1.988 319 HA TRP 36 HA TRP 36 21.068 6.596 1.248 320 HB2 TRP 36 HB2 TRP 36 22.274 4.132 -0.109 321 HB3 TRP 36 HB1 TRP 36 22.473 5.764 -0.736 322 HD1 TRP 36 HD1 TRP 36 23.937 3.376 1.777 323 HE1 TRP 36 HE1 TRP 36 25.865 4.534 3.026 324 HE3 TRP 36 HE3 TRP 36 23.152 8.197 0.221 325 HZ2 TRP 36 HZ2 TRP 36 26.912 7.131 3.325 326 HZ3 TRP 36 HZ3 TRP 36 24.660 9.966 1.050 327 HH2 TRP 36 HH2 TRP 36 26.503 9.437 2.572 328 H GLU 37 HN GLU 37 19.118 7.263 0.575 329 HA GLU 37 HA GLU 37 17.940 6.106 -1.877 330 HB2 GLU 37 HB2 GLU 37 16.631 7.097 0.676 331 HB3 GLU 37 HB1 GLU 37 15.750 7.174 -0.844 332 HG2 GLU 37 HG2 GLU 37 16.869 4.655 0.419 333 HG3 GLU 37 HG1 GLU 37 15.179 5.167 0.456 334 HA PRO 38 HA PRO 38 18.960 10.160 -3.515 335 HB2 PRO 38 HB2 PRO 38 17.666 10.062 -5.906 336 HB3 PRO 38 HB1 PRO 38 19.079 9.055 -5.560 337 HG2 PRO 38 HG2 PRO 38 16.152 8.324 -5.356 338 HG3 PRO 38 HG1 PRO 38 17.456 7.436 -6.175 339 HD2 PRO 38 HD2 PRO 38 16.635 6.742 -3.698 340 HD3 PRO 38 HD1 PRO 38 18.352 6.628 -4.161 341 H GLU 39 HN GLU 39 17.901 12.112 -4.477 342 HA GLU 39 HA GLU 39 16.167 13.309 -2.684 343 HB2 GLU 39 HB2 GLU 39 16.077 15.176 -4.320 344 HB3 GLU 39 HB1 GLU 39 17.703 14.542 -4.099 345 HG2 GLU 39 HG2 GLU 39 17.318 13.166 -6.215 346 HG3 GLU 39 HG1 GLU 39 15.858 14.120 -6.461 347 H GLU 40 HN GLU 40 15.261 11.265 -5.280 348 HA GLU 40 HA GLU 40 12.708 12.253 -5.949 349 HB2 GLU 40 HB2 GLU 40 13.774 9.411 -6.130 350 HB3 GLU 40 HB1 GLU 40 12.369 10.039 -6.994 351 HG2 GLU 40 HG2 GLU 40 15.270 10.873 -7.374 352 HG3 GLU 40 HG1 GLU 40 14.304 9.899 -8.480 353 H HIS 41 HN HIS 41 13.755 9.928 -3.435 354 HA HIS 41 HA HIS 41 11.122 9.038 -2.735 355 HB2 HIS 41 HB2 HIS 41 12.140 7.657 -1.145 356 HB3 HIS 41 HB1 HIS 41 13.462 7.890 -2.276 357 HD1 HIS 41 HD1 HIS 41 15.443 9.406 -1.438 358 HD2 HIS 41 HD2 HIS 41 12.573 8.631 1.410 359 HE1 HIS 41 HE1 HIS 41 16.395 10.298 0.692 360 HE2 HIS 41 HE2 HIS 41 14.617 9.835 2.413 361 H ILE 42 HN ILE 42 12.871 11.872 -1.967 362 HA ILE 42 HA ILE 42 11.966 12.447 0.676 363 HB ILE 42 HB ILE 42 13.117 14.235 -1.521 364 HG12 ILE 42 HG12 ILE 42 14.644 12.426 -0.634 365 HG13 ILE 42 HG11 ILE 42 15.254 14.055 -0.377 366 HG21 ILE 42 HG21 ILE 42 12.677 14.946 1.399 367 HG22 ILE 42 HG22 ILE 42 11.853 15.650 0.006 368 HG23 ILE 42 HG23 ILE 42 13.581 15.919 0.234 369 HD11 ILE 42 HD11 ILE 42 14.572 13.952 1.967 370 HD12 ILE 42 HD12 ILE 42 15.653 12.624 1.547 371 HD13 ILE 42 HD13 ILE 42 13.923 12.330 1.714 372 H LEU 43 HN LEU 43 9.887 12.956 1.237 373 HA LEU 43 HA LEU 43 8.011 13.977 -0.810 374 HB2 LEU 43 HB2 LEU 43 7.308 12.884 1.940 375 HB3 LEU 43 HB1 LEU 43 6.215 13.168 0.591 376 HG LEU 43 HG LEU 43 8.305 10.963 0.856 377 HD11 LEU 43 HD11 LEU 43 5.286 10.807 0.582 378 HD12 LEU 43 HD12 LEU 43 6.220 10.526 2.054 379 HD13 LEU 43 HD13 LEU 43 6.393 9.434 0.683 380 HD21 LEU 43 HD21 LEU 43 8.373 11.740 -1.438 381 HD22 LEU 43 HD22 LEU 43 6.620 11.610 -1.578 382 HD23 LEU 43 HD23 LEU 43 7.600 10.159 -1.358 383 H ASP 44 HN ASP 44 10.033 15.435 1.203 384 HA ASP 44 HA ASP 44 8.347 17.785 1.618 385 HB2 ASP 44 HB2 ASP 44 8.057 16.507 3.730 386 HB3 ASP 44 HB1 ASP 44 9.805 16.416 3.930 387 HA PRO 45 HA PRO 45 12.366 19.315 0.014 388 HB2 PRO 45 HB2 PRO 45 11.760 21.997 0.021 389 HB3 PRO 45 HB1 PRO 45 11.145 20.880 -1.205 390 HG2 PRO 45 HG2 PRO 45 9.787 21.832 1.332 391 HG3 PRO 45 HG1 PRO 45 9.145 21.811 -0.331 392 HD2 PRO 45 HD2 PRO 45 8.492 19.864 1.375 393 HD3 PRO 45 HD1 PRO 45 8.857 19.458 -0.320 394 H ARG 46 HN ARG 46 10.833 20.667 2.859 395 HA ARG 46 HA ARG 46 13.006 22.051 3.985 396 HB2 ARG 46 HB2 ARG 46 10.881 22.752 4.660 397 HB3 ARG 46 HB1 ARG 46 10.260 21.112 4.795 398 HG2 ARG 46 HG2 ARG 46 11.644 20.850 6.865 399 HG3 ARG 46 HG1 ARG 46 12.010 22.577 6.768 400 HD2 ARG 46 HD2 ARG 46 10.084 22.053 8.303 401 HD3 ARG 46 HD1 ARG 46 9.640 23.133 6.977 402 HE ARG 46 HE ARG 46 9.130 20.505 6.143 403 HH11 ARG 46 HH11 ARG 46 7.901 22.661 8.640 404 HH12 ARG 46 HH12 ARG 46 6.282 22.053 8.519 405 HH21 ARG 46 HH21 ARG 46 7.045 19.737 5.980 406 HH22 ARG 46 HH22 ARG 46 5.790 20.372 6.999 407 H LEU 47 HN LEU 47 12.107 18.669 4.009 408 HA LEU 47 HA LEU 47 13.505 17.693 6.239 409 HB2 LEU 47 HB2 LEU 47 11.931 16.313 5.047 410 HB3 LEU 47 HB1 LEU 47 12.823 16.460 3.549 411 HG LEU 47 HG LEU 47 14.553 14.955 4.329 412 HD11 LEU 47 HD11 LEU 47 13.151 14.952 7.012 413 HD12 LEU 47 HD12 LEU 47 14.759 15.591 6.650 414 HD13 LEU 47 HD13 LEU 47 14.457 13.859 6.540 415 HD21 LEU 47 HD21 LEU 47 13.250 12.877 4.634 416 HD22 LEU 47 HD22 LEU 47 12.544 13.898 3.383 417 HD23 LEU 47 HD23 LEU 47 11.802 13.828 4.986 418 H VAL 48 HN VAL 48 14.641 17.991 2.859 419 HA VAL 48 HA VAL 48 17.369 17.254 3.382 420 HB VAL 48 HB VAL 48 16.012 18.625 1.016 421 HG11 VAL 48 HG11 VAL 48 18.909 17.715 1.184 422 HG12 VAL 48 HG12 VAL 48 18.338 19.375 0.994 423 HG13 VAL 48 HG13 VAL 48 18.086 18.201 -0.300 424 HG21 VAL 48 HG21 VAL 48 15.378 16.262 1.369 425 HG22 VAL 48 HG22 VAL 48 17.080 15.790 1.332 426 HG23 VAL 48 HG23 VAL 48 16.316 16.449 -0.117 427 H MET 49 HN MET 49 15.632 20.294 3.104 428 HA MET 49 HA MET 49 17.972 21.946 2.969 429 HB2 MET 49 HB2 MET 49 15.007 22.575 3.192 430 HB3 MET 49 HB1 MET 49 16.260 23.825 3.061 431 HG2 MET 49 HG2 MET 49 15.497 21.719 1.023 432 HG3 MET 49 HG1 MET 49 15.358 23.470 0.875 433 HE1 MET 49 HE1 MET 49 18.263 24.431 2.012 434 HE2 MET 49 HE2 MET 49 17.495 25.100 0.570 435 HE3 MET 49 HE3 MET 49 19.158 24.515 0.495 436 H ALA 50 HN ALA 50 15.936 20.839 5.599 437 HA ALA 50 HA ALA 50 16.957 22.700 7.577 438 HB1 ALA 50 HB1 ALA 50 15.499 20.072 8.013 439 HB2 ALA 50 HB2 ALA 50 14.741 21.660 7.883 440 HB3 ALA 50 HB3 ALA 50 15.808 21.304 9.243 441 H TYR 51 HN TYR 51 17.843 19.496 6.402 442 HA TYR 51 HA TYR 51 19.818 18.761 8.270 443 HB2 TYR 51 HB2 TYR 51 19.156 17.114 6.673 444 HB3 TYR 51 HB1 TYR 51 19.434 18.190 5.314 445 HD1 TYR 51 HD1 TYR 51 21.353 16.466 8.068 446 HD2 TYR 51 HD2 TYR 51 21.398 17.889 4.040 447 HE1 TYR 51 HE1 TYR 51 23.564 15.446 7.728 448 HE2 TYR 51 HE2 TYR 51 23.607 16.873 3.700 449 HH TYR 51 HH TYR 51 25.546 16.153 5.049 450 H GLU 52 HN GLU 52 20.029 20.721 5.318 451 HA GLU 52 HA GLU 52 22.800 21.479 5.729 452 HB2 GLU 52 HB2 GLU 52 20.728 22.481 3.724 453 HB3 GLU 52 HB1 GLU 52 22.463 22.805 3.659 454 HG2 GLU 52 HG2 GLU 52 22.910 20.406 3.372 455 HG3 GLU 52 HG1 GLU 52 21.184 20.056 3.461 456 H GLU 53 HN GLU 53 19.736 22.660 6.715 457 HA GLU 53 HA GLU 53 19.078 24.229 8.182 458 HB2 GLU 53 HB2 GLU 53 22.059 24.683 8.602 459 HB3 GLU 53 HB1 GLU 53 20.802 25.427 9.588 460 HG2 GLU 53 HG2 GLU 53 20.078 23.263 10.406 461 HG3 GLU 53 HG1 GLU 53 21.167 22.428 9.302 462 H LYS 54 HN LYS 54 20.219 24.961 5.262 463 HA LYS 54 HA LYS 54 20.264 27.860 5.411 464 HB2 LYS 54 HB2 LYS 54 21.580 26.539 3.682 465 HB3 LYS 54 HB1 LYS 54 20.055 26.093 2.924 466 HG2 LYS 54 HG2 LYS 54 19.594 28.473 2.449 467 HG3 LYS 54 HG1 LYS 54 21.102 28.927 3.244 468 HD2 LYS 54 HD2 LYS 54 21.434 28.953 0.836 469 HD3 LYS 54 HD1 LYS 54 22.374 27.631 1.529 470 HE2 LYS 54 HE2 LYS 54 20.575 26.041 0.849 471 HE3 LYS 54 HE1 LYS 54 19.700 27.379 0.099 472 HZ1 LYS 54 HZ1 LYS 54 20.932 26.197 -1.546 473 HZ2 LYS 54 HZ2 LYS 54 22.371 26.345 -0.672 474 HZ3 LYS 54 HZ3 LYS 54 21.649 27.715 -1.346 475 H GLU 55 HN GLU 55 18.670 29.197 4.377 476 HA GLU 55 HA GLU 55 16.618 30.018 3.912 477 HB2 GLU 55 HB2 GLU 55 15.583 27.157 3.894 478 HB3 GLU 55 HB1 GLU 55 14.613 28.575 3.502 479 HG2 GLU 55 HG2 GLU 55 16.122 29.031 1.582 480 HG3 GLU 55 HG1 GLU 55 17.012 27.553 1.946 481 H GLU 56 HN GLU 56 17.294 28.118 6.657 482 HA GLU 56 HA GLU 56 15.008 29.207 8.182 483 HB2 GLU 56 HB2 GLU 56 15.689 26.693 8.276 484 HB3 GLU 56 HB1 GLU 56 17.084 27.212 9.208 485 HG2 GLU 56 HG2 GLU 56 14.194 27.693 10.008 486 HG3 GLU 56 HG1 GLU 56 15.164 26.333 10.564 487 H1 ALA 1 HT1 ALA 1 13.095 18.603 15.453 488 H2 ALA 1 HT2 ALA 1 12.668 20.208 15.766 489 H3 ALA 1 HT3 ALA 1 12.209 19.476 14.312 490 HA ALA 1 HA ALA 1 11.288 18.650 16.999 491 HB1 ALA 1 HB1 ALA 1 9.782 20.159 14.823 492 HB2 ALA 1 HB2 ALA 1 10.361 20.853 16.339 493 HB3 ALA 1 HB3 ALA 1 9.103 19.616 16.362 494 H ARG 2 HN ARG 2 9.282 17.212 16.748 495 HA ARG 2 HA ARG 2 9.714 15.140 14.734 496 HB2 ARG 2 HB2 ARG 2 7.509 15.339 16.841 497 HB3 ARG 2 HB1 ARG 2 7.870 13.925 15.851 498 HG2 ARG 2 HG2 ARG 2 10.086 13.737 16.966 499 HG3 ARG 2 HG1 ARG 2 9.681 15.134 17.971 500 HD2 ARG 2 HD2 ARG 2 7.669 13.816 18.813 501 HD3 ARG 2 HD1 ARG 2 8.320 12.413 17.964 502 HE ARG 2 HE ARG 2 10.310 12.593 19.413 503 HH11 ARG 2 HH11 ARG 2 7.352 14.164 20.545 504 HH12 ARG 2 HH12 ARG 2 7.807 14.069 22.215 505 HH21 ARG 2 HH21 ARG 2 10.868 12.484 21.618 506 HH22 ARG 2 HH22 ARG 2 9.788 13.117 22.818 507 H THR 3 HN THR 3 9.362 16.744 13.020 508 HA THR 3 HA THR 3 6.606 17.555 12.413 509 HB THR 3 HB THR 3 9.180 18.048 10.814 510 HG1 THR 3 HG1 THR 3 7.909 19.704 12.773 511 HG21 THR 3 HG21 THR 3 7.929 19.943 9.812 512 HG22 THR 3 HG22 THR 3 6.495 19.495 10.739 513 HG23 THR 3 HG23 THR 3 7.112 18.412 9.490 514 H LYS 4 HN LYS 4 5.475 16.744 10.553 515 HA LYS 4 HA LYS 4 6.102 14.102 9.663 516 HB2 LYS 4 HB2 LYS 4 3.979 16.112 8.861 517 HB3 LYS 4 HB1 LYS 4 4.185 14.626 7.941 518 HG2 LYS 4 HG2 LYS 4 3.544 14.779 10.912 519 HG3 LYS 4 HG1 LYS 4 2.386 14.434 9.619 520 HD2 LYS 4 HD2 LYS 4 3.671 12.383 9.032 521 HD3 LYS 4 HD1 LYS 4 4.808 12.724 10.341 522 HE2 LYS 4 HE2 LYS 4 1.841 12.162 10.700 523 HE3 LYS 4 HE1 LYS 4 3.137 10.993 10.954 524 HZ1 LYS 4 HZ1 LYS 4 4.004 12.383 12.725 525 HZ2 LYS 4 HZ2 LYS 4 2.389 11.986 13.035 526 HZ3 LYS 4 HZ3 LYS 4 2.791 13.527 12.467 527 H GLN 5 HN GLN 5 8.237 14.406 8.946 528 HA GLN 5 HA GLN 5 8.521 15.395 6.173 529 HB2 GLN 5 HB2 GLN 5 10.642 14.755 8.284 530 HB3 GLN 5 HB1 GLN 5 10.988 15.255 6.628 531 HG2 GLN 5 HG2 GLN 5 9.886 17.416 7.054 532 HG3 GLN 5 HG1 GLN 5 9.535 16.921 8.709 533 HE21 GLN 5 HE21 GLN 5 11.137 19.169 7.593 534 HE22 GLN 5 HE22 GLN 5 12.684 19.046 8.354 535 H THR 6 HN THR 6 7.353 13.597 5.414 536 HA THR 6 HA THR 6 8.093 10.895 6.012 537 HB THR 6 HB THR 6 6.369 10.358 4.200 538 HG1 THR 6 HG1 THR 6 5.292 12.008 3.260 539 HG21 THR 6 HG21 THR 6 5.735 10.407 6.591 540 HG22 THR 6 HG22 THR 6 4.434 11.042 5.583 541 HG23 THR 6 HG23 THR 6 5.466 12.150 6.490 542 H ALA 7 HN ALA 7 8.916 9.351 4.596 543 HA ALA 7 HA ALA 7 10.375 10.208 2.207 544 HB1 ALA 7 HB1 ALA 7 12.532 9.398 3.143 545 HB2 ALA 7 HB2 ALA 7 11.753 9.135 4.701 546 HB3 ALA 7 HB3 ALA 7 11.895 10.768 4.048 547 H ARG 8 HN ARG 8 10.429 8.551 0.736 548 HA ARG 8 HA ARG 8 9.236 5.969 1.386 549 HB2 ARG 8 HB2 ARG 8 10.358 6.913 -1.293 550 HB3 ARG 8 HB1 ARG 8 9.285 5.537 -1.022 551 HG2 ARG 8 HG2 ARG 8 7.508 7.144 -0.298 552 HG3 ARG 8 HG1 ARG 8 8.591 8.480 -0.693 553 HD2 ARG 8 HD2 ARG 8 7.503 6.401 -2.633 554 HD3 ARG 8 HD1 ARG 8 6.968 8.081 -2.490 555 HE ARG 8 HE ARG 8 9.774 7.491 -3.197 556 HH11 ARG 8 HH11 ARG 8 6.687 8.894 -4.104 557 HH12 ARG 8 HH12 ARG 8 7.294 9.582 -5.574 558 HH21 ARG 8 HH21 ARG 8 10.561 8.392 -5.142 559 HH22 ARG 8 HH22 ARG 8 9.497 9.306 -6.159 560 H M3L 9 HN M3L 9 10.259 3.959 0.488 561 HA M3L 9 HA M3L 9 13.234 3.972 0.423 562 HB2 M3L 9 HB2 M3L 9 11.501 1.686 1.485 563 HB3 M3L 9 HB1 M3L 9 13.265 1.775 1.483 564 HG2 M3L 9 HG2 M3L 9 13.112 3.712 3.067 565 HG3 M3L 9 HG1 M3L 9 11.358 3.473 3.126 566 HD2 M3L 9 HD2 M3L 9 11.764 1.138 3.970 567 HD3 M3L 9 HD1 M3L 9 13.497 1.488 4.004 568 HE2 M3L 9 HE2 M3L 9 12.975 3.398 5.584 569 HE3 M3L 9 HE1 M3L 9 11.310 2.820 5.638 570 HM11 M3L 9 HH33 M3L 9 11.489 2.544 8.106 571 HM12 M3L 9 HH31 M3L 9 13.137 3.166 8.013 572 HM13 M3L 9 HH32 M3L 9 12.820 1.624 8.802 573 HM21 M3L 9 HH11 M3L 9 10.791 0.592 6.721 574 HM22 M3L 9 HH12 M3L 9 12.091 -0.369 7.428 575 HM23 M3L 9 HH13 M3L 9 11.957 -0.220 5.673 576 HM31 M3L 9 HH21 M3L 9 14.463 0.465 7.354 577 HM32 M3L 9 HH22 M3L 9 14.838 1.999 6.558 578 HM33 M3L 9 HH23 M3L 9 14.354 0.599 5.594 579 H SER 10 HN SER 10 10.264 2.287 -0.475 580 HA SER 10 HA SER 10 11.018 1.934 -3.224 581 HB2 SER 10 HB2 SER 10 10.898 -0.565 -3.190 582 HB3 SER 10 HB1 SER 10 12.249 0.027 -2.220 583 HG SER 10 HG SER 10 11.201 -0.509 -0.394 584 H THR 11 HN THR 11 9.201 0.223 -4.143 585 HA THR 11 HA THR 11 6.626 0.410 -2.795 586 HB THR 11 HB THR 11 6.689 2.507 -4.128 587 HG1 THR 11 HG1 THR 11 4.635 2.224 -4.505 588 HG21 THR 11 HG21 THR 11 6.664 2.463 -6.586 589 HG22 THR 11 HG22 THR 11 6.946 0.722 -6.576 590 HG23 THR 11 HG23 THR 11 8.186 1.822 -5.962 591 H GLY 12 HN GLY 12 5.024 -1.021 -3.786 592 HA2 GLY 12 HA2 GLY 12 4.337 -2.674 -5.344 593 HA3 GLY 12 HA1 GLY 12 6.007 -2.957 -5.794 594 H GLY 13 HN GLY 13 7.347 -3.601 -3.633 595 HA2 GLY 13 HA2 GLY 13 7.877 -5.351 -2.246 596 HA3 GLY 13 HA1 GLY 13 6.221 -5.246 -1.660 597 H LYS 14 HN LYS 14 7.311 -6.023 -4.921 598 HA LYS 14 HA LYS 14 5.514 -8.316 -5.021 599 HB2 LYS 14 HB2 LYS 14 5.494 -6.582 -6.811 600 HB3 LYS 14 HB1 LYS 14 7.168 -6.951 -7.196 601 HG2 LYS 14 HG2 LYS 14 5.669 -7.948 -8.832 602 HG3 LYS 14 HG1 LYS 14 6.519 -9.211 -7.930 603 HD2 LYS 14 HD2 LYS 14 4.497 -9.544 -6.515 604 HD3 LYS 14 HD1 LYS 14 3.658 -8.279 -7.422 605 HE2 LYS 14 HE2 LYS 14 2.977 -10.504 -8.203 606 HE3 LYS 14 HE1 LYS 14 3.842 -9.650 -9.483 607 HZ1 LYS 14 HZ1 LYS 14 4.978 -11.747 -7.702 608 HZ2 LYS 14 HZ2 LYS 14 5.844 -10.906 -8.890 609 HZ3 LYS 14 HZ3 LYS 14 4.577 -11.930 -9.339 610 H ALA 15 HN ALA 15 6.138 -10.402 -5.074 611 HA ALA 15 HA ALA 15 8.773 -11.211 -6.036 612 HB1 ALA 15 HB1 ALA 15 9.145 -10.956 -3.603 613 HB2 ALA 15 HB2 ALA 15 9.237 -12.651 -4.076 614 HB3 ALA 15 HB3 ALA 15 7.787 -12.048 -3.271 Start of MODEL 8 1 H1 GLY 1 HT1 GLY 1 4.968 -0.639 -4.754 2 H2 GLY 1 HT2 GLY 1 5.110 0.674 -3.701 3 H3 GLY 1 HT3 GLY 1 5.710 -0.843 -3.252 4 HA2 GLY 1 HA1 GLY 1 7.356 -0.759 -4.987 5 HA3 GLY 1 HA2 GLY 1 6.719 0.799 -5.499 6 H GLU 2 HN GLU 2 7.108 2.613 -4.226 7 HA GLU 2 HA GLU 2 9.397 2.453 -2.386 8 HB2 GLU 2 HB2 GLU 2 8.126 4.797 -3.872 9 HB3 GLU 2 HB1 GLU 2 9.567 4.902 -2.858 10 HG2 GLU 2 HG2 GLU 2 10.844 3.541 -4.380 11 HG3 GLU 2 HG1 GLU 2 9.404 3.116 -5.310 12 H GLN 3 HN GLN 3 8.569 2.005 -0.366 13 HA GLN 3 HA GLN 3 6.065 3.120 0.596 14 HB2 GLN 3 HB2 GLN 3 8.089 1.207 1.809 15 HB3 GLN 3 HB1 GLN 3 6.745 1.822 2.752 16 HG2 GLN 3 HG2 GLN 3 6.298 -0.422 1.901 17 HG3 GLN 3 HG1 GLN 3 5.157 0.750 1.234 18 HE21 GLN 3 HE21 GLN 3 8.010 -1.204 0.504 19 HE22 GLN 3 HE22 GLN 3 7.769 -1.233 -1.207 20 H VAL 4 HN VAL 4 5.773 4.685 2.126 21 HA VAL 4 HA VAL 4 8.012 6.458 2.757 22 HB VAL 4 HB VAL 4 6.300 7.995 3.689 23 HG11 VAL 4 HG11 VAL 4 6.801 8.122 1.302 24 HG12 VAL 4 HG12 VAL 4 5.101 8.494 1.581 25 HG13 VAL 4 HG13 VAL 4 5.563 6.912 0.944 26 HG21 VAL 4 HG21 VAL 4 4.690 6.376 4.624 27 HG22 VAL 4 HG22 VAL 4 4.247 5.843 3.002 28 HG23 VAL 4 HG23 VAL 4 3.864 7.486 3.525 29 H PHE 5 HN PHE 5 8.893 6.781 4.750 30 HA PHE 5 HA PHE 5 7.780 5.387 7.125 31 HB2 PHE 5 HB2 PHE 5 10.704 5.438 6.212 32 HB3 PHE 5 HB1 PHE 5 10.218 4.981 7.837 33 HD1 PHE 5 HD1 PHE 5 9.770 4.029 4.244 34 HD2 PHE 5 HD2 PHE 5 9.651 2.726 8.312 35 HE1 PHE 5 HE1 PHE 5 9.470 1.707 3.495 36 HE2 PHE 5 HE2 PHE 5 9.350 0.405 7.551 37 HZ PHE 5 HZ PHE 5 9.252 -0.101 5.146 38 H ALA 6 HN ALA 6 8.388 6.354 9.146 39 HA ALA 6 HA ALA 6 8.540 9.238 9.142 40 HB1 ALA 6 HB1 ALA 6 8.341 9.036 11.593 41 HB2 ALA 6 HB2 ALA 6 8.547 7.285 11.475 42 HB3 ALA 6 HB3 ALA 6 7.120 8.056 10.779 43 H VAL 7 HN VAL 7 10.459 10.155 8.732 44 HA VAL 7 HA VAL 7 12.963 8.811 9.424 45 HB VAL 7 HB VAL 7 14.059 10.204 7.884 46 HG11 VAL 7 HG11 VAL 7 12.768 10.136 5.794 47 HG12 VAL 7 HG12 VAL 7 11.268 9.911 6.700 48 HG13 VAL 7 HG13 VAL 7 12.515 8.666 6.730 49 HG21 VAL 7 HG21 VAL 7 11.750 12.168 7.984 50 HG22 VAL 7 HG22 VAL 7 13.160 12.307 6.932 51 HG23 VAL 7 HG23 VAL 7 13.355 12.389 8.680 52 H GLU 8 HN GLU 8 14.634 9.888 10.603 53 HA GLU 8 HA GLU 8 13.702 11.696 12.718 54 HB2 GLU 8 HB2 GLU 8 15.016 9.596 13.212 55 HB3 GLU 8 HB1 GLU 8 16.405 10.318 12.416 56 HG2 GLU 8 HG2 GLU 8 16.433 12.117 14.081 57 HG3 GLU 8 HG1 GLU 8 15.000 11.439 14.856 58 H SER 9 HN SER 9 16.428 11.407 10.443 59 HA SER 9 HA SER 9 16.361 14.165 9.619 60 HB2 SER 9 HB2 SER 9 18.759 13.165 11.242 61 HB3 SER 9 HB1 SER 9 18.767 14.653 10.291 62 HG SER 9 HG SER 9 16.678 14.899 11.803 63 H ILE 10 HN ILE 10 17.986 14.561 7.853 64 HA ILE 10 HA ILE 10 18.896 12.243 6.365 65 HB ILE 10 HB ILE 10 19.791 15.157 6.098 66 HG12 ILE 10 HG12 ILE 10 17.327 14.934 5.740 67 HG13 ILE 10 HG11 ILE 10 18.179 15.441 4.287 68 HG21 ILE 10 HG21 ILE 10 20.084 12.847 4.141 69 HG22 ILE 10 HG22 ILE 10 21.378 13.614 5.066 70 HG23 ILE 10 HG23 ILE 10 20.528 14.525 3.816 71 HD11 ILE 10 HD11 ILE 10 17.173 12.657 4.864 72 HD12 ILE 10 HD12 ILE 10 18.010 13.174 3.395 73 HD13 ILE 10 HD13 ILE 10 16.432 13.846 3.795 74 H ARG 11 HN ARG 11 20.570 11.049 7.184 75 HA ARG 11 HA ARG 11 22.390 11.969 9.188 76 HB2 ARG 11 HB2 ARG 11 21.547 9.530 8.659 77 HB3 ARG 11 HB1 ARG 11 22.835 9.492 7.472 78 HG2 ARG 11 HG2 ARG 11 23.151 9.810 10.485 79 HG3 ARG 11 HG1 ARG 11 23.500 8.361 9.544 80 HD2 ARG 11 HD2 ARG 11 25.306 9.610 8.366 81 HD3 ARG 11 HD1 ARG 11 24.971 11.014 9.384 82 HE ARG 11 HE ARG 11 25.794 8.430 10.567 83 HH11 ARG 11 HH11 ARG 11 26.317 11.893 10.200 84 HH12 ARG 11 HH12 ARG 11 27.668 11.908 11.283 85 HH21 ARG 11 HH21 ARG 11 27.591 8.475 11.926 86 HH22 ARG 11 HH22 ARG 11 28.398 9.974 12.247 87 H LYS 12 HN LYS 12 22.881 11.017 5.746 88 HA LYS 12 HA LYS 12 25.010 13.026 5.415 89 HB2 LYS 12 HB2 LYS 12 25.311 10.046 4.860 90 HB3 LYS 12 HB1 LYS 12 26.349 11.247 4.099 91 HG2 LYS 12 HG2 LYS 12 27.164 11.956 6.321 92 HG3 LYS 12 HG1 LYS 12 26.107 10.771 7.086 93 HD2 LYS 12 HD2 LYS 12 28.429 9.943 6.962 94 HD3 LYS 12 HD1 LYS 12 27.342 8.929 6.008 95 HE2 LYS 12 HE2 LYS 12 29.478 9.350 4.834 96 HE3 LYS 12 HE1 LYS 12 28.115 10.014 3.939 97 HZ1 LYS 12 HZ1 LYS 12 29.980 11.527 3.969 98 HZ2 LYS 12 HZ2 LYS 12 29.981 11.563 5.658 99 HZ3 LYS 12 HZ3 LYS 12 28.674 12.202 4.803 100 H LYS 13 HN LYS 13 25.731 12.976 3.000 101 HA LYS 13 HA LYS 13 23.580 12.681 1.066 102 HB2 LYS 13 HB2 LYS 13 22.918 14.769 2.211 103 HB3 LYS 13 HB1 LYS 13 24.549 15.413 2.052 104 HG2 LYS 13 HG2 LYS 13 24.219 15.416 -0.456 105 HG3 LYS 13 HG1 LYS 13 22.534 14.951 -0.179 106 HD2 LYS 13 HD2 LYS 13 22.148 17.035 1.088 107 HD3 LYS 13 HD1 LYS 13 23.847 17.487 0.904 108 HE2 LYS 13 HE2 LYS 13 23.491 17.528 -1.589 109 HE3 LYS 13 HE1 LYS 13 21.773 17.240 -1.305 110 HZ1 LYS 13 HZ1 LYS 13 21.717 19.308 -0.021 111 HZ2 LYS 13 HZ2 LYS 13 22.187 19.566 -1.625 112 HZ3 LYS 13 HZ3 LYS 13 23.342 19.588 -0.392 113 H ARG 14 HN ARG 14 24.497 12.390 -0.921 114 HA ARG 14 HA ARG 14 26.972 13.614 -1.775 115 HB2 ARG 14 HB2 ARG 14 28.258 11.564 -2.135 116 HB3 ARG 14 HB1 ARG 14 27.822 11.679 -0.432 117 HG2 ARG 14 HG2 ARG 14 25.909 10.092 -0.895 118 HG3 ARG 14 HG1 ARG 14 26.557 9.882 -2.526 119 HD2 ARG 14 HD2 ARG 14 27.979 9.219 0.079 120 HD3 ARG 14 HD1 ARG 14 27.266 8.058 -1.050 121 HE ARG 14 HE ARG 14 29.242 9.737 -2.275 122 HH11 ARG 14 HH11 ARG 14 28.866 6.795 -0.390 123 HH12 ARG 14 HH12 ARG 14 30.394 6.154 -0.898 124 HH21 ARG 14 HH21 ARG 14 31.191 8.869 -2.951 125 HH22 ARG 14 HH22 ARG 14 31.717 7.335 -2.332 126 H VAL 15 HN VAL 15 27.582 12.488 -4.051 127 HA VAL 15 HA VAL 15 25.115 11.747 -5.514 128 HB VAL 15 HB VAL 15 25.606 14.123 -5.988 129 HG11 VAL 15 HG11 VAL 15 28.285 13.191 -7.075 130 HG12 VAL 15 HG12 VAL 15 28.032 14.139 -5.608 131 HG13 VAL 15 HG13 VAL 15 27.642 14.833 -7.183 132 HG21 VAL 15 HG21 VAL 15 24.540 12.771 -7.751 133 HG22 VAL 15 HG22 VAL 15 26.123 12.331 -8.396 134 HG23 VAL 15 HG23 VAL 15 25.578 14.009 -8.464 135 H ARG 16 HN ARG 16 25.345 10.187 -7.081 136 HA ARG 16 HA ARG 16 27.939 8.835 -7.454 137 HB2 ARG 16 HB2 ARG 16 25.392 7.441 -6.467 138 HB3 ARG 16 HB1 ARG 16 26.900 6.628 -6.886 139 HG2 ARG 16 HG2 ARG 16 26.616 8.659 -4.644 140 HG3 ARG 16 HG1 ARG 16 26.501 6.910 -4.426 141 HD2 ARG 16 HD2 ARG 16 28.953 8.244 -5.620 142 HD3 ARG 16 HD1 ARG 16 28.755 7.978 -3.891 143 HE ARG 16 HE ARG 16 29.515 6.047 -5.841 144 HH11 ARG 16 HH11 ARG 16 27.639 6.279 -2.860 145 HH12 ARG 16 HH12 ARG 16 27.985 4.652 -2.385 146 HH21 ARG 16 HH21 ARG 16 29.940 3.916 -5.173 147 HH22 ARG 16 HH22 ARG 16 29.288 3.326 -3.678 148 H LYS 17 HN LYS 17 28.007 9.218 -9.616 149 HA LYS 17 HA LYS 17 27.656 9.017 -11.838 150 HB2 LYS 17 HB2 LYS 17 25.909 6.662 -10.984 151 HB3 LYS 17 HB1 LYS 17 26.423 6.981 -12.640 152 HG2 LYS 17 HG2 LYS 17 28.273 6.384 -10.303 153 HG3 LYS 17 HG1 LYS 17 27.794 5.243 -11.567 154 HD2 LYS 17 HD2 LYS 17 28.890 6.673 -13.272 155 HD3 LYS 17 HD1 LYS 17 29.361 7.817 -12.008 156 HE2 LYS 17 HE2 LYS 17 31.216 6.317 -12.661 157 HE3 LYS 17 HE1 LYS 17 30.780 6.121 -10.962 158 HZ1 LYS 17 HZ1 LYS 17 29.593 4.130 -11.482 159 HZ2 LYS 17 HZ2 LYS 17 31.138 4.000 -12.152 160 HZ3 LYS 17 HZ3 LYS 17 29.812 4.347 -13.141 161 H GLY 18 HN GLY 18 26.131 10.905 -10.472 162 HA2 GLY 18 HA2 GLY 18 24.693 12.546 -11.324 163 HA3 GLY 18 HA1 GLY 18 23.964 11.365 -12.398 164 H LYS 19 HN LYS 19 23.940 9.679 -9.660 165 HA LYS 19 HA LYS 19 21.234 10.562 -8.875 166 HB2 LYS 19 HB2 LYS 19 22.699 7.946 -8.270 167 HB3 LYS 19 HB1 LYS 19 21.018 8.311 -7.862 168 HG2 LYS 19 HG2 LYS 19 22.156 8.166 -10.666 169 HG3 LYS 19 HG1 LYS 19 21.237 6.875 -9.876 170 HD2 LYS 19 HD2 LYS 19 19.259 8.363 -9.763 171 HD3 LYS 19 HD1 LYS 19 20.183 9.671 -10.514 172 HE2 LYS 19 HE2 LYS 19 18.736 8.554 -12.154 173 HE3 LYS 19 HE1 LYS 19 20.435 8.319 -12.564 174 HZ1 LYS 19 HZ1 LYS 19 20.346 6.107 -11.705 175 HZ2 LYS 19 HZ2 LYS 19 19.056 6.302 -12.779 176 HZ3 LYS 19 HZ3 LYS 19 18.775 6.327 -11.114 177 H VAL 20 HN VAL 20 21.276 11.969 -7.274 178 HA VAL 20 HA VAL 20 23.330 12.110 -5.259 179 HB VAL 20 HB VAL 20 20.678 13.609 -5.415 180 HG11 VAL 20 HG11 VAL 20 23.153 14.242 -3.746 181 HG12 VAL 20 HG12 VAL 20 21.603 13.667 -3.129 182 HG13 VAL 20 HG13 VAL 20 21.717 15.261 -3.876 183 HG21 VAL 20 HG21 VAL 20 23.438 14.493 -6.366 184 HG22 VAL 20 HG22 VAL 20 21.982 15.491 -6.366 185 HG23 VAL 20 HG23 VAL 20 22.068 14.064 -7.399 186 H GLU 21 HN GLU 21 23.382 10.750 -3.605 187 HA GLU 21 HA GLU 21 20.989 9.300 -2.713 188 HB2 GLU 21 HB2 GLU 21 23.926 8.824 -2.028 189 HB3 GLU 21 HB1 GLU 21 22.573 7.787 -1.573 190 HG2 GLU 21 HG2 GLU 21 22.188 7.300 -3.974 191 HG3 GLU 21 HG1 GLU 21 23.596 8.281 -4.390 192 H TYR 22 HN TYR 22 20.214 9.493 -0.697 193 HA TYR 22 HA TYR 22 21.523 11.278 1.263 194 HB2 TYR 22 HB2 TYR 22 18.539 10.832 0.718 195 HB3 TYR 22 HB1 TYR 22 19.151 11.666 2.145 196 HD1 TYR 22 HD1 TYR 22 19.196 11.818 -1.602 197 HD2 TYR 22 HD2 TYR 22 19.566 13.996 2.049 198 HE1 TYR 22 HE1 TYR 22 19.311 13.913 -2.858 199 HE2 TYR 22 HE2 TYR 22 19.661 16.098 0.788 200 HH TYR 22 HH TYR 22 18.912 16.260 -2.554 201 H LEU 23 HN LEU 23 22.488 9.899 2.648 202 HA LEU 23 HA LEU 23 21.347 7.460 3.634 203 HB2 LEU 23 HB2 LEU 23 23.792 8.021 3.816 204 HB3 LEU 23 HB1 LEU 23 23.396 9.313 4.935 205 HG LEU 23 HG LEU 23 22.554 7.651 6.571 206 HD11 LEU 23 HD11 LEU 23 23.449 5.536 4.595 207 HD12 LEU 23 HD12 LEU 23 21.788 5.906 5.065 208 HD13 LEU 23 HD13 LEU 23 22.906 5.252 6.253 209 HD21 LEU 23 HD21 LEU 23 24.898 8.366 6.700 210 HD22 LEU 23 HD22 LEU 23 25.380 7.058 5.615 211 HD23 LEU 23 HD23 LEU 23 24.725 6.688 7.213 212 H VAL 24 HN VAL 24 19.390 7.644 4.527 213 HA VAL 24 HA VAL 24 18.734 9.978 6.168 214 HB VAL 24 HB VAL 24 16.953 7.910 4.797 215 HG11 VAL 24 HG11 VAL 24 15.018 9.249 5.586 216 HG12 VAL 24 HG12 VAL 24 16.093 10.249 6.563 217 HG13 VAL 24 HG13 VAL 24 15.896 8.536 6.943 218 HG21 VAL 24 HG21 VAL 24 17.416 10.876 4.321 219 HG22 VAL 24 HG22 VAL 24 16.205 9.895 3.503 220 HG23 VAL 24 HG23 VAL 24 17.918 9.544 3.276 221 H LYS 25 HN LYS 25 18.974 9.752 8.243 222 HA LYS 25 HA LYS 25 18.920 7.231 9.640 223 HB2 LYS 25 HB2 LYS 25 20.256 9.430 10.259 224 HB3 LYS 25 HB1 LYS 25 18.750 9.959 10.991 225 HG2 LYS 25 HG2 LYS 25 20.364 7.492 11.773 226 HG3 LYS 25 HG1 LYS 25 20.295 9.017 12.661 227 HD2 LYS 25 HD2 LYS 25 17.823 8.623 12.971 228 HD3 LYS 25 HD1 LYS 25 18.024 7.042 12.233 229 HE2 LYS 25 HE2 LYS 25 19.519 6.362 14.061 230 HE3 LYS 25 HE1 LYS 25 19.372 7.968 14.792 231 HZ1 LYS 25 HZ1 LYS 25 17.115 6.087 14.336 232 HZ2 LYS 25 HZ2 LYS 25 17.016 7.600 15.087 233 HZ3 LYS 25 HZ3 LYS 25 17.885 6.353 15.820 234 H TRP 26 HN TRP 26 17.066 6.230 10.016 235 HA TRP 26 HA TRP 26 14.489 7.618 9.940 236 HB2 TRP 26 HB2 TRP 26 14.927 4.624 10.319 237 HB3 TRP 26 HB1 TRP 26 13.506 5.442 9.675 238 HD1 TRP 26 HD1 TRP 26 17.022 4.302 8.690 239 HE1 TRP 26 HE1 TRP 26 17.241 4.338 6.122 240 HE3 TRP 26 HE3 TRP 26 12.578 6.528 7.513 241 HZ2 TRP 26 HZ2 TRP 26 15.766 5.224 3.923 242 HZ3 TRP 26 HZ3 TRP 26 12.063 6.942 5.142 243 HH2 TRP 26 HH2 TRP 26 13.625 6.303 3.372 244 H LYS 27 HN LYS 27 12.992 7.479 11.770 245 HA LYS 27 HA LYS 27 14.397 8.196 14.115 246 HB2 LYS 27 HB2 LYS 27 12.316 9.265 13.386 247 HB3 LYS 27 HB1 LYS 27 11.419 7.787 13.701 248 HG2 LYS 27 HG2 LYS 27 11.574 8.021 16.034 249 HG3 LYS 27 HG1 LYS 27 12.949 9.125 15.933 250 HD2 LYS 27 HD2 LYS 27 10.122 9.811 15.020 251 HD3 LYS 27 HD1 LYS 27 10.797 10.245 16.595 252 HE2 LYS 27 HE2 LYS 27 12.561 11.569 15.466 253 HE3 LYS 27 HE1 LYS 27 11.876 11.142 13.894 254 HZ1 LYS 27 HZ1 LYS 27 11.215 13.340 14.690 255 HZ2 LYS 27 HZ2 LYS 27 10.445 12.637 16.019 256 HZ3 LYS 27 HZ3 LYS 27 9.887 12.326 14.457 257 H GLY 28 HN GLY 28 12.158 5.442 13.608 258 HA2 GLY 28 HA2 GLY 28 12.764 4.289 16.203 259 HA3 GLY 28 HA1 GLY 28 11.710 3.624 14.973 260 H TRP 29 HN TRP 29 14.579 4.327 13.461 261 HA TRP 29 HA TRP 29 15.606 1.558 13.763 262 HB2 TRP 29 HB2 TRP 29 15.748 3.390 11.321 263 HB3 TRP 29 HB1 TRP 29 16.383 1.752 11.413 264 HD1 TRP 29 HD1 TRP 29 12.945 3.588 11.511 265 HE1 TRP 29 HE1 TRP 29 11.160 2.010 10.548 266 HE3 TRP 29 HE3 TRP 29 15.818 -0.597 10.804 267 HZ2 TRP 29 HZ2 TRP 29 10.971 -0.634 9.618 268 HZ3 TRP 29 HZ3 TRP 29 14.754 -2.606 9.861 269 HH2 TRP 29 HH2 TRP 29 12.377 -2.626 9.278 270 HA PRO 30 HA PRO 30 19.340 3.563 15.328 271 HB2 PRO 30 HB2 PRO 30 21.144 1.498 14.963 272 HB3 PRO 30 HB1 PRO 30 19.960 1.538 16.275 273 HG2 PRO 30 HG2 PRO 30 19.800 0.116 13.621 274 HG3 PRO 30 HG1 PRO 30 19.412 -0.498 15.245 275 HD2 PRO 30 HD2 PRO 30 17.464 0.339 13.578 276 HD3 PRO 30 HD1 PRO 30 17.359 0.640 15.328 277 HA PRO 31 HA PRO 31 21.587 5.438 11.881 278 HB2 PRO 31 HB2 PRO 31 24.119 4.817 13.415 279 HB3 PRO 31 HB1 PRO 31 23.589 6.343 12.682 280 HG2 PRO 31 HG2 PRO 31 23.368 6.017 15.303 281 HG3 PRO 31 HG1 PRO 31 22.038 6.776 14.400 282 HD2 PRO 31 HD2 PRO 31 22.246 3.955 15.459 283 HD3 PRO 31 HD1 PRO 31 20.853 5.064 15.466 284 H LYS 32 HN LYS 32 22.603 2.222 12.954 285 HA LYS 32 HA LYS 32 24.129 1.619 10.576 286 HB2 LYS 32 HB2 LYS 32 24.167 -0.722 11.411 287 HB3 LYS 32 HB1 LYS 32 24.702 0.440 12.619 288 HG2 LYS 32 HG2 LYS 32 22.477 0.290 13.720 289 HG3 LYS 32 HG1 LYS 32 21.982 -0.912 12.523 290 HD2 LYS 32 HD2 LYS 32 23.825 -2.406 13.302 291 HD3 LYS 32 HD1 LYS 32 24.257 -1.212 14.532 292 HE2 LYS 32 HE2 LYS 32 22.043 -1.496 15.581 293 HE3 LYS 32 HE1 LYS 32 21.588 -2.664 14.336 294 HZ1 LYS 32 HZ1 LYS 32 23.823 -2.982 16.267 295 HZ2 LYS 32 HZ2 LYS 32 23.356 -4.108 15.098 296 HZ3 LYS 32 HZ3 LYS 32 22.313 -3.742 16.374 297 H TYR 33 HN TYR 33 20.758 1.087 11.600 298 HA TYR 33 HA TYR 33 20.039 -0.379 9.175 299 HB2 TYR 33 HB2 TYR 33 18.386 0.665 11.510 300 HB3 TYR 33 HB1 TYR 33 17.655 -0.114 10.114 301 HD1 TYR 33 HD1 TYR 33 20.757 -1.749 10.817 302 HD2 TYR 33 HD2 TYR 33 16.715 -1.477 12.182 303 HE1 TYR 33 HE1 TYR 33 20.977 -3.932 11.924 304 HE2 TYR 33 HE2 TYR 33 16.940 -3.663 13.283 305 HH TYR 33 HH TYR 33 18.311 -5.693 13.107 306 H SER 34 HN SER 34 20.672 2.816 9.771 307 HA SER 34 HA SER 34 18.768 4.121 8.101 308 HB2 SER 34 HB2 SER 34 21.605 4.953 8.835 309 HB3 SER 34 HB1 SER 34 20.353 6.007 8.164 310 HG SER 34 HG SER 34 19.715 4.577 10.479 311 H THR 35 HN THR 35 18.983 4.717 5.882 312 HA THR 35 HA THR 35 20.828 3.024 4.294 313 HB THR 35 HB THR 35 18.757 2.478 2.828 314 HG1 THR 35 HG1 THR 35 17.172 3.760 3.570 315 HG21 THR 35 HG21 THR 35 18.056 0.557 4.207 316 HG22 THR 35 HG22 THR 35 18.811 1.294 5.624 317 HG23 THR 35 HG23 THR 35 19.807 0.754 4.270 318 H TRP 36 HN TRP 36 21.017 3.631 2.054 319 HA TRP 36 HA TRP 36 20.817 6.525 1.564 320 HB2 TRP 36 HB2 TRP 36 22.304 4.339 0.007 321 HB3 TRP 36 HB1 TRP 36 22.349 6.055 -0.369 322 HD1 TRP 36 HD1 TRP 36 23.705 3.522 2.205 323 HE1 TRP 36 HE1 TRP 36 25.737 4.573 3.375 324 HE3 TRP 36 HE3 TRP 36 23.372 8.280 0.336 325 HZ2 TRP 36 HZ2 TRP 36 27.030 7.071 3.507 326 HZ3 TRP 36 HZ3 TRP 36 25.042 9.944 1.047 327 HH2 TRP 36 HH2 TRP 36 26.833 9.353 2.605 328 H GLU 37 HN GLU 37 18.898 7.052 0.633 329 HA GLU 37 HA GLU 37 17.969 5.546 -1.762 330 HB2 GLU 37 HB2 GLU 37 16.470 7.240 0.259 331 HB3 GLU 37 HB1 GLU 37 15.778 6.865 -1.303 332 HG2 GLU 37 HG2 GLU 37 14.840 5.438 0.369 333 HG3 GLU 37 HG1 GLU 37 15.816 4.475 -0.747 334 HA PRO 38 HA PRO 38 19.209 9.142 -4.127 335 HB2 PRO 38 HB2 PRO 38 17.171 8.630 -6.190 336 HB3 PRO 38 HB1 PRO 38 18.920 8.412 -6.274 337 HG2 PRO 38 HG2 PRO 38 17.128 6.330 -6.216 338 HG3 PRO 38 HG1 PRO 38 18.804 6.199 -5.655 339 HD2 PRO 38 HD2 PRO 38 16.280 6.498 -4.056 340 HD3 PRO 38 HD1 PRO 38 17.739 5.546 -3.703 341 H GLU 39 HN GLU 39 18.397 11.168 -5.088 342 HA GLU 39 HA GLU 39 17.226 12.677 -3.111 343 HB2 GLU 39 HB2 GLU 39 17.344 14.558 -4.687 344 HB3 GLU 39 HB1 GLU 39 18.761 13.525 -4.857 345 HG2 GLU 39 HG2 GLU 39 17.497 12.428 -6.826 346 HG3 GLU 39 HG1 GLU 39 16.399 13.796 -6.733 347 H GLU 40 HN GLU 40 15.546 11.119 -5.730 348 HA GLU 40 HA GLU 40 13.216 12.701 -5.874 349 HB2 GLU 40 HB2 GLU 40 13.953 11.060 -7.602 350 HB3 GLU 40 HB1 GLU 40 13.545 9.741 -6.512 351 HG2 GLU 40 HG2 GLU 40 11.163 10.507 -6.573 352 HG3 GLU 40 HG1 GLU 40 11.622 11.728 -7.758 353 H HIS 41 HN HIS 41 14.123 10.102 -3.668 354 HA HIS 41 HA HIS 41 11.551 9.334 -2.780 355 HB2 HIS 41 HB2 HIS 41 12.603 8.012 -1.174 356 HB3 HIS 41 HB1 HIS 41 13.835 8.145 -2.417 357 HD1 HIS 41 HD1 HIS 41 13.555 8.149 1.044 358 HD2 HIS 41 HD2 HIS 41 15.696 10.515 -1.588 359 HE1 HIS 41 HE1 HIS 41 15.459 9.030 2.360 360 HE2 HIS 41 HE2 HIS 41 16.892 10.248 0.687 361 H ILE 42 HN ILE 42 13.415 12.143 -2.014 362 HA ILE 42 HA ILE 42 12.393 12.735 0.580 363 HB ILE 42 HB ILE 42 13.517 14.653 -1.529 364 HG12 ILE 42 HG12 ILE 42 15.154 12.867 -0.932 365 HG13 ILE 42 HG11 ILE 42 15.691 14.450 -0.385 366 HG21 ILE 42 HG21 ILE 42 12.248 15.865 0.182 367 HG22 ILE 42 HG22 ILE 42 13.970 16.187 0.365 368 HG23 ILE 42 HG23 ILE 42 13.163 15.072 1.470 369 HD11 ILE 42 HD11 ILE 42 14.464 12.302 1.348 370 HD12 ILE 42 HD12 ILE 42 15.017 13.887 1.903 371 HD13 ILE 42 HD13 ILE 42 16.172 12.727 1.248 372 H LEU 43 HN LEU 43 10.253 13.125 0.968 373 HA LEU 43 HA LEU 43 8.474 14.174 -1.103 374 HB2 LEU 43 HB2 LEU 43 7.815 13.596 1.821 375 HB3 LEU 43 HB1 LEU 43 6.675 13.824 0.500 376 HG LEU 43 HG LEU 43 8.435 11.420 1.085 377 HD11 LEU 43 HD11 LEU 43 5.435 11.699 0.699 378 HD12 LEU 43 HD12 LEU 43 6.287 11.466 2.227 379 HD13 LEU 43 HD13 LEU 43 6.302 10.195 1.013 380 HD21 LEU 43 HD21 LEU 43 7.671 10.411 -1.029 381 HD22 LEU 43 HD22 LEU 43 8.714 11.804 -1.278 382 HD23 LEU 43 HD23 LEU 43 6.969 11.959 -1.514 383 H ASP 44 HN ASP 44 9.170 15.020 2.275 384 HA ASP 44 HA ASP 44 8.264 17.736 2.019 385 HB2 ASP 44 HB2 ASP 44 7.872 16.549 4.102 386 HB3 ASP 44 HB1 ASP 44 9.588 16.179 4.278 387 HA PRO 45 HA PRO 45 12.409 19.123 0.594 388 HB2 PRO 45 HB2 PRO 45 11.817 21.791 0.340 389 HB3 PRO 45 HB1 PRO 45 11.327 20.584 -0.855 390 HG2 PRO 45 HG2 PRO 45 9.708 21.787 1.389 391 HG3 PRO 45 HG1 PRO 45 9.242 21.520 -0.305 392 HD2 PRO 45 HD2 PRO 45 8.479 19.829 1.674 393 HD3 PRO 45 HD1 PRO 45 8.836 19.241 0.032 394 H ARG 46 HN ARG 46 10.599 20.277 3.331 395 HA ARG 46 HA ARG 46 12.638 21.895 4.526 396 HB2 ARG 46 HB2 ARG 46 10.212 20.636 5.875 397 HB3 ARG 46 HB1 ARG 46 11.163 22.001 6.470 398 HG2 ARG 46 HG2 ARG 46 10.407 23.354 4.536 399 HG3 ARG 46 HG1 ARG 46 9.457 21.983 3.954 400 HD2 ARG 46 HD2 ARG 46 8.019 23.573 5.124 401 HD3 ARG 46 HD1 ARG 46 8.101 22.053 6.027 402 HE ARG 46 HE ARG 46 9.955 24.181 6.811 403 HH11 ARG 46 HH11 ARG 46 6.939 22.531 7.525 404 HH12 ARG 46 HH12 ARG 46 6.884 23.103 9.160 405 HH21 ARG 46 HH21 ARG 46 9.851 24.944 8.940 406 HH22 ARG 46 HH22 ARG 46 8.532 24.470 9.962 407 H LEU 47 HN LEU 47 12.037 18.497 4.419 408 HA LEU 47 HA LEU 47 13.428 17.532 6.660 409 HB2 LEU 47 HB2 LEU 47 12.115 16.030 5.363 410 HB3 LEU 47 HB1 LEU 47 12.908 16.481 3.870 411 HG LEU 47 HG LEU 47 14.905 15.218 4.473 412 HD11 LEU 47 HD11 LEU 47 13.518 14.518 7.072 413 HD12 LEU 47 HD12 LEU 47 14.971 15.507 6.881 414 HD13 LEU 47 HD13 LEU 47 15.012 13.794 6.470 415 HD21 LEU 47 HD21 LEU 47 13.961 12.948 4.375 416 HD22 LEU 47 HD22 LEU 47 13.113 14.045 3.288 417 HD23 LEU 47 HD23 LEU 47 12.374 13.579 4.824 418 H VAL 48 HN VAL 48 14.673 18.207 3.366 419 HA VAL 48 HA VAL 48 17.434 17.666 4.048 420 HB VAL 48 HB VAL 48 16.273 18.980 1.548 421 HG11 VAL 48 HG11 VAL 48 18.674 19.491 1.776 422 HG12 VAL 48 HG12 VAL 48 18.409 18.376 0.436 423 HG13 VAL 48 HG13 VAL 48 19.041 17.774 1.971 424 HG21 VAL 48 HG21 VAL 48 17.009 16.063 2.027 425 HG22 VAL 48 HG22 VAL 48 16.475 16.747 0.487 426 HG23 VAL 48 HG23 VAL 48 15.372 16.712 1.864 427 H MET 49 HN MET 49 15.396 20.494 3.580 428 HA MET 49 HA MET 49 17.410 22.489 3.776 429 HB2 MET 49 HB2 MET 49 14.383 22.570 3.975 430 HB3 MET 49 HB1 MET 49 15.347 24.022 4.264 431 HG2 MET 49 HG2 MET 49 16.339 23.674 1.942 432 HG3 MET 49 HG1 MET 49 15.104 22.436 1.696 433 HE1 MET 49 HE1 MET 49 12.588 23.829 3.317 434 HE2 MET 49 HE2 MET 49 12.457 22.976 1.779 435 HE3 MET 49 HE3 MET 49 11.794 24.603 1.943 436 H ALA 50 HN ALA 50 15.553 20.766 6.247 437 HA ALA 50 HA ALA 50 16.279 22.525 8.427 438 HB1 ALA 50 HB1 ALA 50 15.440 20.750 9.918 439 HB2 ALA 50 HB2 ALA 50 15.313 19.642 8.546 440 HB3 ALA 50 HB3 ALA 50 14.291 21.077 8.617 441 H TYR 51 HN TYR 51 17.497 19.437 7.127 442 HA TYR 51 HA TYR 51 19.478 18.855 9.014 443 HB2 TYR 51 HB2 TYR 51 18.910 17.163 7.420 444 HB3 TYR 51 HB1 TYR 51 19.259 18.218 6.054 445 HD1 TYR 51 HD2 TYR 51 21.238 17.121 9.103 446 HD2 TYR 51 HD1 TYR 51 21.105 17.425 4.836 447 HE1 TYR 51 HE2 TYR 51 23.500 16.159 8.954 448 HE2 TYR 51 HE1 TYR 51 23.360 16.467 4.697 449 HH TYR 51 HH TYR 51 24.862 14.935 7.321 450 H GLU 52 HN GLU 52 19.872 20.576 5.898 451 HA GLU 52 HA GLU 52 22.577 21.408 6.494 452 HB2 GLU 52 HB2 GLU 52 20.726 22.151 4.190 453 HB3 GLU 52 HB1 GLU 52 22.442 22.564 4.288 454 HG2 GLU 52 HG2 GLU 52 23.005 20.142 4.345 455 HG3 GLU 52 HG1 GLU 52 21.294 19.746 4.186 456 H GLU 53 HN GLU 53 19.593 22.543 7.440 457 HA GLU 53 HA GLU 53 18.733 24.371 8.421 458 HB2 GLU 53 HB2 GLU 53 21.674 25.033 8.901 459 HB3 GLU 53 HB1 GLU 53 20.330 25.872 9.670 460 HG2 GLU 53 HG2 GLU 53 20.874 22.900 9.978 461 HG3 GLU 53 HG1 GLU 53 21.450 24.133 11.096 462 H LYS 54 HN LYS 54 19.062 24.380 5.654 463 HA LYS 54 HA LYS 54 20.080 26.880 4.668 464 HB2 LYS 54 HB2 LYS 54 20.103 24.676 3.389 465 HB3 LYS 54 HB1 LYS 54 18.363 24.814 3.224 466 HG2 LYS 54 HG2 LYS 54 19.186 25.544 1.160 467 HG3 LYS 54 HG1 LYS 54 18.816 27.049 2.002 468 HD2 LYS 54 HD2 LYS 54 21.619 25.871 2.027 469 HD3 LYS 54 HD1 LYS 54 21.058 26.838 0.670 470 HE2 LYS 54 HE2 LYS 54 21.182 27.806 3.545 471 HE3 LYS 54 HE1 LYS 54 22.393 28.143 2.305 472 HZ1 LYS 54 HZ1 LYS 54 19.538 28.967 2.221 473 HZ2 LYS 54 HZ2 LYS 54 20.674 29.264 1.006 474 HZ3 LYS 54 HZ3 LYS 54 20.859 29.978 2.527 475 H GLU 55 HN GLU 55 18.824 28.354 5.948 476 HA GLU 55 HA GLU 55 15.955 28.619 5.497 477 HB2 GLU 55 HB2 GLU 55 17.867 30.502 6.952 478 HB3 GLU 55 HB1 GLU 55 16.103 30.542 7.021 479 HG2 GLU 55 HG2 GLU 55 16.104 28.336 8.131 480 HG3 GLU 55 HG1 GLU 55 17.867 28.291 8.048 481 H GLU 56 HN GLU 56 16.070 28.804 3.209 482 HA GLU 56 HA GLU 56 17.701 30.842 1.953 483 HB2 GLU 56 HB2 GLU 56 17.289 28.486 1.030 484 HB3 GLU 56 HB1 GLU 56 15.659 29.008 0.628 485 HG2 GLU 56 HG2 GLU 56 17.045 29.132 -1.344 486 HG3 GLU 56 HG1 GLU 56 16.581 30.760 -0.851 487 H1 ALA 1 HT1 ALA 1 5.718 23.193 15.542 488 H2 ALA 1 HT2 ALA 1 4.578 24.427 15.353 489 H3 ALA 1 HT3 ALA 1 5.480 23.893 14.025 490 HA ALA 1 HA ALA 1 3.519 22.276 15.534 491 HB1 ALA 1 HB1 ALA 1 2.070 22.480 13.564 492 HB2 ALA 1 HB2 ALA 1 3.270 23.508 12.771 493 HB3 ALA 1 HB3 ALA 1 2.449 24.069 14.229 494 H ARG 2 HN ARG 2 2.888 20.298 14.160 495 HA ARG 2 HA ARG 2 5.275 18.796 13.668 496 HB2 ARG 2 HB2 ARG 2 3.757 16.870 13.261 497 HB3 ARG 2 HB1 ARG 2 3.430 17.703 14.774 498 HG2 ARG 2 HG2 ARG 2 1.445 18.762 13.801 499 HG3 ARG 2 HG1 ARG 2 1.793 18.028 12.235 500 HD2 ARG 2 HD2 ARG 2 1.545 15.765 13.309 501 HD3 ARG 2 HD1 ARG 2 1.049 16.581 14.797 502 HE ARG 2 HE ARG 2 -0.575 17.487 12.687 503 HH11 ARG 2 HH11 ARG 2 -0.096 14.586 14.620 504 HH12 ARG 2 HH12 ARG 2 -1.690 13.985 14.312 505 HH21 ARG 2 HH21 ARG 2 -2.656 16.687 12.322 506 HH22 ARG 2 HH22 ARG 2 -3.143 15.177 13.023 507 H THR 3 HN THR 3 6.371 19.523 11.941 508 HA THR 3 HA THR 3 5.430 20.003 9.319 509 HB THR 3 HB THR 3 8.182 19.071 10.253 510 HG1 THR 3 HG1 THR 3 6.961 21.257 10.860 511 HG21 THR 3 HG21 THR 3 7.446 20.513 7.678 512 HG22 THR 3 HG22 THR 3 7.932 18.819 7.794 513 HG23 THR 3 HG23 THR 3 9.075 20.098 8.211 514 H LYS 4 HN LYS 4 6.668 17.142 10.966 515 HA LYS 4 HA LYS 4 7.049 15.022 10.474 516 HB2 LYS 4 HB2 LYS 4 4.595 14.906 10.558 517 HB3 LYS 4 HB1 LYS 4 4.497 15.246 8.833 518 HG2 LYS 4 HG2 LYS 4 5.483 13.140 8.256 519 HG3 LYS 4 HG1 LYS 4 5.966 12.825 9.924 520 HD2 LYS 4 HD2 LYS 4 3.080 12.979 8.959 521 HD3 LYS 4 HD1 LYS 4 3.987 11.478 9.170 522 HE2 LYS 4 HE2 LYS 4 4.279 12.057 11.596 523 HE3 LYS 4 HE1 LYS 4 3.251 13.472 11.348 524 HZ1 LYS 4 HZ1 LYS 4 2.072 11.548 12.256 525 HZ2 LYS 4 HZ2 LYS 4 2.412 10.671 10.854 526 HZ3 LYS 4 HZ3 LYS 4 1.439 12.051 10.771 527 H GLN 5 HN GLN 5 8.934 15.736 9.450 528 HA GLN 5 HA GLN 5 9.460 15.751 6.708 529 HB2 GLN 5 HB2 GLN 5 11.793 15.039 7.444 530 HB3 GLN 5 HB1 GLN 5 11.159 16.472 8.243 531 HG2 GLN 5 HG2 GLN 5 10.507 15.006 10.188 532 HG3 GLN 5 HG1 GLN 5 11.345 13.673 9.404 533 HE21 GLN 5 HE21 GLN 5 11.831 14.877 11.982 534 HE22 GLN 5 HE22 GLN 5 13.473 15.408 11.975 535 H THR 6 HN THR 6 9.016 14.198 5.263 536 HA THR 6 HA THR 6 9.051 11.341 6.035 537 HB THR 6 HB THR 6 6.966 12.540 4.160 538 HG1 THR 6 HG1 THR 6 6.922 13.150 6.550 539 HG21 THR 6 HG21 THR 6 7.371 10.109 3.868 540 HG22 THR 6 HG22 THR 6 5.775 10.408 4.559 541 HG23 THR 6 HG23 THR 6 7.092 9.854 5.595 542 H ALA 7 HN ALA 7 9.841 9.927 4.581 543 HA ALA 7 HA ALA 7 10.518 10.711 1.851 544 HB1 ALA 7 HB1 ALA 7 12.643 9.748 3.803 545 HB2 ALA 7 HB2 ALA 7 12.509 11.379 3.143 546 HB3 ALA 7 HB3 ALA 7 12.870 10.024 2.074 547 H ARG 8 HN ARG 8 10.798 8.898 0.469 548 HA ARG 8 HA ARG 8 9.508 6.438 1.369 549 HB2 ARG 8 HB2 ARG 8 10.544 7.136 -1.416 550 HB3 ARG 8 HB1 ARG 8 9.425 5.835 -0.997 551 HG2 ARG 8 HG2 ARG 8 7.760 7.572 -0.293 552 HG3 ARG 8 HG1 ARG 8 8.882 8.822 -0.841 553 HD2 ARG 8 HD2 ARG 8 7.493 6.717 -2.540 554 HD3 ARG 8 HD1 ARG 8 7.219 8.462 -2.567 555 HE ARG 8 HE ARG 8 9.489 6.995 -3.714 556 HH11 ARG 8 HH11 ARG 8 8.037 10.139 -3.127 557 HH12 ARG 8 HH12 ARG 8 8.997 10.929 -4.331 558 HH21 ARG 8 HH21 ARG 8 10.723 8.051 -5.289 559 HH22 ARG 8 HH22 ARG 8 10.506 9.750 -5.557 560 H M3L 9 HN M3L 9 10.488 4.310 0.422 561 HA M3L 9 HA M3L 9 13.450 4.336 0.539 562 HB2 M3L 9 HB2 M3L 9 11.532 2.106 1.307 563 HB3 M3L 9 HB1 M3L 9 13.266 1.855 1.072 564 HG2 M3L 9 HG2 M3L 9 13.629 3.685 2.817 565 HG3 M3L 9 HG1 M3L 9 11.901 3.554 3.182 566 HD2 M3L 9 HD2 M3L 9 12.200 1.178 3.780 567 HD3 M3L 9 HD1 M3L 9 13.914 1.269 3.348 568 HE2 M3L 9 HE2 M3L 9 14.122 3.105 5.122 569 HE3 M3L 9 HE1 M3L 9 12.490 2.677 5.641 570 HM11 M3L 9 HH33 M3L 9 15.104 0.227 4.491 571 HM12 M3L 9 HH31 M3L 9 15.726 -0.103 6.112 572 HM13 M3L 9 HH32 M3L 9 16.008 1.471 5.359 573 HM21 M3L 9 HH11 M3L 9 13.392 -0.737 6.869 574 HM22 M3L 9 HH12 M3L 9 12.769 -0.402 5.252 575 HM23 M3L 9 HH13 M3L 9 12.061 0.399 6.655 576 HM31 M3L 9 HH21 M3L 9 14.715 0.994 8.097 577 HM32 M3L 9 HH22 M3L 9 13.386 2.142 7.912 578 HM33 M3L 9 HH23 M3L 9 15.008 2.574 7.365 579 H SER 10 HN SER 10 14.497 2.634 -0.758 580 HA SER 10 HA SER 10 13.600 2.796 -3.502 581 HB2 SER 10 HB2 SER 10 15.999 3.050 -2.917 582 HB3 SER 10 HB1 SER 10 16.033 1.407 -2.286 583 HG SER 10 HG SER 10 16.700 1.977 -4.617 584 H THR 11 HN THR 11 13.469 0.891 -4.886 585 HA THR 11 HA THR 11 12.702 -1.652 -3.634 586 HB THR 11 HB THR 11 10.584 -0.376 -3.863 587 HG1 THR 11 HG1 THR 11 10.551 -2.649 -4.140 588 HG21 THR 11 HG21 THR 11 11.164 -0.336 -6.854 589 HG22 THR 11 HG22 THR 11 11.152 1.072 -5.787 590 HG23 THR 11 HG23 THR 11 9.660 0.180 -6.089 591 H GLY 12 HN GLY 12 12.621 -3.406 -5.216 592 HA2 GLY 12 HA2 GLY 12 13.309 -4.534 -7.125 593 HA3 GLY 12 HA1 GLY 12 13.952 -3.043 -7.796 594 H GLY 13 HN GLY 13 15.612 -2.235 -5.665 595 HA2 GLY 13 HA2 GLY 13 17.583 -2.711 -4.510 596 HA3 GLY 13 HA1 GLY 13 17.557 -4.364 -5.118 597 H LYS 14 HN LYS 14 19.848 -2.742 -5.088 598 HA LYS 14 HA LYS 14 20.588 -2.751 -7.897 599 HB2 LYS 14 HB2 LYS 14 21.441 -0.428 -7.870 600 HB3 LYS 14 HB1 LYS 14 19.693 -0.480 -7.675 601 HG2 LYS 14 HG2 LYS 14 19.900 -0.042 -5.281 602 HG3 LYS 14 HG1 LYS 14 21.662 -0.105 -5.381 603 HD2 LYS 14 HD2 LYS 14 19.880 1.954 -6.765 604 HD3 LYS 14 HD1 LYS 14 20.792 2.228 -5.277 605 HE2 LYS 14 HE2 LYS 14 21.966 1.623 -8.016 606 HE3 LYS 14 HE1 LYS 14 21.986 3.182 -7.192 607 HZ1 LYS 14 HZ1 LYS 14 23.356 0.704 -6.262 608 HZ2 LYS 14 HZ2 LYS 14 23.349 2.188 -5.450 609 HZ3 LYS 14 HZ3 LYS 14 24.091 2.060 -6.961 610 H ALA 15 HN ALA 15 22.864 -2.547 -8.242 611 HA ALA 15 HA ALA 15 24.533 -3.401 -5.972 612 HB1 ALA 15 HB1 ALA 15 26.190 -4.019 -7.714 613 HB2 ALA 15 HB2 ALA 15 25.120 -3.384 -8.966 614 HB3 ALA 15 HB3 ALA 15 24.629 -4.785 -8.014 Start of MODEL 9 1 H1 GLY 1 HT1 GLY 1 7.763 -1.250 -1.873 2 H2 GLY 1 HT2 GLY 1 8.833 -0.851 -3.109 3 H3 GLY 1 HT3 GLY 1 7.870 -2.230 -3.244 4 HA2 GLY 1 HA1 GLY 1 6.981 -0.530 -4.627 5 HA3 GLY 1 HA2 GLY 1 5.887 -0.857 -3.293 6 H GLU 2 HN GLU 2 5.313 0.834 -1.981 7 HA GLU 2 HA GLU 2 6.618 3.470 -2.386 8 HB2 GLU 2 HB2 GLU 2 3.638 2.815 -2.386 9 HB3 GLU 2 HB1 GLU 2 4.298 4.449 -2.400 10 HG2 GLU 2 HG2 GLU 2 5.265 4.108 -4.595 11 HG3 GLU 2 HG1 GLU 2 4.837 2.398 -4.574 12 H GLN 3 HN GLN 3 7.270 1.860 -0.287 13 HA GLN 3 HA GLN 3 5.706 2.287 2.077 14 HB2 GLN 3 HB2 GLN 3 8.534 1.251 1.657 15 HB3 GLN 3 HB1 GLN 3 7.799 1.396 3.245 16 HG2 GLN 3 HG2 GLN 3 7.604 -0.880 2.592 17 HG3 GLN 3 HG1 GLN 3 5.992 -0.175 2.489 18 HE21 GLN 3 HE21 GLN 3 5.284 -1.773 1.056 19 HE22 GLN 3 HE22 GLN 3 5.808 -1.853 -0.587 20 H VAL 4 HN VAL 4 5.661 4.065 3.310 21 HA VAL 4 HA VAL 4 7.951 5.949 3.348 22 HB VAL 4 HB VAL 4 6.272 7.711 4.074 23 HG11 VAL 4 HG11 VAL 4 7.130 7.614 1.779 24 HG12 VAL 4 HG12 VAL 4 5.448 8.142 1.788 25 HG13 VAL 4 HG13 VAL 4 5.848 6.485 1.328 26 HG21 VAL 4 HG21 VAL 4 4.188 5.662 3.184 27 HG22 VAL 4 HG22 VAL 4 3.856 7.351 3.578 28 HG23 VAL 4 HG23 VAL 4 4.419 6.247 4.834 29 H PHE 5 HN PHE 5 8.987 6.167 5.230 30 HA PHE 5 HA PHE 5 7.685 5.260 7.737 31 HB2 PHE 5 HB2 PHE 5 10.554 4.795 6.807 32 HB3 PHE 5 HB1 PHE 5 10.032 4.547 8.470 33 HD1 PHE 5 HD2 PHE 5 9.633 3.311 4.983 34 HD2 PHE 5 HD1 PHE 5 8.781 2.578 9.103 35 HE1 PHE 5 HE2 PHE 5 8.914 1.025 4.441 36 HE2 PHE 5 HE1 PHE 5 8.055 0.299 8.536 37 HZ PHE 5 HZ PHE 5 8.120 -0.479 6.209 38 H ALA 6 HN ALA 6 8.413 6.233 9.651 39 HA ALA 6 HA ALA 6 8.637 9.055 9.580 40 HB1 ALA 6 HB1 ALA 6 7.490 7.856 11.407 41 HB2 ALA 6 HB2 ALA 6 8.779 8.883 12.038 42 HB3 ALA 6 HB3 ALA 6 9.024 7.140 11.910 43 H VAL 7 HN VAL 7 10.448 10.026 8.907 44 HA VAL 7 HA VAL 7 13.118 8.967 9.365 45 HB VAL 7 HB VAL 7 13.935 10.839 8.039 46 HG11 VAL 7 HG11 VAL 7 11.383 9.744 6.793 47 HG12 VAL 7 HG12 VAL 7 12.979 8.989 6.749 48 HG13 VAL 7 HG13 VAL 7 12.707 10.517 5.912 49 HG21 VAL 7 HG21 VAL 7 12.628 12.679 8.926 50 HG22 VAL 7 HG22 VAL 7 11.137 12.010 8.266 51 HG23 VAL 7 HG23 VAL 7 12.382 12.624 7.179 52 H GLU 8 HN GLU 8 14.732 10.065 10.516 53 HA GLU 8 HA GLU 8 13.933 11.778 12.753 54 HB2 GLU 8 HB2 GLU 8 15.483 9.787 13.011 55 HB3 GLU 8 HB1 GLU 8 16.666 10.627 12.023 56 HG2 GLU 8 HG2 GLU 8 16.812 12.413 13.739 57 HG3 GLU 8 HG1 GLU 8 15.624 11.546 14.718 58 H SER 9 HN SER 9 16.615 11.714 10.416 59 HA SER 9 HA SER 9 16.114 14.263 9.214 60 HB2 SER 9 HB2 SER 9 18.514 14.015 11.104 61 HB3 SER 9 HB1 SER 9 18.376 15.272 9.876 62 HG SER 9 HG SER 9 16.560 14.870 12.035 63 H ILE 10 HN ILE 10 18.017 14.716 7.596 64 HA ILE 10 HA ILE 10 19.081 12.321 6.390 65 HB ILE 10 HB ILE 10 19.954 15.215 5.931 66 HG12 ILE 10 HG12 ILE 10 17.535 14.893 5.412 67 HG13 ILE 10 HG11 ILE 10 18.481 15.271 3.980 68 HG21 ILE 10 HG21 ILE 10 21.651 13.624 5.156 69 HG22 ILE 10 HG22 ILE 10 20.876 14.399 3.775 70 HG23 ILE 10 HG23 ILE 10 20.440 12.746 4.217 71 HD11 ILE 10 HD11 ILE 10 18.427 12.905 3.338 72 HD12 ILE 10 HD12 ILE 10 16.816 13.597 3.509 73 HD13 ILE 10 HD13 ILE 10 17.459 12.547 4.770 74 H ARG 11 HN ARG 11 20.741 11.227 7.200 75 HA ARG 11 HA ARG 11 22.416 12.145 9.347 76 HB2 ARG 11 HB2 ARG 11 21.552 9.711 8.841 77 HB3 ARG 11 HB1 ARG 11 22.884 9.611 7.706 78 HG2 ARG 11 HG2 ARG 11 23.219 10.148 10.682 79 HG3 ARG 11 HG1 ARG 11 23.282 8.545 9.959 80 HD2 ARG 11 HD2 ARG 11 25.242 9.356 8.564 81 HD3 ARG 11 HD1 ARG 11 25.217 10.843 9.520 82 HE ARG 11 HE ARG 11 25.308 8.801 11.366 83 HH11 ARG 11 HH11 ARG 11 27.419 9.901 8.782 84 HH12 ARG 11 HH12 ARG 11 28.839 9.232 9.510 85 HH21 ARG 11 HH21 ARG 11 27.157 7.955 12.297 86 HH22 ARG 11 HH22 ARG 11 28.689 8.126 11.505 87 H LYS 12 HN LYS 12 22.827 11.492 5.863 88 HA LYS 12 HA LYS 12 25.120 13.264 5.650 89 HB2 LYS 12 HB2 LYS 12 25.957 10.945 6.468 90 HB3 LYS 12 HB1 LYS 12 25.523 10.339 4.876 91 HG2 LYS 12 HG2 LYS 12 27.138 11.823 3.821 92 HG3 LYS 12 HG1 LYS 12 27.477 12.599 5.373 93 HD2 LYS 12 HD2 LYS 12 28.440 10.516 6.243 94 HD3 LYS 12 HD1 LYS 12 28.044 9.678 4.739 95 HE2 LYS 12 HE2 LYS 12 30.431 10.318 4.841 96 HE3 LYS 12 HE1 LYS 12 29.604 11.114 3.502 97 HZ1 LYS 12 HZ1 LYS 12 29.470 13.126 4.829 98 HZ2 LYS 12 HZ2 LYS 12 31.071 12.613 4.690 99 HZ3 LYS 12 HZ3 LYS 12 30.231 12.356 6.131 100 H LYS 13 HN LYS 13 25.821 13.444 3.283 101 HA LYS 13 HA LYS 13 23.796 12.719 1.300 102 HB2 LYS 13 HB2 LYS 13 22.766 14.718 2.265 103 HB3 LYS 13 HB1 LYS 13 24.285 15.602 2.191 104 HG2 LYS 13 HG2 LYS 13 24.126 15.388 -0.365 105 HG3 LYS 13 HG1 LYS 13 22.474 14.812 -0.115 106 HD2 LYS 13 HD2 LYS 13 21.830 16.934 0.902 107 HD3 LYS 13 HD1 LYS 13 23.506 17.501 0.889 108 HE2 LYS 13 HE2 LYS 13 23.475 17.420 -1.606 109 HE3 LYS 13 HE1 LYS 13 21.777 16.940 -1.548 110 HZ1 LYS 13 HZ1 LYS 13 21.244 19.030 -0.508 111 HZ2 LYS 13 HZ2 LYS 13 22.061 19.297 -1.959 112 HZ3 LYS 13 HZ3 LYS 13 22.874 19.487 -0.491 113 H ARG 14 HN ARG 14 24.533 12.937 -0.806 114 HA ARG 14 HA ARG 14 26.873 14.341 -1.630 115 HB2 ARG 14 HB2 ARG 14 28.352 12.463 -2.142 116 HB3 ARG 14 HB1 ARG 14 27.954 12.426 -0.425 117 HG2 ARG 14 HG2 ARG 14 26.184 10.691 -0.969 118 HG3 ARG 14 HG1 ARG 14 26.843 10.641 -2.608 119 HD2 ARG 14 HD2 ARG 14 29.075 10.043 -1.599 120 HD3 ARG 14 HD1 ARG 14 28.260 9.930 -0.025 121 HE ARG 14 HE ARG 14 26.907 8.343 -1.940 122 HH11 ARG 14 HH11 ARG 14 29.823 8.288 0.028 123 HH12 ARG 14 HH12 ARG 14 30.013 6.571 -0.113 124 HH21 ARG 14 HH21 ARG 14 27.176 6.146 -2.131 125 HH22 ARG 14 HH22 ARG 14 28.495 5.350 -1.331 126 H VAL 15 HN VAL 15 27.497 13.238 -3.973 127 HA VAL 15 HA VAL 15 25.013 12.427 -5.380 128 HB VAL 15 HB VAL 15 27.211 14.246 -6.498 129 HG11 VAL 15 HG11 VAL 15 24.649 13.245 -7.820 130 HG12 VAL 15 HG12 VAL 15 26.296 12.784 -8.262 131 HG13 VAL 15 HG13 VAL 15 25.747 14.442 -8.512 132 HG21 VAL 15 HG21 VAL 15 24.331 14.926 -5.770 133 HG22 VAL 15 HG22 VAL 15 25.476 16.024 -6.545 134 HG23 VAL 15 HG23 VAL 15 25.772 15.459 -4.898 135 H ARG 16 HN ARG 16 25.236 10.425 -6.212 136 HA ARG 16 HA ARG 16 27.678 9.619 -7.579 137 HB2 ARG 16 HB2 ARG 16 27.692 8.873 -5.047 138 HB3 ARG 16 HB1 ARG 16 26.475 7.709 -5.546 139 HG2 ARG 16 HG2 ARG 16 28.556 6.584 -5.565 140 HG3 ARG 16 HG1 ARG 16 28.121 6.846 -7.254 141 HD2 ARG 16 HD2 ARG 16 29.632 8.844 -7.268 142 HD3 ARG 16 HD1 ARG 16 30.130 8.441 -5.619 143 HE ARG 16 HE ARG 16 30.541 6.616 -7.925 144 HH11 ARG 16 HH11 ARG 16 31.837 8.193 -5.052 145 HH12 ARG 16 HH12 ARG 16 33.358 7.371 -5.154 146 HH21 ARG 16 HH21 ARG 16 32.538 5.581 -8.061 147 HH22 ARG 16 HH22 ARG 16 33.760 5.893 -6.866 148 H LYS 17 HN LYS 17 27.275 7.861 -9.074 149 HA LYS 17 HA LYS 17 26.170 6.901 -10.802 150 HB2 LYS 17 HB2 LYS 17 23.981 6.631 -8.705 151 HB3 LYS 17 HB1 LYS 17 23.737 6.068 -10.349 152 HG2 LYS 17 HG2 LYS 17 24.328 4.176 -9.001 153 HG3 LYS 17 HG1 LYS 17 25.695 4.521 -10.066 154 HD2 LYS 17 HD2 LYS 17 26.888 5.614 -8.211 155 HD3 LYS 17 HD1 LYS 17 25.505 5.362 -7.140 156 HE2 LYS 17 HE2 LYS 17 27.157 3.159 -8.429 157 HE3 LYS 17 HE1 LYS 17 27.311 3.704 -6.759 158 HZ1 LYS 17 HZ1 LYS 17 25.083 2.969 -6.318 159 HZ2 LYS 17 HZ2 LYS 17 25.957 1.686 -6.992 160 HZ3 LYS 17 HZ3 LYS 17 24.848 2.541 -7.933 161 H GLY 18 HN GLY 18 26.117 9.826 -10.417 162 HA2 GLY 18 HA2 GLY 18 25.262 11.717 -11.401 163 HA3 GLY 18 HA1 GLY 18 24.328 10.670 -12.457 164 H LYS 19 HN LYS 19 23.866 10.201 -9.086 165 HA LYS 19 HA LYS 19 21.312 11.715 -9.059 166 HB2 LYS 19 HB2 LYS 19 21.824 8.915 -7.943 167 HB3 LYS 19 HB1 LYS 19 20.336 9.827 -7.735 168 HG2 LYS 19 HG2 LYS 19 21.461 8.784 -10.351 169 HG3 LYS 19 HG1 LYS 19 20.082 8.115 -9.474 170 HD2 LYS 19 HD2 LYS 19 18.812 10.211 -9.870 171 HD3 LYS 19 HD1 LYS 19 20.202 10.907 -10.710 172 HE2 LYS 19 HE2 LYS 19 20.020 9.059 -12.411 173 HE3 LYS 19 HE1 LYS 19 18.545 8.516 -11.607 174 HZ1 LYS 19 HZ1 LYS 19 17.970 9.875 -13.451 175 HZ2 LYS 19 HZ2 LYS 19 18.998 11.116 -12.955 176 HZ3 LYS 19 HZ3 LYS 19 17.616 10.758 -12.053 177 H VAL 20 HN VAL 20 20.784 12.632 -7.057 178 HA VAL 20 HA VAL 20 23.004 13.009 -5.202 179 HB VAL 20 HB VAL 20 20.183 14.133 -4.937 180 HG11 VAL 20 HG11 VAL 20 21.519 14.275 -2.870 181 HG12 VAL 20 HG12 VAL 20 21.272 15.886 -3.549 182 HG13 VAL 20 HG13 VAL 20 22.828 15.074 -3.750 183 HG21 VAL 20 HG21 VAL 20 22.549 15.399 -6.374 184 HG22 VAL 20 HG22 VAL 20 21.007 16.194 -6.044 185 HG23 VAL 20 HG23 VAL 20 21.067 14.803 -7.130 186 H GLU 21 HN GLU 21 23.323 11.544 -3.616 187 HA GLU 21 HA GLU 21 21.153 9.754 -2.743 188 HB2 GLU 21 HB2 GLU 21 24.146 9.563 -2.179 189 HB3 GLU 21 HB1 GLU 21 22.928 8.348 -1.795 190 HG2 GLU 21 HG2 GLU 21 22.512 8.103 -4.268 191 HG3 GLU 21 HG1 GLU 21 23.886 9.176 -4.552 192 H TYR 22 HN TYR 22 20.502 9.618 -0.661 193 HA TYR 22 HA TYR 22 21.606 11.486 1.354 194 HB2 TYR 22 HB2 TYR 22 18.667 10.797 0.843 195 HB3 TYR 22 HB1 TYR 22 19.256 11.770 2.185 196 HD1 TYR 22 HD2 TYR 22 18.723 11.709 -1.483 197 HD2 TYR 22 HD1 TYR 22 19.896 14.088 1.864 198 HE1 TYR 22 HE2 TYR 22 18.557 13.732 -2.858 199 HE2 TYR 22 HE1 TYR 22 19.721 16.108 0.488 200 HH TYR 22 HH TYR 22 18.208 16.136 -2.555 201 H LEU 23 HN LEU 23 22.663 10.086 2.716 202 HA LEU 23 HA LEU 23 21.661 7.557 3.607 203 HB2 LEU 23 HB2 LEU 23 24.064 8.297 3.798 204 HB3 LEU 23 HB1 LEU 23 23.581 9.490 4.993 205 HG LEU 23 HG LEU 23 22.873 7.647 6.524 206 HD11 LEU 23 HD11 LEU 23 23.482 5.325 6.038 207 HD12 LEU 23 HD12 LEU 23 24.006 5.790 4.418 208 HD13 LEU 23 HD13 LEU 23 22.308 5.942 4.878 209 HD21 LEU 23 HD21 LEU 23 25.128 8.585 6.750 210 HD22 LEU 23 HD22 LEU 23 25.752 7.427 5.572 211 HD23 LEU 23 HD23 LEU 23 25.134 6.861 7.127 212 H VAL 24 HN VAL 24 19.494 7.871 4.156 213 HA VAL 24 HA VAL 24 18.682 10.061 5.885 214 HB VAL 24 HB VAL 24 17.018 7.825 4.646 215 HG11 VAL 24 HG11 VAL 24 15.889 8.715 6.649 216 HG12 VAL 24 HG12 VAL 24 15.037 9.241 5.194 217 HG13 VAL 24 HG13 VAL 24 16.088 10.368 6.055 218 HG21 VAL 24 HG21 VAL 24 18.022 9.271 2.936 219 HG22 VAL 24 HG22 VAL 24 17.391 10.702 3.752 220 HG23 VAL 24 HG23 VAL 24 16.281 9.540 3.030 221 H LYS 25 HN LYS 25 18.864 9.849 8.036 222 HA LYS 25 HA LYS 25 18.886 7.265 9.355 223 HB2 LYS 25 HB2 LYS 25 20.335 9.002 10.273 224 HB3 LYS 25 HB1 LYS 25 18.982 10.111 10.451 225 HG2 LYS 25 HG2 LYS 25 19.702 9.126 12.608 226 HG3 LYS 25 HG1 LYS 25 18.024 8.744 12.217 227 HD2 LYS 25 HD2 LYS 25 18.726 6.477 11.454 228 HD3 LYS 25 HD1 LYS 25 20.403 6.865 11.852 229 HE2 LYS 25 HE2 LYS 25 19.342 5.501 13.614 230 HE3 LYS 25 HE1 LYS 25 19.802 7.087 14.227 231 HZ1 LYS 25 HZ1 LYS 25 17.074 6.272 13.403 232 HZ2 LYS 25 HZ2 LYS 25 17.505 7.797 14.001 233 HZ3 LYS 25 HZ3 LYS 25 17.625 6.434 14.987 234 H TRP 26 HN TRP 26 17.026 6.243 9.539 235 HA TRP 26 HA TRP 26 14.452 7.582 9.598 236 HB2 TRP 26 HB2 TRP 26 15.054 4.602 9.898 237 HB3 TRP 26 HB1 TRP 26 13.518 5.338 9.452 238 HD1 TRP 26 HD1 TRP 26 16.922 4.372 7.985 239 HE1 TRP 26 HE1 TRP 26 16.816 4.525 5.425 240 HE3 TRP 26 HE3 TRP 26 12.309 6.545 7.467 241 HZ2 TRP 26 HZ2 TRP 26 15.048 5.428 3.442 242 HZ3 TRP 26 HZ3 TRP 26 11.480 7.009 5.190 243 HH2 TRP 26 HH2 TRP 26 12.823 6.461 3.216 244 H LYS 27 HN LYS 27 13.221 7.870 11.431 245 HA LYS 27 HA LYS 27 14.667 8.301 13.805 246 HB2 LYS 27 HB2 LYS 27 12.784 9.683 13.033 247 HB3 LYS 27 HB1 LYS 27 11.666 8.361 13.340 248 HG2 LYS 27 HG2 LYS 27 12.028 8.531 15.736 249 HG3 LYS 27 HG1 LYS 27 13.330 9.702 15.499 250 HD2 LYS 27 HD2 LYS 27 11.229 10.798 16.214 251 HD3 LYS 27 HD1 LYS 27 11.749 11.348 14.620 252 HE2 LYS 27 HE2 LYS 27 10.093 9.753 13.598 253 HE3 LYS 27 HE1 LYS 27 9.521 9.364 15.223 254 HZ1 LYS 27 HZ1 LYS 27 8.933 11.695 15.511 255 HZ2 LYS 27 HZ2 LYS 27 8.138 11.017 14.186 256 HZ3 LYS 27 HZ3 LYS 27 9.457 12.042 13.943 257 H GLY 28 HN GLY 28 12.039 5.935 13.177 258 HA2 GLY 28 HA2 GLY 28 12.226 4.786 15.846 259 HA3 GLY 28 HA1 GLY 28 11.161 4.278 14.550 260 H TRP 29 HN TRP 29 14.373 4.494 13.496 261 HA TRP 29 HA TRP 29 14.779 1.572 13.720 262 HB2 TRP 29 HB2 TRP 29 15.345 3.342 11.289 263 HB3 TRP 29 HB1 TRP 29 15.637 1.607 11.395 264 HD1 TRP 29 HD1 TRP 29 12.689 4.130 11.206 265 HE1 TRP 29 HE1 TRP 29 10.606 2.896 10.366 266 HE3 TRP 29 HE3 TRP 29 14.537 -0.644 11.130 267 HZ2 TRP 29 HZ2 TRP 29 9.832 0.264 9.755 268 HZ3 TRP 29 HZ3 TRP 29 13.052 -2.459 10.385 269 HH2 TRP 29 HH2 TRP 29 10.746 -2.015 9.708 270 HA PRO 30 HA PRO 30 18.658 2.745 15.579 271 HB2 PRO 30 HB2 PRO 30 20.124 0.421 15.127 272 HB3 PRO 30 HB1 PRO 30 18.923 0.611 16.406 273 HG2 PRO 30 HG2 PRO 30 18.659 -0.695 13.732 274 HG3 PRO 30 HG1 PRO 30 17.984 -1.200 15.290 275 HD2 PRO 30 HD2 PRO 30 16.492 0.039 13.373 276 HD3 PRO 30 HD1 PRO 30 16.169 0.242 15.109 277 HA PRO 31 HA PRO 31 21.349 5.004 13.002 278 HB2 PRO 31 HB2 PRO 31 23.604 3.321 14.130 279 HB3 PRO 31 HB1 PRO 31 23.548 5.072 13.846 280 HG2 PRO 31 HG2 PRO 31 23.076 4.131 16.283 281 HG3 PRO 31 HG1 PRO 31 22.079 5.453 15.638 282 HD2 PRO 31 HD2 PRO 31 21.371 2.572 16.041 283 HD3 PRO 31 HD1 PRO 31 20.324 4.007 16.083 284 H LYS 32 HN LYS 32 22.398 1.550 12.808 285 HA LYS 32 HA LYS 32 23.859 1.990 10.365 286 HB2 LYS 32 HB2 LYS 32 24.367 -0.380 10.391 287 HB3 LYS 32 HB1 LYS 32 24.534 0.264 12.018 288 HG2 LYS 32 HG2 LYS 32 22.360 -0.726 12.647 289 HG3 LYS 32 HG1 LYS 32 22.162 -1.338 11.001 290 HD2 LYS 32 HD2 LYS 32 24.285 -2.686 11.334 291 HD3 LYS 32 HD1 LYS 32 24.280 -2.174 13.026 292 HE2 LYS 32 HE2 LYS 32 22.035 -3.252 13.295 293 HE3 LYS 32 HE1 LYS 32 22.142 -3.830 11.629 294 HZ1 LYS 32 HZ1 LYS 32 24.174 -5.015 12.270 295 HZ2 LYS 32 HZ2 LYS 32 22.815 -5.536 13.121 296 HZ3 LYS 32 HZ3 LYS 32 23.943 -4.532 13.870 297 H TYR 33 HN TYR 33 20.544 1.300 11.017 298 HA TYR 33 HA TYR 33 19.938 0.180 8.392 299 HB2 TYR 33 HB2 TYR 33 18.204 0.925 10.780 300 HB3 TYR 33 HB1 TYR 33 17.508 0.409 9.244 301 HD1 TYR 33 HD2 TYR 33 19.539 -0.706 12.144 302 HD2 TYR 33 HD1 TYR 33 17.585 -1.932 8.549 303 HE1 TYR 33 HE2 TYR 33 19.766 -3.060 12.813 304 HE2 TYR 33 HE1 TYR 33 17.823 -4.282 9.215 305 HH TYR 33 HH TYR 33 18.696 -5.214 12.374 306 H SER 34 HN SER 34 20.770 3.229 9.245 307 HA SER 34 HA SER 34 18.978 4.787 7.661 308 HB2 SER 34 HB2 SER 34 20.840 6.468 7.617 309 HB3 SER 34 HB1 SER 34 20.498 5.892 9.249 310 HG SER 34 HG SER 34 22.508 5.330 9.338 311 H THR 35 HN THR 35 18.822 4.839 5.446 312 HA THR 35 HA THR 35 20.756 3.236 3.865 313 HB THR 35 HB THR 35 18.746 2.915 2.283 314 HG1 THR 35 HG1 THR 35 16.830 3.621 2.880 315 HG21 THR 35 HG21 THR 35 18.485 1.740 5.073 316 HG22 THR 35 HG22 THR 35 19.502 1.098 3.781 317 HG23 THR 35 HG23 THR 35 17.746 1.095 3.604 318 H TRP 36 HN TRP 36 21.550 4.041 1.953 319 HA TRP 36 HA TRP 36 21.430 6.884 1.431 320 HB2 TRP 36 HB2 TRP 36 22.818 4.617 -0.084 321 HB3 TRP 36 HB1 TRP 36 22.939 6.312 -0.535 322 HD1 TRP 36 HD1 TRP 36 24.242 3.797 2.030 323 HE1 TRP 36 HE1 TRP 36 26.228 4.848 3.272 324 HE3 TRP 36 HE3 TRP 36 23.845 8.586 0.273 325 HZ2 TRP 36 HZ2 TRP 36 27.466 7.378 3.492 326 HZ3 TRP 36 HZ3 TRP 36 25.467 10.268 1.055 327 HH2 TRP 36 HH2 TRP 36 27.239 9.674 2.633 328 H GLU 37 HN GLU 37 19.193 7.039 1.027 329 HA GLU 37 HA GLU 37 18.067 5.836 -1.393 330 HB2 GLU 37 HB2 GLU 37 16.811 7.608 0.740 331 HB3 GLU 37 HB1 GLU 37 15.944 6.799 -0.561 332 HG2 GLU 37 HG2 GLU 37 17.390 5.467 1.748 333 HG3 GLU 37 HG1 GLU 37 15.644 5.641 1.565 334 HA PRO 38 HA PRO 38 19.364 9.522 -3.583 335 HB2 PRO 38 HB2 PRO 38 18.203 9.123 -5.997 336 HB3 PRO 38 HB1 PRO 38 19.529 8.099 -5.426 337 HG2 PRO 38 HG2 PRO 38 16.557 7.559 -5.324 338 HG3 PRO 38 HG1 PRO 38 17.855 6.477 -5.872 339 HD2 PRO 38 HD2 PRO 38 16.792 6.291 -3.371 340 HD3 PRO 38 HD1 PRO 38 18.504 5.937 -3.693 341 H GLU 39 HN GLU 39 18.408 11.239 -5.031 342 HA GLU 39 HA GLU 39 16.845 12.966 -3.617 343 HB2 GLU 39 HB2 GLU 39 16.675 14.252 -5.776 344 HB3 GLU 39 HB1 GLU 39 18.299 13.687 -5.400 345 HG2 GLU 39 HG2 GLU 39 17.915 11.746 -6.968 346 HG3 GLU 39 HG1 GLU 39 16.385 12.488 -7.434 347 H GLU 40 HN GLU 40 15.712 10.575 -5.902 348 HA GLU 40 HA GLU 40 13.178 11.516 -6.585 349 HB2 GLU 40 HB2 GLU 40 14.415 9.690 -7.734 350 HB3 GLU 40 HB1 GLU 40 14.159 8.640 -6.348 351 HG2 GLU 40 HG2 GLU 40 12.631 8.055 -8.142 352 HG3 GLU 40 HG1 GLU 40 11.730 8.685 -6.760 353 H HIS 41 HN HIS 41 14.212 9.932 -3.621 354 HA HIS 41 HA HIS 41 11.566 8.923 -2.940 355 HB2 HIS 41 HB2 HIS 41 12.616 7.564 -1.407 356 HB3 HIS 41 HB1 HIS 41 13.984 7.865 -2.460 357 HD1 HIS 41 HD1 HIS 41 15.351 10.239 -1.517 358 HD2 HIS 41 HD2 HIS 41 13.321 7.821 1.165 359 HE1 HIS 41 HE1 HIS 41 16.326 10.765 0.728 360 HE2 HIS 41 HE2 HIS 41 14.934 9.430 2.337 361 H ILE 42 HN ILE 42 13.235 11.877 -2.384 362 HA ILE 42 HA ILE 42 12.355 12.523 0.266 363 HB ILE 42 HB ILE 42 13.195 14.425 -1.985 364 HG12 ILE 42 HG12 ILE 42 14.972 12.740 -1.273 365 HG13 ILE 42 HG11 ILE 42 15.434 14.424 -1.073 366 HG21 ILE 42 HG21 ILE 42 12.918 14.960 1.007 367 HG22 ILE 42 HG22 ILE 42 11.920 15.639 -0.282 368 HG23 ILE 42 HG23 ILE 42 13.621 16.083 -0.161 369 HD11 ILE 42 HD11 ILE 42 16.174 13.049 0.789 370 HD12 ILE 42 HD12 ILE 42 14.508 12.582 1.131 371 HD13 ILE 42 HD13 ILE 42 15.012 14.263 1.328 372 H LEU 43 HN LEU 43 10.289 13.068 0.895 373 HA LEU 43 HA LEU 43 8.317 13.866 -1.160 374 HB2 LEU 43 HB2 LEU 43 7.826 13.105 1.748 375 HB3 LEU 43 HB1 LEU 43 6.606 13.339 0.497 376 HG LEU 43 HG LEU 43 8.600 11.061 0.750 377 HD11 LEU 43 HD11 LEU 43 5.572 11.080 0.678 378 HD12 LEU 43 HD12 LEU 43 6.595 10.821 2.093 379 HD13 LEU 43 HD13 LEU 43 6.601 9.649 0.782 380 HD21 LEU 43 HD21 LEU 43 8.590 11.673 -1.588 381 HD22 LEU 43 HD22 LEU 43 6.826 11.656 -1.632 382 HD23 LEU 43 HD23 LEU 43 7.721 10.161 -1.366 383 H ASP 44 HN ASP 44 9.640 14.895 1.964 384 HA ASP 44 HA ASP 44 8.324 17.533 1.685 385 HB2 ASP 44 HB2 ASP 44 7.646 16.216 3.688 386 HB3 ASP 44 HB1 ASP 44 9.327 16.125 4.201 387 HA PRO 45 HA PRO 45 12.471 19.029 0.817 388 HB2 PRO 45 HB2 PRO 45 12.041 21.728 1.032 389 HB3 PRO 45 HB1 PRO 45 11.467 20.766 -0.338 390 HG2 PRO 45 HG2 PRO 45 9.954 21.640 2.125 391 HG3 PRO 45 HG1 PRO 45 9.446 21.715 0.424 392 HD2 PRO 45 HD2 PRO 45 8.606 19.741 2.063 393 HD3 PRO 45 HD1 PRO 45 8.939 19.432 0.342 394 H ARG 46 HN ARG 46 10.854 19.855 3.845 395 HA ARG 46 HA ARG 46 13.071 21.226 5.056 396 HB2 ARG 46 HB2 ARG 46 10.639 19.965 6.377 397 HB3 ARG 46 HB1 ARG 46 11.779 21.049 7.171 398 HG2 ARG 46 HG2 ARG 46 10.034 21.800 4.802 399 HG3 ARG 46 HG1 ARG 46 9.676 22.175 6.490 400 HD2 ARG 46 HD2 ARG 46 11.750 23.520 6.630 401 HD3 ARG 46 HD1 ARG 46 12.104 23.147 4.936 402 HE ARG 46 HE ARG 46 9.525 24.313 5.169 403 HH11 ARG 46 HH11 ARG 46 12.916 25.241 5.333 404 HH12 ARG 46 HH12 ARG 46 12.626 26.856 4.791 405 HH21 ARG 46 HH21 ARG 46 9.164 26.421 4.467 406 HH22 ARG 46 HH22 ARG 46 10.480 27.541 4.323 407 H LEU 47 HN LEU 47 12.339 17.898 4.593 408 HA LEU 47 HA LEU 47 13.877 16.650 6.580 409 HB2 LEU 47 HB2 LEU 47 12.411 15.397 5.107 410 HB3 LEU 47 HB1 LEU 47 13.306 15.902 3.688 411 HG LEU 47 HG LEU 47 15.170 14.454 4.251 412 HD11 LEU 47 HD11 LEU 47 15.284 14.644 6.645 413 HD12 LEU 47 HD12 LEU 47 15.131 12.940 6.221 414 HD13 LEU 47 HD13 LEU 47 13.734 13.824 6.837 415 HD21 LEU 47 HD21 LEU 47 12.553 12.939 4.559 416 HD22 LEU 47 HD22 LEU 47 14.104 12.239 4.085 417 HD23 LEU 47 HD23 LEU 47 13.310 13.410 3.034 418 H VAL 48 HN VAL 48 14.847 18.019 3.435 419 HA VAL 48 HA VAL 48 17.686 17.444 3.869 420 HB VAL 48 HB VAL 48 16.425 18.950 1.537 421 HG11 VAL 48 HG11 VAL 48 18.474 18.306 0.307 422 HG12 VAL 48 HG12 VAL 48 19.103 17.517 1.754 423 HG13 VAL 48 HG13 VAL 48 18.864 19.267 1.738 424 HG21 VAL 48 HG21 VAL 48 16.961 15.960 1.735 425 HG22 VAL 48 HG22 VAL 48 16.423 16.813 0.286 426 HG23 VAL 48 HG23 VAL 48 15.370 16.730 1.699 427 H MET 49 HN MET 49 15.461 20.163 3.861 428 HA MET 49 HA MET 49 17.362 22.282 3.811 429 HB2 MET 49 HB2 MET 49 14.398 22.133 4.429 430 HB3 MET 49 HB1 MET 49 15.277 23.640 4.671 431 HG2 MET 49 HG2 MET 49 15.179 22.153 2.036 432 HG3 MET 49 HG1 MET 49 14.073 23.452 2.481 433 HE1 MET 49 HE1 MET 49 16.528 26.530 2.757 434 HE2 MET 49 HE2 MET 49 16.045 25.472 4.081 435 HE3 MET 49 HE3 MET 49 14.851 25.997 2.891 436 H ALA 50 HN ALA 50 15.809 20.527 6.476 437 HA ALA 50 HA ALA 50 16.813 22.215 8.585 438 HB1 ALA 50 HB1 ALA 50 14.863 20.749 8.942 439 HB2 ALA 50 HB2 ALA 50 16.138 20.386 10.105 440 HB3 ALA 50 HB3 ALA 50 15.873 19.321 8.718 441 H TYR 51 HN TYR 51 18.052 19.532 6.744 442 HA TYR 51 HA TYR 51 20.296 18.865 8.410 443 HB2 TYR 51 HB2 TYR 51 19.493 17.113 7.029 444 HB3 TYR 51 HB1 TYR 51 19.396 18.138 5.606 445 HD1 TYR 51 HD2 TYR 51 21.919 16.569 7.935 446 HD2 TYR 51 HD1 TYR 51 21.130 18.069 4.009 447 HE1 TYR 51 HE2 TYR 51 24.099 15.725 7.162 448 HE2 TYR 51 HE1 TYR 51 23.302 17.235 3.249 449 HH TYR 51 HH TYR 51 25.469 16.639 4.184 450 H GLU 52 HN GLU 52 19.869 20.838 5.448 451 HA GLU 52 HA GLU 52 22.720 21.415 5.245 452 HB2 GLU 52 HB2 GLU 52 20.368 22.343 3.548 453 HB3 GLU 52 HB1 GLU 52 22.058 22.732 3.220 454 HG2 GLU 52 HG2 GLU 52 22.477 20.212 3.128 455 HG3 GLU 52 HG1 GLU 52 20.722 20.018 3.122 456 H GLU 53 HN GLU 53 19.742 23.345 5.625 457 HA GLU 53 HA GLU 53 21.304 25.687 6.458 458 HB2 GLU 53 HB2 GLU 53 18.300 25.467 5.985 459 HB3 GLU 53 HB1 GLU 53 19.243 26.945 6.150 460 HG2 GLU 53 HG2 GLU 53 19.383 24.957 3.862 461 HG3 GLU 53 HG1 GLU 53 18.646 26.556 3.814 462 H LYS 54 HN LYS 54 21.987 24.729 8.430 463 HA LYS 54 HA LYS 54 20.214 23.829 10.467 464 HB2 LYS 54 HB2 LYS 54 23.067 24.857 10.817 465 HB3 LYS 54 HB1 LYS 54 22.158 23.893 11.975 466 HG2 LYS 54 HG2 LYS 54 23.167 22.989 9.260 467 HG3 LYS 54 HG1 LYS 54 23.802 22.507 10.833 468 HD2 LYS 54 HD2 LYS 54 21.055 21.833 9.706 469 HD3 LYS 54 HD1 LYS 54 22.409 20.721 9.873 470 HE2 LYS 54 HE2 LYS 54 22.271 20.915 12.330 471 HE3 LYS 54 HE1 LYS 54 20.934 22.057 12.174 472 HZ1 LYS 54 HZ1 LYS 54 20.923 19.232 11.272 473 HZ2 LYS 54 HZ2 LYS 54 19.640 20.320 11.111 474 HZ3 LYS 54 HZ3 LYS 54 20.151 19.840 12.648 475 H GLU 55 HN GLU 55 19.438 24.873 12.271 476 HA GLU 55 HA GLU 55 19.074 27.726 12.213 477 HB2 GLU 55 HB2 GLU 55 18.409 25.714 14.416 478 HB3 GLU 55 HB1 GLU 55 17.776 27.358 14.289 479 HG2 GLU 55 HG2 GLU 55 16.641 26.768 12.182 480 HG3 GLU 55 HG1 GLU 55 17.290 25.133 12.278 481 H GLU 56 HN GLU 56 21.479 25.651 13.386 482 HA GLU 56 HA GLU 56 22.770 27.138 15.389 483 HB2 GLU 56 HB2 GLU 56 23.996 25.354 13.227 484 HB3 GLU 56 HB1 GLU 56 24.788 25.852 14.722 485 HG2 GLU 56 HG2 GLU 56 23.230 24.556 16.054 486 HG3 GLU 56 HG1 GLU 56 22.256 24.183 14.633 487 H1 ALA 1 HT1 ALA 1 -0.187 17.994 11.841 488 H2 ALA 1 HT2 ALA 1 -1.404 16.851 11.607 489 H3 ALA 1 HT3 ALA 1 -1.797 18.405 12.134 490 HA ALA 1 HA ALA 1 -2.333 18.109 9.818 491 HB1 ALA 1 HB1 ALA 1 -1.691 20.348 10.662 492 HB2 ALA 1 HB2 ALA 1 -1.209 20.123 8.979 493 HB3 ALA 1 HB3 ALA 1 -0.003 20.007 10.264 494 H ARG 2 HN ARG 2 -1.124 18.392 7.585 495 HA ARG 2 HA ARG 2 0.321 15.928 7.181 496 HB2 ARG 2 HB2 ARG 2 0.188 16.481 4.767 497 HB3 ARG 2 HB1 ARG 2 -1.378 16.542 5.564 498 HG2 ARG 2 HG2 ARG 2 -1.351 18.977 5.564 499 HG3 ARG 2 HG1 ARG 2 0.301 18.998 4.940 500 HD2 ARG 2 HD2 ARG 2 -1.380 19.474 3.176 501 HD3 ARG 2 HD1 ARG 2 -0.441 18.020 2.827 502 HE ARG 2 HE ARG 2 -2.922 17.474 4.200 503 HH11 ARG 2 HH11 ARG 2 -1.541 18.020 1.020 504 HH12 ARG 2 HH12 ARG 2 -2.795 17.155 0.198 505 HH21 ARG 2 HH21 ARG 2 -4.566 16.342 3.103 506 HH22 ARG 2 HH22 ARG 2 -4.511 16.219 1.371 507 H THR 3 HN THR 3 1.388 19.032 7.978 508 HA THR 3 HA THR 3 3.892 19.133 6.623 509 HB THR 3 HB THR 3 3.066 21.171 7.612 510 HG1 THR 3 HG1 THR 3 5.305 21.028 7.578 511 HG21 THR 3 HG21 THR 3 1.762 20.286 9.509 512 HG22 THR 3 HG22 THR 3 2.857 21.566 10.037 513 HG23 THR 3 HG23 THR 3 3.257 19.878 10.358 514 H LYS 4 HN LYS 4 4.833 17.173 6.656 515 HA LYS 4 HA LYS 4 6.063 16.178 9.116 516 HB2 LYS 4 HB2 LYS 4 3.870 15.040 9.097 517 HB3 LYS 4 HB1 LYS 4 4.116 14.522 7.436 518 HG2 LYS 4 HG2 LYS 4 4.485 12.651 8.948 519 HG3 LYS 4 HG1 LYS 4 5.998 13.094 8.158 520 HD2 LYS 4 HD2 LYS 4 6.432 12.606 10.506 521 HD3 LYS 4 HD1 LYS 4 6.688 14.327 10.217 522 HE2 LYS 4 HE2 LYS 4 4.459 14.812 11.189 523 HE3 LYS 4 HE1 LYS 4 4.211 13.088 11.473 524 HZ1 LYS 4 HZ1 LYS 4 4.943 14.177 13.466 525 HZ2 LYS 4 HZ2 LYS 4 6.324 14.773 12.695 526 HZ3 LYS 4 HZ3 LYS 4 6.142 13.113 12.938 527 H GLN 5 HN GLN 5 8.087 15.655 8.642 528 HA GLN 5 HA GLN 5 9.093 15.445 5.968 529 HB2 GLN 5 HB2 GLN 5 10.424 14.938 8.664 530 HB3 GLN 5 HB1 GLN 5 11.274 14.840 7.125 531 HG2 GLN 5 HG2 GLN 5 11.746 16.984 8.086 532 HG3 GLN 5 HG1 GLN 5 10.693 17.239 6.699 533 HE21 GLN 5 HE21 GLN 5 9.667 19.100 7.264 534 HE22 GLN 5 HE22 GLN 5 8.741 19.330 8.703 535 H THR 6 HN THR 6 8.411 13.776 4.825 536 HA THR 6 HA THR 6 8.743 11.028 5.846 537 HB THR 6 HB THR 6 6.843 10.489 4.120 538 HG1 THR 6 HG1 THR 6 6.259 13.237 4.636 539 HG21 THR 6 HG21 THR 6 5.072 10.850 5.795 540 HG22 THR 6 HG22 THR 6 6.133 11.929 6.700 541 HG23 THR 6 HG23 THR 6 6.534 10.215 6.557 542 H ALA 7 HN ALA 7 8.970 9.428 4.095 543 HA ALA 7 HA ALA 7 10.372 10.281 1.714 544 HB1 ALA 7 HB1 ALA 7 11.892 8.963 3.995 545 HB2 ALA 7 HB2 ALA 7 12.075 10.634 3.462 546 HB3 ALA 7 HB3 ALA 7 12.532 9.315 2.393 547 H ARG 8 HN ARG 8 9.896 8.778 0.193 548 HA ARG 8 HA ARG 8 8.825 6.175 0.671 549 HB2 ARG 8 HB2 ARG 8 10.060 7.403 -1.834 550 HB3 ARG 8 HB1 ARG 8 9.225 5.854 -1.815 551 HG2 ARG 8 HG2 ARG 8 7.848 8.404 -0.944 552 HG3 ARG 8 HG1 ARG 8 7.934 7.935 -2.642 553 HD2 ARG 8 HD2 ARG 8 6.679 5.924 -2.223 554 HD3 ARG 8 HD1 ARG 8 6.785 6.157 -0.477 555 HE ARG 8 HE ARG 8 5.262 7.992 -0.641 556 HH11 ARG 8 HH11 ARG 8 5.561 6.263 -3.696 557 HH12 ARG 8 HH12 ARG 8 4.000 6.759 -4.258 558 HH21 ARG 8 HH21 ARG 8 3.244 8.649 -1.405 559 HH22 ARG 8 HH22 ARG 8 2.695 8.131 -2.968 560 H M3L 9 HN M3L 9 9.874 4.092 0.205 561 HA M3L 9 HA M3L 9 12.837 4.158 0.286 562 HB2 M3L 9 HB2 M3L 9 10.912 1.949 1.123 563 HB3 M3L 9 HB1 M3L 9 12.656 1.723 0.975 564 HG2 M3L 9 HG2 M3L 9 12.913 3.655 2.650 565 HG3 M3L 9 HG1 M3L 9 11.173 3.504 2.937 566 HD2 M3L 9 HD2 M3L 9 11.460 1.197 3.707 567 HD3 M3L 9 HD1 M3L 9 13.177 1.235 3.291 568 HE2 M3L 9 HE2 M3L 9 13.407 3.164 4.967 569 HE3 M3L 9 HE1 M3L 9 11.768 2.795 5.489 570 HM11 M3L 9 HH33 M3L 9 13.897 1.237 8.098 571 HM12 M3L 9 HH31 M3L 9 12.572 2.370 7.808 572 HM13 M3L 9 HH32 M3L 9 14.211 2.775 7.286 573 HM21 M3L 9 HH11 M3L 9 12.047 -0.337 5.281 574 HM22 M3L 9 HH12 M3L 9 11.293 0.536 6.618 575 HM23 M3L 9 HH13 M3L 9 12.632 -0.573 6.932 576 HM31 M3L 9 HH21 M3L 9 14.973 0.036 6.169 577 HM32 M3L 9 HH22 M3L 9 15.257 1.571 5.345 578 HM33 M3L 9 HH23 M3L 9 14.378 0.279 4.526 579 H SER 10 HN SER 10 13.795 3.837 -1.552 580 HA SER 10 HA SER 10 12.632 2.798 -3.936 581 HB2 SER 10 HB2 SER 10 14.512 4.457 -3.928 582 HB3 SER 10 HB1 SER 10 15.578 3.239 -3.234 583 HG SER 10 HG SER 10 14.338 3.175 -5.797 584 H THR 11 HN THR 11 11.815 0.783 -3.456 585 HA THR 11 HA THR 11 13.294 -1.259 -2.064 586 HB THR 11 HB THR 11 10.649 -1.546 -3.547 587 HG1 THR 11 HG1 THR 11 11.089 0.109 -1.600 588 HG21 THR 11 HG21 THR 11 10.187 -3.335 -1.909 589 HG22 THR 11 HG22 THR 11 11.769 -3.077 -1.170 590 HG23 THR 11 HG23 THR 11 11.656 -3.689 -2.822 591 H GLY 12 HN GLY 12 15.123 -1.387 -3.496 592 HA2 GLY 12 HA2 GLY 12 16.385 -2.656 -4.936 593 HA3 GLY 12 HA1 GLY 12 14.934 -3.494 -5.455 594 H GLY 13 HN GLY 13 13.477 -2.263 -6.928 595 HA2 GLY 13 HA2 GLY 13 14.800 -1.500 -9.282 596 HA3 GLY 13 HA1 GLY 13 13.085 -1.326 -8.965 597 H LYS 14 HN LYS 14 16.058 0.267 -9.292 598 HA LYS 14 HA LYS 14 14.863 2.918 -8.707 599 HB2 LYS 14 HB2 LYS 14 17.224 3.669 -8.150 600 HB3 LYS 14 HB1 LYS 14 16.537 2.523 -7.014 601 HG2 LYS 14 HG2 LYS 14 18.716 1.732 -7.231 602 HG3 LYS 14 HG1 LYS 14 17.844 0.715 -8.381 603 HD2 LYS 14 HD2 LYS 14 18.570 2.396 -10.186 604 HD3 LYS 14 HD1 LYS 14 19.644 3.097 -8.972 605 HE2 LYS 14 HE2 LYS 14 20.810 0.937 -8.764 606 HE3 LYS 14 HE1 LYS 14 19.705 0.220 -9.941 607 HZ1 LYS 14 HZ1 LYS 14 21.652 2.403 -10.430 608 HZ2 LYS 14 HZ2 LYS 14 20.496 1.898 -11.553 609 HZ3 LYS 14 HZ3 LYS 14 21.704 0.831 -11.046 610 H ALA 15 HN ALA 15 16.589 4.596 -9.904 611 HA ALA 15 HA ALA 15 16.289 3.972 -12.755 612 HB1 ALA 15 HB1 ALA 15 15.366 6.104 -11.932 613 HB2 ALA 15 HB2 ALA 15 16.659 6.397 -13.095 614 HB3 ALA 15 HB3 ALA 15 16.970 6.596 -11.370 Start of MODEL 10 1 H1 GLY 1 HT1 GLY 1 11.789 0.315 -2.039 2 H2 GLY 1 HT2 GLY 1 10.344 0.570 -1.200 3 H3 GLY 1 HT3 GLY 1 11.482 1.812 -1.320 4 HA2 GLY 1 HA1 GLY 1 11.165 1.929 -3.699 5 HA3 GLY 1 HA2 GLY 1 9.969 0.646 -3.582 6 H GLU 2 HN GLU 2 7.936 1.103 -2.689 7 HA GLU 2 HA GLU 2 7.050 3.886 -2.830 8 HB2 GLU 2 HB2 GLU 2 5.834 1.915 -3.909 9 HB3 GLU 2 HB1 GLU 2 5.430 1.352 -2.296 10 HG2 GLU 2 HG2 GLU 2 3.518 2.482 -3.191 11 HG3 GLU 2 HG1 GLU 2 4.184 3.483 -1.897 12 H GLN 3 HN GLN 3 8.166 1.806 -0.428 13 HA GLN 3 HA GLN 3 6.238 2.165 1.639 14 HB2 GLN 3 HB2 GLN 3 9.055 1.000 1.724 15 HB3 GLN 3 HB1 GLN 3 7.923 0.952 3.071 16 HG2 GLN 3 HG2 GLN 3 7.830 -1.184 2.020 17 HG3 GLN 3 HG1 GLN 3 6.341 -0.353 1.589 18 HE21 GLN 3 HE21 GLN 3 5.957 -1.544 -0.285 19 HE22 GLN 3 HE22 GLN 3 6.967 -1.469 -1.683 20 H VAL 4 HN VAL 4 5.945 4.156 2.419 21 HA VAL 4 HA VAL 4 8.050 6.021 3.009 22 HB VAL 4 HB VAL 4 6.305 7.412 4.080 23 HG11 VAL 4 HG11 VAL 4 4.853 7.763 2.102 24 HG12 VAL 4 HG12 VAL 4 5.410 6.228 1.427 25 HG13 VAL 4 HG13 VAL 4 6.550 7.558 1.659 26 HG21 VAL 4 HG21 VAL 4 4.938 5.678 5.177 27 HG22 VAL 4 HG22 VAL 4 4.392 5.080 3.608 28 HG23 VAL 4 HG23 VAL 4 3.921 6.695 4.151 29 H PHE 5 HN PHE 5 9.081 6.381 4.923 30 HA PHE 5 HA PHE 5 8.063 5.142 7.403 31 HB2 PHE 5 HB2 PHE 5 10.920 5.005 6.333 32 HB3 PHE 5 HB1 PHE 5 10.589 4.875 8.055 33 HD1 PHE 5 HD2 PHE 5 9.926 3.252 4.758 34 HD2 PHE 5 HD1 PHE 5 9.843 2.809 9.011 35 HE1 PHE 5 HE2 PHE 5 9.491 0.846 4.502 36 HE2 PHE 5 HE1 PHE 5 9.411 0.404 8.743 37 HZ PHE 5 HZ PHE 5 9.230 -0.579 6.493 38 H ALA 6 HN ALA 6 8.200 6.397 9.167 39 HA ALA 6 HA ALA 6 8.478 9.209 8.966 40 HB1 ALA 6 HB1 ALA 6 8.165 9.183 11.414 41 HB2 ALA 6 HB2 ALA 6 8.383 7.431 11.428 42 HB3 ALA 6 HB3 ALA 6 6.991 8.144 10.606 43 H VAL 7 HN VAL 7 10.359 10.253 8.764 44 HA VAL 7 HA VAL 7 12.889 8.924 9.415 45 HB VAL 7 HB VAL 7 13.960 10.633 8.060 46 HG11 VAL 7 HG11 VAL 7 12.907 8.797 6.812 47 HG12 VAL 7 HG12 VAL 7 12.853 10.286 5.874 48 HG13 VAL 7 HG13 VAL 7 11.398 9.706 6.692 49 HG21 VAL 7 HG21 VAL 7 12.670 12.491 7.019 50 HG22 VAL 7 HG22 VAL 7 12.714 12.603 8.774 51 HG23 VAL 7 HG23 VAL 7 11.259 12.024 7.968 52 H GLU 8 HN GLU 8 14.523 9.881 10.671 53 HA GLU 8 HA GLU 8 13.757 11.817 12.709 54 HB2 GLU 8 HB2 GLU 8 15.208 9.902 13.309 55 HB3 GLU 8 HB1 GLU 8 16.419 10.424 12.137 56 HG2 GLU 8 HG2 GLU 8 16.814 12.475 13.438 57 HG3 GLU 8 HG1 GLU 8 15.554 12.002 14.581 58 H SER 9 HN SER 9 16.531 11.610 10.454 59 HA SER 9 HA SER 9 16.173 14.231 9.308 60 HB2 SER 9 HB2 SER 9 18.537 13.758 11.201 61 HB3 SER 9 HB1 SER 9 18.409 15.133 10.101 62 HG SER 9 HG SER 9 16.186 15.173 11.441 63 H ILE 10 HN ILE 10 18.317 14.702 7.928 64 HA ILE 10 HA ILE 10 19.082 12.317 6.446 65 HB ILE 10 HB ILE 10 20.152 15.165 6.135 66 HG12 ILE 10 HG12 ILE 10 17.698 15.116 5.796 67 HG13 ILE 10 HG11 ILE 10 18.556 15.508 4.317 68 HG21 ILE 10 HG21 ILE 10 21.622 13.488 5.118 69 HG22 ILE 10 HG22 ILE 10 20.838 14.452 3.869 70 HG23 ILE 10 HG23 ILE 10 20.268 12.814 4.203 71 HD11 ILE 10 HD11 ILE 10 17.317 12.839 4.998 72 HD12 ILE 10 HD12 ILE 10 18.192 13.216 3.510 73 HD13 ILE 10 HD13 ILE 10 16.683 14.048 3.882 74 H ARG 11 HN ARG 11 20.725 11.085 7.067 75 HA ARG 11 HA ARG 11 22.546 11.691 9.190 76 HB2 ARG 11 HB2 ARG 11 21.533 9.369 8.392 77 HB3 ARG 11 HB1 ARG 11 22.880 9.341 7.273 78 HG2 ARG 11 HG2 ARG 11 23.122 9.450 10.306 79 HG3 ARG 11 HG1 ARG 11 23.232 7.981 9.337 80 HD2 ARG 11 HD2 ARG 11 25.251 8.960 8.204 81 HD3 ARG 11 HD1 ARG 11 25.145 10.342 9.300 82 HE ARG 11 HE ARG 11 25.664 7.545 10.143 83 HH11 ARG 11 HH11 ARG 11 26.049 10.990 10.698 84 HH12 ARG 11 HH12 ARG 11 27.141 10.765 12.022 85 HH21 ARG 11 HH21 ARG 11 27.080 7.289 11.913 86 HH22 ARG 11 HH22 ARG 11 27.720 8.695 12.707 87 H LYS 12 HN LYS 12 23.100 10.922 5.704 88 HA LYS 12 HA LYS 12 25.234 12.953 5.532 89 HB2 LYS 12 HB2 LYS 12 25.520 10.025 4.731 90 HB3 LYS 12 HB1 LYS 12 26.565 11.282 4.070 91 HG2 LYS 12 HG2 LYS 12 27.379 11.813 6.330 92 HG3 LYS 12 HG1 LYS 12 26.305 10.588 7.015 93 HD2 LYS 12 HD2 LYS 12 27.523 8.810 5.867 94 HD3 LYS 12 HD1 LYS 12 28.524 9.994 5.017 95 HE2 LYS 12 HE2 LYS 12 29.708 8.953 6.936 96 HE3 LYS 12 HE1 LYS 12 29.540 10.698 7.125 97 HZ1 LYS 12 HZ1 LYS 12 27.752 8.698 8.389 98 HZ2 LYS 12 HZ2 LYS 12 27.747 10.369 8.653 99 HZ3 LYS 12 HZ3 LYS 12 29.061 9.434 9.159 100 H LYS 13 HN LYS 13 25.939 13.127 3.100 101 HA LYS 13 HA LYS 13 23.723 13.005 1.222 102 HB2 LYS 13 HB2 LYS 13 23.064 14.948 2.570 103 HB3 LYS 13 HB1 LYS 13 24.672 15.645 2.433 104 HG2 LYS 13 HG2 LYS 13 24.334 16.002 0.022 105 HG3 LYS 13 HG1 LYS 13 22.735 15.262 0.128 106 HD2 LYS 13 HD2 LYS 13 22.043 17.083 1.716 107 HD3 LYS 13 HD1 LYS 13 23.633 17.824 1.509 108 HE2 LYS 13 HE2 LYS 13 21.575 17.417 -0.692 109 HE3 LYS 13 HE1 LYS 13 21.925 18.940 0.128 110 HZ1 LYS 13 HZ1 LYS 13 23.809 17.394 -1.576 111 HZ2 LYS 13 HZ2 LYS 13 24.196 18.805 -0.733 112 HZ3 LYS 13 HZ3 LYS 13 23.055 18.856 -1.974 113 H ARG 14 HN ARG 14 24.562 12.832 -0.774 114 HA ARG 14 HA ARG 14 27.007 14.035 -1.697 115 HB2 ARG 14 HB2 ARG 14 28.268 11.953 -2.106 116 HB3 ARG 14 HB1 ARG 14 27.951 12.136 -0.381 117 HG2 ARG 14 HG2 ARG 14 26.148 10.492 -0.490 118 HG3 ARG 14 HG1 ARG 14 26.327 10.361 -2.244 119 HD2 ARG 14 HD2 ARG 14 28.464 9.632 -0.209 120 HD3 ARG 14 HD1 ARG 14 27.387 8.479 -1.011 121 HE ARG 14 HE ARG 14 29.215 10.215 -2.566 122 HH11 ARG 14 HH11 ARG 14 28.097 6.993 -1.771 123 HH12 ARG 14 HH12 ARG 14 29.045 6.244 -3.008 124 HH21 ARG 14 HH21 ARG 14 30.427 9.216 -4.188 125 HH22 ARG 14 HH22 ARG 14 30.364 7.494 -4.373 126 H VAL 15 HN VAL 15 27.582 12.760 -3.924 127 HA VAL 15 HA VAL 15 25.118 11.817 -5.266 128 HB VAL 15 HB VAL 15 25.562 14.108 -6.061 129 HG11 VAL 15 HG11 VAL 15 27.618 14.717 -7.300 130 HG12 VAL 15 HG12 VAL 15 28.306 13.133 -6.936 131 HG13 VAL 15 HG13 VAL 15 27.974 14.270 -5.628 132 HG21 VAL 15 HG21 VAL 15 25.624 13.678 -8.504 133 HG22 VAL 15 HG22 VAL 15 24.585 12.525 -7.664 134 HG23 VAL 15 HG23 VAL 15 26.194 12.035 -8.197 135 H ARG 16 HN ARG 16 25.404 10.097 -6.669 136 HA ARG 16 HA ARG 16 28.043 8.941 -7.179 137 HB2 ARG 16 HB2 ARG 16 27.186 7.966 -4.964 138 HB3 ARG 16 HB1 ARG 16 25.824 7.301 -5.857 139 HG2 ARG 16 HG2 ARG 16 27.709 6.169 -7.333 140 HG3 ARG 16 HG1 ARG 16 28.740 6.488 -5.935 141 HD2 ARG 16 HD2 ARG 16 26.305 4.682 -6.129 142 HD3 ARG 16 HD1 ARG 16 27.944 4.268 -5.635 143 HE ARG 16 HE ARG 16 26.232 6.020 -4.010 144 HH11 ARG 16 HH11 ARG 16 28.269 3.188 -4.144 145 HH12 ARG 16 HH12 ARG 16 28.129 2.877 -2.448 146 HH21 ARG 16 HH21 ARG 16 25.995 5.584 -1.830 147 HH22 ARG 16 HH22 ARG 16 26.825 4.228 -1.132 148 H LYS 17 HN LYS 17 27.940 8.736 -9.345 149 HA LYS 17 HA LYS 17 27.417 7.964 -11.403 150 HB2 LYS 17 HB2 LYS 17 25.493 6.122 -9.914 151 HB3 LYS 17 HB1 LYS 17 26.039 5.903 -11.580 152 HG2 LYS 17 HG2 LYS 17 28.357 5.577 -10.802 153 HG3 LYS 17 HG1 LYS 17 27.858 5.903 -9.143 154 HD2 LYS 17 HD2 LYS 17 28.162 3.510 -9.473 155 HD3 LYS 17 HD1 LYS 17 26.459 3.855 -9.157 156 HE2 LYS 17 HE2 LYS 17 25.935 3.608 -11.526 157 HE3 LYS 17 HE1 LYS 17 27.649 3.444 -11.923 158 HZ1 LYS 17 HZ1 LYS 17 27.730 1.397 -10.711 159 HZ2 LYS 17 HZ2 LYS 17 26.493 1.321 -11.858 160 HZ3 LYS 17 HZ3 LYS 17 26.115 1.558 -10.230 161 H GLY 18 HN GLY 18 26.063 10.271 -10.398 162 HA2 GLY 18 HA2 GLY 18 24.674 11.794 -11.521 163 HA3 GLY 18 HA1 GLY 18 23.847 10.466 -12.311 164 H LYS 19 HN LYS 19 23.822 9.312 -9.357 165 HA LYS 19 HA LYS 19 21.143 10.368 -8.735 166 HB2 LYS 19 HB2 LYS 19 22.611 7.889 -7.699 167 HB3 LYS 19 HB1 LYS 19 20.942 8.331 -7.316 168 HG2 LYS 19 HG2 LYS 19 21.959 7.777 -10.115 169 HG3 LYS 19 HG1 LYS 19 21.190 6.560 -9.088 170 HD2 LYS 19 HD2 LYS 19 19.096 7.811 -9.086 171 HD3 LYS 19 HD1 LYS 19 19.850 9.170 -9.929 172 HE2 LYS 19 HE2 LYS 19 18.440 7.723 -11.410 173 HE3 LYS 19 HE1 LYS 19 20.117 7.848 -11.942 174 HZ1 LYS 19 HZ1 LYS 19 19.179 5.575 -12.030 175 HZ2 LYS 19 HZ2 LYS 19 19.065 5.581 -10.345 176 HZ3 LYS 19 HZ3 LYS 19 20.578 5.696 -11.088 177 H VAL 20 HN VAL 20 21.189 12.044 -7.368 178 HA VAL 20 HA VAL 20 23.273 12.473 -5.425 179 HB VAL 20 HB VAL 20 20.584 13.904 -5.699 180 HG11 VAL 20 HG11 VAL 20 23.088 14.753 -4.179 181 HG12 VAL 20 HG12 VAL 20 21.554 14.252 -3.463 182 HG13 VAL 20 HG13 VAL 20 21.642 15.743 -4.402 183 HG21 VAL 20 HG21 VAL 20 23.298 14.695 -6.849 184 HG22 VAL 20 HG22 VAL 20 21.828 15.671 -6.923 185 HG23 VAL 20 HG23 VAL 20 21.901 14.126 -7.773 186 H GLU 21 HN GLU 21 23.380 11.275 -3.617 187 HA GLU 21 HA GLU 21 20.994 9.817 -2.693 188 HB2 GLU 21 HB2 GLU 21 23.923 9.423 -1.947 189 HB3 GLU 21 HB1 GLU 21 22.575 8.384 -1.479 190 HG2 GLU 21 HG2 GLU 21 22.264 7.744 -3.836 191 HG3 GLU 21 HG1 GLU 21 23.627 8.775 -4.301 192 H TYR 22 HN TYR 22 20.115 10.206 -0.772 193 HA TYR 22 HA TYR 22 21.614 11.682 1.302 194 HB2 TYR 22 HB2 TYR 22 18.583 11.351 1.031 195 HB3 TYR 22 HB1 TYR 22 19.417 12.261 2.288 196 HD1 TYR 22 HD1 TYR 22 21.463 13.419 0.037 197 HD2 TYR 22 HD2 TYR 22 17.230 13.367 0.538 198 HE1 TYR 22 HE1 TYR 22 21.278 15.426 -1.347 199 HE2 TYR 22 HE2 TYR 22 17.044 15.382 -0.840 200 HH TYR 22 HH TYR 22 18.363 17.237 -1.560 201 H LEU 23 HN LEU 23 22.567 10.122 2.481 202 HA LEU 23 HA LEU 23 21.437 7.627 3.293 203 HB2 LEU 23 HB2 LEU 23 23.891 8.223 3.430 204 HB3 LEU 23 HB1 LEU 23 23.520 9.387 4.690 205 HG LEU 23 HG LEU 23 22.763 7.509 6.157 206 HD11 LEU 23 HD11 LEU 23 23.772 5.702 3.950 207 HD12 LEU 23 HD12 LEU 23 22.097 5.892 4.473 208 HD13 LEU 23 HD13 LEU 23 23.282 5.193 5.569 209 HD21 LEU 23 HD21 LEU 23 25.061 8.355 6.347 210 HD22 LEU 23 HD22 LEU 23 25.606 7.199 5.128 211 HD23 LEU 23 HD23 LEU 23 24.991 6.626 6.682 212 H VAL 24 HN VAL 24 19.428 7.761 4.243 213 HA VAL 24 HA VAL 24 18.814 10.068 5.927 214 HB VAL 24 HB VAL 24 16.977 8.036 4.612 215 HG11 VAL 24 HG11 VAL 24 15.071 9.424 5.391 216 HG12 VAL 24 HG12 VAL 24 16.181 10.428 6.327 217 HG13 VAL 24 HG13 VAL 24 15.957 8.730 6.753 218 HG21 VAL 24 HG21 VAL 24 17.489 10.976 4.058 219 HG22 VAL 24 HG22 VAL 24 16.248 10.004 3.276 220 HG23 VAL 24 HG23 VAL 24 17.951 9.613 3.035 221 H LYS 25 HN LYS 25 18.856 9.901 8.057 222 HA LYS 25 HA LYS 25 18.906 7.363 9.441 223 HB2 LYS 25 HB2 LYS 25 20.087 9.659 10.106 224 HB3 LYS 25 HB1 LYS 25 18.542 10.040 10.843 225 HG2 LYS 25 HG2 LYS 25 20.399 7.738 11.573 226 HG3 LYS 25 HG1 LYS 25 20.079 9.191 12.522 227 HD2 LYS 25 HD2 LYS 25 17.678 8.437 12.728 228 HD3 LYS 25 HD1 LYS 25 18.131 6.934 11.922 229 HE2 LYS 25 HE2 LYS 25 18.064 6.582 14.319 230 HE3 LYS 25 HE1 LYS 25 19.733 6.464 13.765 231 HZ1 LYS 25 HZ1 LYS 25 19.644 7.732 15.773 232 HZ2 LYS 25 HZ2 LYS 25 18.483 8.779 15.137 233 HZ3 LYS 25 HZ3 LYS 25 20.045 8.779 14.507 234 H TRP 26 HN TRP 26 17.118 6.288 9.927 235 HA TRP 26 HA TRP 26 14.464 7.460 9.627 236 HB2 TRP 26 HB2 TRP 26 15.250 4.558 10.180 237 HB3 TRP 26 HB1 TRP 26 13.695 5.145 9.585 238 HD1 TRP 26 HD1 TRP 26 17.183 4.225 8.404 239 HE1 TRP 26 HE1 TRP 26 17.298 4.387 5.840 240 HE3 TRP 26 HE3 TRP 26 12.691 6.475 7.514 241 HZ2 TRP 26 HZ2 TRP 26 15.733 5.366 3.729 242 HZ3 TRP 26 HZ3 TRP 26 12.071 7.003 5.190 243 HH2 TRP 26 HH2 TRP 26 13.563 6.459 3.329 244 H LYS 27 HN LYS 27 12.907 7.504 11.321 245 HA LYS 27 HA LYS 27 14.011 8.409 13.753 246 HB2 LYS 27 HB2 LYS 27 11.935 9.292 12.759 247 HB3 LYS 27 HB1 LYS 27 11.125 7.771 13.072 248 HG2 LYS 27 HG2 LYS 27 10.360 9.285 14.722 249 HG3 LYS 27 HG1 LYS 27 11.469 8.197 15.553 250 HD2 LYS 27 HD2 LYS 27 12.454 10.868 14.497 251 HD3 LYS 27 HD1 LYS 27 11.563 10.800 16.014 252 HE2 LYS 27 HE2 LYS 27 13.285 9.268 16.943 253 HE3 LYS 27 HE1 LYS 27 14.172 9.348 15.421 254 HZ1 LYS 27 HZ1 LYS 27 14.324 11.787 15.783 255 HZ2 LYS 27 HZ2 LYS 27 15.161 10.854 16.917 256 HZ3 LYS 27 HZ3 LYS 27 13.678 11.551 17.328 257 H GLY 28 HN GLY 28 12.107 5.451 13.070 258 HA2 GLY 28 HA2 GLY 28 12.305 4.566 15.861 259 HA3 GLY 28 HA1 GLY 28 11.347 3.838 14.591 260 H TRP 29 HN TRP 29 14.516 4.408 13.545 261 HA TRP 29 HA TRP 29 15.356 1.628 14.126 262 HB2 TRP 29 HB2 TRP 29 15.629 3.095 11.450 263 HB3 TRP 29 HB1 TRP 29 16.220 1.474 11.792 264 HD1 TRP 29 HD1 TRP 29 12.800 3.346 11.606 265 HE1 TRP 29 HE1 TRP 29 11.027 1.716 10.724 266 HE3 TRP 29 HE3 TRP 29 15.656 -0.887 11.286 267 HZ2 TRP 29 HZ2 TRP 29 10.842 -0.979 9.977 268 HZ3 TRP 29 HZ3 TRP 29 14.603 -2.949 10.447 269 HH2 TRP 29 HH2 TRP 29 12.241 -2.997 9.803 270 HA PRO 30 HA PRO 30 19.084 3.753 15.537 271 HB2 PRO 30 HB2 PRO 30 20.872 1.634 15.476 272 HB3 PRO 30 HB1 PRO 30 19.664 1.866 16.747 273 HG2 PRO 30 HG2 PRO 30 19.559 0.088 14.328 274 HG3 PRO 30 HG1 PRO 30 19.074 -0.268 15.997 275 HD2 PRO 30 HD2 PRO 30 17.255 0.358 14.078 276 HD3 PRO 30 HD1 PRO 30 17.025 0.839 15.774 277 HA PRO 31 HA PRO 31 21.108 5.384 12.025 278 HB2 PRO 31 HB2 PRO 31 23.783 5.698 12.788 279 HB3 PRO 31 HB1 PRO 31 22.452 6.748 13.294 280 HG2 PRO 31 HG2 PRO 31 23.683 4.412 14.744 281 HG3 PRO 31 HG1 PRO 31 23.242 6.012 15.379 282 HD2 PRO 31 HD2 PRO 31 21.658 3.897 15.804 283 HD3 PRO 31 HD1 PRO 31 20.943 5.485 15.451 284 H LYS 32 HN LYS 32 22.309 2.227 12.936 285 HA LYS 32 HA LYS 32 23.968 1.910 10.567 286 HB2 LYS 32 HB2 LYS 32 24.269 -0.399 11.227 287 HB3 LYS 32 HB1 LYS 32 24.471 0.644 12.630 288 HG2 LYS 32 HG2 LYS 32 22.131 0.032 13.341 289 HG3 LYS 32 HG1 LYS 32 22.074 -1.113 11.989 290 HD2 LYS 32 HD2 LYS 32 24.163 -2.207 12.987 291 HD3 LYS 32 HD1 LYS 32 23.932 -1.178 14.406 292 HE2 LYS 32 HE2 LYS 32 22.957 -3.299 14.913 293 HE3 LYS 32 HE1 LYS 32 21.610 -2.200 14.622 294 HZ1 LYS 32 HZ1 LYS 32 22.705 -4.207 12.717 295 HZ2 LYS 32 HZ2 LYS 32 21.483 -3.101 12.344 296 HZ3 LYS 32 HZ3 LYS 32 21.217 -4.283 13.524 297 H TYR 33 HN TYR 33 20.602 1.582 11.271 298 HA TYR 33 HA TYR 33 19.965 0.148 8.797 299 HB2 TYR 33 HB2 TYR 33 18.255 1.282 11.045 300 HB3 TYR 33 HB1 TYR 33 17.537 0.688 9.553 301 HD1 TYR 33 HD2 TYR 33 19.364 -0.304 12.605 302 HD2 TYR 33 HD1 TYR 33 17.419 -1.704 9.072 303 HE1 TYR 33 HE2 TYR 33 19.353 -2.585 13.516 304 HE2 TYR 33 HE1 TYR 33 17.412 -3.986 9.978 305 HH TYR 33 HH TYR 33 18.615 -5.320 11.597 306 H SER 34 HN SER 34 20.895 3.253 9.452 307 HA SER 34 HA SER 34 19.228 4.821 7.781 308 HB2 SER 34 HB2 SER 34 20.891 5.779 9.374 309 HB3 SER 34 HB1 SER 34 22.202 5.144 8.384 310 HG SER 34 HG SER 34 20.562 6.593 6.839 311 H THR 35 HN THR 35 19.030 4.787 5.574 312 HA THR 35 HA THR 35 20.901 3.113 3.983 313 HB THR 35 HB THR 35 18.784 2.597 2.571 314 HG1 THR 35 HG1 THR 35 17.330 4.079 3.324 315 HG21 THR 35 HG21 THR 35 19.765 0.893 4.092 316 HG22 THR 35 HG22 THR 35 18.003 0.793 4.072 317 HG23 THR 35 HG23 THR 35 18.826 1.555 5.434 318 H TRP 36 HN TRP 36 21.023 3.654 1.686 319 HA TRP 36 HA TRP 36 21.040 6.565 1.227 320 HB2 TRP 36 HB2 TRP 36 22.314 4.291 -0.410 321 HB3 TRP 36 HB1 TRP 36 22.489 6.008 -0.750 322 HD1 TRP 36 HD1 TRP 36 23.834 3.249 1.538 323 HE1 TRP 36 HE1 TRP 36 25.925 4.133 2.741 324 HE3 TRP 36 HE3 TRP 36 23.535 8.187 0.208 325 HZ2 TRP 36 HZ2 TRP 36 27.272 6.585 3.098 326 HZ3 TRP 36 HZ3 TRP 36 25.259 9.738 1.034 327 HH2 TRP 36 HH2 TRP 36 27.092 8.953 2.453 328 H GLU 37 HN GLU 37 19.238 7.280 0.263 329 HA GLU 37 HA GLU 37 18.100 5.828 -2.074 330 HB2 GLU 37 HB2 GLU 37 16.818 7.728 -0.091 331 HB3 GLU 37 HB1 GLU 37 16.062 7.339 -1.626 332 HG2 GLU 37 HG2 GLU 37 14.997 6.071 0.066 333 HG3 GLU 37 HG1 GLU 37 15.954 4.965 -0.920 334 HA PRO 38 HA PRO 38 19.211 9.604 -4.443 335 HB2 PRO 38 HB2 PRO 38 17.376 9.428 -6.481 336 HB3 PRO 38 HB1 PRO 38 18.839 8.435 -6.419 337 HG2 PRO 38 HG2 PRO 38 16.031 7.714 -5.570 338 HG3 PRO 38 HG1 PRO 38 17.171 6.767 -6.552 339 HD2 PRO 38 HD2 PRO 38 16.830 6.258 -3.917 340 HD3 PRO 38 HD1 PRO 38 18.430 6.103 -4.681 341 H GLU 39 HN GLU 39 18.304 11.719 -4.717 342 HA GLU 39 HA GLU 39 16.883 12.570 -2.475 343 HB2 GLU 39 HB2 GLU 39 16.953 14.821 -3.449 344 HB3 GLU 39 HB1 GLU 39 18.489 13.989 -3.655 345 HG2 GLU 39 HG2 GLU 39 18.070 13.606 -5.992 346 HG3 GLU 39 HG1 GLU 39 16.401 14.145 -5.844 347 H GLU 40 HN GLU 40 15.586 11.458 -5.418 348 HA GLU 40 HA GLU 40 13.196 12.855 -5.774 349 HB2 GLU 40 HB2 GLU 40 13.694 9.900 -6.345 350 HB3 GLU 40 HB1 GLU 40 12.491 10.927 -7.130 351 HG2 GLU 40 HG2 GLU 40 15.514 11.206 -7.346 352 HG3 GLU 40 HG1 GLU 40 14.451 10.519 -8.571 353 H HIS 41 HN HIS 41 14.025 10.407 -3.438 354 HA HIS 41 HA HIS 41 11.399 9.399 -2.893 355 HB2 HIS 41 HB2 HIS 41 12.431 8.013 -1.289 356 HB3 HIS 41 HB1 HIS 41 13.659 8.227 -2.526 357 HD1 HIS 41 HD1 HIS 41 13.508 7.951 0.915 358 HD2 HIS 41 HD2 HIS 41 15.382 10.694 -1.572 359 HE1 HIS 41 HE1 HIS 41 15.340 8.929 2.280 360 HE2 HIS 41 HE2 HIS 41 16.620 10.386 0.684 361 H ILE 42 HN ILE 42 12.951 12.250 -1.898 362 HA ILE 42 HA ILE 42 11.969 12.527 0.771 363 HB ILE 42 HB ILE 42 12.912 14.678 -1.192 364 HG12 ILE 42 HG12 ILE 42 14.658 12.936 -0.766 365 HG13 ILE 42 HG11 ILE 42 15.125 14.512 -0.143 366 HG21 ILE 42 HG21 ILE 42 12.617 14.817 1.833 367 HG22 ILE 42 HG22 ILE 42 11.620 15.656 0.642 368 HG23 ILE 42 HG23 ILE 42 13.323 16.071 0.811 369 HD11 ILE 42 HD11 ILE 42 14.056 12.222 1.511 370 HD12 ILE 42 HD12 ILE 42 14.594 13.791 2.120 371 HD13 ILE 42 HD13 ILE 42 15.747 12.699 1.357 372 H LEU 43 HN LEU 43 9.894 12.960 1.351 373 HA LEU 43 HA LEU 43 7.912 13.683 -0.675 374 HB2 LEU 43 HB2 LEU 43 7.468 13.106 2.281 375 HB3 LEU 43 HB1 LEU 43 6.244 13.157 1.018 376 HG LEU 43 HG LEU 43 8.370 11.025 1.476 377 HD11 LEU 43 HD11 LEU 43 6.462 9.511 1.671 378 HD12 LEU 43 HD12 LEU 43 5.345 10.849 1.400 379 HD13 LEU 43 HD13 LEU 43 6.360 10.821 2.841 380 HD21 LEU 43 HD21 LEU 43 8.317 11.405 -0.915 381 HD22 LEU 43 HD22 LEU 43 6.557 11.272 -0.943 382 HD23 LEU 43 HD23 LEU 43 7.548 9.866 -0.536 383 H ASP 44 HN ASP 44 9.841 15.364 1.590 384 HA ASP 44 HA ASP 44 8.192 17.776 1.419 385 HB2 ASP 44 HB2 ASP 44 7.410 16.520 3.452 386 HB3 ASP 44 HB1 ASP 44 9.043 16.609 4.110 387 HA PRO 45 HA PRO 45 12.356 19.433 0.696 388 HB2 PRO 45 HB2 PRO 45 11.744 22.134 1.140 389 HB3 PRO 45 HB1 PRO 45 11.476 21.274 -0.382 390 HG2 PRO 45 HG2 PRO 45 9.534 21.786 1.876 391 HG3 PRO 45 HG1 PRO 45 9.285 21.976 0.126 392 HD2 PRO 45 HD2 PRO 45 8.335 19.832 1.364 393 HD3 PRO 45 HD1 PRO 45 9.124 19.633 -0.221 394 H ARG 46 HN ARG 46 10.587 20.199 3.660 395 HA ARG 46 HA ARG 46 12.716 21.478 5.055 396 HB2 ARG 46 HB2 ARG 46 10.196 20.122 6.076 397 HB3 ARG 46 HB1 ARG 46 11.314 20.991 7.119 398 HG2 ARG 46 HG2 ARG 46 9.773 22.202 4.795 399 HG3 ARG 46 HG1 ARG 46 9.370 22.374 6.510 400 HD2 ARG 46 HD2 ARG 46 11.542 23.494 6.900 401 HD3 ARG 46 HD1 ARG 46 11.931 23.333 5.183 402 HE ARG 46 HE ARG 46 9.542 24.684 5.239 403 HH11 ARG 46 HH11 ARG 46 12.686 25.259 6.706 404 HH12 ARG 46 HH12 ARG 46 12.570 26.982 6.540 405 HH21 ARG 46 HH21 ARG 46 9.404 26.943 5.057 406 HH22 ARG 46 HH22 ARG 46 10.712 27.936 5.605 407 H LEU 47 HN LEU 47 12.127 18.147 4.395 408 HA LEU 47 HA LEU 47 13.685 16.998 6.490 409 HB2 LEU 47 HB2 LEU 47 12.083 15.664 5.261 410 HB3 LEU 47 HB1 LEU 47 12.875 16.003 3.736 411 HG LEU 47 HG LEU 47 14.722 14.543 4.258 412 HD11 LEU 47 HD11 LEU 47 15.092 15.050 6.598 413 HD12 LEU 47 HD12 LEU 47 14.927 13.310 6.374 414 HD13 LEU 47 HD13 LEU 47 13.587 14.242 7.046 415 HD21 LEU 47 HD21 LEU 47 12.126 13.185 5.076 416 HD22 LEU 47 HD22 LEU 47 13.585 12.372 4.502 417 HD23 LEU 47 HD23 LEU 47 12.689 13.436 3.419 418 H VAL 48 HN VAL 48 14.483 17.904 3.104 419 HA VAL 48 HA VAL 48 17.288 17.289 3.264 420 HB VAL 48 HB VAL 48 15.976 19.291 1.356 421 HG11 VAL 48 HG11 VAL 48 18.539 17.663 1.057 422 HG12 VAL 48 HG12 VAL 48 18.441 19.401 1.358 423 HG13 VAL 48 HG13 VAL 48 17.857 18.739 -0.170 424 HG21 VAL 48 HG21 VAL 48 16.251 16.284 0.980 425 HG22 VAL 48 HG22 VAL 48 15.692 17.426 -0.247 426 HG23 VAL 48 HG23 VAL 48 14.745 17.176 1.221 427 H MET 49 HN MET 49 15.329 20.134 3.774 428 HA MET 49 HA MET 49 17.405 22.061 3.982 429 HB2 MET 49 HB2 MET 49 14.451 22.083 4.697 430 HB3 MET 49 HB1 MET 49 15.487 23.490 4.978 431 HG2 MET 49 HG2 MET 49 15.981 23.584 2.559 432 HG3 MET 49 HG1 MET 49 14.943 22.181 2.297 433 HE1 MET 49 HE1 MET 49 13.399 26.322 3.678 434 HE2 MET 49 HE2 MET 49 15.075 25.999 3.241 435 HE3 MET 49 HE3 MET 49 14.394 25.292 4.708 436 H ALA 50 HN ALA 50 15.751 20.000 6.340 437 HA ALA 50 HA ALA 50 16.599 21.232 8.743 438 HB1 ALA 50 HB1 ALA 50 14.833 19.508 8.692 439 HB2 ALA 50 HB2 ALA 50 16.104 19.077 9.839 440 HB3 ALA 50 HB3 ALA 50 16.026 18.284 8.258 441 H TYR 51 HN TYR 51 18.258 19.131 6.500 442 HA TYR 51 HA TYR 51 20.376 18.191 8.126 443 HB2 TYR 51 HB2 TYR 51 19.790 17.165 5.966 444 HB3 TYR 51 HB1 TYR 51 20.240 18.633 5.113 445 HD1 TYR 51 HD1 TYR 51 21.743 16.074 7.435 446 HD2 TYR 51 HD2 TYR 51 22.384 18.706 4.141 447 HE1 TYR 51 HE1 TYR 51 23.994 15.150 7.137 448 HE2 TYR 51 HE2 TYR 51 24.647 17.793 3.848 449 HH TYR 51 HH TYR 51 26.347 16.613 5.132 450 H GLU 52 HN GLU 52 20.242 20.939 5.804 451 HA GLU 52 HA GLU 52 22.930 21.834 6.566 452 HB2 GLU 52 HB2 GLU 52 21.032 22.849 4.393 453 HB3 GLU 52 HB1 GLU 52 22.694 23.404 4.637 454 HG2 GLU 52 HG2 GLU 52 23.494 21.076 4.242 455 HG3 GLU 52 HG1 GLU 52 21.832 20.581 3.920 456 H GLU 53 HN GLU 53 19.618 23.217 6.481 457 HA GLU 53 HA GLU 53 20.296 25.330 8.375 458 HB2 GLU 53 HB2 GLU 53 17.479 24.489 7.539 459 HB3 GLU 53 HB1 GLU 53 17.988 26.043 8.204 460 HG2 GLU 53 HG2 GLU 53 18.569 24.937 5.437 461 HG3 GLU 53 HG1 GLU 53 17.495 26.272 5.848 462 H LYS 54 HN LYS 54 21.203 23.590 9.756 463 HA LYS 54 HA LYS 54 19.589 21.588 10.967 464 HB2 LYS 54 HB2 LYS 54 21.521 21.013 12.318 465 HB3 LYS 54 HB1 LYS 54 22.041 21.306 10.667 466 HG2 LYS 54 HG2 LYS 54 22.326 23.376 12.879 467 HG3 LYS 54 HG1 LYS 54 23.563 22.167 12.519 468 HD2 LYS 54 HD2 LYS 54 23.840 23.059 10.260 469 HD3 LYS 54 HD1 LYS 54 22.515 24.202 10.516 470 HE2 LYS 54 HE2 LYS 54 24.648 25.351 10.747 471 HE3 LYS 54 HE1 LYS 54 23.830 25.301 12.308 472 HZ1 LYS 54 HZ1 LYS 54 25.255 23.448 12.945 473 HZ2 LYS 54 HZ2 LYS 54 26.170 24.807 12.529 474 HZ3 LYS 54 HZ3 LYS 54 26.045 23.515 11.451 475 H GLU 55 HN GLU 55 19.004 21.366 13.145 476 HA GLU 55 HA GLU 55 17.993 21.913 15.080 477 HB2 GLU 55 HB2 GLU 55 19.750 24.408 15.179 478 HB3 GLU 55 HB1 GLU 55 18.947 23.621 16.536 479 HG2 GLU 55 HG2 GLU 55 21.286 22.565 14.915 480 HG3 GLU 55 HG1 GLU 55 21.309 23.103 16.594 481 H GLU 56 HN GLU 56 16.996 22.927 12.481 482 HA GLU 56 HA GLU 56 15.581 25.372 12.899 483 HB2 GLU 56 HB2 GLU 56 16.132 24.495 10.640 484 HB3 GLU 56 HB1 GLU 56 15.073 23.116 10.900 485 HG2 GLU 56 HG2 GLU 56 13.118 24.583 10.962 486 HG3 GLU 56 HG1 GLU 56 14.150 26.005 10.824 487 H1 ALA 1 HT1 ALA 1 9.605 22.001 15.621 488 H2 ALA 1 HT2 ALA 1 9.563 20.317 15.751 489 H3 ALA 1 HT3 ALA 1 8.396 21.251 16.531 490 HA ALA 1 HA ALA 1 7.515 21.993 14.446 491 HB1 ALA 1 HB1 ALA 1 8.331 21.024 12.325 492 HB2 ALA 1 HB2 ALA 1 9.597 20.160 13.202 493 HB3 ALA 1 HB3 ALA 1 9.610 21.924 13.145 494 H ARG 2 HN ARG 2 5.662 21.009 15.174 495 HA ARG 2 HA ARG 2 5.394 18.134 15.415 496 HB2 ARG 2 HB2 ARG 2 3.308 20.358 15.580 497 HB3 ARG 2 HB1 ARG 2 2.984 18.659 15.918 498 HG2 ARG 2 HG2 ARG 2 4.889 20.455 17.472 499 HG3 ARG 2 HG1 ARG 2 3.276 19.948 17.992 500 HD2 ARG 2 HD2 ARG 2 4.007 17.610 18.071 501 HD3 ARG 2 HD1 ARG 2 5.604 18.062 17.461 502 HE ARG 2 HE ARG 2 5.015 19.493 19.834 503 HH11 ARG 2 HH11 ARG 2 5.875 16.242 18.829 504 HH12 ARG 2 HH12 ARG 2 6.685 15.866 20.309 505 HH21 ARG 2 HH21 ARG 2 6.111 19.001 21.756 506 HH22 ARG 2 HH22 ARG 2 6.803 17.430 21.984 507 H THR 3 HN THR 3 5.693 17.167 13.495 508 HA THR 3 HA THR 3 3.732 17.301 11.407 509 HB THR 3 HB THR 3 5.065 19.263 10.736 510 HG1 THR 3 HG1 THR 3 5.777 18.442 8.630 511 HG21 THR 3 HG21 THR 3 7.451 19.087 10.115 512 HG22 THR 3 HG22 THR 3 7.478 17.411 10.664 513 HG23 THR 3 HG23 THR 3 7.216 18.715 11.825 514 H LYS 4 HN LYS 4 4.359 15.750 9.616 515 HA LYS 4 HA LYS 4 6.118 13.557 10.558 516 HB2 LYS 4 HB2 LYS 4 3.477 13.389 9.045 517 HB3 LYS 4 HB1 LYS 4 4.593 12.032 9.183 518 HG2 LYS 4 HG2 LYS 4 3.230 13.433 11.513 519 HG3 LYS 4 HG1 LYS 4 2.732 11.896 10.793 520 HD2 LYS 4 HD2 LYS 4 4.899 10.890 11.448 521 HD3 LYS 4 HD1 LYS 4 5.402 12.428 12.161 522 HE2 LYS 4 HE2 LYS 4 3.554 12.265 13.795 523 HE3 LYS 4 HE1 LYS 4 3.046 10.736 13.072 524 HZ1 LYS 4 HZ1 LYS 4 4.358 10.321 15.003 525 HZ2 LYS 4 HZ2 LYS 4 5.627 11.274 14.428 526 HZ3 LYS 4 HZ3 LYS 4 5.235 9.830 13.644 527 H GLN 5 HN GLN 5 7.664 15.069 9.429 528 HA GLN 5 HA GLN 5 7.852 15.003 6.601 529 HB2 GLN 5 HB2 GLN 5 10.160 15.685 6.814 530 HB3 GLN 5 HB1 GLN 5 9.223 16.556 8.013 531 HG2 GLN 5 HG2 GLN 5 10.989 14.162 8.588 532 HG3 GLN 5 HG1 GLN 5 11.461 15.838 8.814 533 HE21 GLN 5 HE21 GLN 5 11.355 13.661 10.757 534 HE22 GLN 5 HE22 GLN 5 10.303 14.203 12.017 535 H THR 6 HN THR 6 8.335 13.347 5.290 536 HA THR 6 HA THR 6 9.287 10.771 6.353 537 HB THR 6 HB THR 6 7.354 9.716 4.908 538 HG1 THR 6 HG1 THR 6 6.008 12.118 5.582 539 HG21 THR 6 HG21 THR 6 6.673 11.070 7.546 540 HG22 THR 6 HG22 THR 6 7.444 9.490 7.370 541 HG23 THR 6 HG23 THR 6 5.787 9.731 6.809 542 H ALA 7 HN ALA 7 9.687 9.193 4.639 543 HA ALA 7 HA ALA 7 10.269 10.178 1.963 544 HB1 ALA 7 HB1 ALA 7 12.651 9.583 2.078 545 HB2 ALA 7 HB2 ALA 7 12.485 9.198 3.794 546 HB3 ALA 7 HB3 ALA 7 12.260 10.855 3.235 547 H ARG 8 HN ARG 8 10.184 8.519 0.497 548 HA ARG 8 HA ARG 8 9.481 5.841 1.347 549 HB2 ARG 8 HB2 ARG 8 10.026 6.886 -1.470 550 HB3 ARG 8 HB1 ARG 8 9.277 5.340 -1.058 551 HG2 ARG 8 HG2 ARG 8 7.380 6.606 0.004 552 HG3 ARG 8 HG1 ARG 8 8.111 8.109 -0.572 553 HD2 ARG 8 HD2 ARG 8 7.111 5.814 -2.304 554 HD3 ARG 8 HD1 ARG 8 6.306 7.367 -2.064 555 HE ARG 8 HE ARG 8 8.700 8.127 -3.018 556 HH11 ARG 8 HH11 ARG 8 6.407 5.761 -4.260 557 HH12 ARG 8 HH12 ARG 8 6.856 6.029 -5.908 558 HH21 ARG 8 HH21 ARG 8 9.269 8.453 -5.177 559 HH22 ARG 8 HH22 ARG 8 8.481 7.545 -6.426 560 H M3L 9 HN M3L 9 10.776 3.931 1.051 561 HA M3L 9 HA M3L 9 13.630 4.450 1.186 562 HB2 M3L 9 HB2 M3L 9 12.013 1.906 1.528 563 HB3 M3L 9 HB1 M3L 9 13.781 1.922 1.552 564 HG2 M3L 9 HG2 M3L 9 13.602 3.699 3.383 565 HG3 M3L 9 HG1 M3L 9 11.884 3.288 3.486 566 HD2 M3L 9 HD2 M3L 9 12.393 1.029 4.173 567 HD3 M3L 9 HD1 M3L 9 14.108 1.230 3.789 568 HE2 M3L 9 HE2 M3L 9 14.208 3.015 5.586 569 HE3 M3L 9 HE1 M3L 9 12.561 2.576 6.040 570 HM11 M3L 9 HH33 M3L 9 15.784 -0.207 6.640 571 HM12 M3L 9 HH31 M3L 9 16.107 1.371 5.907 572 HM13 M3L 9 HH32 M3L 9 15.232 0.134 5.001 573 HM21 M3L 9 HH11 M3L 9 13.436 -0.834 7.303 574 HM22 M3L 9 HH12 M3L 9 12.857 -0.482 5.672 575 HM23 M3L 9 HH13 M3L 9 12.109 0.308 7.062 576 HM31 M3L 9 HH21 M3L 9 14.674 0.924 8.600 577 HM32 M3L 9 HH22 M3L 9 13.365 2.077 8.335 578 HM33 M3L 9 HH23 M3L 9 15.015 2.495 7.868 579 H SER 10 HN SER 10 15.149 2.887 0.093 580 HA SER 10 HA SER 10 14.968 3.080 -2.772 581 HB2 SER 10 HB2 SER 10 17.099 3.349 -1.497 582 HB3 SER 10 HB1 SER 10 16.994 1.678 -0.960 583 HG SER 10 HG SER 10 18.248 2.502 -3.032 584 H THR 11 HN THR 11 15.663 1.027 -4.047 585 HA THR 11 HA THR 11 14.469 -1.476 -3.017 586 HB THR 11 HB THR 11 12.870 -0.426 -4.625 587 HG1 THR 11 HG1 THR 11 13.895 -2.894 -4.735 588 HG21 THR 11 HG21 THR 11 14.472 0.775 -6.093 589 HG22 THR 11 HG22 THR 11 13.408 -0.282 -7.026 590 HG23 THR 11 HG23 THR 11 15.075 -0.765 -6.699 591 H GLY 12 HN GLY 12 17.240 -0.130 -3.454 592 HA2 GLY 12 HA2 GLY 12 19.386 -0.905 -3.751 593 HA3 GLY 12 HA1 GLY 12 18.730 -2.502 -4.086 594 H GLY 13 HN GLY 13 17.896 0.443 -5.824 595 HA2 GLY 13 HA2 GLY 13 18.565 1.182 -7.954 596 HA3 GLY 13 HA1 GLY 13 19.446 -0.320 -8.206 597 H LYS 14 HN LYS 14 18.182 -2.296 -8.564 598 HA LYS 14 HA LYS 14 15.376 -2.184 -9.176 599 HB2 LYS 14 HB2 LYS 14 16.334 -1.021 -11.189 600 HB3 LYS 14 HB1 LYS 14 17.289 -2.454 -11.553 601 HG2 LYS 14 HG2 LYS 14 15.229 -3.757 -11.912 602 HG3 LYS 14 HG1 LYS 14 14.245 -2.352 -11.486 603 HD2 LYS 14 HD2 LYS 14 16.116 -2.579 -13.885 604 HD3 LYS 14 HD1 LYS 14 14.352 -2.652 -13.927 605 HE2 LYS 14 HE2 LYS 14 14.271 -0.312 -13.057 606 HE3 LYS 14 HE1 LYS 14 16.035 -0.254 -13.123 607 HZ1 LYS 14 HZ1 LYS 14 15.897 -0.642 -15.506 608 HZ2 LYS 14 HZ2 LYS 14 15.069 0.759 -15.053 609 HZ3 LYS 14 HZ3 LYS 14 14.208 -0.648 -15.418 610 H ALA 15 HN ALA 15 14.628 -4.151 -8.731 611 HA ALA 15 HA ALA 15 16.353 -6.543 -8.918 612 HB1 ALA 15 HB1 ALA 15 15.368 -6.129 -6.688 613 HB2 ALA 15 HB2 ALA 15 14.689 -7.598 -7.399 614 HB3 ALA 15 HB3 ALA 15 13.750 -6.105 -7.393 Start of MODEL 11 1 H1 GLY 1 HT1 GLY 1 8.928 -1.340 -3.826 2 H2 GLY 1 HT2 GLY 1 9.087 -2.941 -3.296 3 H3 GLY 1 HT3 GLY 1 10.267 -1.797 -2.891 4 HA2 GLY 1 HA1 GLY 1 7.458 -1.844 -1.948 5 HA3 GLY 1 HA2 GLY 1 8.883 -2.210 -0.990 6 H GLU 2 HN GLU 2 7.227 0.328 -2.813 7 HA GLU 2 HA GLU 2 8.961 2.461 -1.860 8 HB2 GLU 2 HB2 GLU 2 6.546 2.541 -3.713 9 HB3 GLU 2 HB1 GLU 2 7.534 3.935 -3.313 10 HG2 GLU 2 HG2 GLU 2 8.157 3.117 -5.504 11 HG3 GLU 2 HG1 GLU 2 9.490 2.862 -4.380 12 H GLN 3 HN GLN 3 8.464 2.128 0.388 13 HA GLN 3 HA GLN 3 5.732 2.892 1.280 14 HB2 GLN 3 HB2 GLN 3 7.811 1.231 2.782 15 HB3 GLN 3 HB1 GLN 3 6.154 1.554 3.300 16 HG2 GLN 3 HG2 GLN 3 7.010 -0.090 0.900 17 HG3 GLN 3 HG1 GLN 3 6.394 -0.715 2.425 18 HE21 GLN 3 HE21 GLN 3 4.242 1.273 2.675 19 HE22 GLN 3 HE22 GLN 3 3.070 0.868 1.475 20 H VAL 4 HN VAL 4 5.512 4.504 2.784 21 HA VAL 4 HA VAL 4 7.777 6.253 3.304 22 HB VAL 4 HB VAL 4 6.142 7.770 4.377 23 HG11 VAL 4 HG11 VAL 4 5.228 6.748 1.669 24 HG12 VAL 4 HG12 VAL 4 6.483 7.952 1.979 25 HG13 VAL 4 HG13 VAL 4 4.803 8.314 2.373 26 HG21 VAL 4 HG21 VAL 4 4.026 5.656 3.785 27 HG22 VAL 4 HG22 VAL 4 3.710 7.289 4.385 28 HG23 VAL 4 HG23 VAL 4 4.598 6.139 5.385 29 H PHE 5 HN PHE 5 8.822 6.515 5.197 30 HA PHE 5 HA PHE 5 7.801 5.286 7.683 31 HB2 PHE 5 HB2 PHE 5 10.646 5.024 6.578 32 HB3 PHE 5 HB1 PHE 5 10.226 4.673 8.249 33 HD1 PHE 5 HD1 PHE 5 9.767 3.562 4.736 34 HD2 PHE 5 HD2 PHE 5 9.136 2.590 8.849 35 HE1 PHE 5 HE1 PHE 5 9.189 1.259 4.111 36 HE2 PHE 5 HE2 PHE 5 8.560 0.292 8.211 37 HZ PHE 5 HZ PHE 5 8.585 -0.376 5.846 38 H ALA 6 HN ALA 6 8.304 6.414 9.537 39 HA ALA 6 HA ALA 6 8.636 9.231 9.377 40 HB1 ALA 6 HB1 ALA 6 8.606 9.162 11.846 41 HB2 ALA 6 HB2 ALA 6 8.796 7.407 11.808 42 HB3 ALA 6 HB3 ALA 6 7.326 8.149 11.174 43 H VAL 7 HN VAL 7 10.496 10.324 9.173 44 HA VAL 7 HA VAL 7 13.077 8.972 9.598 45 HB VAL 7 HB VAL 7 14.081 10.677 8.210 46 HG11 VAL 7 HG11 VAL 7 11.414 9.886 6.969 47 HG12 VAL 7 HG12 VAL 7 12.904 8.943 6.944 48 HG13 VAL 7 HG13 VAL 7 12.827 10.476 6.084 49 HG21 VAL 7 HG21 VAL 7 12.791 12.608 7.302 50 HG22 VAL 7 HG22 VAL 7 12.976 12.665 9.051 51 HG23 VAL 7 HG23 VAL 7 11.440 12.164 8.348 52 H GLU 8 HN GLU 8 14.720 9.919 10.829 53 HA GLU 8 HA GLU 8 14.004 11.775 12.962 54 HB2 GLU 8 HB2 GLU 8 15.423 9.790 13.429 55 HB3 GLU 8 HB1 GLU 8 16.625 10.362 12.280 56 HG2 GLU 8 HG2 GLU 8 17.023 12.348 13.728 57 HG3 GLU 8 HG1 GLU 8 15.851 11.710 14.883 58 H SER 9 HN SER 9 16.672 11.562 10.580 59 HA SER 9 HA SER 9 16.383 14.262 9.595 60 HB2 SER 9 HB2 SER 9 18.898 13.556 11.206 61 HB3 SER 9 HB1 SER 9 18.642 15.050 10.306 62 HG SER 9 HG SER 9 17.445 14.182 12.701 63 H ILE 10 HN ILE 10 18.392 14.681 8.038 64 HA ILE 10 HA ILE 10 19.234 12.230 6.663 65 HB ILE 10 HB ILE 10 20.072 15.118 6.118 66 HG12 ILE 10 HG12 ILE 10 17.643 14.834 5.762 67 HG13 ILE 10 HG11 ILE 10 18.485 15.154 4.256 68 HG21 ILE 10 HG21 ILE 10 20.863 14.288 3.931 69 HG22 ILE 10 HG22 ILE 10 20.421 12.640 4.385 70 HG23 ILE 10 HG23 ILE 10 21.696 13.484 5.264 71 HD11 ILE 10 HD11 ILE 10 17.466 12.472 5.190 72 HD12 ILE 10 HD12 ILE 10 18.342 12.766 3.684 73 HD13 ILE 10 HD13 ILE 10 16.761 13.501 3.943 74 H ARG 11 HN ARG 11 20.993 11.175 7.378 75 HA ARG 11 HA ARG 11 22.808 12.243 9.335 76 HB2 ARG 11 HB2 ARG 11 21.973 9.710 8.892 77 HB3 ARG 11 HB1 ARG 11 23.422 9.642 7.904 78 HG2 ARG 11 HG2 ARG 11 23.304 10.287 10.880 79 HG3 ARG 11 HG1 ARG 11 23.805 8.751 10.175 80 HD2 ARG 11 HD2 ARG 11 25.762 9.854 9.162 81 HD3 ARG 11 HD1 ARG 11 25.233 11.412 9.811 82 HE ARG 11 HE ARG 11 25.978 9.111 11.531 83 HH11 ARG 11 HH11 ARG 11 26.100 12.551 10.856 84 HH12 ARG 11 HH12 ARG 11 27.088 12.904 12.232 85 HH21 ARG 11 HH21 ARG 11 27.266 9.594 13.334 86 HH22 ARG 11 HH22 ARG 11 27.770 11.226 13.624 87 H LYS 12 HN LYS 12 23.315 10.935 6.007 88 HA LYS 12 HA LYS 12 25.642 12.754 5.646 89 HB2 LYS 12 HB2 LYS 12 25.394 9.859 4.725 90 HB3 LYS 12 HB1 LYS 12 26.713 10.943 4.292 91 HG2 LYS 12 HG2 LYS 12 27.401 11.065 6.657 92 HG3 LYS 12 HG1 LYS 12 26.059 9.998 7.103 93 HD2 LYS 12 HD2 LYS 12 27.020 8.191 5.715 94 HD3 LYS 12 HD1 LYS 12 28.340 9.259 5.219 95 HE2 LYS 12 HE2 LYS 12 27.811 8.403 8.087 96 HE3 LYS 12 HE1 LYS 12 28.977 7.637 7.008 97 HZ1 LYS 12 HZ1 LYS 12 29.042 10.465 7.885 98 HZ2 LYS 12 HZ2 LYS 12 30.155 9.739 6.851 99 HZ3 LYS 12 HZ3 LYS 12 30.040 9.231 8.456 100 H LYS 13 HN LYS 13 26.298 12.760 3.210 101 HA LYS 13 HA LYS 13 24.089 12.803 1.329 102 HB2 LYS 13 HB2 LYS 13 23.677 14.926 2.514 103 HB3 LYS 13 HB1 LYS 13 25.359 15.403 2.321 104 HG2 LYS 13 HG2 LYS 13 25.008 15.500 -0.158 105 HG3 LYS 13 HG1 LYS 13 23.300 15.116 0.096 106 HD2 LYS 13 HD2 LYS 13 23.029 17.193 1.412 107 HD3 LYS 13 HD1 LYS 13 24.742 17.569 1.194 108 HE2 LYS 13 HE2 LYS 13 24.376 17.743 -1.250 109 HE3 LYS 13 HE1 LYS 13 22.664 17.369 -1.016 110 HZ1 LYS 13 HZ1 LYS 13 23.095 19.738 -1.241 111 HZ2 LYS 13 HZ2 LYS 13 24.060 19.708 0.143 112 HZ3 LYS 13 HZ3 LYS 13 22.411 19.365 0.258 113 H ARG 14 HN ARG 14 24.808 12.879 -0.769 114 HA ARG 14 HA ARG 14 27.370 13.750 -1.653 115 HB2 ARG 14 HB2 ARG 14 28.352 11.587 -2.305 116 HB3 ARG 14 HB1 ARG 14 28.062 11.591 -0.565 117 HG2 ARG 14 HG2 ARG 14 25.935 10.315 -0.968 118 HG3 ARG 14 HG1 ARG 14 26.365 10.217 -2.678 119 HD2 ARG 14 HD2 ARG 14 28.434 8.985 -2.060 120 HD3 ARG 14 HD1 ARG 14 27.951 9.075 -0.354 121 HE ARG 14 HE ARG 14 25.918 7.881 -1.977 122 HH11 ARG 14 HH11 ARG 14 28.963 7.143 -0.386 123 HH12 ARG 14 HH12 ARG 14 28.610 5.455 -0.268 124 HH21 ARG 14 HH21 ARG 14 25.476 5.671 -1.787 125 HH22 ARG 14 HH22 ARG 14 26.646 4.625 -1.060 126 H VAL 15 HN VAL 15 27.671 12.792 -4.028 127 HA VAL 15 HA VAL 15 25.185 11.887 -5.278 128 HB VAL 15 HB VAL 15 25.255 14.303 -5.805 129 HG11 VAL 15 HG11 VAL 15 27.046 15.322 -7.164 130 HG12 VAL 15 HG12 VAL 15 27.961 13.813 -7.101 131 HG13 VAL 15 HG13 VAL 15 27.671 14.727 -5.621 132 HG21 VAL 15 HG21 VAL 15 24.290 12.785 -7.477 133 HG22 VAL 15 HG22 VAL 15 25.870 12.572 -8.234 134 HG23 VAL 15 HG23 VAL 15 25.077 14.148 -8.279 135 H ARG 16 HN ARG 16 25.567 10.146 -6.477 136 HA ARG 16 HA ARG 16 28.229 9.555 -7.563 137 HB2 ARG 16 HB2 ARG 16 28.086 8.469 -5.298 138 HB3 ARG 16 HB1 ARG 16 26.642 7.605 -5.819 139 HG2 ARG 16 HG2 ARG 16 27.954 6.425 -7.540 140 HG3 ARG 16 HG1 ARG 16 29.405 7.304 -7.054 141 HD2 ARG 16 HD2 ARG 16 29.271 6.252 -4.813 142 HD3 ARG 16 HD1 ARG 16 27.831 5.360 -5.329 143 HE ARG 16 HE ARG 16 30.572 4.999 -6.402 144 HH11 ARG 16 HH11 ARG 16 27.332 3.707 -5.932 145 HH12 ARG 16 HH12 ARG 16 27.775 2.109 -6.437 146 HH21 ARG 16 HH21 ARG 16 31.131 2.908 -7.064 147 HH22 ARG 16 HH22 ARG 16 29.929 1.659 -7.075 148 H LYS 17 HN LYS 17 28.028 8.906 -9.597 149 HA LYS 17 HA LYS 17 27.240 8.185 -11.594 150 HB2 LYS 17 HB2 LYS 17 25.173 6.563 -10.037 151 HB3 LYS 17 HB1 LYS 17 25.695 6.285 -11.697 152 HG2 LYS 17 HG2 LYS 17 27.378 5.930 -9.193 153 HG3 LYS 17 HG1 LYS 17 26.678 4.640 -10.178 154 HD2 LYS 17 HD2 LYS 17 28.115 5.243 -12.059 155 HD3 LYS 17 HD1 LYS 17 28.743 6.643 -11.179 156 HE2 LYS 17 HE2 LYS 17 29.748 5.120 -9.500 157 HE3 LYS 17 HE1 LYS 17 29.123 3.730 -10.395 158 HZ1 LYS 17 HZ1 LYS 17 31.445 4.193 -10.891 159 HZ2 LYS 17 HZ2 LYS 17 31.037 5.728 -11.463 160 HZ3 LYS 17 HZ3 LYS 17 30.479 4.351 -12.267 161 H GLY 18 HN GLY 18 26.118 10.587 -10.283 162 HA2 GLY 18 HA2 GLY 18 24.688 12.269 -11.009 163 HA3 GLY 18 HA1 GLY 18 23.885 11.129 -12.071 164 H LYS 19 HN LYS 19 23.889 9.527 -9.255 165 HA LYS 19 HA LYS 19 21.178 10.313 -8.478 166 HB2 LYS 19 HB2 LYS 19 22.981 8.028 -7.534 167 HB3 LYS 19 HB1 LYS 19 21.302 8.259 -7.045 168 HG2 LYS 19 HG2 LYS 19 22.154 7.849 -9.924 169 HG3 LYS 19 HG1 LYS 19 21.732 6.508 -8.852 170 HD2 LYS 19 HD2 LYS 19 19.880 8.807 -9.641 171 HD3 LYS 19 HD1 LYS 19 19.847 7.186 -10.339 172 HE2 LYS 19 HE2 LYS 19 19.292 6.266 -8.080 173 HE3 LYS 19 HE1 LYS 19 19.247 7.913 -7.443 174 HZ1 LYS 19 HZ1 LYS 19 17.423 8.403 -8.935 175 HZ2 LYS 19 HZ2 LYS 19 17.051 7.054 -7.985 176 HZ3 LYS 19 HZ3 LYS 19 17.505 6.849 -9.593 177 H VAL 20 HN VAL 20 21.079 11.990 -7.054 178 HA VAL 20 HA VAL 20 23.258 12.602 -5.234 179 HB VAL 20 HB VAL 20 20.474 13.861 -5.186 180 HG11 VAL 20 HG11 VAL 20 23.161 14.943 -4.230 181 HG12 VAL 20 HG12 VAL 20 21.868 14.329 -3.196 182 HG13 VAL 20 HG13 VAL 20 21.614 15.793 -4.147 183 HG21 VAL 20 HG21 VAL 20 21.363 14.052 -7.476 184 HG22 VAL 20 HG22 VAL 20 22.855 14.763 -6.855 185 HG23 VAL 20 HG23 VAL 20 21.326 15.629 -6.682 186 H GLU 21 HN GLU 21 23.528 11.328 -3.492 187 HA GLU 21 HA GLU 21 21.268 9.739 -2.461 188 HB2 GLU 21 HB2 GLU 21 24.281 9.372 -2.092 189 HB3 GLU 21 HB1 GLU 21 23.041 8.279 -1.475 190 HG2 GLU 21 HG2 GLU 21 23.579 8.855 -4.415 191 HG3 GLU 21 HG1 GLU 21 24.152 7.440 -3.527 192 H TYR 22 HN TYR 22 20.593 9.884 -0.412 193 HA TYR 22 HA TYR 22 22.025 11.589 1.551 194 HB2 TYR 22 HB2 TYR 22 19.000 11.384 1.081 195 HB3 TYR 22 HB1 TYR 22 19.745 12.231 2.432 196 HD1 TYR 22 HD2 TYR 22 19.223 12.294 -1.240 197 HD2 TYR 22 HD1 TYR 22 20.720 14.443 2.137 198 HE1 TYR 22 HE2 TYR 22 19.402 14.326 -2.602 199 HE2 TYR 22 HE1 TYR 22 20.896 16.469 0.770 200 HH TYR 22 HH TYR 22 19.490 16.730 -2.337 201 H LEU 23 HN LEU 23 22.804 10.112 3.034 202 HA LEU 23 HA LEU 23 21.514 7.627 3.648 203 HB2 LEU 23 HB2 LEU 23 23.971 8.061 4.029 204 HB3 LEU 23 HB1 LEU 23 23.544 9.149 5.339 205 HG LEU 23 HG LEU 23 22.416 7.172 6.490 206 HD11 LEU 23 HD11 LEU 23 22.099 5.726 4.551 207 HD12 LEU 23 HD12 LEU 23 23.021 4.907 5.808 208 HD13 LEU 23 HD13 LEU 23 23.847 5.538 4.378 209 HD21 LEU 23 HD21 LEU 23 24.501 6.224 7.370 210 HD22 LEU 23 HD22 LEU 23 24.615 7.976 7.215 211 HD23 LEU 23 HD23 LEU 23 25.406 6.934 6.029 212 H VAL 24 HN VAL 24 19.377 8.180 4.061 213 HA VAL 24 HA VAL 24 18.568 10.178 5.924 214 HB VAL 24 HB VAL 24 16.933 7.857 4.796 215 HG11 VAL 24 HG11 VAL 24 15.857 8.836 6.778 216 HG12 VAL 24 HG12 VAL 24 14.943 9.252 5.328 217 HG13 VAL 24 HG13 VAL 24 15.990 10.457 6.086 218 HG21 VAL 24 HG21 VAL 24 17.866 9.231 2.977 219 HG22 VAL 24 HG22 VAL 24 17.205 10.691 3.715 220 HG23 VAL 24 HG23 VAL 24 16.118 9.449 3.090 221 H LYS 25 HN LYS 25 18.986 9.961 8.023 222 HA LYS 25 HA LYS 25 18.986 7.448 9.447 223 HB2 LYS 25 HB2 LYS 25 20.467 9.248 10.203 224 HB3 LYS 25 HB1 LYS 25 19.107 10.347 10.393 225 HG2 LYS 25 HG2 LYS 25 19.882 9.552 12.565 226 HG3 LYS 25 HG1 LYS 25 18.239 8.985 12.249 227 HD2 LYS 25 HD2 LYS 25 19.156 6.756 11.600 228 HD3 LYS 25 HD1 LYS 25 20.789 7.331 11.956 229 HE2 LYS 25 HE2 LYS 25 19.905 5.988 13.815 230 HE3 LYS 25 HE1 LYS 25 20.153 7.658 14.326 231 HZ1 LYS 25 HZ1 LYS 25 17.799 8.064 14.100 232 HZ2 LYS 25 HZ2 LYS 25 18.048 6.734 15.110 233 HZ3 LYS 25 HZ3 LYS 25 17.541 6.492 13.519 234 H TRP 26 HN TRP 26 17.097 6.443 9.723 235 HA TRP 26 HA TRP 26 14.554 7.839 9.780 236 HB2 TRP 26 HB2 TRP 26 15.082 4.854 10.144 237 HB3 TRP 26 HB1 TRP 26 13.555 5.616 9.700 238 HD1 TRP 26 HD1 TRP 26 16.961 4.646 8.226 239 HE1 TRP 26 HE1 TRP 26 16.869 4.805 5.666 240 HE3 TRP 26 HE3 TRP 26 12.312 6.687 7.690 241 HZ2 TRP 26 HZ2 TRP 26 15.105 5.675 3.680 242 HZ3 TRP 26 HZ3 TRP 26 11.489 7.137 5.413 243 HH2 TRP 26 HH2 TRP 26 12.853 6.641 3.447 244 H LYS 27 HN LYS 27 12.987 7.470 11.586 245 HA LYS 27 HA LYS 27 14.273 8.482 13.934 246 HB2 LYS 27 HB2 LYS 27 12.146 9.389 13.114 247 HB3 LYS 27 HB1 LYS 27 11.344 7.846 13.402 248 HG2 LYS 27 HG2 LYS 27 11.621 8.084 15.807 249 HG3 LYS 27 HG1 LYS 27 12.593 9.543 15.593 250 HD2 LYS 27 HD2 LYS 27 9.661 9.260 14.810 251 HD3 LYS 27 HD1 LYS 27 10.244 10.031 16.288 252 HE2 LYS 27 HE2 LYS 27 11.441 11.724 14.923 253 HE3 LYS 27 HE1 LYS 27 10.843 10.954 13.451 254 HZ1 LYS 27 HZ1 LYS 27 9.527 12.871 14.037 255 HZ2 LYS 27 HZ2 LYS 27 9.178 12.216 15.552 256 HZ3 LYS 27 HZ3 LYS 27 8.589 11.465 14.159 257 H GLY 28 HN GLY 28 12.073 5.680 13.538 258 HA2 GLY 28 HA2 GLY 28 12.746 4.633 16.178 259 HA3 GLY 28 HA1 GLY 28 11.558 3.993 15.058 260 H TRP 29 HN TRP 29 14.426 4.540 13.443 261 HA TRP 29 HA TRP 29 15.290 1.723 13.670 262 HB2 TRP 29 HB2 TRP 29 15.415 3.544 11.215 263 HB3 TRP 29 HB1 TRP 29 15.917 1.859 11.281 264 HD1 TRP 29 HD1 TRP 29 12.668 3.990 11.478 265 HE1 TRP 29 HE1 TRP 29 10.705 2.547 10.676 266 HE3 TRP 29 HE3 TRP 29 15.119 -0.462 10.853 267 HZ2 TRP 29 HZ2 TRP 29 10.230 -0.109 9.884 268 HZ3 TRP 29 HZ3 TRP 29 13.837 -2.404 10.053 269 HH2 TRP 29 HH2 TRP 29 11.439 -2.234 9.576 270 HA PRO 30 HA PRO 30 19.222 3.582 14.966 271 HB2 PRO 30 HB2 PRO 30 20.825 1.357 14.763 272 HB3 PRO 30 HB1 PRO 30 19.654 1.578 16.072 273 HG2 PRO 30 HG2 PRO 30 19.386 -0.008 13.524 274 HG3 PRO 30 HG1 PRO 30 18.950 -0.480 15.181 275 HD2 PRO 30 HD2 PRO 30 17.098 0.402 13.401 276 HD3 PRO 30 HD1 PRO 30 16.958 0.742 15.139 277 HA PRO 31 HA PRO 31 21.472 4.811 11.279 278 HB2 PRO 31 HB2 PRO 31 24.168 4.621 11.905 279 HB3 PRO 31 HB1 PRO 31 23.106 5.899 12.513 280 HG2 PRO 31 HG2 PRO 31 23.950 3.334 13.853 281 HG3 PRO 31 HG1 PRO 31 23.889 4.974 14.533 282 HD2 PRO 31 HD2 PRO 31 21.937 3.185 15.036 283 HD3 PRO 31 HD1 PRO 31 21.553 4.904 14.805 284 H LYS 32 HN LYS 32 22.069 1.598 12.435 285 HA LYS 32 HA LYS 32 23.388 0.640 10.029 286 HB2 LYS 32 HB2 LYS 32 23.265 -1.577 11.079 287 HB3 LYS 32 HB1 LYS 32 23.921 -0.371 12.181 288 HG2 LYS 32 HG2 LYS 32 21.574 -0.236 13.217 289 HG3 LYS 32 HG1 LYS 32 21.179 -1.676 12.264 290 HD2 LYS 32 HD2 LYS 32 23.081 -2.880 13.378 291 HD3 LYS 32 HD1 LYS 32 23.386 -1.443 14.359 292 HE2 LYS 32 HE2 LYS 32 22.134 -2.956 15.725 293 HE3 LYS 32 HE1 LYS 32 21.007 -1.688 15.241 294 HZ1 LYS 32 HZ1 LYS 32 20.174 -3.167 13.511 295 HZ2 LYS 32 HZ2 LYS 32 20.006 -3.861 15.038 296 HZ3 LYS 32 HZ3 LYS 32 21.239 -4.379 14.005 297 H TYR 33 HN TYR 33 20.170 1.339 10.801 298 HA TYR 33 HA TYR 33 19.198 -0.199 8.457 299 HB2 TYR 33 HB2 TYR 33 17.752 0.725 10.971 300 HB3 TYR 33 HB1 TYR 33 16.856 0.373 9.499 301 HD1 TYR 33 HD1 TYR 33 16.760 -1.937 8.603 302 HD2 TYR 33 HD2 TYR 33 18.696 -1.113 12.313 303 HE1 TYR 33 HE1 TYR 33 16.696 -4.323 9.162 304 HE2 TYR 33 HE2 TYR 33 18.632 -3.502 12.877 305 HH TYR 33 HH TYR 33 17.885 -5.915 10.599 306 H SER 34 HN SER 34 20.525 2.633 8.972 307 HA SER 34 HA SER 34 18.637 4.402 7.645 308 HB2 SER 34 HB2 SER 34 21.584 4.768 8.338 309 HB3 SER 34 HB1 SER 34 20.516 6.034 7.714 310 HG SER 34 HG SER 34 19.712 4.608 9.986 311 H THR 35 HN THR 35 18.627 4.883 5.465 312 HA THR 35 HA THR 35 20.294 3.180 3.689 313 HB THR 35 HB THR 35 18.263 3.265 2.115 314 HG1 THR 35 HG1 THR 35 16.702 4.552 2.710 315 HG21 THR 35 HG21 THR 35 16.984 1.511 3.297 316 HG22 THR 35 HG22 THR 35 17.801 1.925 4.805 317 HG23 THR 35 HG23 THR 35 18.723 1.240 3.465 318 H TRP 36 HN TRP 36 21.217 4.152 1.893 319 HA TRP 36 HA TRP 36 21.253 6.997 1.556 320 HB2 TRP 36 HB2 TRP 36 22.224 4.766 -0.290 321 HB3 TRP 36 HB1 TRP 36 22.504 6.481 -0.575 322 HD1 TRP 36 HD1 TRP 36 23.774 3.553 1.518 323 HE1 TRP 36 HE1 TRP 36 25.900 4.279 2.764 324 HE3 TRP 36 HE3 TRP 36 23.629 8.586 0.546 325 HZ2 TRP 36 HZ2 TRP 36 27.322 6.643 3.285 326 HZ3 TRP 36 HZ3 TRP 36 25.418 10.012 1.467 327 HH2 TRP 36 HH2 TRP 36 27.224 9.055 2.810 328 H GLU 37 HN GLU 37 19.062 7.468 1.452 329 HA GLU 37 HA GLU 37 17.501 6.570 -0.861 330 HB2 GLU 37 HB2 GLU 37 16.704 6.440 1.641 331 HB3 GLU 37 HB1 GLU 37 16.428 8.164 1.479 332 HG2 GLU 37 HG2 GLU 37 14.382 6.855 1.116 333 HG3 GLU 37 HG1 GLU 37 14.837 7.794 -0.316 334 HA PRO 38 HA PRO 38 18.857 10.591 -2.490 335 HB2 PRO 38 HB2 PRO 38 17.687 10.354 -4.990 336 HB3 PRO 38 HB1 PRO 38 19.226 9.605 -4.540 337 HG2 PRO 38 HG2 PRO 38 16.476 8.386 -4.627 338 HG3 PRO 38 HG1 PRO 38 18.018 7.706 -5.190 339 HD2 PRO 38 HD2 PRO 38 16.912 6.986 -2.820 340 HD3 PRO 38 HD1 PRO 38 18.674 7.082 -3.023 341 H GLU 39 HN GLU 39 17.939 12.559 -3.180 342 HA GLU 39 HA GLU 39 15.615 13.547 -2.029 343 HB2 GLU 39 HB2 GLU 39 15.902 15.476 -3.673 344 HB3 GLU 39 HB1 GLU 39 17.330 15.056 -2.731 345 HG2 GLU 39 HG2 GLU 39 18.229 13.786 -4.657 346 HG3 GLU 39 HG1 GLU 39 16.805 14.224 -5.604 347 H GLU 40 HN GLU 40 16.004 11.870 -5.028 348 HA GLU 40 HA GLU 40 13.717 12.429 -6.488 349 HB2 GLU 40 HB2 GLU 40 15.722 11.117 -7.217 350 HB3 GLU 40 HB1 GLU 40 15.196 9.773 -6.213 351 HG2 GLU 40 HG2 GLU 40 13.161 9.567 -7.623 352 HG3 GLU 40 HG1 GLU 40 13.757 10.874 -8.647 353 H HIS 41 HN HIS 41 14.105 10.438 -3.613 354 HA HIS 41 HA HIS 41 11.333 9.396 -3.795 355 HB2 HIS 41 HB2 HIS 41 13.685 8.142 -2.313 356 HB3 HIS 41 HB1 HIS 41 12.078 7.441 -2.520 357 HD1 HIS 41 HD1 HIS 41 15.212 6.759 -3.697 358 HD2 HIS 41 HD2 HIS 41 11.653 7.590 -5.676 359 HE1 HIS 41 HE1 HIS 41 15.532 5.916 -6.050 360 HE2 HIS 41 HE2 HIS 41 13.442 6.596 -7.258 361 H ILE 42 HN ILE 42 13.389 11.453 -1.965 362 HA ILE 42 HA ILE 42 12.029 11.426 0.555 363 HB ILE 42 HB ILE 42 13.332 13.820 -0.842 364 HG12 ILE 42 HG12 ILE 42 14.980 12.016 -0.687 365 HG13 ILE 42 HG11 ILE 42 15.398 13.301 0.432 366 HG21 ILE 42 HG21 ILE 42 11.918 14.504 1.029 367 HG22 ILE 42 HG22 ILE 42 13.617 14.763 1.419 368 HG23 ILE 42 HG23 ILE 42 12.753 13.385 2.111 369 HD11 ILE 42 HD11 ILE 42 14.125 10.666 1.145 370 HD12 ILE 42 HD12 ILE 42 14.541 11.952 2.281 371 HD13 ILE 42 HD13 ILE 42 15.811 11.127 1.380 372 H LEU 43 HN LEU 43 10.040 12.600 1.206 373 HA LEU 43 HA LEU 43 8.646 13.935 -1.069 374 HB2 LEU 43 HB2 LEU 43 6.484 13.275 -0.140 375 HB3 LEU 43 HB1 LEU 43 7.489 11.907 -0.563 376 HG LEU 43 HG LEU 43 8.002 11.681 1.959 377 HD11 LEU 43 HD11 LEU 43 7.264 13.845 2.775 378 HD12 LEU 43 HD12 LEU 43 6.307 12.566 3.513 379 HD13 LEU 43 HD13 LEU 43 5.619 13.535 2.211 380 HD21 LEU 43 HD21 LEU 43 5.942 10.426 2.396 381 HD22 LEU 43 HD22 LEU 43 6.525 10.140 0.760 382 HD23 LEU 43 HD23 LEU 43 5.153 11.216 1.026 383 H ASP 44 HN ASP 44 9.981 14.494 1.997 384 HA ASP 44 HA ASP 44 8.540 17.062 2.265 385 HB2 ASP 44 HB2 ASP 44 10.189 15.428 4.207 386 HB3 ASP 44 HB1 ASP 44 10.048 17.163 4.459 387 HA PRO 45 HA PRO 45 12.206 19.073 0.336 388 HB2 PRO 45 HB2 PRO 45 11.121 21.628 0.755 389 HB3 PRO 45 HB1 PRO 45 10.859 20.657 -0.698 390 HG2 PRO 45 HG2 PRO 45 9.092 20.954 1.727 391 HG3 PRO 45 HG1 PRO 45 8.639 20.932 0.008 392 HD2 PRO 45 HD2 PRO 45 8.293 18.758 1.525 393 HD3 PRO 45 HD1 PRO 45 8.874 18.589 -0.152 394 H ARG 46 HN ARG 46 10.441 19.856 3.300 395 HA ARG 46 HA ARG 46 12.421 21.323 4.655 396 HB2 ARG 46 HB2 ARG 46 10.018 19.750 5.637 397 HB3 ARG 46 HB1 ARG 46 11.073 20.617 6.748 398 HG2 ARG 46 HG2 ARG 46 9.478 21.867 4.485 399 HG3 ARG 46 HG1 ARG 46 9.081 21.934 6.206 400 HD2 ARG 46 HD2 ARG 46 11.470 23.181 4.811 401 HD3 ARG 46 HD1 ARG 46 10.129 24.025 5.589 402 HE ARG 46 HE ARG 46 11.063 22.754 7.689 403 HH11 ARG 46 HH11 ARG 46 12.935 24.391 5.208 404 HH12 ARG 46 HH12 ARG 46 14.286 24.670 6.257 405 HH21 ARG 46 HH21 ARG 46 12.861 23.121 9.035 406 HH22 ARG 46 HH22 ARG 46 14.242 23.966 8.412 407 H LEU 47 HN LEU 47 12.153 17.853 4.206 408 HA LEU 47 HA LEU 47 13.700 17.037 6.458 409 HB2 LEU 47 HB2 LEU 47 12.327 15.405 5.317 410 HB3 LEU 47 HB1 LEU 47 13.148 15.680 3.792 411 HG LEU 47 HG LEU 47 15.163 14.562 4.586 412 HD11 LEU 47 HD11 LEU 47 15.330 13.504 6.804 413 HD12 LEU 47 HD12 LEU 47 13.818 14.279 7.284 414 HD13 LEU 47 HD13 LEU 47 15.233 15.262 6.902 415 HD21 LEU 47 HD21 LEU 47 14.326 12.268 4.895 416 HD22 LEU 47 HD22 LEU 47 13.414 13.117 3.652 417 HD23 LEU 47 HD23 LEU 47 12.715 12.892 5.256 418 H VAL 48 HN VAL 48 14.617 17.555 3.029 419 HA VAL 48 HA VAL 48 17.435 17.200 3.493 420 HB VAL 48 HB VAL 48 15.987 18.386 1.078 421 HG11 VAL 48 HG11 VAL 48 18.334 19.145 1.109 422 HG12 VAL 48 HG12 VAL 48 18.099 17.964 -0.180 423 HG13 VAL 48 HG13 VAL 48 18.891 17.481 1.321 424 HG21 VAL 48 HG21 VAL 48 15.357 16.035 1.525 425 HG22 VAL 48 HG22 VAL 48 17.060 15.568 1.549 426 HG23 VAL 48 HG23 VAL 48 16.324 16.146 0.051 427 H MET 49 HN MET 49 15.252 19.971 3.211 428 HA MET 49 HA MET 49 17.107 22.085 3.277 429 HB2 MET 49 HB2 MET 49 14.193 21.913 4.132 430 HB3 MET 49 HB1 MET 49 15.109 23.411 4.295 431 HG2 MET 49 HG2 MET 49 15.435 23.529 1.899 432 HG3 MET 49 HG1 MET 49 14.683 21.942 1.685 433 HE1 MET 49 HE1 MET 49 11.954 24.387 0.195 434 HE2 MET 49 HE2 MET 49 12.992 22.997 -0.137 435 HE3 MET 49 HE3 MET 49 13.695 24.603 0.085 436 H ALA 50 HN ALA 50 15.621 20.221 5.916 437 HA ALA 50 HA ALA 50 16.540 21.766 8.121 438 HB1 ALA 50 HB1 ALA 50 14.732 20.102 8.365 439 HB2 ALA 50 HB2 ALA 50 16.036 19.779 9.508 440 HB3 ALA 50 HB3 ALA 50 15.873 18.796 8.047 441 H TYR 51 HN TYR 51 17.971 19.171 6.234 442 HA TYR 51 HA TYR 51 20.312 18.738 7.810 443 HB2 TYR 51 HB2 TYR 51 19.604 17.018 6.255 444 HB3 TYR 51 HB1 TYR 51 19.629 18.141 4.901 445 HD1 TYR 51 HD2 TYR 51 21.737 16.145 7.195 446 HD2 TYR 51 HD1 TYR 51 21.710 18.665 3.765 447 HE1 TYR 51 HE2 TYR 51 24.057 15.525 6.722 448 HE2 TYR 51 HE1 TYR 51 24.024 18.079 3.295 449 HH TYR 51 HH TYR 51 25.963 17.246 4.426 450 H GLU 52 HN GLU 52 19.536 20.864 5.048 451 HA GLU 52 HA GLU 52 22.167 21.817 4.547 452 HB2 GLU 52 HB2 GLU 52 19.540 23.264 3.958 453 HB3 GLU 52 HB1 GLU 52 21.113 23.605 3.234 454 HG2 GLU 52 HG2 GLU 52 19.539 21.041 2.870 455 HG3 GLU 52 HG1 GLU 52 19.599 22.369 1.718 456 H GLU 53 HN GLU 53 19.577 22.966 6.672 457 HA GLU 53 HA GLU 53 21.103 25.328 7.542 458 HB2 GLU 53 HB2 GLU 53 19.031 26.000 8.683 459 HB3 GLU 53 HB1 GLU 53 18.693 25.573 7.008 460 HG2 GLU 53 HG2 GLU 53 17.938 23.301 7.835 461 HG3 GLU 53 HG1 GLU 53 18.102 23.914 9.479 462 H LYS 54 HN LYS 54 21.423 22.255 8.317 463 HA LYS 54 HA LYS 54 20.997 21.885 11.048 464 HB2 LYS 54 HB2 LYS 54 21.475 20.009 9.657 465 HB3 LYS 54 HB1 LYS 54 22.984 20.702 9.091 466 HG2 LYS 54 HG2 LYS 54 24.069 20.252 11.190 467 HG3 LYS 54 HG1 LYS 54 22.544 19.779 11.941 468 HD2 LYS 54 HD2 LYS 54 24.099 17.862 11.246 469 HD3 LYS 54 HD1 LYS 54 22.430 17.746 10.691 470 HE2 LYS 54 HE2 LYS 54 24.053 17.112 8.931 471 HE3 LYS 54 HE1 LYS 54 23.074 18.496 8.457 472 HZ1 LYS 54 HZ1 LYS 54 25.888 18.534 9.382 473 HZ2 LYS 54 HZ2 LYS 54 24.972 19.923 9.088 474 HZ3 LYS 54 HZ3 LYS 54 25.332 18.850 7.830 475 H GLU 55 HN GLU 55 21.803 22.838 12.759 476 HA GLU 55 HA GLU 55 23.925 24.769 12.676 477 HB2 GLU 55 HB2 GLU 55 22.311 23.659 15.019 478 HB3 GLU 55 HB1 GLU 55 23.394 25.043 15.117 479 HG2 GLU 55 HG2 GLU 55 20.903 24.924 13.371 480 HG3 GLU 55 HG1 GLU 55 20.960 25.627 14.988 481 H GLU 56 HN GLU 56 25.816 23.476 12.114 482 HA GLU 56 HA GLU 56 26.982 22.084 14.475 483 HB2 GLU 56 HB2 GLU 56 27.591 21.600 11.524 484 HB3 GLU 56 HB1 GLU 56 28.476 20.867 12.863 485 HG2 GLU 56 HG2 GLU 56 26.338 19.796 13.601 486 HG3 GLU 56 HG1 GLU 56 25.560 20.437 12.153 487 H1 ALA 1 HT1 ALA 1 4.225 23.188 8.651 488 H2 ALA 1 HT2 ALA 1 3.075 21.990 8.944 489 H3 ALA 1 HT3 ALA 1 2.819 23.561 9.507 490 HA ALA 1 HA ALA 1 1.478 23.086 7.563 491 HB1 ALA 1 HB1 ALA 1 2.096 25.095 6.252 492 HB2 ALA 1 HB2 ALA 1 3.664 25.147 7.062 493 HB3 ALA 1 HB3 ALA 1 2.184 25.417 7.986 494 H ARG 2 HN ARG 2 1.614 21.190 6.469 495 HA ARG 2 HA ARG 2 2.233 19.528 5.049 496 HB2 ARG 2 HB2 ARG 2 3.725 21.740 3.569 497 HB3 ARG 2 HB1 ARG 2 3.308 20.164 2.898 498 HG2 ARG 2 HG2 ARG 2 0.924 20.714 2.998 499 HG3 ARG 2 HG1 ARG 2 1.284 22.242 3.810 500 HD2 ARG 2 HD2 ARG 2 2.088 21.486 0.976 501 HD3 ARG 2 HD1 ARG 2 0.815 22.621 1.436 502 HE ARG 2 HE ARG 2 3.482 23.240 2.424 503 HH11 ARG 2 HH11 ARG 2 1.121 23.900 -0.091 504 HH12 ARG 2 HH12 ARG 2 1.932 25.333 -0.626 505 HH21 ARG 2 HH21 ARG 2 4.509 25.111 1.720 506 HH22 ARG 2 HH22 ARG 2 3.857 26.003 0.388 507 H THR 3 HN THR 3 3.889 20.098 7.370 508 HA THR 3 HA THR 3 6.612 19.235 6.601 509 HB THR 3 HB THR 3 7.223 20.053 8.949 510 HG1 THR 3 HG1 THR 3 5.084 20.053 9.826 511 HG21 THR 3 HG21 THR 3 6.043 22.150 7.090 512 HG22 THR 3 HG22 THR 3 7.670 21.476 6.979 513 HG23 THR 3 HG23 THR 3 7.216 22.455 8.375 514 H LYS 4 HN LYS 4 5.851 17.056 6.344 515 HA LYS 4 HA LYS 4 4.645 15.605 8.557 516 HB2 LYS 4 HB2 LYS 4 5.576 14.653 5.804 517 HB3 LYS 4 HB1 LYS 4 4.834 13.604 7.001 518 HG2 LYS 4 HG2 LYS 4 3.122 14.140 5.450 519 HG3 LYS 4 HG1 LYS 4 2.775 15.075 6.903 520 HD2 LYS 4 HD2 LYS 4 2.392 16.405 4.869 521 HD3 LYS 4 HD1 LYS 4 3.690 17.101 5.838 522 HE2 LYS 4 HE2 LYS 4 4.241 17.160 3.444 523 HE3 LYS 4 HE1 LYS 4 5.364 16.112 4.309 524 HZ1 LYS 4 HZ1 LYS 4 4.664 15.107 2.251 525 HZ2 LYS 4 HZ2 LYS 4 3.037 15.223 2.698 526 HZ3 LYS 4 HZ3 LYS 4 4.081 14.208 3.553 527 H GLN 5 HN GLN 5 7.774 16.050 7.109 528 HA GLN 5 HA GLN 5 9.867 15.320 7.447 529 HB2 GLN 5 HB2 GLN 5 9.414 16.207 9.760 530 HB3 GLN 5 HB1 GLN 5 8.912 14.601 10.259 531 HG2 GLN 5 HG2 GLN 5 11.135 14.990 11.065 532 HG3 GLN 5 HG1 GLN 5 11.212 13.775 9.798 533 HE21 GLN 5 HE21 GLN 5 13.348 15.422 10.820 534 HE22 GLN 5 HE22 GLN 5 13.963 16.344 9.496 535 H THR 6 HN THR 6 9.257 13.724 5.800 536 HA THR 6 HA THR 6 9.383 10.919 6.621 537 HB THR 6 HB THR 6 6.993 11.957 5.028 538 HG1 THR 6 HG1 THR 6 6.922 12.500 7.285 539 HG21 THR 6 HG21 THR 6 7.592 9.189 6.127 540 HG22 THR 6 HG22 THR 6 7.588 9.650 4.421 541 HG23 THR 6 HG23 THR 6 6.083 9.672 5.346 542 H ALA 7 HN ALA 7 10.109 9.561 5.026 543 HA ALA 7 HA ALA 7 10.548 10.564 2.278 544 HB1 ALA 7 HB1 ALA 7 12.744 9.436 2.231 545 HB2 ALA 7 HB2 ALA 7 12.557 8.989 3.931 546 HB3 ALA 7 HB3 ALA 7 12.695 10.687 3.475 547 H ARG 8 HN ARG 8 10.424 8.975 0.686 548 HA ARG 8 HA ARG 8 9.031 6.466 1.341 549 HB2 ARG 8 HB2 ARG 8 9.629 7.811 -1.336 550 HB3 ARG 8 HB1 ARG 8 8.696 6.327 -1.146 551 HG2 ARG 8 HG2 ARG 8 6.862 7.452 -0.190 552 HG3 ARG 8 HG1 ARG 8 7.821 8.871 0.237 553 HD2 ARG 8 HD2 ARG 8 7.150 8.054 -2.614 554 HD3 ARG 8 HD1 ARG 8 6.252 9.252 -1.674 555 HE ARG 8 HE ARG 8 8.899 10.049 -1.594 556 HH11 ARG 8 HH11 ARG 8 6.504 9.624 -4.123 557 HH12 ARG 8 HH12 ARG 8 7.192 10.846 -5.141 558 HH21 ARG 8 HH21 ARG 8 9.791 11.635 -2.942 559 HH22 ARG 8 HH22 ARG 8 9.060 11.963 -4.476 560 H M3L 9 HN M3L 9 10.172 4.596 1.419 561 HA M3L 9 HA M3L 9 12.935 4.455 0.609 562 HB2 M3L 9 HB2 M3L 9 11.050 2.319 1.686 563 HB3 M3L 9 HB1 M3L 9 12.757 2.046 1.320 564 HG2 M3L 9 HG2 M3L 9 13.283 3.899 2.991 565 HG3 M3L 9 HG1 M3L 9 11.578 3.832 3.471 566 HD2 M3L 9 HD2 M3L 9 11.834 1.472 4.127 567 HD3 M3L 9 HD1 M3L 9 13.505 1.467 3.547 568 HE2 M3L 9 HE2 M3L 9 14.013 3.264 5.258 569 HE3 M3L 9 HE1 M3L 9 12.379 3.055 5.889 570 HM11 M3L 9 HH33 M3L 9 11.751 0.941 7.089 571 HM12 M3L 9 HH31 M3L 9 12.927 -0.366 7.258 572 HM13 M3L 9 HH32 M3L 9 12.217 -0.016 5.681 573 HM21 M3L 9 HH11 M3L 9 15.024 2.702 7.432 574 HM22 M3L 9 HH12 M3L 9 14.566 1.226 8.284 575 HM23 M3L 9 HH13 M3L 9 13.405 2.546 8.121 576 HM31 M3L 9 HH21 M3L 9 15.251 -0.108 6.279 577 HM32 M3L 9 HH22 M3L 9 15.677 1.373 5.416 578 HM33 M3L 9 HH23 M3L 9 14.538 0.231 4.698 579 H SER 10 HN SER 10 13.431 4.233 -1.493 580 HA SER 10 HA SER 10 11.829 3.011 -3.494 581 HB2 SER 10 HB2 SER 10 13.698 4.593 -3.985 582 HB3 SER 10 HB1 SER 10 14.856 3.374 -3.467 583 HG SER 10 HG SER 10 13.038 2.583 -5.419 584 H THR 11 HN THR 11 14.082 1.806 -1.135 585 HA THR 11 HA THR 11 14.954 -0.179 -0.559 586 HB THR 11 HB THR 11 13.374 -2.194 -0.704 587 HG1 THR 11 HG1 THR 11 11.478 -0.267 -1.571 588 HG21 THR 11 HG21 THR 11 11.804 -1.340 0.994 589 HG22 THR 11 HG22 THR 11 12.257 0.313 0.587 590 HG23 THR 11 HG23 THR 11 13.448 -0.766 1.317 591 H GLY 12 HN GLY 12 16.065 0.649 -2.795 592 HA2 GLY 12 HA2 GLY 12 16.054 -1.134 -5.018 593 HA3 GLY 12 HA1 GLY 12 17.271 0.077 -4.645 594 H GLY 13 HN GLY 13 16.321 -3.273 -4.233 595 HA2 GLY 13 HA2 GLY 13 18.365 -4.198 -2.528 596 HA3 GLY 13 HA1 GLY 13 17.455 -5.183 -3.668 597 H LYS 14 HN LYS 14 18.187 -4.087 -6.088 598 HA LYS 14 HA LYS 14 20.986 -4.853 -6.412 599 HB2 LYS 14 HB2 LYS 14 19.277 -5.595 -8.076 600 HB3 LYS 14 HB1 LYS 14 18.939 -3.916 -8.477 601 HG2 LYS 14 HG2 LYS 14 21.343 -3.695 -9.246 602 HG3 LYS 14 HG1 LYS 14 21.530 -5.429 -8.971 603 HD2 LYS 14 HD2 LYS 14 21.108 -5.037 -11.336 604 HD3 LYS 14 HD1 LYS 14 19.719 -5.866 -10.629 605 HE2 LYS 14 HE2 LYS 14 18.519 -3.689 -10.488 606 HE3 LYS 14 HE1 LYS 14 19.901 -2.888 -11.239 607 HZ1 LYS 14 HZ1 LYS 14 19.558 -4.155 -13.215 608 HZ2 LYS 14 HZ2 LYS 14 18.091 -3.437 -12.791 609 HZ3 LYS 14 HZ3 LYS 14 18.349 -5.079 -12.494 610 H ALA 15 HN ALA 15 22.352 -3.263 -5.672 611 HA ALA 15 HA ALA 15 22.474 -0.720 -7.068 612 HB1 ALA 15 HB1 ALA 15 20.882 -0.181 -5.252 613 HB2 ALA 15 HB2 ALA 15 22.405 0.685 -5.026 614 HB3 ALA 15 HB3 ALA 15 22.042 -0.743 -4.050 Start of MODEL 12 1 H1 GLY 1 HT1 GLY 1 5.020 1.224 -5.104 2 H2 GLY 1 HT2 GLY 1 4.512 -0.378 -5.248 3 H3 GLY 1 HT3 GLY 1 6.085 -0.031 -4.726 4 HA2 GLY 1 HA1 GLY 1 3.590 0.618 -3.266 5 HA3 GLY 1 HA2 GLY 1 4.701 -0.686 -2.870 6 H GLU 2 HN GLU 2 4.189 2.790 -2.827 7 HA GLU 2 HA GLU 2 6.807 3.600 -2.042 8 HB2 GLU 2 HB2 GLU 2 4.106 5.000 -1.782 9 HB3 GLU 2 HB1 GLU 2 5.647 5.762 -1.394 10 HG2 GLU 2 HG2 GLU 2 6.385 5.433 -3.750 11 HG3 GLU 2 HG1 GLU 2 4.808 4.726 -4.123 12 H GLN 3 HN GLN 3 7.509 2.342 -0.367 13 HA GLN 3 HA GLN 3 6.073 2.004 2.119 14 HB2 GLN 3 HB2 GLN 3 7.608 0.248 1.134 15 HB3 GLN 3 HB1 GLN 3 8.970 1.318 1.453 16 HG2 GLN 3 HG2 GLN 3 8.464 1.201 3.882 17 HG3 GLN 3 HG1 GLN 3 7.138 0.087 3.535 18 HE21 GLN 3 HE21 GLN 3 8.053 -1.560 4.787 19 HE22 GLN 3 HE22 GLN 3 9.463 -2.431 4.292 20 H VAL 4 HN VAL 4 5.750 4.169 2.760 21 HA VAL 4 HA VAL 4 7.989 5.945 3.284 22 HB VAL 4 HB VAL 4 6.304 7.558 4.122 23 HG11 VAL 4 HG11 VAL 4 6.819 7.564 1.737 24 HG12 VAL 4 HG12 VAL 4 5.119 7.965 1.987 25 HG13 VAL 4 HG13 VAL 4 5.572 6.351 1.428 26 HG21 VAL 4 HG21 VAL 4 3.874 7.083 3.993 27 HG22 VAL 4 HG22 VAL 4 4.676 6.004 5.133 28 HG23 VAL 4 HG23 VAL 4 4.218 5.410 3.536 29 H PHE 5 HN PHE 5 8.809 6.512 5.254 30 HA PHE 5 HA PHE 5 7.608 5.508 7.746 31 HB2 PHE 5 HB2 PHE 5 10.424 4.907 6.777 32 HB3 PHE 5 HB1 PHE 5 10.154 5.125 8.498 33 HD1 PHE 5 HD1 PHE 5 9.199 3.006 5.569 34 HD2 PHE 5 HD2 PHE 5 9.216 3.375 9.828 35 HE1 PHE 5 HE1 PHE 5 8.545 0.648 5.788 36 HE2 PHE 5 HE2 PHE 5 8.557 1.016 10.027 37 HZ PHE 5 HZ PHE 5 8.222 -0.348 8.009 38 H ALA 6 HN ALA 6 8.069 6.755 9.553 39 HA ALA 6 HA ALA 6 8.452 9.543 9.228 40 HB1 ALA 6 HB1 ALA 6 7.118 8.598 11.073 41 HB2 ALA 6 HB2 ALA 6 8.404 9.632 11.698 42 HB3 ALA 6 HB3 ALA 6 8.569 7.875 11.772 43 H VAL 7 HN VAL 7 10.277 10.776 9.330 44 HA VAL 7 HA VAL 7 12.866 9.409 9.819 45 HB VAL 7 HB VAL 7 13.887 10.910 8.150 46 HG11 VAL 7 HG11 VAL 7 13.052 8.733 7.367 47 HG12 VAL 7 HG12 VAL 7 12.883 9.951 6.103 48 HG13 VAL 7 HG13 VAL 7 11.467 9.437 7.027 49 HG21 VAL 7 HG21 VAL 7 12.421 12.856 8.382 50 HG22 VAL 7 HG22 VAL 7 11.073 11.956 7.685 51 HG23 VAL 7 HG23 VAL 7 12.481 12.342 6.697 52 H GLU 8 HN GLU 8 14.555 10.620 10.689 53 HA GLU 8 HA GLU 8 13.865 12.653 12.660 54 HB2 GLU 8 HB2 GLU 8 15.384 10.770 13.212 55 HB3 GLU 8 HB1 GLU 8 16.483 11.253 11.927 56 HG2 GLU 8 HG2 GLU 8 16.757 13.460 13.221 57 HG3 GLU 8 HG1 GLU 8 15.933 12.654 14.556 58 H SER 9 HN SER 9 16.279 12.213 10.129 59 HA SER 9 HA SER 9 15.930 14.558 8.637 60 HB2 SER 9 HB2 SER 9 18.221 14.630 10.658 61 HB3 SER 9 HB1 SER 9 18.230 15.617 9.194 62 HG SER 9 HG SER 9 15.900 16.025 10.345 63 H ILE 10 HN ILE 10 18.081 14.802 7.182 64 HA ILE 10 HA ILE 10 18.931 12.188 6.272 65 HB ILE 10 HB ILE 10 20.028 14.930 5.494 66 HG12 ILE 10 HG12 ILE 10 17.646 14.804 4.965 67 HG13 ILE 10 HG11 ILE 10 18.584 14.776 3.484 68 HG21 ILE 10 HG21 ILE 10 20.889 13.802 3.469 69 HG22 ILE 10 HG22 ILE 10 20.315 12.249 4.088 70 HG23 ILE 10 HG23 ILE 10 21.589 13.125 4.942 71 HD11 ILE 10 HD11 ILE 10 17.231 12.410 4.798 72 HD12 ILE 10 HD12 ILE 10 18.254 12.317 3.361 73 HD13 ILE 10 HD13 ILE 10 16.747 13.230 3.313 74 H ARG 11 HN ARG 11 20.538 11.075 7.144 75 HA ARG 11 HA ARG 11 22.245 12.014 9.222 76 HB2 ARG 11 HB2 ARG 11 21.415 9.495 8.321 77 HB3 ARG 11 HB1 ARG 11 23.095 9.512 7.815 78 HG2 ARG 11 HG2 ARG 11 22.046 9.860 10.653 79 HG3 ARG 11 HG1 ARG 11 22.864 8.438 9.997 80 HD2 ARG 11 HD2 ARG 11 24.940 9.626 9.821 81 HD3 ARG 11 HD1 ARG 11 24.167 11.176 10.157 82 HE ARG 11 HE ARG 11 24.377 8.999 12.154 83 HH11 ARG 11 HH11 ARG 11 24.536 12.423 11.376 84 HH12 ARG 11 HH12 ARG 11 24.985 12.884 12.994 85 HH21 ARG 11 HH21 ARG 11 24.966 9.629 14.265 86 HH22 ARG 11 HH22 ARG 11 25.246 11.308 14.608 87 H LYS 12 HN LYS 12 23.011 10.849 5.906 88 HA LYS 12 HA LYS 12 25.172 12.855 5.643 89 HB2 LYS 12 HB2 LYS 12 25.403 9.888 4.965 90 HB3 LYS 12 HB1 LYS 12 26.538 11.110 4.401 91 HG2 LYS 12 HG2 LYS 12 27.138 11.609 6.765 92 HG3 LYS 12 HG1 LYS 12 26.053 10.310 7.292 93 HD2 LYS 12 HD2 LYS 12 27.395 8.646 6.102 94 HD3 LYS 12 HD1 LYS 12 28.417 9.910 5.402 95 HE2 LYS 12 HE2 LYS 12 28.215 9.224 8.357 96 HE3 LYS 12 HE1 LYS 12 29.534 8.767 7.279 97 HZ1 LYS 12 HZ1 LYS 12 28.765 11.534 8.042 98 HZ2 LYS 12 HZ2 LYS 12 29.977 11.148 6.935 99 HZ3 LYS 12 HZ3 LYS 12 30.140 10.692 8.555 100 H LYS 13 HN LYS 13 25.752 13.289 3.381 101 HA LYS 13 HA LYS 13 23.783 12.571 1.333 102 HB2 LYS 13 HB2 LYS 13 22.754 14.547 2.393 103 HB3 LYS 13 HB1 LYS 13 24.257 15.448 2.240 104 HG2 LYS 13 HG2 LYS 13 24.003 15.238 -0.288 105 HG3 LYS 13 HG1 LYS 13 22.386 14.583 0.008 106 HD2 LYS 13 HD2 LYS 13 21.693 16.670 1.088 107 HD3 LYS 13 HD1 LYS 13 23.336 17.311 0.983 108 HE2 LYS 13 HE2 LYS 13 21.541 16.667 -1.387 109 HE3 LYS 13 HE1 LYS 13 21.858 18.280 -0.746 110 HZ1 LYS 13 HZ1 LYS 13 23.867 16.453 -1.964 111 HZ2 LYS 13 HZ2 LYS 13 24.214 17.965 -1.294 112 HZ3 LYS 13 HZ3 LYS 13 23.227 17.854 -2.665 113 H ARG 14 HN ARG 14 24.588 12.722 -0.712 114 HA ARG 14 HA ARG 14 26.995 14.058 -1.499 115 HB2 ARG 14 HB2 ARG 14 28.397 12.070 -1.962 116 HB3 ARG 14 HB1 ARG 14 28.044 12.201 -0.238 117 HG2 ARG 14 HG2 ARG 14 26.214 10.499 -0.556 118 HG3 ARG 14 HG1 ARG 14 26.770 10.286 -2.222 119 HD2 ARG 14 HD2 ARG 14 28.450 9.826 0.274 120 HD3 ARG 14 HD1 ARG 14 27.660 8.556 -0.670 121 HE ARG 14 HE ARG 14 29.625 10.325 -1.983 122 HH11 ARG 14 HH11 ARG 14 28.810 7.097 -0.865 123 HH12 ARG 14 HH12 ARG 14 30.170 6.359 -1.643 124 HH21 ARG 14 HH21 ARG 14 31.403 9.342 -2.993 125 HH22 ARG 14 HH22 ARG 14 31.641 7.631 -2.855 126 H VAL 15 HN VAL 15 27.668 12.800 -3.815 127 HA VAL 15 HA VAL 15 25.188 12.021 -5.208 128 HB VAL 15 HB VAL 15 25.424 14.366 -5.756 129 HG11 VAL 15 HG11 VAL 15 27.802 14.718 -5.253 130 HG12 VAL 15 HG12 VAL 15 27.407 15.345 -6.855 131 HG13 VAL 15 HG13 VAL 15 28.263 13.807 -6.696 132 HG21 VAL 15 HG21 VAL 15 26.318 12.684 -8.138 133 HG22 VAL 15 HG22 VAL 15 25.560 14.275 -8.230 134 HG23 VAL 15 HG23 VAL 15 24.653 12.903 -7.591 135 H ARG 16 HN ARG 16 25.463 10.099 -6.033 136 HA ARG 16 HA ARG 16 28.081 9.147 -6.988 137 HB2 ARG 16 HB2 ARG 16 27.023 7.649 -5.367 138 HB3 ARG 16 HB1 ARG 16 25.517 7.654 -6.265 139 HG2 ARG 16 HG2 ARG 16 26.622 5.542 -6.630 140 HG3 ARG 16 HG1 ARG 16 26.653 6.458 -8.137 141 HD2 ARG 16 HD2 ARG 16 28.806 5.408 -7.857 142 HD3 ARG 16 HD1 ARG 16 29.012 7.144 -7.606 143 HE ARG 16 HE ARG 16 28.544 5.863 -5.129 144 HH11 ARG 16 HH11 ARG 16 31.093 6.273 -7.517 145 HH12 ARG 16 HH12 ARG 16 32.361 5.951 -6.381 146 HH21 ARG 16 HH21 ARG 16 30.219 5.402 -3.676 147 HH22 ARG 16 HH22 ARG 16 31.865 5.468 -4.219 148 H LYS 17 HN LYS 17 28.156 10.181 -8.975 149 HA LYS 17 HA LYS 17 28.025 10.299 -11.217 150 HB2 LYS 17 HB2 LYS 17 26.794 7.531 -10.930 151 HB3 LYS 17 HB1 LYS 17 27.456 8.203 -12.424 152 HG2 LYS 17 HG2 LYS 17 29.689 8.369 -11.322 153 HG3 LYS 17 HG1 LYS 17 29.008 7.636 -9.869 154 HD2 LYS 17 HD2 LYS 17 30.230 5.958 -11.177 155 HD3 LYS 17 HD1 LYS 17 28.509 5.568 -11.142 156 HE2 LYS 17 HE2 LYS 17 29.501 5.234 -13.392 157 HE3 LYS 17 HE1 LYS 17 28.231 6.456 -13.408 158 HZ1 LYS 17 HZ1 LYS 17 29.880 8.176 -13.457 159 HZ2 LYS 17 HZ2 LYS 17 30.207 7.081 -14.702 160 HZ3 LYS 17 HZ3 LYS 17 31.135 7.060 -13.292 161 H GLY 18 HN GLY 18 26.181 11.885 -10.254 162 HA2 GLY 18 HA2 GLY 18 24.537 13.203 -11.267 163 HA3 GLY 18 HA1 GLY 18 24.125 11.874 -12.335 164 H LYS 19 HN LYS 19 24.195 10.518 -9.354 165 HA LYS 19 HA LYS 19 21.310 10.944 -8.837 166 HB2 LYS 19 HB2 LYS 19 23.088 8.530 -8.215 167 HB3 LYS 19 HB1 LYS 19 21.381 8.667 -7.794 168 HG2 LYS 19 HG2 LYS 19 22.444 8.726 -10.633 169 HG3 LYS 19 HG1 LYS 19 21.882 7.253 -9.830 170 HD2 LYS 19 HD2 LYS 19 20.207 9.741 -10.389 171 HD3 LYS 19 HD1 LYS 19 20.159 8.242 -11.323 172 HE2 LYS 19 HE2 LYS 19 19.310 7.024 -9.360 173 HE3 LYS 19 HE1 LYS 19 19.429 8.491 -8.378 174 HZ1 LYS 19 HZ1 LYS 19 17.677 8.100 -10.734 175 HZ2 LYS 19 HZ2 LYS 19 17.806 9.532 -9.838 176 HZ3 LYS 19 HZ3 LYS 19 17.182 8.143 -9.117 177 H VAL 20 HN VAL 20 21.097 12.300 -7.146 178 HA VAL 20 HA VAL 20 23.210 12.686 -5.207 179 HB VAL 20 HB VAL 20 20.388 13.845 -5.108 180 HG11 VAL 20 HG11 VAL 20 21.425 15.600 -3.678 181 HG12 VAL 20 HG12 VAL 20 22.965 14.737 -3.744 182 HG13 VAL 20 HG13 VAL 20 21.571 13.995 -2.955 183 HG21 VAL 20 HG21 VAL 20 21.341 15.875 -6.173 184 HG22 VAL 20 HG22 VAL 20 21.455 14.470 -7.236 185 HG23 VAL 20 HG23 VAL 20 22.888 15.042 -6.376 186 H GLU 21 HN GLU 21 23.495 11.376 -3.551 187 HA GLU 21 HA GLU 21 21.438 9.446 -2.760 188 HB2 GLU 21 HB2 GLU 21 24.401 9.444 -2.040 189 HB3 GLU 21 HB1 GLU 21 23.272 8.090 -1.929 190 HG2 GLU 21 HG2 GLU 21 24.181 9.404 -4.523 191 HG3 GLU 21 HG1 GLU 21 24.908 7.954 -3.822 192 H TYR 22 HN TYR 22 20.684 9.312 -0.711 193 HA TYR 22 HA TYR 22 21.614 11.219 1.362 194 HB2 TYR 22 HB2 TYR 22 18.739 10.490 0.600 195 HB3 TYR 22 HB1 TYR 22 19.172 11.375 2.057 196 HD1 TYR 22 HD1 TYR 22 19.064 11.576 -1.664 197 HD2 TYR 22 HD2 TYR 22 19.657 13.738 1.965 198 HE1 TYR 22 HE1 TYR 22 18.899 13.699 -2.888 199 HE2 TYR 22 HE2 TYR 22 19.479 15.853 0.749 200 HH TYR 22 HH TYR 22 18.420 16.022 -2.535 201 H LEU 23 HN LEU 23 22.618 9.785 2.790 202 HA LEU 23 HA LEU 23 21.492 7.306 3.679 203 HB2 LEU 23 HB2 LEU 23 23.901 8.054 4.028 204 HB3 LEU 23 HB1 LEU 23 23.319 9.216 5.206 205 HG LEU 23 HG LEU 23 22.441 7.291 6.584 206 HD11 LEU 23 HD11 LEU 23 23.969 5.568 4.615 207 HD12 LEU 23 HD12 LEU 23 22.216 5.612 4.825 208 HD13 LEU 23 HD13 LEU 23 23.242 5.026 6.131 209 HD21 LEU 23 HD21 LEU 23 25.429 7.255 6.035 210 HD22 LEU 23 HD22 LEU 23 24.633 6.610 7.475 211 HD23 LEU 23 HD23 LEU 23 24.585 8.340 7.146 212 H VAL 24 HN VAL 24 19.403 7.400 4.406 213 HA VAL 24 HA VAL 24 18.427 9.812 5.738 214 HB VAL 24 HB VAL 24 16.822 7.385 4.825 215 HG11 VAL 24 HG11 VAL 24 15.907 10.217 5.494 216 HG12 VAL 24 HG12 VAL 24 15.618 8.771 6.466 217 HG13 VAL 24 HG13 VAL 24 14.876 8.922 4.872 218 HG21 VAL 24 HG21 VAL 24 17.366 9.956 3.295 219 HG22 VAL 24 HG22 VAL 24 16.277 8.659 2.790 220 HG23 VAL 24 HG23 VAL 24 18.010 8.357 2.909 221 H LYS 25 HN LYS 25 18.490 9.867 7.929 222 HA LYS 25 HA LYS 25 18.443 7.458 9.551 223 HB2 LYS 25 HB2 LYS 25 19.771 9.413 10.285 224 HB3 LYS 25 HB1 LYS 25 18.324 10.408 10.344 225 HG2 LYS 25 HG2 LYS 25 18.975 9.739 12.591 226 HG3 LYS 25 HG1 LYS 25 17.419 9.016 12.162 227 HD2 LYS 25 HD2 LYS 25 18.553 6.862 11.681 228 HD3 LYS 25 HD1 LYS 25 20.112 7.585 12.094 229 HE2 LYS 25 HE2 LYS 25 17.754 7.109 13.955 230 HE3 LYS 25 HE1 LYS 25 19.323 6.301 13.993 231 HZ1 LYS 25 HZ1 LYS 25 19.194 7.972 15.704 232 HZ2 LYS 25 HZ2 LYS 25 18.808 9.175 14.578 233 HZ3 LYS 25 HZ3 LYS 25 20.337 8.449 14.552 234 H TRP 26 HN TRP 26 16.561 6.398 9.811 235 HA TRP 26 HA TRP 26 14.007 7.710 9.331 236 HB2 TRP 26 HB2 TRP 26 14.564 4.774 9.951 237 HB3 TRP 26 HB1 TRP 26 13.073 5.447 9.298 238 HD1 TRP 26 HD1 TRP 26 16.614 4.420 8.250 239 HE1 TRP 26 HE1 TRP 26 16.761 4.403 5.677 240 HE3 TRP 26 HE3 TRP 26 12.087 6.538 7.137 241 HZ2 TRP 26 HZ2 TRP 26 15.200 5.195 3.476 242 HZ3 TRP 26 HZ3 TRP 26 11.493 6.875 4.776 243 HH2 TRP 26 HH2 TRP 26 13.016 6.216 2.980 244 H LYS 27 HN LYS 27 14.183 9.053 11.196 245 HA LYS 27 HA LYS 27 13.780 9.816 13.252 246 HB2 LYS 27 HB2 LYS 27 11.501 9.056 12.588 247 HB3 LYS 27 HB1 LYS 27 11.788 7.525 13.413 248 HG2 LYS 27 HG2 LYS 27 12.046 8.754 15.569 249 HG3 LYS 27 HG1 LYS 27 11.703 10.269 14.725 250 HD2 LYS 27 HD2 LYS 27 9.442 9.430 14.147 251 HD3 LYS 27 HD1 LYS 27 9.789 7.909 14.980 252 HE2 LYS 27 HE2 LYS 27 10.067 9.184 17.113 253 HE3 LYS 27 HE1 LYS 27 9.634 10.670 16.263 254 HZ1 LYS 27 HZ1 LYS 27 7.889 8.280 16.524 255 HZ2 LYS 27 HZ2 LYS 27 7.468 9.745 15.800 256 HZ3 LYS 27 HZ3 LYS 27 7.765 9.678 17.466 257 H GLY 28 HN GLY 28 13.142 6.495 14.360 258 HA2 GLY 28 HA2 GLY 28 15.377 6.771 16.312 259 HA3 GLY 28 HA1 GLY 28 13.783 6.163 16.739 260 H TRP 29 HN TRP 29 14.690 5.114 13.662 261 HA TRP 29 HA TRP 29 15.212 2.402 14.405 262 HB2 TRP 29 HB2 TRP 29 15.388 3.928 11.782 263 HB3 TRP 29 HB1 TRP 29 15.939 2.259 11.889 264 HD1 TRP 29 HD1 TRP 29 12.631 4.194 12.723 265 HE1 TRP 29 HE1 TRP 29 10.670 2.676 12.048 266 HE3 TRP 29 HE3 TRP 29 15.270 0.113 11.140 267 HZ2 TRP 29 HZ2 TRP 29 10.288 0.087 10.991 268 HZ3 TRP 29 HZ3 TRP 29 14.036 -1.846 10.304 269 HH2 TRP 29 HH2 TRP 29 11.591 -1.858 10.230 270 HA PRO 30 HA PRO 30 19.445 2.958 15.703 271 HB2 PRO 30 HB2 PRO 30 20.366 0.346 15.216 272 HB3 PRO 30 HB1 PRO 30 19.509 0.876 16.668 273 HG2 PRO 30 HG2 PRO 30 18.434 -0.507 14.231 274 HG3 PRO 30 HG1 PRO 30 18.047 -0.787 15.940 275 HD2 PRO 30 HD2 PRO 30 16.380 0.599 14.353 276 HD3 PRO 30 HD1 PRO 30 16.627 1.080 16.051 277 HA PRO 31 HA PRO 31 21.699 4.573 12.346 278 HB2 PRO 31 HB2 PRO 31 24.106 3.095 13.450 279 HB3 PRO 31 HB1 PRO 31 23.973 4.776 12.906 280 HG2 PRO 31 HG2 PRO 31 23.896 4.252 15.493 281 HG3 PRO 31 HG1 PRO 31 22.757 5.430 14.808 282 HD2 PRO 31 HD2 PRO 31 22.256 2.605 15.698 283 HD3 PRO 31 HD1 PRO 31 21.197 4.029 15.805 284 H LYS 32 HN LYS 32 22.177 1.071 12.704 285 HA LYS 32 HA LYS 32 23.471 0.709 10.154 286 HB2 LYS 32 HB2 LYS 32 23.220 -1.721 10.593 287 HB3 LYS 32 HB1 LYS 32 23.956 -0.854 11.938 288 HG2 LYS 32 HG2 LYS 32 21.788 -0.892 13.141 289 HG3 LYS 32 HG1 LYS 32 21.064 -1.776 11.790 290 HD2 LYS 32 HD2 LYS 32 22.671 -3.636 12.164 291 HD3 LYS 32 HD1 LYS 32 23.368 -2.758 13.528 292 HE2 LYS 32 HE2 LYS 32 21.266 -2.930 14.751 293 HE3 LYS 32 HE1 LYS 32 20.480 -3.688 13.363 294 HZ1 LYS 32 HZ1 LYS 32 21.148 -5.317 15.014 295 HZ2 LYS 32 HZ2 LYS 32 22.756 -4.823 14.891 296 HZ3 LYS 32 HZ3 LYS 32 21.996 -5.554 13.569 297 H TYR 33 HN TYR 33 20.241 1.312 10.876 298 HA TYR 33 HA TYR 33 19.198 -0.040 8.464 299 HB2 TYR 33 HB2 TYR 33 17.770 1.107 10.895 300 HB3 TYR 33 HB1 TYR 33 16.915 0.584 9.449 301 HD1 TYR 33 HD2 TYR 33 16.793 -1.825 8.855 302 HD2 TYR 33 HD1 TYR 33 18.717 -0.538 12.447 303 HE1 TYR 33 HE2 TYR 33 16.729 -4.128 9.709 304 HE2 TYR 33 HE1 TYR 33 18.655 -2.841 13.301 305 HH TYR 33 HH TYR 33 17.962 -5.529 11.352 306 H SER 34 HN SER 34 20.468 2.939 9.295 307 HA SER 34 HA SER 34 18.751 4.629 7.719 308 HB2 SER 34 HB2 SER 34 20.627 6.264 7.788 309 HB3 SER 34 HB1 SER 34 20.271 5.627 9.393 310 HG SER 34 HG SER 34 22.262 4.402 7.828 311 H THR 35 HN THR 35 18.651 4.747 5.519 312 HA THR 35 HA THR 35 20.482 2.992 3.985 313 HB THR 35 HB THR 35 18.481 2.633 2.460 314 HG1 THR 35 HG1 THR 35 16.633 3.582 2.898 315 HG21 THR 35 HG21 THR 35 19.052 0.932 4.176 316 HG22 THR 35 HG22 THR 35 17.308 1.040 3.923 317 HG23 THR 35 HG23 THR 35 18.039 1.784 5.347 318 H TRP 36 HN TRP 36 21.348 3.703 2.100 319 HA TRP 36 HA TRP 36 21.359 6.507 1.441 320 HB2 TRP 36 HB2 TRP 36 22.747 4.083 0.218 321 HB3 TRP 36 HB1 TRP 36 22.888 5.686 -0.484 322 HD1 TRP 36 HD1 TRP 36 24.364 3.518 2.234 323 HE1 TRP 36 HE1 TRP 36 26.211 4.833 3.451 324 HE3 TRP 36 HE3 TRP 36 23.449 8.164 0.309 325 HZ2 TRP 36 HZ2 TRP 36 27.155 7.500 3.581 326 HZ3 TRP 36 HZ3 TRP 36 24.861 10.048 1.022 327 HH2 TRP 36 HH2 TRP 36 26.678 9.720 2.628 328 H GLU 37 HN GLU 37 19.210 6.865 0.841 329 HA GLU 37 HA GLU 37 18.136 5.585 -1.582 330 HB2 GLU 37 HB2 GLU 37 16.827 7.467 0.421 331 HB3 GLU 37 HB1 GLU 37 15.997 6.561 -0.844 332 HG2 GLU 37 HG2 GLU 37 17.372 5.424 1.617 333 HG3 GLU 37 HG1 GLU 37 15.630 5.592 1.374 334 HA PRO 38 HA PRO 38 19.312 9.343 -3.780 335 HB2 PRO 38 HB2 PRO 38 18.133 8.947 -6.183 336 HB3 PRO 38 HB1 PRO 38 19.479 7.945 -5.627 337 HG2 PRO 38 HG2 PRO 38 16.549 7.323 -5.672 338 HG3 PRO 38 HG1 PRO 38 17.926 6.263 -6.030 339 HD2 PRO 38 HD2 PRO 38 16.552 6.327 -3.592 340 HD3 PRO 38 HD1 PRO 38 18.189 5.677 -3.816 341 H GLU 39 HN GLU 39 18.452 11.206 -4.821 342 HA GLU 39 HA GLU 39 16.949 12.785 -3.294 343 HB2 GLU 39 HB2 GLU 39 16.798 14.311 -5.296 344 HB3 GLU 39 HB1 GLU 39 18.393 13.631 -5.007 345 HG2 GLU 39 HG2 GLU 39 17.803 11.849 -6.755 346 HG3 GLU 39 HG1 GLU 39 16.399 12.832 -7.154 347 H GLU 40 HN GLU 40 15.493 10.686 -5.696 348 HA GLU 40 HA GLU 40 13.061 12.090 -6.151 349 HB2 GLU 40 HB2 GLU 40 13.668 9.132 -6.536 350 HB3 GLU 40 HB1 GLU 40 12.361 10.032 -7.316 351 HG2 GLU 40 HG2 GLU 40 13.951 11.325 -8.605 352 HG3 GLU 40 HG1 GLU 40 15.310 10.649 -7.709 353 H HIS 41 HN HIS 41 14.008 9.742 -3.715 354 HA HIS 41 HA HIS 41 11.407 8.836 -2.958 355 HB2 HIS 41 HB2 HIS 41 12.484 7.521 -1.336 356 HB3 HIS 41 HB1 HIS 41 13.723 7.703 -2.566 357 HD1 HIS 41 HD1 HIS 41 15.265 10.071 -1.941 358 HD2 HIS 41 HD2 HIS 41 13.524 7.894 1.113 359 HE1 HIS 41 HE1 HIS 41 16.517 10.718 0.120 360 HE2 HIS 41 HE2 HIS 41 15.232 9.604 1.968 361 H ILE 42 HN ILE 42 12.978 11.777 -2.262 362 HA ILE 42 HA ILE 42 11.973 12.350 0.374 363 HB ILE 42 HB ILE 42 12.886 14.234 -1.861 364 HG12 ILE 42 HG12 ILE 42 14.665 12.588 -1.135 365 HG13 ILE 42 HG11 ILE 42 15.099 14.271 -0.871 366 HG21 ILE 42 HG21 ILE 42 12.552 14.823 1.099 367 HG22 ILE 42 HG22 ILE 42 11.562 15.450 -0.221 368 HG23 ILE 42 HG23 ILE 42 13.256 15.921 -0.094 369 HD11 ILE 42 HD11 ILE 42 14.132 12.355 1.247 370 HD12 ILE 42 HD12 ILE 42 14.601 14.038 1.507 371 HD13 ILE 42 HD13 ILE 42 15.798 12.861 0.971 372 H LEU 43 HN LEU 43 9.783 13.014 0.909 373 HA LEU 43 HA LEU 43 8.143 13.932 -1.431 374 HB2 LEU 43 HB2 LEU 43 6.113 13.272 -0.175 375 HB3 LEU 43 HB1 LEU 43 7.171 11.944 -0.572 376 HG LEU 43 HG LEU 43 7.983 12.030 1.866 377 HD11 LEU 43 HD11 LEU 43 7.189 14.216 2.540 378 HD12 LEU 43 HD12 LEU 43 6.410 12.980 3.518 379 HD13 LEU 43 HD13 LEU 43 5.517 13.755 2.210 380 HD21 LEU 43 HD21 LEU 43 6.518 10.258 1.021 381 HD22 LEU 43 HD22 LEU 43 5.096 11.258 1.336 382 HD23 LEU 43 HD23 LEU 43 6.091 10.687 2.678 383 H ASP 44 HN ASP 44 9.782 15.296 1.064 384 HA ASP 44 HA ASP 44 7.912 17.571 1.288 385 HB2 ASP 44 HB2 ASP 44 7.973 17.582 3.681 386 HB3 ASP 44 HB1 ASP 44 7.591 15.934 3.214 387 HA PRO 45 HA PRO 45 11.664 20.054 0.980 388 HB2 PRO 45 HB2 PRO 45 10.961 22.303 2.404 389 HB3 PRO 45 HB1 PRO 45 10.336 21.950 0.789 390 HG2 PRO 45 HG2 PRO 45 9.044 21.449 3.470 391 HG3 PRO 45 HG1 PRO 45 8.331 22.151 2.001 392 HD2 PRO 45 HD2 PRO 45 7.925 19.566 2.665 393 HD3 PRO 45 HD1 PRO 45 8.086 20.069 0.967 394 H ARG 46 HN ARG 46 10.288 19.543 4.205 395 HA ARG 46 HA ARG 46 12.260 20.901 5.695 396 HB2 ARG 46 HB2 ARG 46 10.281 18.764 6.587 397 HB3 ARG 46 HB1 ARG 46 11.233 19.774 7.678 398 HG2 ARG 46 HG2 ARG 46 10.123 21.796 6.718 399 HG3 ARG 46 HG1 ARG 46 9.115 20.738 5.724 400 HD2 ARG 46 HD2 ARG 46 8.103 19.763 7.724 401 HD3 ARG 46 HD1 ARG 46 9.192 20.695 8.766 402 HE ARG 46 HE ARG 46 7.228 21.996 6.956 403 HH11 ARG 46 HH11 ARG 46 8.576 21.616 10.189 404 HH12 ARG 46 HH12 ARG 46 7.694 22.957 10.846 405 HH21 ARG 46 HH21 ARG 46 6.084 23.763 7.839 406 HH22 ARG 46 HH22 ARG 46 6.276 24.167 9.515 407 H LEU 47 HN LEU 47 12.172 17.621 4.514 408 HA LEU 47 HA LEU 47 13.964 16.438 6.379 409 HB2 LEU 47 HB2 LEU 47 12.351 15.163 5.060 410 HB3 LEU 47 HB1 LEU 47 13.157 15.614 3.572 411 HG LEU 47 HG LEU 47 15.036 14.189 4.031 412 HD11 LEU 47 HD11 LEU 47 15.413 14.594 6.381 413 HD12 LEU 47 HD12 LEU 47 15.249 12.861 6.114 414 HD13 LEU 47 HD13 LEU 47 13.910 13.774 6.812 415 HD21 LEU 47 HD21 LEU 47 13.041 13.049 3.152 416 HD22 LEU 47 HD22 LEU 47 12.493 12.715 4.797 417 HD23 LEU 47 HD23 LEU 47 13.979 11.976 4.192 418 H VAL 48 HN VAL 48 14.512 17.569 3.035 419 HA VAL 48 HA VAL 48 17.341 17.065 3.009 420 HB VAL 48 HB VAL 48 15.675 18.884 1.196 421 HG11 VAL 48 HG11 VAL 48 18.428 17.676 0.709 422 HG12 VAL 48 HG12 VAL 48 18.076 19.383 0.989 423 HG13 VAL 48 HG13 VAL 48 17.485 18.591 -0.472 424 HG21 VAL 48 HG21 VAL 48 16.446 15.964 0.799 425 HG22 VAL 48 HG22 VAL 48 15.575 16.971 -0.362 426 HG23 VAL 48 HG23 VAL 48 14.830 16.565 1.184 427 H MET 49 HN MET 49 15.313 19.814 3.754 428 HA MET 49 HA MET 49 17.389 21.796 3.910 429 HB2 MET 49 HB2 MET 49 14.487 21.839 4.850 430 HB3 MET 49 HB1 MET 49 15.552 23.249 4.809 431 HG2 MET 49 HG2 MET 49 15.720 23.083 2.380 432 HG3 MET 49 HG1 MET 49 14.765 21.603 2.386 433 HE1 MET 49 HE1 MET 49 13.087 25.822 3.296 434 HE2 MET 49 HE2 MET 49 14.727 25.511 2.725 435 HE3 MET 49 HE3 MET 49 14.253 25.026 4.353 436 H ALA 50 HN ALA 50 15.902 19.554 6.162 437 HA ALA 50 HA ALA 50 16.724 20.691 8.634 438 HB1 ALA 50 HB1 ALA 50 15.040 18.892 8.533 439 HB2 ALA 50 HB2 ALA 50 16.370 18.450 9.605 440 HB3 ALA 50 HB3 ALA 50 16.269 17.753 7.983 441 H TYR 51 HN TYR 51 18.291 18.523 6.344 442 HA TYR 51 HA TYR 51 20.507 17.598 7.751 443 HB2 TYR 51 HB2 TYR 51 19.887 16.741 5.540 444 HB3 TYR 51 HB1 TYR 51 20.211 18.299 4.796 445 HD1 TYR 51 HD2 TYR 51 21.861 15.453 6.555 446 HD2 TYR 51 HD1 TYR 51 22.411 18.790 3.955 447 HE1 TYR 51 HE2 TYR 51 24.141 14.715 6.101 448 HE2 TYR 51 HE1 TYR 51 24.713 18.063 3.504 449 HH TYR 51 HH TYR 51 26.466 16.687 4.587 450 H GLU 52 HN GLU 52 20.176 20.494 5.755 451 HA GLU 52 HA GLU 52 22.861 21.415 5.909 452 HB2 GLU 52 HB2 GLU 52 20.344 23.030 5.286 453 HB3 GLU 52 HB1 GLU 52 21.999 23.419 4.799 454 HG2 GLU 52 HG2 GLU 52 22.067 21.525 3.298 455 HG3 GLU 52 HG1 GLU 52 20.510 20.936 3.883 456 H GLU 53 HN GLU 53 19.907 22.260 7.667 457 HA GLU 53 HA GLU 53 21.385 24.070 9.492 458 HB2 GLU 53 HB2 GLU 53 18.389 23.850 8.938 459 HB3 GLU 53 HB1 GLU 53 19.163 25.036 9.989 460 HG2 GLU 53 HG2 GLU 53 20.319 26.028 8.067 461 HG3 GLU 53 HG1 GLU 53 19.642 24.804 6.995 462 H LYS 54 HN LYS 54 21.920 21.494 10.000 463 HA LYS 54 HA LYS 54 20.430 20.875 12.487 464 HB2 LYS 54 HB2 LYS 54 20.302 19.137 10.647 465 HB3 LYS 54 HB1 LYS 54 22.047 18.959 10.734 466 HG2 LYS 54 HG2 LYS 54 20.980 17.146 11.927 467 HG3 LYS 54 HG1 LYS 54 21.839 18.173 13.073 468 HD2 LYS 54 HD2 LYS 54 19.671 17.486 13.986 469 HD3 LYS 54 HD1 LYS 54 19.704 19.231 13.746 470 HE2 LYS 54 HE2 LYS 54 18.534 17.453 11.610 471 HE3 LYS 54 HE1 LYS 54 17.580 17.849 13.037 472 HZ1 LYS 54 HZ1 LYS 54 18.694 19.738 11.041 473 HZ2 LYS 54 HZ2 LYS 54 17.935 20.215 12.475 474 HZ3 LYS 54 HZ3 LYS 54 17.065 19.365 11.308 475 H GLU 55 HN GLU 55 21.644 21.636 14.183 476 HA GLU 55 HA GLU 55 24.549 21.355 14.223 477 HB2 GLU 55 HB2 GLU 55 22.572 22.401 16.293 478 HB3 GLU 55 HB1 GLU 55 24.280 22.188 16.640 479 HG2 GLU 55 HG2 GLU 55 23.883 24.498 16.141 480 HG3 GLU 55 HG1 GLU 55 24.845 23.794 14.842 481 H GLU 56 HN GLU 56 24.533 19.096 13.846 482 HA GLU 56 HA GLU 56 23.561 17.312 15.967 483 HB2 GLU 56 HB2 GLU 56 23.372 16.996 13.286 484 HB3 GLU 56 HB1 GLU 56 24.964 16.283 13.485 485 HG2 GLU 56 HG2 GLU 56 22.386 15.364 14.807 486 HG3 GLU 56 HG1 GLU 56 23.198 14.588 13.451 487 H1 ALA 1 HT1 ALA 1 1.391 14.794 1.691 488 H2 ALA 1 HT2 ALA 1 2.824 15.558 1.228 489 H3 ALA 1 HT3 ALA 1 1.444 16.479 1.558 490 HA ALA 1 HA ALA 1 1.493 15.809 3.854 491 HB1 ALA 1 HB1 ALA 1 3.435 14.531 4.712 492 HB2 ALA 1 HB2 ALA 1 4.034 14.349 3.063 493 HB3 ALA 1 HB3 ALA 1 2.509 13.599 3.533 494 H ARG 2 HN ARG 2 1.703 17.943 4.344 495 HA ARG 2 HA ARG 2 3.950 19.555 3.389 496 HB2 ARG 2 HB2 ARG 2 1.527 20.367 5.052 497 HB3 ARG 2 HB1 ARG 2 2.660 21.468 4.268 498 HG2 ARG 2 HG2 ARG 2 0.712 19.581 2.887 499 HG3 ARG 2 HG1 ARG 2 0.554 21.335 3.037 500 HD2 ARG 2 HD2 ARG 2 2.698 21.557 1.716 501 HD3 ARG 2 HD1 ARG 2 2.640 19.808 1.437 502 HE ARG 2 HE ARG 2 0.189 20.659 0.609 503 HH11 ARG 2 HH11 ARG 2 3.452 21.636 -0.289 504 HH12 ARG 2 HH12 ARG 2 2.983 22.166 -1.872 505 HH21 ARG 2 HH21 ARG 2 -0.411 21.371 -1.457 506 HH22 ARG 2 HH22 ARG 2 0.789 22.017 -2.534 507 H THR 3 HN THR 3 2.546 18.468 6.465 508 HA THR 3 HA THR 3 4.661 19.700 8.081 509 HB THR 3 HB THR 3 3.261 18.741 10.026 510 HG1 THR 3 HG1 THR 3 1.161 18.059 9.486 511 HG21 THR 3 HG21 THR 3 1.516 20.471 9.880 512 HG22 THR 3 HG22 THR 3 1.854 20.696 8.164 513 HG23 THR 3 HG23 THR 3 3.075 21.124 9.367 514 H LYS 4 HN LYS 4 3.603 16.518 6.976 515 HA LYS 4 HA LYS 4 5.151 14.978 8.851 516 HB2 LYS 4 HB2 LYS 4 4.074 14.049 6.151 517 HB3 LYS 4 HB1 LYS 4 4.611 13.027 7.481 518 HG2 LYS 4 HG2 LYS 4 2.155 14.806 7.440 519 HG3 LYS 4 HG1 LYS 4 2.189 13.046 7.315 520 HD2 LYS 4 HD2 LYS 4 3.112 12.929 9.629 521 HD3 LYS 4 HD1 LYS 4 3.010 14.692 9.745 522 HE2 LYS 4 HE2 LYS 4 0.544 14.544 9.406 523 HE3 LYS 4 HE1 LYS 4 0.673 12.782 9.350 524 HZ1 LYS 4 HZ1 LYS 4 1.387 14.507 11.654 525 HZ2 LYS 4 HZ2 LYS 4 1.513 12.822 11.609 526 HZ3 LYS 4 HZ3 LYS 4 -0.006 13.555 11.519 527 H GLN 5 HN GLN 5 7.302 15.442 8.822 528 HA GLN 5 HA GLN 5 8.925 15.507 6.459 529 HB2 GLN 5 HB2 GLN 5 9.532 16.524 8.753 530 HB3 GLN 5 HB1 GLN 5 9.865 14.882 9.301 531 HG2 GLN 5 HG2 GLN 5 11.528 14.747 7.337 532 HG3 GLN 5 HG1 GLN 5 11.331 16.492 7.183 533 HE21 GLN 5 HE21 GLN 5 11.439 14.596 10.175 534 HE22 GLN 5 HE22 GLN 5 12.900 15.289 10.766 535 H THR 6 HN THR 6 8.938 13.692 5.197 536 HA THR 6 HA THR 6 9.221 11.015 6.348 537 HB THR 6 HB THR 6 6.726 11.748 4.740 538 HG1 THR 6 HG1 THR 6 7.226 11.674 7.473 539 HG21 THR 6 HG21 THR 6 5.912 9.499 5.345 540 HG22 THR 6 HG22 THR 6 7.443 9.154 6.149 541 HG23 THR 6 HG23 THR 6 7.400 9.396 4.400 542 H ALA 7 HN ALA 7 9.674 9.398 4.787 543 HA ALA 7 HA ALA 7 10.270 10.209 2.020 544 HB1 ALA 7 HB1 ALA 7 12.324 10.645 3.316 545 HB2 ALA 7 HB2 ALA 7 12.556 9.323 2.181 546 HB3 ALA 7 HB3 ALA 7 12.326 8.980 3.896 547 H ARG 8 HN ARG 8 10.330 8.473 0.566 548 HA ARG 8 HA ARG 8 9.108 5.947 1.399 549 HB2 ARG 8 HB2 ARG 8 10.050 6.748 -1.397 550 HB3 ARG 8 HB1 ARG 8 9.043 5.369 -0.989 551 HG2 ARG 8 HG2 ARG 8 7.580 6.931 -1.955 552 HG3 ARG 8 HG1 ARG 8 7.278 7.065 -0.223 553 HD2 ARG 8 HD2 ARG 8 8.562 9.106 -0.098 554 HD3 ARG 8 HD1 ARG 8 9.132 8.908 -1.758 555 HE ARG 8 HE ARG 8 6.280 9.349 -1.120 556 HH11 ARG 8 HH11 ARG 8 9.159 10.254 -2.922 557 HH12 ARG 8 HH12 ARG 8 8.329 11.424 -3.895 558 HH21 ARG 8 HH21 ARG 8 5.205 10.898 -2.385 559 HH22 ARG 8 HH22 ARG 8 6.087 11.794 -3.585 560 H M3L 9 HN M3L 9 10.124 3.884 0.976 561 HA M3L 9 HA M3L 9 13.070 3.938 0.745 562 HB2 M3L 9 HB2 M3L 9 11.236 1.625 1.532 563 HB3 M3L 9 HB1 M3L 9 13.005 1.610 1.558 564 HG2 M3L 9 HG2 M3L 9 12.836 3.571 3.212 565 HG3 M3L 9 HG1 M3L 9 11.114 3.190 3.334 566 HD2 M3L 9 HD2 M3L 9 11.668 0.924 4.151 567 HD3 M3L 9 HD1 M3L 9 13.395 1.274 3.976 568 HE2 M3L 9 HE2 M3L 9 12.991 3.247 5.581 569 HE3 M3L 9 HE1 M3L 9 11.426 2.512 5.913 570 HM11 M3L 9 HH33 M3L 9 13.414 1.428 8.809 571 HM12 M3L 9 HH31 M3L 9 11.882 2.138 8.289 572 HM13 M3L 9 HH32 M3L 9 13.391 3.028 8.062 573 HM21 M3L 9 HH11 M3L 9 12.911 -0.609 7.451 574 HM22 M3L 9 HH12 M3L 9 12.583 -0.466 5.722 575 HM23 M3L 9 HH13 M3L 9 11.393 0.104 6.896 576 HM31 M3L 9 HH21 M3L 9 15.079 0.636 7.140 577 HM32 M3L 9 HH22 M3L 9 15.085 2.233 6.385 578 HM33 M3L 9 HH23 M3L 9 14.754 0.796 5.411 579 H SER 10 HN SER 10 13.844 1.788 -0.438 580 HA SER 10 HA SER 10 13.525 2.200 -3.159 581 HB2 SER 10 HB2 SER 10 14.642 -0.109 -3.347 582 HB3 SER 10 HB1 SER 10 15.490 1.098 -2.379 583 HG SER 10 HG SER 10 13.860 -1.026 -1.440 584 H THR 11 HN THR 11 11.651 2.087 -4.190 585 HA THR 11 HA THR 11 9.674 -0.031 -3.590 586 HB THR 11 HB THR 11 8.705 2.034 -2.889 587 HG1 THR 11 HG1 THR 11 7.642 1.909 -5.507 588 HG21 THR 11 HG21 THR 11 10.269 3.615 -3.975 589 HG22 THR 11 HG22 THR 11 8.586 4.082 -4.241 590 HG23 THR 11 HG23 THR 11 9.500 3.303 -5.534 591 H GLY 12 HN GLY 12 8.739 -1.142 -5.234 592 HA2 GLY 12 HA2 GLY 12 9.727 -0.863 -7.968 593 HA3 GLY 12 HA1 GLY 12 8.686 -2.135 -7.339 594 H GLY 13 HN GLY 13 8.452 -0.339 -9.738 595 HA2 GLY 13 HA2 GLY 13 5.710 -0.139 -9.978 596 HA3 GLY 13 HA1 GLY 13 6.224 1.426 -9.350 597 H LYS 14 HN LYS 14 5.140 1.912 -11.557 598 HA LYS 14 HA LYS 14 7.221 2.416 -13.527 599 HB2 LYS 14 HB2 LYS 14 6.440 0.124 -14.128 600 HB3 LYS 14 HB1 LYS 14 4.787 0.717 -14.242 601 HG2 LYS 14 HG2 LYS 14 5.501 2.197 -16.125 602 HG3 LYS 14 HG1 LYS 14 7.112 1.478 -16.041 603 HD2 LYS 14 HD2 LYS 14 4.561 -0.112 -16.580 604 HD3 LYS 14 HD1 LYS 14 5.591 0.547 -17.849 605 HE2 LYS 14 HE2 LYS 14 6.142 -1.780 -17.596 606 HE3 LYS 14 HE1 LYS 14 7.482 -0.855 -16.939 607 HZ1 LYS 14 HZ1 LYS 14 6.862 -2.782 -15.584 608 HZ2 LYS 14 HZ2 LYS 14 5.342 -2.099 -15.301 609 HZ3 LYS 14 HZ3 LYS 14 6.735 -1.332 -14.728 610 H ALA 15 HN ALA 15 6.914 4.432 -14.219 611 HA ALA 15 HA ALA 15 4.610 5.303 -15.562 612 HB1 ALA 15 HB1 ALA 15 3.910 7.235 -14.164 613 HB2 ALA 15 HB2 ALA 15 5.015 6.716 -12.888 614 HB3 ALA 15 HB3 ALA 15 3.636 5.708 -13.324 Start of MODEL 13 1 H1 GLY 1 HT1 GLY 1 2.198 -1.463 -2.837 2 H2 GLY 1 HT2 GLY 1 1.953 -0.603 -4.269 3 H3 GLY 1 HT3 GLY 1 0.627 -1.199 -3.404 4 HA2 GLY 1 HA1 GLY 1 0.837 1.164 -3.042 5 HA3 GLY 1 HA2 GLY 1 1.133 0.270 -1.556 6 H GLU 2 HN GLU 2 2.271 2.217 -0.837 7 HA GLU 2 HA GLU 2 5.098 2.265 -1.735 8 HB2 GLU 2 HB2 GLU 2 3.479 4.658 -0.726 9 HB3 GLU 2 HB1 GLU 2 5.200 4.673 -1.105 10 HG2 GLU 2 HG2 GLU 2 2.915 4.284 -3.052 11 HG3 GLU 2 HG1 GLU 2 3.942 5.707 -2.891 12 H GLN 3 HN GLN 3 6.636 2.374 -0.108 13 HA GLN 3 HA GLN 3 5.734 1.836 2.648 14 HB2 GLN 3 HB2 GLN 3 7.229 0.160 1.572 15 HB3 GLN 3 HB1 GLN 3 8.460 1.394 1.334 16 HG2 GLN 3 HG2 GLN 3 8.907 1.546 3.667 17 HG3 GLN 3 HG1 GLN 3 7.445 0.660 4.087 18 HE21 GLN 3 HE21 GLN 3 7.444 -1.611 3.934 19 HE22 GLN 3 HE22 GLN 3 8.902 -2.520 3.768 20 H VAL 4 HN VAL 4 5.184 4.016 3.107 21 HA VAL 4 HA VAL 4 7.231 6.113 2.948 22 HB VAL 4 HB VAL 4 5.512 7.734 3.418 23 HG11 VAL 4 HG11 VAL 4 5.480 6.868 1.123 24 HG12 VAL 4 HG12 VAL 4 3.857 7.336 1.625 25 HG13 VAL 4 HG13 VAL 4 4.310 5.628 1.582 26 HG21 VAL 4 HG21 VAL 4 4.300 6.627 5.256 27 HG22 VAL 4 HG22 VAL 4 3.594 5.473 4.125 28 HG23 VAL 4 HG23 VAL 4 3.162 7.184 4.024 29 H PHE 5 HN PHE 5 8.133 7.144 4.718 30 HA PHE 5 HA PHE 5 7.282 6.432 7.446 31 HB2 PHE 5 HB2 PHE 5 10.072 6.069 6.291 32 HB3 PHE 5 HB1 PHE 5 9.881 6.434 8.000 33 HD1 PHE 5 HD2 PHE 5 9.077 3.909 5.368 34 HD2 PHE 5 HD1 PHE 5 9.218 4.732 9.565 35 HE1 PHE 5 HE2 PHE 5 8.687 1.533 5.860 36 HE2 PHE 5 HE1 PHE 5 8.828 2.351 10.036 37 HZ PHE 5 HZ PHE 5 8.557 0.754 8.186 38 H ALA 6 HN ALA 6 7.202 8.124 8.793 39 HA ALA 6 HA ALA 6 8.300 10.743 8.124 40 HB1 ALA 6 HB1 ALA 6 7.413 11.425 10.338 41 HB2 ALA 6 HB2 ALA 6 6.976 9.750 10.691 42 HB3 ALA 6 HB3 ALA 6 6.173 10.616 9.378 43 H VAL 7 HN VAL 7 10.411 11.206 8.519 44 HA VAL 7 HA VAL 7 12.007 9.185 9.977 45 HB VAL 7 HB VAL 7 13.800 9.567 8.440 46 HG11 VAL 7 HG11 VAL 7 11.980 8.175 7.534 47 HG12 VAL 7 HG12 VAL 7 12.765 9.081 6.241 48 HG13 VAL 7 HG13 VAL 7 11.197 9.606 6.856 49 HG21 VAL 7 HG21 VAL 7 12.262 11.951 7.351 50 HG22 VAL 7 HG22 VAL 7 13.781 11.327 6.700 51 HG23 VAL 7 HG23 VAL 7 13.733 12.016 8.323 52 H GLU 8 HN GLU 8 13.972 9.887 11.037 53 HA GLU 8 HA GLU 8 13.557 12.073 12.813 54 HB2 GLU 8 HB2 GLU 8 14.712 10.037 13.525 55 HB3 GLU 8 HB1 GLU 8 16.011 10.321 12.370 56 HG2 GLU 8 HG2 GLU 8 16.823 12.195 13.603 57 HG3 GLU 8 HG1 GLU 8 15.355 12.279 14.580 58 H SER 9 HN SER 9 16.070 11.477 10.326 59 HA SER 9 HA SER 9 16.193 14.227 9.470 60 HB2 SER 9 HB2 SER 9 18.552 13.063 11.038 61 HB3 SER 9 HB1 SER 9 18.684 14.494 10.020 62 HG SER 9 HG SER 9 16.639 14.741 11.792 63 H ILE 10 HN ILE 10 17.983 14.473 7.761 64 HA ILE 10 HA ILE 10 18.766 12.037 6.363 65 HB ILE 10 HB ILE 10 19.692 14.934 6.017 66 HG12 ILE 10 HG12 ILE 10 17.321 14.628 5.391 67 HG13 ILE 10 HG11 ILE 10 18.312 14.988 3.982 68 HG21 ILE 10 HG21 ILE 10 21.450 13.412 5.263 69 HG22 ILE 10 HG22 ILE 10 20.709 14.217 3.880 70 HG23 ILE 10 HG23 ILE 10 20.295 12.541 4.246 71 HD11 ILE 10 HD11 ILE 10 16.671 13.310 3.462 72 HD12 ILE 10 HD12 ILE 10 17.241 12.280 4.772 73 HD13 ILE 10 HD13 ILE 10 18.281 12.597 3.379 74 H ARG 11 HN ARG 11 20.382 10.807 7.206 75 HA ARG 11 HA ARG 11 22.203 11.665 9.253 76 HB2 ARG 11 HB2 ARG 11 21.291 9.252 8.751 77 HB3 ARG 11 HB1 ARG 11 22.557 9.155 7.545 78 HG2 ARG 11 HG2 ARG 11 22.992 9.555 10.535 79 HG3 ARG 11 HG1 ARG 11 23.160 8.028 9.673 80 HD2 ARG 11 HD2 ARG 11 25.008 9.090 8.318 81 HD3 ARG 11 HD1 ARG 11 24.887 10.509 9.362 82 HE ARG 11 HE ARG 11 25.300 8.042 10.793 83 HH11 ARG 11 HH11 ARG 11 26.964 10.719 9.212 84 HH12 ARG 11 HH12 ARG 11 28.465 10.376 10.006 85 HH21 ARG 11 HH21 ARG 11 27.267 7.630 11.778 86 HH22 ARG 11 HH22 ARG 11 28.636 8.637 11.438 87 H LYS 12 HN LYS 12 22.796 10.519 5.882 88 HA LYS 12 HA LYS 12 24.939 12.542 5.542 89 HB2 LYS 12 HB2 LYS 12 25.048 9.622 4.657 90 HB3 LYS 12 HB1 LYS 12 26.144 10.861 4.045 91 HG2 LYS 12 HG2 LYS 12 26.957 11.229 6.379 92 HG3 LYS 12 HG1 LYS 12 25.926 9.897 6.912 93 HD2 LYS 12 HD2 LYS 12 27.166 8.332 5.472 94 HD3 LYS 12 HD1 LYS 12 28.158 9.657 4.852 95 HE2 LYS 12 HE2 LYS 12 29.065 10.019 7.135 96 HE3 LYS 12 HE1 LYS 12 28.097 8.664 7.726 97 HZ1 LYS 12 HZ1 LYS 12 30.376 8.026 7.266 98 HZ2 LYS 12 HZ2 LYS 12 30.213 8.500 5.653 99 HZ3 LYS 12 HZ3 LYS 12 29.310 7.202 6.252 100 H LYS 13 HN LYS 13 25.427 12.987 3.295 101 HA LYS 13 HA LYS 13 23.298 12.648 1.323 102 HB2 LYS 13 HB2 LYS 13 22.556 14.649 2.552 103 HB3 LYS 13 HB1 LYS 13 24.164 15.360 2.448 104 HG2 LYS 13 HG2 LYS 13 23.875 15.450 -0.067 105 HG3 LYS 13 HG1 LYS 13 22.204 14.912 0.165 106 HD2 LYS 13 HD2 LYS 13 21.768 16.928 1.559 107 HD3 LYS 13 HD1 LYS 13 23.435 17.457 1.304 108 HE2 LYS 13 HE2 LYS 13 22.970 17.585 -1.150 109 HE3 LYS 13 HE1 LYS 13 21.287 17.155 -0.828 110 HZ1 LYS 13 HZ1 LYS 13 21.143 19.143 0.574 111 HZ2 LYS 13 HZ2 LYS 13 21.497 19.505 -1.033 112 HZ3 LYS 13 HZ3 LYS 13 22.718 19.563 0.130 113 H ARG 14 HN ARG 14 24.129 12.836 -0.749 114 HA ARG 14 HA ARG 14 26.746 13.855 -1.363 115 HB2 ARG 14 HB2 ARG 14 27.818 11.699 -1.912 116 HB3 ARG 14 HB1 ARG 14 27.369 11.731 -0.207 117 HG2 ARG 14 HG2 ARG 14 25.333 10.399 -0.732 118 HG3 ARG 14 HG1 ARG 14 25.835 10.316 -2.423 119 HD2 ARG 14 HD2 ARG 14 27.398 9.221 -0.061 120 HD3 ARG 14 HD1 ARG 14 26.380 8.265 -1.147 121 HE ARG 14 HE ARG 14 28.686 9.782 -2.200 122 HH11 ARG 14 HH11 ARG 14 27.090 6.690 -1.746 123 HH12 ARG 14 HH12 ARG 14 28.236 5.824 -2.714 124 HH21 ARG 14 HH21 ARG 14 30.156 8.636 -3.491 125 HH22 ARG 14 HH22 ARG 14 29.965 6.923 -3.700 126 H VAL 15 HN VAL 15 27.364 12.839 -3.654 127 HA VAL 15 HA VAL 15 25.011 12.129 -5.246 128 HB VAL 15 HB VAL 15 25.238 14.534 -5.619 129 HG11 VAL 15 HG11 VAL 15 27.235 15.584 -6.611 130 HG12 VAL 15 HG12 VAL 15 28.094 14.044 -6.512 131 HG13 VAL 15 HG13 VAL 15 27.592 14.868 -5.036 132 HG21 VAL 15 HG21 VAL 15 24.523 13.161 -7.524 133 HG22 VAL 15 HG22 VAL 15 26.199 12.990 -8.051 134 HG23 VAL 15 HG23 VAL 15 25.422 14.576 -8.080 135 H ARG 16 HN ARG 16 25.420 10.415 -6.410 136 HA ARG 16 HA ARG 16 28.158 9.377 -6.776 137 HB2 ARG 16 HB2 ARG 16 27.012 8.229 -4.920 138 HB3 ARG 16 HB1 ARG 16 25.606 7.921 -5.929 139 HG2 ARG 16 HG2 ARG 16 27.006 6.420 -7.358 140 HG3 ARG 16 HG1 ARG 16 28.367 6.676 -6.258 141 HD2 ARG 16 HD2 ARG 16 27.103 5.680 -4.417 142 HD3 ARG 16 HD1 ARG 16 25.673 5.517 -5.443 143 HE ARG 16 HE ARG 16 27.861 4.115 -6.594 144 HH11 ARG 16 HH11 ARG 16 25.594 3.834 -3.909 145 HH12 ARG 16 HH12 ARG 16 25.712 2.105 -3.848 146 HH21 ARG 16 HH21 ARG 16 27.970 1.870 -6.513 147 HH22 ARG 16 HH22 ARG 16 27.045 0.992 -5.335 148 H LYS 17 HN LYS 17 28.475 9.623 -8.929 149 HA LYS 17 HA LYS 17 28.356 9.365 -11.197 150 HB2 LYS 17 HB2 LYS 17 26.061 7.434 -10.662 151 HB3 LYS 17 HB1 LYS 17 26.968 7.569 -12.167 152 HG2 LYS 17 HG2 LYS 17 28.926 6.604 -11.194 153 HG3 LYS 17 HG1 LYS 17 28.296 6.794 -9.554 154 HD2 LYS 17 HD2 LYS 17 27.130 4.929 -11.665 155 HD3 LYS 17 HD1 LYS 17 28.186 4.439 -10.335 156 HE2 LYS 17 HE2 LYS 17 26.493 5.139 -8.693 157 HE3 LYS 17 HE1 LYS 17 25.463 5.752 -9.989 158 HZ1 LYS 17 HZ1 LYS 17 26.232 2.926 -9.566 159 HZ2 LYS 17 HZ2 LYS 17 25.281 3.501 -10.841 160 HZ3 LYS 17 HZ3 LYS 17 24.722 3.613 -9.250 161 H GLY 18 HN GLY 18 26.705 11.392 -9.776 162 HA2 GLY 18 HA2 GLY 18 25.433 13.173 -10.656 163 HA3 GLY 18 HA1 GLY 18 24.865 12.139 -11.955 164 H LYS 19 HN LYS 19 24.356 10.094 -9.593 165 HA LYS 19 HA LYS 19 21.588 10.868 -9.077 166 HB2 LYS 19 HB2 LYS 19 23.264 8.403 -8.464 167 HB3 LYS 19 HB1 LYS 19 21.668 8.608 -7.760 168 HG2 LYS 19 HG2 LYS 19 22.208 8.572 -10.747 169 HG3 LYS 19 HG1 LYS 19 21.750 7.154 -9.797 170 HD2 LYS 19 HD2 LYS 19 20.088 9.659 -10.268 171 HD3 LYS 19 HD1 LYS 19 19.778 8.043 -10.907 172 HE2 LYS 19 HE2 LYS 19 19.580 8.949 -8.014 173 HE3 LYS 19 HE1 LYS 19 18.264 8.428 -9.063 174 HZ1 LYS 19 HZ1 LYS 19 19.270 6.201 -9.095 175 HZ2 LYS 19 HZ2 LYS 19 18.848 6.686 -7.533 176 HZ3 LYS 19 HZ3 LYS 19 20.463 6.722 -8.024 177 H VAL 20 HN VAL 20 21.231 12.295 -7.451 178 HA VAL 20 HA VAL 20 23.044 12.713 -5.258 179 HB VAL 20 HB VAL 20 20.193 13.780 -5.545 180 HG11 VAL 20 HG11 VAL 20 20.941 15.565 -3.995 181 HG12 VAL 20 HG12 VAL 20 22.518 14.787 -3.854 182 HG13 VAL 20 HG13 VAL 20 21.076 13.970 -3.245 183 HG21 VAL 20 HG21 VAL 20 21.524 14.423 -7.515 184 HG22 VAL 20 HG22 VAL 20 22.798 15.059 -6.469 185 HG23 VAL 20 HG23 VAL 20 21.210 15.830 -6.494 186 H GLU 21 HN GLU 21 23.163 11.382 -3.553 187 HA GLU 21 HA GLU 21 20.917 9.553 -2.934 188 HB2 GLU 21 HB2 GLU 21 23.915 9.184 -2.525 189 HB3 GLU 21 HB1 GLU 21 22.681 8.027 -2.025 190 HG2 GLU 21 HG2 GLU 21 23.265 8.879 -4.880 191 HG3 GLU 21 HG1 GLU 21 23.762 7.360 -4.138 192 H TYR 22 HN TYR 22 20.332 9.176 -0.829 193 HA TYR 22 HA TYR 22 21.344 11.002 1.271 194 HB2 TYR 22 HB2 TYR 22 18.441 10.446 0.511 195 HB3 TYR 22 HB1 TYR 22 18.913 11.211 2.024 196 HD1 TYR 22 HD1 TYR 22 18.646 11.687 -1.639 197 HD2 TYR 22 HD2 TYR 22 19.729 13.512 2.069 198 HE1 TYR 22 HE1 TYR 22 18.659 13.894 -2.720 199 HE2 TYR 22 HE2 TYR 22 19.729 15.711 0.994 200 HH TYR 22 HH TYR 22 18.379 16.305 -2.004 201 H LEU 23 HN LEU 23 22.245 9.644 2.718 202 HA LEU 23 HA LEU 23 21.121 7.136 3.582 203 HB2 LEU 23 HB2 LEU 23 23.556 7.795 3.829 204 HB3 LEU 23 HB1 LEU 23 23.082 8.978 5.029 205 HG LEU 23 HG LEU 23 22.283 7.149 6.513 206 HD11 LEU 23 HD11 LEU 23 21.659 5.518 4.812 207 HD12 LEU 23 HD12 LEU 23 22.763 4.814 5.985 208 HD13 LEU 23 HD13 LEU 23 23.357 5.280 4.389 209 HD21 LEU 23 HD21 LEU 23 25.159 6.767 5.596 210 HD22 LEU 23 HD22 LEU 23 24.482 6.237 7.141 211 HD23 LEU 23 HD23 LEU 23 24.595 7.958 6.775 212 H VAL 24 HN VAL 24 18.989 7.458 4.179 213 HA VAL 24 HA VAL 24 18.225 9.794 5.737 214 HB VAL 24 HB VAL 24 16.502 7.561 4.586 215 HG11 VAL 24 HG11 VAL 24 14.584 9.080 4.991 216 HG12 VAL 24 HG12 VAL 24 15.658 10.234 5.784 217 HG13 VAL 24 HG13 VAL 24 15.380 8.648 6.509 218 HG21 VAL 24 HG21 VAL 24 15.906 9.227 2.862 219 HG22 VAL 24 HG22 VAL 24 17.632 8.861 2.840 220 HG23 VAL 24 HG23 VAL 24 17.056 10.365 3.563 221 H LYS 25 HN LYS 25 18.283 9.767 7.857 222 HA LYS 25 HA LYS 25 18.643 7.388 9.411 223 HB2 LYS 25 HB2 LYS 25 19.817 9.448 10.026 224 HB3 LYS 25 HB1 LYS 25 18.294 10.301 10.231 225 HG2 LYS 25 HG2 LYS 25 19.332 9.673 12.384 226 HG3 LYS 25 HG1 LYS 25 17.731 8.957 12.168 227 HD2 LYS 25 HD2 LYS 25 18.792 6.801 11.530 228 HD3 LYS 25 HD1 LYS 25 20.391 7.516 11.751 229 HE2 LYS 25 HE2 LYS 25 18.279 7.085 13.892 230 HE3 LYS 25 HE1 LYS 25 19.798 6.202 13.715 231 HZ1 LYS 25 HZ1 LYS 25 19.997 7.865 15.426 232 HZ2 LYS 25 HZ2 LYS 25 19.502 9.083 14.369 233 HZ3 LYS 25 HZ3 LYS 25 20.979 8.302 14.124 234 H TRP 26 HN TRP 26 17.030 6.110 9.909 235 HA TRP 26 HA TRP 26 14.249 6.945 9.993 236 HB2 TRP 26 HB2 TRP 26 15.354 4.181 10.647 237 HB3 TRP 26 HB1 TRP 26 13.727 4.597 10.105 238 HD1 TRP 26 HD1 TRP 26 16.989 3.430 8.816 239 HE1 TRP 26 HE1 TRP 26 17.052 3.505 6.252 240 HE3 TRP 26 HE3 TRP 26 12.767 6.176 7.974 241 HZ2 TRP 26 HZ2 TRP 26 15.545 4.600 4.156 242 HZ3 TRP 26 HZ3 TRP 26 12.146 6.693 5.649 243 HH2 TRP 26 HH2 TRP 26 13.508 5.918 3.777 244 H LYS 27 HN LYS 27 13.049 7.184 11.829 245 HA LYS 27 HA LYS 27 14.562 7.678 14.266 246 HB2 LYS 27 HB2 LYS 27 12.811 9.249 13.266 247 HB3 LYS 27 HB1 LYS 27 11.580 8.105 13.800 248 HG2 LYS 27 HG2 LYS 27 12.126 8.476 16.112 249 HG3 LYS 27 HG1 LYS 27 13.586 9.378 15.683 250 HD2 LYS 27 HD2 LYS 27 12.113 11.124 14.615 251 HD3 LYS 27 HD1 LYS 27 10.706 10.249 15.233 252 HE2 LYS 27 HE2 LYS 27 11.329 12.158 16.680 253 HE3 LYS 27 HE1 LYS 27 11.464 10.625 17.538 254 HZ1 LYS 27 HZ1 LYS 27 13.342 12.096 17.956 255 HZ2 LYS 27 HZ2 LYS 27 13.728 12.105 16.313 256 HZ3 LYS 27 HZ3 LYS 27 13.845 10.673 17.201 257 H GLY 28 HN GLY 28 14.907 6.065 15.647 258 HA2 GLY 28 HA2 GLY 28 14.019 4.500 17.294 259 HA3 GLY 28 HA1 GLY 28 12.847 3.951 16.100 260 H TRP 29 HN TRP 29 15.256 4.278 14.133 261 HA TRP 29 HA TRP 29 16.385 1.569 14.534 262 HB2 TRP 29 HB2 TRP 29 16.076 3.203 11.963 263 HB3 TRP 29 HB1 TRP 29 16.784 1.594 12.069 264 HD1 TRP 29 HD1 TRP 29 13.337 3.117 13.168 265 HE1 TRP 29 HE1 TRP 29 11.491 1.491 12.448 266 HE3 TRP 29 HE3 TRP 29 16.217 -0.478 10.940 267 HZ2 TRP 29 HZ2 TRP 29 11.261 -0.973 11.104 268 HZ3 TRP 29 HZ3 TRP 29 15.102 -2.429 9.943 269 HH2 TRP 29 HH2 TRP 29 12.669 -2.675 10.020 270 HA PRO 30 HA PRO 30 20.281 3.678 15.386 271 HB2 PRO 30 HB2 PRO 30 22.001 1.527 14.890 272 HB3 PRO 30 HB1 PRO 30 21.126 1.798 16.404 273 HG2 PRO 30 HG2 PRO 30 20.412 0.015 14.103 274 HG3 PRO 30 HG1 PRO 30 20.307 -0.318 15.842 275 HD2 PRO 30 HD2 PRO 30 18.112 0.332 14.415 276 HD3 PRO 30 HD1 PRO 30 18.321 0.914 16.083 277 HA PRO 31 HA PRO 31 21.832 5.403 11.564 278 HB2 PRO 31 HB2 PRO 31 24.593 4.976 12.725 279 HB3 PRO 31 HB1 PRO 31 23.886 6.430 11.997 280 HG2 PRO 31 HG2 PRO 31 24.061 6.248 14.635 281 HG3 PRO 31 HG1 PRO 31 22.586 6.910 13.897 282 HD2 PRO 31 HD2 PRO 31 23.050 4.186 15.101 283 HD3 PRO 31 HD1 PRO 31 21.615 5.232 15.188 284 H LYS 32 HN LYS 32 23.074 2.235 12.461 285 HA LYS 32 HA LYS 32 24.328 1.711 9.892 286 HB2 LYS 32 HB2 LYS 32 24.552 -0.635 10.718 287 HB3 LYS 32 HB1 LYS 32 25.220 0.561 11.824 288 HG2 LYS 32 HG2 LYS 32 23.145 0.392 13.205 289 HG3 LYS 32 HG1 LYS 32 22.567 -0.883 12.124 290 HD2 LYS 32 HD2 LYS 32 24.477 -2.303 12.743 291 HD3 LYS 32 HD1 LYS 32 25.129 -1.021 13.769 292 HE2 LYS 32 HE2 LYS 32 23.152 -1.172 15.232 293 HE3 LYS 32 HE1 LYS 32 22.457 -2.414 14.187 294 HZ1 LYS 32 HZ1 LYS 32 24.977 -2.651 15.732 295 HZ2 LYS 32 HZ2 LYS 32 24.342 -3.838 14.713 296 HZ3 LYS 32 HZ3 LYS 32 23.503 -3.383 16.109 297 H TYR 33 HN TYR 33 21.190 1.010 11.393 298 HA TYR 33 HA TYR 33 20.106 -0.426 9.118 299 HB2 TYR 33 HB2 TYR 33 18.918 0.641 11.701 300 HB3 TYR 33 HB1 TYR 33 17.868 0.064 10.417 301 HD1 TYR 33 HD1 TYR 33 20.610 -1.015 12.715 302 HD2 TYR 33 HD2 TYR 33 17.461 -2.280 10.126 303 HE1 TYR 33 HE1 TYR 33 20.833 -3.311 13.563 304 HE2 TYR 33 HE2 TYR 33 17.691 -4.572 10.963 305 HH TYR 33 HH TYR 33 19.367 -5.983 12.055 306 H SER 34 HN SER 34 20.611 2.908 9.863 307 HA SER 34 HA SER 34 18.746 4.155 8.149 308 HB2 SER 34 HB2 SER 34 20.204 5.445 9.681 309 HB3 SER 34 HB1 SER 34 21.626 4.932 8.782 310 HG SER 34 HG SER 34 19.696 6.139 7.236 311 H THR 35 HN THR 35 18.679 4.345 5.883 312 HA THR 35 HA THR 35 20.716 2.826 4.345 313 HB THR 35 HB THR 35 18.681 1.966 2.941 314 HG1 THR 35 HG1 THR 35 17.111 3.308 3.978 315 HG21 THR 35 HG21 THR 35 20.032 0.455 4.374 316 HG22 THR 35 HG22 THR 35 18.321 0.017 4.417 317 HG23 THR 35 HG23 THR 35 19.042 0.898 5.765 318 H TRP 36 HN TRP 36 20.429 3.166 1.930 319 HA TRP 36 HA TRP 36 20.466 6.065 1.468 320 HB2 TRP 36 HB2 TRP 36 21.809 3.783 -0.067 321 HB3 TRP 36 HB1 TRP 36 21.894 5.481 -0.523 322 HD1 TRP 36 HD1 TRP 36 23.362 2.978 1.997 323 HE1 TRP 36 HE1 TRP 36 25.379 4.082 3.156 324 HE3 TRP 36 HE3 TRP 36 22.825 7.751 0.220 325 HZ2 TRP 36 HZ2 TRP 36 26.585 6.633 3.305 326 HZ3 TRP 36 HZ3 TRP 36 24.447 9.464 0.923 327 HH2 TRP 36 HH2 TRP 36 26.290 8.916 2.436 328 H GLU 37 HN GLU 37 18.644 6.749 0.530 329 HA GLU 37 HA GLU 37 17.718 5.393 -1.941 330 HB2 GLU 37 HB2 GLU 37 16.048 7.116 -0.085 331 HB3 GLU 37 HB1 GLU 37 15.482 6.346 -1.554 332 HG2 GLU 37 HG2 GLU 37 14.582 5.025 0.131 333 HG3 GLU 37 HG1 GLU 37 16.027 4.120 -0.334 334 HA PRO 38 HA PRO 38 19.009 9.111 -3.954 335 HB2 PRO 38 HB2 PRO 38 17.442 9.260 -6.153 336 HB3 PRO 38 HB1 PRO 38 18.573 7.916 -5.914 337 HG2 PRO 38 HG2 PRO 38 15.610 8.010 -5.324 338 HG3 PRO 38 HG1 PRO 38 16.520 6.781 -6.229 339 HD2 PRO 38 HD2 PRO 38 15.877 6.430 -3.617 340 HD3 PRO 38 HD1 PRO 38 17.400 5.814 -4.298 341 H GLU 39 HN GLU 39 18.233 11.103 -5.075 342 HA GLU 39 HA GLU 39 16.923 12.992 -3.574 343 HB2 GLU 39 HB2 GLU 39 16.854 14.279 -5.746 344 HB3 GLU 39 HB1 GLU 39 18.409 13.520 -5.406 345 HG2 GLU 39 HG2 GLU 39 17.671 11.586 -6.910 346 HG3 GLU 39 HG1 GLU 39 16.303 12.585 -7.384 347 H GLU 40 HN GLU 40 15.539 10.662 -5.769 348 HA GLU 40 HA GLU 40 13.121 11.862 -6.502 349 HB2 GLU 40 HB2 GLU 40 14.092 9.941 -7.675 350 HB3 GLU 40 HB1 GLU 40 13.886 8.924 -6.252 351 HG2 GLU 40 HG2 GLU 40 11.418 9.155 -6.487 352 HG3 GLU 40 HG1 GLU 40 11.667 10.110 -7.946 353 H HIS 41 HN HIS 41 13.874 9.703 -3.759 354 HA HIS 41 HA HIS 41 11.113 9.274 -3.051 355 HB2 HIS 41 HB2 HIS 41 11.884 7.628 -1.642 356 HB3 HIS 41 HB1 HIS 41 13.291 7.755 -2.676 357 HD1 HIS 41 HD1 HIS 41 14.897 9.960 -1.506 358 HD2 HIS 41 HD2 HIS 41 12.773 7.319 0.884 359 HE1 HIS 41 HE1 HIS 41 16.011 10.043 0.729 360 HE2 HIS 41 HE2 HIS 41 14.902 8.200 2.032 361 H ILE 42 HN ILE 42 13.326 11.738 -2.334 362 HA ILE 42 HA ILE 42 12.449 12.626 0.226 363 HB ILE 42 HB ILE 42 13.694 14.215 -2.080 364 HG12 ILE 42 HG12 ILE 42 15.138 12.329 -1.243 365 HG13 ILE 42 HG11 ILE 42 15.861 13.914 -1.011 366 HG21 ILE 42 HG21 ILE 42 14.339 15.899 -0.373 367 HG22 ILE 42 HG22 ILE 42 13.437 15.002 0.849 368 HG23 ILE 42 HG23 ILE 42 12.588 15.738 -0.511 369 HD11 ILE 42 HD11 ILE 42 16.251 12.447 0.888 370 HD12 ILE 42 HD12 ILE 42 14.514 12.270 1.136 371 HD13 ILE 42 HD13 ILE 42 15.285 13.844 1.358 372 H LEU 43 HN LEU 43 10.254 12.949 0.474 373 HA LEU 43 HA LEU 43 8.669 14.276 -1.614 374 HB2 LEU 43 HB2 LEU 43 7.682 13.421 1.138 375 HB3 LEU 43 HB1 LEU 43 6.730 13.716 -0.312 376 HG LEU 43 HG LEU 43 8.535 11.327 0.250 377 HD11 LEU 43 HD11 LEU 43 6.385 11.247 1.394 378 HD12 LEU 43 HD12 LEU 43 6.467 10.024 0.138 379 HD13 LEU 43 HD13 LEU 43 5.528 11.492 -0.129 380 HD21 LEU 43 HD21 LEU 43 7.846 10.412 -1.920 381 HD22 LEU 43 HD22 LEU 43 8.764 11.901 -2.109 382 HD23 LEU 43 HD23 LEU 43 7.008 11.918 -2.306 383 H ASP 44 HN ASP 44 9.533 14.664 1.806 384 HA ASP 44 HA ASP 44 8.424 17.310 2.061 385 HB2 ASP 44 HB2 ASP 44 8.330 15.767 3.953 386 HB3 ASP 44 HB1 ASP 44 10.084 15.583 3.942 387 HA PRO 45 HA PRO 45 12.257 19.398 0.668 388 HB2 PRO 45 HB2 PRO 45 11.470 21.970 1.194 389 HB3 PRO 45 HB1 PRO 45 10.900 21.066 -0.215 390 HG2 PRO 45 HG2 PRO 45 9.528 21.481 2.444 391 HG3 PRO 45 HG1 PRO 45 8.853 21.631 0.808 392 HD2 PRO 45 HD2 PRO 45 8.459 19.412 2.298 393 HD3 PRO 45 HD1 PRO 45 8.662 19.315 0.533 394 H ARG 46 HN ARG 46 10.693 20.046 3.785 395 HA ARG 46 HA ARG 46 12.813 21.439 5.054 396 HB2 ARG 46 HB2 ARG 46 10.438 19.880 6.157 397 HB3 ARG 46 HB1 ARG 46 11.559 20.755 7.196 398 HG2 ARG 46 HG2 ARG 46 9.843 22.006 5.024 399 HG3 ARG 46 HG1 ARG 46 9.505 22.040 6.758 400 HD2 ARG 46 HD2 ARG 46 11.743 23.203 7.066 401 HD3 ARG 46 HD1 ARG 46 11.828 23.350 5.308 402 HE ARG 46 HE ARG 46 9.532 24.545 5.667 403 HH11 ARG 46 HH11 ARG 46 12.368 24.848 7.722 404 HH12 ARG 46 HH12 ARG 46 11.959 26.445 8.260 405 HH21 ARG 46 HH21 ARG 46 8.994 26.639 6.394 406 HH22 ARG 46 HH22 ARG 46 10.031 27.459 7.516 407 H LEU 47 HN LEU 47 12.285 18.064 4.468 408 HA LEU 47 HA LEU 47 13.860 16.839 6.410 409 HB2 LEU 47 HB2 LEU 47 12.384 15.599 4.945 410 HB3 LEU 47 HB1 LEU 47 13.286 16.092 3.524 411 HG LEU 47 HG LEU 47 15.145 14.657 4.106 412 HD11 LEU 47 HD11 LEU 47 15.168 13.221 6.102 413 HD12 LEU 47 HD12 LEU 47 13.711 14.021 6.698 414 HD13 LEU 47 HD13 LEU 47 15.212 14.934 6.517 415 HD21 LEU 47 HD21 LEU 47 13.278 13.586 2.920 416 HD22 LEU 47 HD22 LEU 47 12.536 13.142 4.461 417 HD23 LEU 47 HD23 LEU 47 14.087 12.440 3.993 418 H VAL 48 HN VAL 48 14.851 18.012 3.175 419 HA VAL 48 HA VAL 48 17.662 17.464 3.656 420 HB VAL 48 HB VAL 48 16.400 19.008 1.348 421 HG11 VAL 48 HG11 VAL 48 18.823 19.480 1.583 422 HG12 VAL 48 HG12 VAL 48 18.516 18.517 0.134 423 HG13 VAL 48 HG13 VAL 48 19.167 17.746 1.581 424 HG21 VAL 48 HG21 VAL 48 15.495 16.716 1.456 425 HG22 VAL 48 HG22 VAL 48 17.134 16.059 1.513 426 HG23 VAL 48 HG23 VAL 48 16.569 16.890 0.062 427 H MET 49 HN MET 49 15.536 20.286 3.510 428 HA MET 49 HA MET 49 17.440 22.349 3.560 429 HB2 MET 49 HB2 MET 49 14.502 22.252 4.357 430 HB3 MET 49 HB1 MET 49 15.437 23.750 4.427 431 HG2 MET 49 HG2 MET 49 15.822 23.660 2.029 432 HG3 MET 49 HG1 MET 49 15.009 22.090 1.930 433 HE1 MET 49 HE1 MET 49 14.190 24.642 0.100 434 HE2 MET 49 HE2 MET 49 12.432 24.519 0.174 435 HE3 MET 49 HE3 MET 49 13.414 23.065 -0.016 436 H ALA 50 HN ALA 50 15.699 20.823 6.287 437 HA ALA 50 HA ALA 50 16.930 22.408 8.346 438 HB1 ALA 50 HB1 ALA 50 14.746 21.318 8.702 439 HB2 ALA 50 HB2 ALA 50 15.908 20.831 9.936 440 HB3 ALA 50 HB3 ALA 50 15.505 19.730 8.612 441 H TYR 51 HN TYR 51 17.795 19.411 6.715 442 HA TYR 51 HA TYR 51 19.936 18.659 8.454 443 HB2 TYR 51 HB2 TYR 51 19.148 16.952 7.005 444 HB3 TYR 51 HB1 TYR 51 19.216 17.991 5.588 445 HD1 TYR 51 HD1 TYR 51 21.444 16.248 8.086 446 HD2 TYR 51 HD2 TYR 51 21.114 17.936 4.176 447 HE1 TYR 51 HE1 TYR 51 23.676 15.386 7.518 448 HE2 TYR 51 HE2 TYR 51 23.332 17.088 3.616 449 HH TYR 51 HH TYR 51 24.992 14.803 5.570 450 H GLU 52 HN GLU 52 19.705 20.866 5.672 451 HA GLU 52 HA GLU 52 22.450 21.123 5.113 452 HB2 GLU 52 HB2 GLU 52 20.267 23.217 4.681 453 HB3 GLU 52 HB1 GLU 52 21.880 23.243 3.978 454 HG2 GLU 52 HG2 GLU 52 19.799 21.125 3.426 455 HG3 GLU 52 HG1 GLU 52 20.137 22.503 2.387 456 H GLU 53 HN GLU 53 20.370 23.421 6.926 457 HA GLU 53 HA GLU 53 20.724 24.972 8.522 458 HB2 GLU 53 HB2 GLU 53 22.959 23.085 9.339 459 HB3 GLU 53 HB1 GLU 53 22.478 24.477 10.303 460 HG2 GLU 53 HG2 GLU 53 20.731 22.103 9.594 461 HG3 GLU 53 HG1 GLU 53 21.494 22.400 11.154 462 H LYS 54 HN LYS 54 22.544 24.994 5.940 463 HA LYS 54 HA LYS 54 24.898 26.454 6.726 464 HB2 LYS 54 HB2 LYS 54 25.264 26.696 4.248 465 HB3 LYS 54 HB1 LYS 54 25.070 25.034 4.784 466 HG2 LYS 54 HG2 LYS 54 22.791 24.961 3.945 467 HG3 LYS 54 HG1 LYS 54 22.853 26.679 3.533 468 HD2 LYS 54 HD2 LYS 54 24.529 26.255 1.816 469 HD3 LYS 54 HD1 LYS 54 24.638 24.557 2.287 470 HE2 LYS 54 HE2 LYS 54 23.283 24.884 0.237 471 HE3 LYS 54 HE1 LYS 54 22.344 24.161 1.544 472 HZ1 LYS 54 HZ1 LYS 54 22.301 27.026 0.750 473 HZ2 LYS 54 HZ2 LYS 54 21.402 26.342 2.004 474 HZ3 LYS 54 HZ3 LYS 54 21.105 25.882 0.409 475 H GLU 55 HN GLU 55 25.376 28.598 6.350 476 HA GLU 55 HA GLU 55 23.251 30.516 6.440 477 HB2 GLU 55 HB2 GLU 55 26.261 30.926 6.151 478 HB3 GLU 55 HB1 GLU 55 25.094 32.221 6.387 479 HG2 GLU 55 HG2 GLU 55 25.979 31.887 8.520 480 HG3 GLU 55 HG1 GLU 55 24.449 31.025 8.575 481 H GLU 56 HN GLU 56 22.078 30.297 4.589 482 HA GLU 56 HA GLU 56 23.086 30.207 1.935 483 HB2 GLU 56 HB2 GLU 56 20.884 29.277 2.629 484 HB3 GLU 56 HB1 GLU 56 20.290 30.899 2.927 485 HG2 GLU 56 HG2 GLU 56 19.394 30.173 0.830 486 HG3 GLU 56 HG1 GLU 56 20.608 31.404 0.483 487 H1 ALA 1 HT1 ALA 1 5.258 12.800 17.158 488 H2 ALA 1 HT2 ALA 1 5.330 11.236 16.525 489 H3 ALA 1 HT3 ALA 1 4.246 12.360 15.885 490 HA ALA 1 HA ALA 1 7.186 12.581 15.805 491 HB1 ALA 1 HB1 ALA 1 6.376 10.765 14.342 492 HB2 ALA 1 HB2 ALA 1 7.005 12.117 13.393 493 HB3 ALA 1 HB3 ALA 1 5.261 11.889 13.556 494 H ARG 2 HN ARG 2 7.416 14.717 16.287 495 HA ARG 2 HA ARG 2 5.704 16.828 15.329 496 HB2 ARG 2 HB2 ARG 2 8.512 16.945 16.532 497 HB3 ARG 2 HB1 ARG 2 7.491 18.350 16.235 498 HG2 ARG 2 HG2 ARG 2 6.890 16.093 18.185 499 HG3 ARG 2 HG1 ARG 2 7.478 17.704 18.607 500 HD2 ARG 2 HD2 ARG 2 5.392 18.684 17.680 501 HD3 ARG 2 HD1 ARG 2 4.806 17.055 17.313 502 HE ARG 2 HE ARG 2 5.513 17.625 20.102 503 HH11 ARG 2 HH11 ARG 2 2.932 17.250 17.747 504 HH12 ARG 2 HH12 ARG 2 1.690 17.116 18.953 505 HH21 ARG 2 HH21 ARG 2 3.883 17.459 21.672 506 HH22 ARG 2 HH22 ARG 2 2.233 17.228 21.191 507 H THR 3 HN THR 3 8.945 15.622 14.485 508 HA THR 3 HA THR 3 9.174 17.294 12.120 509 HB THR 3 HB THR 3 11.361 16.078 11.803 510 HG1 THR 3 HG1 THR 3 11.064 14.123 12.757 511 HG21 THR 3 HG21 THR 3 11.317 18.176 13.115 512 HG22 THR 3 HG22 THR 3 12.521 17.052 13.756 513 HG23 THR 3 HG23 THR 3 10.973 17.252 14.581 514 H LYS 4 HN LYS 4 7.220 16.500 11.106 515 HA LYS 4 HA LYS 4 7.031 13.749 10.198 516 HB2 LYS 4 HB2 LYS 4 5.015 15.120 10.831 517 HB3 LYS 4 HB1 LYS 4 5.335 16.167 9.452 518 HG2 LYS 4 HG2 LYS 4 5.000 14.198 7.932 519 HG3 LYS 4 HG1 LYS 4 4.584 13.225 9.345 520 HD2 LYS 4 HD2 LYS 4 2.537 13.953 8.249 521 HD3 LYS 4 HD1 LYS 4 2.670 14.765 9.811 522 HE2 LYS 4 HE2 LYS 4 3.500 16.804 8.669 523 HE3 LYS 4 HE1 LYS 4 3.362 15.992 7.109 524 HZ1 LYS 4 HZ1 LYS 4 1.138 16.635 8.966 525 HZ2 LYS 4 HZ2 LYS 4 0.973 15.772 7.524 526 HZ3 LYS 4 HZ3 LYS 4 1.470 17.385 7.491 527 H GLN 5 HN GLN 5 9.048 13.676 9.100 528 HA GLN 5 HA GLN 5 9.321 15.179 6.565 529 HB2 GLN 5 HB2 GLN 5 11.394 13.639 8.183 530 HB3 GLN 5 HB1 GLN 5 11.714 14.569 6.716 531 HG2 GLN 5 HG2 GLN 5 11.231 16.640 7.818 532 HG3 GLN 5 HG1 GLN 5 10.578 15.818 9.237 533 HE21 GLN 5 HE21 GLN 5 12.049 14.721 10.620 534 HE22 GLN 5 HE22 GLN 5 13.706 15.193 10.691 535 H THR 6 HN THR 6 8.154 13.993 5.149 536 HA THR 6 HA THR 6 8.017 11.121 5.241 537 HB THR 6 HB THR 6 6.540 11.516 3.145 538 HG1 THR 6 HG1 THR 6 6.537 13.507 2.441 539 HG21 THR 6 HG21 THR 6 5.722 12.753 5.799 540 HG22 THR 6 HG22 THR 6 5.597 11.041 5.379 541 HG23 THR 6 HG23 THR 6 4.621 12.234 4.518 542 H ALA 7 HN ALA 7 9.380 9.826 4.377 543 HA ALA 7 HA ALA 7 10.587 10.279 1.731 544 HB1 ALA 7 HB1 ALA 7 12.084 9.306 4.203 545 HB2 ALA 7 HB2 ALA 7 12.300 10.869 3.414 546 HB3 ALA 7 HB3 ALA 7 12.745 9.388 2.569 547 H ARG 8 HN ARG 8 10.119 8.530 0.443 548 HA ARG 8 HA ARG 8 8.987 6.109 1.706 549 HB2 ARG 8 HB2 ARG 8 9.097 6.549 -1.303 550 HB3 ARG 8 HB1 ARG 8 7.967 5.572 -0.363 551 HG2 ARG 8 HG2 ARG 8 7.090 7.785 0.595 552 HG3 ARG 8 HG1 ARG 8 8.044 8.591 -0.654 553 HD2 ARG 8 HD2 ARG 8 5.637 6.778 -0.978 554 HD3 ARG 8 HD1 ARG 8 5.848 8.436 -1.547 555 HE ARG 8 HE ARG 8 7.014 5.996 -2.729 556 HH11 ARG 8 HH11 ARG 8 6.336 9.425 -3.076 557 HH12 ARG 8 HH12 ARG 8 6.663 9.427 -4.774 558 HH21 ARG 8 HH21 ARG 8 7.371 6.004 -4.934 559 HH22 ARG 8 HH22 ARG 8 7.251 7.483 -5.837 560 H M3L 9 HN M3L 9 10.284 4.343 2.023 561 HA M3L 9 HA M3L 9 12.966 4.140 1.192 562 HB2 M3L 9 HB2 M3L 9 11.117 1.834 1.951 563 HB3 M3L 9 HB1 M3L 9 12.883 1.782 1.918 564 HG2 M3L 9 HG2 M3L 9 12.839 3.629 3.676 565 HG3 M3L 9 HG1 M3L 9 11.101 3.334 3.817 566 HD2 M3L 9 HD2 M3L 9 11.558 0.986 4.457 567 HD3 M3L 9 HD1 M3L 9 13.296 1.273 4.293 568 HE2 M3L 9 HE2 M3L 9 13.071 3.070 6.070 569 HE3 M3L 9 HE1 M3L 9 11.407 2.548 6.305 570 HM11 M3L 9 HH33 M3L 9 14.387 0.305 5.734 571 HM12 M3L 9 HH31 M3L 9 14.685 0.038 7.456 572 HM13 M3L 9 HH32 M3L 9 14.975 1.631 6.743 573 HM21 M3L 9 HH11 M3L 9 10.955 0.195 7.204 574 HM22 M3L 9 HH12 M3L 9 12.313 -0.817 7.704 575 HM23 M3L 9 HH13 M3L 9 12.015 -0.525 5.988 576 HM31 M3L 9 HH21 M3L 9 13.436 2.658 8.488 577 HM32 M3L 9 HH22 M3L 9 13.172 1.053 9.171 578 HM33 M3L 9 HH23 M3L 9 11.792 2.039 8.680 579 H SER 10 HN SER 10 10.011 2.842 -0.156 580 HA SER 10 HA SER 10 10.842 2.770 -2.839 581 HB2 SER 10 HB2 SER 10 12.162 0.771 -2.027 582 HB3 SER 10 HB1 SER 10 10.658 0.017 -1.506 583 HG SER 10 HG SER 10 11.786 -0.004 -3.912 584 H THR 11 HN THR 11 9.066 1.154 -4.010 585 HA THR 11 HA THR 11 6.394 1.642 -3.216 586 HB THR 11 HB THR 11 5.900 -0.366 -4.718 587 HG1 THR 11 HG1 THR 11 7.710 -1.617 -4.474 588 HG21 THR 11 HG21 THR 11 6.048 1.895 -5.716 589 HG22 THR 11 HG22 THR 11 6.669 0.665 -6.820 590 HG23 THR 11 HG23 THR 11 7.789 1.692 -5.921 591 H GLY 12 HN GLY 12 8.742 -0.889 -2.500 592 HA2 GLY 12 HA2 GLY 12 8.111 -1.362 0.110 593 HA3 GLY 12 HA1 GLY 12 7.072 -2.477 -0.779 594 H GLY 13 HN GLY 13 9.844 -2.483 0.857 595 HA2 GLY 13 HA2 GLY 13 11.645 -3.956 -0.772 596 HA3 GLY 13 HA1 GLY 13 11.592 -3.970 0.987 597 H LYS 14 HN LYS 14 8.931 -4.861 1.260 598 HA LYS 14 HA LYS 14 8.825 -7.559 0.056 599 HB2 LYS 14 HB2 LYS 14 8.357 -6.820 2.992 600 HB3 LYS 14 HB1 LYS 14 7.923 -8.379 2.291 601 HG2 LYS 14 HG2 LYS 14 10.286 -8.834 1.781 602 HG3 LYS 14 HG1 LYS 14 10.747 -7.258 2.431 603 HD2 LYS 14 HD2 LYS 14 10.054 -7.929 4.676 604 HD3 LYS 14 HD1 LYS 14 9.400 -9.453 4.061 605 HE2 LYS 14 HE2 LYS 14 12.340 -8.657 3.972 606 HE3 LYS 14 HE1 LYS 14 11.616 -9.748 5.153 607 HZ1 LYS 14 HZ1 LYS 14 12.682 -10.975 3.388 608 HZ2 LYS 14 HZ2 LYS 14 11.743 -10.205 2.219 609 HZ3 LYS 14 HZ3 LYS 14 11.015 -11.243 3.334 610 H ALA 15 HN ALA 15 6.577 -8.480 0.264 611 HA ALA 15 HA ALA 15 4.399 -6.496 0.391 612 HB1 ALA 15 HB1 ALA 15 3.468 -7.266 -1.765 613 HB2 ALA 15 HB2 ALA 15 4.856 -8.336 -1.998 614 HB3 ALA 15 HB3 ALA 15 5.079 -6.583 -1.983 Start of MODEL 14 1 H1 GLY 1 HT1 GLY 1 9.403 0.497 -4.580 2 H2 GLY 1 HT2 GLY 1 8.339 1.692 -5.115 3 H3 GLY 1 HT3 GLY 1 7.893 0.669 -3.843 4 HA2 GLY 1 HA1 GLY 1 9.605 1.581 -2.443 5 HA3 GLY 1 HA2 GLY 1 10.120 2.618 -3.770 6 H GLU 2 HN GLU 2 7.375 1.858 -1.651 7 HA GLU 2 HA GLU 2 6.513 4.699 -1.702 8 HB2 GLU 2 HB2 GLU 2 4.165 4.025 -1.766 9 HB3 GLU 2 HB1 GLU 2 5.002 3.291 -3.130 10 HG2 GLU 2 HG2 GLU 2 5.151 1.158 -1.840 11 HG3 GLU 2 HG1 GLU 2 4.215 1.905 -0.550 12 H GLN 3 HN GLN 3 7.837 2.412 0.173 13 HA GLN 3 HA GLN 3 5.978 2.220 2.380 14 HB2 GLN 3 HB2 GLN 3 8.831 1.195 2.040 15 HB3 GLN 3 HB1 GLN 3 7.828 0.858 3.445 16 HG2 GLN 3 HG2 GLN 3 7.750 -1.071 2.042 17 HG3 GLN 3 HG1 GLN 3 6.183 -0.279 1.911 18 HE21 GLN 3 HE21 GLN 3 5.707 -1.247 -0.074 19 HE22 GLN 3 HE22 GLN 3 6.539 -0.864 -1.534 20 H VAL 4 HN VAL 4 5.767 4.442 2.974 21 HA VAL 4 HA VAL 4 8.052 5.987 3.803 22 HB VAL 4 HB VAL 4 6.437 7.733 4.467 23 HG11 VAL 4 HG11 VAL 4 7.185 7.652 2.132 24 HG12 VAL 4 HG12 VAL 4 5.523 8.236 2.230 25 HG13 VAL 4 HG13 VAL 4 5.844 6.576 1.718 26 HG21 VAL 4 HG21 VAL 4 4.002 7.477 4.065 27 HG22 VAL 4 HG22 VAL 4 4.576 6.376 5.315 28 HG23 VAL 4 HG23 VAL 4 4.247 5.766 3.692 29 H PHE 5 HN PHE 5 8.993 6.013 5.738 30 HA PHE 5 HA PHE 5 7.491 5.198 8.175 31 HB2 PHE 5 HB2 PHE 5 10.420 4.683 7.468 32 HB3 PHE 5 HB1 PHE 5 9.806 4.548 9.110 33 HD1 PHE 5 HD1 PHE 5 9.180 3.195 5.652 34 HD2 PHE 5 HD2 PHE 5 9.029 2.447 9.857 35 HE1 PHE 5 HE1 PHE 5 8.562 0.857 5.218 36 HE2 PHE 5 HE2 PHE 5 8.409 0.108 9.414 37 HZ PHE 5 HZ PHE 5 8.170 -0.690 7.095 38 H ALA 6 HN ALA 6 8.338 6.239 10.165 39 HA ALA 6 HA ALA 6 8.516 9.080 9.857 40 HB1 ALA 6 HB1 ALA 6 8.527 9.135 12.313 41 HB2 ALA 6 HB2 ALA 6 8.771 7.387 12.363 42 HB3 ALA 6 HB3 ALA 6 7.270 8.051 11.713 43 H VAL 7 HN VAL 7 10.343 9.941 9.127 44 HA VAL 7 HA VAL 7 12.986 8.932 9.651 45 HB VAL 7 HB VAL 7 13.812 10.771 8.312 46 HG11 VAL 7 HG11 VAL 7 12.488 10.591 6.218 47 HG12 VAL 7 HG12 VAL 7 11.167 9.843 7.121 48 HG13 VAL 7 HG13 VAL 7 12.723 9.021 6.991 49 HG21 VAL 7 HG21 VAL 7 12.599 12.649 9.300 50 HG22 VAL 7 HG22 VAL 7 11.081 12.088 8.602 51 HG23 VAL 7 HG23 VAL 7 12.373 12.668 7.551 52 H GLU 8 HN GLU 8 14.596 9.918 10.927 53 HA GLU 8 HA GLU 8 13.888 11.813 13.010 54 HB2 GLU 8 HB2 GLU 8 15.645 10.002 13.262 55 HB3 GLU 8 HB1 GLU 8 16.649 10.858 12.102 56 HG2 GLU 8 HG2 GLU 8 16.675 12.819 13.680 57 HG3 GLU 8 HG1 GLU 8 15.792 11.830 14.845 58 H SER 9 HN SER 9 16.350 11.810 10.447 59 HA SER 9 HA SER 9 15.446 14.115 9.013 60 HB2 SER 9 HB2 SER 9 18.034 14.368 10.642 61 HB3 SER 9 HB1 SER 9 17.573 15.473 9.349 62 HG SER 9 HG SER 9 15.526 15.422 10.977 63 H ILE 10 HN ILE 10 17.800 14.640 7.565 64 HA ILE 10 HA ILE 10 18.676 12.087 6.461 65 HB ILE 10 HB ILE 10 19.643 14.920 5.835 66 HG12 ILE 10 HG12 ILE 10 17.260 14.731 5.286 67 HG13 ILE 10 HG11 ILE 10 18.206 14.804 3.807 68 HG21 ILE 10 HG21 ILE 10 20.080 12.342 4.285 69 HG22 ILE 10 HG22 ILE 10 21.303 13.254 5.176 70 HG23 ILE 10 HG23 ILE 10 20.549 13.956 3.743 71 HD11 ILE 10 HD11 ILE 10 16.981 12.326 5.015 72 HD12 ILE 10 HD12 ILE 10 17.939 12.381 3.533 73 HD13 ILE 10 HD13 ILE 10 16.392 13.221 3.616 74 H ARG 11 HN ARG 11 20.610 11.121 6.955 75 HA ARG 11 HA ARG 11 22.202 12.104 9.198 76 HB2 ARG 11 HB2 ARG 11 21.354 9.637 8.847 77 HB3 ARG 11 HB1 ARG 11 22.681 9.478 7.716 78 HG2 ARG 11 HG2 ARG 11 22.977 10.157 10.674 79 HG3 ARG 11 HG1 ARG 11 23.161 8.545 9.986 80 HD2 ARG 11 HD2 ARG 11 25.076 9.404 8.622 81 HD3 ARG 11 HD1 ARG 11 24.905 10.965 9.428 82 HE ARG 11 HE ARG 11 25.333 8.635 11.138 83 HH11 ARG 11 HH11 ARG 11 26.724 11.519 9.682 84 HH12 ARG 11 HH12 ARG 11 28.202 11.406 10.578 85 HH21 ARG 11 HH21 ARG 11 27.301 8.503 12.292 86 HH22 ARG 11 HH22 ARG 11 28.525 9.703 12.047 87 H LYS 12 HN LYS 12 22.760 10.942 5.841 88 HA LYS 12 HA LYS 12 24.986 12.865 5.515 89 HB2 LYS 12 HB2 LYS 12 25.123 9.891 4.837 90 HB3 LYS 12 HB1 LYS 12 26.274 11.081 4.237 91 HG2 LYS 12 HG2 LYS 12 27.064 11.543 6.495 92 HG3 LYS 12 HG1 LYS 12 25.825 10.484 7.178 93 HD2 LYS 12 HD2 LYS 12 26.858 8.533 6.064 94 HD3 LYS 12 HD1 LYS 12 28.069 9.590 5.328 95 HE2 LYS 12 HE2 LYS 12 27.729 9.251 8.326 96 HE3 LYS 12 HE1 LYS 12 28.877 8.335 7.350 97 HZ1 LYS 12 HZ1 LYS 12 29.918 10.239 8.416 98 HZ2 LYS 12 HZ2 LYS 12 28.846 11.291 7.641 99 HZ3 LYS 12 HZ3 LYS 12 29.957 10.400 6.730 100 H LYS 13 HN LYS 13 25.636 13.030 3.170 101 HA LYS 13 HA LYS 13 23.546 12.618 1.190 102 HB2 LYS 13 HB2 LYS 13 22.712 14.661 2.294 103 HB3 LYS 13 HB1 LYS 13 24.294 15.423 2.180 104 HG2 LYS 13 HG2 LYS 13 24.067 15.439 -0.311 105 HG3 LYS 13 HG1 LYS 13 22.451 14.739 -0.147 106 HD2 LYS 13 HD2 LYS 13 21.714 16.761 1.108 107 HD3 LYS 13 HD1 LYS 13 23.333 17.453 0.948 108 HE2 LYS 13 HE2 LYS 13 23.078 17.500 -1.508 109 HE3 LYS 13 HE1 LYS 13 21.481 16.765 -1.369 110 HZ1 LYS 13 HZ1 LYS 13 22.291 19.436 -0.364 111 HZ2 LYS 13 HZ2 LYS 13 20.779 18.735 -0.106 112 HZ3 LYS 13 HZ3 LYS 13 21.279 19.110 -1.679 113 H ARG 14 HN ARG 14 24.363 12.822 -0.905 114 HA ARG 14 HA ARG 14 26.991 13.821 -1.540 115 HB2 ARG 14 HB2 ARG 14 28.022 11.633 -2.110 116 HB3 ARG 14 HB1 ARG 14 27.654 11.735 -0.389 117 HG2 ARG 14 HG2 ARG 14 25.591 10.388 -0.763 118 HG3 ARG 14 HG1 ARG 14 26.016 10.236 -2.473 119 HD2 ARG 14 HD2 ARG 14 27.661 9.227 -0.126 120 HD3 ARG 14 HD1 ARG 14 26.656 8.232 -1.192 121 HE ARG 14 HE ARG 14 29.038 9.748 -2.108 122 HH11 ARG 14 HH11 ARG 14 27.034 6.843 -2.309 123 HH12 ARG 14 HH12 ARG 14 28.106 6.061 -3.425 124 HH21 ARG 14 HH21 ARG 14 30.366 8.728 -3.594 125 HH22 ARG 14 HH22 ARG 14 29.997 7.130 -4.143 126 H VAL 15 HN VAL 15 27.535 13.344 -3.855 127 HA VAL 15 HA VAL 15 25.190 12.624 -5.526 128 HB VAL 15 HB VAL 15 27.575 14.316 -6.430 129 HG11 VAL 15 HG11 VAL 15 24.855 13.845 -7.725 130 HG12 VAL 15 HG12 VAL 15 26.392 13.166 -8.270 131 HG13 VAL 15 HG13 VAL 15 26.115 14.908 -8.353 132 HG21 VAL 15 HG21 VAL 15 26.405 15.588 -4.684 133 HG22 VAL 15 HG22 VAL 15 24.856 15.319 -5.485 134 HG23 VAL 15 HG23 VAL 15 26.089 16.311 -6.265 135 H ARG 16 HN ARG 16 25.427 10.845 -6.714 136 HA ARG 16 HA ARG 16 28.058 9.489 -6.925 137 HB2 ARG 16 HB2 ARG 16 26.627 8.488 -5.150 138 HB3 ARG 16 HB1 ARG 16 25.315 8.279 -6.304 139 HG2 ARG 16 HG2 ARG 16 26.849 6.701 -7.596 140 HG3 ARG 16 HG1 ARG 16 27.974 6.799 -6.235 141 HD2 ARG 16 HD2 ARG 16 26.126 5.997 -4.738 142 HD3 ARG 16 HD1 ARG 16 25.113 5.774 -6.166 143 HE ARG 16 HE ARG 16 27.396 4.302 -6.646 144 HH11 ARG 16 HH11 ARG 16 24.914 4.301 -4.132 145 HH12 ARG 16 HH12 ARG 16 25.101 2.609 -3.792 146 HH21 ARG 16 HH21 ARG 16 27.614 2.081 -6.169 147 HH22 ARG 16 HH22 ARG 16 26.624 1.358 -4.949 148 H LYS 17 HN LYS 17 28.396 10.073 -9.055 149 HA LYS 17 HA LYS 17 28.296 10.094 -11.314 150 HB2 LYS 17 HB2 LYS 17 26.584 7.590 -10.957 151 HB3 LYS 17 HB1 LYS 17 27.399 8.078 -12.444 152 HG2 LYS 17 HG2 LYS 17 29.600 7.844 -11.271 153 HG3 LYS 17 HG1 LYS 17 28.737 7.269 -9.839 154 HD2 LYS 17 HD2 LYS 17 27.879 5.334 -11.133 155 HD3 LYS 17 HD1 LYS 17 28.728 5.919 -12.569 156 HE2 LYS 17 HE2 LYS 17 30.897 5.639 -11.380 157 HE3 LYS 17 HE1 LYS 17 30.032 5.012 -9.970 158 HZ1 LYS 17 HZ1 LYS 17 30.904 3.233 -11.339 159 HZ2 LYS 17 HZ2 LYS 17 30.053 3.801 -12.682 160 HZ3 LYS 17 HZ3 LYS 17 29.213 3.189 -11.346 161 H GLY 18 HN GLY 18 26.541 11.803 -10.060 162 HA2 GLY 18 HA2 GLY 18 25.021 13.375 -10.925 163 HA3 GLY 18 HA1 GLY 18 24.428 12.186 -12.073 164 H LYS 19 HN LYS 19 24.317 10.300 -9.550 165 HA LYS 19 HA LYS 19 21.512 10.913 -8.942 166 HB2 LYS 19 HB2 LYS 19 23.177 8.463 -8.177 167 HB3 LYS 19 HB1 LYS 19 21.428 8.630 -8.033 168 HG2 LYS 19 HG2 LYS 19 22.934 8.721 -10.653 169 HG3 LYS 19 HG1 LYS 19 22.213 7.250 -9.993 170 HD2 LYS 19 HD2 LYS 19 20.699 9.786 -10.766 171 HD3 LYS 19 HD1 LYS 19 20.798 8.322 -11.745 172 HE2 LYS 19 HE2 LYS 19 19.624 7.057 -9.969 173 HE3 LYS 19 HE1 LYS 19 19.536 8.519 -8.982 174 HZ1 LYS 19 HZ1 LYS 19 18.261 8.106 -11.630 175 HZ2 LYS 19 HZ2 LYS 19 18.205 9.541 -10.740 176 HZ3 LYS 19 HZ3 LYS 19 17.482 8.138 -10.132 177 H VAL 20 HN VAL 20 21.222 12.268 -7.266 178 HA VAL 20 HA VAL 20 23.208 12.585 -5.170 179 HB VAL 20 HB VAL 20 20.489 13.963 -5.379 180 HG11 VAL 20 HG11 VAL 20 21.488 15.678 -3.877 181 HG12 VAL 20 HG12 VAL 20 22.958 14.710 -3.751 182 HG13 VAL 20 HG13 VAL 20 21.436 14.090 -3.106 183 HG21 VAL 20 HG21 VAL 20 23.186 14.942 -6.400 184 HG22 VAL 20 HG22 VAL 20 21.699 15.892 -6.368 185 HG23 VAL 20 HG23 VAL 20 21.807 14.461 -7.394 186 H GLU 21 HN GLU 21 23.264 11.156 -3.541 187 HA GLU 21 HA GLU 21 20.844 9.709 -2.705 188 HB2 GLU 21 HB2 GLU 21 23.765 9.192 -1.997 189 HB3 GLU 21 HB1 GLU 21 22.400 8.203 -1.484 190 HG2 GLU 21 HG2 GLU 21 21.967 7.622 -3.851 191 HG3 GLU 21 HG1 GLU 21 23.391 8.555 -4.331 192 H TYR 22 HN TYR 22 20.376 9.414 -0.538 193 HA TYR 22 HA TYR 22 21.503 11.271 1.454 194 HB2 TYR 22 HB2 TYR 22 18.521 10.736 0.965 195 HB3 TYR 22 HB1 TYR 22 19.178 11.668 2.306 196 HD1 TYR 22 HD1 TYR 22 18.758 11.636 -1.394 197 HD2 TYR 22 HD2 TYR 22 19.753 13.994 2.022 198 HE1 TYR 22 HE1 TYR 22 18.718 13.650 -2.774 199 HE2 TYR 22 HE2 TYR 22 19.686 16.015 0.641 200 HH TYR 22 HH TYR 22 18.339 16.093 -2.446 201 H LEU 23 HN LEU 23 22.509 9.733 2.751 202 HA LEU 23 HA LEU 23 21.345 7.272 3.612 203 HB2 LEU 23 HB2 LEU 23 23.779 7.876 3.929 204 HB3 LEU 23 HB1 LEU 23 23.300 9.075 5.116 205 HG LEU 23 HG LEU 23 22.356 7.205 6.533 206 HD11 LEU 23 HD11 LEU 23 23.747 5.386 4.556 207 HD12 LEU 23 HD12 LEU 23 22.002 5.540 4.780 208 HD13 LEU 23 HD13 LEU 23 23.001 4.902 6.083 209 HD21 LEU 23 HD21 LEU 23 25.322 6.997 5.916 210 HD22 LEU 23 HD22 LEU 23 24.523 6.410 7.380 211 HD23 LEU 23 HD23 LEU 23 24.568 8.138 7.035 212 H VAL 24 HN VAL 24 19.154 7.729 4.068 213 HA VAL 24 HA VAL 24 18.362 9.966 5.663 214 HB VAL 24 HB VAL 24 16.710 7.558 4.780 215 HG11 VAL 24 HG11 VAL 24 15.621 8.691 6.682 216 HG12 VAL 24 HG12 VAL 24 14.715 8.996 5.200 217 HG13 VAL 24 HG13 VAL 24 15.764 10.251 5.864 218 HG21 VAL 24 HG21 VAL 24 16.970 10.307 3.506 219 HG22 VAL 24 HG22 VAL 24 15.885 9.023 2.971 220 HG23 VAL 24 HG23 VAL 24 17.632 8.801 2.865 221 H LYS 25 HN LYS 25 18.531 10.050 7.824 222 HA LYS 25 HA LYS 25 18.786 7.676 9.463 223 HB2 LYS 25 HB2 LYS 25 20.055 9.744 10.008 224 HB3 LYS 25 HB1 LYS 25 18.547 10.612 10.271 225 HG2 LYS 25 HG2 LYS 25 19.556 9.981 12.401 226 HG3 LYS 25 HG1 LYS 25 18.021 9.136 12.176 227 HD2 LYS 25 HD2 LYS 25 19.301 7.105 11.439 228 HD3 LYS 25 HD1 LYS 25 20.809 7.964 11.774 229 HE2 LYS 25 HE2 LYS 25 18.658 7.229 13.795 230 HE3 LYS 25 HE1 LYS 25 20.246 6.475 13.637 231 HZ1 LYS 25 HZ1 LYS 25 21.214 8.691 14.157 232 HZ2 LYS 25 HZ2 LYS 25 20.325 8.012 15.425 233 HZ3 LYS 25 HZ3 LYS 25 19.655 9.256 14.498 234 H TRP 26 HN TRP 26 17.115 6.612 10.330 235 HA TRP 26 HA TRP 26 14.410 7.806 10.358 236 HB2 TRP 26 HB2 TRP 26 15.173 4.856 10.624 237 HB3 TRP 26 HB1 TRP 26 13.572 5.523 10.311 238 HD1 TRP 26 HD1 TRP 26 16.893 4.728 8.576 239 HE1 TRP 26 HE1 TRP 26 16.573 4.804 6.031 240 HE3 TRP 26 HE3 TRP 26 12.113 6.555 8.393 241 HZ2 TRP 26 HZ2 TRP 26 14.602 5.539 4.187 242 HZ3 TRP 26 HZ3 TRP 26 11.080 6.905 6.181 243 HH2 TRP 26 HH2 TRP 26 12.300 6.405 4.118 244 H LYS 27 HN LYS 27 13.268 7.915 12.354 245 HA LYS 27 HA LYS 27 15.076 8.413 14.534 246 HB2 LYS 27 HB2 LYS 27 13.129 9.885 13.927 247 HB3 LYS 27 HB1 LYS 27 12.042 8.642 14.537 248 HG2 LYS 27 HG2 LYS 27 12.970 8.901 16.794 249 HG3 LYS 27 HG1 LYS 27 14.151 10.071 16.191 250 HD2 LYS 27 HD2 LYS 27 12.310 11.603 15.568 251 HD3 LYS 27 HD1 LYS 27 11.131 10.436 16.176 252 HE2 LYS 27 HE2 LYS 27 12.081 10.675 18.455 253 HE3 LYS 27 HE1 LYS 27 13.258 11.842 17.838 254 HZ1 LYS 27 HZ1 LYS 27 11.363 12.921 18.875 255 HZ2 LYS 27 HZ2 LYS 27 10.305 12.182 17.784 256 HZ3 LYS 27 HZ3 LYS 27 11.442 13.305 17.231 257 H GLY 28 HN GLY 28 12.513 6.031 13.966 258 HA2 GLY 28 HA2 GLY 28 12.841 4.790 16.607 259 HA3 GLY 28 HA1 GLY 28 11.700 4.331 15.357 260 H TRP 29 HN TRP 29 14.917 4.690 14.248 261 HA TRP 29 HA TRP 29 15.477 1.798 14.408 262 HB2 TRP 29 HB2 TRP 29 15.631 3.464 11.840 263 HB3 TRP 29 HB1 TRP 29 16.095 1.774 12.000 264 HD1 TRP 29 HD1 TRP 29 12.920 4.003 11.970 265 HE1 TRP 29 HE1 TRP 29 10.913 2.554 11.300 266 HE3 TRP 29 HE3 TRP 29 15.202 -0.581 11.879 267 HZ2 TRP 29 HZ2 TRP 29 10.345 -0.155 10.807 268 HZ3 TRP 29 HZ3 TRP 29 13.853 -2.551 11.282 269 HH2 TRP 29 HH2 TRP 29 11.474 -2.342 10.757 270 HA PRO 30 HA PRO 30 19.632 3.373 15.425 271 HB2 PRO 30 HB2 PRO 30 21.000 0.986 15.060 272 HB3 PRO 30 HB1 PRO 30 20.054 1.366 16.507 273 HG2 PRO 30 HG2 PRO 30 19.252 -0.240 14.089 274 HG3 PRO 30 HG1 PRO 30 19.020 -0.622 15.809 275 HD2 PRO 30 HD2 PRO 30 17.007 0.380 14.341 276 HD3 PRO 30 HD1 PRO 30 17.232 0.876 16.033 277 HA PRO 31 HA PRO 31 21.584 4.575 11.581 278 HB2 PRO 31 HB2 PRO 31 24.291 3.743 12.599 279 HB3 PRO 31 HB1 PRO 31 23.732 5.331 12.049 280 HG2 PRO 31 HG2 PRO 31 24.079 4.876 14.648 281 HG3 PRO 31 HG1 PRO 31 22.671 5.808 14.096 282 HD2 PRO 31 HD2 PRO 31 22.812 2.899 14.918 283 HD3 PRO 31 HD1 PRO 31 21.624 4.139 15.378 284 H LYS 32 HN LYS 32 22.129 1.288 12.563 285 HA LYS 32 HA LYS 32 23.357 0.323 10.167 286 HB2 LYS 32 HB2 LYS 32 22.580 -1.936 10.967 287 HB3 LYS 32 HB1 LYS 32 23.510 -1.022 12.150 288 HG2 LYS 32 HG2 LYS 32 21.339 -0.329 13.218 289 HG3 LYS 32 HG1 LYS 32 20.500 -1.425 12.119 290 HD2 LYS 32 HD2 LYS 32 22.651 -2.274 14.105 291 HD3 LYS 32 HD1 LYS 32 20.916 -2.372 14.415 292 HE2 LYS 32 HE2 LYS 32 20.662 -3.957 12.548 293 HE3 LYS 32 HE1 LYS 32 22.385 -3.823 12.186 294 HZ1 LYS 32 HZ1 LYS 32 22.858 -4.738 14.381 295 HZ2 LYS 32 HZ2 LYS 32 21.927 -5.800 13.449 296 HZ3 LYS 32 HZ3 LYS 32 21.205 -4.900 14.684 297 H TYR 33 HN TYR 33 20.070 1.161 10.940 298 HA TYR 33 HA TYR 33 19.007 -0.038 8.452 299 HB2 TYR 33 HB2 TYR 33 17.567 1.081 10.889 300 HB3 TYR 33 HB1 TYR 33 16.749 0.501 9.445 301 HD1 TYR 33 HD1 TYR 33 17.378 -1.979 8.718 302 HD2 TYR 33 HD2 TYR 33 17.852 -0.443 12.673 303 HE1 TYR 33 HE1 TYR 33 17.330 -4.262 9.609 304 HE2 TYR 33 HE2 TYR 33 17.810 -2.729 13.568 305 HH TYR 33 HH TYR 33 18.024 -5.503 11.536 306 H SER 34 HN SER 34 20.353 2.892 9.351 307 HA SER 34 HA SER 34 18.646 4.652 7.846 308 HB2 SER 34 HB2 SER 34 20.515 6.257 7.898 309 HB3 SER 34 HB1 SER 34 20.279 5.555 9.496 310 HG SER 34 HG SER 34 22.013 3.996 8.415 311 H THR 35 HN THR 35 18.635 5.017 5.628 312 HA THR 35 HA THR 35 20.165 3.028 4.026 313 HB THR 35 HB THR 35 17.975 3.044 2.587 314 HG1 THR 35 HG1 THR 35 16.243 3.995 3.445 315 HG21 THR 35 HG21 THR 35 16.886 1.341 4.004 316 HG22 THR 35 HG22 THR 35 17.863 1.842 5.386 317 HG23 THR 35 HG23 THR 35 18.634 1.094 3.985 318 H TRP 36 HN TRP 36 21.349 3.811 2.361 319 HA TRP 36 HA TRP 36 21.307 6.544 1.464 320 HB2 TRP 36 HB2 TRP 36 22.580 4.087 0.141 321 HB3 TRP 36 HB1 TRP 36 22.867 5.750 -0.345 322 HD1 TRP 36 HD1 TRP 36 23.979 3.133 2.159 323 HE1 TRP 36 HE1 TRP 36 25.970 4.044 3.498 324 HE3 TRP 36 HE3 TRP 36 23.817 8.028 0.644 325 HZ2 TRP 36 HZ2 TRP 36 27.303 6.495 3.875 326 HZ3 TRP 36 HZ3 TRP 36 25.493 9.593 1.550 327 HH2 TRP 36 HH2 TRP 36 27.200 8.838 3.134 328 H GLU 37 HN GLU 37 19.419 7.170 0.521 329 HA GLU 37 HA GLU 37 18.453 5.748 -1.883 330 HB2 GLU 37 HB2 GLU 37 16.736 6.909 0.359 331 HB3 GLU 37 HB1 GLU 37 16.113 6.242 -1.147 332 HG2 GLU 37 HG2 GLU 37 16.820 4.026 -0.553 333 HG3 GLU 37 HG1 GLU 37 17.748 4.622 0.822 334 HA PRO 38 HA PRO 38 19.156 9.783 -3.618 335 HB2 PRO 38 HB2 PRO 38 17.814 9.592 -5.994 336 HB3 PRO 38 HB1 PRO 38 19.302 8.692 -5.662 337 HG2 PRO 38 HG2 PRO 38 16.439 7.752 -5.424 338 HG3 PRO 38 HG1 PRO 38 17.807 6.939 -6.215 339 HD2 PRO 38 HD2 PRO 38 17.014 6.251 -3.723 340 HD3 PRO 38 HD1 PRO 38 18.733 6.238 -4.180 341 H GLU 39 HN GLU 39 18.119 11.733 -4.446 342 HA GLU 39 HA GLU 39 16.214 12.888 -2.835 343 HB2 GLU 39 HB2 GLU 39 15.982 14.587 -4.853 344 HB3 GLU 39 HB1 GLU 39 17.499 14.434 -3.989 345 HG2 GLU 39 HG2 GLU 39 17.833 14.612 -6.426 346 HG3 GLU 39 HG1 GLU 39 18.460 13.095 -5.788 347 H GLU 40 HN GLU 40 15.555 10.844 -5.503 348 HA GLU 40 HA GLU 40 13.058 11.567 -6.429 349 HB2 GLU 40 HB2 GLU 40 14.489 9.793 -7.406 350 HB3 GLU 40 HB1 GLU 40 14.198 8.769 -6.010 351 HG2 GLU 40 HG2 GLU 40 12.777 7.867 -7.615 352 HG3 GLU 40 HG1 GLU 40 11.697 8.890 -6.677 353 H HIS 41 HN HIS 41 13.888 9.586 -3.588 354 HA HIS 41 HA HIS 41 11.117 8.880 -3.035 355 HB2 HIS 41 HB2 HIS 41 11.944 7.281 -1.572 356 HB3 HIS 41 HB1 HIS 41 13.275 7.408 -2.703 357 HD1 HIS 41 HD1 HIS 41 14.807 9.794 -1.563 358 HD2 HIS 41 HD2 HIS 41 13.132 6.830 0.789 359 HE1 HIS 41 HE1 HIS 41 16.097 9.849 0.587 360 HE2 HIS 41 HE2 HIS 41 15.226 7.861 1.866 361 H ILE 42 HN ILE 42 12.940 11.585 -2.341 362 HA ILE 42 HA ILE 42 11.972 12.128 0.345 363 HB ILE 42 HB ILE 42 13.402 13.947 -1.666 364 HG12 ILE 42 HG12 ILE 42 14.790 12.004 -0.836 365 HG13 ILE 42 HG11 ILE 42 15.452 13.576 -0.414 366 HG21 ILE 42 HG21 ILE 42 12.096 15.306 -0.104 367 HG22 ILE 42 HG22 ILE 42 13.812 15.478 0.237 368 HG23 ILE 42 HG23 ILE 42 12.810 14.469 1.280 369 HD11 ILE 42 HD11 ILE 42 15.673 11.954 1.392 370 HD12 ILE 42 HD12 ILE 42 13.920 11.772 1.457 371 HD13 ILE 42 HD13 ILE 42 14.663 13.320 1.870 372 H LEU 43 HN LEU 43 9.993 12.871 0.767 373 HA LEU 43 HA LEU 43 8.264 13.880 -1.369 374 HB2 LEU 43 HB2 LEU 43 7.686 13.304 1.577 375 HB3 LEU 43 HB1 LEU 43 6.492 13.863 0.419 376 HG LEU 43 HG LEU 43 6.925 11.717 -0.896 377 HD11 LEU 43 HD11 LEU 43 9.059 11.053 0.002 378 HD12 LEU 43 HD12 LEU 43 7.857 9.802 0.298 379 HD13 LEU 43 HD13 LEU 43 8.357 10.863 1.610 380 HD21 LEU 43 HD21 LEU 43 4.910 11.995 0.487 381 HD22 LEU 43 HD22 LEU 43 5.795 11.408 1.903 382 HD23 LEU 43 HD23 LEU 43 5.493 10.330 0.538 383 H ASP 44 HN ASP 44 9.652 14.965 1.715 384 HA ASP 44 HA ASP 44 8.382 17.616 1.471 385 HB2 ASP 44 HB2 ASP 44 8.065 16.183 3.541 386 HB3 ASP 44 HB1 ASP 44 9.784 16.348 3.873 387 HA PRO 45 HA PRO 45 12.431 19.256 0.245 388 HB2 PRO 45 HB2 PRO 45 11.931 21.932 0.491 389 HB3 PRO 45 HB1 PRO 45 11.280 20.954 -0.831 390 HG2 PRO 45 HG2 PRO 45 9.931 21.794 1.744 391 HG3 PRO 45 HG1 PRO 45 9.295 21.850 0.083 392 HD2 PRO 45 HD2 PRO 45 8.642 19.846 1.782 393 HD3 PRO 45 HD1 PRO 45 8.842 19.555 0.041 394 H ARG 46 HN ARG 46 10.966 20.265 3.310 395 HA ARG 46 HA ARG 46 13.312 21.528 4.393 396 HB2 ARG 46 HB2 ARG 46 10.826 20.479 5.818 397 HB3 ARG 46 HB1 ARG 46 12.049 21.517 6.547 398 HG2 ARG 46 HG2 ARG 46 10.327 22.296 4.175 399 HG3 ARG 46 HG1 ARG 46 9.961 22.704 5.852 400 HD2 ARG 46 HD2 ARG 46 12.382 23.616 4.257 401 HD3 ARG 46 HD1 ARG 46 11.007 24.613 4.734 402 HE ARG 46 HE ARG 46 13.268 23.827 6.356 403 HH11 ARG 46 HH11 ARG 46 9.931 24.959 6.556 404 HH12 ARG 46 HH12 ARG 46 10.151 25.674 8.118 405 HH21 ARG 46 HH21 ARG 46 13.520 24.763 8.412 406 HH22 ARG 46 HH22 ARG 46 12.178 25.553 9.173 407 H LEU 47 HN LEU 47 12.336 18.223 4.093 408 HA LEU 47 HA LEU 47 13.820 17.036 6.204 409 HB2 LEU 47 HB2 LEU 47 12.095 15.830 4.956 410 HB3 LEU 47 HB1 LEU 47 13.016 15.968 3.470 411 HG LEU 47 HG LEU 47 14.682 14.387 4.271 412 HD11 LEU 47 HD11 LEU 47 13.196 14.350 6.913 413 HD12 LEU 47 HD12 LEU 47 14.821 14.980 6.620 414 HD13 LEU 47 HD13 LEU 47 14.505 13.256 6.454 415 HD21 LEU 47 HD21 LEU 47 13.309 12.351 4.472 416 HD22 LEU 47 HD22 LEU 47 12.666 13.434 3.238 417 HD23 LEU 47 HD23 LEU 47 11.883 13.335 4.820 418 H VAL 48 HN VAL 48 14.676 17.727 2.817 419 HA VAL 48 HA VAL 48 17.447 16.974 3.009 420 HB VAL 48 HB VAL 48 15.912 18.616 0.945 421 HG11 VAL 48 HG11 VAL 48 18.790 17.635 0.748 422 HG12 VAL 48 HG12 VAL 48 18.265 19.320 0.825 423 HG13 VAL 48 HG13 VAL 48 17.864 18.334 -0.583 424 HG21 VAL 48 HG21 VAL 48 16.914 15.749 0.846 425 HG22 VAL 48 HG22 VAL 48 16.058 16.583 -0.453 426 HG23 VAL 48 HG23 VAL 48 15.238 16.251 1.075 427 H MET 49 HN MET 49 15.637 20.004 3.180 428 HA MET 49 HA MET 49 17.853 21.768 2.983 429 HB2 MET 49 HB2 MET 49 14.959 22.188 3.829 430 HB3 MET 49 HB1 MET 49 16.131 23.518 3.775 431 HG2 MET 49 HG2 MET 49 15.221 21.789 1.463 432 HG3 MET 49 HG1 MET 49 14.809 23.484 1.743 433 HE1 MET 49 HE1 MET 49 16.000 22.260 -1.013 434 HE2 MET 49 HE2 MET 49 17.183 23.487 -1.459 435 HE3 MET 49 HE3 MET 49 15.600 23.974 -0.853 436 H ALA 50 HN ALA 50 15.844 20.876 5.831 437 HA ALA 50 HA ALA 50 17.156 22.522 7.711 438 HB1 ALA 50 HB1 ALA 50 14.911 21.571 8.096 439 HB2 ALA 50 HB2 ALA 50 15.997 21.242 9.447 440 HB3 ALA 50 HB3 ALA 50 15.619 19.968 8.281 441 H TYR 51 HN TYR 51 17.925 19.278 6.607 442 HA TYR 51 HA TYR 51 19.861 18.435 8.430 443 HB2 TYR 51 HB2 TYR 51 19.183 16.889 6.754 444 HB3 TYR 51 HB1 TYR 51 19.449 18.035 5.451 445 HD1 TYR 51 HD1 TYR 51 21.466 16.235 8.093 446 HD2 TYR 51 HD2 TYR 51 21.301 17.653 4.069 447 HE1 TYR 51 HE1 TYR 51 23.643 15.193 7.632 448 HE2 TYR 51 HE2 TYR 51 23.476 16.620 3.612 449 HH TYR 51 HH TYR 51 25.464 15.888 4.839 450 H GLU 52 HN GLU 52 20.259 20.504 5.544 451 HA GLU 52 HA GLU 52 23.101 20.917 5.948 452 HB2 GLU 52 HB2 GLU 52 21.124 22.117 3.958 453 HB3 GLU 52 HB1 GLU 52 22.873 22.366 3.903 454 HG2 GLU 52 HG2 GLU 52 23.266 20.027 3.464 455 HG3 GLU 52 HG1 GLU 52 21.572 19.628 3.743 456 H GLU 53 HN GLU 53 20.134 22.681 6.649 457 HA GLU 53 HA GLU 53 21.681 24.855 7.949 458 HB2 GLU 53 HB2 GLU 53 19.731 26.387 7.390 459 HB3 GLU 53 HB1 GLU 53 20.699 25.880 6.012 460 HG2 GLU 53 HG2 GLU 53 18.966 24.189 5.435 461 HG3 GLU 53 HG1 GLU 53 17.996 24.733 6.795 462 H LYS 54 HN LYS 54 21.597 23.928 9.973 463 HA LYS 54 HA LYS 54 19.255 22.632 11.024 464 HB2 LYS 54 HB2 LYS 54 21.908 23.382 12.310 465 HB3 LYS 54 HB1 LYS 54 20.623 22.578 13.192 466 HG2 LYS 54 HG2 LYS 54 21.978 21.430 10.719 467 HG3 LYS 54 HG1 LYS 54 22.361 20.988 12.388 468 HD2 LYS 54 HD2 LYS 54 19.676 20.587 10.993 469 HD3 LYS 54 HD1 LYS 54 20.847 19.320 11.350 470 HE2 LYS 54 HE2 LYS 54 20.467 19.553 13.735 471 HE3 LYS 54 HE1 LYS 54 19.495 21.005 13.491 472 HZ1 LYS 54 HZ1 LYS 54 18.228 18.948 13.935 473 HZ2 LYS 54 HZ2 LYS 54 18.734 18.345 12.441 474 HZ3 LYS 54 HZ3 LYS 54 17.781 19.746 12.514 475 H GLU 55 HN GLU 55 18.262 23.104 12.988 476 HA GLU 55 HA GLU 55 18.272 25.897 13.950 477 HB2 GLU 55 HB2 GLU 55 16.014 25.497 14.842 478 HB3 GLU 55 HB1 GLU 55 16.031 25.199 13.112 479 HG2 GLU 55 HG2 GLU 55 16.150 22.996 15.205 480 HG3 GLU 55 HG1 GLU 55 14.653 23.582 14.489 481 H GLU 56 HN GLU 56 17.963 25.985 16.333 482 HA GLU 56 HA GLU 56 18.061 25.392 18.514 483 HB2 GLU 56 HB2 GLU 56 16.972 23.260 17.974 484 HB3 GLU 56 HB1 GLU 56 18.515 22.545 17.532 485 HG2 GLU 56 HG2 GLU 56 19.273 22.707 19.868 486 HG3 GLU 56 HG1 GLU 56 17.756 23.480 20.317 487 H1 ALA 1 HT1 ALA 1 1.037 8.728 13.385 488 H2 ALA 1 HT2 ALA 1 -0.070 9.996 13.513 489 H3 ALA 1 HT3 ALA 1 1.500 10.298 12.963 490 HA ALA 1 HA ALA 1 1.135 9.013 11.000 491 HB1 ALA 1 HB1 ALA 1 -1.084 8.072 10.496 492 HB2 ALA 1 HB2 ALA 1 -1.676 8.613 12.071 493 HB3 ALA 1 HB3 ALA 1 -0.421 7.375 11.978 494 H ARG 2 HN ARG 2 1.695 11.256 10.621 495 HA ARG 2 HA ARG 2 -0.446 12.789 9.353 496 HB2 ARG 2 HB2 ARG 2 -0.345 13.587 11.751 497 HB3 ARG 2 HB1 ARG 2 1.339 14.041 11.508 498 HG2 ARG 2 HG2 ARG 2 0.710 15.753 9.908 499 HG3 ARG 2 HG1 ARG 2 -0.971 15.212 9.919 500 HD2 ARG 2 HD2 ARG 2 0.507 16.421 12.290 501 HD3 ARG 2 HD1 ARG 2 -0.658 17.262 11.261 502 HE ARG 2 HE ARG 2 -2.029 15.073 12.175 503 HH11 ARG 2 HH11 ARG 2 -0.347 17.687 13.819 504 HH12 ARG 2 HH12 ARG 2 -1.428 17.680 15.175 505 HH21 ARG 2 HH21 ARG 2 -3.418 15.069 13.967 506 HH22 ARG 2 HH22 ARG 2 -3.163 16.197 15.262 507 H THR 3 HN THR 3 0.311 14.071 7.661 508 HA THR 3 HA THR 3 2.733 13.305 6.407 509 HB THR 3 HB THR 3 1.044 15.749 5.709 510 HG1 THR 3 HG1 THR 3 0.641 13.028 4.923 511 HG21 THR 3 HG21 THR 3 2.726 13.905 3.954 512 HG22 THR 3 HG22 THR 3 3.161 15.550 4.422 513 HG23 THR 3 HG23 THR 3 1.761 15.273 3.386 514 H LYS 4 HN LYS 4 4.713 13.958 6.935 515 HA LYS 4 HA LYS 4 5.299 16.709 7.864 516 HB2 LYS 4 HB2 LYS 4 6.265 14.094 9.139 517 HB3 LYS 4 HB1 LYS 4 6.898 15.688 9.540 518 HG2 LYS 4 HG2 LYS 4 4.687 16.358 10.407 519 HG3 LYS 4 HG1 LYS 4 4.042 14.759 10.005 520 HD2 LYS 4 HD2 LYS 4 5.595 13.708 11.606 521 HD3 LYS 4 HD1 LYS 4 6.318 15.283 11.965 522 HE2 LYS 4 HE2 LYS 4 3.435 14.484 12.522 523 HE3 LYS 4 HE1 LYS 4 4.725 14.627 13.719 524 HZ1 LYS 4 HZ1 LYS 4 3.589 16.830 12.083 525 HZ2 LYS 4 HZ2 LYS 4 4.911 16.988 13.123 526 HZ3 LYS 4 HZ3 LYS 4 3.395 16.600 13.748 527 H GLN 5 HN GLN 5 8.099 16.281 8.235 528 HA GLN 5 HA GLN 5 9.312 15.764 5.735 529 HB2 GLN 5 HB2 GLN 5 10.441 15.593 8.565 530 HB3 GLN 5 HB1 GLN 5 11.429 15.364 7.127 531 HG2 GLN 5 HG2 GLN 5 11.758 17.609 7.873 532 HG3 GLN 5 HG1 GLN 5 10.804 17.681 6.394 533 HE21 GLN 5 HE21 GLN 5 9.749 19.587 6.708 534 HE22 GLN 5 HE22 GLN 5 8.720 19.944 8.048 535 H THR 6 HN THR 6 9.068 13.891 4.662 536 HA THR 6 HA THR 6 9.192 11.307 6.074 537 HB THR 6 HB THR 6 6.925 11.929 4.113 538 HG1 THR 6 HG1 THR 6 6.858 13.208 6.130 539 HG21 THR 6 HG21 THR 6 7.250 9.737 6.202 540 HG22 THR 6 HG22 THR 6 7.412 9.530 4.454 541 HG23 THR 6 HG23 THR 6 5.849 9.958 5.154 542 H ALA 7 HN ALA 7 9.575 9.482 4.619 543 HA ALA 7 HA ALA 7 10.460 10.077 1.881 544 HB1 ALA 7 HB1 ALA 7 12.430 10.488 3.287 545 HB2 ALA 7 HB2 ALA 7 12.672 9.086 2.246 546 HB3 ALA 7 HB3 ALA 7 12.304 8.860 3.959 547 H ARG 8 HN ARG 8 10.046 8.425 0.489 548 HA ARG 8 HA ARG 8 8.707 6.001 1.352 549 HB2 ARG 8 HB2 ARG 8 9.677 6.702 -1.462 550 HB3 ARG 8 HB1 ARG 8 8.497 5.468 -1.030 551 HG2 ARG 8 HG2 ARG 8 6.921 7.253 -0.333 552 HG3 ARG 8 HG1 ARG 8 8.116 8.466 -0.806 553 HD2 ARG 8 HD2 ARG 8 8.072 7.483 -3.136 554 HD3 ARG 8 HD1 ARG 8 6.719 6.467 -2.621 555 HE ARG 8 HE ARG 8 6.037 9.123 -2.043 556 HH11 ARG 8 HH11 ARG 8 6.625 7.139 -4.888 557 HH12 ARG 8 HH12 ARG 8 5.660 8.131 -5.922 558 HH21 ARG 8 HH21 ARG 8 4.784 10.425 -3.447 559 HH22 ARG 8 HH22 ARG 8 4.619 9.980 -5.113 560 H M3L 9 HN M3L 9 9.911 4.193 2.016 561 HA M3L 9 HA M3L 9 12.651 3.852 1.372 562 HB2 M3L 9 HB2 M3L 9 10.640 1.848 2.452 563 HB3 M3L 9 HB1 M3L 9 12.353 1.478 2.211 564 HG2 M3L 9 HG2 M3L 9 12.840 3.499 3.723 565 HG3 M3L 9 HG1 M3L 9 11.119 3.462 4.139 566 HD2 M3L 9 HD2 M3L 9 11.330 1.212 5.039 567 HD3 M3L 9 HD1 M3L 9 13.001 1.095 4.468 568 HE2 M3L 9 HE2 M3L 9 13.470 3.154 5.969 569 HE3 M3L 9 HE1 M3L 9 11.893 2.833 6.694 570 HM11 M3L 9 HH33 M3L 9 13.006 2.519 8.902 571 HM12 M3L 9 HH31 M3L 9 14.571 2.837 8.147 572 HM13 M3L 9 HH32 M3L 9 14.323 1.354 9.075 573 HM21 M3L 9 HH11 M3L 9 11.514 0.692 7.977 574 HM22 M3L 9 HH12 M3L 9 12.842 -0.452 8.191 575 HM23 M3L 9 HH13 M3L 9 12.072 -0.279 6.611 576 HM31 M3L 9 HH21 M3L 9 15.334 1.497 6.203 577 HM32 M3L 9 HH22 M3L 9 14.315 0.210 5.551 578 HM33 M3L 9 HH23 M3L 9 15.084 0.008 7.127 579 H SER 10 HN SER 10 13.545 3.180 -0.390 580 HA SER 10 HA SER 10 12.286 2.324 -2.753 581 HB2 SER 10 HB2 SER 10 14.513 3.372 -2.762 582 HB3 SER 10 HB1 SER 10 15.180 2.050 -1.806 583 HG SER 10 HG SER 10 15.706 1.408 -3.762 584 H THR 11 HN THR 11 11.885 0.271 -3.579 585 HA THR 11 HA THR 11 11.476 -1.926 -1.862 586 HB THR 11 HB THR 11 11.762 -2.021 -4.909 587 HG1 THR 11 HG1 THR 11 9.429 -1.707 -4.831 588 HG21 THR 11 HG21 THR 11 10.184 -3.920 -4.771 589 HG22 THR 11 HG22 THR 11 10.165 -3.789 -3.012 590 HG23 THR 11 HG23 THR 11 11.649 -4.258 -3.845 591 H GLY 12 HN GLY 12 14.213 -0.926 -3.821 592 HA2 GLY 12 HA2 GLY 12 16.420 -1.572 -3.853 593 HA3 GLY 12 HA1 GLY 12 16.087 -2.636 -2.490 594 H GLY 13 HN GLY 13 14.383 -2.754 -5.560 595 HA2 GLY 13 HA2 GLY 13 14.905 -5.565 -5.940 596 HA3 GLY 13 HA1 GLY 13 13.970 -4.518 -6.996 597 H LYS 14 HN LYS 14 17.252 -5.368 -6.047 598 HA LYS 14 HA LYS 14 18.283 -5.530 -8.690 599 HB2 LYS 14 HB2 LYS 14 18.243 -3.044 -8.531 600 HB3 LYS 14 HB1 LYS 14 19.186 -3.105 -7.052 601 HG2 LYS 14 HG2 LYS 14 20.553 -2.434 -8.990 602 HG3 LYS 14 HG1 LYS 14 21.129 -3.942 -8.278 603 HD2 LYS 14 HD2 LYS 14 21.210 -4.122 -10.700 604 HD3 LYS 14 HD1 LYS 14 19.968 -5.211 -10.087 605 HE2 LYS 14 HE2 LYS 14 19.157 -4.112 -12.090 606 HE3 LYS 14 HE1 LYS 14 18.238 -3.507 -10.712 607 HZ1 LYS 14 HZ1 LYS 14 18.904 -1.739 -12.225 608 HZ2 LYS 14 HZ2 LYS 14 20.533 -2.123 -11.993 609 HZ3 LYS 14 HZ3 LYS 14 19.618 -1.530 -10.706 610 H ALA 15 HN ALA 15 20.287 -6.573 -8.705 611 HA ALA 15 HA ALA 15 21.129 -8.053 -6.460 612 HB1 ALA 15 HB1 ALA 15 23.023 -8.748 -7.881 613 HB2 ALA 15 HB2 ALA 15 22.624 -7.478 -9.045 614 HB3 ALA 15 HB3 ALA 15 21.503 -8.813 -8.763 Start of MODEL 15 1 H1 GLY 1 HT1 GLY 1 2.210 1.184 -2.191 2 H2 GLY 1 HT2 GLY 1 1.493 -0.194 -2.859 3 H3 GLY 1 HT3 GLY 1 2.906 0.445 -3.539 4 HA2 GLY 1 HA1 GLY 1 2.710 -0.713 -0.820 5 HA3 GLY 1 HA2 GLY 1 3.344 -1.558 -2.230 6 H GLU 2 HN GLU 2 3.708 1.747 -0.933 7 HA GLU 2 HA GLU 2 6.593 1.705 -1.432 8 HB2 GLU 2 HB2 GLU 2 4.700 3.976 -0.669 9 HB3 GLU 2 HB1 GLU 2 6.435 4.183 -0.829 10 HG2 GLU 2 HG2 GLU 2 5.424 5.006 -2.823 11 HG3 GLU 2 HG1 GLU 2 6.245 3.501 -3.234 12 H GLN 3 HN GLN 3 8.024 1.358 0.145 13 HA GLN 3 HA GLN 3 7.183 0.902 2.875 14 HB2 GLN 3 HB2 GLN 3 9.910 0.731 1.518 15 HB3 GLN 3 HB1 GLN 3 9.647 0.340 3.211 16 HG2 GLN 3 HG2 GLN 3 9.712 -1.717 1.989 17 HG3 GLN 3 HG1 GLN 3 8.043 -1.454 2.491 18 HE21 GLN 3 HE21 GLN 3 7.147 -2.746 0.897 19 HE22 GLN 3 HE22 GLN 3 7.180 -2.341 -0.783 20 H VAL 4 HN VAL 4 6.433 3.014 3.389 21 HA VAL 4 HA VAL 4 8.453 5.125 3.706 22 HB VAL 4 HB VAL 4 6.586 6.658 4.194 23 HG11 VAL 4 HG11 VAL 4 6.180 5.066 1.634 24 HG12 VAL 4 HG12 VAL 4 7.312 6.400 1.873 25 HG13 VAL 4 HG13 VAL 4 5.574 6.700 1.933 26 HG21 VAL 4 HG21 VAL 4 4.987 5.130 5.273 27 HG22 VAL 4 HG22 VAL 4 4.730 4.279 3.750 28 HG23 VAL 4 HG23 VAL 4 4.212 5.959 3.921 29 H PHE 5 HN PHE 5 9.337 5.553 5.576 30 HA PHE 5 HA PHE 5 8.083 4.733 8.126 31 HB2 PHE 5 HB2 PHE 5 11.038 4.430 7.365 32 HB3 PHE 5 HB1 PHE 5 10.410 4.209 8.993 33 HD1 PHE 5 HD2 PHE 5 10.249 2.816 5.519 34 HD2 PHE 5 HD1 PHE 5 9.510 2.087 9.664 35 HE1 PHE 5 HE2 PHE 5 9.805 0.446 5.029 36 HE2 PHE 5 HE1 PHE 5 9.069 -0.282 9.163 37 HZ PHE 5 HZ PHE 5 9.211 -1.104 6.847 38 H ALA 6 HN ALA 6 8.491 6.156 9.866 39 HA ALA 6 HA ALA 6 8.767 8.914 9.225 40 HB1 ALA 6 HB1 ALA 6 8.833 7.575 11.955 41 HB2 ALA 6 HB2 ALA 6 7.384 8.129 11.113 42 HB3 ALA 6 HB3 ALA 6 8.591 9.298 11.648 43 H VAL 7 HN VAL 7 10.599 9.965 8.835 44 HA VAL 7 HA VAL 7 13.188 8.835 9.679 45 HB VAL 7 HB VAL 7 14.225 10.115 7.918 46 HG11 VAL 7 HG11 VAL 7 11.655 8.910 6.838 47 HG12 VAL 7 HG12 VAL 7 13.153 8.046 7.181 48 HG13 VAL 7 HG13 VAL 7 13.113 9.252 5.898 49 HG21 VAL 7 HG21 VAL 7 12.976 12.217 8.116 50 HG22 VAL 7 HG22 VAL 7 11.550 11.461 7.405 51 HG23 VAL 7 HG23 VAL 7 13.013 11.672 6.441 52 H GLU 8 HN GLU 8 14.739 10.096 10.687 53 HA GLU 8 HA GLU 8 13.932 12.274 12.370 54 HB2 GLU 8 HB2 GLU 8 15.645 10.677 13.095 55 HB3 GLU 8 HB1 GLU 8 16.647 11.054 11.701 56 HG2 GLU 8 HG2 GLU 8 17.027 13.319 12.577 57 HG3 GLU 8 HG1 GLU 8 15.986 12.960 13.959 58 H SER 9 HN SER 9 16.590 12.108 10.039 59 HA SER 9 HA SER 9 15.794 14.306 8.391 60 HB2 SER 9 HB2 SER 9 18.210 14.679 10.246 61 HB3 SER 9 HB1 SER 9 17.806 15.750 8.903 62 HG SER 9 HG SER 9 15.645 15.759 10.261 63 H ILE 10 HN ILE 10 17.883 14.817 6.943 64 HA ILE 10 HA ILE 10 19.065 12.421 5.899 65 HB ILE 10 HB ILE 10 20.036 15.299 5.521 66 HG12 ILE 10 HG12 ILE 10 17.661 15.216 4.926 67 HG13 ILE 10 HG11 ILE 10 18.630 15.405 3.476 68 HG21 ILE 10 HG21 ILE 10 20.976 14.490 3.388 69 HG22 ILE 10 HG22 ILE 10 20.415 12.856 3.758 70 HG23 ILE 10 HG23 ILE 10 21.646 13.614 4.770 71 HD11 ILE 10 HD11 ILE 10 17.278 12.884 4.426 72 HD12 ILE 10 HD12 ILE 10 18.295 13.014 2.990 73 HD13 ILE 10 HD13 ILE 10 16.788 13.921 3.088 74 H ARG 11 HN ARG 11 20.738 11.346 6.846 75 HA ARG 11 HA ARG 11 22.324 12.416 9.007 76 HB2 ARG 11 HB2 ARG 11 21.591 9.928 8.632 77 HB3 ARG 11 HB1 ARG 11 22.921 9.831 7.495 78 HG2 ARG 11 HG2 ARG 11 23.158 10.408 10.480 79 HG3 ARG 11 HG1 ARG 11 23.483 8.862 9.700 80 HD2 ARG 11 HD2 ARG 11 25.321 10.063 8.389 81 HD3 ARG 11 HD1 ARG 11 25.075 11.438 9.474 82 HE ARG 11 HE ARG 11 25.593 8.863 10.739 83 HH11 ARG 11 HH11 ARG 11 27.013 11.918 9.724 84 HH12 ARG 11 HH12 ARG 11 28.438 11.680 10.678 85 HH21 ARG 11 HH21 ARG 11 27.489 8.564 11.908 86 HH22 ARG 11 HH22 ARG 11 28.709 9.795 11.900 87 H LYS 12 HN LYS 12 23.105 11.233 5.682 88 HA LYS 12 HA LYS 12 25.146 13.345 5.360 89 HB2 LYS 12 HB2 LYS 12 25.537 10.389 4.727 90 HB3 LYS 12 HB1 LYS 12 26.574 11.660 4.081 91 HG2 LYS 12 HG2 LYS 12 27.201 12.290 6.409 92 HG3 LYS 12 HG1 LYS 12 26.214 10.951 7.006 93 HD2 LYS 12 HD2 LYS 12 27.648 9.340 5.809 94 HD3 LYS 12 HD1 LYS 12 28.614 10.668 5.154 95 HE2 LYS 12 HE2 LYS 12 28.340 9.953 8.095 96 HE3 LYS 12 HE1 LYS 12 29.735 9.608 7.069 97 HZ1 LYS 12 HZ1 LYS 12 30.034 12.005 6.767 98 HZ2 LYS 12 HZ2 LYS 12 30.115 11.571 8.400 99 HZ3 LYS 12 HZ3 LYS 12 28.726 12.313 7.785 100 H LYS 13 HN LYS 13 25.780 13.560 3.004 101 HA LYS 13 HA LYS 13 23.504 13.280 1.187 102 HB2 LYS 13 HB2 LYS 13 22.871 15.242 2.498 103 HB3 LYS 13 HB1 LYS 13 24.476 15.943 2.325 104 HG2 LYS 13 HG2 LYS 13 24.105 16.322 -0.053 105 HG3 LYS 13 HG1 LYS 13 22.554 15.486 0.027 106 HD2 LYS 13 HD2 LYS 13 21.774 17.276 1.653 107 HD3 LYS 13 HD1 LYS 13 23.282 18.139 1.323 108 HE2 LYS 13 HE2 LYS 13 21.159 17.425 -0.743 109 HE3 LYS 13 HE1 LYS 13 21.402 19.025 -0.028 110 HZ1 LYS 13 HZ1 LYS 13 23.406 17.561 -1.661 111 HZ2 LYS 13 HZ2 LYS 13 23.564 19.124 -1.048 112 HZ3 LYS 13 HZ3 LYS 13 22.402 18.805 -2.228 113 H ARG 14 HN ARG 14 24.181 13.253 -0.904 114 HA ARG 14 HA ARG 14 26.580 14.460 -1.892 115 HB2 ARG 14 HB2 ARG 14 27.959 12.527 -2.279 116 HB3 ARG 14 HB1 ARG 14 27.500 12.477 -0.581 117 HG2 ARG 14 HG2 ARG 14 25.739 10.788 -1.152 118 HG3 ARG 14 HG1 ARG 14 26.318 10.804 -2.823 119 HD2 ARG 14 HD2 ARG 14 28.634 10.209 -1.810 120 HD3 ARG 14 HD1 ARG 14 27.729 9.807 -0.343 121 HE ARG 14 HE ARG 14 26.394 8.360 -2.131 122 HH11 ARG 14 HH11 ARG 14 29.884 8.714 -1.778 123 HH12 ARG 14 HH12 ARG 14 30.219 7.147 -2.439 124 HH21 ARG 14 HH21 ARG 14 26.853 6.353 -3.032 125 HH22 ARG 14 HH22 ARG 14 28.494 5.801 -3.145 126 H VAL 15 HN VAL 15 27.041 13.592 -4.216 127 HA VAL 15 HA VAL 15 24.700 12.302 -5.499 128 HB VAL 15 HB VAL 15 26.472 14.343 -6.926 129 HG11 VAL 15 HG11 VAL 15 23.816 13.098 -7.747 130 HG12 VAL 15 HG12 VAL 15 25.399 12.687 -8.410 131 HG13 VAL 15 HG13 VAL 15 24.721 14.294 -8.680 132 HG21 VAL 15 HG21 VAL 15 23.713 14.852 -5.735 133 HG22 VAL 15 HG22 VAL 15 24.603 15.974 -6.769 134 HG23 VAL 15 HG23 VAL 15 25.234 15.556 -5.175 135 H ARG 16 HN ARG 16 25.324 10.324 -6.172 136 HA ARG 16 HA ARG 16 28.138 9.814 -6.938 137 HB2 ARG 16 HB2 ARG 16 27.428 8.529 -4.946 138 HB3 ARG 16 HB1 ARG 16 26.049 7.885 -5.822 139 HG2 ARG 16 HG2 ARG 16 27.814 6.202 -5.669 140 HG3 ARG 16 HG1 ARG 16 27.571 6.678 -7.354 141 HD2 ARG 16 HD2 ARG 16 29.529 8.273 -7.067 142 HD3 ARG 16 HD1 ARG 16 29.825 7.510 -5.500 143 HE ARG 16 HE ARG 16 29.706 5.491 -7.437 144 HH11 ARG 16 HH11 ARG 16 31.829 8.169 -6.592 145 HH12 ARG 16 HH12 ARG 16 33.225 7.442 -7.322 146 HH21 ARG 16 HH21 ARG 16 31.528 4.562 -8.373 147 HH22 ARG 16 HH22 ARG 16 33.048 5.395 -8.349 148 H LYS 17 HN LYS 17 28.075 10.190 -9.086 149 HA LYS 17 HA LYS 17 27.789 9.876 -11.287 150 HB2 LYS 17 HB2 LYS 17 28.762 7.684 -10.605 151 HB3 LYS 17 HB1 LYS 17 27.145 7.016 -10.457 152 HG2 LYS 17 HG2 LYS 17 28.232 6.314 -12.550 153 HG3 LYS 17 HG1 LYS 17 26.781 7.269 -12.870 154 HD2 LYS 17 HD2 LYS 17 28.221 9.265 -13.285 155 HD3 LYS 17 HD1 LYS 17 29.652 8.266 -13.008 156 HE2 LYS 17 HE2 LYS 17 29.250 8.559 -15.401 157 HE3 LYS 17 HE1 LYS 17 29.036 6.867 -14.961 158 HZ1 LYS 17 HZ1 LYS 17 26.657 7.170 -14.997 159 HZ2 LYS 17 HZ2 LYS 17 27.308 7.701 -16.469 160 HZ3 LYS 17 HZ3 LYS 17 26.830 8.821 -15.300 161 H GLY 18 HN GLY 18 25.720 11.226 -10.473 162 HA2 GLY 18 HA2 GLY 18 23.855 11.990 -11.678 163 HA3 GLY 18 HA1 GLY 18 23.603 10.379 -12.327 164 H LYS 19 HN LYS 19 23.900 9.427 -9.332 165 HA LYS 19 HA LYS 19 21.062 9.828 -8.645 166 HB2 LYS 19 HB2 LYS 19 23.152 8.094 -7.238 167 HB3 LYS 19 HB1 LYS 19 21.439 8.194 -6.836 168 HG2 LYS 19 HG2 LYS 19 21.029 7.312 -9.242 169 HG3 LYS 19 HG1 LYS 19 22.747 6.883 -9.225 170 HD2 LYS 19 HD2 LYS 19 22.284 5.647 -7.023 171 HD3 LYS 19 HD1 LYS 19 20.567 5.903 -7.335 172 HE2 LYS 19 HE2 LYS 19 21.225 3.657 -8.019 173 HE3 LYS 19 HE1 LYS 19 20.800 4.601 -9.448 174 HZ1 LYS 19 HZ1 LYS 19 23.572 4.195 -8.482 175 HZ2 LYS 19 HZ2 LYS 19 23.094 4.917 -9.936 176 HZ3 LYS 19 HZ3 LYS 19 22.839 3.267 -9.688 177 H VAL 20 HN VAL 20 20.584 11.532 -7.365 178 HA VAL 20 HA VAL 20 22.594 12.715 -5.598 179 HB VAL 20 HB VAL 20 19.636 13.397 -5.954 180 HG11 VAL 20 HG11 VAL 20 20.146 15.520 -4.796 181 HG12 VAL 20 HG12 VAL 20 21.798 14.970 -4.518 182 HG13 VAL 20 HG13 VAL 20 20.450 14.126 -3.755 183 HG21 VAL 20 HG21 VAL 20 20.897 13.789 -8.039 184 HG22 VAL 20 HG22 VAL 20 22.065 14.778 -7.161 185 HG23 VAL 20 HG23 VAL 20 20.392 15.320 -7.314 186 H GLU 21 HN GLU 21 23.008 11.487 -3.821 187 HA GLU 21 HA GLU 21 20.900 9.696 -2.778 188 HB2 GLU 21 HB2 GLU 21 23.927 9.424 -2.538 189 HB3 GLU 21 HB1 GLU 21 22.731 8.274 -1.936 190 HG2 GLU 21 HG2 GLU 21 22.005 7.859 -4.263 191 HG3 GLU 21 HG1 GLU 21 23.261 8.956 -4.844 192 H TYR 22 HN TYR 22 20.377 9.705 -0.699 193 HA TYR 22 HA TYR 22 21.815 11.467 1.190 194 HB2 TYR 22 HB2 TYR 22 18.807 10.968 1.072 195 HB3 TYR 22 HB1 TYR 22 19.646 12.020 2.208 196 HD1 TYR 22 HD2 TYR 22 21.444 13.582 0.454 197 HD2 TYR 22 HD1 TYR 22 17.410 12.355 -0.187 198 HE1 TYR 22 HE2 TYR 22 21.096 15.492 -1.045 199 HE2 TYR 22 HE1 TYR 22 17.060 14.276 -1.671 200 HH TYR 22 HH TYR 22 19.618 16.225 -2.823 201 H LEU 23 HN LEU 23 22.853 10.005 2.500 202 HA LEU 23 HA LEU 23 21.773 7.580 3.542 203 HB2 LEU 23 HB2 LEU 23 24.192 8.273 3.749 204 HB3 LEU 23 HB1 LEU 23 23.707 9.549 4.849 205 HG LEU 23 HG LEU 23 22.856 7.770 6.437 206 HD11 LEU 23 HD11 LEU 23 22.531 5.955 4.831 207 HD12 LEU 23 HD12 LEU 23 23.582 5.461 6.153 208 HD13 LEU 23 HD13 LEU 23 24.277 5.846 4.575 209 HD21 LEU 23 HD21 LEU 23 25.823 7.639 5.772 210 HD22 LEU 23 HD22 LEU 23 25.077 7.163 7.302 211 HD23 LEU 23 HD23 LEU 23 25.037 8.849 6.792 212 H VAL 24 HN VAL 24 19.694 7.763 4.339 213 HA VAL 24 HA VAL 24 18.996 10.086 5.992 214 HB VAL 24 HB VAL 24 17.202 8.030 4.642 215 HG11 VAL 24 HG11 VAL 24 16.107 8.829 6.700 216 HG12 VAL 24 HG12 VAL 24 15.294 9.489 5.280 217 HG13 VAL 24 HG13 VAL 24 16.389 10.506 6.218 218 HG21 VAL 24 HG21 VAL 24 16.551 9.936 3.185 219 HG22 VAL 24 HG22 VAL 24 18.260 9.528 3.036 220 HG23 VAL 24 HG23 VAL 24 17.768 10.935 3.979 221 H LYS 25 HN LYS 25 18.710 9.873 8.140 222 HA LYS 25 HA LYS 25 18.927 7.231 9.377 223 HB2 LYS 25 HB2 LYS 25 20.041 9.573 10.138 224 HB3 LYS 25 HB1 LYS 25 18.533 9.747 11.020 225 HG2 LYS 25 HG2 LYS 25 20.533 7.473 11.303 226 HG3 LYS 25 HG1 LYS 25 20.329 8.818 12.425 227 HD2 LYS 25 HD2 LYS 25 18.157 6.759 11.823 228 HD3 LYS 25 HD1 LYS 25 19.295 6.625 13.162 229 HE2 LYS 25 HE2 LYS 25 17.338 8.910 12.788 230 HE3 LYS 25 HE1 LYS 25 17.086 7.527 13.846 231 HZ1 LYS 25 HZ1 LYS 25 19.092 8.182 15.056 232 HZ2 LYS 25 HZ2 LYS 25 17.897 9.378 15.100 233 HZ3 LYS 25 HZ3 LYS 25 19.236 9.556 14.082 234 H TRP 26 HN TRP 26 17.097 6.105 9.452 235 HA TRP 26 HA TRP 26 14.441 7.294 9.532 236 HB2 TRP 26 HB2 TRP 26 15.194 4.327 9.679 237 HB3 TRP 26 HB1 TRP 26 13.642 5.009 9.198 238 HD1 TRP 26 HD1 TRP 26 17.265 4.618 7.878 239 HE1 TRP 26 HE1 TRP 26 17.249 4.871 5.325 240 HE3 TRP 26 HE3 TRP 26 12.337 5.803 7.184 241 HZ2 TRP 26 HZ2 TRP 26 15.441 5.498 3.294 242 HZ3 TRP 26 HZ3 TRP 26 11.547 6.206 4.890 243 HH2 TRP 26 HH2 TRP 26 13.068 6.054 2.988 244 H LYS 27 HN LYS 27 13.712 7.999 11.516 245 HA LYS 27 HA LYS 27 15.198 7.400 13.881 246 HB2 LYS 27 HB2 LYS 27 13.687 8.956 15.048 247 HB3 LYS 27 HB1 LYS 27 14.290 9.636 13.543 248 HG2 LYS 27 HG2 LYS 27 12.123 9.072 12.452 249 HG3 LYS 27 HG1 LYS 27 11.524 8.474 14.005 250 HD2 LYS 27 HD2 LYS 27 11.781 10.720 14.982 251 HD3 LYS 27 HD1 LYS 27 12.443 11.327 13.460 252 HE2 LYS 27 HE2 LYS 27 10.260 10.783 12.354 253 HE3 LYS 27 HE1 LYS 27 9.617 10.308 13.930 254 HZ1 LYS 27 HZ1 LYS 27 8.987 12.549 13.423 255 HZ2 LYS 27 HZ2 LYS 27 10.593 13.000 13.158 256 HZ3 LYS 27 HZ3 LYS 27 10.088 12.574 14.713 257 H GLY 28 HN GLY 28 12.285 6.047 12.546 258 HA2 GLY 28 HA2 GLY 28 11.167 4.870 14.874 259 HA3 GLY 28 HA1 GLY 28 10.931 4.311 13.225 260 H TRP 29 HN TRP 29 13.671 3.819 12.648 261 HA TRP 29 HA TRP 29 14.180 1.311 14.139 262 HB2 TRP 29 HB2 TRP 29 15.011 2.280 11.356 263 HB3 TRP 29 HB1 TRP 29 15.651 0.812 12.086 264 HD1 TRP 29 HD1 TRP 29 11.946 2.065 11.733 265 HE1 TRP 29 HE1 TRP 29 10.585 0.171 10.655 266 HE3 TRP 29 HE3 TRP 29 15.681 -1.348 11.027 267 HZ2 TRP 29 HZ2 TRP 29 11.027 -2.398 9.602 268 HZ3 TRP 29 HZ3 TRP 29 15.141 -3.495 9.965 269 HH2 TRP 29 HH2 TRP 29 12.856 -4.016 9.267 270 HA PRO 30 HA PRO 30 18.080 3.062 15.677 271 HB2 PRO 30 HB2 PRO 30 19.831 0.958 15.602 272 HB3 PRO 30 HB1 PRO 30 18.515 1.062 16.778 273 HG2 PRO 30 HG2 PRO 30 18.639 -0.484 14.200 274 HG3 PRO 30 HG1 PRO 30 18.037 -1.003 15.788 275 HD2 PRO 30 HD2 PRO 30 16.361 -0.175 13.790 276 HD3 PRO 30 HD1 PRO 30 15.983 0.069 15.508 277 HA PRO 31 HA PRO 31 20.186 4.834 12.212 278 HB2 PRO 31 HB2 PRO 31 22.752 5.309 13.221 279 HB3 PRO 31 HB1 PRO 31 21.326 6.294 13.575 280 HG2 PRO 31 HG2 PRO 31 22.513 4.028 15.175 281 HG3 PRO 31 HG1 PRO 31 21.970 5.625 15.734 282 HD2 PRO 31 HD2 PRO 31 20.395 3.510 16.080 283 HD3 PRO 31 HD1 PRO 31 19.678 5.054 15.541 284 H LYS 32 HN LYS 32 21.368 1.777 13.283 285 HA LYS 32 HA LYS 32 23.393 1.365 11.302 286 HB2 LYS 32 HB2 LYS 32 23.110 -1.060 11.840 287 HB3 LYS 32 HB1 LYS 32 23.346 -0.056 13.266 288 HG2 LYS 32 HG2 LYS 32 20.960 -0.174 13.798 289 HG3 LYS 32 HG1 LYS 32 20.644 -1.057 12.305 290 HD2 LYS 32 HD2 LYS 32 20.665 -2.574 14.244 291 HD3 LYS 32 HD1 LYS 32 21.971 -2.964 13.123 292 HE2 LYS 32 HE2 LYS 32 23.563 -1.742 14.591 293 HE3 LYS 32 HE1 LYS 32 22.243 -1.397 15.710 294 HZ1 LYS 32 HZ1 LYS 32 23.209 -4.096 14.975 295 HZ2 LYS 32 HZ2 LYS 32 21.976 -3.748 16.075 296 HZ3 LYS 32 HZ3 LYS 32 23.564 -3.282 16.410 297 H TYR 33 HN TYR 33 19.993 1.589 11.062 298 HA TYR 33 HA TYR 33 19.878 0.204 8.447 299 HB2 TYR 33 HB2 TYR 33 17.659 1.081 10.359 300 HB3 TYR 33 HB1 TYR 33 17.366 0.400 8.756 301 HD1 TYR 33 HD2 TYR 33 18.154 -1.960 8.251 302 HD2 TYR 33 HD1 TYR 33 18.126 -0.390 12.221 303 HE1 TYR 33 HE2 TYR 33 18.292 -4.239 9.148 304 HE2 TYR 33 HE1 TYR 33 18.263 -2.676 13.119 305 HH TYR 33 HH TYR 33 19.043 -5.366 11.197 306 H SER 34 HN SER 34 20.890 3.059 9.255 307 HA SER 34 HA SER 34 19.313 4.865 7.689 308 HB2 SER 34 HB2 SER 34 21.334 6.335 7.752 309 HB3 SER 34 HB1 SER 34 20.923 5.732 9.357 310 HG SER 34 HG SER 34 22.845 4.454 7.704 311 H THR 35 HN THR 35 19.066 4.754 5.513 312 HA THR 35 HA THR 35 20.973 3.162 3.890 313 HB THR 35 HB THR 35 19.036 2.800 2.323 314 HG1 THR 35 HG1 THR 35 17.305 3.979 2.583 315 HG21 THR 35 HG21 THR 35 17.748 1.229 3.732 316 HG22 THR 35 HG22 THR 35 18.436 1.959 5.185 317 HG23 THR 35 HG23 THR 35 19.478 1.088 4.058 318 H TRP 36 HN TRP 36 21.879 4.031 2.076 319 HA TRP 36 HA TRP 36 21.626 6.839 1.437 320 HB2 TRP 36 HB2 TRP 36 23.066 4.572 -0.037 321 HB3 TRP 36 HB1 TRP 36 23.149 6.267 -0.501 322 HD1 TRP 36 HD1 TRP 36 24.474 3.820 2.144 323 HE1 TRP 36 HE1 TRP 36 26.414 4.949 3.400 324 HE3 TRP 36 HE3 TRP 36 24.024 8.563 0.257 325 HZ2 TRP 36 HZ2 TRP 36 27.596 7.503 3.582 326 HZ3 TRP 36 HZ3 TRP 36 25.594 10.295 1.037 327 HH2 TRP 36 HH2 TRP 36 27.344 9.777 2.669 328 H GLU 37 HN GLU 37 19.456 7.047 0.992 329 HA GLU 37 HA GLU 37 18.312 5.705 -1.361 330 HB2 GLU 37 HB2 GLU 37 17.218 6.747 1.195 331 HB3 GLU 37 HB1 GLU 37 16.244 7.169 -0.202 332 HG2 GLU 37 HG2 GLU 37 17.058 4.342 0.528 333 HG3 GLU 37 HG1 GLU 37 15.512 5.086 0.946 334 HA PRO 38 HA PRO 38 19.110 9.480 -3.719 335 HB2 PRO 38 HB2 PRO 38 17.632 8.883 -5.956 336 HB3 PRO 38 HB1 PRO 38 19.192 8.131 -5.602 337 HG2 PRO 38 HG2 PRO 38 16.418 7.072 -5.083 338 HG3 PRO 38 HG1 PRO 38 17.811 6.232 -5.796 339 HD2 PRO 38 HD2 PRO 38 17.123 5.892 -3.203 340 HD3 PRO 38 HD1 PRO 38 18.829 5.889 -3.715 341 H GLU 39 HN GLU 39 17.922 11.314 -4.664 342 HA GLU 39 HA GLU 39 16.240 12.371 -2.692 343 HB2 GLU 39 HB2 GLU 39 16.076 14.393 -4.068 344 HB3 GLU 39 HB1 GLU 39 17.727 13.792 -4.064 345 HG2 GLU 39 HG2 GLU 39 17.591 13.040 -6.297 346 HG3 GLU 39 HG1 GLU 39 15.836 13.091 -6.310 347 H GLU 40 HN GLU 40 15.309 10.466 -5.315 348 HA GLU 40 HA GLU 40 12.785 11.388 -6.080 349 HB2 GLU 40 HB2 GLU 40 13.344 8.419 -5.795 350 HB3 GLU 40 HB1 GLU 40 12.445 9.254 -7.059 351 HG2 GLU 40 HG2 GLU 40 15.457 9.151 -6.689 352 HG3 GLU 40 HG1 GLU 40 14.519 8.350 -7.944 353 H HIS 41 HN HIS 41 13.815 9.621 -3.221 354 HA HIS 41 HA HIS 41 11.170 8.778 -2.412 355 HB2 HIS 41 HB2 HIS 41 12.212 7.557 -0.699 356 HB3 HIS 41 HB1 HIS 41 13.403 7.536 -1.988 357 HD1 HIS 41 HD1 HIS 41 13.469 7.551 1.399 358 HD2 HIS 41 HD2 HIS 41 15.148 10.176 -1.332 359 HE1 HIS 41 HE1 HIS 41 15.324 8.687 2.621 360 HE2 HIS 41 HE2 HIS 41 16.503 10.049 0.868 361 H ILE 42 HN ILE 42 12.807 11.712 -2.074 362 HA ILE 42 HA ILE 42 12.130 12.444 0.626 363 HB ILE 42 HB ILE 42 13.034 14.158 -1.741 364 HG12 ILE 42 HG12 ILE 42 14.694 12.426 -1.073 365 HG13 ILE 42 HG11 ILE 42 15.286 14.051 -0.755 366 HG21 ILE 42 HG21 ILE 42 13.653 15.887 -0.077 367 HG22 ILE 42 HG22 ILE 42 12.913 14.921 1.203 368 HG23 ILE 42 HG23 ILE 42 11.916 15.581 -0.096 369 HD11 ILE 42 HD11 ILE 42 14.183 12.131 1.298 370 HD12 ILE 42 HD12 ILE 42 14.777 13.761 1.629 371 HD13 ILE 42 HD13 ILE 42 15.881 12.525 1.028 372 H LEU 43 HN LEU 43 10.154 13.101 1.345 373 HA LEU 43 HA LEU 43 8.127 14.046 -0.615 374 HB2 LEU 43 HB2 LEU 43 7.675 13.009 2.209 375 HB3 LEU 43 HB1 LEU 43 6.445 13.328 0.990 376 HG LEU 43 HG LEU 43 8.513 11.088 0.971 377 HD11 LEU 43 HD11 LEU 43 5.489 10.969 1.146 378 HD12 LEU 43 HD12 LEU 43 6.631 10.679 2.458 379 HD13 LEU 43 HD13 LEU 43 6.588 9.587 1.080 380 HD21 LEU 43 HD21 LEU 43 8.249 11.901 -1.309 381 HD22 LEU 43 HD22 LEU 43 6.495 11.748 -1.196 382 HD23 LEU 43 HD23 LEU 43 7.518 10.311 -1.129 383 H ASP 44 HN ASP 44 10.311 15.422 1.401 384 HA ASP 44 HA ASP 44 8.662 17.753 2.067 385 HB2 ASP 44 HB2 ASP 44 8.480 16.194 4.033 386 HB3 ASP 44 HB1 ASP 44 10.231 16.186 4.183 387 HA PRO 45 HA PRO 45 12.584 19.574 0.592 388 HB2 PRO 45 HB2 PRO 45 12.076 22.203 1.299 389 HB3 PRO 45 HB1 PRO 45 11.409 21.431 -0.145 390 HG2 PRO 45 HG2 PRO 45 10.120 21.818 2.561 391 HG3 PRO 45 HG1 PRO 45 9.434 22.108 0.947 392 HD2 PRO 45 HD2 PRO 45 8.840 19.869 2.300 393 HD3 PRO 45 HD1 PRO 45 9.090 19.817 0.540 394 H ARG 46 HN ARG 46 11.344 20.386 3.828 395 HA ARG 46 HA ARG 46 13.813 21.471 4.824 396 HB2 ARG 46 HB2 ARG 46 11.301 20.621 6.317 397 HB3 ARG 46 HB1 ARG 46 12.614 21.590 6.997 398 HG2 ARG 46 HG2 ARG 46 12.142 23.397 5.423 399 HG3 ARG 46 HG1 ARG 46 10.910 22.415 4.623 400 HD2 ARG 46 HD2 ARG 46 9.583 22.409 6.718 401 HD3 ARG 46 HD1 ARG 46 10.803 23.438 7.479 402 HE ARG 46 HE ARG 46 10.283 25.127 5.747 403 HH11 ARG 46 HH11 ARG 46 7.845 22.723 6.508 404 HH12 ARG 46 HH12 ARG 46 6.535 23.695 5.929 405 HH21 ARG 46 HH21 ARG 46 8.579 26.404 5.013 406 HH22 ARG 46 HH22 ARG 46 6.952 25.814 5.114 407 H LEU 47 HN LEU 47 12.535 18.276 4.589 408 HA LEU 47 HA LEU 47 14.025 16.828 6.431 409 HB2 LEU 47 HB2 LEU 47 12.354 15.849 4.941 410 HB3 LEU 47 HB1 LEU 47 13.327 16.218 3.532 411 HG LEU 47 HG LEU 47 14.900 14.473 4.030 412 HD11 LEU 47 HD11 LEU 47 13.513 14.085 6.697 413 HD12 LEU 47 HD12 LEU 47 15.139 14.725 6.433 414 HD13 LEU 47 HD13 LEU 47 14.777 13.049 6.031 415 HD21 LEU 47 HD21 LEU 47 13.464 12.465 3.989 416 HD22 LEU 47 HD22 LEU 47 12.818 13.733 2.949 417 HD23 LEU 47 HD23 LEU 47 12.085 13.429 4.528 418 H VAL 48 HN VAL 48 15.029 18.083 3.266 419 HA VAL 48 HA VAL 48 17.821 17.283 3.611 420 HB VAL 48 HB VAL 48 16.508 18.775 1.300 421 HG11 VAL 48 HG11 VAL 48 18.483 18.058 -0.028 422 HG12 VAL 48 HG12 VAL 48 19.191 17.339 1.420 423 HG13 VAL 48 HG13 VAL 48 18.950 19.085 1.332 424 HG21 VAL 48 HG21 VAL 48 16.424 16.585 0.124 425 HG22 VAL 48 HG22 VAL 48 15.439 16.574 1.590 426 HG23 VAL 48 HG23 VAL 48 17.018 15.783 1.583 427 H MET 49 HN MET 49 15.853 20.217 3.582 428 HA MET 49 HA MET 49 18.000 22.093 3.275 429 HB2 MET 49 HB2 MET 49 15.083 22.510 4.079 430 HB3 MET 49 HB1 MET 49 16.221 23.828 3.766 431 HG2 MET 49 HG2 MET 49 15.163 21.779 1.815 432 HG3 MET 49 HG1 MET 49 14.895 23.524 1.812 433 HE1 MET 49 HE1 MET 49 15.540 23.507 -0.805 434 HE2 MET 49 HE2 MET 49 15.845 21.770 -0.727 435 HE3 MET 49 HE3 MET 49 17.054 22.851 -1.421 436 H ALA 50 HN ALA 50 16.026 21.072 6.052 437 HA ALA 50 HA ALA 50 17.231 22.807 7.969 438 HB1 ALA 50 HB1 ALA 50 16.030 21.547 9.677 439 HB2 ALA 50 HB2 ALA 50 15.661 20.271 8.513 440 HB3 ALA 50 HB3 ALA 50 14.969 21.880 8.307 441 H TYR 51 HN TYR 51 18.068 19.625 6.771 442 HA TYR 51 HA TYR 51 19.871 18.705 8.689 443 HB2 TYR 51 HB2 TYR 51 19.372 17.212 6.905 444 HB3 TYR 51 HB1 TYR 51 19.750 18.408 5.675 445 HD1 TYR 51 HD1 TYR 51 21.686 16.870 8.557 446 HD2 TYR 51 HD2 TYR 51 21.604 17.757 4.377 447 HE1 TYR 51 HE1 TYR 51 23.930 15.906 8.301 448 HE2 TYR 51 HE2 TYR 51 23.849 16.787 4.131 449 HH TYR 51 HH TYR 51 25.302 14.892 6.518 450 H GLU 52 HN GLU 52 20.415 21.028 6.032 451 HA GLU 52 HA GLU 52 23.157 21.546 6.973 452 HB2 GLU 52 HB2 GLU 52 21.810 22.455 4.394 453 HB3 GLU 52 HB1 GLU 52 23.515 22.645 4.807 454 HG2 GLU 52 HG2 GLU 52 23.646 20.117 4.938 455 HG3 GLU 52 HG1 GLU 52 22.024 20.067 4.251 456 H GLU 53 HN GLU 53 20.036 22.859 7.241 457 HA GLU 53 HA GLU 53 19.127 24.758 8.032 458 HB2 GLU 53 HB2 GLU 53 21.889 25.143 9.245 459 HB3 GLU 53 HB1 GLU 53 20.488 26.125 9.664 460 HG2 GLU 53 HG2 GLU 53 20.537 23.110 10.014 461 HG3 GLU 53 HG1 GLU 53 21.116 24.224 11.255 462 H LYS 54 HN LYS 54 19.223 25.178 5.576 463 HA LYS 54 HA LYS 54 20.507 27.807 5.091 464 HB2 LYS 54 HB2 LYS 54 20.151 25.474 3.217 465 HB3 LYS 54 HB1 LYS 54 20.044 27.091 2.541 466 HG2 LYS 54 HG2 LYS 54 22.288 26.477 2.229 467 HG3 LYS 54 HG1 LYS 54 22.308 27.579 3.609 468 HD2 LYS 54 HD2 LYS 54 22.074 25.157 4.894 469 HD3 LYS 54 HD1 LYS 54 22.969 24.665 3.458 470 HE2 LYS 54 HE2 LYS 54 24.548 25.167 5.217 471 HE3 LYS 54 HE1 LYS 54 24.672 26.452 4.012 472 HZ1 LYS 54 HZ1 LYS 54 24.635 27.351 6.241 473 HZ2 LYS 54 HZ2 LYS 54 23.168 26.585 6.571 474 HZ3 LYS 54 HZ3 LYS 54 23.235 27.823 5.420 475 H GLU 55 HN GLU 55 17.508 26.454 5.723 476 HA GLU 55 HA GLU 55 15.989 28.283 4.053 477 HB2 GLU 55 HB2 GLU 55 15.016 26.080 4.771 478 HB3 GLU 55 HB1 GLU 55 14.989 26.651 6.437 479 HG2 GLU 55 HG2 GLU 55 13.419 28.430 5.829 480 HG3 GLU 55 HG1 GLU 55 13.495 27.956 4.138 481 H GLU 56 HN GLU 56 16.940 30.231 4.543 482 HA GLU 56 HA GLU 56 16.485 31.388 7.234 483 HB2 GLU 56 HB2 GLU 56 18.889 31.162 6.723 484 HB3 GLU 56 HB1 GLU 56 18.673 32.010 5.196 485 HG2 GLU 56 HG2 GLU 56 18.125 34.079 6.389 486 HG3 GLU 56 HG1 GLU 56 18.232 33.237 7.931 487 H1 ALA 1 HT1 ALA 1 1.439 20.478 16.185 488 H2 ALA 1 HT2 ALA 1 2.680 21.409 16.853 489 H3 ALA 1 HT3 ALA 1 2.790 19.723 16.843 490 HA ALA 1 HA ALA 1 2.735 21.447 14.449 491 HB1 ALA 1 HB1 ALA 1 5.118 20.842 14.174 492 HB2 ALA 1 HB2 ALA 1 5.069 19.955 15.702 493 HB3 ALA 1 HB3 ALA 1 4.845 21.707 15.686 494 H ARG 2 HN ARG 2 2.699 20.361 12.493 495 HA ARG 2 HA ARG 2 2.247 17.440 12.482 496 HB2 ARG 2 HB2 ARG 2 1.578 19.649 10.506 497 HB3 ARG 2 HB1 ARG 2 1.669 17.987 9.958 498 HG2 ARG 2 HG2 ARG 2 -0.629 18.435 10.353 499 HG3 ARG 2 HG1 ARG 2 -0.093 17.391 11.666 500 HD2 ARG 2 HD2 ARG 2 0.073 19.368 13.149 501 HD3 ARG 2 HD1 ARG 2 -0.483 20.405 11.831 502 HE ARG 2 HE ARG 2 -2.071 18.626 13.482 503 HH11 ARG 2 HH11 ARG 2 -2.041 20.422 10.455 504 HH12 ARG 2 HH12 ARG 2 -3.768 20.474 10.328 505 HH21 ARG 2 HH21 ARG 2 -4.325 18.707 13.308 506 HH22 ARG 2 HH22 ARG 2 -5.064 19.494 11.953 507 H THR 3 HN THR 3 4.904 18.777 12.848 508 HA THR 3 HA THR 3 6.535 18.554 10.557 509 HB THR 3 HB THR 3 8.434 18.362 12.287 510 HG1 THR 3 HG1 THR 3 7.162 17.399 13.963 511 HG21 THR 3 HG21 THR 3 8.180 20.682 13.125 512 HG22 THR 3 HG22 THR 3 6.480 20.668 12.647 513 HG23 THR 3 HG23 THR 3 7.742 20.567 11.419 514 H LYS 4 HN LYS 4 6.247 16.704 9.442 515 HA LYS 4 HA LYS 4 7.113 14.154 10.596 516 HB2 LYS 4 HB2 LYS 4 4.607 14.266 10.766 517 HB3 LYS 4 HB1 LYS 4 4.514 14.480 9.019 518 HG2 LYS 4 HG2 LYS 4 5.603 12.236 8.742 519 HG3 LYS 4 HG1 LYS 4 5.566 12.039 10.501 520 HD2 LYS 4 HD2 LYS 4 3.084 12.233 10.442 521 HD3 LYS 4 HD1 LYS 4 3.145 12.370 8.679 522 HE2 LYS 4 HE2 LYS 4 4.153 10.102 8.563 523 HE3 LYS 4 HE1 LYS 4 4.053 9.977 10.325 524 HZ1 LYS 4 HZ1 LYS 4 1.774 10.287 8.457 525 HZ2 LYS 4 HZ2 LYS 4 1.656 10.209 10.140 526 HZ3 LYS 4 HZ3 LYS 4 2.209 8.869 9.273 527 H GLN 5 HN GLN 5 8.961 14.927 9.364 528 HA GLN 5 HA GLN 5 9.064 14.929 6.545 529 HB2 GLN 5 HB2 GLN 5 11.139 14.384 8.704 530 HB3 GLN 5 HB1 GLN 5 11.542 14.257 6.997 531 HG2 GLN 5 HG2 GLN 5 12.226 16.424 7.880 532 HG3 GLN 5 HG1 GLN 5 10.991 16.614 6.645 533 HE21 GLN 5 HE21 GLN 5 10.376 18.651 7.315 534 HE22 GLN 5 HE22 GLN 5 9.553 18.957 8.802 535 H THR 6 HN THR 6 8.608 13.304 5.229 536 HA THR 6 HA THR 6 8.785 10.501 6.141 537 HB THR 6 HB THR 6 6.646 11.588 4.263 538 HG1 THR 6 HG1 THR 6 6.773 12.217 6.740 539 HG21 THR 6 HG21 THR 6 5.449 9.496 4.815 540 HG22 THR 6 HG22 THR 6 6.788 8.989 5.850 541 HG23 THR 6 HG23 THR 6 7.027 9.142 4.107 542 H ALA 7 HN ALA 7 9.289 8.944 4.554 543 HA ALA 7 HA ALA 7 10.222 9.760 1.933 544 HB1 ALA 7 HB1 ALA 7 12.558 9.126 2.319 545 HB2 ALA 7 HB2 ALA 7 12.209 8.805 4.018 546 HB3 ALA 7 HB3 ALA 7 12.089 10.449 3.388 547 H ARG 8 HN ARG 8 10.493 8.014 0.534 548 HA ARG 8 HA ARG 8 9.477 5.395 1.334 549 HB2 ARG 8 HB2 ARG 8 10.432 6.509 -1.334 550 HB3 ARG 8 HB1 ARG 8 9.996 4.822 -1.130 551 HG2 ARG 8 HG2 ARG 8 8.174 5.944 -2.169 552 HG3 ARG 8 HG1 ARG 8 7.690 5.510 -0.533 553 HD2 ARG 8 HD2 ARG 8 7.643 7.739 0.179 554 HD3 ARG 8 HD1 ARG 8 8.747 8.272 -1.091 555 HE ARG 8 HE ARG 8 6.984 8.146 -2.670 556 HH11 ARG 8 HH11 ARG 8 5.779 7.731 0.600 557 HH12 ARG 8 HH12 ARG 8 4.165 8.182 0.181 558 HH21 ARG 8 HH21 ARG 8 4.899 8.699 -3.195 559 HH22 ARG 8 HH22 ARG 8 3.661 8.722 -1.983 560 H M3L 9 HN M3L 9 10.694 3.392 1.014 561 HA M3L 9 HA M3L 9 13.640 3.685 0.962 562 HB2 M3L 9 HB2 M3L 9 11.915 1.320 1.798 563 HB3 M3L 9 HB1 M3L 9 13.677 1.278 1.702 564 HG2 M3L 9 HG2 M3L 9 13.675 3.210 3.367 565 HG3 M3L 9 HG1 M3L 9 11.950 2.892 3.604 566 HD2 M3L 9 HD2 M3L 9 12.443 0.633 4.405 567 HD3 M3L 9 HD1 M3L 9 14.158 0.829 4.025 568 HE2 M3L 9 HE2 M3L 9 14.170 2.775 5.683 569 HE3 M3L 9 HE1 M3L 9 12.557 2.265 6.174 570 HM11 M3L 9 HH33 M3L 9 14.732 0.898 8.837 571 HM12 M3L 9 HH31 M3L 9 13.318 1.901 8.501 572 HM13 M3L 9 HH32 M3L 9 14.929 2.462 8.042 573 HM21 M3L 9 HH11 M3L 9 16.164 1.363 6.155 574 HM22 M3L 9 HH12 M3L 9 15.440 -0.007 5.304 575 HM23 M3L 9 HH13 M3L 9 15.982 -0.194 6.972 576 HM31 M3L 9 HH21 M3L 9 13.680 -1.024 7.609 577 HM32 M3L 9 HH22 M3L 9 13.125 -0.816 5.948 578 HM33 M3L 9 HH23 M3L 9 12.258 -0.032 7.271 579 H SER 10 HN SER 10 14.672 1.607 -0.085 580 HA SER 10 HA SER 10 14.272 1.531 -2.850 581 HB2 SER 10 HB2 SER 10 15.449 -0.702 -1.113 582 HB3 SER 10 HB1 SER 10 15.791 -0.400 -2.820 583 HG SER 10 HG SER 10 16.484 1.791 -1.913 584 H THR 11 HN THR 11 12.209 1.051 -3.626 585 HA THR 11 HA THR 11 10.361 -0.721 -2.439 586 HB THR 11 HB THR 11 10.391 0.197 -5.358 587 HG1 THR 11 HG1 THR 11 8.903 1.831 -4.384 588 HG21 THR 11 HG21 THR 11 8.098 -0.664 -3.547 589 HG22 THR 11 HG22 THR 11 8.750 -1.601 -4.895 590 HG23 THR 11 HG23 THR 11 7.934 -0.066 -5.198 591 H GLY 12 HN GLY 12 11.171 -2.739 -2.079 592 HA2 GLY 12 HA2 GLY 12 11.332 -4.999 -2.607 593 HA3 GLY 12 HA1 GLY 12 11.359 -4.607 -4.314 594 H GLY 13 HN GLY 13 13.619 -2.579 -3.259 595 HA2 GLY 13 HA2 GLY 13 15.915 -2.557 -3.092 596 HA3 GLY 13 HA1 GLY 13 15.889 -4.278 -2.720 597 H LYS 14 HN LYS 14 15.402 -2.008 -5.422 598 HA LYS 14 HA LYS 14 16.112 -4.035 -7.419 599 HB2 LYS 14 HB2 LYS 14 15.162 -1.159 -7.742 600 HB3 LYS 14 HB1 LYS 14 15.386 -2.307 -9.065 601 HG2 LYS 14 HG2 LYS 14 13.597 -3.723 -8.185 602 HG3 LYS 14 HG1 LYS 14 13.428 -2.677 -6.768 603 HD2 LYS 14 HD2 LYS 14 12.712 -0.817 -8.229 604 HD3 LYS 14 HD1 LYS 14 12.885 -1.853 -9.650 605 HE2 LYS 14 HE2 LYS 14 11.095 -3.323 -8.813 606 HE3 LYS 14 HE1 LYS 14 10.956 -2.350 -7.346 607 HZ1 LYS 14 HZ1 LYS 14 9.251 -1.753 -8.905 608 HZ2 LYS 14 HZ2 LYS 14 10.392 -1.445 -10.113 609 HZ3 LYS 14 HZ3 LYS 14 10.329 -0.462 -8.739 610 H ALA 15 HN ALA 15 17.410 -1.122 -5.940 611 HA ALA 15 HA ALA 15 20.004 -1.578 -7.276 612 HB1 ALA 15 HB1 ALA 15 18.906 0.259 -8.513 613 HB2 ALA 15 HB2 ALA 15 20.331 0.834 -7.644 614 HB3 ALA 15 HB3 ALA 15 18.718 1.169 -7.010 Start of MODEL 16 1 H1 GLY 1 HT1 GLY 1 4.023 -2.447 -3.445 2 H2 GLY 1 HT2 GLY 1 2.410 -2.646 -2.975 3 H3 GLY 1 HT3 GLY 1 3.636 -2.651 -1.813 4 HA2 GLY 1 HA1 GLY 1 2.854 -0.339 -3.489 5 HA3 GLY 1 HA2 GLY 1 2.441 -0.560 -1.794 6 H GLU 2 HN GLU 2 3.507 1.542 -1.515 7 HA GLU 2 HA GLU 2 6.441 1.605 -1.815 8 HB2 GLU 2 HB2 GLU 2 5.062 3.461 -2.758 9 HB3 GLU 2 HB1 GLU 2 4.459 3.834 -1.147 10 HG2 GLU 2 HG2 GLU 2 6.194 5.412 -1.813 11 HG3 GLU 2 HG1 GLU 2 6.709 4.458 -0.427 12 H GLN 3 HN GLN 3 7.801 2.265 -0.086 13 HA GLN 3 HA GLN 3 6.794 1.757 2.657 14 HB2 GLN 3 HB2 GLN 3 9.638 1.611 1.557 15 HB3 GLN 3 HB1 GLN 3 9.154 1.232 3.211 16 HG2 GLN 3 HG2 GLN 3 7.887 -0.697 2.430 17 HG3 GLN 3 HG1 GLN 3 8.248 -0.301 0.747 18 HE21 GLN 3 HE21 GLN 3 10.388 -0.565 -0.015 19 HE22 GLN 3 HE22 GLN 3 11.509 -1.594 0.800 20 H VAL 4 HN VAL 4 6.069 3.956 3.066 21 HA VAL 4 HA VAL 4 8.295 5.882 3.433 22 HB VAL 4 HB VAL 4 6.618 7.650 3.836 23 HG11 VAL 4 HG11 VAL 4 5.821 7.908 1.511 24 HG12 VAL 4 HG12 VAL 4 6.212 6.216 1.186 25 HG13 VAL 4 HG13 VAL 4 7.499 7.362 1.576 26 HG21 VAL 4 HG21 VAL 4 4.736 6.329 4.708 27 HG22 VAL 4 HG22 VAL 4 4.492 5.584 3.126 28 HG23 VAL 4 HG23 VAL 4 4.214 7.317 3.340 29 H PHE 5 HN PHE 5 9.179 5.956 5.347 30 HA PHE 5 HA PHE 5 7.645 5.232 7.775 31 HB2 PHE 5 HB2 PHE 5 10.561 4.672 7.084 32 HB3 PHE 5 HB1 PHE 5 9.955 4.584 8.735 33 HD1 PHE 5 HD2 PHE 5 9.342 3.151 5.304 34 HD2 PHE 5 HD1 PHE 5 9.033 2.555 9.530 35 HE1 PHE 5 HE2 PHE 5 8.630 0.826 4.931 36 HE2 PHE 5 HE1 PHE 5 8.322 0.229 9.145 37 HZ PHE 5 HZ PHE 5 8.120 -0.636 6.848 38 H ALA 6 HN ALA 6 8.270 6.345 9.717 39 HA ALA 6 HA ALA 6 8.522 9.158 9.374 40 HB1 ALA 6 HB1 ALA 6 8.444 9.261 11.833 41 HB2 ALA 6 HB2 ALA 6 8.667 7.512 11.923 42 HB3 ALA 6 HB3 ALA 6 7.201 8.180 11.201 43 H VAL 7 HN VAL 7 10.298 10.369 9.285 44 HA VAL 7 HA VAL 7 12.943 9.095 9.490 45 HB VAL 7 HB VAL 7 13.779 10.878 8.078 46 HG11 VAL 7 HG11 VAL 7 12.403 10.642 6.030 47 HG12 VAL 7 HG12 VAL 7 11.090 9.955 6.991 48 HG13 VAL 7 HG13 VAL 7 12.626 9.097 6.853 49 HG21 VAL 7 HG21 VAL 7 12.308 12.747 7.278 50 HG22 VAL 7 HG22 VAL 7 12.638 12.805 9.008 51 HG23 VAL 7 HG23 VAL 7 11.077 12.223 8.430 52 H GLU 8 HN GLU 8 14.611 10.010 10.643 53 HA GLU 8 HA GLU 8 14.144 12.038 12.660 54 HB2 GLU 8 HB2 GLU 8 15.696 10.188 13.166 55 HB3 GLU 8 HB1 GLU 8 16.670 10.569 11.761 56 HG2 GLU 8 HG2 GLU 8 17.778 11.312 13.789 57 HG3 GLU 8 HG1 GLU 8 17.355 12.686 12.768 58 H SER 9 HN SER 9 16.753 11.840 10.239 59 HA SER 9 HA SER 9 16.078 14.225 8.793 60 HB2 SER 9 HB2 SER 9 18.512 14.270 10.649 61 HB3 SER 9 HB1 SER 9 18.180 15.477 9.403 62 HG SER 9 HG SER 9 16.014 15.370 10.850 63 H ILE 10 HN ILE 10 18.299 14.711 7.415 64 HA ILE 10 HA ILE 10 19.216 12.208 6.264 65 HB ILE 10 HB ILE 10 20.104 15.075 5.697 66 HG12 ILE 10 HG12 ILE 10 17.767 14.825 5.094 67 HG13 ILE 10 HG11 ILE 10 18.710 14.825 3.609 68 HG21 ILE 10 HG21 ILE 10 20.689 12.550 4.108 69 HG22 ILE 10 HG22 ILE 10 21.854 13.497 5.036 70 HG23 ILE 10 HG23 ILE 10 21.092 14.195 3.606 71 HD11 ILE 10 HD11 ILE 10 17.336 12.516 4.953 72 HD12 ILE 10 HD12 ILE 10 18.558 12.274 3.709 73 HD13 ILE 10 HD13 ILE 10 17.084 13.166 3.336 74 H ARG 11 HN ARG 11 20.705 11.063 7.263 75 HA ARG 11 HA ARG 11 22.437 11.919 9.332 76 HB2 ARG 11 HB2 ARG 11 21.523 9.481 8.517 77 HB3 ARG 11 HB1 ARG 11 23.106 9.426 7.769 78 HG2 ARG 11 HG2 ARG 11 22.535 9.775 10.739 79 HG3 ARG 11 HG1 ARG 11 23.074 8.289 9.951 80 HD2 ARG 11 HD2 ARG 11 25.199 9.437 9.324 81 HD3 ARG 11 HD1 ARG 11 24.651 10.880 10.192 82 HE ARG 11 HE ARG 11 24.530 8.670 11.934 83 HH11 ARG 11 HH11 ARG 11 26.957 10.682 10.391 84 HH12 ARG 11 HH12 ARG 11 28.151 10.367 11.606 85 HH21 ARG 11 HH21 ARG 11 26.108 8.282 13.508 86 HH22 ARG 11 HH22 ARG 11 27.676 9.007 13.357 87 H LYS 12 HN LYS 12 23.142 10.862 5.981 88 HA LYS 12 HA LYS 12 25.393 12.770 5.766 89 HB2 LYS 12 HB2 LYS 12 25.505 9.808 5.016 90 HB3 LYS 12 HB1 LYS 12 26.700 11.001 4.509 91 HG2 LYS 12 HG2 LYS 12 27.300 11.406 6.875 92 HG3 LYS 12 HG1 LYS 12 26.104 10.201 7.377 93 HD2 LYS 12 HD2 LYS 12 27.346 8.442 6.191 94 HD3 LYS 12 HD1 LYS 12 28.509 9.634 5.595 95 HE2 LYS 12 HE2 LYS 12 28.053 8.940 8.517 96 HE3 LYS 12 HE1 LYS 12 29.385 8.352 7.521 97 HZ1 LYS 12 HZ1 LYS 12 30.079 10.200 8.874 98 HZ2 LYS 12 HZ2 LYS 12 28.857 11.183 8.246 99 HZ3 LYS 12 HZ3 LYS 12 30.117 10.655 7.247 100 H LYS 13 HN LYS 13 26.071 13.004 3.425 101 HA LYS 13 HA LYS 13 23.951 12.621 1.466 102 HB2 LYS 13 HB2 LYS 13 23.217 14.722 2.523 103 HB3 LYS 13 HB1 LYS 13 24.832 15.408 2.368 104 HG2 LYS 13 HG2 LYS 13 24.564 15.276 -0.146 105 HG3 LYS 13 HG1 LYS 13 22.891 14.766 0.113 106 HD2 LYS 13 HD2 LYS 13 22.399 16.911 1.231 107 HD3 LYS 13 HD1 LYS 13 24.086 17.413 1.045 108 HE2 LYS 13 HE2 LYS 13 23.823 17.321 -1.424 109 HE3 LYS 13 HE1 LYS 13 22.136 16.846 -1.223 110 HZ1 LYS 13 HZ1 LYS 13 21.736 18.956 -0.111 111 HZ2 LYS 13 HZ2 LYS 13 22.335 19.188 -1.677 112 HZ3 LYS 13 HZ3 LYS 13 23.347 19.404 -0.341 113 H ARG 14 HN ARG 14 24.711 12.630 -0.562 114 HA ARG 14 HA ARG 14 27.233 13.680 -1.419 115 HB2 ARG 14 HB2 ARG 14 28.134 11.381 -2.109 116 HB3 ARG 14 HB1 ARG 14 28.192 11.737 -0.384 117 HG2 ARG 14 HG2 ARG 14 26.207 10.368 0.017 118 HG3 ARG 14 HG1 ARG 14 26.035 10.055 -1.718 119 HD2 ARG 14 HD2 ARG 14 28.473 9.265 -0.082 120 HD3 ARG 14 HD1 ARG 14 27.099 8.199 -0.379 121 HE ARG 14 HE ARG 14 27.573 8.423 -2.787 122 HH11 ARG 14 HH11 ARG 14 30.221 9.035 -0.550 123 HH12 ARG 14 HH12 ARG 14 31.442 8.639 -1.718 124 HH21 ARG 14 HH21 ARG 14 29.167 7.968 -4.302 125 HH22 ARG 14 HH22 ARG 14 30.840 8.034 -3.852 126 H VAL 15 HN VAL 15 27.610 12.563 -3.786 127 HA VAL 15 HA VAL 15 24.984 12.154 -5.117 128 HB VAL 15 HB VAL 15 27.324 13.630 -6.418 129 HG11 VAL 15 HG11 VAL 15 24.437 13.299 -7.329 130 HG12 VAL 15 HG12 VAL 15 25.846 12.499 -8.030 131 HG13 VAL 15 HG13 VAL 15 25.669 14.251 -8.162 132 HG21 VAL 15 HG21 VAL 15 24.823 14.865 -5.204 133 HG22 VAL 15 HG22 VAL 15 26.024 15.729 -6.167 134 HG23 VAL 15 HG23 VAL 15 26.474 15.050 -4.601 135 H ARG 16 HN ARG 16 24.982 10.568 -6.725 136 HA ARG 16 HA ARG 16 27.462 9.246 -7.523 137 HB2 ARG 16 HB2 ARG 16 26.515 8.091 -5.426 138 HB3 ARG 16 HB1 ARG 16 25.131 7.625 -6.402 139 HG2 ARG 16 HG2 ARG 16 26.620 5.765 -6.330 140 HG3 ARG 16 HG1 ARG 16 26.720 6.439 -7.958 141 HD2 ARG 16 HD2 ARG 16 28.800 7.626 -7.311 142 HD3 ARG 16 HD1 ARG 16 28.709 6.900 -5.703 143 HE ARG 16 HE ARG 16 29.140 5.420 -8.230 144 HH11 ARG 16 HH11 ARG 16 29.529 5.580 -4.737 145 HH12 ARG 16 HH12 ARG 16 30.654 4.265 -4.684 146 HH21 ARG 16 HH21 ARG 16 30.575 3.690 -8.144 147 HH22 ARG 16 HH22 ARG 16 31.244 3.185 -6.628 148 H LYS 17 HN LYS 17 27.327 9.269 -9.676 149 HA LYS 17 HA LYS 17 26.681 8.931 -11.820 150 HB2 LYS 17 HB2 LYS 17 25.863 6.727 -10.710 151 HB3 LYS 17 HB1 LYS 17 24.251 7.419 -10.782 152 HG2 LYS 17 HG2 LYS 17 24.460 7.545 -13.281 153 HG3 LYS 17 HG1 LYS 17 26.039 6.757 -13.159 154 HD2 LYS 17 HD2 LYS 17 23.371 5.567 -12.280 155 HD3 LYS 17 HD1 LYS 17 24.267 5.130 -13.737 156 HE2 LYS 17 HE2 LYS 17 26.079 4.203 -12.404 157 HE3 LYS 17 HE1 LYS 17 25.337 4.781 -10.912 158 HZ1 LYS 17 HZ1 LYS 17 23.480 3.305 -11.306 159 HZ2 LYS 17 HZ2 LYS 17 24.938 2.450 -11.243 160 HZ3 LYS 17 HZ3 LYS 17 24.192 2.738 -12.729 161 H GLY 18 HN GLY 18 25.803 11.262 -10.328 162 HA2 GLY 18 HA2 GLY 18 24.697 13.217 -10.936 163 HA3 GLY 18 HA1 GLY 18 23.760 12.331 -12.126 164 H LYS 19 HN LYS 19 23.307 10.411 -9.615 165 HA LYS 19 HA LYS 19 20.859 11.772 -8.701 166 HB2 LYS 19 HB2 LYS 19 21.747 8.857 -8.633 167 HB3 LYS 19 HB1 LYS 19 20.371 9.439 -7.689 168 HG2 LYS 19 HG2 LYS 19 20.627 9.667 -10.706 169 HG3 LYS 19 HG1 LYS 19 19.717 8.422 -9.857 170 HD2 LYS 19 HD2 LYS 19 17.899 9.773 -9.683 171 HD3 LYS 19 HD1 LYS 19 18.838 11.034 -8.895 172 HE2 LYS 19 HE2 LYS 19 18.634 10.664 -11.910 173 HE3 LYS 19 HE1 LYS 19 17.696 11.820 -10.963 174 HZ1 LYS 19 HZ1 LYS 19 20.646 11.788 -11.294 175 HZ2 LYS 19 HZ2 LYS 19 19.806 12.851 -10.282 176 HZ3 LYS 19 HZ3 LYS 19 19.560 12.907 -11.953 177 H VAL 20 HN VAL 20 21.040 12.902 -6.957 178 HA VAL 20 HA VAL 20 23.231 12.774 -5.149 179 HB VAL 20 HB VAL 20 20.594 14.255 -4.766 180 HG11 VAL 20 HG11 VAL 20 21.935 15.844 -3.405 181 HG12 VAL 20 HG12 VAL 20 23.353 14.812 -3.610 182 HG13 VAL 20 HG13 VAL 20 21.948 14.214 -2.722 183 HG21 VAL 20 HG21 VAL 20 23.076 15.234 -6.226 184 HG22 VAL 20 HG22 VAL 20 21.653 16.208 -5.849 185 HG23 VAL 20 HG23 VAL 20 21.516 14.847 -6.962 186 H GLU 21 HN GLU 21 23.427 11.408 -3.463 187 HA GLU 21 HA GLU 21 21.174 9.746 -2.594 188 HB2 GLU 21 HB2 GLU 21 24.140 9.542 -1.925 189 HB3 GLU 21 HB1 GLU 21 22.893 8.395 -1.423 190 HG2 GLU 21 HG2 GLU 21 22.500 7.833 -3.802 191 HG3 GLU 21 HG1 GLU 21 23.807 8.928 -4.269 192 H TYR 22 HN TYR 22 20.444 9.703 -0.558 193 HA TYR 22 HA TYR 22 21.586 11.515 1.474 194 HB2 TYR 22 HB2 TYR 22 18.628 11.091 0.811 195 HB3 TYR 22 HB1 TYR 22 19.239 12.022 2.166 196 HD1 TYR 22 HD1 TYR 22 20.315 14.214 1.811 197 HD2 TYR 22 HD2 TYR 22 18.675 12.023 -1.465 198 HE1 TYR 22 HE1 TYR 22 20.405 16.221 0.417 199 HE2 TYR 22 HE2 TYR 22 18.777 14.038 -2.859 200 HH TYR 22 HH TYR 22 18.829 16.448 -2.607 201 H LEU 23 HN LEU 23 22.453 9.998 2.841 202 HA LEU 23 HA LEU 23 21.264 7.522 3.570 203 HB2 LEU 23 HB2 LEU 23 23.676 8.126 3.948 204 HB3 LEU 23 HB1 LEU 23 23.176 9.262 5.181 205 HG LEU 23 HG LEU 23 22.274 7.352 6.535 206 HD11 LEU 23 HD11 LEU 23 22.868 5.053 5.951 207 HD12 LEU 23 HD12 LEU 23 23.547 5.599 4.417 208 HD13 LEU 23 HD13 LEU 23 21.817 5.766 4.729 209 HD21 LEU 23 HD21 LEU 23 24.459 6.470 7.258 210 HD22 LEU 23 HD22 LEU 23 24.526 8.212 6.995 211 HD23 LEU 23 HD23 LEU 23 25.211 7.113 5.794 212 H VAL 24 HN VAL 24 19.052 8.060 3.886 213 HA VAL 24 HA VAL 24 18.171 10.094 5.664 214 HB VAL 24 HB VAL 24 16.577 7.698 4.629 215 HG11 VAL 24 HG11 VAL 24 15.483 8.769 6.565 216 HG12 VAL 24 HG12 VAL 24 14.571 9.092 5.091 217 HG13 VAL 24 HG13 VAL 24 15.600 10.349 5.782 218 HG21 VAL 24 HG21 VAL 24 16.813 10.488 3.435 219 HG22 VAL 24 HG22 VAL 24 15.747 9.205 2.855 220 HG23 VAL 24 HG23 VAL 24 17.498 9.008 2.754 221 H LYS 25 HN LYS 25 18.652 9.952 7.768 222 HA LYS 25 HA LYS 25 18.687 7.480 9.271 223 HB2 LYS 25 HB2 LYS 25 20.173 9.381 9.901 224 HB3 LYS 25 HB1 LYS 25 18.770 10.396 10.208 225 HG2 LYS 25 HG2 LYS 25 19.792 9.557 12.290 226 HG3 LYS 25 HG1 LYS 25 18.124 9.001 12.104 227 HD2 LYS 25 HD2 LYS 25 18.926 6.784 11.370 228 HD3 LYS 25 HD1 LYS 25 20.602 7.337 11.456 229 HE2 LYS 25 HE2 LYS 25 19.992 5.983 13.426 230 HE3 LYS 25 HE1 LYS 25 20.399 7.634 13.887 231 HZ1 LYS 25 HZ1 LYS 25 18.439 6.805 15.041 232 HZ2 LYS 25 HZ2 LYS 25 17.636 6.580 13.573 233 HZ3 LYS 25 HZ3 LYS 25 18.059 8.138 14.076 234 H TRP 26 HN TRP 26 16.908 6.561 10.121 235 HA TRP 26 HA TRP 26 14.315 7.962 10.040 236 HB2 TRP 26 HB2 TRP 26 14.852 4.993 10.519 237 HB3 TRP 26 HB1 TRP 26 13.326 5.739 10.049 238 HD1 TRP 26 HD1 TRP 26 16.684 4.582 8.601 239 HE1 TRP 26 HE1 TRP 26 16.563 4.575 6.033 240 HE3 TRP 26 HE3 TRP 26 12.115 6.804 7.971 241 HZ2 TRP 26 HZ2 TRP 26 14.805 5.395 4.012 242 HZ3 TRP 26 HZ3 TRP 26 11.285 7.145 5.675 243 HH2 TRP 26 HH2 TRP 26 12.601 6.454 3.733 244 H LYS 27 HN LYS 27 13.088 8.254 11.969 245 HA LYS 27 HA LYS 27 14.742 8.808 14.201 246 HB2 LYS 27 HB2 LYS 27 12.587 9.582 15.333 247 HB3 LYS 27 HB1 LYS 27 13.075 10.397 13.864 248 HG2 LYS 27 HG2 LYS 27 10.709 10.137 13.797 249 HG3 LYS 27 HG1 LYS 27 11.401 9.058 12.592 250 HD2 LYS 27 HD2 LYS 27 9.570 7.963 13.737 251 HD3 LYS 27 HD1 LYS 27 11.066 7.145 14.134 252 HE2 LYS 27 HE2 LYS 27 9.688 7.345 16.130 253 HE3 LYS 27 HE1 LYS 27 11.119 8.364 16.304 254 HZ1 LYS 27 HZ1 LYS 27 8.396 9.273 15.562 255 HZ2 LYS 27 HZ2 LYS 27 9.756 10.271 15.645 256 HZ3 LYS 27 HZ3 LYS 27 9.168 9.523 17.045 257 H GLY 28 HN GLY 28 12.661 6.120 13.551 258 HA2 GLY 28 HA2 GLY 28 12.717 5.181 16.349 259 HA3 GLY 28 HA1 GLY 28 11.692 4.575 15.059 260 H TRP 29 HN TRP 29 14.777 4.936 13.857 261 HA TRP 29 HA TRP 29 15.426 2.076 14.284 262 HB2 TRP 29 HB2 TRP 29 15.618 3.670 11.688 263 HB3 TRP 29 HB1 TRP 29 16.149 2.005 11.897 264 HD1 TRP 29 HD1 TRP 29 12.843 4.073 11.936 265 HE1 TRP 29 HE1 TRP 29 10.930 2.534 11.192 266 HE3 TRP 29 HE3 TRP 29 15.418 -0.331 11.556 267 HZ2 TRP 29 HZ2 TRP 29 10.545 -0.172 10.528 268 HZ3 TRP 29 HZ3 TRP 29 14.206 -2.348 10.842 269 HH2 TRP 29 HH2 TRP 29 11.813 -2.270 10.337 270 HA PRO 30 HA PRO 30 19.497 3.740 15.463 271 HB2 PRO 30 HB2 PRO 30 20.890 1.324 15.200 272 HB3 PRO 30 HB1 PRO 30 19.958 1.800 16.626 273 HG2 PRO 30 HG2 PRO 30 19.161 0.018 14.347 274 HG3 PRO 30 HG1 PRO 30 18.880 -0.193 16.088 275 HD2 PRO 30 HD2 PRO 30 16.930 0.687 14.451 276 HD3 PRO 30 HD1 PRO 30 17.085 1.307 16.110 277 HA PRO 31 HA PRO 31 21.610 4.870 11.716 278 HB2 PRO 31 HB2 PRO 31 24.263 3.935 12.793 279 HB3 PRO 31 HB1 PRO 31 23.786 5.535 12.199 280 HG2 PRO 31 HG2 PRO 31 24.055 5.105 14.817 281 HG3 PRO 31 HG1 PRO 31 22.720 6.107 14.207 282 HD2 PRO 31 HD2 PRO 31 22.662 3.232 15.137 283 HD3 PRO 31 HD1 PRO 31 21.512 4.547 15.469 284 H LYS 32 HN LYS 32 22.271 1.605 12.808 285 HA LYS 32 HA LYS 32 23.454 0.568 10.437 286 HB2 LYS 32 HB2 LYS 32 22.855 -1.666 11.376 287 HB3 LYS 32 HB1 LYS 32 23.675 -0.622 12.535 288 HG2 LYS 32 HG2 LYS 32 21.551 -0.113 13.632 289 HG3 LYS 32 HG1 LYS 32 20.674 -1.064 12.432 290 HD2 LYS 32 HD2 LYS 32 22.762 -2.248 14.316 291 HD3 LYS 32 HD1 LYS 32 21.038 -2.190 14.681 292 HE2 LYS 32 HE2 LYS 32 21.416 -4.366 13.836 293 HE3 LYS 32 HE1 LYS 32 20.677 -3.492 12.501 294 HZ1 LYS 32 HZ1 LYS 32 23.580 -4.010 12.815 295 HZ2 LYS 32 HZ2 LYS 32 22.846 -3.237 11.506 296 HZ3 LYS 32 HZ3 LYS 32 22.539 -4.867 11.807 297 H TYR 33 HN TYR 33 20.226 1.559 10.994 298 HA TYR 33 HA TYR 33 19.212 0.040 8.655 299 HB2 TYR 33 HB2 TYR 33 17.682 1.230 11.000 300 HB3 TYR 33 HB1 TYR 33 16.918 0.532 9.578 301 HD1 TYR 33 HD1 TYR 33 17.505 -1.969 9.029 302 HD2 TYR 33 HD2 TYR 33 18.162 -0.165 12.833 303 HE1 TYR 33 HE1 TYR 33 17.544 -4.189 10.076 304 HE2 TYR 33 HE2 TYR 33 18.204 -2.383 13.886 305 HH TYR 33 HH TYR 33 17.393 -4.646 13.456 306 H SER 34 HN SER 34 20.365 3.087 9.424 307 HA SER 34 HA SER 34 18.581 4.702 7.871 308 HB2 SER 34 HB2 SER 34 20.426 6.368 7.821 309 HB3 SER 34 HB1 SER 34 20.158 5.755 9.452 310 HG SER 34 HG SER 34 22.044 4.391 7.941 311 H THR 35 HN THR 35 18.501 4.994 5.670 312 HA THR 35 HA THR 35 20.199 3.178 4.035 313 HB THR 35 HB THR 35 18.100 2.992 2.562 314 HG1 THR 35 HG1 THR 35 16.350 4.004 3.165 315 HG21 THR 35 HG21 THR 35 16.986 1.308 3.976 316 HG22 THR 35 HG22 THR 35 17.854 1.906 5.392 317 HG23 THR 35 HG23 THR 35 18.740 1.137 4.070 318 H TRP 36 HN TRP 36 21.063 3.954 2.146 319 HA TRP 36 HA TRP 36 21.124 6.774 1.594 320 HB2 TRP 36 HB2 TRP 36 22.223 4.447 -0.060 321 HB3 TRP 36 HB1 TRP 36 22.548 6.146 -0.376 322 HD1 TRP 36 HD1 TRP 36 23.635 3.254 1.839 323 HE1 TRP 36 HE1 TRP 36 25.703 3.958 3.191 324 HE3 TRP 36 HE3 TRP 36 23.657 8.265 0.755 325 HZ2 TRP 36 HZ2 TRP 36 27.153 6.313 3.741 326 HZ3 TRP 36 HZ3 TRP 36 25.419 9.676 1.749 327 HH2 TRP 36 HH2 TRP 36 27.131 8.719 3.214 328 H GLU 37 HN GLU 37 18.913 7.211 1.254 329 HA GLU 37 HA GLU 37 17.618 6.128 -1.137 330 HB2 GLU 37 HB2 GLU 37 16.543 7.910 1.081 331 HB3 GLU 37 HB1 GLU 37 15.587 7.291 -0.267 332 HG2 GLU 37 HG2 GLU 37 16.860 5.691 1.985 333 HG3 GLU 37 HG1 GLU 37 15.140 5.968 1.723 334 HA PRO 38 HA PRO 38 19.325 9.743 -3.191 335 HB2 PRO 38 HB2 PRO 38 18.249 9.320 -5.694 336 HB3 PRO 38 HB1 PRO 38 19.643 8.433 -5.064 337 HG2 PRO 38 HG2 PRO 38 16.744 7.605 -5.128 338 HG3 PRO 38 HG1 PRO 38 18.182 6.652 -5.548 339 HD2 PRO 38 HD2 PRO 38 16.944 6.388 -3.155 340 HD3 PRO 38 HD1 PRO 38 18.710 6.228 -3.313 341 H GLU 39 HN GLU 39 18.502 11.447 -4.721 342 HA GLU 39 HA GLU 39 16.868 13.221 -3.430 343 HB2 GLU 39 HB2 GLU 39 16.898 14.491 -5.638 344 HB3 GLU 39 HB1 GLU 39 18.472 13.993 -5.027 345 HG2 GLU 39 HG2 GLU 39 18.576 12.144 -6.607 346 HG3 GLU 39 HG1 GLU 39 16.926 12.455 -7.142 347 H GLU 40 HN GLU 40 15.935 10.924 -5.918 348 HA GLU 40 HA GLU 40 13.398 11.882 -6.649 349 HB2 GLU 40 HB2 GLU 40 13.008 9.542 -7.487 350 HB3 GLU 40 HB1 GLU 40 14.546 10.224 -8.009 351 HG2 GLU 40 HG2 GLU 40 15.756 8.936 -6.355 352 HG3 GLU 40 HG1 GLU 40 14.258 8.358 -5.636 353 H HIS 41 HN HIS 41 14.388 9.915 -3.898 354 HA HIS 41 HA HIS 41 11.696 8.979 -3.277 355 HB2 HIS 41 HB2 HIS 41 14.395 8.530 -1.937 356 HB3 HIS 41 HB1 HIS 41 12.887 7.878 -1.298 357 HD1 HIS 41 HD1 HIS 41 15.086 5.965 -2.102 358 HD2 HIS 41 HD2 HIS 41 12.058 7.155 -4.674 359 HE1 HIS 41 HE1 HIS 41 14.939 4.160 -3.841 360 HE2 HIS 41 HE2 HIS 41 12.942 4.797 -5.229 361 H ILE 42 HN ILE 42 13.760 11.590 -2.309 362 HA ILE 42 HA ILE 42 12.559 12.121 0.245 363 HB ILE 42 HB ILE 42 14.033 14.118 -1.531 364 HG12 ILE 42 HG12 ILE 42 15.465 12.124 -1.282 365 HG13 ILE 42 HG11 ILE 42 16.134 13.475 -0.381 366 HG21 ILE 42 HG21 ILE 42 13.691 14.026 1.488 367 HG22 ILE 42 HG22 ILE 42 12.837 15.104 0.380 368 HG23 ILE 42 HG23 ILE 42 14.581 15.245 0.577 369 HD11 ILE 42 HD11 ILE 42 15.301 12.491 1.705 370 HD12 ILE 42 HD12 ILE 42 16.371 11.398 0.832 371 HD13 ILE 42 HD13 ILE 42 14.629 11.133 0.796 372 H LEU 43 HN LEU 43 10.401 12.697 0.394 373 HA LEU 43 HA LEU 43 9.165 14.048 -1.933 374 HB2 LEU 43 HB2 LEU 43 7.005 13.189 -1.101 375 HB3 LEU 43 HB1 LEU 43 8.171 11.935 -1.461 376 HG LEU 43 HG LEU 43 8.621 11.972 1.155 377 HD11 LEU 43 HD11 LEU 43 5.860 13.200 1.014 378 HD12 LEU 43 HD12 LEU 43 7.311 13.878 1.767 379 HD13 LEU 43 HD13 LEU 43 6.557 12.442 2.445 380 HD21 LEU 43 HD21 LEU 43 7.729 10.038 -0.075 381 HD22 LEU 43 HD22 LEU 43 6.101 10.711 0.027 382 HD23 LEU 43 HD23 LEU 43 6.949 10.221 1.496 383 H ASP 44 HN ASP 44 9.820 14.491 1.469 384 HA ASP 44 HA ASP 44 8.623 17.197 1.352 385 HB2 ASP 44 HB2 ASP 44 9.633 15.547 3.700 386 HB3 ASP 44 HB1 ASP 44 9.249 17.258 3.848 387 HA PRO 45 HA PRO 45 12.904 18.571 0.497 388 HB2 PRO 45 HB2 PRO 45 12.386 21.278 0.518 389 HB3 PRO 45 HB1 PRO 45 12.045 20.241 -0.875 390 HG2 PRO 45 HG2 PRO 45 10.160 21.185 1.293 391 HG3 PRO 45 HG1 PRO 45 9.908 21.153 -0.466 392 HD2 PRO 45 HD2 PRO 45 8.875 19.240 1.130 393 HD3 PRO 45 HD1 PRO 45 9.492 18.841 -0.495 394 H ARG 46 HN ARG 46 10.844 19.345 3.155 395 HA ARG 46 HA ARG 46 12.519 20.785 4.894 396 HB2 ARG 46 HB2 ARG 46 10.276 18.819 5.530 397 HB3 ARG 46 HB1 ARG 46 10.979 19.959 6.683 398 HG2 ARG 46 HG2 ARG 46 10.193 21.848 5.291 399 HG3 ARG 46 HG1 ARG 46 9.486 20.707 4.142 400 HD2 ARG 46 HD2 ARG 46 7.901 19.928 5.801 401 HD3 ARG 46 HD1 ARG 46 8.687 20.877 7.070 402 HE ARG 46 HE ARG 46 7.248 22.045 4.753 403 HH11 ARG 46 HH11 ARG 46 8.139 22.174 8.150 404 HH12 ARG 46 HH12 ARG 46 7.310 23.670 8.433 405 HH21 ARG 46 HH21 ARG 46 6.192 24.019 5.131 406 HH22 ARG 46 HH22 ARG 46 6.217 24.715 6.716 407 H LEU 47 HN LEU 47 12.587 17.447 3.986 408 HA LEU 47 HA LEU 47 13.927 16.403 6.286 409 HB2 LEU 47 HB2 LEU 47 12.608 14.984 4.813 410 HB3 LEU 47 HB1 LEU 47 13.651 15.354 3.450 411 HG LEU 47 HG LEU 47 15.460 14.049 4.370 412 HD11 LEU 47 HD11 LEU 47 15.268 12.824 6.521 413 HD12 LEU 47 HD12 LEU 47 13.804 13.741 6.880 414 HD13 LEU 47 HD13 LEU 47 15.348 14.573 6.714 415 HD21 LEU 47 HD21 LEU 47 12.865 12.515 4.690 416 HD22 LEU 47 HD22 LEU 47 14.465 11.811 4.433 417 HD23 LEU 47 HD23 LEU 47 13.723 12.793 3.171 418 H VAL 48 HN VAL 48 15.049 17.454 3.086 419 HA VAL 48 HA VAL 48 17.859 17.056 3.649 420 HB VAL 48 HB VAL 48 16.494 18.535 1.356 421 HG11 VAL 48 HG11 VAL 48 18.826 19.278 1.575 422 HG12 VAL 48 HG12 VAL 48 18.650 18.266 0.139 423 HG13 VAL 48 HG13 VAL 48 19.381 17.601 1.602 424 HG21 VAL 48 HG21 VAL 48 15.859 16.154 1.463 425 HG22 VAL 48 HG22 VAL 48 17.562 15.689 1.464 426 HG23 VAL 48 HG23 VAL 48 16.864 16.478 0.047 427 H MET 49 HN MET 49 15.598 19.743 3.604 428 HA MET 49 HA MET 49 17.473 21.848 3.874 429 HB2 MET 49 HB2 MET 49 14.473 21.680 4.271 430 HB3 MET 49 HB1 MET 49 15.351 23.152 4.699 431 HG2 MET 49 HG2 MET 49 15.307 21.880 1.952 432 HG3 MET 49 HG1 MET 49 14.364 23.285 2.458 433 HE1 MET 49 HE1 MET 49 15.310 24.770 0.433 434 HE2 MET 49 HE2 MET 49 16.211 23.365 -0.143 435 HE3 MET 49 HE3 MET 49 17.029 24.913 0.064 436 H ALA 50 HN ALA 50 15.588 19.993 6.304 437 HA ALA 50 HA ALA 50 16.324 21.461 8.603 438 HB1 ALA 50 HB1 ALA 50 15.741 18.488 8.415 439 HB2 ALA 50 HB2 ALA 50 14.539 19.760 8.620 440 HB3 ALA 50 HB3 ALA 50 15.717 19.455 9.897 441 H TYR 51 HN TYR 51 18.013 19.020 6.782 442 HA TYR 51 HA TYR 51 20.136 18.454 8.602 443 HB2 TYR 51 HB2 TYR 51 19.575 16.811 6.958 444 HB3 TYR 51 HB1 TYR 51 19.653 17.976 5.649 445 HD1 TYR 51 HD1 TYR 51 22.038 16.712 8.310 446 HD2 TYR 51 HD2 TYR 51 21.416 17.617 4.183 447 HE1 TYR 51 HE1 TYR 51 24.311 15.932 7.790 448 HE2 TYR 51 HE2 TYR 51 23.684 16.849 3.666 449 HH TYR 51 HH TYR 51 25.832 16.521 4.810 450 H GLU 52 HN GLU 52 19.916 20.498 5.644 451 HA GLU 52 HA GLU 52 22.649 21.475 6.033 452 HB2 GLU 52 HB2 GLU 52 20.658 22.050 3.788 453 HB3 GLU 52 HB1 GLU 52 22.353 22.545 3.815 454 HG2 GLU 52 HG2 GLU 52 23.006 20.135 3.932 455 HG3 GLU 52 HG1 GLU 52 21.307 19.695 3.752 456 H GLU 53 HN GLU 53 19.442 22.989 5.544 457 HA GLU 53 HA GLU 53 18.446 24.875 6.271 458 HB2 GLU 53 HB2 GLU 53 20.482 24.567 8.504 459 HB3 GLU 53 HB1 GLU 53 19.347 25.912 8.489 460 HG2 GLU 53 HG2 GLU 53 18.486 23.006 8.421 461 HG3 GLU 53 HG1 GLU 53 18.704 23.918 9.915 462 H LYS 54 HN LYS 54 20.930 24.949 4.476 463 HA LYS 54 HA LYS 54 22.150 27.509 4.990 464 HB2 LYS 54 HB2 LYS 54 23.358 27.199 2.880 465 HB3 LYS 54 HB1 LYS 54 23.467 25.760 3.881 466 HG2 LYS 54 HG2 LYS 54 21.861 24.590 2.461 467 HG3 LYS 54 HG1 LYS 54 21.589 26.059 1.510 468 HD2 LYS 54 HD2 LYS 54 24.012 26.016 0.849 469 HD3 LYS 54 HD1 LYS 54 24.188 24.478 1.704 470 HE2 LYS 54 HE2 LYS 54 22.354 24.985 -0.669 471 HE3 LYS 54 HE1 LYS 54 23.917 24.168 -0.736 472 HZ1 LYS 54 HZ1 LYS 54 21.552 23.225 0.793 473 HZ2 LYS 54 HZ2 LYS 54 23.038 22.428 0.664 474 HZ3 LYS 54 HZ3 LYS 54 22.064 22.621 -0.699 475 H GLU 55 HN GLU 55 21.560 29.437 4.243 476 HA GLU 55 HA GLU 55 19.099 29.748 2.668 477 HB2 GLU 55 HB2 GLU 55 20.702 31.757 4.314 478 HB3 GLU 55 HB1 GLU 55 19.164 32.091 3.515 479 HG2 GLU 55 HG2 GLU 55 18.034 30.454 4.956 480 HG3 GLU 55 HG1 GLU 55 19.572 30.039 5.721 481 H GLU 56 HN GLU 56 22.026 29.175 1.782 482 HA GLU 56 HA GLU 56 22.809 31.261 0.012 483 HB2 GLU 56 HB2 GLU 56 24.384 29.522 0.868 484 HB3 GLU 56 HB1 GLU 56 23.492 28.281 -0.003 485 HG2 GLU 56 HG2 GLU 56 24.098 29.479 -2.151 486 HG3 GLU 56 HG1 GLU 56 25.129 30.542 -1.192 487 H1 ALA 1 HT1 ALA 1 1.235 23.186 9.443 488 H2 ALA 1 HT2 ALA 1 1.256 21.656 10.155 489 H3 ALA 1 HT3 ALA 1 0.582 22.964 10.987 490 HA ALA 1 HA ALA 1 -1.142 21.535 10.103 491 HB1 ALA 1 HB1 ALA 1 -1.615 23.933 10.320 492 HB2 ALA 1 HB2 ALA 1 -2.436 23.273 8.906 493 HB3 ALA 1 HB3 ALA 1 -0.967 24.231 8.703 494 H ARG 2 HN ARG 2 -0.960 19.794 8.827 495 HA ARG 2 HA ARG 2 -0.528 18.338 7.167 496 HB2 ARG 2 HB2 ARG 2 -1.179 20.713 5.373 497 HB3 ARG 2 HB1 ARG 2 -0.989 19.062 4.789 498 HG2 ARG 2 HG2 ARG 2 -3.138 20.101 6.669 499 HG3 ARG 2 HG1 ARG 2 -3.352 19.544 5.004 500 HD2 ARG 2 HD2 ARG 2 -2.625 17.873 7.438 501 HD3 ARG 2 HD1 ARG 2 -4.121 17.804 6.509 502 HE ARG 2 HE ARG 2 -2.295 17.156 4.644 503 HH11 ARG 2 HH11 ARG 2 -2.765 15.896 7.892 504 HH12 ARG 2 HH12 ARG 2 -2.129 14.333 7.503 505 HH21 ARG 2 HH21 ARG 2 -1.455 15.116 4.152 506 HH22 ARG 2 HH22 ARG 2 -1.385 13.892 5.376 507 H THR 3 HN THR 3 1.641 20.150 8.185 508 HA THR 3 HA THR 3 3.671 19.977 6.056 509 HB THR 3 HB THR 3 5.046 21.365 7.682 510 HG1 THR 3 HG1 THR 3 4.135 20.969 9.657 511 HG21 THR 3 HG21 THR 3 3.803 23.482 7.329 512 HG22 THR 3 HG22 THR 3 2.357 22.558 6.920 513 HG23 THR 3 HG23 THR 3 3.777 22.479 5.874 514 H LYS 4 HN LYS 4 5.331 18.479 6.231 515 HA LYS 4 HA LYS 4 5.695 16.891 8.649 516 HB2 LYS 4 HB2 LYS 4 5.167 14.730 7.451 517 HB3 LYS 4 HB1 LYS 4 3.767 15.762 7.718 518 HG2 LYS 4 HG2 LYS 4 3.986 16.561 5.343 519 HG3 LYS 4 HG1 LYS 4 5.258 15.362 5.106 520 HD2 LYS 4 HD2 LYS 4 2.382 14.722 5.901 521 HD3 LYS 4 HD1 LYS 4 3.008 14.644 4.255 522 HE2 LYS 4 HE2 LYS 4 3.012 12.404 5.028 523 HE3 LYS 4 HE1 LYS 4 4.690 12.917 5.135 524 HZ1 LYS 4 HZ1 LYS 4 3.988 11.670 7.075 525 HZ2 LYS 4 HZ2 LYS 4 2.782 12.804 7.405 526 HZ3 LYS 4 HZ3 LYS 4 4.406 13.250 7.502 527 H GLN 5 HN GLN 5 7.189 14.838 7.805 528 HA GLN 5 HA GLN 5 9.322 15.789 6.029 529 HB2 GLN 5 HB2 GLN 5 9.709 16.664 8.434 530 HB3 GLN 5 HB1 GLN 5 9.927 14.989 8.924 531 HG2 GLN 5 HG2 GLN 5 11.846 14.839 7.316 532 HG3 GLN 5 HG1 GLN 5 11.644 16.557 6.968 533 HE21 GLN 5 HE21 GLN 5 13.695 17.118 7.760 534 HE22 GLN 5 HE22 GLN 5 14.092 17.074 9.439 535 H THR 6 HN THR 6 9.334 13.991 4.673 536 HA THR 6 HA THR 6 9.614 11.282 5.807 537 HB THR 6 HB THR 6 7.469 11.598 3.701 538 HG1 THR 6 HG1 THR 6 6.852 13.061 5.326 539 HG21 THR 6 HG21 THR 6 8.205 9.321 4.325 540 HG22 THR 6 HG22 THR 6 6.521 9.603 4.784 541 HG23 THR 6 HG23 THR 6 7.788 9.661 6.010 542 H ALA 7 HN ALA 7 10.456 9.763 4.395 543 HA ALA 7 HA ALA 7 10.955 10.456 1.570 544 HB1 ALA 7 HB1 ALA 7 13.148 9.298 1.686 545 HB2 ALA 7 HB2 ALA 7 12.947 9.110 3.433 546 HB3 ALA 7 HB3 ALA 7 13.098 10.718 2.729 547 H ARG 8 HN ARG 8 11.215 8.585 0.239 548 HA ARG 8 HA ARG 8 9.660 6.228 1.073 549 HB2 ARG 8 HB2 ARG 8 10.633 7.118 -1.682 550 HB3 ARG 8 HB1 ARG 8 9.559 5.755 -1.357 551 HG2 ARG 8 HG2 ARG 8 7.846 7.332 -0.492 552 HG3 ARG 8 HG1 ARG 8 8.925 8.688 -0.842 553 HD2 ARG 8 HD2 ARG 8 7.774 6.758 -2.887 554 HD3 ARG 8 HD1 ARG 8 7.192 8.393 -2.570 555 HE ARG 8 HE ARG 8 9.388 9.208 -3.325 556 HH11 ARG 8 HH11 ARG 8 8.513 5.953 -4.320 557 HH12 ARG 8 HH12 ARG 8 9.403 6.056 -5.806 558 HH21 ARG 8 HH21 ARG 8 10.543 9.325 -5.237 559 HH22 ARG 8 HH22 ARG 8 10.540 7.984 -6.336 560 H M3L 9 HN M3L 9 10.547 4.092 0.762 561 HA M3L 9 HA M3L 9 13.487 4.002 0.804 562 HB2 M3L 9 HB2 M3L 9 11.446 1.871 1.554 563 HB3 M3L 9 HB1 M3L 9 13.195 1.635 1.590 564 HG2 M3L 9 HG2 M3L 9 13.284 3.606 3.224 565 HG3 M3L 9 HG1 M3L 9 11.523 3.475 3.330 566 HD2 M3L 9 HD2 M3L 9 11.712 1.185 4.206 567 HD3 M3L 9 HD1 M3L 9 13.470 1.213 3.984 568 HE2 M3L 9 HE2 M3L 9 13.479 3.245 5.564 569 HE3 M3L 9 HE1 M3L 9 11.805 2.842 5.935 570 HM11 M3L 9 HH33 M3L 9 14.563 0.326 5.413 571 HM12 M3L 9 HH31 M3L 9 14.986 0.215 7.125 572 HM13 M3L 9 HH32 M3L 9 15.343 1.691 6.219 573 HM21 M3L 9 HH11 M3L 9 12.167 -0.254 5.950 574 HM22 M3L 9 HH12 M3L 9 11.283 0.686 7.156 575 HM23 M3L 9 HH13 M3L 9 12.597 -0.383 7.659 576 HM31 M3L 9 HH21 M3L 9 13.721 1.517 8.822 577 HM32 M3L 9 HH22 M3L 9 12.400 2.585 8.340 578 HM33 M3L 9 HH23 M3L 9 14.068 3.013 7.950 579 H SER 10 HN SER 10 14.642 2.451 -0.398 580 HA SER 10 HA SER 10 13.863 2.145 -3.119 581 HB2 SER 10 HB2 SER 10 16.017 0.648 -3.119 582 HB3 SER 10 HB1 SER 10 16.188 2.365 -2.758 583 HG SER 10 HG SER 10 16.488 1.921 -0.644 584 H THR 11 HN THR 11 11.868 1.102 -2.976 585 HA THR 11 HA THR 11 11.453 -1.422 -1.691 586 HB THR 11 HB THR 11 9.663 0.096 -3.651 587 HG1 THR 11 HG1 THR 11 9.782 1.457 -1.962 588 HG21 THR 11 HG21 THR 11 8.955 -2.021 -1.578 589 HG22 THR 11 HG22 THR 11 8.959 -2.272 -3.326 590 HG23 THR 11 HG23 THR 11 7.810 -1.148 -2.598 591 H GLY 12 HN GLY 12 12.602 -3.055 -2.518 592 HA2 GLY 12 HA2 GLY 12 12.034 -4.487 -4.790 593 HA3 GLY 12 HA1 GLY 12 13.318 -3.376 -5.274 594 H GLY 13 HN GLY 13 14.988 -4.904 -5.509 595 HA2 GLY 13 HA2 GLY 13 16.452 -5.567 -3.172 596 HA3 GLY 13 HA1 GLY 13 15.592 -6.997 -3.731 597 H LYS 14 HN LYS 14 18.431 -6.572 -3.548 598 HA LYS 14 HA LYS 14 19.541 -6.383 -6.206 599 HB2 LYS 14 HB2 LYS 14 20.858 -5.713 -4.231 600 HB3 LYS 14 HB1 LYS 14 20.735 -7.334 -3.560 601 HG2 LYS 14 HG2 LYS 14 22.075 -8.192 -5.497 602 HG3 LYS 14 HG1 LYS 14 22.239 -6.529 -6.080 603 HD2 LYS 14 HD2 LYS 14 23.413 -5.919 -3.975 604 HD3 LYS 14 HD1 LYS 14 23.248 -7.583 -3.404 605 HE2 LYS 14 HE2 LYS 14 24.638 -8.364 -5.292 606 HE3 LYS 14 HE1 LYS 14 24.795 -6.701 -5.865 607 HZ1 LYS 14 HZ1 LYS 14 26.707 -7.530 -4.558 608 HZ2 LYS 14 HZ2 LYS 14 25.708 -7.615 -3.196 609 HZ3 LYS 14 HZ3 LYS 14 26.008 -6.123 -3.933 610 H ALA 15 HN ALA 15 20.203 -8.079 -7.526 611 HA ALA 15 HA ALA 15 19.217 -10.783 -6.920 612 HB1 ALA 15 HB1 ALA 15 20.304 -9.616 -9.519 613 HB2 ALA 15 HB2 ALA 15 18.602 -9.830 -9.110 614 HB3 ALA 15 HB3 ALA 15 19.638 -11.241 -9.319 Start of MODEL 17 1 H1 GLY 1 HT1 GLY 1 8.757 -1.917 -1.766 2 H2 GLY 1 HT2 GLY 1 7.782 -3.221 -2.220 3 H3 GLY 1 HT3 GLY 1 7.418 -2.331 -0.833 4 HA2 GLY 1 HA1 GLY 1 7.309 -1.366 -3.612 5 HA3 GLY 1 HA2 GLY 1 5.923 -1.729 -2.586 6 H GLU 2 HN GLU 2 5.040 0.303 -2.443 7 HA GLU 2 HA GLU 2 6.622 2.676 -1.915 8 HB2 GLU 2 HB2 GLU 2 3.628 2.199 -2.259 9 HB3 GLU 2 HB1 GLU 2 4.308 3.788 -1.919 10 HG2 GLU 2 HG2 GLU 2 4.979 2.094 -4.349 11 HG3 GLU 2 HG1 GLU 2 3.809 3.411 -4.328 12 H GLN 3 HN GLN 3 7.406 1.474 0.092 13 HA GLN 3 HA GLN 3 5.723 1.870 2.459 14 HB2 GLN 3 HB2 GLN 3 8.357 0.459 1.949 15 HB3 GLN 3 HB1 GLN 3 7.954 0.958 3.583 16 HG2 GLN 3 HG2 GLN 3 7.357 -1.356 3.280 17 HG3 GLN 3 HG1 GLN 3 5.890 -0.401 3.486 18 HE21 GLN 3 HE21 GLN 3 4.475 -0.148 1.715 19 HE22 GLN 3 HE22 GLN 3 4.561 -1.182 0.335 20 H VAL 4 HN VAL 4 5.609 3.913 3.051 21 HA VAL 4 HA VAL 4 7.957 5.682 3.013 22 HB VAL 4 HB VAL 4 6.426 7.527 3.402 23 HG11 VAL 4 HG11 VAL 4 5.016 7.429 1.381 24 HG12 VAL 4 HG12 VAL 4 5.240 5.681 1.297 25 HG13 VAL 4 HG13 VAL 4 6.618 6.759 1.075 26 HG21 VAL 4 HG21 VAL 4 4.840 6.508 4.988 27 HG22 VAL 4 HG22 VAL 4 4.166 5.506 3.703 28 HG23 VAL 4 HG23 VAL 4 3.968 7.260 3.649 29 H PHE 5 HN PHE 5 8.845 6.456 4.903 30 HA PHE 5 HA PHE 5 7.719 5.577 7.490 31 HB2 PHE 5 HB2 PHE 5 10.627 5.372 6.574 32 HB3 PHE 5 HB1 PHE 5 10.148 5.257 8.262 33 HD1 PHE 5 HD2 PHE 5 9.781 3.604 4.936 34 HD2 PHE 5 HD1 PHE 5 9.335 3.187 9.167 35 HE1 PHE 5 HE2 PHE 5 9.355 1.201 4.659 36 HE2 PHE 5 HE1 PHE 5 8.911 0.782 8.876 37 HZ PHE 5 HZ PHE 5 8.914 -0.212 6.624 38 H ALA 6 HN ALA 6 7.768 7.044 9.065 39 HA ALA 6 HA ALA 6 8.418 9.784 8.687 40 HB1 ALA 6 HB1 ALA 6 8.031 9.954 11.134 41 HB2 ALA 6 HB2 ALA 6 7.979 8.193 11.247 42 HB3 ALA 6 HB3 ALA 6 6.744 9.061 10.331 43 H VAL 7 HN VAL 7 10.375 10.795 8.950 44 HA VAL 7 HA VAL 7 12.689 9.069 9.621 45 HB VAL 7 HB VAL 7 14.036 10.584 8.201 46 HG11 VAL 7 HG11 VAL 7 13.004 8.599 7.181 47 HG12 VAL 7 HG12 VAL 7 13.096 9.919 6.018 48 HG13 VAL 7 HG13 VAL 7 11.554 9.527 6.786 49 HG21 VAL 7 HG21 VAL 7 12.919 12.301 6.799 50 HG22 VAL 7 HG22 VAL 7 12.789 12.671 8.516 51 HG23 VAL 7 HG23 VAL 7 11.402 12.006 7.651 52 H GLU 8 HN GLU 8 14.430 9.890 10.791 53 HA GLU 8 HA GLU 8 13.896 11.881 12.812 54 HB2 GLU 8 HB2 GLU 8 15.241 9.866 13.287 55 HB3 GLU 8 HB1 GLU 8 16.440 10.351 12.093 56 HG2 GLU 8 HG2 GLU 8 16.970 12.349 13.477 57 HG3 GLU 8 HG1 GLU 8 15.786 11.819 14.670 58 H SER 9 HN SER 9 16.388 11.516 10.298 59 HA SER 9 HA SER 9 16.370 14.228 9.385 60 HB2 SER 9 HB2 SER 9 18.641 13.324 11.227 61 HB3 SER 9 HB1 SER 9 18.752 14.731 10.166 62 HG SER 9 HG SER 9 16.967 14.345 12.339 63 H ILE 10 HN ILE 10 18.217 14.572 7.807 64 HA ILE 10 HA ILE 10 19.222 12.148 6.520 65 HB ILE 10 HB ILE 10 20.020 15.048 6.001 66 HG12 ILE 10 HG12 ILE 10 17.621 14.816 5.586 67 HG13 ILE 10 HG11 ILE 10 18.477 15.036 4.071 68 HG21 ILE 10 HG21 ILE 10 20.840 14.234 3.818 69 HG22 ILE 10 HG22 ILE 10 20.421 12.582 4.276 70 HG23 ILE 10 HG23 ILE 10 21.669 13.453 5.167 71 HD11 ILE 10 HD11 ILE 10 17.371 12.439 5.136 72 HD12 ILE 10 HD12 ILE 10 18.274 12.622 3.629 73 HD13 ILE 10 HD13 ILE 10 16.715 13.418 3.826 74 H ARG 11 HN ARG 11 21.090 11.202 7.136 75 HA ARG 11 HA ARG 11 22.704 12.337 9.269 76 HB2 ARG 11 HB2 ARG 11 22.051 9.683 8.485 77 HB3 ARG 11 HB1 ARG 11 23.766 9.821 8.151 78 HG2 ARG 11 HG2 ARG 11 22.433 10.373 10.827 79 HG3 ARG 11 HG1 ARG 11 23.313 8.901 10.407 80 HD2 ARG 11 HD2 ARG 11 25.394 10.107 10.262 81 HD3 ARG 11 HD1 ARG 11 24.573 11.669 10.396 82 HE ARG 11 HE ARG 11 23.964 10.126 12.671 83 HH11 ARG 11 HH11 ARG 11 26.755 11.763 11.287 84 HH12 ARG 11 HH12 ARG 11 27.484 12.071 12.826 85 HH21 ARG 11 HH21 ARG 11 24.916 10.558 14.670 86 HH22 ARG 11 HH22 ARG 11 26.424 11.407 14.757 87 H LYS 12 HN LYS 12 23.259 11.165 5.933 88 HA LYS 12 HA LYS 12 25.439 13.120 5.546 89 HB2 LYS 12 HB2 LYS 12 25.649 10.127 4.982 90 HB3 LYS 12 HB1 LYS 12 26.783 11.318 4.363 91 HG2 LYS 12 HG2 LYS 12 27.389 11.912 6.709 92 HG3 LYS 12 HG1 LYS 12 26.299 10.646 7.279 93 HD2 LYS 12 HD2 LYS 12 27.662 8.936 6.160 94 HD3 LYS 12 HD1 LYS 12 28.721 10.183 5.495 95 HE2 LYS 12 HE2 LYS 12 29.367 10.822 7.815 96 HE3 LYS 12 HE1 LYS 12 28.362 9.511 8.439 97 HZ1 LYS 12 HZ1 LYS 12 29.746 7.944 7.224 98 HZ2 LYS 12 HZ2 LYS 12 30.665 8.860 8.307 99 HZ3 LYS 12 HZ3 LYS 12 30.715 9.211 6.653 100 H LYS 13 HN LYS 13 26.121 13.030 3.088 101 HA LYS 13 HA LYS 13 23.961 12.541 1.240 102 HB2 LYS 13 HB2 LYS 13 23.122 14.626 2.255 103 HB3 LYS 13 HB1 LYS 13 24.671 15.415 1.988 104 HG2 LYS 13 HG2 LYS 13 24.287 15.121 -0.508 105 HG3 LYS 13 HG1 LYS 13 22.663 14.549 -0.122 106 HD2 LYS 13 HD2 LYS 13 22.110 16.726 0.876 107 HD3 LYS 13 HD1 LYS 13 23.759 17.300 0.602 108 HE2 LYS 13 HE2 LYS 13 23.412 17.069 -1.847 109 HE3 LYS 13 HE1 LYS 13 21.763 16.515 -1.554 110 HZ1 LYS 13 HZ1 LYS 13 21.252 18.640 -0.578 111 HZ2 LYS 13 HZ2 LYS 13 21.851 18.845 -2.143 112 HZ3 LYS 13 HZ3 LYS 13 22.839 19.173 -0.812 113 H ARG 14 HN ARG 14 24.629 12.662 -0.875 114 HA ARG 14 HA ARG 14 27.128 13.842 -1.716 115 HB2 ARG 14 HB2 ARG 14 28.252 11.781 -2.386 116 HB3 ARG 14 HB1 ARG 14 27.861 11.665 -0.672 117 HG2 ARG 14 HG2 ARG 14 25.771 10.345 -1.377 118 HG3 ARG 14 HG1 ARG 14 26.492 10.266 -2.988 119 HD2 ARG 14 HD2 ARG 14 28.524 9.188 -1.919 120 HD3 ARG 14 HD1 ARG 14 27.603 9.131 -0.402 121 HE ARG 14 HE ARG 14 26.251 7.929 -2.672 122 HH11 ARG 14 HH11 ARG 14 28.435 7.254 0.019 123 HH12 ARG 14 HH12 ARG 14 28.129 5.547 -0.034 124 HH21 ARG 14 HH21 ARG 14 25.873 5.722 -2.725 125 HH22 ARG 14 HH22 ARG 14 26.662 4.679 -1.584 126 H VAL 15 HN VAL 15 27.416 13.480 -4.123 127 HA VAL 15 HA VAL 15 25.004 12.410 -5.477 128 HB VAL 15 HB VAL 15 24.985 14.775 -5.932 129 HG11 VAL 15 HG11 VAL 15 27.853 14.599 -6.905 130 HG12 VAL 15 HG12 VAL 15 27.305 15.381 -5.422 131 HG13 VAL 15 HG13 VAL 15 26.821 16.031 -6.990 132 HG21 VAL 15 HG21 VAL 15 24.357 13.322 -7.809 133 HG22 VAL 15 HG22 VAL 15 26.026 13.310 -8.383 134 HG23 VAL 15 HG23 VAL 15 25.098 14.810 -8.402 135 H ARG 16 HN ARG 16 25.435 10.597 -6.431 136 HA ARG 16 HA ARG 16 28.091 9.970 -7.555 137 HB2 ARG 16 HB2 ARG 16 27.988 9.035 -5.237 138 HB3 ARG 16 HB1 ARG 16 26.485 8.214 -5.628 139 HG2 ARG 16 HG2 ARG 16 28.265 6.598 -5.660 140 HG3 ARG 16 HG1 ARG 16 27.718 6.843 -7.321 141 HD2 ARG 16 HD2 ARG 16 29.646 8.392 -7.673 142 HD3 ARG 16 HD1 ARG 16 30.205 8.023 -6.037 143 HE ARG 16 HE ARG 16 29.856 5.635 -7.537 144 HH11 ARG 16 HH11 ARG 16 32.089 8.334 -7.177 145 HH12 ARG 16 HH12 ARG 16 33.444 7.444 -7.786 146 HH21 ARG 16 HH21 ARG 16 31.632 4.503 -8.362 147 HH22 ARG 16 HH22 ARG 16 33.182 5.274 -8.464 148 H LYS 17 HN LYS 17 27.842 9.137 -9.567 149 HA LYS 17 HA LYS 17 26.973 8.252 -11.485 150 HB2 LYS 17 HB2 LYS 17 26.576 6.280 -9.949 151 HB3 LYS 17 HB1 LYS 17 24.961 6.888 -9.638 152 HG2 LYS 17 HG2 LYS 17 24.373 6.528 -12.018 153 HG3 LYS 17 HG1 LYS 17 25.996 5.897 -12.319 154 HD2 LYS 17 HD2 LYS 17 23.900 4.688 -10.460 155 HD3 LYS 17 HD1 LYS 17 24.395 4.049 -12.030 156 HE2 LYS 17 HE2 LYS 17 26.132 4.249 -9.540 157 HE3 LYS 17 HE1 LYS 17 25.450 2.780 -10.235 158 HZ1 LYS 17 HZ1 LYS 17 27.388 4.543 -11.633 159 HZ2 LYS 17 HZ2 LYS 17 26.832 3.033 -12.156 160 HZ3 LYS 17 HZ3 LYS 17 27.802 3.149 -10.778 161 H GLY 18 HN GLY 18 26.016 10.790 -10.330 162 HA2 GLY 18 HA2 GLY 18 24.599 12.497 -10.962 163 HA3 GLY 18 HA1 GLY 18 23.716 11.381 -11.993 164 H LYS 19 HN LYS 19 23.801 9.797 -9.177 165 HA LYS 19 HA LYS 19 21.079 10.609 -8.455 166 HB2 LYS 19 HB2 LYS 19 22.708 8.150 -7.641 167 HB3 LYS 19 HB1 LYS 19 21.003 8.430 -7.275 168 HG2 LYS 19 HG2 LYS 19 22.167 8.176 -10.061 169 HG3 LYS 19 HG1 LYS 19 21.351 6.871 -9.186 170 HD2 LYS 19 HD2 LYS 19 19.262 8.094 -9.199 171 HD3 LYS 19 HD1 LYS 19 20.039 9.537 -9.853 172 HE2 LYS 19 HE2 LYS 19 20.438 8.397 -11.978 173 HE3 LYS 19 HE1 LYS 19 19.794 6.888 -11.324 174 HZ1 LYS 19 HZ1 LYS 19 17.659 7.980 -11.027 175 HZ2 LYS 19 HZ2 LYS 19 18.148 8.033 -12.647 176 HZ3 LYS 19 HZ3 LYS 19 18.277 9.413 -11.677 177 H VAL 20 HN VAL 20 20.985 12.108 -6.929 178 HA VAL 20 HA VAL 20 23.109 12.545 -5.025 179 HB VAL 20 HB VAL 20 20.334 13.805 -5.013 180 HG11 VAL 20 HG11 VAL 20 22.954 14.776 -3.812 181 HG12 VAL 20 HG12 VAL 20 21.568 14.145 -2.918 182 HG13 VAL 20 HG13 VAL 20 21.430 15.667 -3.800 183 HG21 VAL 20 HG21 VAL 20 21.381 14.139 -7.221 184 HG22 VAL 20 HG22 VAL 20 22.818 14.816 -6.451 185 HG23 VAL 20 HG23 VAL 20 21.271 15.661 -6.333 186 H GLU 21 HN GLU 21 23.343 11.121 -3.449 187 HA GLU 21 HA GLU 21 21.066 9.596 -2.397 188 HB2 GLU 21 HB2 GLU 21 24.069 9.100 -2.211 189 HB3 GLU 21 HB1 GLU 21 22.834 8.067 -1.491 190 HG2 GLU 21 HG2 GLU 21 21.948 7.540 -3.720 191 HG3 GLU 21 HG1 GLU 21 23.140 8.603 -4.468 192 H TYR 22 HN TYR 22 20.539 9.596 -0.314 193 HA TYR 22 HA TYR 22 21.884 11.430 1.583 194 HB2 TYR 22 HB2 TYR 22 18.888 10.875 1.229 195 HB3 TYR 22 HB1 TYR 22 19.578 11.841 2.526 196 HD1 TYR 22 HD1 TYR 22 19.161 11.720 -1.192 197 HD2 TYR 22 HD2 TYR 22 19.962 14.178 2.206 198 HE1 TYR 22 HE1 TYR 22 18.973 13.725 -2.591 199 HE2 TYR 22 HE2 TYR 22 19.766 16.178 0.805 200 HH TYR 22 HH TYR 22 18.474 16.121 -2.323 201 H LEU 23 HN LEU 23 22.786 10.121 3.148 202 HA LEU 23 HA LEU 23 21.870 7.484 3.786 203 HB2 LEU 23 HB2 LEU 23 24.231 8.341 4.085 204 HB3 LEU 23 HB1 LEU 23 23.653 9.351 5.397 205 HG LEU 23 HG LEU 23 22.989 7.270 6.645 206 HD11 LEU 23 HD11 LEU 23 24.442 5.820 4.416 207 HD12 LEU 23 HD12 LEU 23 22.711 5.738 4.765 208 HD13 LEU 23 HD13 LEU 23 23.874 5.103 5.925 209 HD21 LEU 23 HD21 LEU 23 25.918 7.442 5.880 210 HD22 LEU 23 HD22 LEU 23 25.266 6.646 7.316 211 HD23 LEU 23 HD23 LEU 23 25.113 8.392 7.134 212 H VAL 24 HN VAL 24 19.628 7.821 4.179 213 HA VAL 24 HA VAL 24 18.698 9.901 5.910 214 HB VAL 24 HB VAL 24 17.169 7.603 4.635 215 HG11 VAL 24 HG11 VAL 24 16.060 10.093 6.000 216 HG12 VAL 24 HG12 VAL 24 15.916 8.432 6.584 217 HG13 VAL 24 HG13 VAL 24 15.108 8.915 5.091 218 HG21 VAL 24 HG21 VAL 24 18.191 9.112 2.989 219 HG22 VAL 24 HG22 VAL 24 17.432 10.499 3.770 220 HG23 VAL 24 HG23 VAL 24 16.436 9.273 2.990 221 H LYS 25 HN LYS 25 19.002 9.746 8.030 222 HA LYS 25 HA LYS 25 18.883 7.289 9.516 223 HB2 LYS 25 HB2 LYS 25 20.314 9.135 10.291 224 HB3 LYS 25 HB1 LYS 25 18.921 10.202 10.427 225 HG2 LYS 25 HG2 LYS 25 19.676 9.365 12.620 226 HG3 LYS 25 HG1 LYS 25 18.017 8.881 12.255 227 HD2 LYS 25 HD2 LYS 25 18.858 6.625 11.577 228 HD3 LYS 25 HD1 LYS 25 20.497 7.121 12.012 229 HE2 LYS 25 HE2 LYS 25 19.504 5.794 13.809 230 HE3 LYS 25 HE1 LYS 25 19.754 7.451 14.355 231 HZ1 LYS 25 HZ1 LYS 25 17.619 6.617 15.050 232 HZ2 LYS 25 HZ2 LYS 25 17.173 6.284 13.455 233 HZ3 LYS 25 HZ3 LYS 25 17.403 7.886 13.957 234 H TRP 26 HN TRP 26 17.006 6.286 9.608 235 HA TRP 26 HA TRP 26 14.419 7.539 9.453 236 HB2 TRP 26 HB2 TRP 26 15.098 4.639 10.148 237 HB3 TRP 26 HB1 TRP 26 13.555 5.245 9.550 238 HD1 TRP 26 HD1 TRP 26 16.981 4.117 8.377 239 HE1 TRP 26 HE1 TRP 26 17.047 4.079 5.806 240 HE3 TRP 26 HE3 TRP 26 12.540 6.424 7.422 241 HZ2 TRP 26 HZ2 TRP 26 15.444 4.937 3.662 242 HZ3 TRP 26 HZ3 TRP 26 11.870 6.791 5.083 243 HH2 TRP 26 HH2 TRP 26 13.296 6.060 3.234 244 H LYS 27 HN LYS 27 12.790 7.472 11.147 245 HA LYS 27 HA LYS 27 13.849 8.617 13.517 246 HB2 LYS 27 HB2 LYS 27 11.705 9.296 12.443 247 HB3 LYS 27 HB1 LYS 27 10.989 7.773 12.923 248 HG2 LYS 27 HG2 LYS 27 10.157 9.390 14.428 249 HG3 LYS 27 HG1 LYS 27 11.352 8.477 15.345 250 HD2 LYS 27 HD2 LYS 27 12.125 11.075 13.983 251 HD3 LYS 27 HD1 LYS 27 11.264 11.111 15.521 252 HE2 LYS 27 HE2 LYS 27 13.950 9.780 15.021 253 HE3 LYS 27 HE1 LYS 27 13.693 11.311 15.849 254 HZ1 LYS 27 HZ1 LYS 27 12.504 10.155 17.589 255 HZ2 LYS 27 HZ2 LYS 27 14.026 9.456 17.392 256 HZ3 LYS 27 HZ3 LYS 27 12.658 8.681 16.782 257 H GLY 28 HN GLY 28 11.971 5.598 13.050 258 HA2 GLY 28 HA2 GLY 28 12.505 4.799 15.844 259 HA3 GLY 28 HA1 GLY 28 11.302 4.115 14.768 260 H TRP 29 HN TRP 29 14.330 4.482 13.248 261 HA TRP 29 HA TRP 29 15.027 1.629 13.699 262 HB2 TRP 29 HB2 TRP 29 15.370 3.309 11.169 263 HB3 TRP 29 HB1 TRP 29 15.983 1.672 11.363 264 HD1 TRP 29 HD1 TRP 29 12.614 3.563 11.185 265 HE1 TRP 29 HE1 TRP 29 10.817 1.948 10.331 266 HE3 TRP 29 HE3 TRP 29 15.393 -0.731 11.003 267 HZ2 TRP 29 HZ2 TRP 29 10.585 -0.765 9.662 268 HZ3 TRP 29 HZ3 TRP 29 14.301 -2.797 10.227 269 HH2 TRP 29 HH2 TRP 29 11.943 -2.814 9.567 270 HA PRO 30 HA PRO 30 18.914 3.127 15.327 271 HB2 PRO 30 HB2 PRO 30 20.507 0.911 14.872 272 HB3 PRO 30 HB1 PRO 30 19.305 1.002 16.165 273 HG2 PRO 30 HG2 PRO 30 19.067 -0.248 13.437 274 HG3 PRO 30 HG1 PRO 30 18.562 -0.902 15.008 275 HD2 PRO 30 HD2 PRO 30 16.784 0.224 13.318 276 HD3 PRO 30 HD1 PRO 30 16.631 0.421 15.080 277 HA PRO 31 HA PRO 31 21.349 5.055 12.122 278 HB2 PRO 31 HB2 PRO 31 23.865 4.251 13.571 279 HB3 PRO 31 HB1 PRO 31 23.321 5.858 13.062 280 HG2 PRO 31 HG2 PRO 31 23.148 5.167 15.621 281 HG3 PRO 31 HG1 PRO 31 21.814 6.057 14.857 282 HD2 PRO 31 HD2 PRO 31 22.011 3.103 15.474 283 HD3 PRO 31 HD1 PRO 31 20.642 4.215 15.718 284 H LYS 32 HN LYS 32 22.197 1.720 12.833 285 HA LYS 32 HA LYS 32 23.866 1.321 10.528 286 HB2 LYS 32 HB2 LYS 32 23.581 -1.129 11.013 287 HB3 LYS 32 HB1 LYS 32 24.196 -0.179 12.359 288 HG2 LYS 32 HG2 LYS 32 22.048 -0.243 13.480 289 HG3 LYS 32 HG1 LYS 32 21.294 -1.028 12.087 290 HD2 LYS 32 HD2 LYS 32 22.664 -3.030 12.428 291 HD3 LYS 32 HD1 LYS 32 23.538 -2.245 13.746 292 HE2 LYS 32 HE2 LYS 32 20.547 -2.778 13.816 293 HE3 LYS 32 HE1 LYS 32 21.749 -3.897 14.458 294 HZ1 LYS 32 HZ1 LYS 32 22.490 -2.168 15.983 295 HZ2 LYS 32 HZ2 LYS 32 20.848 -2.501 16.198 296 HZ3 LYS 32 HZ3 LYS 32 21.323 -1.098 15.382 297 H TYR 33 HN TYR 33 20.447 1.440 10.973 298 HA TYR 33 HA TYR 33 19.854 0.150 8.394 299 HB2 TYR 33 HB2 TYR 33 18.157 0.943 10.775 300 HB3 TYR 33 HB1 TYR 33 17.390 0.695 9.207 301 HD1 TYR 33 HD1 TYR 33 19.366 -0.984 11.867 302 HD2 TYR 33 HD2 TYR 33 17.079 -1.524 8.307 303 HE1 TYR 33 HE1 TYR 33 19.360 -3.408 12.241 304 HE2 TYR 33 HE2 TYR 33 17.066 -3.951 8.678 305 HH TYR 33 HH TYR 33 18.462 -5.637 9.881 306 H SER 34 HN SER 34 20.856 3.157 9.253 307 HA SER 34 HA SER 34 19.142 4.789 7.648 308 HB2 SER 34 HB2 SER 34 20.985 6.442 7.683 309 HB3 SER 34 HB1 SER 34 20.717 5.785 9.297 310 HG SER 34 HG SER 34 22.540 4.315 7.921 311 H THR 35 HN THR 35 18.912 4.661 5.472 312 HA THR 35 HA THR 35 20.873 3.108 3.885 313 HB THR 35 HB THR 35 18.858 2.829 2.297 314 HG1 THR 35 HG1 THR 35 17.007 3.725 2.849 315 HG21 THR 35 HG21 THR 35 17.791 1.062 3.645 316 HG22 THR 35 HG22 THR 35 18.537 1.708 5.107 317 HG23 THR 35 HG23 THR 35 19.544 1.005 3.838 318 H TRP 36 HN TRP 36 21.680 3.927 1.937 319 HA TRP 36 HA TRP 36 21.653 6.776 1.518 320 HB2 TRP 36 HB2 TRP 36 22.875 4.487 -0.077 321 HB3 TRP 36 HB1 TRP 36 22.993 6.163 -0.594 322 HD1 TRP 36 HD1 TRP 36 24.600 3.669 1.738 323 HE1 TRP 36 HE1 TRP 36 26.561 4.787 2.964 324 HE3 TRP 36 HE3 TRP 36 23.699 8.541 0.448 325 HZ2 TRP 36 HZ2 TRP 36 27.587 7.387 3.357 326 HZ3 TRP 36 HZ3 TRP 36 25.216 10.287 1.292 327 HH2 TRP 36 HH2 TRP 36 27.121 9.718 2.720 328 H GLU 37 HN GLU 37 19.445 7.050 1.295 329 HA GLU 37 HA GLU 37 17.912 6.032 -0.922 330 HB2 GLU 37 HB2 GLU 37 17.406 8.052 1.282 331 HB3 GLU 37 HB1 GLU 37 16.199 7.637 0.076 332 HG2 GLU 37 HG2 GLU 37 17.453 5.599 1.925 333 HG3 GLU 37 HG1 GLU 37 15.987 6.497 2.320 334 HA PRO 38 HA PRO 38 19.220 9.571 -3.557 335 HB2 PRO 38 HB2 PRO 38 17.708 8.933 -5.761 336 HB3 PRO 38 HB1 PRO 38 19.239 8.137 -5.383 337 HG2 PRO 38 HG2 PRO 38 16.437 7.196 -4.802 338 HG3 PRO 38 HG1 PRO 38 17.796 6.278 -5.486 339 HD2 PRO 38 HD2 PRO 38 17.134 6.081 -2.868 340 HD3 PRO 38 HD1 PRO 38 18.832 6.001 -3.397 341 H GLU 39 HN GLU 39 18.196 11.439 -4.317 342 HA GLU 39 HA GLU 39 16.327 12.644 -2.710 343 HB2 GLU 39 HB2 GLU 39 16.152 14.340 -4.762 344 HB3 GLU 39 HB1 GLU 39 17.626 14.188 -3.824 345 HG2 GLU 39 HG2 GLU 39 17.987 14.333 -6.284 346 HG3 GLU 39 HG1 GLU 39 18.708 12.910 -5.540 347 H GLU 40 HN GLU 40 15.573 10.612 -5.396 348 HA GLU 40 HA GLU 40 13.041 11.380 -6.196 349 HB2 GLU 40 HB2 GLU 40 14.402 8.680 -5.992 350 HB3 GLU 40 HB1 GLU 40 12.739 8.780 -6.563 351 HG2 GLU 40 HG2 GLU 40 15.060 10.261 -7.830 352 HG3 GLU 40 HG1 GLU 40 14.466 8.689 -8.373 353 H HIS 41 HN HIS 41 13.963 9.728 -3.241 354 HA HIS 41 HA HIS 41 11.299 8.806 -2.582 355 HB2 HIS 41 HB2 HIS 41 12.304 7.624 -0.832 356 HB3 HIS 41 HB1 HIS 41 13.605 7.698 -2.011 357 HD1 HIS 41 HD1 HIS 41 14.975 10.295 -1.462 358 HD2 HIS 41 HD2 HIS 41 13.402 7.972 1.579 359 HE1 HIS 41 HE1 HIS 41 16.114 11.072 0.627 360 HE2 HIS 41 HE2 HIS 41 15.037 9.733 2.465 361 H ILE 42 HN ILE 42 12.852 11.802 -2.213 362 HA ILE 42 HA ILE 42 12.125 12.628 0.413 363 HB ILE 42 HB ILE 42 12.823 14.232 -2.094 364 HG12 ILE 42 HG12 ILE 42 14.668 12.813 -1.159 365 HG13 ILE 42 HG11 ILE 42 15.040 14.531 -1.094 366 HG21 ILE 42 HG21 ILE 42 13.166 16.214 -0.636 367 HG22 ILE 42 HG22 ILE 42 12.476 15.321 0.721 368 HG23 ILE 42 HG23 ILE 42 11.479 15.694 -0.686 369 HD11 ILE 42 HD11 ILE 42 14.132 12.825 1.222 370 HD12 ILE 42 HD12 ILE 42 14.502 14.550 1.299 371 HD13 ILE 42 HD13 ILE 42 15.771 13.389 0.909 372 H LEU 43 HN LEU 43 10.097 13.062 1.175 373 HA LEU 43 HA LEU 43 7.958 13.845 -0.743 374 HB2 LEU 43 HB2 LEU 43 7.591 12.677 2.041 375 HB3 LEU 43 HB1 LEU 43 6.360 12.891 0.805 376 HG LEU 43 HG LEU 43 8.657 10.884 0.737 377 HD11 LEU 43 HD11 LEU 43 6.882 10.232 2.274 378 HD12 LEU 43 HD12 LEU 43 6.895 9.181 0.864 379 HD13 LEU 43 HD13 LEU 43 5.668 10.443 1.010 380 HD21 LEU 43 HD21 LEU 43 6.500 11.387 -1.329 381 HD22 LEU 43 HD22 LEU 43 7.643 10.040 -1.334 382 HD23 LEU 43 HD23 LEU 43 8.231 11.687 -1.506 383 H ASP 44 HN ASP 44 10.063 15.317 1.247 384 HA ASP 44 HA ASP 44 8.298 17.532 1.954 385 HB2 ASP 44 HB2 ASP 44 8.009 16.110 3.907 386 HB3 ASP 44 HB1 ASP 44 9.745 15.846 4.034 387 HA PRO 45 HA PRO 45 12.195 19.604 0.743 388 HB2 PRO 45 HB2 PRO 45 11.438 22.181 1.377 389 HB3 PRO 45 HB1 PRO 45 10.920 21.358 -0.100 390 HG2 PRO 45 HG2 PRO 45 9.449 21.638 2.526 391 HG3 PRO 45 HG1 PRO 45 8.838 21.901 0.877 392 HD2 PRO 45 HD2 PRO 45 8.326 19.612 2.180 393 HD3 PRO 45 HD1 PRO 45 8.680 19.592 0.435 394 H ARG 46 HN ARG 46 10.588 20.144 3.861 395 HA ARG 46 HA ARG 46 12.720 21.498 5.166 396 HB2 ARG 46 HB2 ARG 46 10.397 19.938 6.374 397 HB3 ARG 46 HB1 ARG 46 11.474 20.990 7.282 398 HG2 ARG 46 HG2 ARG 46 9.543 21.843 5.102 399 HG3 ARG 46 HG1 ARG 46 9.354 22.106 6.839 400 HD2 ARG 46 HD2 ARG 46 11.415 23.348 4.987 401 HD3 ARG 46 HD1 ARG 46 10.122 24.173 5.865 402 HE ARG 46 HE ARG 46 12.297 22.805 7.326 403 HH11 ARG 46 HH11 ARG 46 10.585 25.802 6.679 404 HH12 ARG 46 HH12 ARG 46 11.495 26.693 7.857 405 HH21 ARG 46 HH21 ARG 46 13.446 23.992 8.841 406 HH22 ARG 46 HH22 ARG 46 13.115 25.677 9.056 407 H LEU 47 HN LEU 47 12.188 18.142 4.483 408 HA LEU 47 HA LEU 47 13.833 16.958 6.461 409 HB2 LEU 47 HB2 LEU 47 12.273 15.629 5.168 410 HB3 LEU 47 HB1 LEU 47 13.053 16.070 3.661 411 HG LEU 47 HG LEU 47 14.990 14.694 4.172 412 HD11 LEU 47 HD11 LEU 47 15.122 13.307 6.217 413 HD12 LEU 47 HD12 LEU 47 13.722 14.158 6.870 414 HD13 LEU 47 HD13 LEU 47 15.221 15.036 6.557 415 HD21 LEU 47 HD21 LEU 47 13.058 13.567 3.141 416 HD22 LEU 47 HD22 LEU 47 12.432 13.155 4.739 417 HD23 LEU 47 HD23 LEU 47 13.958 12.463 4.185 418 H VAL 48 HN VAL 48 14.611 17.939 3.092 419 HA VAL 48 HA VAL 48 17.422 17.341 3.293 420 HB VAL 48 HB VAL 48 16.066 19.152 1.242 421 HG11 VAL 48 HG11 VAL 48 17.983 18.566 -0.219 422 HG12 VAL 48 HG12 VAL 48 18.690 17.618 1.091 423 HG13 VAL 48 HG13 VAL 48 18.523 19.363 1.262 424 HG21 VAL 48 HG21 VAL 48 15.874 17.176 -0.220 425 HG22 VAL 48 HG22 VAL 48 14.958 16.941 1.270 426 HG23 VAL 48 HG23 VAL 48 16.521 16.149 1.063 427 H MET 49 HN MET 49 15.415 20.181 3.649 428 HA MET 49 HA MET 49 17.482 22.135 3.791 429 HB2 MET 49 HB2 MET 49 14.537 22.216 4.542 430 HB3 MET 49 HB1 MET 49 15.598 23.627 4.646 431 HG2 MET 49 HG2 MET 49 14.930 22.064 2.141 432 HG3 MET 49 HG1 MET 49 14.299 23.651 2.585 433 HE1 MET 49 HE1 MET 49 16.654 24.430 -0.482 434 HE2 MET 49 HE2 MET 49 15.016 24.552 0.154 435 HE3 MET 49 HE3 MET 49 15.683 22.973 -0.265 436 H ALA 50 HN ALA 50 15.874 20.124 6.200 437 HA ALA 50 HA ALA 50 16.814 21.462 8.542 438 HB1 ALA 50 HB1 ALA 50 16.329 19.354 9.732 439 HB2 ALA 50 HB2 ALA 50 16.137 18.519 8.186 440 HB3 ALA 50 HB3 ALA 50 15.006 19.792 8.650 441 H TYR 51 HN TYR 51 18.223 19.168 6.337 442 HA TYR 51 HA TYR 51 20.505 18.467 7.922 443 HB2 TYR 51 HB2 TYR 51 19.646 16.920 6.262 444 HB3 TYR 51 HB1 TYR 51 19.862 18.104 4.979 445 HD1 TYR 51 HD2 TYR 51 21.893 16.337 7.604 446 HD2 TYR 51 HD1 TYR 51 21.784 17.901 3.636 447 HE1 TYR 51 HE2 TYR 51 24.137 15.441 7.191 448 HE2 TYR 51 HE1 TYR 51 24.031 17.020 3.228 449 HH TYR 51 HH TYR 51 25.593 14.839 5.390 450 H GLU 52 HN GLU 52 20.063 20.528 4.996 451 HA GLU 52 HA GLU 52 22.863 21.294 4.970 452 HB2 GLU 52 HB2 GLU 52 20.576 22.197 3.165 453 HB3 GLU 52 HB1 GLU 52 22.287 22.545 2.909 454 HG2 GLU 52 HG2 GLU 52 22.654 20.019 2.861 455 HG3 GLU 52 HG1 GLU 52 20.899 19.858 2.776 456 H GLU 53 HN GLU 53 19.780 23.106 5.203 457 HA GLU 53 HA GLU 53 21.115 25.458 6.349 458 HB2 GLU 53 HB2 GLU 53 18.150 24.985 5.763 459 HB3 GLU 53 HB1 GLU 53 18.896 26.528 6.171 460 HG2 GLU 53 HG2 GLU 53 19.463 24.918 3.655 461 HG3 GLU 53 HG1 GLU 53 18.367 26.291 3.754 462 H LYS 54 HN LYS 54 21.743 23.754 8.091 463 HA LYS 54 HA LYS 54 19.644 22.840 9.863 464 HB2 LYS 54 HB2 LYS 54 21.547 21.374 9.238 465 HB3 LYS 54 HB1 LYS 54 22.664 22.465 10.048 466 HG2 LYS 54 HG2 LYS 54 21.667 21.964 12.204 467 HG3 LYS 54 HG1 LYS 54 20.402 20.996 11.445 468 HD2 LYS 54 HD2 LYS 54 23.371 20.338 11.288 469 HD3 LYS 54 HD1 LYS 54 22.281 19.660 12.499 470 HE2 LYS 54 HE2 LYS 54 22.000 19.315 9.487 471 HE3 LYS 54 HE1 LYS 54 22.636 18.109 10.607 472 HZ1 LYS 54 HZ1 LYS 54 19.878 19.217 10.637 473 HZ2 LYS 54 HZ2 LYS 54 20.490 18.076 11.727 474 HZ3 LYS 54 HZ3 LYS 54 20.325 17.679 10.093 475 H GLU 55 HN GLU 55 18.971 23.873 11.618 476 HA GLU 55 HA GLU 55 20.217 26.309 12.560 477 HB2 GLU 55 HB2 GLU 55 17.758 26.105 12.409 478 HB3 GLU 55 HB1 GLU 55 17.777 24.751 13.534 479 HG2 GLU 55 HG2 GLU 55 18.602 26.256 15.314 480 HG3 GLU 55 HG1 GLU 55 18.560 27.611 14.184 481 H GLU 56 HN GLU 56 22.215 25.661 13.445 482 HA GLU 56 HA GLU 56 22.193 23.868 15.801 483 HB2 GLU 56 HB2 GLU 56 24.500 24.779 14.018 484 HB3 GLU 56 HB1 GLU 56 24.675 23.739 15.433 485 HG2 GLU 56 HG2 GLU 56 23.246 22.042 14.343 486 HG3 GLU 56 HG1 GLU 56 23.084 23.086 12.933 487 H1 ALA 1 HT1 ALA 1 5.229 11.885 15.666 488 H2 ALA 1 HT2 ALA 1 5.706 11.330 17.192 489 H3 ALA 1 HT3 ALA 1 6.870 11.838 16.074 490 HA ALA 1 HA ALA 1 4.806 13.555 17.322 491 HB1 ALA 1 HB1 ALA 1 7.804 13.454 17.822 492 HB2 ALA 1 HB2 ALA 1 6.552 12.891 18.930 493 HB3 ALA 1 HB3 ALA 1 6.672 14.606 18.541 494 H ARG 2 HN ARG 2 4.202 14.989 15.827 495 HA ARG 2 HA ARG 2 4.087 16.464 14.128 496 HB2 ARG 2 HB2 ARG 2 5.514 18.375 14.261 497 HB3 ARG 2 HB1 ARG 2 5.373 17.757 15.901 498 HG2 ARG 2 HG2 ARG 2 7.592 16.739 15.745 499 HG3 ARG 2 HG1 ARG 2 7.736 17.240 14.062 500 HD2 ARG 2 HD2 ARG 2 7.646 19.628 14.828 501 HD3 ARG 2 HD1 ARG 2 7.641 19.048 16.501 502 HE ARG 2 HE ARG 2 9.828 17.889 15.189 503 HH11 ARG 2 HH11 ARG 2 8.818 21.091 16.248 504 HH12 ARG 2 HH12 ARG 2 10.447 21.655 16.426 505 HH21 ARG 2 HH21 ARG 2 11.930 18.658 15.390 506 HH22 ARG 2 HH22 ARG 2 12.208 20.282 15.928 507 H THR 3 HN THR 3 5.264 13.875 13.357 508 HA THR 3 HA THR 3 7.550 14.324 11.667 509 HB THR 3 HB THR 3 7.259 11.867 11.078 510 HG1 THR 3 HG1 THR 3 5.190 11.360 11.416 511 HG21 THR 3 HG21 THR 3 7.406 12.513 14.052 512 HG22 THR 3 HG22 THR 3 8.758 12.551 12.919 513 HG23 THR 3 HG23 THR 3 7.964 11.019 13.288 514 H LYS 4 HN LYS 4 6.525 15.962 10.331 515 HA LYS 4 HA LYS 4 4.726 15.080 8.198 516 HB2 LYS 4 HB2 LYS 4 6.164 17.750 8.606 517 HB3 LYS 4 HB1 LYS 4 4.919 17.420 7.401 518 HG2 LYS 4 HG2 LYS 4 4.531 17.374 10.414 519 HG3 LYS 4 HG1 LYS 4 4.025 18.668 9.322 520 HD2 LYS 4 HD2 LYS 4 2.453 17.105 8.202 521 HD3 LYS 4 HD1 LYS 4 2.978 15.805 9.275 522 HE2 LYS 4 HE2 LYS 4 1.606 18.366 10.184 523 HE3 LYS 4 HE1 LYS 4 0.817 16.801 9.981 524 HZ1 LYS 4 HZ1 LYS 4 1.434 17.290 12.295 525 HZ2 LYS 4 HZ2 LYS 4 3.064 17.314 11.854 526 HZ3 LYS 4 HZ3 LYS 4 2.173 15.887 11.717 527 H GLN 5 HN GLN 5 8.115 15.798 8.789 528 HA GLN 5 HA GLN 5 9.120 15.381 6.198 529 HB2 GLN 5 HB2 GLN 5 11.316 14.817 7.321 530 HB3 GLN 5 HB1 GLN 5 10.635 16.367 7.773 531 HG2 GLN 5 HG2 GLN 5 10.364 13.890 9.495 532 HG3 GLN 5 HG1 GLN 5 11.725 14.993 9.627 533 HE21 GLN 5 HE21 GLN 5 9.968 17.395 9.167 534 HE22 GLN 5 HE22 GLN 5 9.137 17.616 10.665 535 H THR 6 HN THR 6 8.309 13.748 5.127 536 HA THR 6 HA THR 6 8.531 10.986 6.126 537 HB THR 6 HB THR 6 6.491 11.989 4.103 538 HG1 THR 6 HG1 THR 6 6.341 12.835 6.378 539 HG21 THR 6 HG21 THR 6 6.935 9.551 4.001 540 HG22 THR 6 HG22 THR 6 5.314 9.868 4.627 541 HG23 THR 6 HG23 THR 6 6.613 9.414 5.731 542 H ALA 7 HN ALA 7 9.144 9.405 4.611 543 HA ALA 7 HA ALA 7 10.294 10.234 2.060 544 HB1 ALA 7 HB1 ALA 7 12.012 10.758 3.781 545 HB2 ALA 7 HB2 ALA 7 12.533 9.506 2.662 546 HB3 ALA 7 HB3 ALA 7 12.001 9.066 4.283 547 H ARG 8 HN ARG 8 9.933 8.638 0.647 548 HA ARG 8 HA ARG 8 8.994 6.012 1.252 549 HB2 ARG 8 HB2 ARG 8 10.175 7.221 -1.279 550 HB3 ARG 8 HB1 ARG 8 9.458 5.613 -1.220 551 HG2 ARG 8 HG2 ARG 8 7.279 6.491 -0.841 552 HG3 ARG 8 HG1 ARG 8 7.897 8.105 -0.484 553 HD2 ARG 8 HD2 ARG 8 6.833 7.886 -2.745 554 HD3 ARG 8 HD1 ARG 8 8.505 8.457 -2.799 555 HE ARG 8 HE ARG 8 7.689 5.656 -3.363 556 HH11 ARG 8 HH11 ARG 8 9.675 8.449 -4.138 557 HH12 ARG 8 HH12 ARG 8 10.480 7.657 -5.452 558 HH21 ARG 8 HH21 ARG 8 8.784 4.619 -5.063 559 HH22 ARG 8 HH22 ARG 8 9.989 5.479 -5.972 560 H M3L 9 HN M3L 9 10.165 3.981 0.489 561 HA M3L 9 HA M3L 9 13.108 4.246 0.691 562 HB2 M3L 9 HB2 M3L 9 11.352 1.812 1.165 563 HB3 M3L 9 HB1 M3L 9 13.116 1.747 1.068 564 HG2 M3L 9 HG2 M3L 9 13.150 3.514 2.915 565 HG3 M3L 9 HG1 M3L 9 11.425 3.199 3.130 566 HD2 M3L 9 HD2 M3L 9 11.873 0.902 3.781 567 HD3 M3L 9 HD1 M3L 9 13.579 1.060 3.344 568 HE2 M3L 9 HE2 M3L 9 13.748 2.891 5.110 569 HE3 M3L 9 HE1 M3L 9 12.126 2.440 5.632 570 HM11 M3L 9 HH33 M3L 9 15.402 -0.277 6.133 571 HM12 M3L 9 HH31 M3L 9 15.673 1.311 5.408 572 HM13 M3L 9 HH32 M3L 9 14.800 0.064 4.510 573 HM21 M3L 9 HH11 M3L 9 12.460 -0.620 5.264 574 HM22 M3L 9 HH12 M3L 9 11.730 0.172 6.662 575 HM23 M3L 9 HH13 M3L 9 13.080 -0.942 6.886 576 HM31 M3L 9 HH21 M3L 9 14.358 0.843 8.118 577 HM32 M3L 9 HH22 M3L 9 12.999 1.949 7.906 578 HM33 M3L 9 HH23 M3L 9 14.615 2.423 7.372 579 H SER 10 HN SER 10 14.462 3.112 -0.720 580 HA SER 10 HA SER 10 13.912 3.673 -3.413 581 HB2 SER 10 HB2 SER 10 16.112 1.902 -2.257 582 HB3 SER 10 HB1 SER 10 16.098 2.606 -3.875 583 HG SER 10 HG SER 10 15.739 4.368 -1.761 584 H THR 11 HN THR 11 11.993 2.566 -3.982 585 HA THR 11 HA THR 11 12.478 -0.091 -5.102 586 HB THR 11 HB THR 11 9.900 0.467 -3.555 587 HG1 THR 11 HG1 THR 11 11.901 0.200 -2.220 588 HG21 THR 11 HG21 THR 11 11.009 -2.114 -4.719 589 HG22 THR 11 HG22 THR 11 9.663 -1.185 -5.378 590 HG23 THR 11 HG23 THR 11 9.511 -1.967 -3.800 591 H GLY 12 HN GLY 12 11.342 -0.393 -7.051 592 HA2 GLY 12 HA2 GLY 12 9.909 0.267 -8.834 593 HA3 GLY 12 HA1 GLY 12 9.772 1.872 -8.126 594 H GLY 13 HN GLY 13 12.953 1.128 -7.818 595 HA2 GLY 13 HA2 GLY 13 14.861 1.336 -9.116 596 HA3 GLY 13 HA1 GLY 13 13.873 1.630 -10.536 597 H LYS 14 HN LYS 14 14.002 3.614 -11.326 598 HA LYS 14 HA LYS 14 14.446 5.795 -11.671 599 HB2 LYS 14 HB2 LYS 14 13.542 6.174 -8.788 600 HB3 LYS 14 HB1 LYS 14 13.703 7.460 -9.978 601 HG2 LYS 14 HG2 LYS 14 11.718 5.168 -10.021 602 HG3 LYS 14 HG1 LYS 14 11.370 6.871 -9.714 603 HD2 LYS 14 HD2 LYS 14 12.357 5.692 -12.345 604 HD3 LYS 14 HD1 LYS 14 10.704 6.193 -11.991 605 HE2 LYS 14 HE2 LYS 14 13.115 8.051 -12.053 606 HE3 LYS 14 HE1 LYS 14 11.930 7.869 -13.346 607 HZ1 LYS 14 HZ1 LYS 14 11.495 9.803 -11.950 608 HZ2 LYS 14 HZ2 LYS 14 11.299 8.805 -10.599 609 HZ3 LYS 14 HZ3 LYS 14 10.225 8.693 -11.897 610 H ALA 15 HN ALA 15 16.532 4.003 -10.390 611 HA ALA 15 HA ALA 15 18.556 6.041 -9.823 612 HB1 ALA 15 HB1 ALA 15 19.349 4.858 -7.807 613 HB2 ALA 15 HB2 ALA 15 18.017 3.709 -7.950 614 HB3 ALA 15 HB3 ALA 15 17.680 5.405 -7.606 Start of MODEL 18 1 H1 GLY 1 HT1 GLY 1 4.500 -3.228 -1.593 2 H2 GLY 1 HT2 GLY 1 5.186 -4.176 -2.812 3 H3 GLY 1 HT3 GLY 1 4.358 -2.761 -3.212 4 HA2 GLY 1 HA1 GLY 1 6.900 -2.951 -1.705 5 HA3 GLY 1 HA2 GLY 1 6.730 -2.399 -3.364 6 H GLU 2 HN GLU 2 7.907 -0.530 -2.384 7 HA GLU 2 HA GLU 2 8.098 1.616 -1.718 8 HB2 GLU 2 HB2 GLU 2 6.174 2.138 -3.162 9 HB3 GLU 2 HB1 GLU 2 5.061 1.675 -1.879 10 HG2 GLU 2 HG2 GLU 2 6.093 3.552 -0.476 11 HG3 GLU 2 HG1 GLU 2 6.900 4.094 -1.949 12 H GLN 3 HN GLN 3 8.992 1.410 0.265 13 HA GLN 3 HA GLN 3 7.267 1.107 2.650 14 HB2 GLN 3 HB2 GLN 3 10.237 0.582 2.214 15 HB3 GLN 3 HB1 GLN 3 9.537 0.696 3.822 16 HG2 GLN 3 HG2 GLN 3 9.712 -1.614 3.325 17 HG3 GLN 3 HG1 GLN 3 8.003 -1.213 3.197 18 HE21 GLN 3 HE21 GLN 3 10.904 -2.055 1.435 19 HE22 GLN 3 HE22 GLN 3 10.119 -2.544 -0.026 20 H VAL 4 HN VAL 4 6.603 3.125 3.191 21 HA VAL 4 HA VAL 4 8.617 5.257 3.602 22 HB VAL 4 HB VAL 4 6.698 6.821 3.853 23 HG11 VAL 4 HG11 VAL 4 7.723 6.570 1.636 24 HG12 VAL 4 HG12 VAL 4 5.996 6.893 1.480 25 HG13 VAL 4 HG13 VAL 4 6.610 5.254 1.245 26 HG21 VAL 4 HG21 VAL 4 4.968 5.294 4.695 27 HG22 VAL 4 HG22 VAL 4 4.924 4.443 3.151 28 HG23 VAL 4 HG23 VAL 4 4.383 6.121 3.249 29 H PHE 5 HN PHE 5 9.196 5.778 5.623 30 HA PHE 5 HA PHE 5 7.604 4.867 7.944 31 HB2 PHE 5 HB2 PHE 5 10.606 4.530 7.502 32 HB3 PHE 5 HB1 PHE 5 9.894 4.476 9.110 33 HD1 PHE 5 HD2 PHE 5 9.663 2.809 5.741 34 HD2 PHE 5 HD1 PHE 5 9.092 2.420 9.960 35 HE1 PHE 5 HE2 PHE 5 9.190 0.413 5.465 36 HE2 PHE 5 HE1 PHE 5 8.626 0.023 9.665 37 HZ PHE 5 HZ PHE 5 8.672 -0.980 7.423 38 H ALA 6 HN ALA 6 8.118 6.045 9.923 39 HA ALA 6 HA ALA 6 8.244 8.866 9.630 40 HB1 ALA 6 HB1 ALA 6 8.324 8.915 12.101 41 HB2 ALA 6 HB2 ALA 6 8.619 7.174 12.136 42 HB3 ALA 6 HB3 ALA 6 7.082 7.799 11.533 43 H VAL 7 HN VAL 7 10.040 9.933 9.080 44 HA VAL 7 HA VAL 7 12.709 8.863 9.428 45 HB VAL 7 HB VAL 7 13.499 10.818 8.229 46 HG11 VAL 7 HG11 VAL 7 12.174 10.717 6.126 47 HG12 VAL 7 HG12 VAL 7 10.877 9.881 6.986 48 HG13 VAL 7 HG13 VAL 7 12.455 9.112 6.804 49 HG21 VAL 7 HG21 VAL 7 11.959 12.707 7.597 50 HG22 VAL 7 HG22 VAL 7 12.265 12.598 9.328 51 HG23 VAL 7 HG23 VAL 7 10.735 12.018 8.667 52 H GLU 8 HN GLU 8 14.344 9.779 10.733 53 HA GLU 8 HA GLU 8 13.668 11.648 12.849 54 HB2 GLU 8 HB2 GLU 8 15.304 9.816 13.271 55 HB3 GLU 8 HB1 GLU 8 16.353 10.460 12.014 56 HG2 GLU 8 HG2 GLU 8 16.602 12.561 13.349 57 HG3 GLU 8 HG1 GLU 8 15.623 11.830 14.620 58 H SER 9 HN SER 9 16.176 11.582 10.329 59 HA SER 9 HA SER 9 15.555 14.100 9.121 60 HB2 SER 9 HB2 SER 9 18.041 13.956 10.908 61 HB3 SER 9 HB1 SER 9 17.732 15.243 9.750 62 HG SER 9 HG SER 9 15.662 15.468 11.035 63 H ILE 10 HN ILE 10 17.847 14.629 7.746 64 HA ILE 10 HA ILE 10 18.847 12.107 6.616 65 HB ILE 10 HB ILE 10 19.614 14.982 5.901 66 HG12 ILE 10 HG12 ILE 10 17.257 14.653 5.362 67 HG13 ILE 10 HG11 ILE 10 18.183 14.683 3.871 68 HG21 ILE 10 HG21 ILE 10 20.567 14.010 3.834 69 HG22 ILE 10 HG22 ILE 10 20.196 12.388 4.426 70 HG23 ILE 10 HG23 ILE 10 21.365 13.394 5.285 71 HD11 ILE 10 HD11 ILE 10 17.039 12.251 5.239 72 HD12 ILE 10 HD12 ILE 10 18.045 12.210 3.788 73 HD13 ILE 10 HD13 ILE 10 16.474 13.010 3.752 74 H ARG 11 HN ARG 11 20.800 11.288 7.170 75 HA ARG 11 HA ARG 11 22.271 12.418 9.414 76 HB2 ARG 11 HB2 ARG 11 21.543 9.862 8.999 77 HB3 ARG 11 HB1 ARG 11 23.050 9.796 8.100 78 HG2 ARG 11 HG2 ARG 11 22.715 10.462 11.056 79 HG3 ARG 11 HG1 ARG 11 23.353 8.962 10.386 80 HD2 ARG 11 HD2 ARG 11 25.301 10.202 9.492 81 HD3 ARG 11 HD1 ARG 11 24.648 11.705 10.154 82 HE ARG 11 HE ARG 11 24.928 9.766 12.210 83 HH11 ARG 11 HH11 ARG 11 26.884 11.923 10.241 84 HH12 ARG 11 HH12 ARG 11 28.168 12.017 11.397 85 HH21 ARG 11 HH21 ARG 11 26.617 9.923 13.724 86 HH22 ARG 11 HH22 ARG 11 28.010 10.893 13.379 87 H LYS 12 HN LYS 12 22.978 11.162 6.126 88 HA LYS 12 HA LYS 12 25.178 13.103 5.800 89 HB2 LYS 12 HB2 LYS 12 25.405 10.090 5.394 90 HB3 LYS 12 HB1 LYS 12 26.519 11.229 4.641 91 HG2 LYS 12 HG2 LYS 12 27.199 12.024 6.902 92 HG3 LYS 12 HG1 LYS 12 26.123 10.821 7.625 93 HD2 LYS 12 HD2 LYS 12 27.425 9.004 6.618 94 HD3 LYS 12 HD1 LYS 12 28.454 10.166 5.774 95 HE2 LYS 12 HE2 LYS 12 29.308 10.987 7.935 96 HE3 LYS 12 HE1 LYS 12 28.260 9.854 8.795 97 HZ1 LYS 12 HZ1 LYS 12 30.470 9.128 6.944 98 HZ2 LYS 12 HZ2 LYS 12 29.450 8.031 7.725 99 HZ3 LYS 12 HZ3 LYS 12 30.493 9.001 8.630 100 H LYS 13 HN LYS 13 26.039 12.673 3.339 101 HA LYS 13 HA LYS 13 23.842 12.560 1.464 102 HB2 LYS 13 HB2 LYS 13 23.459 14.802 2.441 103 HB3 LYS 13 HB1 LYS 13 25.141 15.244 2.167 104 HG2 LYS 13 HG2 LYS 13 24.757 15.090 -0.293 105 HG3 LYS 13 HG1 LYS 13 23.060 14.696 0.013 106 HD2 LYS 13 HD2 LYS 13 22.748 16.901 1.106 107 HD3 LYS 13 HD1 LYS 13 24.447 17.294 0.815 108 HE2 LYS 13 HE2 LYS 13 24.068 17.243 -1.610 109 HE3 LYS 13 HE1 LYS 13 22.395 16.737 -1.362 110 HZ1 LYS 13 HZ1 LYS 13 22.590 19.099 -1.824 111 HZ2 LYS 13 HZ2 LYS 13 23.552 19.305 -0.447 112 HZ3 LYS 13 HZ3 LYS 13 21.942 18.820 -0.290 113 H ARG 14 HN ARG 14 24.592 12.452 -0.643 114 HA ARG 14 HA ARG 14 27.330 12.911 -1.416 115 HB2 ARG 14 HB2 ARG 14 27.936 10.595 -1.914 116 HB3 ARG 14 HB1 ARG 14 27.491 10.703 -0.211 117 HG2 ARG 14 HG2 ARG 14 25.194 9.842 -0.840 118 HG3 ARG 14 HG1 ARG 14 25.811 9.559 -2.474 119 HD2 ARG 14 HD2 ARG 14 26.916 8.333 0.077 120 HD3 ARG 14 HD1 ARG 14 25.833 7.516 -1.057 121 HE ARG 14 HE ARG 14 28.621 8.339 -1.639 122 HH11 ARG 14 HH11 ARG 14 25.874 6.264 -2.382 123 HH12 ARG 14 HH12 ARG 14 26.813 5.195 -3.369 124 HH21 ARG 14 HH21 ARG 14 29.805 6.967 -2.976 125 HH22 ARG 14 HH22 ARG 14 29.044 5.588 -3.700 126 H VAL 15 HN VAL 15 27.542 11.699 -3.727 127 HA VAL 15 HA VAL 15 25.003 11.630 -5.186 128 HB VAL 15 HB VAL 15 25.713 13.929 -5.540 129 HG11 VAL 15 HG11 VAL 15 28.097 13.751 -5.005 130 HG12 VAL 15 HG12 VAL 15 27.881 14.558 -6.559 131 HG13 VAL 15 HG13 VAL 15 28.391 12.867 -6.506 132 HG21 VAL 15 HG21 VAL 15 24.691 12.796 -7.477 133 HG22 VAL 15 HG22 VAL 15 26.287 12.305 -8.046 134 HG23 VAL 15 HG23 VAL 15 25.855 14.016 -8.005 135 H ARG 16 HN ARG 16 24.983 10.063 -6.707 136 HA ARG 16 HA ARG 16 27.401 8.465 -7.218 137 HB2 ARG 16 HB2 ARG 16 26.179 7.496 -5.251 138 HB3 ARG 16 HB1 ARG 16 24.729 7.352 -6.233 139 HG2 ARG 16 HG2 ARG 16 25.824 5.186 -6.054 140 HG3 ARG 16 HG1 ARG 16 25.905 5.750 -7.727 141 HD2 ARG 16 HD2 ARG 16 28.237 6.562 -7.273 142 HD3 ARG 16 HD1 ARG 16 28.130 5.843 -5.661 143 HE ARG 16 HE ARG 16 27.526 3.874 -7.586 144 HH11 ARG 16 HH11 ARG 16 30.296 5.731 -6.487 145 HH12 ARG 16 HH12 ARG 16 31.436 4.490 -6.881 146 HH21 ARG 16 HH21 ARG 16 29.029 2.285 -8.140 147 HH22 ARG 16 HH22 ARG 16 30.717 2.523 -7.829 148 H LYS 17 HN LYS 17 27.568 8.690 -9.353 149 HA LYS 17 HA LYS 17 27.184 8.797 -11.570 150 HB2 LYS 17 HB2 LYS 17 25.039 6.725 -10.915 151 HB3 LYS 17 HB1 LYS 17 25.613 7.089 -12.541 152 HG2 LYS 17 HG2 LYS 17 27.248 5.899 -10.271 153 HG3 LYS 17 HG1 LYS 17 26.665 5.052 -11.713 154 HD2 LYS 17 HD2 LYS 17 28.091 6.556 -13.122 155 HD3 LYS 17 HD1 LYS 17 28.692 7.325 -11.648 156 HE2 LYS 17 HE2 LYS 17 30.330 5.723 -12.404 157 HE3 LYS 17 HE1 LYS 17 29.599 5.104 -10.925 158 HZ1 LYS 17 HZ1 LYS 17 28.208 3.652 -12.266 159 HZ2 LYS 17 HZ2 LYS 17 29.842 3.385 -12.602 160 HZ3 LYS 17 HZ3 LYS 17 28.890 4.263 -13.686 161 H GLY 18 HN GLY 18 26.045 10.859 -10.128 162 HA2 GLY 18 HA2 GLY 18 24.953 12.784 -10.913 163 HA3 GLY 18 HA1 GLY 18 23.995 11.809 -12.012 164 H LYS 19 HN LYS 19 23.479 9.993 -9.511 165 HA LYS 19 HA LYS 19 21.062 11.391 -8.649 166 HB2 LYS 19 HB2 LYS 19 22.080 8.543 -8.351 167 HB3 LYS 19 HB1 LYS 19 20.764 9.118 -7.326 168 HG2 LYS 19 HG2 LYS 19 20.752 9.062 -10.363 169 HG3 LYS 19 HG1 LYS 19 19.896 7.944 -9.290 170 HD2 LYS 19 HD2 LYS 19 18.611 9.888 -8.366 171 HD3 LYS 19 HD1 LYS 19 19.417 10.943 -9.530 172 HE2 LYS 19 HE2 LYS 19 18.377 9.668 -11.382 173 HE3 LYS 19 HE1 LYS 19 17.564 8.629 -10.203 174 HZ1 LYS 19 HZ1 LYS 19 17.135 11.497 -10.735 175 HZ2 LYS 19 HZ2 LYS 19 16.661 10.811 -9.269 176 HZ3 LYS 19 HZ3 LYS 19 16.002 10.245 -10.725 177 H VAL 20 HN VAL 20 21.240 12.795 -7.057 178 HA VAL 20 HA VAL 20 23.288 12.715 -5.045 179 HB VAL 20 HB VAL 20 20.794 14.479 -5.184 180 HG11 VAL 20 HG11 VAL 20 21.766 14.442 -2.918 181 HG12 VAL 20 HG12 VAL 20 22.042 16.010 -3.679 182 HG13 VAL 20 HG13 VAL 20 23.358 14.838 -3.577 183 HG21 VAL 20 HG21 VAL 20 23.610 15.071 -6.178 184 HG22 VAL 20 HG22 VAL 20 22.251 16.198 -6.187 185 HG23 VAL 20 HG23 VAL 20 22.203 14.751 -7.198 186 H GLU 21 HN GLU 21 23.184 11.317 -3.406 187 HA GLU 21 HA GLU 21 20.610 10.169 -2.565 188 HB2 GLU 21 HB2 GLU 21 23.409 9.093 -2.040 189 HB3 GLU 21 HB1 GLU 21 21.880 8.283 -1.695 190 HG2 GLU 21 HG2 GLU 21 21.433 8.363 -4.208 191 HG3 GLU 21 HG1 GLU 21 23.114 8.865 -4.397 192 H TYR 22 HN TYR 22 20.081 9.971 -0.425 193 HA TYR 22 HA TYR 22 21.548 11.654 1.525 194 HB2 TYR 22 HB2 TYR 22 18.522 11.470 1.091 195 HB3 TYR 22 HB1 TYR 22 19.307 12.375 2.380 196 HD1 TYR 22 HD2 TYR 22 18.627 12.294 -1.259 197 HD2 TYR 22 HD1 TYR 22 20.396 14.522 1.932 198 HE1 TYR 22 HE2 TYR 22 18.814 14.248 -2.727 199 HE2 TYR 22 HE1 TYR 22 20.576 16.475 0.460 200 HH TYR 22 HH TYR 22 18.977 16.707 -2.515 201 H LEU 23 HN LEU 23 22.199 10.353 3.163 202 HA LEU 23 HA LEU 23 21.136 7.755 3.704 203 HB2 LEU 23 HB2 LEU 23 23.511 8.475 4.173 204 HB3 LEU 23 HB1 LEU 23 22.910 9.498 5.465 205 HG LEU 23 HG LEU 23 22.094 7.470 6.673 206 HD11 LEU 23 HD11 LEU 23 22.757 5.232 5.936 207 HD12 LEU 23 HD12 LEU 23 23.435 5.902 4.451 208 HD13 LEU 23 HD13 LEU 23 21.698 5.999 4.753 209 HD21 LEU 23 HD21 LEU 23 24.319 8.369 7.204 210 HD22 LEU 23 HD22 LEU 23 25.043 7.361 5.947 211 HD23 LEU 23 HD23 LEU 23 24.297 6.611 7.363 212 H VAL 24 HN VAL 24 18.901 8.207 3.957 213 HA VAL 24 HA VAL 24 17.839 10.097 5.766 214 HB VAL 24 HB VAL 24 16.410 7.583 4.788 215 HG11 VAL 24 HG11 VAL 24 14.344 8.925 5.068 216 HG12 VAL 24 HG12 VAL 24 15.300 10.277 5.681 217 HG13 VAL 24 HG13 VAL 24 15.220 8.767 6.594 218 HG21 VAL 24 HG21 VAL 24 17.344 8.743 2.841 219 HG22 VAL 24 HG22 VAL 24 16.621 10.264 3.373 220 HG23 VAL 24 HG23 VAL 24 15.586 8.921 2.878 221 H LYS 25 HN LYS 25 18.340 9.973 7.859 222 HA LYS 25 HA LYS 25 18.577 7.501 9.342 223 HB2 LYS 25 HB2 LYS 25 19.709 9.935 9.748 224 HB3 LYS 25 HB1 LYS 25 18.272 10.183 10.725 225 HG2 LYS 25 HG2 LYS 25 20.426 8.071 11.131 226 HG3 LYS 25 HG1 LYS 25 20.115 9.491 12.134 227 HD2 LYS 25 HD2 LYS 25 17.852 8.497 12.676 228 HD3 LYS 25 HD1 LYS 25 18.348 7.038 11.817 229 HE2 LYS 25 HE2 LYS 25 18.668 6.744 14.208 230 HE3 LYS 25 HE1 LYS 25 20.238 6.780 13.410 231 HZ1 LYS 25 HZ1 LYS 25 18.998 9.104 14.787 232 HZ2 LYS 25 HZ2 LYS 25 20.552 9.034 14.134 233 HZ3 LYS 25 HZ3 LYS 25 20.151 8.092 15.474 234 H TRP 26 HN TRP 26 16.823 6.419 10.030 235 HA TRP 26 HA TRP 26 14.181 7.689 9.945 236 HB2 TRP 26 HB2 TRP 26 14.835 4.744 10.391 237 HB3 TRP 26 HB1 TRP 26 13.277 5.433 9.948 238 HD1 TRP 26 HD1 TRP 26 16.602 4.348 8.472 239 HE1 TRP 26 HE1 TRP 26 16.475 4.381 5.904 240 HE3 TRP 26 HE3 TRP 26 12.077 6.657 7.900 241 HZ2 TRP 26 HZ2 TRP 26 14.721 5.266 3.901 242 HZ3 TRP 26 HZ3 TRP 26 11.240 7.052 5.615 243 HH2 TRP 26 HH2 TRP 26 12.537 6.371 3.654 244 H LYS 27 HN LYS 27 12.701 7.445 11.764 245 HA LYS 27 HA LYS 27 13.869 8.569 14.061 246 HB2 LYS 27 HB2 LYS 27 11.624 9.152 13.262 247 HB3 LYS 27 HB1 LYS 27 11.046 7.528 13.608 248 HG2 LYS 27 HG2 LYS 27 10.278 9.136 15.290 249 HG3 LYS 27 HG1 LYS 27 11.317 7.905 16.007 250 HD2 LYS 27 HD2 LYS 27 11.796 10.161 16.913 251 HD3 LYS 27 HD1 LYS 27 13.196 9.483 16.083 252 HE2 LYS 27 HE2 LYS 27 12.904 11.871 15.570 253 HE3 LYS 27 HE1 LYS 27 12.723 10.877 14.127 254 HZ1 LYS 27 HZ1 LYS 27 10.502 12.024 15.718 255 HZ2 LYS 27 HZ2 LYS 27 10.338 11.089 14.315 256 HZ3 LYS 27 HZ3 LYS 27 11.062 12.613 14.240 257 H GLY 28 HN GLY 28 12.276 5.380 13.691 258 HA2 GLY 28 HA2 GLY 28 13.056 4.618 16.423 259 HA3 GLY 28 HA1 GLY 28 11.977 3.745 15.357 260 H TRP 29 HN TRP 29 14.828 4.647 13.739 261 HA TRP 29 HA TRP 29 15.853 1.873 13.927 262 HB2 TRP 29 HB2 TRP 29 15.660 3.614 11.415 263 HB3 TRP 29 HB1 TRP 29 16.247 1.954 11.483 264 HD1 TRP 29 HD1 TRP 29 12.915 3.901 12.091 265 HE1 TRP 29 HE1 TRP 29 10.951 2.361 11.507 266 HE3 TRP 29 HE3 TRP 29 15.520 -0.349 10.918 267 HZ2 TRP 29 HZ2 TRP 29 10.541 -0.287 10.655 268 HZ3 TRP 29 HZ3 TRP 29 14.257 -2.338 10.205 269 HH2 TRP 29 HH2 TRP 29 11.812 -2.308 10.073 270 HA PRO 30 HA PRO 30 19.721 3.989 14.961 271 HB2 PRO 30 HB2 PRO 30 21.464 1.866 14.633 272 HB3 PRO 30 HB1 PRO 30 20.392 2.041 16.029 273 HG2 PRO 30 HG2 PRO 30 20.005 0.405 13.537 274 HG3 PRO 30 HG1 PRO 30 19.736 -0.062 15.228 275 HD2 PRO 30 HD2 PRO 30 17.686 0.659 13.629 276 HD3 PRO 30 HD1 PRO 30 17.701 1.083 15.357 277 HA PRO 31 HA PRO 31 21.657 5.454 11.214 278 HB2 PRO 31 HB2 PRO 31 24.396 5.210 12.408 279 HB3 PRO 31 HB1 PRO 31 23.532 6.648 11.842 280 HG2 PRO 31 HG2 PRO 31 23.860 6.195 14.454 281 HG3 PRO 31 HG1 PRO 31 22.340 6.880 13.838 282 HD2 PRO 31 HD2 PRO 31 22.948 4.025 14.630 283 HD3 PRO 31 HD1 PRO 31 21.535 5.027 15.036 284 H LYS 32 HN LYS 32 22.418 2.239 12.152 285 HA LYS 32 HA LYS 32 23.818 1.680 9.634 286 HB2 LYS 32 HB2 LYS 32 23.823 -0.694 10.391 287 HB3 LYS 32 HB1 LYS 32 24.591 0.406 11.530 288 HG2 LYS 32 HG2 LYS 32 22.569 0.360 12.942 289 HG3 LYS 32 HG1 LYS 32 21.797 -0.750 11.802 290 HD2 LYS 32 HD2 LYS 32 23.534 -2.438 12.250 291 HD3 LYS 32 HD1 LYS 32 24.362 -1.325 13.346 292 HE2 LYS 32 HE2 LYS 32 22.379 -1.347 14.837 293 HE3 LYS 32 HE1 LYS 32 21.576 -2.475 13.742 294 HZ1 LYS 32 HZ1 LYS 32 23.340 -4.072 14.167 295 HZ2 LYS 32 HZ2 LYS 32 22.577 -3.617 15.602 296 HZ3 LYS 32 HZ3 LYS 32 24.095 -2.986 15.220 297 H TYR 33 HN TYR 33 20.593 1.378 11.013 298 HA TYR 33 HA TYR 33 19.482 0.047 8.655 299 HB2 TYR 33 HB2 TYR 33 18.291 0.966 11.294 300 HB3 TYR 33 HB1 TYR 33 17.253 0.487 9.958 301 HD1 TYR 33 HD2 TYR 33 19.905 -0.764 12.258 302 HD2 TYR 33 HD1 TYR 33 16.858 -1.839 9.478 303 HE1 TYR 33 HE2 TYR 33 20.131 -3.113 12.924 304 HE2 TYR 33 HE1 TYR 33 17.092 -4.192 10.136 305 HH TYR 33 HH TYR 33 18.817 -5.671 11.155 306 H SER 34 HN SER 34 20.339 3.216 9.379 307 HA SER 34 HA SER 34 18.382 4.619 7.832 308 HB2 SER 34 HB2 SER 34 20.112 6.426 7.755 309 HB3 SER 34 HB1 SER 34 19.854 5.821 9.394 310 HG SER 34 HG SER 34 21.990 5.199 7.636 311 H THR 35 HN THR 35 18.456 5.156 5.588 312 HA THR 35 HA THR 35 20.264 3.460 3.944 313 HB THR 35 HB THR 35 18.260 2.995 2.458 314 HG1 THR 35 HG1 THR 35 16.611 4.249 2.903 315 HG21 THR 35 HG21 THR 35 19.028 1.282 4.075 316 HG22 THR 35 HG22 THR 35 17.272 1.240 3.896 317 HG23 THR 35 HG23 THR 35 17.997 1.994 5.318 318 H TRP 36 HN TRP 36 20.920 4.270 1.976 319 HA TRP 36 HA TRP 36 20.873 7.126 1.579 320 HB2 TRP 36 HB2 TRP 36 22.136 4.898 -0.088 321 HB3 TRP 36 HB1 TRP 36 22.330 6.612 -0.424 322 HD1 TRP 36 HD1 TRP 36 23.678 3.844 1.781 323 HE1 TRP 36 HE1 TRP 36 25.667 4.749 3.133 324 HE3 TRP 36 HE3 TRP 36 23.148 8.830 0.759 325 HZ2 TRP 36 HZ2 TRP 36 26.860 7.243 3.693 326 HZ3 TRP 36 HZ3 TRP 36 24.755 10.414 1.750 327 HH2 TRP 36 HH2 TRP 36 26.573 9.635 3.188 328 H GLU 37 HN GLU 37 18.649 7.466 1.188 329 HA GLU 37 HA GLU 37 17.490 6.469 -1.308 330 HB2 GLU 37 HB2 GLU 37 16.290 8.151 0.925 331 HB3 GLU 37 HB1 GLU 37 15.406 7.539 -0.469 332 HG2 GLU 37 HG2 GLU 37 16.520 6.015 1.896 333 HG3 GLU 37 HG1 GLU 37 14.858 6.085 1.309 334 HA PRO 38 HA PRO 38 19.118 10.201 -3.413 335 HB2 PRO 38 HB2 PRO 38 17.199 9.111 -5.481 336 HB3 PRO 38 HB1 PRO 38 18.857 9.705 -5.687 337 HG2 PRO 38 HG2 PRO 38 18.412 7.096 -5.665 338 HG3 PRO 38 HG1 PRO 38 19.805 7.746 -4.769 339 HD2 PRO 38 HD2 PRO 38 17.127 6.831 -3.715 340 HD3 PRO 38 HD1 PRO 38 18.756 6.562 -3.049 341 H GLU 39 HN GLU 39 18.117 12.000 -4.685 342 HA GLU 39 HA GLU 39 16.388 13.459 -3.065 343 HB2 GLU 39 HB2 GLU 39 16.480 15.213 -4.741 344 HB3 GLU 39 HB1 GLU 39 18.057 14.446 -4.642 345 HG2 GLU 39 HG2 GLU 39 16.007 13.973 -6.835 346 HG3 GLU 39 HG1 GLU 39 17.416 15.017 -6.957 347 H GLU 40 HN GLU 40 15.596 11.458 -5.887 348 HA GLU 40 HA GLU 40 12.898 12.357 -6.214 349 HB2 GLU 40 HB2 GLU 40 14.184 9.738 -7.091 350 HB3 GLU 40 HB1 GLU 40 12.590 10.291 -7.602 351 HG2 GLU 40 HG2 GLU 40 15.272 11.563 -8.243 352 HG3 GLU 40 HG1 GLU 40 14.191 10.730 -9.362 353 H HIS 41 HN HIS 41 14.420 9.990 -4.149 354 HA HIS 41 HA HIS 41 11.983 8.689 -3.278 355 HB2 HIS 41 HB2 HIS 41 14.839 8.593 -2.224 356 HB3 HIS 41 HB1 HIS 41 13.515 7.668 -1.519 357 HD1 HIS 41 HD1 HIS 41 13.888 5.328 -2.184 358 HD2 HIS 41 HD2 HIS 41 14.598 7.930 -5.348 359 HE1 HIS 41 HE1 HIS 41 14.358 3.860 -4.166 360 HE2 HIS 41 HE2 HIS 41 14.608 5.454 -6.098 361 H ILE 42 HN ILE 42 14.032 11.308 -2.149 362 HA ILE 42 HA ILE 42 12.624 11.851 0.298 363 HB ILE 42 HB ILE 42 14.232 13.819 -1.415 364 HG12 ILE 42 HG12 ILE 42 15.646 11.850 -0.927 365 HG13 ILE 42 HG11 ILE 42 16.212 13.256 -0.037 366 HG21 ILE 42 HG21 ILE 42 14.561 15.051 0.684 367 HG22 ILE 42 HG22 ILE 42 13.588 13.874 1.562 368 HG23 ILE 42 HG23 ILE 42 12.847 14.885 0.318 369 HD11 ILE 42 HD11 ILE 42 14.608 10.965 1.088 370 HD12 ILE 42 HD12 ILE 42 15.153 12.381 1.993 371 HD13 ILE 42 HD13 ILE 42 16.332 11.261 1.310 372 H LEU 43 HN LEU 43 10.502 12.561 0.337 373 HA LEU 43 HA LEU 43 9.500 14.133 -1.995 374 HB2 LEU 43 HB2 LEU 43 7.208 13.429 -1.225 375 HB3 LEU 43 HB1 LEU 43 8.204 12.165 -1.901 376 HG LEU 43 HG LEU 43 8.257 12.405 1.094 377 HD11 LEU 43 HD11 LEU 43 5.863 12.740 0.642 378 HD12 LEU 43 HD12 LEU 43 6.189 11.191 1.414 379 HD13 LEU 43 HD13 LEU 43 5.836 11.255 -0.317 380 HD21 LEU 43 HD21 LEU 43 8.050 10.018 -0.771 381 HD22 LEU 43 HD22 LEU 43 8.315 9.966 0.976 382 HD23 LEU 43 HD23 LEU 43 9.544 10.663 -0.078 383 H ASP 44 HN ASP 44 10.874 14.985 0.651 384 HA ASP 44 HA ASP 44 8.973 17.173 1.262 385 HB2 ASP 44 HB2 ASP 44 8.916 15.377 3.083 386 HB3 ASP 44 HB1 ASP 44 10.612 15.728 3.400 387 HA PRO 45 HA PRO 45 12.721 19.583 0.321 388 HB2 PRO 45 HB2 PRO 45 11.789 21.996 1.395 389 HB3 PRO 45 HB1 PRO 45 11.453 21.429 -0.246 390 HG2 PRO 45 HG2 PRO 45 9.742 21.204 2.227 391 HG3 PRO 45 HG1 PRO 45 9.263 21.628 0.570 392 HD2 PRO 45 HD2 PRO 45 8.823 19.164 1.532 393 HD3 PRO 45 HD1 PRO 45 9.334 19.392 -0.160 394 H ARG 46 HN ARG 46 11.149 20.123 3.506 395 HA ARG 46 HA ARG 46 13.538 21.163 4.703 396 HB2 ARG 46 HB2 ARG 46 10.823 20.439 5.852 397 HB3 ARG 46 HB1 ARG 46 12.121 21.121 6.837 398 HG2 ARG 46 HG2 ARG 46 12.173 23.132 5.429 399 HG3 ARG 46 HG1 ARG 46 10.932 22.449 4.375 400 HD2 ARG 46 HD2 ARG 46 9.298 22.520 6.203 401 HD3 ARG 46 HD1 ARG 46 10.538 23.109 7.318 402 HE ARG 46 HE ARG 46 10.360 25.210 6.412 403 HH11 ARG 46 HH11 ARG 46 8.595 22.992 4.329 404 HH12 ARG 46 HH12 ARG 46 7.911 24.258 3.364 405 HH21 ARG 46 HH21 ARG 46 9.458 26.851 5.157 406 HH22 ARG 46 HH22 ARG 46 8.387 26.462 3.845 407 H LEU 47 HN LEU 47 12.341 17.929 4.370 408 HA LEU 47 HA LEU 47 13.716 16.612 6.431 409 HB2 LEU 47 HB2 LEU 47 12.173 15.457 4.930 410 HB3 LEU 47 HB1 LEU 47 13.214 15.758 3.550 411 HG LEU 47 HG LEU 47 14.874 14.171 4.370 412 HD11 LEU 47 HD11 LEU 47 13.152 13.856 6.838 413 HD12 LEU 47 HD12 LEU 47 14.785 14.525 6.756 414 HD13 LEU 47 HD13 LEU 47 14.513 12.819 6.406 415 HD21 LEU 47 HD21 LEU 47 12.090 12.967 4.542 416 HD22 LEU 47 HD22 LEU 47 13.587 12.073 4.267 417 HD23 LEU 47 HD23 LEU 47 13.021 13.227 3.063 418 H VAL 48 HN VAL 48 14.876 17.708 3.274 419 HA VAL 48 HA VAL 48 17.662 17.012 3.737 420 HB VAL 48 HB VAL 48 16.195 18.413 1.464 421 HG11 VAL 48 HG11 VAL 48 19.163 17.771 1.581 422 HG12 VAL 48 HG12 VAL 48 18.443 19.383 1.522 423 HG13 VAL 48 HG13 VAL 48 18.295 18.298 0.137 424 HG21 VAL 48 HG21 VAL 48 15.799 15.982 1.659 425 HG22 VAL 48 HG22 VAL 48 17.538 15.690 1.581 426 HG23 VAL 48 HG23 VAL 48 16.695 16.369 0.186 427 H MET 49 HN MET 49 15.703 19.960 3.450 428 HA MET 49 HA MET 49 17.806 21.832 3.416 429 HB2 MET 49 HB2 MET 49 14.875 22.245 4.156 430 HB3 MET 49 HB1 MET 49 16.029 23.549 3.847 431 HG2 MET 49 HG2 MET 49 15.040 21.477 1.882 432 HG3 MET 49 HG1 MET 49 14.655 23.195 1.898 433 HE1 MET 49 HE1 MET 49 15.276 23.106 -0.770 434 HE2 MET 49 HE2 MET 49 15.754 21.413 -0.623 435 HE3 MET 49 HE3 MET 49 16.851 22.578 -1.365 436 H ALA 50 HN ALA 50 15.909 20.541 6.123 437 HA ALA 50 HA ALA 50 16.811 22.341 8.134 438 HB1 ALA 50 HB1 ALA 50 15.848 19.481 8.456 439 HB2 ALA 50 HB2 ALA 50 14.826 20.917 8.445 440 HB3 ALA 50 HB3 ALA 50 15.989 20.676 9.751 441 H TYR 51 HN TYR 51 17.953 19.134 7.111 442 HA TYR 51 HA TYR 51 19.980 18.648 8.950 443 HB2 TYR 51 HB2 TYR 51 19.373 16.840 7.567 444 HB3 TYR 51 HB1 TYR 51 19.464 17.796 6.096 445 HD1 TYR 51 HD1 TYR 51 21.904 16.828 8.837 446 HD2 TYR 51 HD2 TYR 51 21.130 17.048 4.633 447 HE1 TYR 51 HE1 TYR 51 24.127 15.892 8.364 448 HE2 TYR 51 HE2 TYR 51 23.342 16.110 4.173 449 HH TYR 51 HH TYR 51 25.272 14.681 6.562 450 H GLU 52 HN GLU 52 20.248 20.283 5.778 451 HA GLU 52 HA GLU 52 23.056 20.930 6.187 452 HB2 GLU 52 HB2 GLU 52 21.142 21.596 3.911 453 HB3 GLU 52 HB1 GLU 52 22.869 21.969 3.915 454 HG2 GLU 52 HG2 GLU 52 23.397 19.568 4.078 455 HG3 GLU 52 HG1 GLU 52 21.675 19.178 4.076 456 H GLU 53 HN GLU 53 20.263 22.354 7.291 457 HA GLU 53 HA GLU 53 19.587 24.371 8.029 458 HB2 GLU 53 HB2 GLU 53 22.582 24.921 8.021 459 HB3 GLU 53 HB1 GLU 53 21.411 26.077 8.648 460 HG2 GLU 53 HG2 GLU 53 21.840 23.255 9.698 461 HG3 GLU 53 HG1 GLU 53 22.479 24.726 10.431 462 H LYS 54 HN LYS 54 19.732 23.815 5.186 463 HA LYS 54 HA LYS 54 20.335 26.244 3.773 464 HB2 LYS 54 HB2 LYS 54 20.659 24.020 2.709 465 HB3 LYS 54 HB1 LYS 54 18.936 23.696 2.841 466 HG2 LYS 54 HG2 LYS 54 19.491 24.341 0.554 467 HG3 LYS 54 HG1 LYS 54 18.454 25.562 1.290 468 HD2 LYS 54 HD2 LYS 54 20.186 26.693 0.031 469 HD3 LYS 54 HD1 LYS 54 20.491 26.956 1.745 470 HE2 LYS 54 HE2 LYS 54 22.180 25.114 1.671 471 HE3 LYS 54 HE1 LYS 54 21.936 24.995 -0.069 472 HZ1 LYS 54 HZ1 LYS 54 22.658 27.306 -0.263 473 HZ2 LYS 54 HZ2 LYS 54 23.848 26.323 0.427 474 HZ3 LYS 54 HZ3 LYS 54 22.943 27.362 1.405 475 H GLU 55 HN GLU 55 18.975 27.674 5.023 476 HA GLU 55 HA GLU 55 16.116 27.700 4.373 477 HB2 GLU 55 HB2 GLU 55 17.870 29.567 6.030 478 HB3 GLU 55 HB1 GLU 55 16.167 29.890 5.703 479 HG2 GLU 55 HG2 GLU 55 17.209 27.421 7.136 480 HG3 GLU 55 HG1 GLU 55 16.607 28.868 7.948 481 H GLU 56 HN GLU 56 19.094 28.849 3.165 482 HA GLU 56 HA GLU 56 18.475 31.161 1.743 483 HB2 GLU 56 HB2 GLU 56 20.764 30.348 2.033 484 HB3 GLU 56 HB1 GLU 56 20.408 28.888 1.125 485 HG2 GLU 56 HG2 GLU 56 19.977 30.425 -0.888 486 HG3 GLU 56 HG1 GLU 56 20.699 31.709 0.082 487 H1 ALA 1 HT1 ALA 1 3.475 13.610 14.202 488 H2 ALA 1 HT2 ALA 1 3.498 13.481 15.884 489 H3 ALA 1 HT3 ALA 1 4.948 13.619 15.031 490 HA ALA 1 HA ALA 1 2.830 15.681 15.190 491 HB1 ALA 1 HB1 ALA 1 5.560 15.590 16.535 492 HB2 ALA 1 HB2 ALA 1 3.997 15.438 17.343 493 HB3 ALA 1 HB3 ALA 1 4.447 16.962 16.574 494 H ARG 2 HN ARG 2 2.796 16.687 13.261 495 HA ARG 2 HA ARG 2 3.311 17.134 11.088 496 HB2 ARG 2 HB2 ARG 2 4.824 19.060 10.803 497 HB3 ARG 2 HB1 ARG 2 3.690 19.278 12.120 498 HG2 ARG 2 HG2 ARG 2 6.493 18.327 12.717 499 HG3 ARG 2 HG1 ARG 2 6.214 20.034 12.368 500 HD2 ARG 2 HD2 ARG 2 4.758 20.261 14.266 501 HD3 ARG 2 HD1 ARG 2 4.707 18.515 14.520 502 HE ARG 2 HE ARG 2 7.369 19.520 14.704 503 HH11 ARG 2 HH11 ARG 2 4.391 19.315 16.566 504 HH12 ARG 2 HH12 ARG 2 5.209 19.366 18.093 505 HH21 ARG 2 HH21 ARG 2 8.414 19.554 16.697 506 HH22 ARG 2 HH22 ARG 2 7.502 19.510 18.169 507 H THR 3 HN THR 3 4.360 14.699 11.582 508 HA THR 3 HA THR 3 7.102 14.513 10.567 509 HB THR 3 HB THR 3 5.279 12.166 11.240 510 HG1 THR 3 HG1 THR 3 6.532 14.002 12.970 511 HG21 THR 3 HG21 THR 3 7.480 11.627 10.190 512 HG22 THR 3 HG22 THR 3 7.387 11.030 11.848 513 HG23 THR 3 HG23 THR 3 8.299 12.499 11.493 514 H LYS 4 HN LYS 4 5.253 15.654 8.744 515 HA LYS 4 HA LYS 4 4.517 13.764 6.715 516 HB2 LYS 4 HB2 LYS 4 3.407 16.012 7.058 517 HB3 LYS 4 HB1 LYS 4 4.871 16.784 6.463 518 HG2 LYS 4 HG2 LYS 4 3.199 16.685 4.702 519 HG3 LYS 4 HG1 LYS 4 4.573 15.656 4.274 520 HD2 LYS 4 HD2 LYS 4 3.215 13.680 5.183 521 HD3 LYS 4 HD1 LYS 4 1.839 14.782 5.304 522 HE2 LYS 4 HE2 LYS 4 1.740 13.471 3.231 523 HE3 LYS 4 HE1 LYS 4 1.959 15.184 2.865 524 HZ1 LYS 4 HZ1 LYS 4 4.167 13.198 2.959 525 HZ2 LYS 4 HZ2 LYS 4 4.275 14.807 2.454 526 HZ3 LYS 4 HZ3 LYS 4 3.388 13.693 1.547 527 H GLN 5 HN GLN 5 7.404 15.409 7.649 528 HA GLN 5 HA GLN 5 9.042 15.038 5.411 529 HB2 GLN 5 HB2 GLN 5 9.772 14.690 8.361 530 HB3 GLN 5 HB1 GLN 5 10.933 14.769 7.051 531 HG2 GLN 5 HG2 GLN 5 10.955 16.899 8.083 532 HG3 GLN 5 HG1 GLN 5 10.084 17.101 6.561 533 HE21 GLN 5 HE21 GLN 5 9.808 17.019 10.042 534 HE22 GLN 5 HE22 GLN 5 8.234 17.727 10.139 535 H THR 6 HN THR 6 8.946 13.197 4.261 536 HA THR 6 HA THR 6 9.474 10.610 5.525 537 HB THR 6 HB THR 6 7.663 9.602 3.912 538 HG1 THR 6 HG1 THR 6 6.863 12.326 4.055 539 HG21 THR 6 HG21 THR 6 7.408 9.525 6.373 540 HG22 THR 6 HG22 THR 6 5.860 9.820 5.576 541 HG23 THR 6 HG23 THR 6 6.719 11.153 6.352 542 H ALA 7 HN ALA 7 10.145 8.992 4.026 543 HA ALA 7 HA ALA 7 10.892 9.810 1.318 544 HB1 ALA 7 HB1 ALA 7 12.853 10.342 2.677 545 HB2 ALA 7 HB2 ALA 7 13.195 8.986 1.601 546 HB3 ALA 7 HB3 ALA 7 12.889 8.697 3.318 547 H ARG 8 HN ARG 8 10.880 8.115 -0.116 548 HA ARG 8 HA ARG 8 9.657 5.604 0.753 549 HB2 ARG 8 HB2 ARG 8 10.333 6.580 -2.063 550 HB3 ARG 8 HB1 ARG 8 9.324 5.188 -1.653 551 HG2 ARG 8 HG2 ARG 8 7.656 6.683 -0.634 552 HG3 ARG 8 HG1 ARG 8 8.679 8.078 -0.977 553 HD2 ARG 8 HD2 ARG 8 8.451 7.597 -3.410 554 HD3 ARG 8 HD1 ARG 8 7.346 6.269 -3.019 555 HE ARG 8 HE ARG 8 6.307 8.479 -1.745 556 HH11 ARG 8 HH11 ARG 8 6.989 7.654 -5.087 557 HH12 ARG 8 HH12 ARG 8 5.778 8.720 -5.718 558 HH21 ARG 8 HH21 ARG 8 4.733 9.867 -2.574 559 HH22 ARG 8 HH22 ARG 8 4.501 9.983 -4.289 560 H M3L 9 HN M3L 9 10.726 3.667 0.800 561 HA M3L 9 HA M3L 9 13.601 3.648 0.351 562 HB2 M3L 9 HB2 M3L 9 11.734 1.433 1.314 563 HB3 M3L 9 HB1 M3L 9 13.500 1.328 1.250 564 HG2 M3L 9 HG2 M3L 9 13.556 3.355 2.803 565 HG3 M3L 9 HG1 M3L 9 11.812 3.143 3.004 566 HD2 M3L 9 HD2 M3L 9 12.327 0.757 3.790 567 HD3 M3L 9 HD1 M3L 9 14.032 1.230 3.814 568 HE2 M3L 9 HE2 M3L 9 13.289 3.179 5.339 569 HE3 M3L 9 HE1 M3L 9 11.752 2.336 5.484 570 HM11 M3L 9 HH33 M3L 9 11.726 -0.006 6.570 571 HM12 M3L 9 HH31 M3L 9 13.213 -0.633 7.292 572 HM13 M3L 9 HH32 M3L 9 13.047 -0.552 5.535 573 HM21 M3L 9 HH11 M3L 9 15.189 0.786 5.410 574 HM22 M3L 9 HH12 M3L 9 15.343 0.703 7.169 575 HM23 M3L 9 HH13 M3L 9 15.357 2.272 6.354 576 HM31 M3L 9 HH21 M3L 9 13.486 1.466 8.633 577 HM32 M3L 9 HH22 M3L 9 11.990 2.095 7.939 578 HM33 M3L 9 HH23 M3L 9 13.476 3.039 7.830 579 H SER 10 HN SER 10 14.656 2.075 -0.952 580 HA SER 10 HA SER 10 14.012 1.963 -3.618 581 HB2 SER 10 HB2 SER 10 16.262 1.534 -2.730 582 HB3 SER 10 HB1 SER 10 15.726 0.022 -2.000 583 HG SER 10 HG SER 10 16.831 0.104 -4.218 584 H THR 11 HN THR 11 12.252 1.103 -4.555 585 HA THR 11 HA THR 11 10.699 -1.004 -3.355 586 HB THR 11 HB THR 11 9.147 -0.698 -5.233 587 HG1 THR 11 HG1 THR 11 9.749 0.208 -7.072 588 HG21 THR 11 HG21 THR 11 8.612 1.687 -4.970 589 HG22 THR 11 HG22 THR 11 10.214 1.997 -4.300 590 HG23 THR 11 HG23 THR 11 9.068 0.992 -3.411 591 H GLY 12 HN GLY 12 13.450 -1.087 -5.297 592 HA2 GLY 12 HA2 GLY 12 13.077 -3.452 -6.796 593 HA3 GLY 12 HA1 GLY 12 14.613 -2.829 -6.216 594 H GLY 13 HN GLY 13 12.223 -5.231 -5.813 595 HA2 GLY 13 HA2 GLY 13 12.602 -5.958 -3.082 596 HA3 GLY 13 HA1 GLY 13 11.861 -6.948 -4.334 597 H LYS 14 HN LYS 14 13.845 -7.361 -6.141 598 HA LYS 14 HA LYS 14 16.359 -8.054 -4.889 599 HB2 LYS 14 HB2 LYS 14 16.233 -10.502 -5.559 600 HB3 LYS 14 HB1 LYS 14 15.200 -10.049 -4.221 601 HG2 LYS 14 HG2 LYS 14 13.883 -11.531 -5.488 602 HG3 LYS 14 HG1 LYS 14 13.277 -9.931 -5.915 603 HD2 LYS 14 HD2 LYS 14 14.512 -9.995 -8.034 604 HD3 LYS 14 HD1 LYS 14 15.237 -11.548 -7.597 605 HE2 LYS 14 HE2 LYS 14 12.263 -11.054 -8.019 606 HE3 LYS 14 HE1 LYS 14 13.351 -11.789 -9.197 607 HZ1 LYS 14 HZ1 LYS 14 13.703 -13.631 -7.718 608 HZ2 LYS 14 HZ2 LYS 14 12.039 -13.415 -7.931 609 HZ3 LYS 14 HZ3 LYS 14 12.782 -12.905 -6.501 610 H ALA 15 HN ALA 15 17.797 -9.221 -6.565 611 HA ALA 15 HA ALA 15 18.937 -9.241 -8.494 612 HB1 ALA 15 HB1 ALA 15 16.926 -10.328 -9.432 613 HB2 ALA 15 HB2 ALA 15 17.742 -9.329 -10.641 614 HB3 ALA 15 HB3 ALA 15 16.274 -8.743 -9.856 Start of MODEL 19 1 H1 GLY 1 HT1 GLY 1 3.870 4.944 -2.157 2 H2 GLY 1 HT2 GLY 1 3.752 3.587 -3.157 3 H3 GLY 1 HT3 GLY 1 4.706 4.903 -3.622 4 HA2 GLY 1 HA1 GLY 1 6.100 3.105 -2.825 5 HA3 GLY 1 HA2 GLY 1 6.217 4.527 -1.793 6 H GLU 2 HN GLU 2 6.264 1.351 -1.525 7 HA GLU 2 HA GLU 2 4.119 0.624 0.198 8 HB2 GLU 2 HB2 GLU 2 6.846 -0.703 -0.149 9 HB3 GLU 2 HB1 GLU 2 5.446 -1.438 0.632 10 HG2 GLU 2 HG2 GLU 2 5.720 -0.688 -2.297 11 HG3 GLU 2 HG1 GLU 2 5.713 -2.314 -1.615 12 H GLN 3 HN GLN 3 7.368 1.828 0.765 13 HA GLN 3 HA GLN 3 6.971 1.744 3.703 14 HB2 GLN 3 HB2 GLN 3 9.539 1.468 2.079 15 HB3 GLN 3 HB1 GLN 3 9.467 1.536 3.839 16 HG2 GLN 3 HG2 GLN 3 8.187 -0.546 3.898 17 HG3 GLN 3 HG1 GLN 3 8.156 -0.610 2.138 18 HE21 GLN 3 HE21 GLN 3 9.234 -2.502 4.151 19 HE22 GLN 3 HE22 GLN 3 10.883 -2.764 3.709 20 H VAL 4 HN VAL 4 6.360 3.736 4.239 21 HA VAL 4 HA VAL 4 8.048 6.064 3.535 22 HB VAL 4 HB VAL 4 5.896 7.484 3.606 23 HG11 VAL 4 HG11 VAL 4 6.183 5.503 1.315 24 HG12 VAL 4 HG12 VAL 4 7.044 7.033 1.491 25 HG13 VAL 4 HG13 VAL 4 5.298 7.033 1.247 26 HG21 VAL 4 HG21 VAL 4 4.362 5.852 4.633 27 HG22 VAL 4 HG22 VAL 4 4.530 4.783 3.240 28 HG23 VAL 4 HG23 VAL 4 3.743 6.356 3.057 29 H PHE 5 HN PHE 5 9.114 6.314 5.430 30 HA PHE 5 HA PHE 5 7.630 6.118 7.996 31 HB2 PHE 5 HB2 PHE 5 10.534 5.467 7.329 32 HB3 PHE 5 HB1 PHE 5 9.946 5.604 8.982 33 HD1 PHE 5 HD1 PHE 5 9.337 3.704 5.796 34 HD2 PHE 5 HD2 PHE 5 9.061 3.704 10.063 35 HE1 PHE 5 HE1 PHE 5 8.678 1.339 5.764 36 HE2 PHE 5 HE2 PHE 5 8.398 1.336 10.017 37 HZ PHE 5 HZ PHE 5 8.206 0.152 7.869 38 H ALA 6 HN ALA 6 8.165 7.547 9.678 39 HA ALA 6 HA ALA 6 9.130 10.189 9.009 40 HB1 ALA 6 HB1 ALA 6 7.353 9.914 10.685 41 HB2 ALA 6 HB2 ALA 6 8.769 10.678 11.409 42 HB3 ALA 6 HB3 ALA 6 8.435 8.971 11.710 43 H VAL 7 HN VAL 7 11.091 11.073 9.624 44 HA VAL 7 HA VAL 7 13.246 9.161 10.338 45 HB VAL 7 HB VAL 7 14.703 10.202 8.717 46 HG11 VAL 7 HG11 VAL 7 13.187 8.500 7.802 47 HG12 VAL 7 HG12 VAL 7 13.534 9.723 6.582 48 HG13 VAL 7 HG13 VAL 7 11.985 9.735 7.428 49 HG21 VAL 7 HG21 VAL 7 12.490 12.214 8.157 50 HG22 VAL 7 HG22 VAL 7 13.996 12.077 7.243 51 HG23 VAL 7 HG23 VAL 7 14.034 12.547 8.943 52 H GLU 8 HN GLU 8 15.034 10.013 11.481 53 HA GLU 8 HA GLU 8 14.797 12.254 13.189 54 HB2 GLU 8 HB2 GLU 8 16.462 10.554 13.712 55 HB3 GLU 8 HB1 GLU 8 17.257 10.773 12.162 56 HG2 GLU 8 HG2 GLU 8 18.628 11.767 13.856 57 HG3 GLU 8 HG1 GLU 8 17.960 13.059 12.867 58 H SER 9 HN SER 9 16.893 11.906 10.309 59 HA SER 9 HA SER 9 16.176 14.375 9.074 60 HB2 SER 9 HB2 SER 9 18.873 14.246 10.516 61 HB3 SER 9 HB1 SER 9 18.514 15.423 9.254 62 HG SER 9 HG SER 9 16.556 15.605 10.997 63 H ILE 10 HN ILE 10 17.841 14.814 7.222 64 HA ILE 10 HA ILE 10 18.843 12.442 5.917 65 HB ILE 10 HB ILE 10 19.585 15.368 5.398 66 HG12 ILE 10 HG12 ILE 10 17.159 15.134 5.178 67 HG13 ILE 10 HG11 ILE 10 17.876 15.358 3.588 68 HG21 ILE 10 HG21 ILE 10 20.225 14.625 3.132 69 HG22 ILE 10 HG22 ILE 10 19.858 12.956 3.573 70 HG23 ILE 10 HG23 ILE 10 21.175 13.809 4.381 71 HD11 ILE 10 HD11 ILE 10 16.121 13.730 3.489 72 HD12 ILE 10 HD12 ILE 10 16.867 12.768 4.763 73 HD13 ILE 10 HD13 ILE 10 17.660 12.924 3.191 74 H ARG 11 HN ARG 11 20.434 11.379 7.008 75 HA ARG 11 HA ARG 11 22.179 12.484 8.926 76 HB2 ARG 11 HB2 ARG 11 21.408 10.010 8.562 77 HB3 ARG 11 HB1 ARG 11 22.748 9.889 7.436 78 HG2 ARG 11 HG2 ARG 11 23.079 10.672 10.360 79 HG3 ARG 11 HG1 ARG 11 23.162 9.008 9.787 80 HD2 ARG 11 HD2 ARG 11 25.121 9.525 8.444 81 HD3 ARG 11 HD1 ARG 11 24.989 11.239 8.842 82 HE ARG 11 HE ARG 11 25.364 9.344 11.044 83 HH11 ARG 11 HH11 ARG 11 26.825 11.761 8.959 84 HH12 ARG 11 HH12 ARG 11 28.180 12.017 10.004 85 HH21 ARG 11 HH21 ARG 11 27.155 9.697 12.403 86 HH22 ARG 11 HH22 ARG 11 28.367 10.853 11.951 87 H LYS 12 HN LYS 12 22.896 11.378 5.564 88 HA LYS 12 HA LYS 12 24.933 13.498 5.302 89 HB2 LYS 12 HB2 LYS 12 25.449 10.554 4.661 90 HB3 LYS 12 HB1 LYS 12 26.446 11.867 4.043 91 HG2 LYS 12 HG2 LYS 12 26.963 12.484 6.450 92 HG3 LYS 12 HG1 LYS 12 26.115 11.016 6.934 93 HD2 LYS 12 HD2 LYS 12 28.500 10.553 6.889 94 HD3 LYS 12 HD1 LYS 12 27.729 9.670 5.568 95 HE2 LYS 12 HE2 LYS 12 28.457 11.456 3.990 96 HE3 LYS 12 HE1 LYS 12 29.258 12.288 5.318 97 HZ1 LYS 12 HZ1 LYS 12 30.813 11.013 4.013 98 HZ2 LYS 12 HZ2 LYS 12 29.946 9.590 4.290 99 HZ3 LYS 12 HZ3 LYS 12 30.712 10.371 5.576 100 H LYS 13 HN LYS 13 25.746 13.389 2.830 101 HA LYS 13 HA LYS 13 23.549 13.117 0.951 102 HB2 LYS 13 HB2 LYS 13 22.860 15.203 2.046 103 HB3 LYS 13 HB1 LYS 13 24.482 15.873 1.905 104 HG2 LYS 13 HG2 LYS 13 24.258 15.994 -0.533 105 HG3 LYS 13 HG1 LYS 13 22.673 15.224 -0.450 106 HD2 LYS 13 HD2 LYS 13 21.823 17.195 0.850 107 HD3 LYS 13 HD1 LYS 13 23.407 17.960 0.677 108 HE2 LYS 13 HE2 LYS 13 23.121 17.902 -1.806 109 HE3 LYS 13 HE1 LYS 13 21.511 17.216 -1.583 110 HZ1 LYS 13 HZ1 LYS 13 22.406 19.873 -0.607 111 HZ2 LYS 13 HZ2 LYS 13 20.853 19.229 -0.437 112 HZ3 LYS 13 HZ3 LYS 13 21.453 19.597 -1.976 113 H ARG 14 HN ARG 14 24.436 12.735 -1.014 114 HA ARG 14 HA ARG 14 27.055 13.777 -1.793 115 HB2 ARG 14 HB2 ARG 14 28.111 11.623 -2.093 116 HB3 ARG 14 HB1 ARG 14 27.496 11.671 -0.448 117 HG2 ARG 14 HG2 ARG 14 25.508 10.328 -1.209 118 HG3 ARG 14 HG1 ARG 14 26.255 10.207 -2.805 119 HD2 ARG 14 HD2 ARG 14 28.241 9.109 -1.698 120 HD3 ARG 14 HD1 ARG 14 27.317 9.103 -0.185 121 HE ARG 14 HE ARG 14 25.949 7.852 -2.420 122 HH11 ARG 14 HH11 ARG 14 28.130 7.230 0.268 123 HH12 ARG 14 HH12 ARG 14 27.858 5.519 0.245 124 HH21 ARG 14 HH21 ARG 14 25.593 5.617 -2.429 125 HH22 ARG 14 HH22 ARG 14 26.411 4.606 -1.280 126 H VAL 15 HN VAL 15 27.620 12.750 -4.055 127 HA VAL 15 HA VAL 15 25.295 11.880 -5.603 128 HB VAL 15 HB VAL 15 25.169 14.231 -6.056 129 HG11 VAL 15 HG11 VAL 15 27.362 14.965 -5.282 130 HG12 VAL 15 HG12 VAL 15 27.034 15.619 -6.888 131 HG13 VAL 15 HG13 VAL 15 28.134 14.250 -6.700 132 HG21 VAL 15 HG21 VAL 15 24.857 12.799 -8.042 133 HG22 VAL 15 HG22 VAL 15 26.574 12.937 -8.429 134 HG23 VAL 15 HG23 VAL 15 25.537 14.364 -8.497 135 H ARG 16 HN ARG 16 25.856 10.087 -6.553 136 HA ARG 16 HA ARG 16 28.620 9.566 -7.456 137 HB2 ARG 16 HB2 ARG 16 27.941 8.544 -5.126 138 HB3 ARG 16 HB1 ARG 16 26.919 7.451 -6.042 139 HG2 ARG 16 HG2 ARG 16 29.933 7.682 -6.416 140 HG3 ARG 16 HG1 ARG 16 29.160 6.526 -5.333 141 HD2 ARG 16 HD2 ARG 16 28.820 6.640 -8.356 142 HD3 ARG 16 HD1 ARG 16 29.801 5.470 -7.462 143 HE ARG 16 HE ARG 16 27.096 5.424 -6.558 144 HH11 ARG 16 HH11 ARG 16 29.084 4.374 -9.250 145 HH12 ARG 16 HH12 ARG 16 28.050 3.052 -9.658 146 HH21 ARG 16 HH21 ARG 16 25.741 3.686 -7.103 147 HH22 ARG 16 HH22 ARG 16 26.142 2.659 -8.442 148 H LYS 17 HN LYS 17 28.557 9.060 -9.565 149 HA LYS 17 HA LYS 17 27.971 8.312 -11.621 150 HB2 LYS 17 HB2 LYS 17 27.663 6.142 -10.351 151 HB3 LYS 17 HB1 LYS 17 25.960 6.518 -10.170 152 HG2 LYS 17 HG2 LYS 17 26.381 4.854 -11.945 153 HG3 LYS 17 HG1 LYS 17 25.609 6.309 -12.579 154 HD2 LYS 17 HD2 LYS 17 27.802 7.094 -13.424 155 HD3 LYS 17 HD1 LYS 17 28.577 5.645 -12.768 156 HE2 LYS 17 HE2 LYS 17 27.377 4.224 -14.325 157 HE3 LYS 17 HE1 LYS 17 26.361 5.571 -14.852 158 HZ1 LYS 17 HZ1 LYS 17 28.338 6.646 -15.743 159 HZ2 LYS 17 HZ2 LYS 17 28.071 5.139 -16.448 160 HZ3 LYS 17 HZ3 LYS 17 29.282 5.316 -15.282 161 H GLY 18 HN GLY 18 26.669 10.614 -10.374 162 HA2 GLY 18 HA2 GLY 18 25.229 12.256 -11.195 163 HA3 GLY 18 HA1 GLY 18 24.478 11.071 -12.249 164 H LYS 19 HN LYS 19 24.389 9.416 -9.539 165 HA LYS 19 HA LYS 19 21.646 10.159 -8.887 166 HB2 LYS 19 HB2 LYS 19 23.365 7.873 -7.818 167 HB3 LYS 19 HB1 LYS 19 21.622 8.056 -7.602 168 HG2 LYS 19 HG2 LYS 19 22.986 7.725 -10.287 169 HG3 LYS 19 HG1 LYS 19 22.307 6.385 -9.356 170 HD2 LYS 19 HD2 LYS 19 20.738 8.779 -10.414 171 HD3 LYS 19 HD1 LYS 19 20.798 7.188 -11.175 172 HE2 LYS 19 HE2 LYS 19 19.749 6.194 -9.162 173 HE3 LYS 19 HE1 LYS 19 19.688 7.789 -8.410 174 HZ1 LYS 19 HZ1 LYS 19 18.242 8.529 -10.193 175 HZ2 LYS 19 HZ2 LYS 19 17.586 7.191 -9.391 176 HZ3 LYS 19 HZ3 LYS 19 18.299 6.999 -10.908 177 H VAL 20 HN VAL 20 21.436 11.771 -7.475 178 HA VAL 20 HA VAL 20 23.361 12.353 -5.393 179 HB VAL 20 HB VAL 20 20.566 13.513 -5.784 180 HG11 VAL 20 HG11 VAL 20 22.908 14.605 -4.172 181 HG12 VAL 20 HG12 VAL 20 21.425 13.912 -3.506 182 HG13 VAL 20 HG13 VAL 20 21.361 15.419 -4.421 183 HG21 VAL 20 HG21 VAL 20 21.939 13.888 -7.792 184 HG22 VAL 20 HG22 VAL 20 23.223 14.588 -6.803 185 HG23 VAL 20 HG23 VAL 20 21.665 15.406 -6.932 186 H GLU 21 HN GLU 21 23.468 11.024 -3.671 187 HA GLU 21 HA GLU 21 21.077 9.525 -2.812 188 HB2 GLU 21 HB2 GLU 21 24.032 8.929 -2.344 189 HB3 GLU 21 HB1 GLU 21 22.685 7.935 -1.791 190 HG2 GLU 21 HG2 GLU 21 22.058 7.463 -4.117 191 HG3 GLU 21 HG1 GLU 21 23.360 8.498 -4.697 192 H TYR 22 HN TYR 22 20.318 9.711 -0.806 193 HA TYR 22 HA TYR 22 21.689 11.468 1.145 194 HB2 TYR 22 HB2 TYR 22 18.721 10.884 0.707 195 HB3 TYR 22 HB1 TYR 22 19.342 11.746 2.109 196 HD1 TYR 22 HD2 TYR 22 21.373 12.916 -0.469 197 HD2 TYR 22 HD1 TYR 22 17.325 13.144 0.885 198 HE1 TYR 22 HE2 TYR 22 21.097 15.052 -1.635 199 HE2 TYR 22 HE1 TYR 22 17.056 15.280 -0.283 200 HH TYR 22 HH TYR 22 19.202 16.406 -2.593 201 H LEU 23 HN LEU 23 22.579 10.257 2.770 202 HA LEU 23 HA LEU 23 21.607 7.676 3.574 203 HB2 LEU 23 HB2 LEU 23 23.953 8.540 3.996 204 HB3 LEU 23 HB1 LEU 23 23.293 9.641 5.196 205 HG LEU 23 HG LEU 23 22.585 7.751 6.596 206 HD11 LEU 23 HD11 LEU 23 23.158 5.428 6.014 207 HD12 LEU 23 HD12 LEU 23 23.718 5.961 4.426 208 HD13 LEU 23 HD13 LEU 23 22.016 6.129 4.868 209 HD21 LEU 23 HD21 LEU 23 25.476 7.433 5.713 210 HD22 LEU 23 HD22 LEU 23 24.787 6.881 7.243 211 HD23 LEU 23 HD23 LEU 23 24.882 8.605 6.892 212 H VAL 24 HN VAL 24 19.706 7.389 4.604 213 HA VAL 24 HA VAL 24 18.367 9.762 5.718 214 HB VAL 24 HB VAL 24 17.064 7.114 4.979 215 HG11 VAL 24 HG11 VAL 24 14.992 8.453 4.821 216 HG12 VAL 24 HG12 VAL 24 15.881 9.900 5.301 217 HG13 VAL 24 HG13 VAL 24 15.704 8.557 6.434 218 HG21 VAL 24 HG21 VAL 24 16.473 8.071 2.802 219 HG22 VAL 24 HG22 VAL 24 18.225 7.990 2.989 220 HG23 VAL 24 HG23 VAL 24 17.389 9.535 3.171 221 H LYS 25 HN LYS 25 18.623 9.915 7.901 222 HA LYS 25 HA LYS 25 19.165 7.614 9.573 223 HB2 LYS 25 HB2 LYS 25 19.924 10.217 9.798 224 HB3 LYS 25 HB1 LYS 25 18.497 10.290 10.813 225 HG2 LYS 25 HG2 LYS 25 21.024 8.666 11.235 226 HG3 LYS 25 HG1 LYS 25 20.353 9.937 12.258 227 HD2 LYS 25 HD2 LYS 25 18.409 8.383 12.753 228 HD3 LYS 25 HD1 LYS 25 19.265 7.123 11.862 229 HE2 LYS 25 HE2 LYS 25 20.183 8.493 14.413 230 HE3 LYS 25 HE1 LYS 25 19.672 6.825 14.228 231 HZ1 LYS 25 HZ1 LYS 25 22.108 8.051 13.050 232 HZ2 LYS 25 HZ2 LYS 25 21.615 6.466 12.791 233 HZ3 LYS 25 HZ3 LYS 25 22.059 6.965 14.345 234 H TRP 26 HN TRP 26 17.503 6.283 10.030 235 HA TRP 26 HA TRP 26 14.755 7.236 10.346 236 HB2 TRP 26 HB2 TRP 26 15.792 4.387 10.739 237 HB3 TRP 26 HB1 TRP 26 14.135 4.892 10.411 238 HD1 TRP 26 HD1 TRP 26 17.323 3.931 8.737 239 HE1 TRP 26 HE1 TRP 26 17.070 4.002 6.184 240 HE3 TRP 26 HE3 TRP 26 12.811 6.295 8.434 241 HZ2 TRP 26 HZ2 TRP 26 15.231 4.963 4.280 242 HZ3 TRP 26 HZ3 TRP 26 11.869 6.760 6.204 243 HH2 TRP 26 HH2 TRP 26 13.054 6.106 4.167 244 H LYS 27 HN LYS 27 13.700 7.441 12.303 245 HA LYS 27 HA LYS 27 15.383 7.764 14.638 246 HB2 LYS 27 HB2 LYS 27 13.802 9.526 14.081 247 HB3 LYS 27 HB1 LYS 27 12.459 8.397 14.094 248 HG2 LYS 27 HG2 LYS 27 12.526 9.899 16.073 249 HG3 LYS 27 HG1 LYS 27 12.545 8.185 16.482 250 HD2 LYS 27 HD2 LYS 27 14.094 9.449 17.917 251 HD3 LYS 27 HD1 LYS 27 14.970 8.293 16.916 252 HE2 LYS 27 HE2 LYS 27 16.199 10.378 16.999 253 HE3 LYS 27 HE1 LYS 27 15.571 10.155 15.369 254 HZ1 LYS 27 HZ1 LYS 27 15.262 12.416 16.081 255 HZ2 LYS 27 HZ2 LYS 27 14.430 11.919 17.465 256 HZ3 LYS 27 HZ3 LYS 27 13.750 11.669 15.941 257 H GLY 28 HN GLY 28 12.463 5.818 13.839 258 HA2 GLY 28 HA2 GLY 28 12.389 4.537 16.445 259 HA3 GLY 28 HA1 GLY 28 11.350 4.191 15.077 260 H TRP 29 HN TRP 29 14.362 3.986 13.831 261 HA TRP 29 HA TRP 29 14.635 1.068 14.305 262 HB2 TRP 29 HB2 TRP 29 14.957 2.685 11.733 263 HB3 TRP 29 HB1 TRP 29 15.483 1.012 11.892 264 HD1 TRP 29 HD1 TRP 29 12.157 3.047 12.171 265 HE1 TRP 29 HE1 TRP 29 10.248 1.534 11.364 266 HE3 TRP 29 HE3 TRP 29 14.829 -1.236 11.345 267 HZ2 TRP 29 HZ2 TRP 29 9.912 -1.129 10.491 268 HZ3 TRP 29 HZ3 TRP 29 13.639 -3.225 10.512 269 HH2 TRP 29 HH2 TRP 29 11.228 -3.172 10.093 270 HA PRO 30 HA PRO 30 18.813 1.916 15.599 271 HB2 PRO 30 HB2 PRO 30 20.152 -0.368 14.769 272 HB3 PRO 30 HB1 PRO 30 19.089 -0.305 16.178 273 HG2 PRO 30 HG2 PRO 30 18.512 -1.278 13.400 274 HG3 PRO 30 HG1 PRO 30 18.050 -2.000 14.953 275 HD2 PRO 30 HD2 PRO 30 16.305 -0.556 13.459 276 HD3 PRO 30 HD1 PRO 30 16.244 -0.544 15.236 277 HA PRO 31 HA PRO 31 20.825 4.330 12.630 278 HB2 PRO 31 HB2 PRO 31 23.560 3.974 13.174 279 HB3 PRO 31 HB1 PRO 31 22.458 4.995 14.106 280 HG2 PRO 31 HG2 PRO 31 23.284 2.134 14.614 281 HG3 PRO 31 HG1 PRO 31 23.219 3.496 15.758 282 HD2 PRO 31 HD2 PRO 31 21.245 1.746 15.762 283 HD3 PRO 31 HD1 PRO 31 20.843 3.484 15.827 284 H LYS 32 HN LYS 32 22.075 0.998 12.546 285 HA LYS 32 HA LYS 32 23.532 1.326 10.085 286 HB2 LYS 32 HB2 LYS 32 23.831 -1.113 10.138 287 HB3 LYS 32 HB1 LYS 32 24.218 -0.372 11.688 288 HG2 LYS 32 HG2 LYS 32 22.069 -1.141 12.613 289 HG3 LYS 32 HG1 LYS 32 21.633 -1.840 11.047 290 HD2 LYS 32 HD2 LYS 32 23.581 -3.373 11.203 291 HD3 LYS 32 HD1 LYS 32 23.999 -2.683 12.775 292 HE2 LYS 32 HE2 LYS 32 21.824 -3.485 13.672 293 HE3 LYS 32 HE1 LYS 32 21.453 -4.210 12.103 294 HZ1 LYS 32 HZ1 LYS 32 22.350 -5.836 13.631 295 HZ2 LYS 32 HZ2 LYS 32 23.749 -4.911 13.852 296 HZ3 LYS 32 HZ3 LYS 32 23.420 -5.604 12.344 297 H TYR 33 HN TYR 33 20.198 0.788 10.770 298 HA TYR 33 HA TYR 33 19.465 -0.316 8.197 299 HB2 TYR 33 HB2 TYR 33 17.912 0.703 10.590 300 HB3 TYR 33 HB1 TYR 33 17.075 0.419 9.070 301 HD1 TYR 33 HD2 TYR 33 19.390 -1.341 11.465 302 HD2 TYR 33 HD1 TYR 33 16.172 -1.736 8.675 303 HE1 TYR 33 HE2 TYR 33 19.192 -3.728 12.018 304 HE2 TYR 33 HE1 TYR 33 15.984 -4.120 9.231 305 HH TYR 33 HH TYR 33 17.502 -5.516 11.926 306 H SER 34 HN SER 34 20.555 2.727 9.038 307 HA SER 34 HA SER 34 18.875 4.403 7.472 308 HB2 SER 34 HB2 SER 34 21.785 4.772 8.286 309 HB3 SER 34 HB1 SER 34 20.756 6.024 7.587 310 HG SER 34 HG SER 34 20.118 4.623 9.970 311 H THR 35 HN THR 35 18.617 4.367 5.363 312 HA THR 35 HA THR 35 20.418 2.812 3.636 313 HB THR 35 HB THR 35 18.442 2.906 2.036 314 HG1 THR 35 HG1 THR 35 17.308 4.685 2.683 315 HG21 THR 35 HG21 THR 35 18.707 0.949 3.529 316 HG22 THR 35 HG22 THR 35 17.003 1.333 3.277 317 HG23 THR 35 HG23 THR 35 17.792 1.782 4.790 318 H TRP 36 HN TRP 36 21.515 3.739 1.904 319 HA TRP 36 HA TRP 36 21.364 6.592 1.384 320 HB2 TRP 36 HB2 TRP 36 22.823 4.341 -0.085 321 HB3 TRP 36 HB1 TRP 36 22.899 6.031 -0.576 322 HD1 TRP 36 HD1 TRP 36 24.335 3.606 1.976 323 HE1 TRP 36 HE1 TRP 36 26.154 4.798 3.336 324 HE3 TRP 36 HE3 TRP 36 23.552 8.404 0.378 325 HZ2 TRP 36 HZ2 TRP 36 27.148 7.403 3.686 326 HZ3 TRP 36 HZ3 TRP 36 24.988 10.193 1.279 327 HH2 TRP 36 HH2 TRP 36 26.752 9.698 2.904 328 H GLU 37 HN GLU 37 19.598 7.306 0.465 329 HA GLU 37 HA GLU 37 18.203 5.785 -1.640 330 HB2 GLU 37 HB2 GLU 37 17.267 7.050 0.910 331 HB3 GLU 37 HB1 GLU 37 16.229 7.297 -0.476 332 HG2 GLU 37 HG2 GLU 37 17.118 4.577 0.503 333 HG3 GLU 37 HG1 GLU 37 15.607 5.360 0.972 334 HA PRO 38 HA PRO 38 19.228 9.418 -4.161 335 HB2 PRO 38 HB2 PRO 38 17.302 9.005 -6.144 336 HB3 PRO 38 HB1 PRO 38 18.869 8.183 -6.076 337 HG2 PRO 38 HG2 PRO 38 16.182 7.232 -5.087 338 HG3 PRO 38 HG1 PRO 38 17.395 6.346 -6.037 339 HD2 PRO 38 HD2 PRO 38 17.182 5.925 -3.417 340 HD3 PRO 38 HD1 PRO 38 18.796 6.018 -4.164 341 H GLU 39 HN GLU 39 18.413 11.513 -4.490 342 HA GLU 39 HA GLU 39 17.016 12.433 -2.290 343 HB2 GLU 39 HB2 GLU 39 17.233 14.663 -3.210 344 HB3 GLU 39 HB1 GLU 39 18.697 13.745 -3.523 345 HG2 GLU 39 HG2 GLU 39 18.084 13.461 -5.857 346 HG3 GLU 39 HG1 GLU 39 16.517 14.224 -5.578 347 H GLU 40 HN GLU 40 15.688 11.557 -5.347 348 HA GLU 40 HA GLU 40 13.318 13.072 -5.438 349 HB2 GLU 40 HB2 GLU 40 14.332 11.820 -7.352 350 HB3 GLU 40 HB1 GLU 40 13.869 10.305 -6.595 351 HG2 GLU 40 HG2 GLU 40 12.352 10.903 -8.415 352 HG3 GLU 40 HG1 GLU 40 11.508 10.846 -6.868 353 H HIS 41 HN HIS 41 14.148 10.291 -3.520 354 HA HIS 41 HA HIS 41 11.559 9.163 -3.149 355 HB2 HIS 41 HB2 HIS 41 12.591 7.591 -1.759 356 HB3 HIS 41 HB1 HIS 41 13.926 8.086 -2.789 357 HD1 HIS 41 HD1 HIS 41 12.977 7.693 0.642 358 HD2 HIS 41 HD2 HIS 41 15.683 10.076 -1.405 359 HE1 HIS 41 HE1 HIS 41 14.534 8.564 2.389 360 HE2 HIS 41 HE2 HIS 41 16.300 9.813 1.087 361 H ILE 42 HN ILE 42 13.094 11.887 -1.727 362 HA ILE 42 HA ILE 42 11.833 11.891 0.848 363 HB ILE 42 HB ILE 42 13.112 14.171 -0.725 364 HG12 ILE 42 HG12 ILE 42 14.691 12.301 -0.217 365 HG13 ILE 42 HG11 ILE 42 15.133 13.797 0.598 366 HG21 ILE 42 HG21 ILE 42 13.321 15.341 1.451 367 HG22 ILE 42 HG22 ILE 42 12.373 14.064 2.216 368 HG23 ILE 42 HG23 ILE 42 11.639 15.090 0.980 369 HD11 ILE 42 HD11 ILE 42 14.224 12.957 2.684 370 HD12 ILE 42 HD12 ILE 42 15.414 11.839 2.021 371 HD13 ILE 42 HD13 ILE 42 13.694 11.475 1.883 372 H LEU 43 HN LEU 43 9.879 12.795 1.448 373 HA LEU 43 HA LEU 43 8.050 13.572 -0.739 374 HB2 LEU 43 HB2 LEU 43 7.366 12.738 2.108 375 HB3 LEU 43 HB1 LEU 43 6.252 12.901 0.757 376 HG LEU 43 HG LEU 43 8.363 10.741 1.163 377 HD11 LEU 43 HD11 LEU 43 6.455 9.193 1.138 378 HD12 LEU 43 HD12 LEU 43 5.339 10.549 0.960 379 HD13 LEU 43 HD13 LEU 43 6.302 10.384 2.428 380 HD21 LEU 43 HD21 LEU 43 6.631 11.198 -1.283 381 HD22 LEU 43 HD22 LEU 43 7.631 9.773 -0.980 382 HD23 LEU 43 HD23 LEU 43 8.387 11.348 -1.186 383 H ASP 44 HN ASP 44 10.003 15.255 1.219 384 HA ASP 44 HA ASP 44 8.223 17.550 1.498 385 HB2 ASP 44 HB2 ASP 44 7.797 16.341 3.584 386 HB3 ASP 44 HB1 ASP 44 9.526 16.199 3.907 387 HA PRO 45 HA PRO 45 12.237 19.430 0.373 388 HB2 PRO 45 HB2 PRO 45 11.444 22.063 0.511 389 HB3 PRO 45 HB1 PRO 45 11.078 21.012 -0.860 390 HG2 PRO 45 HG2 PRO 45 9.333 21.718 1.500 391 HG3 PRO 45 HG1 PRO 45 8.916 21.688 -0.228 392 HD2 PRO 45 HD2 PRO 45 8.243 19.647 1.396 393 HD3 PRO 45 HD1 PRO 45 8.757 19.344 -0.280 394 H ARG 46 HN ARG 46 10.350 20.426 3.198 395 HA ARG 46 HA ARG 46 12.403 21.973 4.456 396 HB2 ARG 46 HB2 ARG 46 9.873 20.756 5.644 397 HB3 ARG 46 HB1 ARG 46 10.913 21.927 6.459 398 HG2 ARG 46 HG2 ARG 46 10.429 23.567 4.646 399 HG3 ARG 46 HG1 ARG 46 9.321 22.400 3.916 400 HD2 ARG 46 HD2 ARG 46 7.869 22.485 5.859 401 HD3 ARG 46 HD1 ARG 46 9.027 23.484 6.746 402 HE ARG 46 HE ARG 46 7.269 24.326 4.551 403 HH11 ARG 46 HH11 ARG 46 9.745 25.249 6.884 404 HH12 ARG 46 HH12 ARG 46 9.463 26.949 6.682 405 HH21 ARG 46 HH21 ARG 46 6.932 26.545 4.281 406 HH22 ARG 46 HH22 ARG 46 7.863 27.685 5.192 407 H LEU 47 HN LEU 47 11.861 18.572 4.290 408 HA LEU 47 HA LEU 47 13.270 17.751 6.638 409 HB2 LEU 47 HB2 LEU 47 11.849 16.165 5.541 410 HB3 LEU 47 HB1 LEU 47 12.636 16.394 3.994 411 HG LEU 47 HG LEU 47 14.585 15.131 4.696 412 HD11 LEU 47 HD11 LEU 47 14.816 15.860 7.012 413 HD12 LEU 47 HD12 LEU 47 14.811 14.103 6.908 414 HD13 LEU 47 HD13 LEU 47 13.369 14.953 7.466 415 HD21 LEU 47 HD21 LEU 47 13.606 12.918 5.097 416 HD22 LEU 47 HD22 LEU 47 12.659 13.809 3.907 417 HD23 LEU 47 HD23 LEU 47 12.074 13.660 5.567 418 H VAL 48 HN VAL 48 14.299 18.088 3.242 419 HA VAL 48 HA VAL 48 17.069 17.491 3.719 420 HB VAL 48 HB VAL 48 15.908 18.990 1.328 421 HG11 VAL 48 HG11 VAL 48 18.407 17.264 1.561 422 HG12 VAL 48 HG12 VAL 48 18.374 19.026 1.437 423 HG13 VAL 48 HG13 VAL 48 17.826 18.037 0.082 424 HG21 VAL 48 HG21 VAL 48 14.606 16.929 1.652 425 HG22 VAL 48 HG22 VAL 48 16.090 15.973 1.706 426 HG23 VAL 48 HG23 VAL 48 15.623 16.794 0.215 427 H MET 49 HN MET 49 15.124 20.373 3.560 428 HA MET 49 HA MET 49 17.224 22.305 3.779 429 HB2 MET 49 HB2 MET 49 14.203 22.447 4.127 430 HB3 MET 49 HB1 MET 49 15.248 23.862 4.317 431 HG2 MET 49 HG2 MET 49 14.978 22.194 1.800 432 HG3 MET 49 HG1 MET 49 14.198 23.748 2.091 433 HE1 MET 49 HE1 MET 49 15.439 26.076 2.070 434 HE2 MET 49 HE2 MET 49 17.195 26.247 2.061 435 HE3 MET 49 HE3 MET 49 16.387 25.544 3.462 436 H ALA 50 HN ALA 50 15.270 20.470 6.114 437 HA ALA 50 HA ALA 50 16.012 21.918 8.472 438 HB1 ALA 50 HB1 ALA 50 15.237 18.983 8.226 439 HB2 ALA 50 HB2 ALA 50 14.127 20.325 8.494 440 HB3 ALA 50 HB3 ALA 50 15.309 19.911 9.733 441 H TYR 51 HN TYR 51 17.570 19.446 6.549 442 HA TYR 51 HA TYR 51 19.635 18.714 8.392 443 HB2 TYR 51 HB2 TYR 51 19.054 17.178 6.622 444 HB3 TYR 51 HB1 TYR 51 19.281 18.404 5.385 445 HD1 TYR 51 HD2 TYR 51 21.587 17.399 8.184 446 HD2 TYR 51 HD1 TYR 51 20.951 17.493 3.967 447 HE1 TYR 51 HE2 TYR 51 23.851 16.540 7.826 448 HE2 TYR 51 HE1 TYR 51 23.219 16.626 3.607 449 HH TYR 51 HH TYR 51 25.357 16.483 4.758 450 H GLU 52 HN GLU 52 19.602 20.807 5.477 451 HA GLU 52 HA GLU 52 22.410 21.463 5.785 452 HB2 GLU 52 HB2 GLU 52 20.332 22.368 3.746 453 HB3 GLU 52 HB1 GLU 52 22.049 22.768 3.662 454 HG2 GLU 52 HG2 GLU 52 22.618 20.389 3.476 455 HG3 GLU 52 HG1 GLU 52 20.914 19.949 3.609 456 H GLU 53 HN GLU 53 19.412 22.986 6.687 457 HA GLU 53 HA GLU 53 20.769 25.574 7.234 458 HB2 GLU 53 HB2 GLU 53 17.777 24.981 7.013 459 HB3 GLU 53 HB1 GLU 53 18.500 26.569 7.259 460 HG2 GLU 53 HG2 GLU 53 18.838 24.823 4.794 461 HG3 GLU 53 HG1 GLU 53 17.777 26.222 4.928 462 H LYS 54 HN LYS 54 20.548 22.904 8.896 463 HA LYS 54 HA LYS 54 19.282 23.703 11.360 464 HB2 LYS 54 HB2 LYS 54 19.821 21.271 10.521 465 HB3 LYS 54 HB1 LYS 54 21.438 21.558 11.143 466 HG2 LYS 54 HG2 LYS 54 20.534 21.906 13.399 467 HG3 LYS 54 HG1 LYS 54 18.887 21.695 12.794 468 HD2 LYS 54 HD2 LYS 54 21.062 19.558 12.718 469 HD3 LYS 54 HD1 LYS 54 19.801 19.669 13.948 470 HE2 LYS 54 HE2 LYS 54 18.075 19.324 12.209 471 HE3 LYS 54 HE1 LYS 54 19.333 19.231 10.974 472 HZ1 LYS 54 HZ1 LYS 54 20.223 17.285 12.114 473 HZ2 LYS 54 HZ2 LYS 54 18.619 17.054 11.638 474 HZ3 LYS 54 HZ3 LYS 54 18.976 17.369 13.254 475 H GLU 55 HN GLU 55 20.726 23.715 13.448 476 HA GLU 55 HA GLU 55 22.069 24.924 14.798 477 HB2 GLU 55 HB2 GLU 55 23.992 24.767 12.436 478 HB3 GLU 55 HB1 GLU 55 24.414 25.592 13.924 479 HG2 GLU 55 HG2 GLU 55 25.412 23.389 13.914 480 HG3 GLU 55 HG1 GLU 55 24.190 23.478 15.182 481 H GLU 56 HN GLU 56 20.154 26.172 12.844 482 HA GLU 56 HA GLU 56 20.891 28.972 13.221 483 HB2 GLU 56 HB2 GLU 56 21.780 28.392 10.953 484 HB3 GLU 56 HB1 GLU 56 20.188 27.826 10.473 485 HG2 GLU 56 HG2 GLU 56 20.455 29.978 9.519 486 HG3 GLU 56 HG1 GLU 56 19.326 30.164 10.857 487 H1 ALA 1 HT1 ALA 1 4.108 16.391 16.841 488 H2 ALA 1 HT2 ALA 1 5.325 16.339 18.010 489 H3 ALA 1 HT3 ALA 1 4.366 14.977 17.725 490 HA ALA 1 HA ALA 1 6.575 14.767 16.761 491 HB1 ALA 1 HB1 ALA 1 5.815 14.006 14.548 492 HB2 ALA 1 HB2 ALA 1 4.310 14.909 14.749 493 HB3 ALA 1 HB3 ALA 1 4.669 13.545 15.810 494 H ARG 2 HN ARG 2 7.916 16.567 16.898 495 HA ARG 2 HA ARG 2 7.631 18.990 15.453 496 HB2 ARG 2 HB2 ARG 2 8.965 19.097 17.426 497 HB3 ARG 2 HB1 ARG 2 9.949 17.720 16.955 498 HG2 ARG 2 HG2 ARG 2 11.172 19.012 15.350 499 HG3 ARG 2 HG1 ARG 2 10.032 20.356 15.447 500 HD2 ARG 2 HD2 ARG 2 11.793 19.449 17.760 501 HD3 ARG 2 HD1 ARG 2 12.212 20.754 16.644 502 HE ARG 2 HE ARG 2 9.742 21.451 17.560 503 HH11 ARG 2 HH11 ARG 2 12.739 20.684 19.230 504 HH12 ARG 2 HH12 ARG 2 12.442 21.800 20.519 505 HH21 ARG 2 HH21 ARG 2 9.383 22.917 19.237 506 HH22 ARG 2 HH22 ARG 2 10.549 23.092 20.505 507 H THR 3 HN THR 3 9.756 16.174 14.926 508 HA THR 3 HA THR 3 10.189 17.041 12.126 509 HB THR 3 HB THR 3 11.909 15.088 13.721 510 HG1 THR 3 HG1 THR 3 12.065 17.909 13.453 511 HG21 THR 3 HG21 THR 3 12.481 16.649 11.162 512 HG22 THR 3 HG22 THR 3 12.199 14.906 11.264 513 HG23 THR 3 HG23 THR 3 13.630 15.617 12.013 514 H LYS 4 HN LYS 4 7.877 16.116 12.036 515 HA LYS 4 HA LYS 4 7.822 13.208 11.556 516 HB2 LYS 4 HB2 LYS 4 5.880 14.326 12.747 517 HB3 LYS 4 HB1 LYS 4 5.554 15.241 11.284 518 HG2 LYS 4 HG2 LYS 4 4.007 13.385 11.408 519 HG3 LYS 4 HG1 LYS 4 5.126 13.108 10.068 520 HD2 LYS 4 HD2 LYS 4 6.481 11.656 11.700 521 HD3 LYS 4 HD1 LYS 4 5.101 11.768 12.797 522 HE2 LYS 4 HE2 LYS 4 5.038 10.618 9.980 523 HE3 LYS 4 HE1 LYS 4 5.088 9.678 11.469 524 HZ1 LYS 4 HZ1 LYS 4 2.891 11.503 10.647 525 HZ2 LYS 4 HZ2 LYS 4 2.941 10.612 12.081 526 HZ3 LYS 4 HZ3 LYS 4 2.853 9.815 10.590 527 H GLN 5 HN GLN 5 9.501 13.632 9.884 528 HA GLN 5 HA GLN 5 8.460 14.809 7.371 529 HB2 GLN 5 HB2 GLN 5 11.380 14.196 7.971 530 HB3 GLN 5 HB1 GLN 5 10.719 15.233 6.706 531 HG2 GLN 5 HG2 GLN 5 10.881 15.768 9.678 532 HG3 GLN 5 HG1 GLN 5 11.703 16.626 8.380 533 HE21 GLN 5 HE21 GLN 5 9.280 16.879 6.711 534 HE22 GLN 5 HE22 GLN 5 8.301 18.066 7.487 535 H THR 6 HN THR 6 7.607 13.297 6.118 536 HA THR 6 HA THR 6 8.275 10.518 6.226 537 HB THR 6 HB THR 6 6.659 10.406 4.221 538 HG1 THR 6 HG1 THR 6 5.330 12.507 4.321 539 HG21 THR 6 HG21 THR 6 5.895 9.911 6.518 540 HG22 THR 6 HG22 THR 6 4.655 10.780 5.613 541 HG23 THR 6 HG23 THR 6 5.630 11.636 6.811 542 H ALA 7 HN ALA 7 9.705 9.453 5.123 543 HA ALA 7 HA ALA 7 10.719 10.379 2.519 544 HB1 ALA 7 HB1 ALA 7 12.458 9.367 4.805 545 HB2 ALA 7 HB2 ALA 7 12.372 11.036 4.240 546 HB3 ALA 7 HB3 ALA 7 13.014 9.782 3.180 547 H ARG 8 HN ARG 8 10.848 8.677 1.070 548 HA ARG 8 HA ARG 8 9.602 6.184 1.751 549 HB2 ARG 8 HB2 ARG 8 10.906 7.154 -0.812 550 HB3 ARG 8 HB1 ARG 8 10.126 5.582 -0.669 551 HG2 ARG 8 HG2 ARG 8 7.986 6.767 -0.109 552 HG3 ARG 8 HG1 ARG 8 8.796 8.304 -0.434 553 HD2 ARG 8 HD2 ARG 8 9.205 7.619 -2.749 554 HD3 ARG 8 HD1 ARG 8 8.496 6.029 -2.435 555 HE ARG 8 HE ARG 8 6.651 8.134 -1.857 556 HH11 ARG 8 HH11 ARG 8 8.058 6.375 -4.550 557 HH12 ARG 8 HH12 ARG 8 6.689 6.618 -5.584 558 HH21 ARG 8 HH21 ARG 8 4.878 8.464 -3.243 559 HH22 ARG 8 HH22 ARG 8 4.895 7.812 -4.845 560 H M3L 9 HN M3L 9 10.512 4.079 1.061 561 HA M3L 9 HA M3L 9 13.473 3.867 1.128 562 HB2 M3L 9 HB2 M3L 9 11.486 1.729 2.028 563 HB3 M3L 9 HB1 M3L 9 13.245 1.608 2.047 564 HG2 M3L 9 HG2 M3L 9 13.273 3.508 3.700 565 HG3 M3L 9 HG1 M3L 9 11.508 3.397 3.764 566 HD2 M3L 9 HD2 M3L 9 11.623 1.126 4.640 567 HD3 M3L 9 HD1 M3L 9 13.374 1.076 4.404 568 HE2 M3L 9 HE2 M3L 9 13.512 3.039 6.030 569 HE3 M3L 9 HE1 M3L 9 11.812 2.753 6.391 570 HM11 M3L 9 HH33 M3L 9 11.116 0.678 7.611 571 HM12 M3L 9 HH31 M3L 9 12.314 -0.541 8.055 572 HM13 M3L 9 HH32 M3L 9 11.856 -0.329 6.363 573 HM21 M3L 9 HH11 M3L 9 15.240 1.259 6.575 574 HM22 M3L 9 HH12 M3L 9 14.301 -0.005 5.773 575 HM23 M3L 9 HH13 M3L 9 14.753 -0.185 7.470 576 HM31 M3L 9 HH21 M3L 9 14.157 2.693 8.342 577 HM32 M3L 9 HH22 M3L 9 13.684 1.234 9.212 578 HM33 M3L 9 HH23 M3L 9 12.464 2.432 8.779 579 H SER 10 HN SER 10 10.391 2.551 -0.071 580 HA SER 10 HA SER 10 11.370 2.103 -2.705 581 HB2 SER 10 HB2 SER 10 11.210 -0.392 -2.693 582 HB3 SER 10 HB1 SER 10 12.520 0.194 -1.667 583 HG SER 10 HG SER 10 11.391 -0.357 0.113 584 H THR 11 HN THR 11 9.762 1.285 -4.152 585 HA THR 11 HA THR 11 6.971 1.086 -3.168 586 HB THR 11 HB THR 11 7.432 2.772 -4.979 587 HG1 THR 11 HG1 THR 11 5.856 0.795 -6.205 588 HG21 THR 11 HG21 THR 11 9.230 1.580 -6.202 589 HG22 THR 11 HG22 THR 11 7.903 2.015 -7.282 590 HG23 THR 11 HG23 THR 11 8.070 0.352 -6.716 591 H GLY 12 HN GLY 12 9.491 -0.842 -3.569 592 HA2 GLY 12 HA2 GLY 12 8.245 -3.332 -3.649 593 HA3 GLY 12 HA1 GLY 12 8.750 -2.965 -5.302 594 H GLY 13 HN GLY 13 9.966 -5.135 -4.138 595 HA2 GLY 13 HA2 GLY 13 12.674 -4.128 -3.394 596 HA3 GLY 13 HA1 GLY 13 11.882 -5.368 -2.434 597 H LYS 14 HN LYS 14 11.439 -5.457 -5.877 598 HA LYS 14 HA LYS 14 13.370 -7.712 -6.093 599 HB2 LYS 14 HB2 LYS 14 10.615 -7.464 -7.382 600 HB3 LYS 14 HB1 LYS 14 11.774 -8.755 -7.709 601 HG2 LYS 14 HG2 LYS 14 11.645 -9.436 -5.315 602 HG3 LYS 14 HG1 LYS 14 10.440 -8.177 -5.047 603 HD2 LYS 14 HD2 LYS 14 9.133 -10.111 -5.316 604 HD3 LYS 14 HD1 LYS 14 9.068 -9.368 -6.913 605 HE2 LYS 14 HE2 LYS 14 10.893 -11.667 -6.108 606 HE3 LYS 14 HE1 LYS 14 9.402 -11.823 -7.033 607 HZ1 LYS 14 HZ1 LYS 14 11.283 -11.889 -8.481 608 HZ2 LYS 14 HZ2 LYS 14 11.877 -10.425 -7.893 609 HZ3 LYS 14 HZ3 LYS 14 10.432 -10.458 -8.779 610 H ALA 15 HN ALA 15 14.994 -7.160 -7.382 611 HA ALA 15 HA ALA 15 14.833 -5.069 -9.371 612 HB1 ALA 15 HB1 ALA 15 17.123 -6.963 -8.706 613 HB2 ALA 15 HB2 ALA 15 16.870 -5.359 -8.015 614 HB3 ALA 15 HB3 ALA 15 17.226 -5.529 -9.734 Start of MODEL 20 1 H1 GLY 1 HT1 GLY 1 4.951 -4.012 -3.901 2 H2 GLY 1 HT2 GLY 1 5.538 -3.654 -2.356 3 H3 GLY 1 HT3 GLY 1 6.610 -3.811 -3.651 4 HA2 GLY 1 HA1 GLY 1 5.678 -1.856 -4.708 5 HA3 GLY 1 HA2 GLY 1 4.534 -1.716 -3.376 6 H GLU 2 HN GLU 2 5.548 0.499 -3.289 7 HA GLU 2 HA GLU 2 8.252 0.862 -2.389 8 HB2 GLU 2 HB2 GLU 2 7.584 3.219 -2.027 9 HB3 GLU 2 HB1 GLU 2 7.073 2.635 -3.609 10 HG2 GLU 2 HG2 GLU 2 4.775 2.329 -2.780 11 HG3 GLU 2 HG1 GLU 2 5.270 2.866 -1.174 12 H GLN 3 HN GLN 3 8.415 2.413 -0.275 13 HA GLN 3 HA GLN 3 6.849 1.472 1.977 14 HB2 GLN 3 HB2 GLN 3 8.563 -0.338 1.611 15 HB3 GLN 3 HB1 GLN 3 9.839 0.857 1.802 16 HG2 GLN 3 HG2 GLN 3 9.514 -0.474 3.839 17 HG3 GLN 3 HG1 GLN 3 9.202 1.239 4.113 18 HE21 GLN 3 HE21 GLN 3 7.788 -1.942 3.980 19 HE22 GLN 3 HE22 GLN 3 6.243 -1.514 4.620 20 H VAL 4 HN VAL 4 6.500 3.271 3.131 21 HA VAL 4 HA VAL 4 8.554 5.416 3.281 22 HB VAL 4 HB VAL 4 6.684 6.992 3.850 23 HG11 VAL 4 HG11 VAL 4 6.324 5.585 1.176 24 HG12 VAL 4 HG12 VAL 4 7.464 6.886 1.530 25 HG13 VAL 4 HG13 VAL 4 5.729 7.200 1.576 26 HG21 VAL 4 HG21 VAL 4 5.046 5.383 4.769 27 HG22 VAL 4 HG22 VAL 4 4.814 4.680 3.168 28 HG23 VAL 4 HG23 VAL 4 4.317 6.346 3.481 29 H PHE 5 HN PHE 5 8.968 6.399 5.292 30 HA PHE 5 HA PHE 5 7.828 5.299 7.755 31 HB2 PHE 5 HB2 PHE 5 10.692 4.846 6.874 32 HB3 PHE 5 HB1 PHE 5 10.392 5.126 8.580 33 HD1 PHE 5 HD2 PHE 5 9.879 2.767 5.784 34 HD2 PHE 5 HD1 PHE 5 9.259 3.468 9.948 35 HE1 PHE 5 HE2 PHE 5 9.370 0.387 6.130 36 HE2 PHE 5 HE1 PHE 5 8.754 1.090 10.260 37 HZ PHE 5 HZ PHE 5 8.810 -0.451 8.357 38 H ALA 6 HN ALA 6 8.513 6.433 9.670 39 HA ALA 6 HA ALA 6 8.661 9.275 9.452 40 HB1 ALA 6 HB1 ALA 6 9.048 7.498 11.891 41 HB2 ALA 6 HB2 ALA 6 7.512 8.168 11.337 42 HB3 ALA 6 HB3 ALA 6 8.784 9.245 11.917 43 H VAL 7 HN VAL 7 10.407 10.516 9.327 44 HA VAL 7 HA VAL 7 13.108 9.345 9.549 45 HB VAL 7 HB VAL 7 13.842 11.224 8.098 46 HG11 VAL 7 HG11 VAL 7 12.763 10.499 6.015 47 HG12 VAL 7 HG12 VAL 7 11.484 9.702 6.933 48 HG13 VAL 7 HG13 VAL 7 13.146 9.116 7.042 49 HG21 VAL 7 HG21 VAL 7 12.222 12.946 8.764 50 HG22 VAL 7 HG22 VAL 7 10.900 12.028 8.036 51 HG23 VAL 7 HG23 VAL 7 12.166 12.714 7.015 52 H GLU 8 HN GLU 8 14.706 10.407 10.656 53 HA GLU 8 HA GLU 8 14.022 12.468 12.597 54 HB2 GLU 8 HB2 GLU 8 15.565 10.580 13.206 55 HB3 GLU 8 HB1 GLU 8 16.702 11.123 11.985 56 HG2 GLU 8 HG2 GLU 8 17.438 11.834 14.192 57 HG3 GLU 8 HG1 GLU 8 17.023 13.239 13.206 58 H SER 9 HN SER 9 16.699 12.099 10.301 59 HA SER 9 HA SER 9 16.126 14.418 8.722 60 HB2 SER 9 HB2 SER 9 18.520 14.499 10.628 61 HB3 SER 9 HB1 SER 9 18.323 15.595 9.256 62 HG SER 9 HG SER 9 16.111 15.877 10.487 63 H ILE 10 HN ILE 10 18.222 14.771 7.257 64 HA ILE 10 HA ILE 10 19.122 12.248 6.189 65 HB ILE 10 HB ILE 10 20.086 15.089 5.610 66 HG12 ILE 10 HG12 ILE 10 17.723 14.891 5.041 67 HG13 ILE 10 HG11 ILE 10 18.659 14.938 3.554 68 HG21 ILE 10 HG21 ILE 10 21.027 14.186 3.513 69 HG22 ILE 10 HG22 ILE 10 20.571 12.554 4.010 70 HG23 ILE 10 HG23 ILE 10 21.774 13.453 4.936 71 HD11 ILE 10 HD11 ILE 10 16.895 13.355 3.328 72 HD12 ILE 10 HD12 ILE 10 17.348 12.533 4.817 73 HD13 ILE 10 HD13 ILE 10 18.406 12.452 3.409 74 H ARG 11 HN ARG 11 20.701 11.083 7.117 75 HA ARG 11 HA ARG 11 22.430 12.015 9.176 76 HB2 ARG 11 HB2 ARG 11 21.531 9.549 8.522 77 HB3 ARG 11 HB1 ARG 11 23.062 9.471 7.672 78 HG2 ARG 11 HG2 ARG 11 22.684 9.934 10.655 79 HG3 ARG 11 HG1 ARG 11 23.199 8.430 9.890 80 HD2 ARG 11 HD2 ARG 11 25.258 9.591 9.088 81 HD3 ARG 11 HD1 ARG 11 24.745 11.052 9.944 82 HE ARG 11 HE ARG 11 25.041 8.565 11.475 83 HH11 ARG 11 HH11 ARG 11 26.269 11.790 10.828 84 HH12 ARG 11 HH12 ARG 11 27.395 11.735 12.145 85 HH21 ARG 11 HH21 ARG 11 26.501 8.532 13.178 86 HH22 ARG 11 HH22 ARG 11 27.526 9.899 13.471 87 H LYS 12 HN LYS 12 22.995 11.100 5.740 88 HA LYS 12 HA LYS 12 25.269 12.955 5.553 89 HB2 LYS 12 HB2 LYS 12 25.431 9.976 4.984 90 HB3 LYS 12 HB1 LYS 12 26.529 11.105 4.202 91 HG2 LYS 12 HG2 LYS 12 27.402 11.794 6.387 92 HG3 LYS 12 HG1 LYS 12 26.273 10.702 7.198 93 HD2 LYS 12 HD2 LYS 12 27.376 8.755 6.295 94 HD3 LYS 12 HD1 LYS 12 28.347 9.735 5.192 95 HE2 LYS 12 HE2 LYS 12 29.670 8.939 7.121 96 HE3 LYS 12 HE1 LYS 12 29.571 10.698 7.073 97 HZ1 LYS 12 HZ1 LYS 12 27.816 10.578 8.752 98 HZ2 LYS 12 HZ2 LYS 12 29.264 9.906 9.296 99 HZ3 LYS 12 HZ3 LYS 12 27.996 8.901 8.823 100 H LYS 13 HN LYS 13 25.946 13.302 3.252 101 HA LYS 13 HA LYS 13 23.740 13.037 1.329 102 HB2 LYS 13 HB2 LYS 13 23.195 15.070 2.655 103 HB3 LYS 13 HB1 LYS 13 24.794 15.730 2.320 104 HG2 LYS 13 HG2 LYS 13 24.226 15.844 -0.101 105 HG3 LYS 13 HG1 LYS 13 22.620 15.198 0.258 106 HD2 LYS 13 HD2 LYS 13 22.160 17.210 1.674 107 HD3 LYS 13 HD1 LYS 13 23.751 17.851 1.251 108 HE2 LYS 13 HE2 LYS 13 23.065 17.889 -1.146 109 HE3 LYS 13 HE1 LYS 13 21.464 17.311 -0.685 110 HZ1 LYS 13 HZ1 LYS 13 21.159 19.323 0.607 111 HZ2 LYS 13 HZ2 LYS 13 21.511 19.698 -1.003 112 HZ3 LYS 13 HZ3 LYS 13 22.701 19.865 0.181 113 H ARG 14 HN ARG 14 24.567 12.667 -0.639 114 HA ARG 14 HA ARG 14 27.032 13.871 -1.598 115 HB2 ARG 14 HB2 ARG 14 28.228 11.786 -2.016 116 HB3 ARG 14 HB1 ARG 14 27.806 11.843 -0.308 117 HG2 ARG 14 HG2 ARG 14 25.820 10.364 -0.828 118 HG3 ARG 14 HG1 ARG 14 26.455 10.195 -2.470 119 HD2 ARG 14 HD2 ARG 14 27.847 9.373 0.100 120 HD3 ARG 14 HD1 ARG 14 27.081 8.284 -1.065 121 HE ARG 14 HE ARG 14 29.400 9.978 -1.802 122 HH11 ARG 14 HH11 ARG 14 27.890 6.813 -1.708 123 HH12 ARG 14 HH12 ARG 14 29.233 6.028 -2.476 124 HH21 ARG 14 HH21 ARG 14 31.151 8.941 -2.789 125 HH22 ARG 14 HH22 ARG 14 31.076 7.228 -3.081 126 H VAL 15 HN VAL 15 27.453 12.995 -3.925 127 HA VAL 15 HA VAL 15 24.918 12.224 -5.253 128 HB VAL 15 HB VAL 15 25.616 14.518 -5.899 129 HG11 VAL 15 HG11 VAL 15 27.655 14.934 -7.236 130 HG12 VAL 15 HG12 VAL 15 28.141 13.251 -7.028 131 HG13 VAL 15 HG13 VAL 15 28.059 14.322 -5.629 132 HG21 VAL 15 HG21 VAL 15 24.346 13.175 -7.518 133 HG22 VAL 15 HG22 VAL 15 25.843 12.518 -8.182 134 HG23 VAL 15 HG23 VAL 15 25.481 14.236 -8.361 135 H ARG 16 HN ARG 16 25.028 10.592 -6.773 136 HA ARG 16 HA ARG 16 27.504 9.161 -7.309 137 HB2 ARG 16 HB2 ARG 16 26.643 8.308 -5.081 138 HB3 ARG 16 HB1 ARG 16 25.166 7.808 -5.885 139 HG2 ARG 16 HG2 ARG 16 26.371 5.821 -5.759 140 HG3 ARG 16 HG1 ARG 16 26.726 6.358 -7.402 141 HD2 ARG 16 HD2 ARG 16 28.541 6.802 -4.996 142 HD3 ARG 16 HD1 ARG 16 28.730 5.494 -6.156 143 HE ARG 16 HE ARG 16 29.271 7.131 -7.856 144 HH11 ARG 16 HH11 ARG 16 29.225 8.448 -4.618 145 HH12 ARG 16 HH12 ARG 16 30.342 9.714 -4.987 146 HH21 ARG 16 HH21 ARG 16 30.751 8.803 -8.306 147 HH22 ARG 16 HH22 ARG 16 31.229 9.896 -7.046 148 H LYS 17 HN LYS 17 27.411 8.680 -9.413 149 HA LYS 17 HA LYS 17 26.735 8.152 -11.512 150 HB2 LYS 17 HB2 LYS 17 24.365 6.796 -10.149 151 HB3 LYS 17 HB1 LYS 17 24.950 6.479 -11.785 152 HG2 LYS 17 HG2 LYS 17 27.112 5.665 -10.785 153 HG3 LYS 17 HG1 LYS 17 26.404 5.884 -9.183 154 HD2 LYS 17 HD2 LYS 17 26.208 3.547 -9.768 155 HD3 LYS 17 HD1 LYS 17 24.588 4.251 -9.820 156 HE2 LYS 17 HE2 LYS 17 24.937 2.768 -11.745 157 HE3 LYS 17 HE1 LYS 17 24.771 4.435 -12.296 158 HZ1 LYS 17 HZ1 LYS 17 27.198 4.559 -12.455 159 HZ2 LYS 17 HZ2 LYS 17 26.563 3.348 -13.443 160 HZ3 LYS 17 HZ3 LYS 17 27.322 2.937 -11.990 161 H GLY 18 HN GLY 18 25.870 10.695 -10.369 162 HA2 GLY 18 HA2 GLY 18 24.829 12.531 -11.380 163 HA3 GLY 18 HA1 GLY 18 23.819 11.445 -12.319 164 H LYS 19 HN LYS 19 23.421 10.123 -9.437 165 HA LYS 19 HA LYS 19 21.001 11.701 -8.818 166 HB2 LYS 19 HB2 LYS 19 21.721 8.790 -8.240 167 HB3 LYS 19 HB1 LYS 19 20.249 9.580 -7.659 168 HG2 LYS 19 HG2 LYS 19 21.000 9.269 -10.582 169 HG3 LYS 19 HG1 LYS 19 19.919 8.179 -9.704 170 HD2 LYS 19 HD2 LYS 19 18.350 10.047 -9.309 171 HD3 LYS 19 HD1 LYS 19 19.435 11.162 -10.150 172 HE2 LYS 19 HE2 LYS 19 19.115 9.907 -12.246 173 HE3 LYS 19 HE1 LYS 19 18.091 8.738 -11.408 174 HZ1 LYS 19 HZ1 LYS 19 16.518 10.525 -10.955 175 HZ2 LYS 19 HZ2 LYS 19 16.788 10.336 -12.612 176 HZ3 LYS 19 HZ3 LYS 19 17.503 11.621 -11.786 177 H VAL 20 HN VAL 20 21.187 12.995 -7.096 178 HA VAL 20 HA VAL 20 23.246 12.788 -5.131 179 HB VAL 20 HB VAL 20 20.661 14.422 -4.999 180 HG11 VAL 20 HG11 VAL 20 21.719 14.249 -2.786 181 HG12 VAL 20 HG12 VAL 20 21.900 15.887 -3.411 182 HG13 VAL 20 HG13 VAL 20 23.269 14.772 -3.453 183 HG21 VAL 20 HG21 VAL 20 21.954 14.979 -7.029 184 HG22 VAL 20 HG22 VAL 20 23.398 15.265 -6.053 185 HG23 VAL 20 HG23 VAL 20 21.990 16.318 -5.878 186 H GLU 21 HN GLU 21 23.284 11.224 -3.685 187 HA GLU 21 HA GLU 21 20.845 9.904 -2.752 188 HB2 GLU 21 HB2 GLU 21 23.743 8.997 -2.575 189 HB3 GLU 21 HB1 GLU 21 22.355 8.088 -1.966 190 HG2 GLU 21 HG2 GLU 21 21.459 8.019 -4.313 191 HG3 GLU 21 HG1 GLU 21 22.957 8.768 -4.871 192 H TYR 22 HN TYR 22 20.447 9.588 -0.625 193 HA TYR 22 HA TYR 22 21.843 11.314 1.319 194 HB2 TYR 22 HB2 TYR 22 18.819 10.901 1.057 195 HB3 TYR 22 HB1 TYR 22 19.630 11.888 2.266 196 HD1 TYR 22 HD2 TYR 22 18.728 11.671 -1.335 197 HD2 TYR 22 HD1 TYR 22 20.390 14.137 1.732 198 HE1 TYR 22 HE2 TYR 22 18.566 13.628 -2.805 199 HE2 TYR 22 HE1 TYR 22 20.206 16.083 0.257 200 HH TYR 22 HH TYR 22 18.409 16.059 -2.622 201 H LEU 23 HN LEU 23 22.723 9.901 2.760 202 HA LEU 23 HA LEU 23 21.610 7.418 3.602 203 HB2 LEU 23 HB2 LEU 23 24.004 8.201 3.954 204 HB3 LEU 23 HB1 LEU 23 23.409 9.317 5.169 205 HG LEU 23 HG LEU 23 22.597 7.364 6.522 206 HD11 LEU 23 HD11 LEU 23 23.347 5.104 5.971 207 HD12 LEU 23 HD12 LEU 23 24.036 5.680 4.453 208 HD13 LEU 23 HD13 LEU 23 22.292 5.747 4.715 209 HD21 LEU 23 HD21 LEU 23 25.567 7.314 5.864 210 HD22 LEU 23 HD22 LEU 23 24.819 6.642 7.317 211 HD23 LEU 23 HD23 LEU 23 24.776 8.381 7.030 212 H VAL 24 HN VAL 24 19.506 7.470 4.336 213 HA VAL 24 HA VAL 24 18.470 9.827 5.689 214 HB VAL 24 HB VAL 24 16.911 7.273 5.113 215 HG11 VAL 24 HG11 VAL 24 15.974 10.154 5.438 216 HG12 VAL 24 HG12 VAL 24 15.801 8.865 6.630 217 HG13 VAL 24 HG13 VAL 24 14.941 8.762 5.093 218 HG21 VAL 24 HG21 VAL 24 17.302 9.592 3.193 219 HG22 VAL 24 HG22 VAL 24 16.196 8.233 2.967 220 HG23 VAL 24 HG23 VAL 24 17.938 7.955 3.000 221 H LYS 25 HN LYS 25 18.666 9.952 7.901 222 HA LYS 25 HA LYS 25 18.833 7.518 9.496 223 HB2 LYS 25 HB2 LYS 25 20.174 9.447 10.239 224 HB3 LYS 25 HB1 LYS 25 18.724 10.434 10.404 225 HG2 LYS 25 HG2 LYS 25 19.525 9.590 12.595 226 HG3 LYS 25 HG1 LYS 25 17.901 9.008 12.215 227 HD2 LYS 25 HD2 LYS 25 19.023 6.846 11.374 228 HD3 LYS 25 HD1 LYS 25 20.516 7.447 12.099 229 HE2 LYS 25 HE2 LYS 25 17.915 6.844 13.553 230 HE3 LYS 25 HE1 LYS 25 19.391 5.882 13.610 231 HZ1 LYS 25 HZ1 LYS 25 20.503 7.791 14.653 232 HZ2 LYS 25 HZ2 LYS 25 19.201 7.227 15.573 233 HZ3 LYS 25 HZ3 LYS 25 19.039 8.640 14.659 234 H TRP 26 HN TRP 26 17.060 6.439 9.855 235 HA TRP 26 HA TRP 26 14.397 7.600 9.793 236 HB2 TRP 26 HB2 TRP 26 15.269 4.729 10.394 237 HB3 TRP 26 HB1 TRP 26 13.647 5.267 9.941 238 HD1 TRP 26 HD1 TRP 26 16.961 4.208 8.458 239 HE1 TRP 26 HE1 TRP 26 16.836 4.264 5.891 240 HE3 TRP 26 HE3 TRP 26 12.497 6.631 7.905 241 HZ2 TRP 26 HZ2 TRP 26 15.098 5.217 3.894 242 HZ3 TRP 26 HZ3 TRP 26 11.673 7.077 5.632 243 HH2 TRP 26 HH2 TRP 26 12.945 6.385 3.663 244 H LYS 27 HN LYS 27 13.282 8.201 11.604 245 HA LYS 27 HA LYS 27 14.729 8.773 13.949 246 HB2 LYS 27 HB2 LYS 27 12.876 10.158 13.105 247 HB3 LYS 27 HB1 LYS 27 11.731 8.869 13.448 248 HG2 LYS 27 HG2 LYS 27 12.045 9.119 15.833 249 HG3 LYS 27 HG1 LYS 27 13.376 10.256 15.593 250 HD2 LYS 27 HD2 LYS 27 10.475 10.750 14.779 251 HD3 LYS 27 HD1 LYS 27 11.242 11.389 16.238 252 HE2 LYS 27 HE2 LYS 27 12.805 12.697 14.886 253 HE3 LYS 27 HE1 LYS 27 12.169 11.992 13.402 254 HZ1 LYS 27 HZ1 LYS 27 11.292 14.183 13.757 255 HZ2 LYS 27 HZ2 LYS 27 10.696 13.750 15.274 256 HZ3 LYS 27 HZ3 LYS 27 10.039 13.053 13.880 257 H GLY 28 HN GLY 28 12.281 6.286 13.280 258 HA2 GLY 28 HA2 GLY 28 12.295 5.289 16.031 259 HA3 GLY 28 HA1 GLY 28 11.258 4.760 14.722 260 H TRP 29 HN TRP 29 14.421 4.794 13.581 261 HA TRP 29 HA TRP 29 14.830 1.915 14.205 262 HB2 TRP 29 HB2 TRP 29 15.276 3.388 11.566 263 HB3 TRP 29 HB1 TRP 29 15.909 1.775 11.882 264 HD1 TRP 29 HD1 TRP 29 12.405 3.510 11.924 265 HE1 TRP 29 HE1 TRP 29 10.681 1.816 11.078 266 HE3 TRP 29 HE3 TRP 29 15.474 -0.516 11.158 267 HZ2 TRP 29 HZ2 TRP 29 10.607 -0.838 10.166 268 HZ3 TRP 29 HZ3 TRP 29 14.497 -2.591 10.270 269 HH2 TRP 29 HH2 TRP 29 12.105 -2.752 9.784 270 HA PRO 30 HA PRO 30 18.879 3.151 15.707 271 HB2 PRO 30 HB2 PRO 30 20.236 0.745 15.365 272 HB3 PRO 30 HB1 PRO 30 19.145 1.084 16.716 273 HG2 PRO 30 HG2 PRO 30 18.608 -0.417 14.171 274 HG3 PRO 30 HG1 PRO 30 18.103 -0.806 15.829 275 HD2 PRO 30 HD2 PRO 30 16.400 0.326 14.049 276 HD3 PRO 30 HD1 PRO 30 16.328 0.712 15.781 277 HA PRO 31 HA PRO 31 21.208 4.945 12.477 278 HB2 PRO 31 HB2 PRO 31 23.652 3.621 13.695 279 HB3 PRO 31 HB1 PRO 31 23.440 5.291 13.130 280 HG2 PRO 31 HG2 PRO 31 23.247 4.779 15.720 281 HG3 PRO 31 HG1 PRO 31 22.075 5.876 14.958 282 HD2 PRO 31 HD2 PRO 31 21.704 3.029 15.851 283 HD3 PRO 31 HD1 PRO 31 20.550 4.380 15.874 284 H LYS 32 HN LYS 32 21.988 1.455 12.795 285 HA LYS 32 HA LYS 32 23.527 1.341 10.381 286 HB2 LYS 32 HB2 LYS 32 23.606 -1.057 10.633 287 HB3 LYS 32 HB1 LYS 32 23.881 -0.296 12.193 288 HG2 LYS 32 HG2 LYS 32 21.662 -0.902 12.962 289 HG3 LYS 32 HG1 LYS 32 21.208 -1.471 11.349 290 HD2 LYS 32 HD2 LYS 32 22.979 -3.234 11.508 291 HD3 LYS 32 HD1 LYS 32 23.339 -2.703 13.155 292 HE2 LYS 32 HE2 LYS 32 21.113 -3.373 13.889 293 HE3 LYS 32 HE1 LYS 32 20.642 -3.767 12.233 294 HZ1 LYS 32 HZ1 LYS 32 22.339 -5.486 12.216 295 HZ2 LYS 32 HZ2 LYS 32 21.226 -5.744 13.463 296 HZ3 LYS 32 HZ3 LYS 32 22.760 -5.120 13.812 297 H TYR 33 HN TYR 33 20.128 1.311 10.912 298 HA TYR 33 HA TYR 33 19.476 0.061 8.345 299 HB2 TYR 33 HB2 TYR 33 17.739 1.277 10.529 300 HB3 TYR 33 HB1 TYR 33 17.087 0.631 9.023 301 HD1 TYR 33 HD1 TYR 33 17.238 -1.809 8.527 302 HD2 TYR 33 HD2 TYR 33 18.504 -0.225 12.290 303 HE1 TYR 33 HE1 TYR 33 17.141 -4.059 9.501 304 HE2 TYR 33 HE2 TYR 33 18.400 -2.485 13.263 305 HH TYR 33 HH TYR 33 17.238 -4.621 12.837 306 H SER 34 HN SER 34 20.694 3.007 9.098 307 HA SER 34 HA SER 34 19.109 4.808 7.595 308 HB2 SER 34 HB2 SER 34 21.158 6.232 7.530 309 HB3 SER 34 HB1 SER 34 20.851 5.610 9.151 310 HG SER 34 HG SER 34 22.463 3.955 7.674 311 H THR 35 HN THR 35 18.848 4.976 5.436 312 HA THR 35 HA THR 35 20.370 3.110 3.688 313 HB THR 35 HB THR 35 18.231 3.154 2.286 314 HG1 THR 35 HG1 THR 35 17.199 4.963 3.029 315 HG21 THR 35 HG21 THR 35 18.720 1.253 3.810 316 HG22 THR 35 HG22 THR 35 16.988 1.584 3.725 317 HG23 THR 35 HG23 THR 35 17.919 2.110 5.128 318 H TRP 36 HN TRP 36 21.547 3.969 2.049 319 HA TRP 36 HA TRP 36 21.538 6.772 1.358 320 HB2 TRP 36 HB2 TRP 36 22.934 4.405 0.028 321 HB3 TRP 36 HB1 TRP 36 23.190 6.079 -0.421 322 HD1 TRP 36 HD1 TRP 36 24.313 3.460 2.072 323 HE1 TRP 36 HE1 TRP 36 26.271 4.416 3.432 324 HE3 TRP 36 HE3 TRP 36 23.986 8.353 0.629 325 HZ2 TRP 36 HZ2 TRP 36 27.514 6.910 3.846 326 HZ3 TRP 36 HZ3 TRP 36 25.599 9.965 1.556 327 HH2 TRP 36 HH2 TRP 36 27.326 9.255 3.136 328 H GLU 37 HN GLU 37 19.247 6.885 0.702 329 HA GLU 37 HA GLU 37 18.633 5.707 -1.950 330 HB2 GLU 37 HB2 GLU 37 16.702 7.030 0.006 331 HB3 GLU 37 HB1 GLU 37 16.281 6.074 -1.414 332 HG2 GLU 37 HG2 GLU 37 17.444 5.113 1.219 333 HG3 GLU 37 HG1 GLU 37 15.860 4.749 0.544 334 HA PRO 38 HA PRO 38 19.426 9.724 -3.648 335 HB2 PRO 38 HB2 PRO 38 18.296 9.601 -6.096 336 HB3 PRO 38 HB1 PRO 38 19.624 8.521 -5.641 337 HG2 PRO 38 HG2 PRO 38 16.663 7.951 -5.685 338 HG3 PRO 38 HG1 PRO 38 17.994 6.953 -6.304 339 HD2 PRO 38 HD2 PRO 38 16.816 6.544 -3.839 340 HD3 PRO 38 HD1 PRO 38 18.498 6.094 -4.202 341 H GLU 39 HN GLU 39 18.379 11.602 -4.804 342 HA GLU 39 HA GLU 39 16.580 13.014 -3.309 343 HB2 GLU 39 HB2 GLU 39 16.411 14.522 -5.331 344 HB3 GLU 39 HB1 GLU 39 18.058 14.077 -4.887 345 HG2 GLU 39 HG2 GLU 39 17.870 12.214 -6.655 346 HG3 GLU 39 HG1 GLU 39 16.401 13.019 -7.199 347 H GLU 40 HN GLU 40 15.808 10.661 -5.695 348 HA GLU 40 HA GLU 40 13.197 11.146 -6.454 349 HB2 GLU 40 HB2 GLU 40 14.755 9.430 -7.368 350 HB3 GLU 40 HB1 GLU 40 14.569 8.489 -5.899 351 HG2 GLU 40 HG2 GLU 40 13.250 7.542 -7.707 352 HG3 GLU 40 HG1 GLU 40 12.206 8.116 -6.404 353 H HIS 41 HN HIS 41 14.348 9.992 -3.329 354 HA HIS 41 HA HIS 41 11.856 8.654 -2.628 355 HB2 HIS 41 HB2 HIS 41 13.032 7.607 -0.864 356 HB3 HIS 41 HB1 HIS 41 14.266 7.782 -2.100 357 HD1 HIS 41 HD1 HIS 41 16.354 9.083 -1.429 358 HD2 HIS 41 HD2 HIS 41 13.324 9.442 1.335 359 HE1 HIS 41 HE1 HIS 41 17.360 10.332 0.481 360 HE2 HIS 41 HE2 HIS 41 15.532 10.428 2.199 361 H ILE 42 HN ILE 42 12.890 11.842 -2.411 362 HA ILE 42 HA ILE 42 12.155 12.428 0.342 363 HB ILE 42 HB ILE 42 12.900 14.317 -1.954 364 HG12 ILE 42 HG12 ILE 42 14.739 12.694 -1.336 365 HG13 ILE 42 HG11 ILE 42 15.171 14.379 -1.079 366 HG21 ILE 42 HG21 ILE 42 13.383 16.011 -0.203 367 HG22 ILE 42 HG22 ILE 42 12.754 14.913 1.027 368 HG23 ILE 42 HG23 ILE 42 11.682 15.541 -0.225 369 HD11 ILE 42 HD11 ILE 42 15.977 12.924 0.706 370 HD12 ILE 42 HD12 ILE 42 14.321 12.452 1.084 371 HD13 ILE 42 HD13 ILE 42 14.839 14.124 1.321 372 H LEU 43 HN LEU 43 10.103 12.839 1.045 373 HA LEU 43 HA LEU 43 8.031 13.594 -0.929 374 HB2 LEU 43 HB2 LEU 43 7.818 12.638 1.950 375 HB3 LEU 43 HB1 LEU 43 6.442 13.211 1.021 376 HG LEU 43 HG LEU 43 7.072 11.354 -0.688 377 HD11 LEU 43 HD11 LEU 43 8.560 10.255 1.677 378 HD12 LEU 43 HD12 LEU 43 9.257 10.796 0.152 379 HD13 LEU 43 HD13 LEU 43 8.195 9.394 0.179 380 HD21 LEU 43 HD21 LEU 43 5.960 10.570 2.024 381 HD22 LEU 43 HD22 LEU 43 5.737 9.678 0.518 382 HD23 LEU 43 HD23 LEU 43 5.040 11.285 0.695 383 H ASP 44 HN ASP 44 10.009 15.114 1.415 384 HA ASP 44 HA ASP 44 8.519 17.611 1.191 385 HB2 ASP 44 HB2 ASP 44 7.526 16.437 3.156 386 HB3 ASP 44 HB1 ASP 44 9.117 16.326 3.892 387 HA PRO 45 HA PRO 45 12.759 18.848 0.686 388 HB2 PRO 45 HB2 PRO 45 12.507 21.583 0.820 389 HB3 PRO 45 HB1 PRO 45 11.949 20.624 -0.561 390 HG2 PRO 45 HG2 PRO 45 10.354 21.622 1.811 391 HG3 PRO 45 HG1 PRO 45 9.963 21.750 0.081 392 HD2 PRO 45 HD2 PRO 45 8.864 19.832 1.604 393 HD3 PRO 45 HD1 PRO 45 9.348 19.482 -0.073 394 H ARG 46 HN ARG 46 11.023 19.844 3.619 395 HA ARG 46 HA ARG 46 13.146 21.084 5.034 396 HB2 ARG 46 HB2 ARG 46 10.790 19.513 6.145 397 HB3 ARG 46 HB1 ARG 46 11.849 20.534 7.112 398 HG2 ARG 46 HG2 ARG 46 10.205 21.630 4.810 399 HG3 ARG 46 HG1 ARG 46 9.555 21.471 6.443 400 HD2 ARG 46 HD2 ARG 46 10.285 23.717 6.257 401 HD3 ARG 46 HD1 ARG 46 11.513 22.909 7.230 402 HE ARG 46 HE ARG 46 12.267 22.894 4.490 403 HH11 ARG 46 HH11 ARG 46 12.049 25.070 7.236 404 HH12 ARG 46 HH12 ARG 46 13.179 26.204 6.569 405 HH21 ARG 46 HH21 ARG 46 13.785 24.403 3.667 406 HH22 ARG 46 HH22 ARG 46 14.169 25.818 4.591 407 H LEU 47 HN LEU 47 12.597 17.730 4.292 408 HA LEU 47 HA LEU 47 14.017 16.458 6.355 409 HB2 LEU 47 HB2 LEU 47 12.588 15.301 4.715 410 HB3 LEU 47 HB1 LEU 47 13.727 15.659 3.434 411 HG LEU 47 HG LEU 47 15.332 14.096 4.267 412 HD11 LEU 47 HD11 LEU 47 15.307 14.558 6.634 413 HD12 LEU 47 HD12 LEU 47 15.060 12.832 6.388 414 HD13 LEU 47 HD13 LEU 47 13.692 13.867 6.803 415 HD21 LEU 47 HD21 LEU 47 12.579 12.851 4.567 416 HD22 LEU 47 HD22 LEU 47 14.087 11.970 4.294 417 HD23 LEU 47 HD23 LEU 47 13.472 13.062 3.056 418 H VAL 48 HN VAL 48 15.157 17.733 3.255 419 HA VAL 48 HA VAL 48 17.961 17.163 3.826 420 HB VAL 48 HB VAL 48 16.668 18.599 1.460 421 HG11 VAL 48 HG11 VAL 48 19.508 17.529 1.745 422 HG12 VAL 48 HG12 VAL 48 19.039 19.229 1.677 423 HG13 VAL 48 HG13 VAL 48 18.807 18.196 0.268 424 HG21 VAL 48 HG21 VAL 48 17.565 15.694 1.706 425 HG22 VAL 48 HG22 VAL 48 16.958 16.458 0.236 426 HG23 VAL 48 HG23 VAL 48 15.894 16.261 1.630 427 H MET 49 HN MET 49 15.856 19.959 3.370 428 HA MET 49 HA MET 49 17.772 21.985 3.546 429 HB2 MET 49 HB2 MET 49 14.761 22.062 4.002 430 HB3 MET 49 HB1 MET 49 15.780 23.505 3.983 431 HG2 MET 49 HG2 MET 49 15.389 21.576 1.684 432 HG3 MET 49 HG1 MET 49 14.697 23.192 1.833 433 HE1 MET 49 HE1 MET 49 15.659 23.839 -0.595 434 HE2 MET 49 HE2 MET 49 16.343 22.219 -0.753 435 HE3 MET 49 HE3 MET 49 17.350 23.636 -1.046 436 H ALA 50 HN ALA 50 15.477 20.858 6.106 437 HA ALA 50 HA ALA 50 16.485 22.580 8.119 438 HB1 ALA 50 HB1 ALA 50 15.213 21.271 9.731 439 HB2 ALA 50 HB2 ALA 50 14.986 19.990 8.536 440 HB3 ALA 50 HB3 ALA 50 14.247 21.569 8.280 441 H TYR 51 HN TYR 51 17.477 19.330 7.069 442 HA TYR 51 HA TYR 51 19.243 18.634 9.142 443 HB2 TYR 51 HB2 TYR 51 18.983 16.886 7.609 444 HB3 TYR 51 HB1 TYR 51 19.053 17.949 6.212 445 HD1 TYR 51 HD2 TYR 51 21.402 16.916 8.998 446 HD2 TYR 51 HD1 TYR 51 20.886 17.566 4.803 447 HE1 TYR 51 HE2 TYR 51 23.737 16.272 8.601 448 HE2 TYR 51 HE1 TYR 51 23.228 16.919 4.411 449 HH TYR 51 HH TYR 51 25.355 16.857 5.705 450 H GLU 52 HN GLU 52 19.995 20.348 6.096 451 HA GLU 52 HA GLU 52 22.647 21.134 6.872 452 HB2 GLU 52 HB2 GLU 52 20.841 22.212 4.666 453 HB3 GLU 52 HB1 GLU 52 22.570 22.500 4.799 454 HG2 GLU 52 HG2 GLU 52 23.031 20.137 4.390 455 HG3 GLU 52 HG1 GLU 52 21.301 19.775 4.359 456 H GLU 53 HN GLU 53 19.564 22.295 7.641 457 HA GLU 53 HA GLU 53 18.535 24.161 8.300 458 HB2 GLU 53 HB2 GLU 53 21.327 25.070 9.090 459 HB3 GLU 53 HB1 GLU 53 19.833 25.855 9.603 460 HG2 GLU 53 HG2 GLU 53 19.160 23.876 10.846 461 HG3 GLU 53 HG1 GLU 53 20.528 22.959 10.218 462 H LYS 54 HN LYS 54 19.632 23.783 5.632 463 HA LYS 54 HA LYS 54 20.395 26.199 4.381 464 HB2 LYS 54 HB2 LYS 54 20.793 23.827 3.523 465 HB3 LYS 54 HB1 LYS 54 19.084 23.723 3.148 466 HG2 LYS 54 HG2 LYS 54 20.258 24.193 1.112 467 HG3 LYS 54 HG1 LYS 54 19.367 25.649 1.562 468 HD2 LYS 54 HD2 LYS 54 21.605 26.252 0.780 469 HD3 LYS 54 HD1 LYS 54 21.454 26.628 2.499 470 HE2 LYS 54 HE2 LYS 54 23.644 25.589 1.947 471 HE3 LYS 54 HE1 LYS 54 22.717 24.615 3.085 472 HZ1 LYS 54 HZ1 LYS 54 22.888 24.105 0.163 473 HZ2 LYS 54 HZ2 LYS 54 22.093 23.134 1.300 474 HZ3 LYS 54 HZ3 LYS 54 23.776 23.282 1.342 475 H GLU 55 HN GLU 55 19.016 27.895 4.502 476 HA GLU 55 HA GLU 55 16.351 27.632 3.297 477 HB2 GLU 55 HB2 GLU 55 16.112 27.734 5.814 478 HB3 GLU 55 HB1 GLU 55 16.910 29.301 5.799 479 HG2 GLU 55 HG2 GLU 55 14.547 29.661 5.976 480 HG3 GLU 55 HG1 GLU 55 15.060 30.194 4.381 481 H GLU 56 HN GLU 56 17.689 28.296 1.474 482 HA GLU 56 HA GLU 56 18.390 31.167 1.375 483 HB2 GLU 56 HB2 GLU 56 18.903 29.021 -0.742 484 HB3 GLU 56 HB1 GLU 56 19.533 30.671 -0.735 485 HG2 GLU 56 HG2 GLU 56 20.779 30.122 1.364 486 HG3 GLU 56 HG1 GLU 56 20.229 28.456 1.216 487 H1 ALA 1 HT1 ALA 1 2.310 21.033 17.693 488 H2 ALA 1 HT2 ALA 1 2.988 19.522 18.034 489 H3 ALA 1 HT3 ALA 1 1.380 19.840 18.446 490 HA ALA 1 HA ALA 1 1.518 18.453 16.498 491 HB1 ALA 1 HB1 ALA 1 -0.397 19.983 16.734 492 HB2 ALA 1 HB2 ALA 1 0.037 19.783 15.037 493 HB3 ALA 1 HB3 ALA 1 0.499 21.254 15.897 494 H ARG 2 HN ARG 2 3.062 17.806 15.143 495 HA ARG 2 HA ARG 2 4.619 19.728 13.521 496 HB2 ARG 2 HB2 ARG 2 5.678 17.261 14.993 497 HB3 ARG 2 HB1 ARG 2 6.599 18.156 13.785 498 HG2 ARG 2 HG2 ARG 2 5.615 19.263 16.440 499 HG3 ARG 2 HG1 ARG 2 7.265 18.730 16.087 500 HD2 ARG 2 HD2 ARG 2 7.500 20.501 14.398 501 HD3 ARG 2 HD1 ARG 2 5.829 21.013 14.671 502 HE ARG 2 HE ARG 2 7.123 21.095 17.133 503 HH11 ARG 2 HH11 ARG 2 7.414 22.804 14.065 504 HH12 ARG 2 HH12 ARG 2 8.003 24.252 14.813 505 HH21 ARG 2 HH21 ARG 2 7.885 23.004 18.065 506 HH22 ARG 2 HH22 ARG 2 8.284 24.364 17.066 507 H THR 3 HN THR 3 5.148 19.027 11.481 508 HA THR 3 HA THR 3 3.735 16.648 10.437 509 HB THR 3 HB THR 3 4.915 19.031 8.919 510 HG1 THR 3 HG1 THR 3 2.171 18.475 9.439 511 HG21 THR 3 HG21 THR 3 3.052 16.816 7.964 512 HG22 THR 3 HG22 THR 3 4.754 16.976 7.523 513 HG23 THR 3 HG23 THR 3 3.590 18.199 7.007 514 H LYS 4 HN LYS 4 5.009 14.900 10.295 515 HA LYS 4 HA LYS 4 7.848 14.886 10.190 516 HB2 LYS 4 HB2 LYS 4 5.868 12.679 9.458 517 HB3 LYS 4 HB1 LYS 4 7.603 12.452 9.682 518 HG2 LYS 4 HG2 LYS 4 7.383 13.129 12.057 519 HG3 LYS 4 HG1 LYS 4 5.640 13.339 11.837 520 HD2 LYS 4 HD2 LYS 4 5.445 10.926 11.261 521 HD3 LYS 4 HD1 LYS 4 7.181 10.727 11.511 522 HE2 LYS 4 HE2 LYS 4 5.946 9.944 13.471 523 HE3 LYS 4 HE1 LYS 4 6.890 11.376 13.886 524 HZ1 LYS 4 HZ1 LYS 4 4.903 12.708 13.731 525 HZ2 LYS 4 HZ2 LYS 4 4.638 11.425 14.796 526 HZ3 LYS 4 HZ3 LYS 4 3.991 11.375 13.236 527 H GLN 5 HN GLN 5 9.220 14.783 8.465 528 HA GLN 5 HA GLN 5 8.397 15.951 6.037 529 HB2 GLN 5 HB2 GLN 5 11.027 14.571 6.625 530 HB3 GLN 5 HB1 GLN 5 10.710 15.669 5.287 531 HG2 GLN 5 HG2 GLN 5 11.704 17.181 6.677 532 HG3 GLN 5 HG1 GLN 5 10.081 17.327 7.334 533 HE21 GLN 5 HE21 GLN 5 12.710 17.822 8.575 534 HE22 GLN 5 HE22 GLN 5 12.769 16.835 9.987 535 H THR 6 HN THR 6 9.298 12.658 6.928 536 HA THR 6 HA THR 6 8.725 10.630 6.188 537 HB THR 6 HB THR 6 6.807 11.945 4.209 538 HG1 THR 6 HG1 THR 6 6.243 12.697 6.209 539 HG21 THR 6 HG21 THR 6 7.159 9.519 3.806 540 HG22 THR 6 HG22 THR 6 5.535 9.846 4.413 541 HG23 THR 6 HG23 THR 6 6.759 9.179 5.494 542 H ALA 7 HN ALA 7 9.506 9.139 4.740 543 HA ALA 7 HA ALA 7 10.634 9.999 2.181 544 HB1 ALA 7 HB1 ALA 7 12.399 10.496 3.763 545 HB2 ALA 7 HB2 ALA 7 12.864 9.120 2.768 546 HB3 ALA 7 HB3 ALA 7 12.321 8.865 4.425 547 H ARG 8 HN ARG 8 10.420 8.477 0.702 548 HA ARG 8 HA ARG 8 9.739 5.743 1.229 549 HB2 ARG 8 HB2 ARG 8 10.722 7.147 -1.297 550 HB3 ARG 8 HB1 ARG 8 10.207 5.463 -1.251 551 HG2 ARG 8 HG2 ARG 8 7.932 6.115 -0.693 552 HG3 ARG 8 HG1 ARG 8 8.408 7.805 -0.550 553 HD2 ARG 8 HD2 ARG 8 7.251 7.362 -2.682 554 HD3 ARG 8 HD1 ARG 8 8.911 7.899 -2.945 555 HE ARG 8 HE ARG 8 9.195 5.233 -3.022 556 HH11 ARG 8 HH11 ARG 8 6.852 7.290 -4.655 557 HH12 ARG 8 HH12 ARG 8 6.773 6.266 -6.049 558 HH21 ARG 8 HH21 ARG 8 9.066 3.929 -4.874 559 HH22 ARG 8 HH22 ARG 8 8.012 4.383 -6.177 560 H M3L 9 HN M3L 9 11.116 3.903 0.607 561 HA M3L 9 HA M3L 9 14.029 4.428 0.789 562 HB2 M3L 9 HB2 M3L 9 12.605 1.741 1.106 563 HB3 M3L 9 HB1 M3L 9 14.302 2.101 1.444 564 HG2 M3L 9 HG2 M3L 9 13.478 3.748 3.208 565 HG3 M3L 9 HG1 M3L 9 11.863 3.076 2.971 566 HD2 M3L 9 HD2 M3L 9 12.642 0.873 3.750 567 HD3 M3L 9 HD1 M3L 9 14.299 1.481 3.888 568 HE2 M3L 9 HE2 M3L 9 13.405 3.214 5.533 569 HE3 M3L 9 HE1 M3L 9 11.874 2.344 5.511 570 HM11 M3L 9 HH33 M3L 9 15.370 0.522 7.231 571 HM12 M3L 9 HH31 M3L 9 15.486 2.119 6.486 572 HM13 M3L 9 HH32 M3L 9 15.254 0.687 5.480 573 HM21 M3L 9 HH11 M3L 9 13.175 -0.706 7.263 574 HM22 M3L 9 HH12 M3L 9 13.043 -0.539 5.511 575 HM23 M3L 9 HH13 M3L 9 11.735 0.026 6.551 576 HM31 M3L 9 HH21 M3L 9 12.081 2.079 8.004 577 HM32 M3L 9 HH22 M3L 9 13.621 2.939 7.956 578 HM33 M3L 9 HH23 M3L 9 13.525 1.342 8.698 579 H SER 10 HN SER 10 12.043 1.904 -0.742 580 HA SER 10 HA SER 10 12.656 2.742 -3.431 581 HB2 SER 10 HB2 SER 10 13.819 0.606 -4.049 582 HB3 SER 10 HB1 SER 10 14.755 1.539 -2.884 583 HG SER 10 HG SER 10 13.177 -0.767 -2.406 584 H THR 11 HN THR 11 11.442 1.463 -4.996 585 HA THR 11 HA THR 11 9.014 0.253 -4.007 586 HB THR 11 HB THR 11 10.078 0.439 -6.866 587 HG1 THR 11 HG1 THR 11 7.991 2.052 -6.011 588 HG21 THR 11 HG21 THR 11 7.714 0.095 -7.543 589 HG22 THR 11 HG22 THR 11 7.250 -0.101 -5.852 590 HG23 THR 11 HG23 THR 11 8.299 -1.294 -6.620 591 H GLY 12 HN GLY 12 9.471 -1.621 -2.927 592 HA2 GLY 12 HA2 GLY 12 11.211 -3.707 -3.711 593 HA3 GLY 12 HA1 GLY 12 9.856 -3.850 -2.604 594 H GLY 13 HN GLY 13 10.915 -4.232 -5.890 595 HA2 GLY 13 HA2 GLY 13 8.673 -6.004 -6.504 596 HA3 GLY 13 HA1 GLY 13 8.778 -4.542 -7.484 597 H LYS 14 HN LYS 14 10.947 -4.135 -8.506 598 HA LYS 14 HA LYS 14 12.224 -6.641 -9.437 599 HB2 LYS 14 HB2 LYS 14 11.031 -5.324 -11.192 600 HB3 LYS 14 HB1 LYS 14 12.033 -3.924 -10.828 601 HG2 LYS 14 HG2 LYS 14 14.012 -5.027 -11.684 602 HG3 LYS 14 HG1 LYS 14 13.158 -6.565 -11.824 603 HD2 LYS 14 HD2 LYS 14 13.399 -5.540 -14.041 604 HD3 LYS 14 HD1 LYS 14 11.697 -5.607 -13.585 605 HE2 LYS 14 HE2 LYS 14 12.136 -3.468 -14.630 606 HE3 LYS 14 HE1 LYS 14 11.842 -3.183 -12.914 607 HZ1 LYS 14 HZ1 LYS 14 14.486 -3.272 -14.262 608 HZ2 LYS 14 HZ2 LYS 14 14.259 -3.081 -12.598 609 HZ3 LYS 14 HZ3 LYS 14 13.709 -1.895 -13.664 610 H ALA 15 HN ALA 15 14.432 -6.828 -9.319 611 HA ALA 15 HA ALA 15 15.826 -5.149 -7.413 612 HB1 ALA 15 HB1 ALA 15 16.037 -7.608 -7.301 613 HB2 ALA 15 HB2 ALA 15 17.610 -6.851 -7.558 614 HB3 ALA 15 HB3 ALA 15 16.774 -7.631 -8.906
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