NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
578277 | 2m9h | 19294 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1HT GLY 1 -34.153 -0.037 6.268 2 H2 GLY 1 2HT GLY 1 -34.622 -0.136 7.890 3 H3 GLY 1 3HT GLY 1 -33.809 -1.430 7.165 4 HA2 GLY 1 1HA GLY 1 -32.405 1.097 7.049 5 HA3 GLY 1 2HA GLY 1 -32.626 0.452 8.668 6 HA PRO 2 HA PRO 2 -29.189 -1.790 6.148 7 HB2 PRO 2 2HB PRO 2 -26.996 -0.326 6.779 8 HB3 PRO 2 1HB PRO 2 -27.977 -0.009 5.344 9 HG2 PRO 2 2HG PRO 2 -28.004 1.371 8.001 10 HG3 PRO 2 1HG PRO 2 -28.074 2.075 6.375 11 HD2 PRO 2 2HD PRO 2 -30.277 1.744 7.920 12 HD3 PRO 2 1HD PRO 2 -30.327 1.642 6.148 13 H GLY 3 H GLY 3 -27.659 -3.180 7.116 14 HA2 GLY 3 2HA GLY 3 -26.428 -3.100 9.520 15 HA3 GLY 3 1HA GLY 3 -28.068 -3.556 9.952 16 H SER 4 H SER 4 -27.442 -5.586 10.711 17 HA SER 4 HA SER 4 -26.036 -7.411 8.968 18 HB2 SER 4 2HB SER 4 -25.550 -7.617 11.301 19 HB3 SER 4 1HB SER 4 -27.261 -7.723 11.712 20 HG SER 4 HG SER 4 -25.540 -9.673 10.862 21 H LEU 5 H LEU 5 -29.242 -7.432 10.534 22 HA LEU 5 HA LEU 5 -31.234 -8.329 9.917 23 HB2 LEU 5 2HB LEU 5 -29.964 -8.077 7.199 24 HB3 LEU 5 1HB LEU 5 -31.605 -8.645 7.428 25 HG LEU 5 HG LEU 5 -30.910 -6.050 8.683 26 HD11 LEU 5 1HD1 LEU 5 -30.746 -6.575 5.781 27 HD12 LEU 5 2HD1 LEU 5 -29.962 -5.335 6.760 28 HD13 LEU 5 3HD1 LEU 5 -31.647 -5.143 6.277 29 HD21 LEU 5 3HD2 LEU 5 -33.211 -5.557 7.698 30 HD22 LEU 5 1HD2 LEU 5 -33.126 -6.752 8.992 31 HD23 LEU 5 2HD2 LEU 5 -33.285 -7.277 7.315 32 H SER 6 H SER 6 -29.314 -9.949 7.415 33 HA SER 6 HA SER 6 -28.934 -12.146 6.973 34 HB2 SER 6 2HB SER 6 -28.091 -13.463 8.711 35 HB3 SER 6 1HB SER 6 -27.818 -11.826 9.302 36 HG SER 6 HG SER 6 -29.623 -12.022 10.608 37 H ASN 7 H ASN 7 -29.820 -14.500 7.722 38 HA ASN 7 HA ASN 7 -32.752 -14.248 7.613 39 HB2 ASN 7 2HB ASN 7 -30.960 -16.455 6.576 40 HB3 ASN 7 1HB ASN 7 -32.719 -16.471 6.510 41 HD21 ASN 7 1HD2 ASN 7 -33.604 -14.325 5.540 42 HD22 ASN 7 2HD2 ASN 7 -32.860 -13.844 4.055 43 H PHE 8 H PHE 8 -33.681 -16.616 8.264 44 HA PHE 8 HA PHE 8 -32.804 -16.966 11.041 45 HB2 PHE 8 2HB PHE 8 -35.030 -18.156 11.276 46 HB3 PHE 8 1HB PHE 8 -35.121 -16.436 10.916 47 HD1 PHE 8 1HD PHE 8 -35.397 -19.809 9.431 48 HD2 PHE 8 2HD PHE 8 -36.202 -15.654 8.983 49 HE1 PHE 8 1HE PHE 8 -36.817 -20.298 7.483 50 HE2 PHE 8 2HE PHE 8 -37.624 -16.137 7.034 51 HZ PHE 8 HZ PHE 8 -37.932 -18.460 6.281 52 H ALA 9 H ALA 9 -31.375 -18.149 8.798 53 HA ALA 9 HA ALA 9 -31.975 -21.003 9.072 54 HB1 ALA 9 1HB ALA 9 -31.436 -19.671 6.846 55 HB2 ALA 9 2HB ALA 9 -30.941 -21.348 7.071 56 HB3 ALA 9 3HB ALA 9 -29.778 -20.046 7.320 57 H ASN 10 H ASN 10 -30.168 -22.506 9.409 58 HA ASN 10 HA ASN 10 -28.585 -21.695 11.653 59 HB2 ASN 10 2HB ASN 10 -29.635 -24.031 11.092 60 HB3 ASN 10 1HB ASN 10 -28.141 -24.276 10.193 61 HD21 ASN 10 1HD2 ASN 10 -29.461 -23.524 13.363 62 HD22 ASN 10 2HD2 ASN 10 -28.125 -24.136 14.270 63 H VAL 11 H VAL 11 -26.434 -21.275 11.772 64 HA VAL 11 HA VAL 11 -24.921 -21.310 9.241 65 HB VAL 11 HB VAL 11 -25.492 -19.009 9.882 66 HG11 VAL 11 1HG1 VAL 11 -25.481 -19.625 12.386 67 HG12 VAL 11 2HG1 VAL 11 -24.924 -18.021 11.906 68 HG13 VAL 11 3HG1 VAL 11 -23.752 -19.278 12.303 69 HG21 VAL 11 3HG2 VAL 11 -23.491 -19.185 8.663 70 HG22 VAL 11 1HG2 VAL 11 -22.609 -19.836 10.045 71 HG23 VAL 11 2HG2 VAL 11 -23.102 -18.142 10.031 72 H GLY 12 H GLY 12 -24.716 -21.453 12.780 73 HA2 GLY 12 2HA GLY 12 -23.300 -22.650 14.141 74 HA3 GLY 12 1HA GLY 12 -22.788 -23.541 12.717 75 H VAL 13 H VAL 13 -20.702 -23.376 12.282 76 HA VAL 13 HA VAL 13 -19.341 -20.829 12.843 77 HB VAL 13 HB VAL 13 -18.748 -22.425 14.607 78 HG11 VAL 13 1HG1 VAL 13 -17.286 -24.392 13.893 79 HG12 VAL 13 2HG1 VAL 13 -17.968 -24.157 12.282 80 HG13 VAL 13 3HG1 VAL 13 -19.026 -24.541 13.642 81 HG21 VAL 13 3HG2 VAL 13 -16.275 -22.358 14.296 82 HG22 VAL 13 1HG2 VAL 13 -17.079 -20.814 14.012 83 HG23 VAL 13 2HG2 VAL 13 -16.547 -21.795 12.646 84 H GLY 14 H GLY 14 -17.716 -20.232 11.415 85 HA2 GLY 14 2HA GLY 14 -17.957 -21.282 8.767 86 HA3 GLY 14 1HA GLY 14 -16.851 -20.020 9.288 87 H THR 15 H THR 15 -16.182 -22.035 7.442 88 HA THR 15 HA THR 15 -13.812 -23.055 8.697 89 HB THR 15 HB THR 15 -15.433 -24.781 9.354 90 HG1 THR 15 1HG THR 15 -13.645 -25.637 7.328 91 HG21 THR 15 3HG2 THR 15 -15.755 -25.779 6.602 92 HG22 THR 15 1HG2 THR 15 -16.737 -24.389 7.061 93 HG23 THR 15 2HG2 THR 15 -16.839 -25.885 7.989 94 H SER 16 H SER 16 -12.274 -22.727 7.245 95 HA SER 16 HA SER 16 -12.935 -23.059 4.392 96 HB2 SER 16 2HB SER 16 -10.894 -21.154 5.562 97 HB3 SER 16 1HB SER 16 -11.358 -21.288 3.867 98 HG SER 16 HG SER 16 -12.876 -20.315 6.042 99 H SER 17 H SER 17 -11.445 -24.079 3.071 100 HA SER 17 HA SER 17 -9.097 -25.251 4.400 101 HB2 SER 17 2HB SER 17 -9.510 -27.375 3.221 102 HB3 SER 17 1HB SER 17 -10.851 -26.962 4.289 103 HG SER 17 HG SER 17 -12.120 -26.803 2.617 104 H GLY 18 H GLY 18 -7.296 -24.702 3.377 105 HA2 GLY 18 2HA GLY 18 -6.533 -25.137 0.834 106 HA3 GLY 18 1HA GLY 18 -7.415 -23.625 0.687 107 H LYS 19 H LYS 19 -6.648 -21.779 1.894 108 HA LYS 19 HA LYS 19 -3.736 -21.859 2.211 109 HB2 LYS 19 2HB LYS 19 -3.878 -19.383 2.061 110 HB3 LYS 19 1HB LYS 19 -4.504 -20.204 0.637 111 HG2 LYS 19 2HG LYS 19 -6.397 -19.083 0.839 112 HG3 LYS 19 1HG LYS 19 -6.674 -19.849 2.404 113 HD2 LYS 19 2HD LYS 19 -6.076 -18.005 3.549 114 HD3 LYS 19 1HD LYS 19 -4.748 -17.633 2.449 115 HE2 LYS 19 2HE LYS 19 -7.657 -17.163 1.812 116 HE3 LYS 19 1HE LYS 19 -6.581 -15.935 2.479 117 HZ1 LYS 19 3HZ LYS 19 -6.596 -15.609 0.168 118 HZ2 LYS 19 1HZ LYS 19 -6.415 -17.259 -0.165 119 HZ3 LYS 19 2HZ LYS 19 -5.126 -16.381 0.490 120 H GLN 20 H GLN 20 -2.715 -21.207 4.069 121 HA GLN 20 HA GLN 20 -4.364 -20.340 6.326 122 HB2 GLN 20 2HB GLN 20 -2.448 -22.676 6.397 123 HB3 GLN 20 1HB GLN 20 -3.192 -21.952 7.815 124 HG2 GLN 20 2HG GLN 20 -5.327 -22.507 6.146 125 HG3 GLN 20 1HG GLN 20 -4.252 -23.890 5.950 126 HE21 GLN 20 1HE2 GLN 20 -5.373 -21.802 8.599 127 HE22 GLN 20 2HE2 GLN 20 -5.737 -23.092 9.687 128 H LYS 21 H LYS 21 -3.097 -19.440 8.105 129 HA LYS 21 HA LYS 21 -1.533 -18.008 8.924 130 HB2 LYS 21 2HB LYS 21 0.203 -19.768 7.202 131 HB3 LYS 21 1HB LYS 21 0.869 -18.458 8.168 132 HG2 LYS 21 2HG LYS 21 1.119 -20.100 9.687 133 HG3 LYS 21 1HG LYS 21 -0.562 -19.708 10.054 134 HD2 LYS 21 2HD LYS 21 -0.994 -21.472 8.114 135 HD3 LYS 21 1HD LYS 21 0.583 -22.060 8.647 136 HE2 LYS 21 2HE LYS 21 -0.217 -22.386 10.876 137 HE3 LYS 21 1HE LYS 21 -1.737 -21.572 10.506 138 HZ1 LYS 21 3HZ LYS 21 -0.841 -24.107 9.245 139 HZ2 LYS 21 1HZ LYS 21 -2.347 -23.358 9.052 140 HZ3 LYS 21 2HZ LYS 21 -1.914 -24.015 10.550 141 H ARG 22 H ARG 22 -3.032 -17.314 6.514 142 HA ARG 22 HA ARG 22 -1.134 -15.593 5.087 143 HB2 ARG 22 2HB ARG 22 -3.774 -16.785 4.434 144 HB3 ARG 22 1HB ARG 22 -3.428 -15.204 3.748 145 HG2 ARG 22 2HG ARG 22 -1.266 -17.165 3.463 146 HG3 ARG 22 1HG ARG 22 -2.755 -17.565 2.607 147 HD2 ARG 22 2HD ARG 22 -2.545 -15.839 1.158 148 HD3 ARG 22 1HD ARG 22 -1.822 -14.776 2.365 149 HE ARG 22 HE ARG 22 0.250 -15.458 1.674 150 HH11 ARG 22 1HH1 ARG 22 -2.137 -17.687 0.443 151 HH12 ARG 22 2HH1 ARG 22 -1.008 -18.540 -0.555 152 HH21 ARG 22 1HH2 ARG 22 1.737 -16.578 0.363 153 HH22 ARG 22 2HH2 ARG 22 1.192 -17.911 -0.601 154 H TYR 23 H TYR 23 -1.042 -13.478 5.480 155 HA TYR 23 HA TYR 23 -2.711 -12.306 7.481 156 HB2 TYR 23 2HB TYR 23 -0.541 -11.199 5.702 157 HB3 TYR 23 1HB TYR 23 -1.429 -10.193 6.843 158 HD1 TYR 23 2HD TYR 23 0.988 -12.938 6.502 159 HD2 TYR 23 1HD TYR 23 -1.043 -10.370 9.216 160 HE1 TYR 23 2HE TYR 23 2.540 -13.611 8.287 161 HE2 TYR 23 1HE TYR 23 0.502 -11.034 11.010 162 HH TYR 23 HH TYR 23 3.368 -12.821 10.401 163 H LYS 24 H LYS 24 -1.999 -10.695 4.410 164 HA LYS 24 HA LYS 24 -3.328 -9.380 3.090 165 HB2 LYS 24 2HB LYS 24 -4.620 -12.039 3.282 166 HB3 LYS 24 1HB LYS 24 -5.600 -10.749 2.598 167 HG2 LYS 24 2HG LYS 24 -3.491 -10.317 1.124 168 HG3 LYS 24 1HG LYS 24 -3.095 -11.981 1.557 169 HD2 LYS 24 2HD LYS 24 -4.692 -12.825 0.226 170 HD3 LYS 24 1HD LYS 24 -5.873 -11.614 0.723 171 HE2 LYS 24 2HE LYS 24 -3.611 -10.974 -1.149 172 HE3 LYS 24 1HE LYS 24 -5.153 -11.609 -1.724 173 HZ1 LYS 24 3HZ LYS 24 -5.451 -9.346 -1.874 174 HZ2 LYS 24 1HZ LYS 24 -4.572 -9.011 -0.467 175 HZ3 LYS 24 2HZ LYS 24 -6.127 -9.666 -0.359 176 H PHE 25 H PHE 25 -3.515 -8.653 5.756 177 HA PHE 25 HA PHE 25 -5.982 -8.453 6.934 178 HB2 PHE 25 2HB PHE 25 -3.526 -6.816 6.929 179 HB3 PHE 25 1HB PHE 25 -4.985 -5.980 7.445 180 HD1 PHE 25 2HD PHE 25 -6.446 -8.072 8.862 181 HD2 PHE 25 1HD PHE 25 -2.288 -7.169 8.843 182 HE1 PHE 25 2HE PHE 25 -6.224 -9.070 11.101 183 HE2 PHE 25 1HE PHE 25 -2.057 -8.165 11.081 184 HZ PHE 25 HZ PHE 25 -4.027 -9.116 12.212 185 H SER 26 H SER 26 -7.839 -7.245 6.616 186 HA SER 26 HA SER 26 -8.300 -6.189 4.023 187 HB2 SER 26 2HB SER 26 -10.182 -7.101 5.176 188 HB3 SER 26 1HB SER 26 -9.894 -6.087 6.590 189 HG SER 26 HG SER 26 -11.466 -5.556 4.580 190 H ALA 27 H ALA 27 -6.261 -4.803 4.301 191 HA ALA 27 HA ALA 27 -5.366 -2.712 4.322 192 HB1 ALA 27 1HB ALA 27 -7.303 -0.874 4.851 193 HB2 ALA 27 2HB ALA 27 -8.253 -2.208 4.196 194 HB3 ALA 27 3HB ALA 27 -6.938 -1.517 3.249 195 H SER 28 H SER 28 -5.973 -4.369 6.826 196 HA SER 28 HA SER 28 -6.454 -2.630 8.982 197 HB2 SER 28 2HB SER 28 -6.423 -5.211 8.941 198 HB3 SER 28 1HB SER 28 -4.684 -5.057 9.193 199 HG SER 28 HG SER 28 -6.134 -5.224 11.116 200 H GLU 29 H GLU 29 -3.668 -3.068 7.013 201 HA GLU 29 HA GLU 29 -1.599 -2.376 8.730 202 HB2 GLU 29 2HB GLU 29 -1.396 -3.139 6.340 203 HB3 GLU 29 1HB GLU 29 -1.829 -1.508 5.848 204 HG2 GLU 29 2HG GLU 29 0.242 -1.180 7.673 205 HG3 GLU 29 1HG GLU 29 0.714 -2.562 6.688 206 H ASP 30 H ASP 30 -3.568 -0.218 6.685 207 HA ASP 30 HA ASP 30 -2.422 2.195 7.468 208 HB2 ASP 30 2HB ASP 30 -5.260 1.591 6.613 209 HB3 ASP 30 1HB ASP 30 -4.602 3.217 6.773 210 H GLU 31 H GLU 31 -4.819 0.197 9.047 211 HA GLU 31 HA GLU 31 -5.664 2.132 10.949 212 HB2 GLU 31 2HB GLU 31 -6.014 -0.781 10.548 213 HB3 GLU 31 1HB GLU 31 -6.206 -0.197 12.195 214 HG2 GLU 31 2HG GLU 31 -8.018 1.160 11.627 215 HG3 GLU 31 1HG GLU 31 -7.653 1.079 9.905 216 H ALA 32 H ALA 32 -3.060 -0.193 10.806 217 HA ALA 32 HA ALA 32 -2.352 -0.040 13.559 218 HB1 ALA 32 1HB ALA 32 -0.270 -1.160 12.857 219 HB2 ALA 32 2HB ALA 32 -0.745 -0.944 11.173 220 HB3 ALA 32 3HB ALA 32 -1.712 -1.964 12.239 221 H ILE 33 H ILE 33 -1.406 1.718 10.666 222 HA ILE 33 HA ILE 33 0.780 3.086 11.882 223 HB ILE 33 HB ILE 33 -0.743 4.237 9.571 224 HG12 ILE 33 2HG1 ILE 33 1.153 1.881 9.501 225 HG13 ILE 33 1HG1 ILE 33 -0.528 1.907 8.983 226 HG21 ILE 33 1HG2 ILE 33 1.392 5.095 8.923 227 HG22 ILE 33 2HG2 ILE 33 2.213 4.111 10.136 228 HG23 ILE 33 3HG2 ILE 33 1.166 5.439 10.638 229 HD11 ILE 33 3HD1 ILE 33 -0.002 3.309 7.124 230 HD12 ILE 33 1HD1 ILE 33 1.106 1.937 7.125 231 HD13 ILE 33 2HD1 ILE 33 1.655 3.515 7.690 232 H ILE 34 H ILE 34 -2.627 3.862 11.365 233 HA ILE 34 HA ILE 34 -2.488 6.512 12.325 234 HB ILE 34 HB ILE 34 -4.941 6.337 12.657 235 HG12 ILE 34 2HG1 ILE 34 -4.566 3.499 11.685 236 HG13 ILE 34 1HG1 ILE 34 -4.964 3.949 13.340 237 HG21 ILE 34 1HG2 ILE 34 -3.815 5.342 10.045 238 HG22 ILE 34 2HG2 ILE 34 -4.140 7.013 10.510 239 HG23 ILE 34 3HG2 ILE 34 -5.478 5.891 10.260 240 HD11 ILE 34 3HD1 ILE 34 -6.658 3.875 10.931 241 HD12 ILE 34 1HD1 ILE 34 -6.944 5.204 12.055 242 HD13 ILE 34 2HD1 ILE 34 -7.055 3.534 12.615 243 H LYS 35 H LYS 35 -3.033 3.409 13.903 244 HA LYS 35 HA LYS 35 -3.658 4.525 16.458 245 HB2 LYS 35 2HB LYS 35 -4.361 2.258 15.838 246 HB3 LYS 35 1HB LYS 35 -2.679 1.759 15.716 247 HG2 LYS 35 2HG LYS 35 -2.353 2.009 18.061 248 HG3 LYS 35 1HG LYS 35 -3.930 2.780 18.253 249 HD2 LYS 35 2HD LYS 35 -4.688 0.467 17.113 250 HD3 LYS 35 1HD LYS 35 -3.231 -0.077 17.949 251 HE2 LYS 35 2HE LYS 35 -4.447 1.437 19.865 252 HE3 LYS 35 1HE LYS 35 -5.832 0.744 19.022 253 HZ1 LYS 35 3HZ LYS 35 -4.825 -1.460 19.338 254 HZ2 LYS 35 1HZ LYS 35 -5.167 -0.694 20.807 255 HZ3 LYS 35 2HZ LYS 35 -3.576 -0.757 20.236 256 H GLY 36 H GLY 36 -0.736 3.505 14.821 257 HA2 GLY 36 2HA GLY 36 0.954 3.650 17.125 258 HA3 GLY 36 1HA GLY 36 1.478 3.559 15.450 259 H LEU 37 H LEU 37 0.156 5.858 14.487 260 HA LEU 37 HA LEU 37 2.030 7.861 15.303 261 HB2 LEU 37 2HB LEU 37 0.237 7.415 13.113 262 HB3 LEU 37 1HB LEU 37 -0.027 9.028 13.746 263 HG LEU 37 HG LEU 37 2.712 8.915 13.595 264 HD11 LEU 37 1HD1 LEU 37 2.010 7.925 10.919 265 HD12 LEU 37 2HD1 LEU 37 2.007 6.710 12.198 266 HD13 LEU 37 3HD1 LEU 37 3.460 7.661 11.889 267 HD21 LEU 37 3HD2 LEU 37 1.290 9.824 11.168 268 HD22 LEU 37 1HD2 LEU 37 2.453 10.671 12.191 269 HD23 LEU 37 2HD2 LEU 37 0.771 10.529 12.700 270 H ALA 38 H ALA 38 -1.219 7.036 16.165 271 HA ALA 38 HA ALA 38 -1.776 9.629 17.340 272 HB1 ALA 38 1HB ALA 38 -3.950 8.871 17.701 273 HB2 ALA 38 2HB ALA 38 -3.458 7.177 17.708 274 HB3 ALA 38 3HB ALA 38 -3.476 8.083 16.196 275 H ARG 39 H ARG 39 -0.289 6.713 18.309 276 HA ARG 39 HA ARG 39 -0.795 7.273 21.139 277 HB2 ARG 39 2HB ARG 39 -1.234 4.978 20.351 278 HB3 ARG 39 1HB ARG 39 0.450 4.836 19.864 279 HG2 ARG 39 2HG ARG 39 1.207 4.862 22.090 280 HG3 ARG 39 1HG ARG 39 -0.350 5.431 22.695 281 HD2 ARG 39 2HD ARG 39 0.008 2.775 21.326 282 HD3 ARG 39 1HD ARG 39 0.171 2.983 23.069 283 HE ARG 39 HE ARG 39 -2.249 4.065 22.551 284 HH11 ARG 39 1HH1 ARG 39 -0.796 0.995 21.745 285 HH12 ARG 39 2HH1 ARG 39 -2.302 0.141 21.746 286 HH21 ARG 39 1HH2 ARG 39 -4.230 2.942 22.554 287 HH22 ARG 39 2HH2 ARG 39 -4.252 1.245 22.207 288 H PHE 40 H PHE 40 1.900 6.486 18.969 289 HA PHE 40 HA PHE 40 3.649 8.068 20.729 290 HB2 PHE 40 2HB PHE 40 5.481 6.393 20.038 291 HB3 PHE 40 1HB PHE 40 4.320 5.886 21.259 292 HD1 PHE 40 1HD PHE 40 2.322 4.497 20.477 293 HD2 PHE 40 2HD PHE 40 5.811 5.125 18.122 294 HE1 PHE 40 1HE PHE 40 1.758 2.522 19.122 295 HE2 PHE 40 2HE PHE 40 5.254 3.150 16.764 296 HZ PHE 40 HZ PHE 40 3.225 1.846 17.263 297 H THR 41 H THR 41 5.004 9.460 19.746 298 HA THR 41 HA THR 41 5.724 9.198 16.973 299 HB THR 41 HB THR 41 4.775 11.486 16.403 300 HG1 THR 41 1HG THR 41 3.815 12.478 17.960 301 HG21 THR 41 3HG2 THR 41 3.751 9.355 15.618 302 HG22 THR 41 1HG2 THR 41 2.623 10.699 15.783 303 HG23 THR 41 2HG2 THR 41 2.669 9.432 17.008 304 H LYS 42 H LYS 42 7.090 9.381 19.508 305 HA LYS 42 HA LYS 42 8.230 12.023 19.682 306 HB2 LYS 42 2HB LYS 42 9.196 9.484 21.005 307 HB3 LYS 42 1HB LYS 42 9.575 11.135 21.476 308 HG2 LYS 42 2HG LYS 42 6.717 10.359 21.427 309 HG3 LYS 42 1HG LYS 42 7.728 9.687 22.709 310 HD2 LYS 42 2HD LYS 42 7.886 12.608 22.141 311 HD3 LYS 42 1HD LYS 42 6.485 11.990 23.015 312 HE2 LYS 42 2HE LYS 42 8.497 10.741 24.328 313 HE3 LYS 42 1HE LYS 42 9.291 12.245 23.864 314 HZ1 LYS 42 3HZ LYS 42 7.056 11.809 25.697 315 HZ2 LYS 42 1HZ LYS 42 7.053 13.239 24.792 316 HZ3 LYS 42 2HZ LYS 42 8.356 12.886 25.812 317 H GLY 43 H GLY 43 9.088 12.302 17.574 318 HA2 GLY 43 2HA GLY 43 11.793 11.828 17.280 319 HA3 GLY 43 1HA GLY 43 10.991 10.499 16.455 320 H GLN 44 H GLN 44 12.673 12.511 15.276 321 HA GLN 44 HA GLN 44 11.244 14.553 14.003 322 HB2 GLN 44 2HB GLN 44 13.580 13.112 12.761 323 HB3 GLN 44 1HB GLN 44 13.117 14.797 12.568 324 HG2 GLN 44 2HG GLN 44 13.571 14.310 15.329 325 HG3 GLN 44 1HG GLN 44 14.932 13.660 14.415 326 HE21 GLN 44 1HE2 GLN 44 12.906 16.546 14.712 327 HE22 GLN 44 2HE2 GLN 44 14.163 17.679 14.363 328 H GLN 45 H GLN 45 11.265 11.161 13.445 329 HA GLN 45 HA GLN 45 9.443 11.529 11.194 330 HB2 GLN 45 2HB GLN 45 11.989 10.960 10.604 331 HB3 GLN 45 1HB GLN 45 11.423 9.327 10.928 332 HG2 GLN 45 2HG GLN 45 10.059 9.286 9.105 333 HG3 GLN 45 1HG GLN 45 9.795 11.029 9.125 334 HE21 GLN 45 1HE2 GLN 45 10.940 12.264 7.786 335 HE22 GLN 45 2HE2 GLN 45 12.265 11.724 6.820 336 H ARG 46 H ARG 46 7.835 10.939 12.706 337 HA ARG 46 HA ARG 46 7.925 8.492 14.154 338 HB2 ARG 46 2HB ARG 46 5.536 8.949 14.614 339 HB3 ARG 46 1HB ARG 46 6.572 10.330 14.954 340 HG2 ARG 46 2HG ARG 46 5.851 10.799 12.366 341 HG3 ARG 46 1HG ARG 46 4.401 10.034 13.019 342 HD2 ARG 46 2HD ARG 46 3.943 11.770 14.392 343 HD3 ARG 46 1HD ARG 46 5.644 12.093 14.723 344 HE ARG 46 HE ARG 46 4.016 13.271 12.658 345 HH11 ARG 46 1HH1 ARG 46 7.270 12.568 13.707 346 HH12 ARG 46 2HH1 ARG 46 7.981 13.829 12.757 347 HH21 ARG 46 1HH2 ARG 46 4.952 14.929 11.408 348 HH22 ARG 46 2HH2 ARG 46 6.666 15.170 11.453 349 H PHE 47 H PHE 47 6.973 9.337 10.931 350 HA PHE 47 HA PHE 47 5.173 7.237 10.415 351 HB2 PHE 47 2HB PHE 47 7.024 8.497 8.392 352 HB3 PHE 47 1HB PHE 47 5.454 7.758 8.098 353 HD1 PHE 47 2HD PHE 47 3.523 8.872 9.637 354 HD2 PHE 47 1HD PHE 47 7.088 10.780 8.309 355 HE1 PHE 47 2HE PHE 47 2.440 11.067 9.897 356 HE2 PHE 47 1HE PHE 47 6.012 12.977 8.567 357 HZ PHE 47 HZ PHE 47 3.685 13.123 9.361 358 H GLN 48 H GLN 48 8.677 7.460 9.773 359 HA GLN 48 HA GLN 48 8.852 4.800 8.778 360 HB2 GLN 48 2HB GLN 48 11.329 5.135 9.071 361 HB3 GLN 48 1HB GLN 48 10.526 6.337 8.072 362 HG2 GLN 48 2HG GLN 48 11.466 7.897 9.320 363 HG3 GLN 48 1HG GLN 48 10.441 7.374 10.653 364 HE21 GLN 48 1HE2 GLN 48 13.500 6.607 9.047 365 HE22 GLN 48 2HE2 GLN 48 14.347 6.162 10.486 366 H GLN 49 H GLN 49 9.440 6.282 11.930 367 HA GLN 49 HA GLN 49 10.499 3.982 13.183 368 HB2 GLN 49 2HB GLN 49 10.290 6.568 13.908 369 HB3 GLN 49 1HB GLN 49 8.948 5.902 14.826 370 HG2 GLN 49 2HG GLN 49 10.568 4.203 15.738 371 HG3 GLN 49 1HG GLN 49 11.852 5.160 15.002 372 HE21 GLN 49 1HE2 GLN 49 12.112 7.355 15.714 373 HE22 GLN 49 2HE2 GLN 49 11.652 7.801 17.318 374 H ILE 50 H ILE 50 7.217 5.356 13.157 375 HA ILE 50 HA ILE 50 6.007 3.418 14.761 376 HB ILE 50 HB ILE 50 5.007 5.625 13.980 377 HG12 ILE 50 2HG1 ILE 50 3.796 3.857 15.264 378 HG13 ILE 50 1HG1 ILE 50 2.752 4.841 14.246 379 HG21 ILE 50 1HG2 ILE 50 3.584 5.508 11.960 380 HG22 ILE 50 2HG2 ILE 50 4.323 3.957 11.565 381 HG23 ILE 50 3HG2 ILE 50 5.308 5.417 11.607 382 HD11 ILE 50 3HD1 ILE 50 3.362 2.762 12.592 383 HD12 ILE 50 1HD1 ILE 50 1.908 2.891 13.580 384 HD13 ILE 50 2HD1 ILE 50 3.297 1.980 14.171 385 H TYR 51 H TYR 51 6.633 3.487 11.298 386 HA TYR 51 HA TYR 51 5.145 1.228 10.569 387 HB2 TYR 51 2HB TYR 51 6.028 2.751 8.892 388 HB3 TYR 51 1HB TYR 51 7.678 2.348 9.356 389 HD1 TYR 51 2HD TYR 51 4.646 0.312 8.544 390 HD2 TYR 51 1HD TYR 51 8.730 1.142 7.696 391 HE1 TYR 51 2HE TYR 51 4.662 -1.502 6.885 392 HE2 TYR 51 1HE TYR 51 8.755 -0.668 6.033 393 HH TYR 51 HH TYR 51 5.886 -2.223 4.959 394 H TYR 52 H TYR 52 8.523 1.548 11.555 395 HA TYR 52 HA TYR 52 9.139 -1.208 11.333 396 HB2 TYR 52 2HB TYR 52 10.455 1.147 12.638 397 HB3 TYR 52 1HB TYR 52 11.059 -0.477 12.954 398 HD1 TYR 52 2HD TYR 52 11.371 -1.927 10.711 399 HD2 TYR 52 1HD TYR 52 11.459 2.321 10.932 400 HE1 TYR 52 2HE TYR 52 12.676 -1.850 8.628 401 HE2 TYR 52 1HE TYR 52 12.764 2.409 8.850 402 HH TYR 52 HH TYR 52 14.459 0.440 7.656 403 H ALA 53 H ALA 53 7.559 0.653 13.791 404 HA ALA 53 HA ALA 53 8.085 -1.183 15.925 405 HB1 ALA 53 1HB ALA 53 7.504 1.268 16.176 406 HB2 ALA 53 2HB ALA 53 6.656 0.151 17.246 407 HB3 ALA 53 3HB ALA 53 5.837 0.808 15.828 408 H TYR 54 H TYR 54 5.199 -0.459 13.984 409 HA TYR 54 HA TYR 54 3.806 -2.747 15.027 410 HB2 TYR 54 2HB TYR 54 1.918 -1.924 14.023 411 HB3 TYR 54 1HB TYR 54 2.852 -0.444 14.178 412 HD1 TYR 54 1HD TYR 54 1.838 -3.094 11.795 413 HD2 TYR 54 2HD TYR 54 3.474 0.803 12.269 414 HE1 TYR 54 1HE TYR 54 1.611 -2.712 9.377 415 HE2 TYR 54 2HE TYR 54 3.250 1.198 9.854 416 HH TYR 54 HH TYR 54 2.849 -1.136 7.640 417 H ARG 55 H ARG 55 6.253 -2.564 12.840 418 HA ARG 55 HA ARG 55 5.437 -4.011 10.627 419 HB2 ARG 55 2HB ARG 55 7.744 -4.625 10.299 420 HB3 ARG 55 1HB ARG 55 7.676 -2.976 10.902 421 HG2 ARG 55 2HG ARG 55 9.276 -3.669 12.299 422 HG3 ARG 55 1HG ARG 55 7.935 -4.357 13.219 423 HD2 ARG 55 2HD ARG 55 8.941 -6.331 13.000 424 HD3 ARG 55 1HD ARG 55 8.512 -6.271 11.291 425 HE ARG 55 HE ARG 55 10.727 -6.053 10.842 426 HH11 ARG 55 1HH1 ARG 55 10.158 -4.817 14.056 427 HH12 ARG 55 2HH1 ARG 55 11.827 -4.461 14.350 428 HH21 ARG 55 1HH2 ARG 55 12.924 -5.586 11.227 429 HH22 ARG 55 2HH2 ARG 55 13.397 -4.895 12.745 430 H SER 56 H SER 56 4.214 -5.768 10.723 431 HA SER 56 HA SER 56 5.119 -8.282 11.300 432 HB2 SER 56 2HB SER 56 3.617 -8.577 13.495 433 HB3 SER 56 1HB SER 56 5.323 -8.138 13.581 434 HG SER 56 HG SER 56 3.108 -6.685 14.250 435 H VAL 57 H VAL 57 2.386 -6.095 11.393 436 HA VAL 57 HA VAL 57 0.396 -8.098 10.957 437 HB VAL 57 HB VAL 57 -1.120 -6.214 10.481 438 HG11 VAL 57 1HG1 VAL 57 -1.207 -6.516 12.716 439 HG12 VAL 57 2HG1 VAL 57 -0.428 -4.934 12.739 440 HG13 VAL 57 3HG1 VAL 57 0.542 -6.398 12.911 441 HG21 VAL 57 3HG2 VAL 57 0.157 -3.918 11.088 442 HG22 VAL 57 1HG2 VAL 57 -0.108 -4.486 9.439 443 HG23 VAL 57 2HG2 VAL 57 1.441 -4.775 10.234 444 H TRP 58 H TRP 58 2.519 -6.280 8.900 445 HA TRP 58 HA TRP 58 1.087 -7.314 6.542 446 HB2 TRP 58 2HB TRP 58 1.935 -4.675 7.148 447 HB3 TRP 58 1HB TRP 58 2.936 -5.250 5.818 448 HD1 TRP 58 HD TRP 58 -0.719 -6.345 6.152 449 HE1 TRP 58 1HE TRP 58 -2.047 -5.377 4.171 450 HE3 TRP 58 3HE TRP 58 2.898 -3.349 4.135 451 HZ2 TRP 58 2HZ TRP 58 -1.620 -3.581 2.037 452 HZ3 TRP 58 3HZ TRP 58 2.357 -2.038 2.122 453 HH2 TRP 58 HH TRP 58 0.144 -2.154 1.095 454 H HIS 59 H HIS 59 4.375 -6.018 6.910 455 HA HIS 59 HA HIS 59 5.532 -8.636 6.428 456 HB2 HIS 59 2HB HIS 59 5.309 -6.551 4.360 457 HB3 HIS 59 1HB HIS 59 6.923 -7.230 4.546 458 HD1 HIS 59 1HD HIS 59 5.955 -10.169 5.199 459 HD2 HIS 59 2HD HIS 59 4.685 -7.835 2.003 460 HE1 HIS 59 1HE HIS 59 5.137 -11.793 3.464 461 HE2 HIS 59 2HE HIS 59 4.463 -10.362 1.502 462 HA PRO 60 HA PRO 60 8.227 -6.448 9.342 463 HB2 PRO 60 2HB PRO 60 9.573 -9.077 9.408 464 HB3 PRO 60 1HB PRO 60 8.898 -8.127 10.734 465 HG2 PRO 60 2HG PRO 60 7.701 -10.360 9.871 466 HG3 PRO 60 1HG PRO 60 6.764 -8.960 10.422 467 HD2 PRO 60 2HD PRO 60 7.350 -9.870 7.630 468 HD3 PRO 60 1HD PRO 60 5.842 -9.224 8.311 469 H ALA 61 H ALA 61 9.246 -5.135 7.774 470 HA ALA 61 HA ALA 61 11.954 -5.681 7.296 471 HB1 ALA 61 1HB ALA 61 10.681 -5.636 4.636 472 HB2 ALA 61 2HB ALA 61 10.512 -7.134 5.552 473 HB3 ALA 61 3HB ALA 61 12.115 -6.495 5.198 474 H ARG 62 H ARG 62 12.972 -4.027 5.845 475 HA ARG 62 HA ARG 62 11.991 -1.449 6.497 476 HB2 ARG 62 2HB ARG 62 14.109 -2.173 4.465 477 HB3 ARG 62 1HB ARG 62 13.878 -0.604 5.223 478 HG2 ARG 62 2HG ARG 62 14.309 -1.773 7.433 479 HG3 ARG 62 1HG ARG 62 14.864 -3.145 6.475 480 HD2 ARG 62 2HD ARG 62 16.018 -0.602 5.632 481 HD3 ARG 62 1HD ARG 62 16.406 -1.025 7.299 482 HE ARG 62 HE ARG 62 17.355 -2.317 4.915 483 HH11 ARG 62 1HH1 ARG 62 16.729 -2.715 8.324 484 HH12 ARG 62 2HH1 ARG 62 17.871 -4.002 8.512 485 HH21 ARG 62 1HH2 ARG 62 18.859 -4.010 5.159 486 HH22 ARG 62 2HH2 ARG 62 19.084 -4.737 6.714 487 H THR 63 H THR 63 10.562 -0.216 5.476 488 HA THR 63 HA THR 63 10.317 -0.131 2.633 489 HB THR 63 HB THR 63 7.705 -0.912 3.737 490 HG1 THR 63 1HG THR 63 8.253 -3.139 3.726 491 HG21 THR 63 3HG2 THR 63 7.328 -1.835 1.694 492 HG22 THR 63 1HG2 THR 63 9.014 -2.295 1.463 493 HG23 THR 63 2HG2 THR 63 8.524 -0.613 1.261 494 H VAL 64 H VAL 64 10.825 1.780 4.629 495 HA VAL 64 HA VAL 64 8.625 3.234 5.518 496 HB VAL 64 HB VAL 64 11.338 4.287 4.698 497 HG11 VAL 64 1HG1 VAL 64 10.839 6.213 6.101 498 HG12 VAL 64 2HG1 VAL 64 9.235 5.565 6.446 499 HG13 VAL 64 3HG1 VAL 64 9.649 6.068 4.808 500 HG21 VAL 64 3HG2 VAL 64 11.938 4.079 7.013 501 HG22 VAL 64 1HG2 VAL 64 11.324 2.523 6.455 502 HG23 VAL 64 2HG2 VAL 64 10.303 3.573 7.438 503 H SER 65 H SER 65 10.182 3.159 2.378 504 HA SER 65 HA SER 65 9.023 5.458 1.261 505 HB2 SER 65 2HB SER 65 10.812 3.641 0.360 506 HB3 SER 65 1HB SER 65 9.379 3.116 -0.523 507 HG SER 65 HG SER 65 9.680 4.743 -1.796 508 H GLN 66 H GLN 66 7.979 2.074 1.195 509 HA GLN 66 HA GLN 66 5.592 2.445 -0.220 510 HB2 GLN 66 2HB GLN 66 6.713 0.363 1.560 511 HB3 GLN 66 1HB GLN 66 4.962 0.368 1.407 512 HG2 GLN 66 2HG GLN 66 6.769 0.383 -0.986 513 HG3 GLN 66 1HG GLN 66 6.282 -1.109 -0.186 514 HE21 GLN 66 1HE2 GLN 66 4.505 -2.042 -0.898 515 HE22 GLN 66 2HE2 GLN 66 3.252 -1.280 -1.810 516 H LEU 67 H LEU 67 6.378 2.761 3.184 517 HA LEU 67 HA LEU 67 3.822 3.015 4.262 518 HB2 LEU 67 2HB LEU 67 6.192 2.945 5.375 519 HB3 LEU 67 1HB LEU 67 6.097 4.691 5.246 520 HG LEU 67 HG LEU 67 5.404 4.062 7.446 521 HD11 LEU 67 1HD1 LEU 67 2.902 4.670 5.888 522 HD12 LEU 67 2HD1 LEU 67 4.146 5.864 6.257 523 HD13 LEU 67 3HD1 LEU 67 3.256 5.084 7.566 524 HD21 LEU 67 3HD2 LEU 67 4.597 1.722 6.377 525 HD22 LEU 67 1HD2 LEU 67 3.042 2.524 6.599 526 HD23 LEU 67 2HD2 LEU 67 4.119 2.291 7.976 527 H TYR 68 H TYR 68 6.004 5.517 3.041 528 HA TYR 68 HA TYR 68 4.263 7.687 3.442 529 HB2 TYR 68 2HB TYR 68 6.619 7.219 1.634 530 HB3 TYR 68 1HB TYR 68 5.681 8.703 1.510 531 HD1 TYR 68 1HD TYR 68 6.279 6.979 4.715 532 HD2 TYR 68 2HD TYR 68 7.470 10.163 2.155 533 HE1 TYR 68 1HE TYR 68 7.596 7.955 6.549 534 HE2 TYR 68 2HE TYR 68 8.788 11.148 3.982 535 HH TYR 68 HH TYR 68 8.569 9.995 7.238 536 H ASP 69 H ASP 69 4.478 5.256 0.961 537 HA ASP 69 HA ASP 69 2.963 6.577 -1.021 538 HB2 ASP 69 2HB ASP 69 4.073 3.922 -0.605 539 HB3 ASP 69 1HB ASP 69 2.500 3.860 -1.396 540 H HIS 70 H HIS 70 1.997 4.196 1.449 541 HA HIS 70 HA HIS 70 -0.776 4.424 0.714 542 HB2 HIS 70 2HB HIS 70 -0.429 3.403 3.402 543 HB3 HIS 70 1HB HIS 70 -1.085 2.602 1.982 544 HD1 HIS 70 1HD HIS 70 1.742 2.579 4.251 545 HD2 HIS 70 2HD HIS 70 0.997 1.320 0.364 546 HE1 HIS 70 1HE HIS 70 3.580 0.962 3.710 547 HE2 HIS 70 2HE HIS 70 3.018 0.091 1.410 548 H TRP 71 H TRP 71 1.371 5.887 3.021 549 HA TRP 71 HA TRP 71 -0.651 7.148 4.582 550 HB2 TRP 71 2HB TRP 71 1.919 6.659 5.057 551 HB3 TRP 71 1HB TRP 71 2.101 8.288 4.409 552 HD1 TRP 71 HD TRP 71 2.261 9.963 6.328 553 HE1 TRP 71 1HE TRP 71 1.143 10.262 8.626 554 HE3 TRP 71 3HE TRP 71 -0.700 5.796 6.339 555 HZ2 TRP 71 2HZ TRP 71 -0.745 8.910 10.232 556 HZ3 TRP 71 3HZ TRP 71 -2.133 5.371 8.293 557 HH2 TRP 71 HH TRP 71 -2.153 6.897 10.200 558 H ARG 72 H ARG 72 1.036 7.920 1.628 559 HA ARG 72 HA ARG 72 0.309 10.704 1.644 560 HB2 ARG 72 2HB ARG 72 1.648 8.856 -0.281 561 HB3 ARG 72 1HB ARG 72 0.952 10.345 -0.905 562 HG2 ARG 72 2HG ARG 72 2.321 11.648 0.628 563 HG3 ARG 72 1HG ARG 72 3.004 10.162 1.292 564 HD2 ARG 72 2HD ARG 72 4.421 9.910 -0.426 565 HD3 ARG 72 1HD ARG 72 3.197 10.346 -1.619 566 HE ARG 72 HE ARG 72 5.150 12.085 -0.417 567 HH11 ARG 72 1HH1 ARG 72 2.065 11.920 -2.039 568 HH12 ARG 72 2HH1 ARG 72 2.141 13.552 -2.615 569 HH21 ARG 72 1HH2 ARG 72 5.251 14.230 -1.171 570 HH22 ARG 72 2HH2 ARG 72 3.949 14.863 -2.123 571 H GLY 73 H GLY 73 -0.892 7.747 0.151 572 HA2 GLY 73 2HA GLY 73 -2.923 9.078 -1.380 573 HA3 GLY 73 1HA GLY 73 -2.774 7.345 -1.129 574 H THR 74 H THR 74 -2.733 7.730 1.827 575 HA THR 74 HA THR 74 -5.580 7.612 2.209 576 HB THR 74 HB THR 74 -3.329 7.483 4.226 577 HG1 THR 74 1HG THR 74 -3.660 5.249 4.073 578 HG21 THR 74 3HG2 THR 74 -4.779 6.829 5.848 579 HG22 THR 74 1HG2 THR 74 -5.973 6.228 4.698 580 HG23 THR 74 2HG2 THR 74 -5.807 7.963 4.971 581 H LEU 75 H LEU 75 -2.960 9.766 3.263 582 HA LEU 75 HA LEU 75 -4.501 11.497 4.827 583 HB2 LEU 75 2HB LEU 75 -1.852 11.515 3.595 584 HB3 LEU 75 1HB LEU 75 -2.553 13.116 3.726 585 HG LEU 75 HG LEU 75 -1.129 12.552 5.652 586 HD11 LEU 75 1HD1 LEU 75 -4.067 12.959 6.122 587 HD12 LEU 75 2HD1 LEU 75 -2.779 14.164 6.102 588 HD13 LEU 75 3HD1 LEU 75 -2.883 13.008 7.428 589 HD21 LEU 75 3HD2 LEU 75 -2.965 10.217 5.771 590 HD22 LEU 75 1HD2 LEU 75 -2.374 10.895 7.288 591 HD23 LEU 75 2HD2 LEU 75 -1.230 10.313 6.080 592 H ARG 76 H ARG 76 -4.081 11.290 1.370 593 HA ARG 76 HA ARG 76 -5.666 13.736 1.006 594 HB2 ARG 76 2HB ARG 76 -3.750 12.242 -0.749 595 HB3 ARG 76 1HB ARG 76 -4.961 13.291 -1.472 596 HG2 ARG 76 2HG ARG 76 -3.000 14.197 0.622 597 HG3 ARG 76 1HG ARG 76 -2.733 14.349 -1.117 598 HD2 ARG 76 2HD ARG 76 -4.745 15.719 -1.312 599 HD3 ARG 76 1HD ARG 76 -5.037 15.548 0.419 600 HE ARG 76 HE ARG 76 -3.520 17.209 0.779 601 HH11 ARG 76 1HH1 ARG 76 -2.947 15.875 -2.393 602 HH12 ARG 76 2HH1 ARG 76 -1.738 17.044 -2.804 603 HH21 ARG 76 1HH2 ARG 76 -1.930 18.747 0.241 604 HH22 ARG 76 2HH2 ARG 76 -1.159 18.674 -1.308 605 H TYR 77 H TYR 77 -7.006 13.519 -1.181 606 HA TYR 77 HA TYR 77 -8.247 10.940 -1.537 607 HB2 TYR 77 2HB TYR 77 -9.323 12.642 0.412 608 HB3 TYR 77 1HB TYR 77 -10.382 12.817 -0.983 609 HD1 TYR 77 2HD TYR 77 -10.458 10.178 -2.155 610 HD2 TYR 77 1HD TYR 77 -10.385 11.285 1.953 611 HE1 TYR 77 2HE TYR 77 -11.577 8.066 -1.572 612 HE2 TYR 77 1HE TYR 77 -11.503 9.177 2.547 613 HH TYR 77 HH TYR 77 -11.807 6.928 1.621 614 H LYS 78 H LYS 78 -6.823 12.859 -3.170 615 HA LYS 78 HA LYS 78 -8.923 13.391 -5.165 616 HB2 LYS 78 2HB LYS 78 -6.505 15.141 -4.697 617 HB3 LYS 78 1HB LYS 78 -7.824 15.438 -5.822 618 HG2 LYS 78 2HG LYS 78 -9.103 15.175 -3.393 619 HG3 LYS 78 1HG LYS 78 -7.617 16.038 -2.990 620 HD2 LYS 78 2HD LYS 78 -9.379 16.867 -5.280 621 HD3 LYS 78 1HD LYS 78 -9.645 17.446 -3.635 622 HE2 LYS 78 2HE LYS 78 -7.850 18.809 -3.687 623 HE3 LYS 78 1HE LYS 78 -6.879 17.665 -4.612 624 HZ1 LYS 78 3HZ LYS 78 -8.406 18.316 -6.542 625 HZ2 LYS 78 1HZ LYS 78 -7.210 19.416 -6.070 626 HZ3 LYS 78 2HZ LYS 78 -8.817 19.659 -5.600 627 H VAL 79 H VAL 79 -8.466 11.510 -6.300 628 HA VAL 79 HA VAL 79 -6.260 11.689 -8.124 629 HB VAL 79 HB VAL 79 -5.120 10.660 -6.206 630 HG11 VAL 79 1HG1 VAL 79 -7.461 9.418 -5.674 631 HG12 VAL 79 2HG1 VAL 79 -5.902 8.917 -5.017 632 HG13 VAL 79 3HG1 VAL 79 -6.561 8.107 -6.438 633 HG21 VAL 79 3HG2 VAL 79 -5.566 8.840 -8.568 634 HG22 VAL 79 1HG2 VAL 79 -4.279 8.633 -7.380 635 HG23 VAL 79 2HG2 VAL 79 -4.321 10.076 -8.393 636 H ILE 80 H ILE 80 -6.860 10.860 -10.025 637 HA ILE 80 HA ILE 80 -8.982 8.819 -10.063 638 HB ILE 80 HB ILE 80 -9.820 9.912 -12.175 639 HG12 ILE 80 2HG1 ILE 80 -8.721 12.512 -11.308 640 HG13 ILE 80 1HG1 ILE 80 -7.554 11.410 -12.031 641 HG21 ILE 80 1HG2 ILE 80 -10.029 11.330 -9.530 642 HG22 ILE 80 2HG2 ILE 80 -11.121 10.121 -10.204 643 HG23 ILE 80 3HG2 ILE 80 -11.034 11.729 -10.924 644 HD11 ILE 80 3HD1 ILE 80 -8.278 12.553 -13.868 645 HD12 ILE 80 1HD1 ILE 80 -9.917 12.737 -13.247 646 HD13 ILE 80 2HD1 ILE 80 -9.386 11.181 -13.884 647 H GLN 81 H GLN 81 -6.417 8.020 -10.174 648 HA GLN 81 HA GLN 81 -5.790 7.636 -13.018 649 HB2 GLN 81 2HB GLN 81 -4.083 7.147 -10.569 650 HB3 GLN 81 1HB GLN 81 -3.569 6.897 -12.232 651 HG2 GLN 81 2HG GLN 81 -3.811 9.264 -12.692 652 HG3 GLN 81 1HG GLN 81 -4.409 9.538 -11.057 653 HE21 GLN 81 1HE2 GLN 81 -1.697 9.369 -13.049 654 HE22 GLN 81 2HE2 GLN 81 -0.480 9.473 -11.827 655 H GLN 82 H GLN 82 -6.496 5.931 -10.030 656 HA GLN 82 HA GLN 82 -6.297 3.352 -11.395 657 HB2 GLN 82 2HB GLN 82 -5.417 3.938 -8.983 658 HB3 GLN 82 1HB GLN 82 -7.086 3.632 -8.523 659 HG2 GLN 82 2HG GLN 82 -6.655 1.469 -8.460 660 HG3 GLN 82 1HG GLN 82 -6.294 1.501 -10.185 661 HE21 GLN 82 1HE2 GLN 82 -4.096 1.957 -10.818 662 HE22 GLN 82 2HE2 GLN 82 -2.796 1.499 -9.779 663 H GLN 83 H GLN 83 -8.020 2.125 -11.919 664 HA GLN 83 HA GLN 83 -10.644 2.723 -10.828 665 HB2 GLN 83 2HB GLN 83 -11.688 2.962 -13.038 666 HB3 GLN 83 1HB GLN 83 -10.518 4.239 -12.733 667 HG2 GLN 83 2HG GLN 83 -9.653 3.760 -14.715 668 HG3 GLN 83 1HG GLN 83 -9.034 2.278 -13.989 669 HE21 GLN 83 1HE2 GLN 83 -9.642 0.425 -14.858 670 HE22 GLN 83 2HE2 GLN 83 -10.971 0.202 -15.938 671 H GLY 84 H GLY 84 -12.235 1.083 -11.326 672 HA2 GLY 84 2HA GLY 84 -12.933 -1.048 -11.953 673 HA3 GLY 84 1HA GLY 84 -11.350 -1.331 -12.662 674 H TYR 85 H TYR 85 -13.111 -2.904 -10.778 675 HA TYR 85 HA TYR 85 -10.964 -3.673 -8.971 676 HB2 TYR 85 2HB TYR 85 -12.977 -2.017 -8.037 677 HB3 TYR 85 1HB TYR 85 -13.519 -3.620 -7.554 678 HD1 TYR 85 2HD TYR 85 -10.186 -1.921 -7.690 679 HD2 TYR 85 1HD TYR 85 -13.027 -4.051 -5.346 680 HE1 TYR 85 2HE TYR 85 -8.645 -1.856 -5.777 681 HE2 TYR 85 1HE TYR 85 -11.494 -3.991 -3.425 682 HH TYR 85 HH TYR 85 -9.062 -1.988 -3.074 683 H ARG 86 H ARG 86 -10.722 -5.778 -9.261 684 HA ARG 86 HA ARG 86 -12.963 -7.574 -9.059 685 HB2 ARG 86 2HB ARG 86 -12.552 -6.696 -11.569 686 HB3 ARG 86 1HB ARG 86 -11.408 -8.031 -11.544 687 HG2 ARG 86 2HG ARG 86 -14.030 -8.722 -10.465 688 HG3 ARG 86 1HG ARG 86 -14.064 -8.218 -12.157 689 HD2 ARG 86 2HD ARG 86 -12.333 -10.385 -10.969 690 HD3 ARG 86 1HD ARG 86 -13.759 -10.626 -11.978 691 HE ARG 86 HE ARG 86 -11.789 -9.014 -13.268 692 HH11 ARG 86 1HH1 ARG 86 -12.661 -12.308 -12.513 693 HH12 ARG 86 2HH1 ARG 86 -11.801 -12.977 -13.860 694 HH21 ARG 86 1HH2 ARG 86 -10.658 -9.891 -15.039 695 HH22 ARG 86 2HH2 ARG 86 -10.663 -11.605 -15.294 696 H GLY 87 H GLY 87 -10.562 -7.108 -7.575 697 HA2 GLY 87 2HA GLY 87 -9.250 -9.727 -7.963 698 HA3 GLY 87 1HA GLY 87 -8.328 -8.284 -7.566 699 H LYS 88 H LYS 88 -11.469 -8.897 -6.175 700 HA LYS 88 HA LYS 88 -10.450 -10.114 -3.783 701 HB2 LYS 88 2HB LYS 88 -9.800 -7.733 -3.471 702 HB3 LYS 88 1HB LYS 88 -11.495 -7.283 -3.602 703 HG2 LYS 88 2HG LYS 88 -10.751 -7.371 -1.280 704 HG3 LYS 88 1HG LYS 88 -12.014 -8.560 -1.606 705 HD2 LYS 88 2HD LYS 88 -10.603 -10.333 -1.345 706 HD3 LYS 88 1HD LYS 88 -9.196 -9.434 -1.920 707 HE2 LYS 88 2HE LYS 88 -8.896 -8.371 0.155 708 HE3 LYS 88 1HE LYS 88 -10.508 -8.819 0.711 709 HZ1 LYS 88 3HZ LYS 88 -8.172 -10.608 0.348 710 HZ2 LYS 88 1HZ LYS 88 -9.739 -11.172 0.640 711 HZ3 LYS 88 2HZ LYS 88 -8.954 -10.220 1.795 712 H ASN 89 H ASN 89 -12.018 -11.662 -4.056 713 HA ASN 89 HA ASN 89 -14.702 -10.872 -3.268 714 HB2 ASN 89 2HB ASN 89 -13.989 -11.764 -5.973 715 HB3 ASN 89 1HB ASN 89 -15.312 -12.675 -5.249 716 HD21 ASN 89 1HD2 ASN 89 -14.278 -9.635 -6.504 717 HD22 ASN 89 2HD2 ASN 89 -15.820 -8.857 -6.474 718 H SER 90 H SER 90 -12.856 -13.682 -4.466 719 HA SER 90 HA SER 90 -13.114 -15.062 -1.978 720 HB2 SER 90 2HB SER 90 -14.552 -16.853 -2.637 721 HB3 SER 90 1HB SER 90 -15.392 -15.360 -3.049 722 HG SER 90 HG SER 90 -14.031 -17.141 -4.775 723 H VAL 91 H VAL 91 -12.619 -15.517 -5.470 724 HA VAL 91 HA VAL 91 -10.471 -17.422 -4.906 725 HB VAL 91 HB VAL 91 -10.470 -17.779 -7.385 726 HG11 VAL 91 1HG1 VAL 91 -13.269 -18.272 -6.614 727 HG12 VAL 91 2HG1 VAL 91 -12.048 -18.873 -5.493 728 HG13 VAL 91 3HG1 VAL 91 -12.031 -19.394 -7.177 729 HG21 VAL 91 3HG2 VAL 91 -12.240 -16.896 -8.738 730 HG22 VAL 91 1HG2 VAL 91 -11.436 -15.547 -7.937 731 HG23 VAL 91 2HG2 VAL 91 -12.991 -16.127 -7.340 732 H ALA 92 H ALA 92 -8.358 -17.048 -5.371 733 HA ALA 92 HA ALA 92 -7.678 -14.337 -6.299 734 HB1 ALA 92 1HB ALA 92 -6.933 -14.677 -4.053 735 HB2 ALA 92 2HB ALA 92 -5.517 -14.697 -5.105 736 HB3 ALA 92 3HB ALA 92 -6.175 -16.211 -4.480 737 H ALA 93 H ALA 93 -7.166 -14.378 -8.393 738 HA ALA 93 HA ALA 93 -5.458 -16.575 -9.369 739 HB1 ALA 93 1HB ALA 93 -7.909 -16.078 -10.290 740 HB2 ALA 93 2HB ALA 93 -6.609 -16.677 -11.322 741 HB3 ALA 93 3HB ALA 93 -7.004 -14.958 -11.309 742 H ARG 94 H ARG 94 -3.729 -16.080 -10.730 743 HA ARG 94 HA ARG 94 -2.655 -13.410 -10.362 744 HB2 ARG 94 2HB ARG 94 -1.509 -15.902 -10.416 745 HB3 ARG 94 1HB ARG 94 -1.117 -15.286 -12.016 746 HG2 ARG 94 2HG ARG 94 -0.289 -13.191 -10.795 747 HG3 ARG 94 1HG ARG 94 -0.338 -14.189 -9.340 748 HD2 ARG 94 2HD ARG 94 1.014 -15.874 -10.817 749 HD3 ARG 94 1HD ARG 94 1.399 -14.431 -11.755 750 HE ARG 94 HE ARG 94 1.971 -13.686 -9.221 751 HH11 ARG 94 1HH1 ARG 94 2.910 -16.424 -11.171 752 HH12 ARG 94 2HH1 ARG 94 4.446 -16.610 -10.392 753 HH21 ARG 94 1HH2 ARG 94 3.990 -13.931 -8.195 754 HH22 ARG 94 2HH2 ARG 94 5.059 -15.194 -8.704 755 H SER 95 H SER 95 -1.367 -12.551 -12.350 756 HA SER 95 HA SER 95 -2.596 -13.031 -14.912 757 HB2 SER 95 2HB SER 95 -3.935 -11.245 -13.359 758 HB3 SER 95 1HB SER 95 -2.803 -10.175 -14.185 759 HG SER 95 HG SER 95 -3.906 -10.419 -15.951 760 HA PRO 96 HA PRO 96 1.399 -11.714 -16.244 761 HB2 PRO 96 2HB PRO 96 0.857 -10.924 -18.786 762 HB3 PRO 96 1HB PRO 96 0.899 -12.621 -18.296 763 HG2 PRO 96 2HG PRO 96 -1.460 -10.814 -18.664 764 HG3 PRO 96 1HG PRO 96 -1.255 -12.503 -19.166 765 HD2 PRO 96 2HD PRO 96 -2.638 -11.805 -16.950 766 HD3 PRO 96 1HD PRO 96 -1.715 -13.318 -17.059 767 H GLU 97 H GLU 97 2.500 -9.810 -17.379 768 HA GLU 97 HA GLU 97 1.122 -7.270 -17.079 769 HB2 GLU 97 2HB GLU 97 2.630 -8.235 -14.962 770 HB3 GLU 97 1HB GLU 97 3.735 -7.147 -15.789 771 HG2 GLU 97 2HG GLU 97 1.042 -6.069 -15.403 772 HG3 GLU 97 1HG GLU 97 1.920 -6.406 -13.912 773 H LYS 98 H LYS 98 2.809 -5.433 -17.586 774 HA LYS 98 HA LYS 98 4.368 -6.330 -19.920 775 HB2 LYS 98 2HB LYS 98 2.406 -4.214 -19.586 776 HB3 LYS 98 1HB LYS 98 3.924 -3.595 -20.220 777 HG2 LYS 98 2HG LYS 98 3.089 -6.040 -21.543 778 HG3 LYS 98 1HG LYS 98 1.891 -4.752 -21.676 779 HD2 LYS 98 2HD LYS 98 4.159 -3.374 -22.195 780 HD3 LYS 98 1HD LYS 98 4.594 -4.960 -22.834 781 HE2 LYS 98 2HE LYS 98 2.131 -3.377 -23.565 782 HE3 LYS 98 1HE LYS 98 3.583 -3.537 -24.552 783 HZ1 LYS 98 3HZ LYS 98 1.711 -5.048 -25.161 784 HZ2 LYS 98 1HZ LYS 98 1.946 -5.853 -23.690 785 HZ3 LYS 98 2HZ LYS 98 3.176 -5.834 -24.852 786 H ALA 99 H ALA 99 6.375 -5.339 -20.330 787 HA ALA 99 HA ALA 99 7.475 -3.427 -18.483 788 HB1 ALA 99 1HB ALA 99 9.128 -4.755 -17.464 789 HB2 ALA 99 2HB ALA 99 8.824 -6.110 -18.552 790 HB3 ALA 99 3HB ALA 99 7.635 -5.684 -17.321 791 H SER 100 H SER 100 8.668 -2.123 -19.691 792 HA SER 100 HA SER 100 9.632 -2.991 -22.278 793 HB2 SER 100 2HB SER 100 9.572 -0.340 -20.848 794 HB3 SER 100 1HB SER 100 10.459 -0.552 -22.357 795 HG SER 100 HG SER 100 8.544 -0.039 -23.129 796 H ASN 101 H ASN 101 11.623 -3.671 -22.714 797 HA ASN 101 HA ASN 101 13.815 -2.927 -20.910 798 HB2 ASN 101 2HB ASN 101 12.852 -5.662 -21.573 799 HB3 ASN 101 1HB ASN 101 14.594 -5.420 -21.483 800 HD21 ASN 101 1HD2 ASN 101 15.553 -5.105 -19.535 801 HD22 ASN 101 2HD2 ASN 101 14.719 -5.209 -18.026 802 H MET 102 H MET 102 12.946 -4.456 -23.996 803 HA MET 102 HA MET 102 15.037 -2.913 -25.312 804 HB2 MET 102 2HB MET 102 15.049 -5.869 -25.005 805 HB3 MET 102 1HB MET 102 15.495 -5.231 -26.581 806 HG2 MET 102 2HG MET 102 17.431 -4.326 -25.826 807 HG3 MET 102 1HG MET 102 16.786 -4.009 -24.218 808 HE1 MET 102 3HE MET 102 19.123 -5.328 -22.746 809 HE2 MET 102 1HE MET 102 19.414 -4.613 -24.332 810 HE3 MET 102 2HE MET 102 20.000 -6.237 -23.977 811 H GLU 103 H GLU 103 13.783 -1.818 -26.693 812 HA GLU 103 HA GLU 103 12.063 -3.379 -28.497 813 HB2 GLU 103 2HB GLU 103 10.722 -2.146 -26.776 814 HB3 GLU 103 1HB GLU 103 11.376 -0.643 -27.414 815 HG2 GLU 103 2HG GLU 103 9.997 -0.645 -29.173 816 HG3 GLU 103 1HG GLU 103 10.171 -2.380 -29.435 817 H ASN 104 H ASN 104 13.531 -3.346 -30.173 818 HA ASN 104 HA ASN 104 14.270 -0.692 -31.213 819 HB2 ASN 104 2HB ASN 104 16.072 -2.447 -30.543 820 HB3 ASN 104 1HB ASN 104 15.623 -3.240 -32.051 821 HD21 ASN 104 1HD2 ASN 104 16.080 0.139 -31.062 822 HD22 ASN 104 2HD2 ASN 104 17.191 0.536 -32.326 823 H ASN 105 H ASN 105 14.008 -0.248 -33.407 824 HA ASN 105 HA ASN 105 12.431 -2.202 -34.941 825 HB2 ASN 105 2HB ASN 105 11.298 0.011 -33.878 826 HB3 ASN 105 1HB ASN 105 11.849 0.662 -35.417 827 HD21 ASN 105 1HD2 ASN 105 10.964 -0.109 -37.325 828 HD22 ASN 105 2HD2 ASN 105 9.505 -1.032 -37.357 829 H GLU 106 H GLU 106 14.423 0.732 -35.089 830 HA GLU 106 HA GLU 106 15.914 1.489 -36.630 831 HB2 GLU 106 2HB GLU 106 15.956 -1.464 -37.201 832 HB3 GLU 106 1HB GLU 106 16.934 -0.342 -38.136 833 HG2 GLU 106 2HG GLU 106 18.187 0.295 -36.239 834 HG3 GLU 106 1HG GLU 106 17.060 -0.499 -35.141 Start of MODEL 2 1 H1 GLY 1 1HT GLY 1 -39.025 -12.590 23.964 2 H2 GLY 1 2HT GLY 1 -38.409 -14.157 23.808 3 H3 GLY 1 3HT GLY 1 -37.563 -13.003 24.709 4 HA2 GLY 1 1HA GLY 1 -38.805 -13.278 26.535 5 HA3 GLY 1 2HA GLY 1 -40.278 -13.441 25.590 6 HA PRO 2 HA PRO 2 -38.294 -17.582 27.307 7 HB2 PRO 2 2HB PRO 2 -40.642 -17.326 29.127 8 HB3 PRO 2 1HB PRO 2 -39.033 -17.982 29.451 9 HG2 PRO 2 2HG PRO 2 -39.722 -15.575 30.355 10 HG3 PRO 2 1HG PRO 2 -38.089 -15.882 29.734 11 HD2 PRO 2 2HD PRO 2 -40.368 -14.441 28.453 12 HD3 PRO 2 1HD PRO 2 -38.627 -14.109 28.361 13 H GLY 3 H GLY 3 -39.532 -19.667 27.324 14 HA2 GLY 3 2HA GLY 3 -42.182 -19.897 26.456 15 HA3 GLY 3 1HA GLY 3 -41.157 -19.860 25.028 16 H SER 4 H SER 4 -38.928 -21.236 26.135 17 HA SER 4 HA SER 4 -39.696 -23.900 25.643 18 HB2 SER 4 2HB SER 4 -37.189 -22.651 26.754 19 HB3 SER 4 1HB SER 4 -37.356 -24.401 26.600 20 HG SER 4 HG SER 4 -37.146 -24.234 24.506 21 H LEU 5 H LEU 5 -39.443 -25.736 27.116 22 HA LEU 5 HA LEU 5 -40.110 -25.045 29.901 23 HB2 LEU 5 2HB LEU 5 -41.559 -26.693 27.958 24 HB3 LEU 5 1HB LEU 5 -41.310 -27.482 29.504 25 HG LEU 5 HG LEU 5 -42.622 -24.789 29.131 26 HD11 LEU 5 1HD1 LEU 5 -43.661 -27.552 29.160 27 HD12 LEU 5 2HD1 LEU 5 -44.303 -26.102 28.387 28 HD13 LEU 5 3HD1 LEU 5 -44.552 -26.365 30.113 29 HD21 LEU 5 3HD2 LEU 5 -41.625 -24.838 31.274 30 HD22 LEU 5 1HD2 LEU 5 -42.112 -26.512 31.543 31 HD23 LEU 5 2HD2 LEU 5 -43.327 -25.233 31.519 32 H SER 6 H SER 6 -38.908 -27.614 27.757 33 HA SER 6 HA SER 6 -36.680 -28.161 29.430 34 HB2 SER 6 2HB SER 6 -39.129 -29.590 30.003 35 HB3 SER 6 1HB SER 6 -37.864 -30.708 29.496 36 HG SER 6 HG SER 6 -38.106 -29.279 31.807 37 H ASN 7 H ASN 7 -35.617 -27.896 27.448 38 HA ASN 7 HA ASN 7 -36.058 -30.036 25.475 39 HB2 ASN 7 2HB ASN 7 -36.037 -27.343 25.035 40 HB3 ASN 7 1HB ASN 7 -34.360 -27.757 24.691 41 HD21 ASN 7 1HD2 ASN 7 -35.767 -26.797 22.667 42 HD22 ASN 7 2HD2 ASN 7 -36.189 -28.035 21.541 43 H PHE 8 H PHE 8 -34.587 -30.523 27.839 44 HA PHE 8 HA PHE 8 -31.785 -30.498 27.010 45 HB2 PHE 8 2HB PHE 8 -33.203 -30.970 29.604 46 HB3 PHE 8 1HB PHE 8 -31.573 -31.598 29.384 47 HD1 PHE 8 1HD PHE 8 -30.072 -29.646 28.061 48 HD2 PHE 8 2HD PHE 8 -33.229 -29.056 30.853 49 HE1 PHE 8 1HE PHE 8 -29.142 -27.443 28.642 50 HE2 PHE 8 2HE PHE 8 -32.306 -26.852 31.438 51 HZ PHE 8 HZ PHE 8 -30.259 -26.043 30.331 52 H ALA 9 H ALA 9 -30.655 -32.656 27.960 53 HA ALA 9 HA ALA 9 -30.235 -34.862 27.605 54 HB1 ALA 9 1HB ALA 9 -32.107 -35.346 28.993 55 HB2 ALA 9 2HB ALA 9 -32.203 -36.417 27.595 56 HB3 ALA 9 3HB ALA 9 -33.243 -34.995 27.690 57 H ASN 10 H ASN 10 -33.228 -34.759 25.710 58 HA ASN 10 HA ASN 10 -31.698 -35.607 23.365 59 HB2 ASN 10 2HB ASN 10 -33.904 -36.713 24.311 60 HB3 ASN 10 1HB ASN 10 -34.684 -35.441 23.375 61 HD21 ASN 10 1HD2 ASN 10 -33.857 -35.247 21.087 62 HD22 ASN 10 2HD2 ASN 10 -33.604 -36.727 20.231 63 H VAL 11 H VAL 11 -31.373 -34.337 21.647 64 HA VAL 11 HA VAL 11 -33.106 -32.064 21.129 65 HB VAL 11 HB VAL 11 -31.087 -30.542 20.894 66 HG11 VAL 11 1HG1 VAL 11 -32.809 -30.903 22.939 67 HG12 VAL 11 2HG1 VAL 11 -31.568 -29.650 22.909 68 HG13 VAL 11 3HG1 VAL 11 -31.274 -31.161 23.768 69 HG21 VAL 11 3HG2 VAL 11 -29.204 -31.165 22.480 70 HG22 VAL 11 1HG2 VAL 11 -29.269 -32.043 20.951 71 HG23 VAL 11 2HG2 VAL 11 -29.845 -32.807 22.433 72 H GLY 12 H GLY 12 -30.087 -33.713 20.218 73 HA2 GLY 12 2HA GLY 12 -29.253 -34.317 18.167 74 HA3 GLY 12 1HA GLY 12 -30.923 -34.336 17.618 75 H VAL 13 H VAL 13 -29.192 -33.632 15.768 76 HA VAL 13 HA VAL 13 -28.565 -30.848 15.713 77 HB VAL 13 HB VAL 13 -28.094 -31.252 13.285 78 HG11 VAL 13 1HG1 VAL 13 -26.272 -31.460 14.776 79 HG12 VAL 13 2HG1 VAL 13 -26.212 -32.882 13.736 80 HG13 VAL 13 3HG1 VAL 13 -26.845 -33.016 15.377 81 HG21 VAL 13 3HG2 VAL 13 -28.597 -33.176 12.219 82 HG22 VAL 13 1HG2 VAL 13 -29.831 -33.306 13.473 83 HG23 VAL 13 2HG2 VAL 13 -28.302 -34.169 13.646 84 H GLY 14 H GLY 14 -29.360 -29.409 13.924 85 HA2 GLY 14 2HA GLY 14 -31.685 -29.718 12.492 86 HA3 GLY 14 1HA GLY 14 -32.209 -29.211 14.090 87 H THR 15 H THR 15 -30.023 -27.491 14.671 88 HA THR 15 HA THR 15 -30.648 -25.291 12.821 89 HB THR 15 HB THR 15 -29.628 -25.134 15.664 90 HG1 THR 15 1HG THR 15 -32.237 -24.635 14.679 91 HG21 THR 15 3HG2 THR 15 -31.008 -22.804 14.880 92 HG22 THR 15 1HG2 THR 15 -29.803 -23.151 13.640 93 HG23 THR 15 2HG2 THR 15 -29.309 -22.979 15.324 94 H SER 16 H SER 16 -29.078 -24.347 11.670 95 HA SER 16 HA SER 16 -26.283 -24.958 12.363 96 HB2 SER 16 2HB SER 16 -27.281 -26.214 10.331 97 HB3 SER 16 1HB SER 16 -27.195 -24.654 9.511 98 HG SER 16 HG SER 16 -25.262 -25.500 9.086 99 H SER 17 H SER 17 -24.915 -23.272 12.395 100 HA SER 17 HA SER 17 -25.501 -20.836 10.948 101 HB2 SER 17 2HB SER 17 -25.167 -19.519 13.173 102 HB3 SER 17 1HB SER 17 -26.754 -20.195 12.811 103 HG SER 17 HG SER 17 -24.870 -20.980 14.714 104 H GLY 18 H GLY 18 -23.741 -19.152 11.421 105 HA2 GLY 18 2HA GLY 18 -21.306 -19.752 12.600 106 HA3 GLY 18 1HA GLY 18 -21.219 -20.382 10.962 107 H LYS 19 H LYS 19 -19.478 -18.431 11.789 108 HA LYS 19 HA LYS 19 -20.287 -16.211 10.062 109 HB2 LYS 19 2HB LYS 19 -19.211 -14.622 11.725 110 HB3 LYS 19 1HB LYS 19 -20.774 -15.283 12.182 111 HG2 LYS 19 2HG LYS 19 -19.872 -15.902 14.104 112 HG3 LYS 19 1HG LYS 19 -18.903 -17.075 13.211 113 HD2 LYS 19 2HD LYS 19 -17.030 -15.927 13.591 114 HD3 LYS 19 1HD LYS 19 -17.763 -14.423 13.032 115 HE2 LYS 19 2HE LYS 19 -18.476 -15.481 15.729 116 HE3 LYS 19 1HE LYS 19 -16.926 -14.671 15.505 117 HZ1 LYS 19 3HZ LYS 19 -19.318 -13.345 14.470 118 HZ2 LYS 19 1HZ LYS 19 -17.916 -12.675 15.140 119 HZ3 LYS 19 2HZ LYS 19 -19.094 -13.355 16.146 120 H GLN 20 H GLN 20 -18.288 -14.686 9.782 121 HA GLN 20 HA GLN 20 -15.882 -16.364 9.490 122 HB2 GLN 20 2HB GLN 20 -15.385 -15.087 7.414 123 HB3 GLN 20 1HB GLN 20 -16.844 -16.061 7.302 124 HG2 GLN 20 2HG GLN 20 -17.723 -13.588 8.213 125 HG3 GLN 20 1HG GLN 20 -16.496 -13.214 7.005 126 HE21 GLN 20 1HE2 GLN 20 -16.707 -14.557 4.956 127 HE22 GLN 20 2HE2 GLN 20 -18.305 -14.740 4.326 128 H LYS 21 H LYS 21 -13.852 -15.103 9.321 129 HA LYS 21 HA LYS 21 -13.890 -12.411 10.386 130 HB2 LYS 21 2HB LYS 21 -13.193 -14.773 12.017 131 HB3 LYS 21 1HB LYS 21 -12.063 -13.430 12.111 132 HG2 LYS 21 2HG LYS 21 -14.127 -11.979 12.565 133 HG3 LYS 21 1HG LYS 21 -14.956 -13.506 12.879 134 HD2 LYS 21 2HD LYS 21 -13.610 -13.997 14.722 135 HD3 LYS 21 1HD LYS 21 -12.355 -12.859 14.225 136 HE2 LYS 21 2HE LYS 21 -13.679 -12.076 16.166 137 HE3 LYS 21 1HE LYS 21 -13.757 -10.987 14.781 138 HZ1 LYS 21 3HZ LYS 21 -15.928 -11.347 15.833 139 HZ2 LYS 21 1HZ LYS 21 -15.831 -12.998 15.471 140 HZ3 LYS 21 2HZ LYS 21 -15.912 -11.861 14.220 141 H ARG 22 H ARG 22 -12.499 -11.350 9.153 142 HA ARG 22 HA ARG 22 -10.389 -12.734 7.750 143 HB2 ARG 22 2HB ARG 22 -11.543 -9.982 7.701 144 HB3 ARG 22 1HB ARG 22 -9.920 -10.216 7.066 145 HG2 ARG 22 2HG ARG 22 -11.894 -12.155 6.103 146 HG3 ARG 22 1HG ARG 22 -12.204 -10.484 5.631 147 HD2 ARG 22 2HD ARG 22 -10.056 -10.297 4.609 148 HD3 ARG 22 1HD ARG 22 -9.546 -11.850 5.269 149 HE ARG 22 HE ARG 22 -10.555 -12.870 3.498 150 HH11 ARG 22 1HH1 ARG 22 -11.908 -9.673 3.838 151 HH12 ARG 22 2HH1 ARG 22 -12.855 -9.784 2.393 152 HH21 ARG 22 1HH2 ARG 22 -11.800 -13.019 1.597 153 HH22 ARG 22 2HH2 ARG 22 -12.795 -11.684 1.121 154 H TYR 23 H TYR 23 -8.269 -11.174 7.621 155 HA TYR 23 HA TYR 23 -7.442 -10.189 10.197 156 HB2 TYR 23 2HB TYR 23 -7.162 -12.879 9.896 157 HB3 TYR 23 1HB TYR 23 -5.612 -12.316 9.281 158 HD1 TYR 23 2HD TYR 23 -7.891 -11.868 12.206 159 HD2 TYR 23 1HD TYR 23 -3.884 -11.936 10.776 160 HE1 TYR 23 2HE TYR 23 -7.069 -11.631 14.512 161 HE2 TYR 23 1HE TYR 23 -3.052 -11.700 13.077 162 HH TYR 23 HH TYR 23 -3.890 -12.197 15.397 163 H LYS 24 H LYS 24 -6.327 -8.428 9.718 164 HA LYS 24 HA LYS 24 -4.942 -6.948 8.680 165 HB2 LYS 24 2HB LYS 24 -3.625 -9.581 8.271 166 HB3 LYS 24 1HB LYS 24 -3.043 -8.239 7.294 167 HG2 LYS 24 2HG LYS 24 -1.902 -7.403 8.997 168 HG3 LYS 24 1HG LYS 24 -3.323 -7.433 10.040 169 HD2 LYS 24 2HD LYS 24 -2.250 -10.092 9.603 170 HD3 LYS 24 1HD LYS 24 -1.042 -9.003 10.287 171 HE2 LYS 24 2HE LYS 24 -3.804 -9.497 11.397 172 HE3 LYS 24 1HE LYS 24 -2.303 -10.171 12.032 173 HZ1 LYS 24 3HZ LYS 24 -1.782 -8.257 13.045 174 HZ2 LYS 24 1HZ LYS 24 -3.427 -7.896 12.892 175 HZ3 LYS 24 2HZ LYS 24 -2.320 -7.292 11.765 176 H PHE 25 H PHE 25 -6.993 -6.661 7.406 177 HA PHE 25 HA PHE 25 -7.340 -7.611 4.817 178 HB2 PHE 25 2HB PHE 25 -8.719 -5.913 6.423 179 HB3 PHE 25 1HB PHE 25 -8.028 -4.771 5.278 180 HD1 PHE 25 1HD PHE 25 -8.495 -5.070 2.832 181 HD2 PHE 25 2HD PHE 25 -10.548 -7.262 5.847 182 HE1 PHE 25 1HE PHE 25 -10.280 -5.600 1.226 183 HE2 PHE 25 2HE PHE 25 -12.337 -7.795 4.246 184 HZ PHE 25 HZ PHE 25 -12.204 -6.965 1.931 185 H SER 26 H SER 26 -7.006 -6.388 2.775 186 HA SER 26 HA SER 26 -4.320 -5.798 2.335 187 HB2 SER 26 2HB SER 26 -6.356 -6.292 0.688 188 HB3 SER 26 1HB SER 26 -6.357 -4.533 0.562 189 HG SER 26 HG SER 26 -4.067 -6.162 0.173 190 H ALA 27 H ALA 27 -6.412 -3.999 4.128 191 HA ALA 27 HA ALA 27 -4.856 -1.555 3.673 192 HB1 ALA 27 1HB ALA 27 -7.778 -1.908 3.553 193 HB2 ALA 27 2HB ALA 27 -6.744 -0.705 2.781 194 HB3 ALA 27 3HB ALA 27 -7.212 -0.513 4.470 195 H SER 28 H SER 28 -6.126 -3.878 5.841 196 HA SER 28 HA SER 28 -6.492 -2.533 8.207 197 HB2 SER 28 2HB SER 28 -5.358 -5.249 7.598 198 HB3 SER 28 1HB SER 28 -5.461 -4.673 9.261 199 HG SER 28 HG SER 28 -7.695 -4.612 7.534 200 H GLU 29 H GLU 29 -3.525 -3.149 6.501 201 HA GLU 29 HA GLU 29 -1.666 -2.763 8.552 202 HB2 GLU 29 2HB GLU 29 -0.985 -3.572 6.374 203 HB3 GLU 29 1HB GLU 29 -1.472 -2.061 5.619 204 HG2 GLU 29 2HG GLU 29 0.370 -1.490 7.716 205 HG3 GLU 29 1HG GLU 29 1.040 -2.757 6.693 206 H ASP 30 H ASP 30 -3.046 -0.384 6.287 207 HA ASP 30 HA ASP 30 -1.747 1.880 7.242 208 HB2 ASP 30 2HB ASP 30 -3.305 1.551 5.178 209 HB3 ASP 30 1HB ASP 30 -4.590 2.016 6.289 210 H GLU 31 H GLU 31 -4.668 0.290 8.389 211 HA GLU 31 HA GLU 31 -5.524 2.282 10.175 212 HB2 GLU 31 2HB GLU 31 -6.885 0.317 9.470 213 HB3 GLU 31 1HB GLU 31 -5.860 -0.710 10.463 214 HG2 GLU 31 2HG GLU 31 -6.715 1.351 12.147 215 HG3 GLU 31 1HG GLU 31 -8.131 0.876 11.210 216 H ALA 32 H ALA 32 -3.140 -0.269 10.447 217 HA ALA 32 HA ALA 32 -2.741 -0.007 13.256 218 HB1 ALA 32 1HB ALA 32 -1.961 -2.038 12.585 219 HB2 ALA 32 2HB ALA 32 -0.452 -1.130 12.499 220 HB3 ALA 32 3HB ALA 32 -1.386 -1.429 11.032 221 H ILE 33 H ILE 33 -1.345 1.470 10.393 222 HA ILE 33 HA ILE 33 0.830 2.727 11.714 223 HB ILE 33 HB ILE 33 -0.445 3.904 9.271 224 HG12 ILE 33 2HG1 ILE 33 1.261 1.412 9.408 225 HG13 ILE 33 1HG1 ILE 33 -0.366 1.555 8.757 226 HG21 ILE 33 1HG2 ILE 33 1.381 5.157 9.293 227 HG22 ILE 33 2HG2 ILE 33 2.387 3.715 9.167 228 HG23 ILE 33 3HG2 ILE 33 1.933 4.337 10.753 229 HD11 ILE 33 3HD1 ILE 33 2.010 1.697 7.347 230 HD12 ILE 33 1HD1 ILE 33 1.445 3.365 7.432 231 HD13 ILE 33 2HD1 ILE 33 0.402 2.112 6.758 232 H ILE 34 H ILE 34 -2.420 3.825 10.826 233 HA ILE 34 HA ILE 34 -2.139 6.460 11.750 234 HB ILE 34 HB ILE 34 -4.628 6.485 11.910 235 HG12 ILE 34 2HG1 ILE 34 -4.386 3.618 10.982 236 HG13 ILE 34 1HG1 ILE 34 -4.896 4.115 12.591 237 HG21 ILE 34 1HG2 ILE 34 -4.125 5.206 9.305 238 HG22 ILE 34 2HG2 ILE 34 -3.055 6.545 9.726 239 HG23 ILE 34 3HG2 ILE 34 -4.801 6.792 9.685 240 HD11 ILE 34 3HD1 ILE 34 -6.787 3.513 11.176 241 HD12 ILE 34 1HD1 ILE 34 -6.327 4.768 10.026 242 HD13 ILE 34 2HD1 ILE 34 -6.847 5.211 11.652 243 H LYS 35 H LYS 35 -3.132 3.493 13.376 244 HA LYS 35 HA LYS 35 -3.827 4.747 15.837 245 HB2 LYS 35 2HB LYS 35 -4.359 2.334 14.908 246 HB3 LYS 35 1HB LYS 35 -2.860 1.918 15.727 247 HG2 LYS 35 2HG LYS 35 -4.154 1.574 17.508 248 HG3 LYS 35 1HG LYS 35 -4.169 3.333 17.654 249 HD2 LYS 35 2HD LYS 35 -6.152 2.579 15.757 250 HD3 LYS 35 1HD LYS 35 -6.352 1.572 17.192 251 HE2 LYS 35 2HE LYS 35 -5.951 4.007 18.316 252 HE3 LYS 35 1HE LYS 35 -6.777 4.458 16.825 253 HZ1 LYS 35 3HZ LYS 35 -8.320 2.463 17.618 254 HZ2 LYS 35 1HZ LYS 35 -8.581 4.066 18.097 255 HZ3 LYS 35 2HZ LYS 35 -7.778 2.992 19.131 256 H GLY 36 H GLY 36 -0.913 3.234 14.563 257 HA2 GLY 36 2HA GLY 36 0.635 3.358 16.916 258 HA3 GLY 36 1HA GLY 36 1.267 3.270 15.275 259 H LEU 37 H LEU 37 0.345 5.607 14.184 260 HA LEU 37 HA LEU 37 2.230 7.480 15.092 261 HB2 LEU 37 2HB LEU 37 -0.213 7.877 13.361 262 HB3 LEU 37 1HB LEU 37 1.055 9.067 13.579 263 HG LEU 37 HG LEU 37 1.869 6.377 12.613 264 HD11 LEU 37 1HD1 LEU 37 -0.025 8.125 11.214 265 HD12 LEU 37 2HD1 LEU 37 0.333 6.415 10.977 266 HD13 LEU 37 3HD1 LEU 37 1.380 7.641 10.264 267 HD21 LEU 37 3HD2 LEU 37 3.509 7.644 11.407 268 HD22 LEU 37 1HD2 LEU 37 3.463 8.230 13.071 269 HD23 LEU 37 2HD2 LEU 37 2.687 9.157 11.787 270 H ALA 38 H ALA 38 -1.201 7.077 15.759 271 HA ALA 38 HA ALA 38 -1.698 9.529 17.006 272 HB1 ALA 38 1HB ALA 38 -3.007 6.924 16.845 273 HB2 ALA 38 2HB ALA 38 -3.696 8.546 16.800 274 HB3 ALA 38 3HB ALA 38 -3.331 7.788 18.349 275 H ARG 39 H ARG 39 -0.241 6.576 18.223 276 HA ARG 39 HA ARG 39 -0.035 7.762 20.896 277 HB2 ARG 39 2HB ARG 39 -0.185 5.029 19.856 278 HB3 ARG 39 1HB ARG 39 1.052 5.239 21.087 279 HG2 ARG 39 2HG ARG 39 -0.448 5.399 22.725 280 HG3 ARG 39 1HG ARG 39 -1.481 6.487 21.795 281 HD2 ARG 39 2HD ARG 39 -2.385 4.574 20.567 282 HD3 ARG 39 1HD ARG 39 -1.349 3.488 21.494 283 HE ARG 39 HE ARG 39 -2.741 4.774 23.413 284 HH11 ARG 39 1HH1 ARG 39 -3.706 3.080 20.518 285 HH12 ARG 39 2HH1 ARG 39 -5.231 2.577 21.171 286 HH21 ARG 39 1HH2 ARG 39 -4.744 4.114 24.272 287 HH22 ARG 39 2HH2 ARG 39 -5.820 3.166 23.301 288 H PHE 40 H PHE 40 1.849 7.007 18.111 289 HA PHE 40 HA PHE 40 4.331 7.487 19.615 290 HB2 PHE 40 2HB PHE 40 3.778 6.083 17.011 291 HB3 PHE 40 1HB PHE 40 5.399 6.609 17.447 292 HD1 PHE 40 1HD PHE 40 2.578 4.877 19.176 293 HD2 PHE 40 2HD PHE 40 6.730 4.933 18.249 294 HE1 PHE 40 1HE PHE 40 2.891 2.811 20.475 295 HE2 PHE 40 2HE PHE 40 7.051 2.866 19.543 296 HZ PHE 40 HZ PHE 40 5.130 1.802 20.658 297 H THR 41 H THR 41 5.337 9.365 19.381 298 HA THR 41 HA THR 41 5.571 10.760 16.936 299 HB THR 41 HB THR 41 4.310 12.845 18.069 300 HG1 THR 41 1HG THR 41 2.487 12.181 19.124 301 HG21 THR 41 3HG2 THR 41 3.876 11.430 15.845 302 HG22 THR 41 1HG2 THR 41 2.788 12.693 16.420 303 HG23 THR 41 2HG2 THR 41 2.428 10.999 16.756 304 H LYS 42 H LYS 42 7.333 9.858 18.910 305 HA LYS 42 HA LYS 42 8.277 12.355 20.149 306 HB2 LYS 42 2HB LYS 42 8.667 9.465 20.899 307 HB3 LYS 42 1HB LYS 42 9.699 10.735 21.543 308 HG2 LYS 42 2HG LYS 42 6.971 11.509 21.861 309 HG3 LYS 42 1HG LYS 42 7.189 9.875 22.490 310 HD2 LYS 42 2HD LYS 42 7.647 11.288 24.310 311 HD3 LYS 42 1HD LYS 42 9.232 10.799 23.708 312 HE2 LYS 42 2HE LYS 42 8.848 13.023 22.245 313 HE3 LYS 42 1HE LYS 42 7.922 13.446 23.684 314 HZ1 LYS 42 3HZ LYS 42 10.097 14.201 24.061 315 HZ2 LYS 42 1HZ LYS 42 10.799 12.765 23.508 316 HZ3 LYS 42 2HZ LYS 42 9.963 12.787 24.979 317 H GLY 43 H GLY 43 8.824 12.296 17.550 318 HA2 GLY 43 2HA GLY 43 11.672 12.319 17.481 319 HA3 GLY 43 1HA GLY 43 11.036 10.938 16.599 320 H GLN 44 H GLN 44 12.433 12.479 15.065 321 HA GLN 44 HA GLN 44 10.968 14.678 13.942 322 HB2 GLN 44 2HB GLN 44 13.599 13.436 13.573 323 HB3 GLN 44 1HB GLN 44 12.890 14.038 12.082 324 HG2 GLN 44 2HG GLN 44 14.280 15.732 13.062 325 HG3 GLN 44 1HG GLN 44 12.593 16.238 13.131 326 HE21 GLN 44 1HE2 GLN 44 15.005 14.515 15.079 327 HE22 GLN 44 2HE2 GLN 44 14.531 15.205 16.590 328 H GLN 45 H GLN 45 11.336 11.274 13.264 329 HA GLN 45 HA GLN 45 9.418 11.564 11.048 330 HB2 GLN 45 2HB GLN 45 11.563 9.446 11.143 331 HB3 GLN 45 1HB GLN 45 10.522 9.867 9.792 332 HG2 GLN 45 2HG GLN 45 12.426 11.873 10.922 333 HG3 GLN 45 1HG GLN 45 12.979 10.644 9.785 334 HE21 GLN 45 1HE2 GLN 45 13.503 12.480 8.435 335 HE22 GLN 45 2HE2 GLN 45 12.270 13.190 7.453 336 H ARG 46 H ARG 46 7.866 11.197 12.812 337 HA ARG 46 HA ARG 46 7.763 8.865 14.347 338 HB2 ARG 46 2HB ARG 46 5.246 9.355 14.384 339 HB3 ARG 46 1HB ARG 46 6.324 10.594 15.010 340 HG2 ARG 46 2HG ARG 46 5.830 12.054 13.359 341 HG3 ARG 46 1HG ARG 46 5.633 10.787 12.147 342 HD2 ARG 46 2HD ARG 46 3.430 10.888 12.386 343 HD3 ARG 46 1HD ARG 46 3.584 10.482 14.093 344 HE ARG 46 HE ARG 46 4.145 13.162 13.938 345 HH11 ARG 46 1HH1 ARG 46 1.448 11.122 13.071 346 HH12 ARG 46 2HH1 ARG 46 0.267 12.363 13.322 347 HH21 ARG 46 1HH2 ARG 46 2.592 14.795 14.270 348 HH22 ARG 46 2HH2 ARG 46 0.916 14.449 14.002 349 H PHE 47 H PHE 47 6.977 9.423 11.012 350 HA PHE 47 HA PHE 47 5.284 7.200 10.593 351 HB2 PHE 47 2HB PHE 47 7.115 8.429 8.533 352 HB3 PHE 47 1HB PHE 47 5.588 7.596 8.259 353 HD1 PHE 47 1HD PHE 47 3.512 8.690 9.449 354 HD2 PHE 47 2HD PHE 47 7.136 10.724 8.532 355 HE1 PHE 47 1HE PHE 47 2.324 10.843 9.544 356 HE2 PHE 47 2HE PHE 47 5.954 12.881 8.626 357 HZ PHE 47 HZ PHE 47 3.546 12.941 9.133 358 H GLN 48 H GLN 48 8.787 7.627 10.227 359 HA GLN 48 HA GLN 48 9.248 4.987 9.279 360 HB2 GLN 48 2HB GLN 48 10.830 7.339 9.906 361 HB3 GLN 48 1HB GLN 48 11.625 5.871 10.457 362 HG2 GLN 48 2HG GLN 48 11.251 4.945 8.143 363 HG3 GLN 48 1HG GLN 48 10.773 6.573 7.666 364 HE21 GLN 48 1HE2 GLN 48 12.855 5.413 6.406 365 HE22 GLN 48 2HE2 GLN 48 14.341 6.157 6.874 366 H GLN 49 H GLN 49 9.668 6.530 12.457 367 HA GLN 49 HA GLN 49 10.631 4.290 13.826 368 HB2 GLN 49 2HB GLN 49 10.348 6.828 14.525 369 HB3 GLN 49 1HB GLN 49 8.853 6.233 15.232 370 HG2 GLN 49 2HG GLN 49 9.942 5.448 16.985 371 HG3 GLN 49 1HG GLN 49 10.991 4.483 15.949 372 HE21 GLN 49 1HE2 GLN 49 13.063 5.054 15.741 373 HE22 GLN 49 2HE2 GLN 49 13.767 6.493 16.389 374 H ILE 50 H ILE 50 7.298 5.514 13.551 375 HA ILE 50 HA ILE 50 6.091 3.463 15.046 376 HB ILE 50 HB ILE 50 5.035 5.659 14.369 377 HG12 ILE 50 2HG1 ILE 50 3.801 3.737 15.397 378 HG13 ILE 50 1HG1 ILE 50 2.801 4.783 14.398 379 HG21 ILE 50 1HG2 ILE 50 5.632 5.373 11.937 380 HG22 ILE 50 2HG2 ILE 50 3.987 5.913 12.269 381 HG23 ILE 50 3HG2 ILE 50 4.292 4.231 11.830 382 HD11 ILE 50 3HD1 ILE 50 2.073 2.880 13.499 383 HD12 ILE 50 1HD1 ILE 50 3.454 1.959 14.095 384 HD13 ILE 50 2HD1 ILE 50 3.593 2.893 12.605 385 H TYR 51 H TYR 51 6.893 3.747 11.639 386 HA TYR 51 HA TYR 51 5.513 1.588 10.595 387 HB2 TYR 51 2HB TYR 51 6.655 3.129 9.141 388 HB3 TYR 51 1HB TYR 51 8.212 2.715 9.846 389 HD1 TYR 51 1HD TYR 51 5.422 0.575 8.581 390 HD2 TYR 51 2HD TYR 51 9.498 1.731 8.199 391 HE1 TYR 51 1HE TYR 51 5.742 -1.148 6.855 392 HE2 TYR 51 2HE TYR 51 9.830 0.012 6.470 393 HH TYR 51 HH TYR 51 7.272 -1.589 4.955 394 H TYR 52 H TYR 52 8.809 1.630 11.902 395 HA TYR 52 HA TYR 52 9.213 -1.164 11.652 396 HB2 TYR 52 2HB TYR 52 10.611 0.943 13.302 397 HB3 TYR 52 1HB TYR 52 11.130 -0.738 13.253 398 HD1 TYR 52 2HD TYR 52 11.211 -1.616 10.635 399 HD2 TYR 52 1HD TYR 52 11.872 2.357 12.006 400 HE1 TYR 52 2HE TYR 52 12.540 -1.147 8.619 401 HE2 TYR 52 1HE TYR 52 13.202 2.837 9.995 402 HH TYR 52 HH TYR 52 13.505 2.028 7.752 403 H ALA 53 H ALA 53 7.790 0.845 14.123 404 HA ALA 53 HA ALA 53 7.936 -1.023 16.246 405 HB1 ALA 53 1HB ALA 53 7.304 1.579 16.124 406 HB2 ALA 53 2HB ALA 53 6.874 0.540 17.483 407 HB3 ALA 53 3HB ALA 53 5.687 0.884 16.225 408 H TYR 54 H TYR 54 5.267 -0.149 14.072 409 HA TYR 54 HA TYR 54 3.623 -2.288 15.057 410 HB2 TYR 54 2HB TYR 54 1.906 -1.345 13.884 411 HB3 TYR 54 1HB TYR 54 2.966 0.054 13.987 412 HD1 TYR 54 2HD TYR 54 1.785 -2.651 11.764 413 HD2 TYR 54 1HD TYR 54 3.902 1.029 12.026 414 HE1 TYR 54 2HE TYR 54 1.750 -2.464 9.312 415 HE2 TYR 54 1HE TYR 54 3.869 1.229 9.575 416 HH TYR 54 HH TYR 54 3.635 -0.166 7.616 417 H ARG 55 H ARG 55 6.256 -2.357 13.108 418 HA ARG 55 HA ARG 55 5.584 -3.851 10.880 419 HB2 ARG 55 2HB ARG 55 7.907 -2.939 11.908 420 HB3 ARG 55 1HB ARG 55 8.066 -4.650 12.282 421 HG2 ARG 55 2HG ARG 55 7.852 -5.241 9.973 422 HG3 ARG 55 1HG ARG 55 7.464 -3.576 9.536 423 HD2 ARG 55 2HD ARG 55 9.737 -3.900 8.967 424 HD3 ARG 55 1HD ARG 55 9.727 -2.934 10.441 425 HE ARG 55 HE ARG 55 9.943 -5.461 11.372 426 HH11 ARG 55 1HH1 ARG 55 11.718 -3.652 8.972 427 HH12 ARG 55 2HH1 ARG 55 13.203 -4.498 9.253 428 HH21 ARG 55 1HH2 ARG 55 11.895 -6.573 11.743 429 HH22 ARG 55 2HH2 ARG 55 13.304 -6.157 10.826 430 H SER 56 H SER 56 3.979 -5.349 11.298 431 HA SER 56 HA SER 56 4.814 -7.942 12.011 432 HB2 SER 56 2HB SER 56 3.691 -8.309 14.090 433 HB3 SER 56 1HB SER 56 4.670 -6.857 14.298 434 HG SER 56 HG SER 56 2.694 -6.339 15.086 435 H VAL 57 H VAL 57 2.088 -5.705 11.783 436 HA VAL 57 HA VAL 57 0.126 -7.639 11.153 437 HB VAL 57 HB VAL 57 -1.212 -5.747 10.298 438 HG11 VAL 57 1HG1 VAL 57 -0.027 -4.648 12.776 439 HG12 VAL 57 2HG1 VAL 57 -0.631 -6.302 12.844 440 HG13 VAL 57 3HG1 VAL 57 -1.710 -4.988 12.376 441 HG21 VAL 57 3HG2 VAL 57 0.230 -4.289 9.230 442 HG22 VAL 57 1HG2 VAL 57 1.405 -4.323 10.545 443 HG23 VAL 57 2HG2 VAL 57 -0.106 -3.435 10.736 444 H TRP 58 H TRP 58 2.176 -5.564 9.135 445 HA TRP 58 HA TRP 58 1.155 -6.804 6.719 446 HB2 TRP 58 2HB TRP 58 2.042 -4.282 7.239 447 HB3 TRP 58 1HB TRP 58 3.477 -4.997 6.519 448 HD1 TRP 58 HD TRP 58 2.245 -2.719 4.936 449 HE1 TRP 58 1HE TRP 58 1.104 -3.070 2.661 450 HE3 TRP 58 3HE TRP 58 1.135 -7.710 5.317 451 HZ2 TRP 58 2HZ TRP 58 -0.101 -5.163 1.216 452 HZ3 TRP 58 3HZ TRP 58 -0.012 -8.801 3.439 453 HH2 TRP 58 HH TRP 58 -0.618 -7.554 1.431 454 H HIS 59 H HIS 59 3.536 -6.708 5.170 455 HA HIS 59 HA HIS 59 4.861 -9.106 6.186 456 HB2 HIS 59 2HB HIS 59 4.014 -8.274 3.619 457 HB3 HIS 59 1HB HIS 59 5.773 -8.333 3.572 458 HD1 HIS 59 1HD HIS 59 3.684 -10.723 5.601 459 HD2 HIS 59 2HD HIS 59 5.954 -10.676 2.121 460 HE1 HIS 59 1HE HIS 59 3.881 -13.128 4.894 461 HE2 HIS 59 2HE HIS 59 5.330 -13.082 2.833 462 HA PRO 60 HA PRO 60 8.207 -6.354 7.441 463 HB2 PRO 60 2HB PRO 60 9.806 -8.317 8.457 464 HB3 PRO 60 1HB PRO 60 8.448 -7.610 9.339 465 HG2 PRO 60 2HG PRO 60 8.575 -10.172 7.798 466 HG3 PRO 60 1HG PRO 60 7.827 -9.848 9.373 467 HD2 PRO 60 2HD PRO 60 6.377 -10.001 7.108 468 HD3 PRO 60 1HD PRO 60 5.948 -8.891 8.426 469 H ALA 61 H ALA 61 9.369 -5.588 5.782 470 HA ALA 61 HA ALA 61 11.589 -7.068 4.781 471 HB1 ALA 61 1HB ALA 61 9.294 -6.554 2.897 472 HB2 ALA 61 2HB ALA 61 9.945 -8.119 3.379 473 HB3 ALA 61 3HB ALA 61 10.915 -7.027 2.392 474 H ARG 62 H ARG 62 10.940 -4.486 6.041 475 HA ARG 62 HA ARG 62 11.457 -2.270 5.905 476 HB2 ARG 62 2HB ARG 62 13.537 -3.156 3.906 477 HB3 ARG 62 1HB ARG 62 13.606 -1.769 4.986 478 HG2 ARG 62 2HG ARG 62 13.293 -3.861 6.728 479 HG3 ARG 62 1HG ARG 62 14.311 -4.554 5.464 480 HD2 ARG 62 2HD ARG 62 15.608 -2.277 5.739 481 HD3 ARG 62 1HD ARG 62 14.860 -2.304 7.335 482 HE ARG 62 HE ARG 62 15.956 -4.778 7.089 483 HH11 ARG 62 1HH1 ARG 62 17.204 -1.536 6.763 484 HH12 ARG 62 2HH1 ARG 62 18.800 -1.963 7.277 485 HH21 ARG 62 1HH2 ARG 62 18.056 -5.342 7.769 486 HH22 ARG 62 2HH2 ARG 62 19.285 -4.125 7.847 487 H THR 63 H THR 63 9.721 -1.280 4.965 488 HA THR 63 HA THR 63 10.037 -0.538 2.158 489 HB THR 63 HB THR 63 7.255 -1.163 2.895 490 HG1 THR 63 1HG THR 63 7.617 -3.137 3.447 491 HG21 THR 63 3HG2 THR 63 8.915 -1.904 0.499 492 HG22 THR 63 1HG2 THR 63 7.864 -0.494 0.628 493 HG23 THR 63 2HG2 THR 63 7.173 -2.117 0.671 494 H VAL 64 H VAL 64 10.700 1.262 3.880 495 HA VAL 64 HA VAL 64 8.717 2.775 5.146 496 HB VAL 64 HB VAL 64 11.359 3.670 3.978 497 HG11 VAL 64 1HG1 VAL 64 11.140 5.659 5.399 498 HG12 VAL 64 2HG1 VAL 64 9.512 5.151 5.849 499 HG13 VAL 64 3HG1 VAL 64 9.869 5.586 4.177 500 HG21 VAL 64 3HG2 VAL 64 12.186 3.516 6.233 501 HG22 VAL 64 1HG2 VAL 64 11.442 1.979 5.791 502 HG23 VAL 64 2HG2 VAL 64 10.580 3.109 6.836 503 H SER 65 H SER 65 9.903 2.781 1.837 504 HA SER 65 HA SER 65 8.646 5.093 0.900 505 HB2 SER 65 2HB SER 65 10.245 3.235 -0.251 506 HB3 SER 65 1HB SER 65 8.690 2.761 -0.933 507 HG SER 65 HG SER 65 8.577 4.609 -2.009 508 H GLN 66 H GLN 66 7.500 1.782 1.260 509 HA GLN 66 HA GLN 66 4.965 2.122 0.079 510 HB2 GLN 66 2HB GLN 66 6.312 0.118 1.710 511 HB3 GLN 66 1HB GLN 66 4.608 0.256 2.118 512 HG2 GLN 66 2HG GLN 66 5.460 0.012 -0.734 513 HG3 GLN 66 1HG GLN 66 5.351 -1.414 0.296 514 HE21 GLN 66 1HE2 GLN 66 3.553 1.263 -1.076 515 HE22 GLN 66 2HE2 GLN 66 1.995 0.529 -0.953 516 H LEU 67 H LEU 67 6.212 2.705 3.306 517 HA LEU 67 HA LEU 67 3.856 3.171 4.703 518 HB2 LEU 67 2HB LEU 67 6.346 3.156 5.479 519 HB3 LEU 67 1HB LEU 67 6.286 4.872 5.126 520 HG LEU 67 HG LEU 67 5.900 4.467 7.492 521 HD11 LEU 67 1HD1 LEU 67 4.724 6.315 6.262 522 HD12 LEU 67 2HD1 LEU 67 3.962 5.803 7.767 523 HD13 LEU 67 3HD1 LEU 67 3.298 5.278 6.217 524 HD21 LEU 67 3HD2 LEU 67 3.397 2.990 6.724 525 HD22 LEU 67 1HD2 LEU 67 4.109 3.170 8.328 526 HD23 LEU 67 2HD2 LEU 67 4.911 2.175 7.113 527 H TYR 68 H TYR 68 5.859 5.447 2.886 528 HA TYR 68 HA TYR 68 4.182 7.684 3.259 529 HB2 TYR 68 2HB TYR 68 6.120 7.072 1.013 530 HB3 TYR 68 1HB TYR 68 5.391 8.645 1.314 531 HD1 TYR 68 1HD TYR 68 5.932 7.323 4.473 532 HD2 TYR 68 2HD TYR 68 8.091 8.920 1.169 533 HE1 TYR 68 1HE TYR 68 7.792 7.897 5.971 534 HE2 TYR 68 2HE TYR 68 9.956 9.496 2.661 535 HH TYR 68 HH TYR 68 10.848 8.697 4.889 536 H ASP 69 H ASP 69 4.110 4.969 1.087 537 HA ASP 69 HA ASP 69 2.370 6.038 -0.859 538 HB2 ASP 69 2HB ASP 69 3.599 3.506 -0.296 539 HB3 ASP 69 1HB ASP 69 1.900 3.258 -0.687 540 H HIS 70 H HIS 70 1.707 4.023 2.006 541 HA HIS 70 HA HIS 70 -1.133 4.195 1.589 542 HB2 HIS 70 2HB HIS 70 -0.448 3.550 4.330 543 HB3 HIS 70 1HB HIS 70 -1.290 2.577 3.133 544 HD1 HIS 70 1HD HIS 70 1.839 2.845 4.959 545 HD2 HIS 70 2HD HIS 70 0.524 1.005 1.476 546 HE1 HIS 70 1HE HIS 70 3.587 1.136 4.409 547 HE2 HIS 70 2HE HIS 70 2.687 -0.080 2.389 548 H TRP 71 H TRP 71 1.277 5.910 3.407 549 HA TRP 71 HA TRP 71 -0.530 7.414 5.008 550 HB2 TRP 71 2HB TRP 71 1.902 7.010 5.526 551 HB3 TRP 71 1HB TRP 71 2.302 8.143 4.238 552 HD1 TRP 71 HD TRP 71 2.997 10.366 5.288 553 HE1 TRP 71 1HE TRP 71 2.157 11.841 7.221 554 HE3 TRP 71 3HE TRP 71 -0.766 7.368 7.020 555 HZ2 TRP 71 2HZ TRP 71 0.162 11.747 9.219 556 HZ3 TRP 71 3HZ TRP 71 -2.092 8.134 8.947 557 HH2 TRP 71 HH TRP 71 -1.635 10.277 10.022 558 H ARG 72 H ARG 72 0.826 7.772 1.804 559 HA ARG 72 HA ARG 72 0.126 10.523 1.483 560 HB2 ARG 72 2HB ARG 72 1.115 8.343 -0.275 561 HB3 ARG 72 1HB ARG 72 0.274 9.674 -1.057 562 HG2 ARG 72 2HG ARG 72 1.852 11.239 0.078 563 HG3 ARG 72 1HG ARG 72 2.756 9.829 0.636 564 HD2 ARG 72 2HD ARG 72 2.685 9.200 -1.922 565 HD3 ARG 72 1HD ARG 72 2.456 10.937 -2.112 566 HE ARG 72 HE ARG 72 4.593 10.780 -0.466 567 HH11 ARG 72 1HH1 ARG 72 3.849 9.311 -3.542 568 HH12 ARG 72 2HH1 ARG 72 5.504 9.235 -4.048 569 HH21 ARG 72 1HH2 ARG 72 6.770 10.682 -1.129 570 HH22 ARG 72 2HH2 ARG 72 7.161 10.014 -2.678 571 H GLY 73 H GLY 73 -1.319 7.464 0.440 572 HA2 GLY 73 2HA GLY 73 -3.555 8.580 -0.867 573 HA3 GLY 73 1HA GLY 73 -3.449 6.939 -0.245 574 H THR 74 H THR 74 -2.950 7.803 2.498 575 HA THR 74 HA THR 74 -5.672 8.070 3.327 576 HB THR 74 HB THR 74 -3.136 8.233 4.968 577 HG1 THR 74 1HG THR 74 -3.563 6.243 3.738 578 HG21 THR 74 3HG2 THR 74 -5.958 8.339 5.699 579 HG22 THR 74 1HG2 THR 74 -4.525 8.801 6.615 580 HG23 THR 74 2HG2 THR 74 -5.031 7.113 6.563 581 H LEU 75 H LEU 75 -2.888 10.210 3.133 582 HA LEU 75 HA LEU 75 -4.468 12.412 4.244 583 HB2 LEU 75 2HB LEU 75 -2.020 11.806 4.904 584 HB3 LEU 75 1HB LEU 75 -1.599 12.642 3.421 585 HG LEU 75 HG LEU 75 -3.407 14.245 5.005 586 HD11 LEU 75 1HD1 LEU 75 -1.003 13.100 6.367 587 HD12 LEU 75 2HD1 LEU 75 -2.634 13.343 6.993 588 HD13 LEU 75 3HD1 LEU 75 -1.568 14.726 6.749 589 HD21 LEU 75 3HD2 LEU 75 -2.092 15.915 4.258 590 HD22 LEU 75 1HD2 LEU 75 -1.494 14.674 3.156 591 HD23 LEU 75 2HD2 LEU 75 -0.600 15.051 4.629 592 H ARG 76 H ARG 76 -4.699 11.181 1.464 593 HA ARG 76 HA ARG 76 -3.896 13.375 -0.257 594 HB2 ARG 76 2HB ARG 76 -3.921 10.806 -0.799 595 HB3 ARG 76 1HB ARG 76 -5.614 11.100 -1.171 596 HG2 ARG 76 2HG ARG 76 -3.657 12.948 -2.388 597 HG3 ARG 76 1HG ARG 76 -3.663 11.286 -2.981 598 HD2 ARG 76 2HD ARG 76 -6.145 12.975 -2.763 599 HD3 ARG 76 1HD ARG 76 -5.156 12.894 -4.219 600 HE ARG 76 HE ARG 76 -6.981 10.898 -3.246 601 HH11 ARG 76 1HH1 ARG 76 -4.167 11.480 -5.226 602 HH12 ARG 76 2HH1 ARG 76 -4.409 10.072 -6.204 603 HH21 ARG 76 1HH2 ARG 76 -7.300 9.045 -4.530 604 HH22 ARG 76 2HH2 ARG 76 -6.188 8.690 -5.809 605 H TYR 77 H TYR 77 -5.319 14.676 -1.443 606 HA TYR 77 HA TYR 77 -8.166 14.510 -0.915 607 HB2 TYR 77 2HB TYR 77 -6.638 16.103 0.747 608 HB3 TYR 77 1HB TYR 77 -7.221 17.242 -0.462 609 HD1 TYR 77 2HD TYR 77 -9.797 17.110 -0.971 610 HD2 TYR 77 1HD TYR 77 -7.975 15.624 2.575 611 HE1 TYR 77 2HE TYR 77 -11.962 17.232 0.188 612 HE2 TYR 77 1HE TYR 77 -10.136 15.742 3.742 613 HH TYR 77 HH TYR 77 -12.318 17.151 3.440 614 H LYS 78 H LYS 78 -5.808 16.908 -2.115 615 HA LYS 78 HA LYS 78 -6.570 16.585 -4.829 616 HB2 LYS 78 2HB LYS 78 -8.095 18.471 -3.214 617 HB3 LYS 78 1HB LYS 78 -7.330 19.246 -4.595 618 HG2 LYS 78 2HG LYS 78 -8.575 18.083 -6.117 619 HG3 LYS 78 1HG LYS 78 -8.805 16.704 -5.040 620 HD2 LYS 78 2HD LYS 78 -10.556 17.697 -3.922 621 HD3 LYS 78 1HD LYS 78 -10.014 19.331 -4.310 622 HE2 LYS 78 2HE LYS 78 -11.324 19.399 -6.103 623 HE3 LYS 78 1HE LYS 78 -10.636 17.899 -6.720 624 HZ1 LYS 78 3HZ LYS 78 -12.228 16.959 -4.813 625 HZ2 LYS 78 1HZ LYS 78 -12.728 17.173 -6.415 626 HZ3 LYS 78 2HZ LYS 78 -13.100 18.340 -5.250 627 H VAL 79 H VAL 79 -4.866 17.157 -6.007 628 HA VAL 79 HA VAL 79 -3.195 19.402 -5.138 629 HB VAL 79 HB VAL 79 -1.139 18.087 -5.655 630 HG11 VAL 79 1HG1 VAL 79 -2.682 16.759 -3.448 631 HG12 VAL 79 2HG1 VAL 79 -2.145 18.436 -3.336 632 HG13 VAL 79 3HG1 VAL 79 -0.960 17.141 -3.517 633 HG21 VAL 79 3HG2 VAL 79 -2.752 16.304 -6.845 634 HG22 VAL 79 1HG2 VAL 79 -2.578 15.536 -5.267 635 HG23 VAL 79 2HG2 VAL 79 -1.148 15.898 -6.232 636 H ILE 80 H ILE 80 -1.338 19.608 -6.925 637 HA ILE 80 HA ILE 80 -1.021 20.529 -8.999 638 HB ILE 80 HB ILE 80 -1.307 18.866 -10.859 639 HG12 ILE 80 2HG1 ILE 80 -2.184 17.032 -8.618 640 HG13 ILE 80 1HG1 ILE 80 -3.258 17.682 -9.853 641 HG21 ILE 80 1HG2 ILE 80 0.661 17.905 -10.312 642 HG22 ILE 80 2HG2 ILE 80 0.092 17.386 -8.726 643 HG23 ILE 80 3HG2 ILE 80 0.596 19.057 -8.978 644 HD11 ILE 80 3HD1 ILE 80 -0.837 16.089 -10.591 645 HD12 ILE 80 1HD1 ILE 80 -2.297 16.396 -11.532 646 HD13 ILE 80 2HD1 ILE 80 -2.354 15.308 -10.144 647 H GLN 81 H GLN 81 -2.932 21.984 -8.463 648 HA GLN 81 HA GLN 81 -5.044 21.593 -10.483 649 HB2 GLN 81 2HB GLN 81 -5.681 21.534 -7.979 650 HB3 GLN 81 1HB GLN 81 -5.395 23.269 -8.011 651 HG2 GLN 81 2HG GLN 81 -7.731 22.859 -8.305 652 HG3 GLN 81 1HG GLN 81 -7.065 23.475 -9.817 653 HE21 GLN 81 1HE2 GLN 81 -8.693 20.911 -8.271 654 HE22 GLN 81 2HE2 GLN 81 -8.841 19.868 -9.641 655 H GLN 82 H GLN 82 -2.438 22.897 -10.793 656 HA GLN 82 HA GLN 82 -1.535 24.759 -11.736 657 HB2 GLN 82 2HB GLN 82 -3.871 24.339 -13.030 658 HB3 GLN 82 1HB GLN 82 -4.155 25.958 -12.406 659 HG2 GLN 82 2HG GLN 82 -1.530 25.664 -13.617 660 HG3 GLN 82 1HG GLN 82 -2.847 25.315 -14.735 661 HE21 GLN 82 1HE2 GLN 82 -1.986 27.688 -12.239 662 HE22 GLN 82 2HE2 GLN 82 -2.546 29.068 -13.115 663 H GLN 83 H GLN 83 -0.814 25.590 -9.737 664 HA GLN 83 HA GLN 83 -2.509 27.548 -8.393 665 HB2 GLN 83 2HB GLN 83 -0.015 26.074 -7.703 666 HB3 GLN 83 1HB GLN 83 -0.273 27.641 -6.946 667 HG2 GLN 83 2HG GLN 83 -1.852 26.853 -5.583 668 HG3 GLN 83 1HG GLN 83 -2.611 25.899 -6.855 669 HE21 GLN 83 1HE2 GLN 83 -1.815 25.350 -4.000 670 HE22 GLN 83 2HE2 GLN 83 -0.919 23.874 -4.083 671 H GLY 84 H GLY 84 0.826 27.429 -9.665 672 HA2 GLY 84 2HA GLY 84 2.002 29.027 -10.847 673 HA3 GLY 84 1HA GLY 84 0.537 29.993 -10.920 674 H TYR 85 H TYR 85 3.562 29.554 -9.413 675 HA TYR 85 HA TYR 85 2.939 31.685 -7.475 676 HB2 TYR 85 2HB TYR 85 5.004 29.481 -7.312 677 HB3 TYR 85 1HB TYR 85 4.878 30.810 -6.163 678 HD1 TYR 85 2HD TYR 85 2.721 31.041 -4.833 679 HD2 TYR 85 1HD TYR 85 3.690 27.551 -7.064 680 HE1 TYR 85 2HE TYR 85 1.086 29.756 -3.521 681 HE2 TYR 85 1HE TYR 85 2.056 26.256 -5.760 682 HH TYR 85 HH TYR 85 -0.266 27.141 -4.321 683 H ARG 86 H ARG 86 3.681 32.067 -10.251 684 HA ARG 86 HA ARG 86 5.924 33.851 -9.818 685 HB2 ARG 86 2HB ARG 86 6.836 31.576 -10.544 686 HB3 ARG 86 1HB ARG 86 6.080 31.890 -12.101 687 HG2 ARG 86 2HG ARG 86 7.590 33.487 -12.671 688 HG3 ARG 86 1HG ARG 86 7.855 33.992 -11.001 689 HD2 ARG 86 2HD ARG 86 8.717 31.254 -11.560 690 HD3 ARG 86 1HD ARG 86 9.573 32.474 -12.501 691 HE ARG 86 HE ARG 86 9.400 33.110 -9.710 692 HH11 ARG 86 1HH1 ARG 86 11.202 31.340 -12.117 693 HH12 ARG 86 2HH1 ARG 86 12.669 31.334 -11.197 694 HH21 ARG 86 1HH2 ARG 86 11.328 33.104 -8.496 695 HH22 ARG 86 2HH2 ARG 86 12.740 32.336 -9.140 696 H GLY 87 H GLY 87 3.691 32.464 -12.210 697 HA2 GLY 87 2HA GLY 87 3.096 35.197 -13.108 698 HA3 GLY 87 1HA GLY 87 3.563 33.997 -14.303 699 H LYS 88 H LYS 88 1.393 34.687 -15.150 700 HA LYS 88 HA LYS 88 -0.775 33.210 -13.813 701 HB2 LYS 88 2HB LYS 88 -0.733 35.844 -14.608 702 HB3 LYS 88 1HB LYS 88 -1.551 35.059 -15.951 703 HG2 LYS 88 2HG LYS 88 -2.884 33.932 -13.931 704 HG3 LYS 88 1HG LYS 88 -2.431 35.454 -13.162 705 HD2 LYS 88 2HD LYS 88 -3.760 36.693 -14.520 706 HD3 LYS 88 1HD LYS 88 -3.512 35.632 -15.909 707 HE2 LYS 88 2HE LYS 88 -5.617 34.968 -15.510 708 HE3 LYS 88 1HE LYS 88 -4.893 34.003 -14.225 709 HZ1 LYS 88 3HZ LYS 88 -6.113 36.695 -13.944 710 HZ2 LYS 88 1HZ LYS 88 -5.305 35.878 -12.702 711 HZ3 LYS 88 2HZ LYS 88 -6.730 35.237 -13.348 712 H ASN 89 H ASN 89 0.747 33.870 -16.932 713 HA ASN 89 HA ASN 89 -0.383 31.346 -17.928 714 HB2 ASN 89 2HB ASN 89 -0.520 32.472 -20.204 715 HB3 ASN 89 1HB ASN 89 -1.716 32.983 -19.017 716 HD21 ASN 89 1HD2 ASN 89 1.223 33.861 -20.684 717 HD22 ASN 89 2HD2 ASN 89 1.115 35.559 -20.387 718 H SER 90 H SER 90 2.072 33.864 -18.431 719 HA SER 90 HA SER 90 4.188 31.994 -18.590 720 HB2 SER 90 2HB SER 90 2.851 31.984 -20.920 721 HB3 SER 90 1HB SER 90 3.928 33.346 -21.224 722 HG SER 90 HG SER 90 4.644 30.688 -20.546 723 H VAL 91 H VAL 91 6.094 33.336 -19.969 724 HA VAL 91 HA VAL 91 6.038 36.128 -19.126 725 HB VAL 91 HB VAL 91 8.285 35.914 -18.057 726 HG11 VAL 91 1HG1 VAL 91 6.323 36.116 -16.671 727 HG12 VAL 91 2HG1 VAL 91 7.436 34.963 -15.935 728 HG13 VAL 91 3HG1 VAL 91 6.012 34.384 -16.799 729 HG21 VAL 91 3HG2 VAL 91 9.375 33.955 -17.801 730 HG22 VAL 91 1HG2 VAL 91 8.405 33.471 -19.193 731 HG23 VAL 91 2HG2 VAL 91 7.889 33.035 -17.564 732 H ALA 92 H ALA 92 7.904 37.355 -19.960 733 HA ALA 92 HA ALA 92 8.516 36.504 -22.660 734 HB1 ALA 92 1HB ALA 92 9.712 38.819 -22.629 735 HB2 ALA 92 2HB ALA 92 8.808 39.054 -21.133 736 HB3 ALA 92 3HB ALA 92 7.951 38.740 -22.642 737 H ALA 93 H ALA 93 10.184 35.191 -22.987 738 HA ALA 93 HA ALA 93 12.803 35.919 -22.016 739 HB1 ALA 93 1HB ALA 93 11.446 34.323 -20.333 740 HB2 ALA 93 2HB ALA 93 13.197 34.263 -20.531 741 HB3 ALA 93 3HB ALA 93 12.173 33.106 -21.381 742 H ARG 94 H ARG 94 14.493 34.397 -22.879 743 HA ARG 94 HA ARG 94 13.680 33.492 -25.555 744 HB2 ARG 94 2HB ARG 94 15.958 34.966 -24.549 745 HB3 ARG 94 1HB ARG 94 16.482 33.533 -25.421 746 HG2 ARG 94 2HG ARG 94 16.402 35.256 -27.010 747 HG3 ARG 94 1HG ARG 94 14.965 34.276 -27.299 748 HD2 ARG 94 2HD ARG 94 13.806 36.175 -27.195 749 HD3 ARG 94 1HD ARG 94 14.112 36.154 -25.460 750 HE ARG 94 HE ARG 94 15.441 37.803 -27.459 751 HH11 ARG 94 1HH1 ARG 94 15.288 36.741 -24.131 752 HH12 ARG 94 2HH1 ARG 94 16.228 38.067 -23.540 753 HH21 ARG 94 1HH2 ARG 94 16.675 39.543 -26.673 754 HH22 ARG 94 2HH2 ARG 94 17.014 39.656 -24.979 755 H SER 95 H SER 95 14.583 31.543 -26.407 756 HA SER 95 HA SER 95 16.166 29.725 -25.026 757 HB2 SER 95 2HB SER 95 14.718 29.146 -23.363 758 HB3 SER 95 1HB SER 95 13.301 29.672 -24.267 759 HG SER 95 HG SER 95 13.339 27.752 -25.403 760 HA PRO 96 HA PRO 96 14.100 27.472 -28.676 761 HB2 PRO 96 2HB PRO 96 11.757 28.258 -29.675 762 HB3 PRO 96 1HB PRO 96 11.839 27.346 -28.163 763 HG2 PRO 96 2HG PRO 96 11.470 30.284 -28.583 764 HG3 PRO 96 1HG PRO 96 10.652 29.208 -27.438 765 HD2 PRO 96 2HD PRO 96 12.785 30.846 -26.804 766 HD3 PRO 96 1HD PRO 96 12.327 29.389 -25.901 767 H GLU 97 H GLU 97 15.836 29.653 -28.930 768 HA GLU 97 HA GLU 97 15.037 31.257 -31.189 769 HB2 GLU 97 2HB GLU 97 17.337 31.142 -29.343 770 HB3 GLU 97 1HB GLU 97 17.713 31.677 -30.975 771 HG2 GLU 97 2HG GLU 97 15.389 32.908 -29.599 772 HG3 GLU 97 1HG GLU 97 17.012 33.368 -29.083 773 H LYS 98 H LYS 98 17.383 28.661 -30.584 774 HA LYS 98 HA LYS 98 18.013 28.461 -33.405 775 HB2 LYS 98 2HB LYS 98 18.960 26.953 -30.971 776 HB3 LYS 98 1HB LYS 98 19.458 26.532 -32.604 777 HG2 LYS 98 2HG LYS 98 21.190 27.863 -31.834 778 HG3 LYS 98 1HG LYS 98 20.211 28.982 -32.785 779 HD2 LYS 98 2HD LYS 98 19.625 30.197 -30.979 780 HD3 LYS 98 1HD LYS 98 19.463 28.774 -29.949 781 HE2 LYS 98 2HE LYS 98 21.335 29.512 -28.965 782 HE3 LYS 98 1HE LYS 98 22.156 28.851 -30.379 783 HZ1 LYS 98 3HZ LYS 98 22.565 30.892 -31.207 784 HZ2 LYS 98 1HZ LYS 98 22.423 31.363 -29.588 785 HZ3 LYS 98 2HZ LYS 98 21.113 31.553 -30.643 786 H ALA 99 H ALA 99 15.877 26.991 -31.131 787 HA ALA 99 HA ALA 99 14.252 25.417 -31.353 788 HB1 ALA 99 1HB ALA 99 13.777 26.609 -33.472 789 HB2 ALA 99 2HB ALA 99 13.399 24.889 -33.543 790 HB3 ALA 99 3HB ALA 99 14.867 25.500 -34.304 791 H SER 100 H SER 100 15.285 23.797 -30.231 792 HA SER 100 HA SER 100 16.214 21.568 -31.849 793 HB2 SER 100 2HB SER 100 18.285 21.262 -30.638 794 HB3 SER 100 1HB SER 100 18.256 22.903 -31.286 795 HG SER 100 HG SER 100 17.957 23.703 -29.298 796 H ASN 101 H ASN 101 13.991 21.069 -30.957 797 HA ASN 101 HA ASN 101 14.207 19.140 -28.925 798 HB2 ASN 101 2HB ASN 101 14.314 21.279 -27.556 799 HB3 ASN 101 1HB ASN 101 12.648 21.571 -28.042 800 HD21 ASN 101 1HD2 ASN 101 14.440 20.495 -25.596 801 HD22 ASN 101 2HD2 ASN 101 13.350 19.367 -24.871 802 H MET 102 H MET 102 12.939 17.715 -29.927 803 HA MET 102 HA MET 102 10.126 18.346 -30.271 804 HB2 MET 102 2HB MET 102 11.996 17.808 -32.537 805 HB3 MET 102 1HB MET 102 10.357 17.181 -32.631 806 HG2 MET 102 2HG MET 102 9.435 19.376 -32.462 807 HG3 MET 102 1HG MET 102 11.020 20.070 -32.126 808 HE1 MET 102 3HE MET 102 12.884 20.289 -35.200 809 HE2 MET 102 1HE MET 102 12.874 18.556 -34.866 810 HE3 MET 102 2HE MET 102 12.952 19.712 -33.534 811 H GLU 103 H GLU 103 11.713 16.599 -28.561 812 HA GLU 103 HA GLU 103 11.649 14.495 -27.700 813 HB2 GLU 103 2HB GLU 103 9.091 14.751 -29.180 814 HB3 GLU 103 1HB GLU 103 9.574 13.122 -28.725 815 HG2 GLU 103 2HG GLU 103 9.621 13.701 -26.414 816 HG3 GLU 103 1HG GLU 103 9.400 15.411 -26.784 817 H ASN 104 H ASN 104 13.514 13.639 -28.531 818 HA ASN 104 HA ASN 104 13.204 11.992 -30.954 819 HB2 ASN 104 2HB ASN 104 14.804 14.149 -30.878 820 HB3 ASN 104 1HB ASN 104 15.918 12.953 -30.220 821 HD21 ASN 104 1HD2 ASN 104 17.254 12.395 -31.780 822 HD22 ASN 104 2HD2 ASN 104 16.808 11.964 -33.394 823 H ASN 105 H ASN 105 13.746 9.900 -30.783 824 HA ASN 105 HA ASN 105 14.712 8.963 -28.188 825 HB2 ASN 105 2HB ASN 105 13.515 7.441 -30.513 826 HB3 ASN 105 1HB ASN 105 13.980 6.731 -28.969 827 HD21 ASN 105 1HD2 ASN 105 11.997 6.081 -28.317 828 HD22 ASN 105 2HD2 ASN 105 10.697 7.159 -27.958 829 H GLU 106 H GLU 106 16.908 9.645 -28.560 830 HA GLU 106 HA GLU 106 19.088 9.270 -29.088 831 HB2 GLU 106 2HB GLU 106 17.857 6.701 -28.900 832 HB3 GLU 106 1HB GLU 106 19.026 6.655 -30.213 833 HG2 GLU 106 2HG GLU 106 19.630 7.587 -27.416 834 HG3 GLU 106 1HG GLU 106 19.957 5.969 -28.034 Start of MODEL 3 1 H1 GLY 1 1HT GLY 1 -9.827 -13.101 34.578 2 H2 GLY 1 2HT GLY 1 -8.296 -13.740 34.903 3 H3 GLY 1 3HT GLY 1 -8.780 -13.482 33.304 4 HA2 GLY 1 1HA GLY 1 -7.252 -11.785 34.689 5 HA3 GLY 1 2HA GLY 1 -8.262 -11.320 33.328 6 HA PRO 2 HA PRO 2 -10.298 -8.475 36.020 7 HB2 PRO 2 2HB PRO 2 -12.699 -8.229 34.782 8 HB3 PRO 2 1HB PRO 2 -11.213 -7.523 34.136 9 HG2 PRO 2 2HG PRO 2 -12.593 -10.068 33.370 10 HG3 PRO 2 1HG PRO 2 -11.866 -8.832 32.327 11 HD2 PRO 2 2HD PRO 2 -10.608 -11.154 32.932 12 HD3 PRO 2 1HD PRO 2 -9.730 -9.637 32.649 13 H GLY 3 H GLY 3 -12.347 -11.209 34.994 14 HA2 GLY 3 2HA GLY 3 -13.522 -11.222 37.703 15 HA3 GLY 3 1HA GLY 3 -14.346 -11.796 36.261 16 H SER 4 H SER 4 -13.001 -12.839 39.001 17 HA SER 4 HA SER 4 -11.301 -14.942 38.269 18 HB2 SER 4 2HB SER 4 -12.922 -14.256 40.665 19 HB3 SER 4 1HB SER 4 -12.387 -15.930 40.518 20 HG SER 4 HG SER 4 -10.988 -13.984 41.452 21 H LEU 5 H LEU 5 -11.949 -17.316 38.792 22 HA LEU 5 HA LEU 5 -14.261 -17.927 37.101 23 HB2 LEU 5 2HB LEU 5 -11.722 -19.317 37.772 24 HB3 LEU 5 1HB LEU 5 -13.118 -20.319 37.424 25 HG LEU 5 HG LEU 5 -13.349 -19.255 35.226 26 HD11 LEU 5 1HD1 LEU 5 -11.887 -17.627 34.405 27 HD12 LEU 5 2HD1 LEU 5 -10.730 -17.875 35.713 28 HD13 LEU 5 3HD1 LEU 5 -12.273 -17.085 36.039 29 HD21 LEU 5 3HD2 LEU 5 -10.907 -19.971 34.442 30 HD22 LEU 5 1HD2 LEU 5 -12.133 -21.147 34.914 31 HD23 LEU 5 2HD2 LEU 5 -10.882 -20.668 36.061 32 H SER 6 H SER 6 -14.564 -17.094 39.875 33 HA SER 6 HA SER 6 -15.556 -19.570 41.113 34 HB2 SER 6 2HB SER 6 -15.511 -17.021 42.647 35 HB3 SER 6 1HB SER 6 -15.149 -18.663 43.178 36 HG SER 6 HG SER 6 -13.460 -16.740 42.369 37 H ASN 7 H ASN 7 -17.613 -19.941 40.603 38 HA ASN 7 HA ASN 7 -19.853 -19.665 40.324 39 HB2 ASN 7 2HB ASN 7 -19.290 -17.319 42.142 40 HB3 ASN 7 1HB ASN 7 -20.916 -17.773 41.635 41 HD21 ASN 7 1HD2 ASN 7 -21.957 -18.945 43.055 42 HD22 ASN 7 2HD2 ASN 7 -21.261 -20.069 44.165 43 H PHE 8 H PHE 8 -21.567 -17.983 39.566 44 HA PHE 8 HA PHE 8 -20.475 -16.749 37.188 45 HB2 PHE 8 2HB PHE 8 -22.864 -16.316 36.630 46 HB3 PHE 8 1HB PHE 8 -22.522 -18.012 36.950 47 HD1 PHE 8 2HD PHE 8 -23.803 -14.928 38.583 48 HD2 PHE 8 1HD PHE 8 -23.800 -19.182 38.487 49 HE1 PHE 8 2HE PHE 8 -25.594 -14.963 40.268 50 HE2 PHE 8 1HE PHE 8 -25.593 -19.225 40.172 51 HZ PHE 8 HZ PHE 8 -26.492 -17.113 41.065 52 H ALA 9 H ALA 9 -20.451 -14.590 36.697 53 HA ALA 9 HA ALA 9 -20.206 -12.758 38.831 54 HB1 ALA 9 1HB ALA 9 -18.952 -12.022 37.096 55 HB2 ALA 9 2HB ALA 9 -20.418 -11.113 36.729 56 HB3 ALA 9 3HB ALA 9 -20.080 -12.623 35.882 57 H ASN 10 H ASN 10 -21.424 -10.654 38.915 58 HA ASN 10 HA ASN 10 -24.290 -11.238 38.854 59 HB2 ASN 10 2HB ASN 10 -22.792 -10.205 40.853 60 HB3 ASN 10 1HB ASN 10 -23.324 -8.717 40.073 61 HD21 ASN 10 1HD2 ASN 10 -24.847 -11.859 40.716 62 HD22 ASN 10 2HD2 ASN 10 -26.240 -11.211 41.508 63 H VAL 11 H VAL 11 -23.023 -10.689 36.387 64 HA VAL 11 HA VAL 11 -24.486 -8.262 35.635 65 HB VAL 11 HB VAL 11 -21.705 -8.831 34.607 66 HG11 VAL 11 1HG1 VAL 11 -23.449 -6.385 34.347 67 HG12 VAL 11 2HG1 VAL 11 -23.207 -7.599 33.091 68 HG13 VAL 11 3HG1 VAL 11 -21.849 -6.617 33.641 69 HG21 VAL 11 3HG2 VAL 11 -22.541 -6.747 36.621 70 HG22 VAL 11 1HG2 VAL 11 -20.915 -7.019 35.994 71 HG23 VAL 11 2HG2 VAL 11 -21.685 -8.239 37.009 72 H GLY 12 H GLY 12 -25.396 -8.308 33.603 73 HA2 GLY 12 2HA GLY 12 -25.312 -10.931 32.274 74 HA3 GLY 12 1HA GLY 12 -26.613 -9.757 32.135 75 H VAL 13 H VAL 13 -24.688 -7.537 31.748 76 HA VAL 13 HA VAL 13 -24.216 -8.005 28.895 77 HB VAL 13 HB VAL 13 -24.023 -5.370 30.352 78 HG11 VAL 13 1HG1 VAL 13 -24.865 -5.429 27.556 79 HG12 VAL 13 2HG1 VAL 13 -23.241 -6.061 27.821 80 HG13 VAL 13 3HG1 VAL 13 -23.651 -4.431 28.356 81 HG21 VAL 13 3HG2 VAL 13 -26.229 -5.682 30.739 82 HG22 VAL 13 1HG2 VAL 13 -26.389 -6.904 29.477 83 HG23 VAL 13 2HG2 VAL 13 -26.371 -5.193 29.050 84 H GLY 14 H GLY 14 -22.432 -9.185 30.803 85 HA2 GLY 14 2HA GLY 14 -19.988 -7.582 30.381 86 HA3 GLY 14 1HA GLY 14 -20.202 -8.744 31.682 87 H THR 15 H THR 15 -21.166 -10.940 30.387 88 HA THR 15 HA THR 15 -18.871 -11.681 28.712 89 HB THR 15 HB THR 15 -20.766 -13.702 29.830 90 HG1 THR 15 1HG THR 15 -20.413 -12.813 31.722 91 HG21 THR 15 3HG2 THR 15 -18.363 -13.876 28.490 92 HG22 THR 15 1HG2 THR 15 -19.155 -15.161 29.403 93 HG23 THR 15 2HG2 THR 15 -17.932 -14.154 30.178 94 H SER 16 H SER 16 -19.125 -12.598 26.711 95 HA SER 16 HA SER 16 -21.571 -13.523 25.654 96 HB2 SER 16 2HB SER 16 -21.609 -11.551 23.881 97 HB3 SER 16 1HB SER 16 -22.473 -11.416 25.413 98 HG SER 16 HG SER 16 -20.726 -9.752 24.534 99 H SER 17 H SER 17 -18.888 -11.573 24.337 100 HA SER 17 HA SER 17 -18.504 -13.349 22.137 101 HB2 SER 17 2HB SER 17 -16.553 -11.933 21.617 102 HB3 SER 17 1HB SER 17 -17.986 -10.959 21.950 103 HG SER 17 HG SER 17 -16.366 -10.045 23.113 104 H GLY 18 H GLY 18 -16.097 -14.052 21.700 105 HA2 GLY 18 2HA GLY 18 -15.072 -15.352 24.147 106 HA3 GLY 18 1HA GLY 18 -15.246 -16.236 22.639 107 H LYS 19 H LYS 19 -14.126 -14.992 20.726 108 HA LYS 19 HA LYS 19 -11.552 -13.913 21.635 109 HB2 LYS 19 2HB LYS 19 -10.349 -15.287 20.023 110 HB3 LYS 19 1HB LYS 19 -11.241 -16.303 21.147 111 HG2 LYS 19 2HG LYS 19 -12.933 -15.804 18.938 112 HG3 LYS 19 1HG LYS 19 -11.348 -16.252 18.305 113 HD2 LYS 19 2HD LYS 19 -12.387 -17.877 20.549 114 HD3 LYS 19 1HD LYS 19 -13.218 -18.047 19.001 115 HE2 LYS 19 2HE LYS 19 -11.283 -18.795 17.915 116 HE3 LYS 19 1HE LYS 19 -10.229 -18.205 19.200 117 HZ1 LYS 19 3HZ LYS 19 -10.616 -20.017 20.478 118 HZ2 LYS 19 1HZ LYS 19 -10.889 -20.739 18.972 119 HZ3 LYS 19 2HZ LYS 19 -12.197 -20.237 19.917 120 H GLN 20 H GLN 20 -10.859 -12.190 20.515 121 HA GLN 20 HA GLN 20 -11.335 -11.706 17.789 122 HB2 GLN 20 2HB GLN 20 -13.636 -11.299 19.114 123 HB3 GLN 20 1HB GLN 20 -12.907 -9.713 19.329 124 HG2 GLN 20 2HG GLN 20 -13.285 -9.131 17.215 125 HG3 GLN 20 1HG GLN 20 -12.727 -10.683 16.592 126 HE21 GLN 20 1HE2 GLN 20 -14.213 -11.743 15.514 127 HE22 GLN 20 2HE2 GLN 20 -15.915 -11.711 15.809 128 H LYS 21 H LYS 21 -9.138 -11.199 17.915 129 HA LYS 21 HA LYS 21 -8.579 -8.450 18.521 130 HB2 LYS 21 2HB LYS 21 -7.851 -10.556 20.419 131 HB3 LYS 21 1HB LYS 21 -6.481 -9.576 19.917 132 HG2 LYS 21 2HG LYS 21 -7.344 -7.652 20.843 133 HG3 LYS 21 1HG LYS 21 -9.005 -8.245 20.787 134 HD2 LYS 21 2HD LYS 21 -7.106 -9.755 22.483 135 HD3 LYS 21 1HD LYS 21 -7.564 -8.145 23.043 136 HE2 LYS 21 2HE LYS 21 -9.975 -9.179 22.314 137 HE3 LYS 21 1HE LYS 21 -9.138 -10.617 22.899 138 HZ1 LYS 21 3HZ LYS 21 -10.436 -9.295 24.592 139 HZ2 LYS 21 1HZ LYS 21 -9.238 -8.106 24.465 140 HZ3 LYS 21 2HZ LYS 21 -8.838 -9.660 25.003 141 H ARG 22 H ARG 22 -6.745 -7.693 17.487 142 HA ARG 22 HA ARG 22 -5.104 -7.617 15.918 143 HB2 ARG 22 2HB ARG 22 -4.684 -10.427 16.930 144 HB3 ARG 22 1HB ARG 22 -3.648 -9.695 15.713 145 HG2 ARG 22 2HG ARG 22 -2.651 -8.298 17.197 146 HG3 ARG 22 1HG ARG 22 -4.085 -8.178 18.219 147 HD2 ARG 22 2HD ARG 22 -2.917 -9.514 19.600 148 HD3 ARG 22 1HD ARG 22 -3.468 -10.795 18.522 149 HE ARG 22 HE ARG 22 -0.786 -9.746 18.762 150 HH11 ARG 22 1HH1 ARG 22 -3.015 -11.590 16.804 151 HH12 ARG 22 2HH1 ARG 22 -1.765 -12.406 15.932 152 HH21 ARG 22 1HH2 ARG 22 0.857 -10.823 17.614 153 HH22 ARG 22 2HH2 ARG 22 0.432 -11.973 16.390 154 H TYR 23 H TYR 23 -4.771 -8.008 13.725 155 HA TYR 23 HA TYR 23 -5.791 -10.184 12.282 156 HB2 TYR 23 2HB TYR 23 -7.711 -8.054 12.878 157 HB3 TYR 23 1HB TYR 23 -7.562 -8.389 11.157 158 HD1 TYR 23 2HD TYR 23 -7.120 -11.279 11.099 159 HD2 TYR 23 1HD TYR 23 -9.729 -8.978 13.549 160 HE1 TYR 23 2HE TYR 23 -8.594 -13.230 11.349 161 HE2 TYR 23 1HE TYR 23 -11.212 -10.924 13.807 162 HH TYR 23 HH TYR 23 -11.145 -13.325 13.638 163 H LYS 24 H LYS 24 -4.418 -10.233 10.639 164 HA LYS 24 HA LYS 24 -3.201 -7.784 9.666 165 HB2 LYS 24 2HB LYS 24 -2.724 -10.693 9.003 166 HB3 LYS 24 1HB LYS 24 -1.842 -9.365 8.261 167 HG2 LYS 24 2HG LYS 24 -0.378 -9.842 9.911 168 HG3 LYS 24 1HG LYS 24 -1.425 -8.752 10.821 169 HD2 LYS 24 2HD LYS 24 -1.077 -10.678 12.175 170 HD3 LYS 24 1HD LYS 24 -2.726 -10.776 11.551 171 HE2 LYS 24 2HE LYS 24 -1.464 -12.122 9.620 172 HE3 LYS 24 1HE LYS 24 -0.357 -12.453 10.951 173 HZ1 LYS 24 3HZ LYS 24 -1.875 -13.712 12.023 174 HZ2 LYS 24 1HZ LYS 24 -2.481 -13.934 10.458 175 HZ3 LYS 24 2HZ LYS 24 -3.199 -12.803 11.491 176 H PHE 25 H PHE 25 -5.696 -7.456 9.033 177 HA PHE 25 HA PHE 25 -6.665 -8.631 6.685 178 HB2 PHE 25 2HB PHE 25 -7.570 -6.727 8.511 179 HB3 PHE 25 1HB PHE 25 -7.530 -5.887 6.963 180 HD1 PHE 25 2HD PHE 25 -8.501 -9.290 8.164 181 HD2 PHE 25 1HD PHE 25 -9.533 -5.862 5.864 182 HE1 PHE 25 2HE PHE 25 -10.631 -10.354 7.540 183 HE2 PHE 25 1HE PHE 25 -11.664 -6.919 5.237 184 HZ PHE 25 HZ PHE 25 -12.215 -9.169 6.075 185 H SER 26 H SER 26 -6.910 -7.698 4.564 186 HA SER 26 HA SER 26 -4.445 -6.644 3.559 187 HB2 SER 26 2HB SER 26 -7.107 -7.316 2.312 188 HB3 SER 26 1HB SER 26 -5.856 -6.487 1.388 189 HG SER 26 HG SER 26 -5.818 -9.075 2.502 190 H ALA 27 H ALA 27 -5.072 -4.909 5.361 191 HA ALA 27 HA ALA 27 -5.051 -2.422 4.268 192 HB1 ALA 27 1HB ALA 27 -7.459 -1.709 4.950 193 HB2 ALA 27 2HB ALA 27 -7.835 -3.419 4.726 194 HB3 ALA 27 3HB ALA 27 -7.193 -2.474 3.382 195 H SER 28 H SER 28 -5.966 -4.547 6.894 196 HA SER 28 HA SER 28 -6.298 -2.796 9.003 197 HB2 SER 28 2HB SER 28 -5.987 -5.531 8.740 198 HB3 SER 28 1HB SER 28 -4.596 -5.065 9.718 199 HG SER 28 HG SER 28 -5.907 -4.842 11.330 200 H GLU 29 H GLU 29 -3.364 -3.683 7.329 201 HA GLU 29 HA GLU 29 -1.450 -2.825 9.160 202 HB2 GLU 29 2HB GLU 29 -0.071 -2.316 7.044 203 HB3 GLU 29 1HB GLU 29 -0.601 -3.969 7.311 204 HG2 GLU 29 2HG GLU 29 -1.522 -3.974 5.308 205 HG3 GLU 29 1HG GLU 29 -2.630 -2.706 5.826 206 H ASP 30 H ASP 30 -2.995 -0.956 6.544 207 HA ASP 30 HA ASP 30 -1.733 1.481 7.026 208 HB2 ASP 30 2HB ASP 30 -3.558 0.615 5.214 209 HB3 ASP 30 1HB ASP 30 -4.579 1.626 6.232 210 H GLU 31 H GLU 31 -4.503 -0.012 8.565 211 HA GLU 31 HA GLU 31 -5.329 2.258 10.056 212 HB2 GLU 31 2HB GLU 31 -5.760 -0.658 10.727 213 HB3 GLU 31 1HB GLU 31 -6.690 0.706 11.331 214 HG2 GLU 31 2HG GLU 31 -6.595 0.474 8.410 215 HG3 GLU 31 1HG GLU 31 -7.411 -0.850 9.241 216 H ALA 32 H ALA 32 -2.915 -0.203 10.517 217 HA ALA 32 HA ALA 32 -2.513 0.302 13.302 218 HB1 ALA 32 1HB ALA 32 -1.236 -1.365 11.225 219 HB2 ALA 32 2HB ALA 32 -1.700 -1.768 12.877 220 HB3 ALA 32 3HB ALA 32 -0.210 -0.876 12.573 221 H ILE 33 H ILE 33 -1.187 1.560 10.308 222 HA ILE 33 HA ILE 33 1.005 2.916 11.536 223 HB ILE 33 HB ILE 33 -0.197 3.853 8.959 224 HG12 ILE 33 2HG1 ILE 33 1.520 1.390 9.341 225 HG13 ILE 33 1HG1 ILE 33 -0.128 1.436 8.727 226 HG21 ILE 33 1HG2 ILE 33 1.838 4.780 8.567 227 HG22 ILE 33 2HG2 ILE 33 2.708 3.507 9.423 228 HG23 ILE 33 3HG2 ILE 33 1.883 4.774 10.329 229 HD11 ILE 33 3HD1 ILE 33 1.333 3.153 7.078 230 HD12 ILE 33 1HD1 ILE 33 0.711 1.549 6.687 231 HD13 ILE 33 2HD1 ILE 33 2.349 1.729 7.319 232 H ILE 34 H ILE 34 -2.232 3.900 10.486 233 HA ILE 34 HA ILE 34 -1.935 6.621 11.180 234 HB ILE 34 HB ILE 34 -4.488 6.597 11.305 235 HG12 ILE 34 2HG1 ILE 34 -4.857 4.221 9.785 236 HG13 ILE 34 1HG1 ILE 34 -3.984 3.783 11.247 237 HG21 ILE 34 1HG2 ILE 34 -4.613 6.909 9.042 238 HG22 ILE 34 2HG2 ILE 34 -3.601 5.511 8.680 239 HG23 ILE 34 3HG2 ILE 34 -2.867 6.999 9.275 240 HD11 ILE 34 3HD1 ILE 34 -6.011 3.649 12.164 241 HD12 ILE 34 1HD1 ILE 34 -6.754 4.617 10.892 242 HD13 ILE 34 2HD1 ILE 34 -5.928 5.409 12.234 243 H LYS 35 H LYS 35 -3.033 3.791 12.972 244 HA LYS 35 HA LYS 35 -3.789 5.271 15.305 245 HB2 LYS 35 2HB LYS 35 -3.291 2.340 14.786 246 HB3 LYS 35 1HB LYS 35 -3.698 2.954 16.382 247 HG2 LYS 35 2HG LYS 35 -5.854 3.466 15.790 248 HG3 LYS 35 1HG LYS 35 -5.454 3.645 14.079 249 HD2 LYS 35 2HD LYS 35 -6.387 1.614 13.863 250 HD3 LYS 35 1HD LYS 35 -4.858 1.019 14.514 251 HE2 LYS 35 2HE LYS 35 -7.315 1.681 16.135 252 HE3 LYS 35 1HE LYS 35 -6.805 0.059 15.672 253 HZ1 LYS 35 3HZ LYS 35 -4.594 0.936 16.839 254 HZ2 LYS 35 1HZ LYS 35 -5.825 0.139 17.683 255 HZ3 LYS 35 2HZ LYS 35 -5.734 1.827 17.715 256 H GLY 36 H GLY 36 -0.940 3.538 14.205 257 HA2 GLY 36 2HA GLY 36 0.539 3.679 16.608 258 HA3 GLY 36 1HA GLY 36 1.212 3.467 14.998 259 H LEU 37 H LEU 37 0.426 5.791 13.769 260 HA LEU 37 HA LEU 37 2.394 7.612 14.598 261 HB2 LEU 37 2HB LEU 37 0.532 7.352 12.453 262 HB3 LEU 37 1HB LEU 37 0.394 8.978 13.095 263 HG LEU 37 HG LEU 37 3.119 8.658 12.894 264 HD11 LEU 37 1HD1 LEU 37 2.483 7.856 10.195 265 HD12 LEU 37 2HD1 LEU 37 2.053 6.597 11.354 266 HD13 LEU 37 3HD1 LEU 37 3.701 7.223 11.303 267 HD21 LEU 37 3HD2 LEU 37 1.055 9.901 11.107 268 HD22 LEU 37 1HD2 LEU 37 2.777 10.019 10.743 269 HD23 LEU 37 2HD2 LEU 37 2.148 10.680 12.253 270 H ALA 38 H ALA 38 -1.110 7.538 15.100 271 HA ALA 38 HA ALA 38 -1.287 10.050 16.391 272 HB1 ALA 38 1HB ALA 38 -3.497 9.619 16.558 273 HB2 ALA 38 2HB ALA 38 -3.245 7.970 17.133 274 HB3 ALA 38 3HB ALA 38 -3.107 8.337 15.413 275 H ARG 39 H ARG 39 -0.100 7.015 17.459 276 HA ARG 39 HA ARG 39 -0.126 8.000 20.235 277 HB2 ARG 39 2HB ARG 39 -1.599 5.958 19.668 278 HB3 ARG 39 1HB ARG 39 -0.083 5.076 19.545 279 HG2 ARG 39 2HG ARG 39 0.246 6.281 21.937 280 HG3 ARG 39 1HG ARG 39 -1.508 6.077 21.912 281 HD2 ARG 39 2HD ARG 39 -0.810 3.648 21.075 282 HD3 ARG 39 1HD ARG 39 0.650 4.040 21.983 283 HE ARG 39 HE ARG 39 -1.405 4.657 23.675 284 HH11 ARG 39 1HH1 ARG 39 -0.416 1.796 21.938 285 HH12 ARG 39 2HH1 ARG 39 -1.057 0.705 23.119 286 HH21 ARG 39 1HH2 ARG 39 -2.248 3.224 25.231 287 HH22 ARG 39 2HH2 ARG 39 -2.097 1.515 24.989 288 H PHE 40 H PHE 40 1.936 8.477 18.282 289 HA PHE 40 HA PHE 40 4.147 7.180 19.699 290 HB2 PHE 40 2HB PHE 40 3.542 6.953 16.820 291 HB3 PHE 40 1HB PHE 40 5.214 7.342 17.202 292 HD1 PHE 40 1HD PHE 40 2.560 5.015 18.431 293 HD2 PHE 40 2HD PHE 40 6.646 5.575 17.385 294 HE1 PHE 40 1HE PHE 40 3.003 2.643 18.911 295 HE2 PHE 40 2HE PHE 40 7.097 3.204 17.861 296 HZ PHE 40 HZ PHE 40 5.274 1.735 18.626 297 H THR 41 H THR 41 4.520 9.140 16.813 298 HA THR 41 HA THR 41 5.744 11.045 16.495 299 HB THR 41 HB THR 41 4.798 12.993 17.862 300 HG1 THR 41 1HG THR 41 4.085 11.641 19.613 301 HG21 THR 41 3HG2 THR 41 2.355 12.355 16.891 302 HG22 THR 41 1HG2 THR 41 3.397 11.311 15.924 303 HG23 THR 41 2HG2 THR 41 3.666 13.055 15.940 304 H LYS 42 H LYS 42 7.626 9.840 17.468 305 HA LYS 42 HA LYS 42 8.540 11.206 19.915 306 HB2 LYS 42 2HB LYS 42 9.147 8.424 18.915 307 HB3 LYS 42 1HB LYS 42 10.039 9.198 20.218 308 HG2 LYS 42 2HG LYS 42 8.425 8.814 21.714 309 HG3 LYS 42 1HG LYS 42 7.140 9.244 20.583 310 HD2 LYS 42 2HD LYS 42 7.821 6.948 19.475 311 HD3 LYS 42 1HD LYS 42 8.420 6.605 21.100 312 HE2 LYS 42 2HE LYS 42 5.690 7.746 20.838 313 HE3 LYS 42 1HE LYS 42 5.925 6.064 20.361 314 HZ1 LYS 42 3HZ LYS 42 5.544 5.716 22.537 315 HZ2 LYS 42 1HZ LYS 42 6.014 7.274 22.999 316 HZ3 LYS 42 2HZ LYS 42 7.185 6.089 22.698 317 H GLY 43 H GLY 43 8.818 12.301 17.312 318 HA2 GLY 43 2HA GLY 43 11.326 13.302 17.256 319 HA3 GLY 43 1HA GLY 43 11.515 11.775 16.408 320 H GLN 44 H GLN 44 12.173 13.192 14.620 321 HA GLN 44 HA GLN 44 9.953 14.578 13.305 322 HB2 GLN 44 2HB GLN 44 12.935 14.679 13.029 323 HB3 GLN 44 1HB GLN 44 11.919 15.220 11.700 324 HG2 GLN 44 2HG GLN 44 11.675 17.183 12.678 325 HG3 GLN 44 1HG GLN 44 10.930 16.405 14.072 326 HE21 GLN 44 1HE2 GLN 44 12.877 15.087 15.279 327 HE22 GLN 44 2HE2 GLN 44 14.157 16.139 15.767 328 H GLN 45 H GLN 45 10.059 11.682 13.420 329 HA GLN 45 HA GLN 45 9.562 11.138 10.662 330 HB2 GLN 45 2HB GLN 45 12.190 10.897 11.282 331 HB3 GLN 45 1HB GLN 45 11.629 9.274 11.658 332 HG2 GLN 45 2HG GLN 45 11.513 8.729 9.515 333 HG3 GLN 45 1HG GLN 45 10.583 10.176 9.127 334 HE21 GLN 45 1HE2 GLN 45 13.651 8.661 9.067 335 HE22 GLN 45 2HE2 GLN 45 14.518 9.935 8.286 336 H ARG 46 H ARG 46 7.839 10.977 12.703 337 HA ARG 46 HA ARG 46 7.665 8.612 14.151 338 HB2 ARG 46 2HB ARG 46 5.198 9.063 14.179 339 HB3 ARG 46 1HB ARG 46 6.195 10.429 14.660 340 HG2 ARG 46 2HG ARG 46 5.915 10.799 11.952 341 HG3 ARG 46 1HG ARG 46 4.345 10.155 12.434 342 HD2 ARG 46 2HD ARG 46 4.108 12.462 12.684 343 HD3 ARG 46 1HD ARG 46 4.428 11.886 14.318 344 HE ARG 46 HE ARG 46 6.336 13.129 14.320 345 HH11 ARG 46 1HH1 ARG 46 5.381 12.597 11.007 346 HH12 ARG 46 2HH1 ARG 46 6.619 13.616 10.354 347 HH21 ARG 46 1HH2 ARG 46 7.965 14.471 13.465 348 HH22 ARG 46 2HH2 ARG 46 8.087 14.681 11.750 349 H PHE 47 H PHE 47 7.024 9.231 10.792 350 HA PHE 47 HA PHE 47 5.375 7.055 10.184 351 HB2 PHE 47 2HB PHE 47 7.475 8.211 8.350 352 HB3 PHE 47 1HB PHE 47 5.969 7.424 7.895 353 HD1 PHE 47 1HD PHE 47 3.790 8.572 8.525 354 HD2 PHE 47 2HD PHE 47 7.574 10.514 8.651 355 HE1 PHE 47 1HE PHE 47 2.666 10.762 8.467 356 HE2 PHE 47 2HE PHE 47 6.458 12.706 8.592 357 HZ PHE 47 HZ PHE 47 4.000 12.830 8.502 358 H GLN 48 H GLN 48 8.922 7.326 10.078 359 HA GLN 48 HA GLN 48 9.320 4.639 9.242 360 HB2 GLN 48 2HB GLN 48 10.910 6.774 9.227 361 HB3 GLN 48 1HB GLN 48 11.444 6.083 10.753 362 HG2 GLN 48 2HG GLN 48 11.313 4.035 8.755 363 HG3 GLN 48 1HG GLN 48 12.265 5.395 8.164 364 HE21 GLN 48 1HE2 GLN 48 14.045 3.888 8.235 365 HE22 GLN 48 2HE2 GLN 48 14.878 3.622 9.725 366 H GLN 49 H GLN 49 9.629 6.253 12.401 367 HA GLN 49 HA GLN 49 10.415 4.026 13.885 368 HB2 GLN 49 2HB GLN 49 9.990 6.644 14.458 369 HB3 GLN 49 1HB GLN 49 8.592 5.917 15.238 370 HG2 GLN 49 2HG GLN 49 9.815 5.147 16.919 371 HG3 GLN 49 1HG GLN 49 11.016 4.459 15.827 372 HE21 GLN 49 1HE2 GLN 49 12.857 5.599 15.359 373 HE22 GLN 49 2HE2 GLN 49 13.308 7.047 16.186 374 H ILE 50 H ILE 50 7.138 5.316 13.333 375 HA ILE 50 HA ILE 50 5.766 3.357 14.783 376 HB ILE 50 HB ILE 50 4.843 5.541 13.817 377 HG12 ILE 50 2HG1 ILE 50 3.512 3.831 15.026 378 HG13 ILE 50 1HG1 ILE 50 2.578 4.692 13.808 379 HG21 ILE 50 1HG2 ILE 50 4.549 3.775 11.396 380 HG22 ILE 50 2HG2 ILE 50 5.386 5.321 11.514 381 HG23 ILE 50 3HG2 ILE 50 3.630 5.257 11.648 382 HD11 ILE 50 3HD1 ILE 50 3.402 2.583 12.362 383 HD12 ILE 50 1HD1 ILE 50 1.897 2.622 13.280 384 HD13 ILE 50 2HD1 ILE 50 3.328 1.857 13.968 385 H TYR 51 H TYR 51 6.920 3.418 11.464 386 HA TYR 51 HA TYR 51 5.623 1.170 10.472 387 HB2 TYR 51 2HB TYR 51 7.025 2.795 9.152 388 HB3 TYR 51 1HB TYR 51 8.448 1.971 9.782 389 HD1 TYR 51 2HD TYR 51 8.492 -0.632 9.391 390 HD2 TYR 51 1HD TYR 51 6.128 2.092 7.139 391 HE1 TYR 51 2HE TYR 51 8.349 -2.274 7.565 392 HE2 TYR 51 1HE TYR 51 5.979 0.459 5.306 393 HH TYR 51 HH TYR 51 6.897 -2.793 5.664 394 H TYR 52 H TYR 52 8.671 1.437 12.227 395 HA TYR 52 HA TYR 52 9.310 -1.321 12.133 396 HB2 TYR 52 2HB TYR 52 10.267 1.039 13.686 397 HB3 TYR 52 1HB TYR 52 10.671 -0.563 14.292 398 HD1 TYR 52 1HD TYR 52 10.952 1.638 11.316 399 HD2 TYR 52 2HD TYR 52 12.433 -1.798 13.342 400 HE1 TYR 52 1HE TYR 52 12.831 1.523 9.736 401 HE2 TYR 52 2HE TYR 52 14.316 -1.922 11.767 402 HH TYR 52 HH TYR 52 15.057 0.613 9.581 403 H ALA 53 H ALA 53 7.364 0.646 14.275 404 HA ALA 53 HA ALA 53 7.159 -1.207 16.399 405 HB1 ALA 53 1HB ALA 53 5.646 0.240 17.345 406 HB2 ALA 53 2HB ALA 53 4.947 0.694 15.792 407 HB3 ALA 53 3HB ALA 53 6.525 1.322 16.267 408 H TYR 54 H TYR 54 4.925 -0.480 13.727 409 HA TYR 54 HA TYR 54 3.235 -2.704 14.406 410 HB2 TYR 54 2HB TYR 54 1.726 -1.875 12.898 411 HB3 TYR 54 1HB TYR 54 2.640 -0.412 13.232 412 HD1 TYR 54 2HD TYR 54 2.223 -3.171 10.789 413 HD2 TYR 54 1HD TYR 54 3.769 0.727 11.497 414 HE1 TYR 54 2HE TYR 54 2.652 -2.914 8.385 415 HE2 TYR 54 1HE TYR 54 4.196 0.997 9.091 416 HH TYR 54 HH TYR 54 4.215 -0.009 7.088 417 H ARG 55 H ARG 55 6.188 -2.632 13.028 418 HA ARG 55 HA ARG 55 6.083 -4.160 10.728 419 HB2 ARG 55 2HB ARG 55 8.143 -3.154 11.478 420 HB3 ARG 55 1HB ARG 55 8.143 -4.131 12.939 421 HG2 ARG 55 2HG ARG 55 8.340 -6.153 11.464 422 HG3 ARG 55 1HG ARG 55 8.595 -5.048 10.112 423 HD2 ARG 55 2HD ARG 55 10.661 -4.405 10.849 424 HD3 ARG 55 1HD ARG 55 10.260 -4.676 12.545 425 HE ARG 55 HE ARG 55 10.366 -7.114 11.068 426 HH11 ARG 55 1HH1 ARG 55 12.339 -4.711 12.653 427 HH12 ARG 55 2HH1 ARG 55 13.647 -5.804 12.956 428 HH21 ARG 55 1HH2 ARG 55 12.085 -8.553 11.466 429 HH22 ARG 55 2HH2 ARG 55 13.503 -7.985 12.282 430 H SER 56 H SER 56 5.439 -5.113 13.990 431 HA SER 56 HA SER 56 5.930 -7.897 13.672 432 HB2 SER 56 2HB SER 56 5.522 -6.318 15.826 433 HB3 SER 56 1HB SER 56 3.920 -7.039 15.672 434 HG SER 56 HG SER 56 5.138 -9.105 15.535 435 H VAL 57 H VAL 57 3.083 -5.850 13.277 436 HA VAL 57 HA VAL 57 1.326 -8.086 12.827 437 HB VAL 57 HB VAL 57 0.483 -6.008 13.840 438 HG11 VAL 57 1HG1 VAL 57 1.522 -4.201 12.902 439 HG12 VAL 57 2HG1 VAL 57 -0.007 -4.165 12.026 440 HG13 VAL 57 3HG1 VAL 57 1.428 -4.853 11.268 441 HG21 VAL 57 3HG2 VAL 57 -0.877 -6.376 11.189 442 HG22 VAL 57 1HG2 VAL 57 -1.595 -5.998 12.754 443 HG23 VAL 57 2HG2 VAL 57 -0.938 -7.608 12.448 444 H TRP 58 H TRP 58 3.447 -6.212 10.883 445 HA TRP 58 HA TRP 58 2.299 -7.462 8.478 446 HB2 TRP 58 2HB TRP 58 2.101 -4.798 8.935 447 HB3 TRP 58 1HB TRP 58 3.647 -4.860 8.095 448 HD1 TRP 58 HD TRP 58 3.403 -4.549 5.578 449 HE1 TRP 58 1HE TRP 58 1.598 -5.048 3.813 450 HE3 TRP 58 3HE TRP 58 -0.099 -6.734 8.594 451 HZ2 TRP 58 2HZ TRP 58 -0.970 -6.214 3.713 452 HZ3 TRP 58 3HZ TRP 58 -2.202 -7.514 7.584 453 HH2 TRP 58 HH TRP 58 -2.627 -7.258 5.195 454 H HIS 59 H HIS 59 4.187 -6.559 6.652 455 HA HIS 59 HA HIS 59 6.247 -8.423 6.950 456 HB2 HIS 59 2HB HIS 59 5.826 -6.073 5.130 457 HB3 HIS 59 1HB HIS 59 7.331 -6.982 5.072 458 HD1 HIS 59 1HD HIS 59 3.612 -7.477 4.584 459 HD2 HIS 59 2HD HIS 59 7.218 -9.307 3.632 460 HE1 HIS 59 1HE HIS 59 3.023 -9.341 3.001 461 HE2 HIS 59 2HE HIS 59 5.210 -10.491 2.511 462 HA PRO 60 HA PRO 60 9.489 -6.677 9.350 463 HB2 PRO 60 2HB PRO 60 11.624 -6.714 7.556 464 HB3 PRO 60 1HB PRO 60 11.127 -8.054 8.592 465 HG2 PRO 60 2HG PRO 60 10.512 -7.550 5.716 466 HG3 PRO 60 1HG PRO 60 10.855 -9.082 6.541 467 HD2 PRO 60 2HD PRO 60 8.360 -8.406 5.861 468 HD3 PRO 60 1HD PRO 60 8.696 -9.249 7.388 469 H ALA 61 H ALA 61 11.421 -5.009 9.107 470 HA ALA 61 HA ALA 61 10.198 -2.581 8.052 471 HB1 ALA 61 1HB ALA 61 10.948 -2.487 10.337 472 HB2 ALA 61 2HB ALA 61 11.950 -1.418 9.356 473 HB3 ALA 61 3HB ALA 61 12.572 -2.988 9.864 474 H ARG 62 H ARG 62 10.647 -2.087 6.010 475 HA ARG 62 HA ARG 62 13.145 -1.355 5.092 476 HB2 ARG 62 2HB ARG 62 12.761 -4.212 5.024 477 HB3 ARG 62 1HB ARG 62 12.940 -3.595 3.388 478 HG2 ARG 62 2HG ARG 62 14.859 -2.859 5.570 479 HG3 ARG 62 1HG ARG 62 15.046 -4.328 4.611 480 HD2 ARG 62 2HD ARG 62 15.121 -3.000 2.570 481 HD3 ARG 62 1HD ARG 62 14.881 -1.525 3.505 482 HE ARG 62 HE ARG 62 17.178 -3.040 4.327 483 HH11 ARG 62 1HH1 ARG 62 15.995 -0.647 2.079 484 HH12 ARG 62 2HH1 ARG 62 17.557 0.047 1.802 485 HH21 ARG 62 1HH2 ARG 62 19.233 -2.128 3.964 486 HH22 ARG 62 2HH2 ARG 62 19.396 -0.795 2.872 487 H THR 63 H THR 63 10.537 -0.399 4.926 488 HA THR 63 HA THR 63 10.340 0.071 2.098 489 HB THR 63 HB THR 63 7.711 -0.784 3.049 490 HG1 THR 63 1HG THR 63 8.904 -2.370 4.109 491 HG21 THR 63 3HG2 THR 63 7.505 -1.787 0.945 492 HG22 THR 63 1HG2 THR 63 9.252 -1.855 0.714 493 HG23 THR 63 2HG2 THR 63 8.416 -0.303 0.665 494 H VAL 64 H VAL 64 10.923 1.862 4.054 495 HA VAL 64 HA VAL 64 8.793 3.198 5.258 496 HB VAL 64 HB VAL 64 11.400 4.337 4.234 497 HG11 VAL 64 1HG1 VAL 64 10.984 6.212 5.765 498 HG12 VAL 64 2HG1 VAL 64 9.388 5.553 6.128 499 HG13 VAL 64 3HG1 VAL 64 9.760 6.117 4.499 500 HG21 VAL 64 3HG2 VAL 64 12.089 4.181 6.588 501 HG22 VAL 64 1HG2 VAL 64 11.688 2.602 5.910 502 HG23 VAL 64 2HG2 VAL 64 10.546 3.419 6.978 503 H SER 65 H SER 65 10.038 3.341 1.983 504 HA SER 65 HA SER 65 8.712 5.638 1.088 505 HB2 SER 65 2HB SER 65 8.931 4.660 -1.175 506 HB3 SER 65 1HB SER 65 10.430 4.508 -0.258 507 HG SER 65 HG SER 65 8.570 2.532 -0.974 508 H GLN 66 H GLN 66 7.703 2.263 1.260 509 HA GLN 66 HA GLN 66 5.175 2.566 0.066 510 HB2 GLN 66 2HB GLN 66 6.634 0.464 1.140 511 HB3 GLN 66 1HB GLN 66 5.247 0.585 2.214 512 HG2 GLN 66 2HG GLN 66 3.801 0.545 0.145 513 HG3 GLN 66 1HG GLN 66 5.255 0.107 -0.749 514 HE21 GLN 66 1HE2 GLN 66 5.535 -1.977 -1.039 515 HE22 GLN 66 2HE2 GLN 66 4.942 -3.241 -0.021 516 H LEU 67 H LEU 67 6.353 3.040 3.334 517 HA LEU 67 HA LEU 67 3.950 3.274 4.718 518 HB2 LEU 67 2HB LEU 67 6.325 3.291 5.642 519 HB3 LEU 67 1HB LEU 67 6.371 4.990 5.219 520 HG LEU 67 HG LEU 67 5.863 4.602 7.604 521 HD11 LEU 67 1HD1 LEU 67 4.272 6.288 7.771 522 HD12 LEU 67 2HD1 LEU 67 3.430 5.771 6.309 523 HD13 LEU 67 3HD1 LEU 67 5.001 6.566 6.191 524 HD21 LEU 67 3HD2 LEU 67 3.108 3.870 7.309 525 HD22 LEU 67 1HD2 LEU 67 4.371 3.105 8.273 526 HD23 LEU 67 2HD2 LEU 67 4.141 2.636 6.587 527 H TYR 68 H TYR 68 5.852 5.771 3.096 528 HA TYR 68 HA TYR 68 4.045 7.879 3.583 529 HB2 TYR 68 2HB TYR 68 6.215 7.448 1.538 530 HB3 TYR 68 1HB TYR 68 5.218 8.898 1.521 531 HD1 TYR 68 2HD TYR 68 6.091 7.336 4.715 532 HD2 TYR 68 1HD TYR 68 7.182 10.310 1.871 533 HE1 TYR 68 2HE TYR 68 7.576 8.375 6.375 534 HE2 TYR 68 1HE TYR 68 8.669 11.355 3.526 535 HH TYR 68 HH TYR 68 8.616 10.508 6.838 536 H ASP 69 H ASP 69 4.170 5.332 1.218 537 HA ASP 69 HA ASP 69 2.387 6.444 -0.665 538 HB2 ASP 69 2HB ASP 69 3.696 3.887 -0.220 539 HB3 ASP 69 1HB ASP 69 2.057 3.685 -0.831 540 H HIS 70 H HIS 70 1.832 4.175 2.024 541 HA HIS 70 HA HIS 70 -1.004 4.175 1.579 542 HB2 HIS 70 2HB HIS 70 -0.319 3.399 4.281 543 HB3 HIS 70 1HB HIS 70 -1.059 2.449 3.004 544 HD1 HIS 70 1HD HIS 70 1.910 2.676 5.011 545 HD2 HIS 70 2HD HIS 70 0.999 1.279 1.208 546 HE1 HIS 70 1HE HIS 70 3.810 1.169 4.383 547 HE2 HIS 70 2HE HIS 70 3.177 0.230 2.129 548 H TRP 71 H TRP 71 1.234 5.882 3.639 549 HA TRP 71 HA TRP 71 -0.743 7.155 5.238 550 HB2 TRP 71 2HB TRP 71 1.886 6.826 5.551 551 HB3 TRP 71 1HB TRP 71 1.915 8.434 4.829 552 HD1 TRP 71 HD TRP 71 1.266 6.661 8.065 553 HE1 TRP 71 1HE TRP 71 0.587 8.363 9.873 554 HE3 TRP 71 3HE TRP 71 0.543 10.760 5.094 555 HZ2 TRP 71 2HZ TRP 71 -0.156 11.082 10.021 556 HZ3 TRP 71 3HZ TRP 71 -0.151 12.871 6.148 557 HH2 TRP 71 HH TRP 71 -0.493 13.028 8.561 558 H ARG 72 H ARG 72 0.708 7.835 2.132 559 HA ARG 72 HA ARG 72 -0.148 10.574 2.042 560 HB2 ARG 72 2HB ARG 72 1.039 8.653 0.084 561 HB3 ARG 72 1HB ARG 72 0.251 10.101 -0.526 562 HG2 ARG 72 2HG ARG 72 1.760 11.515 0.650 563 HG3 ARG 72 1HG ARG 72 2.443 10.148 1.532 564 HD2 ARG 72 2HD ARG 72 3.932 10.838 -0.261 565 HD3 ARG 72 1HD ARG 72 3.293 9.225 -0.572 566 HE ARG 72 HE ARG 72 1.575 10.808 -1.914 567 HH11 ARG 72 1HH1 ARG 72 5.061 10.609 -1.876 568 HH12 ARG 72 2HH1 ARG 72 5.232 11.137 -3.518 569 HH21 ARG 72 1HH2 ARG 72 1.800 11.500 -4.070 570 HH22 ARG 72 2HH2 ARG 72 3.382 11.643 -4.762 571 H GLY 73 H GLY 73 -1.356 7.491 0.835 572 HA2 GLY 73 2HA GLY 73 -3.539 8.520 -0.635 573 HA3 GLY 73 1HA GLY 73 -3.400 6.880 -0.015 574 H THR 74 H THR 74 -3.176 7.589 2.748 575 HA THR 74 HA THR 74 -5.958 7.855 3.360 576 HB THR 74 HB THR 74 -4.964 7.956 5.775 577 HG1 THR 74 1HG THR 74 -2.827 8.432 5.036 578 HG21 THR 74 3HG2 THR 74 -4.703 5.563 3.982 579 HG22 THR 74 1HG2 THR 74 -6.015 5.955 5.093 580 HG23 THR 74 2HG2 THR 74 -4.430 5.507 5.724 581 H LEU 75 H LEU 75 -3.141 9.950 3.515 582 HA LEU 75 HA LEU 75 -4.657 12.314 3.395 583 HB2 LEU 75 2HB LEU 75 -5.095 11.537 5.782 584 HB3 LEU 75 1HB LEU 75 -3.406 11.888 6.101 585 HG LEU 75 HG LEU 75 -4.149 14.246 5.040 586 HD11 LEU 75 1HD1 LEU 75 -6.365 14.811 6.056 587 HD12 LEU 75 2HD1 LEU 75 -6.617 13.085 6.312 588 HD13 LEU 75 3HD1 LEU 75 -6.441 13.716 4.676 589 HD21 LEU 75 3HD2 LEU 75 -4.773 14.737 7.597 590 HD22 LEU 75 1HD2 LEU 75 -3.119 14.486 7.039 591 HD23 LEU 75 2HD2 LEU 75 -4.010 13.159 7.783 592 H ARG 76 H ARG 76 -3.026 12.484 1.746 593 HA ARG 76 HA ARG 76 -0.258 12.701 2.464 594 HB2 ARG 76 2HB ARG 76 0.077 13.385 0.132 595 HB3 ARG 76 1HB ARG 76 -0.909 11.933 0.239 596 HG2 ARG 76 2HG ARG 76 -2.925 13.437 0.019 597 HG3 ARG 76 1HG ARG 76 -1.799 14.731 -0.391 598 HD2 ARG 76 2HD ARG 76 -1.285 13.827 -2.416 599 HD3 ARG 76 1HD ARG 76 -1.521 12.173 -1.858 600 HE ARG 76 HE ARG 76 -3.719 12.299 -2.498 601 HH11 ARG 76 1HH1 ARG 76 -2.350 15.509 -2.476 602 HH12 ARG 76 2HH1 ARG 76 -3.723 16.234 -3.243 603 HH21 ARG 76 1HH2 ARG 76 -5.524 13.251 -3.507 604 HH22 ARG 76 2HH2 ARG 76 -5.525 14.954 -3.828 605 H TYR 77 H TYR 77 0.573 14.375 3.506 606 HA TYR 77 HA TYR 77 -0.781 16.902 3.651 607 HB2 TYR 77 2HB TYR 77 1.147 17.575 5.063 608 HB3 TYR 77 1HB TYR 77 0.397 16.075 5.604 609 HD1 TYR 77 1HD TYR 77 3.364 17.558 4.027 610 HD2 TYR 77 2HD TYR 77 1.586 13.978 5.486 611 HE1 TYR 77 1HE TYR 77 5.553 16.440 3.936 612 HE2 TYR 77 2HE TYR 77 3.770 12.851 5.399 613 HH TYR 77 HH TYR 77 6.073 13.423 3.813 614 H LYS 78 H LYS 78 -0.545 18.577 2.333 615 HA LYS 78 HA LYS 78 1.987 18.992 0.943 616 HB2 LYS 78 2HB LYS 78 -0.055 17.740 -0.376 617 HB3 LYS 78 1HB LYS 78 -0.361 19.424 -0.778 618 HG2 LYS 78 2HG LYS 78 2.300 18.077 -1.162 619 HG3 LYS 78 1HG LYS 78 1.062 18.185 -2.413 620 HD2 LYS 78 2HD LYS 78 1.430 20.391 -2.771 621 HD3 LYS 78 1HD LYS 78 1.782 20.716 -1.074 622 HE2 LYS 78 2HE LYS 78 3.992 20.401 -1.345 623 HE3 LYS 78 1HE LYS 78 3.762 19.029 -2.428 624 HZ1 LYS 78 3HZ LYS 78 3.449 21.879 -3.206 625 HZ2 LYS 78 1HZ LYS 78 3.325 20.541 -4.235 626 HZ3 LYS 78 2HZ LYS 78 4.811 20.931 -3.528 627 H VAL 79 H VAL 79 -1.338 20.242 1.250 628 HA VAL 79 HA VAL 79 -0.357 22.776 2.205 629 HB VAL 79 HB VAL 79 -0.106 23.072 -0.224 630 HG11 VAL 79 1HG1 VAL 79 -1.568 21.965 -1.506 631 HG12 VAL 79 2HG1 VAL 79 -2.629 23.350 -1.247 632 HG13 VAL 79 3HG1 VAL 79 -2.788 21.916 -0.233 633 HG21 VAL 79 3HG2 VAL 79 -1.772 24.705 1.506 634 HG22 VAL 79 1HG2 VAL 79 -2.126 24.958 -0.204 635 HG23 VAL 79 2HG2 VAL 79 -0.483 25.179 0.401 636 H ILE 80 H ILE 80 -1.904 21.011 3.536 637 HA ILE 80 HA ILE 80 -4.379 22.507 3.842 638 HB ILE 80 HB ILE 80 -4.858 20.620 2.247 639 HG12 ILE 80 2HG1 ILE 80 -6.943 19.976 3.345 640 HG13 ILE 80 1HG1 ILE 80 -6.310 20.502 4.900 641 HG21 ILE 80 1HG2 ILE 80 -4.769 18.746 4.563 642 HG22 ILE 80 2HG2 ILE 80 -3.294 19.068 3.650 643 HG23 ILE 80 3HG2 ILE 80 -4.709 18.406 2.834 644 HD11 ILE 80 3HD1 ILE 80 -6.839 22.628 4.512 645 HD12 ILE 80 1HD1 ILE 80 -7.845 21.997 3.208 646 HD13 ILE 80 2HD1 ILE 80 -6.217 22.577 2.863 647 H GLN 81 H GLN 81 -2.175 22.514 5.495 648 HA GLN 81 HA GLN 81 -3.341 21.695 7.973 649 HB2 GLN 81 2HB GLN 81 -1.805 19.758 6.725 650 HB3 GLN 81 1HB GLN 81 -0.682 20.497 7.857 651 HG2 GLN 81 2HG GLN 81 -1.557 18.886 9.191 652 HG3 GLN 81 1HG GLN 81 -2.695 20.191 9.527 653 HE21 GLN 81 1HE2 GLN 81 -2.250 17.069 8.184 654 HE22 GLN 81 2HE2 GLN 81 -3.897 16.771 7.757 655 H GLN 82 H GLN 82 -2.914 23.325 9.293 656 HA GLN 82 HA GLN 82 -0.599 25.024 8.792 657 HB2 GLN 82 2HB GLN 82 -3.082 25.756 9.316 658 HB3 GLN 82 1HB GLN 82 -2.558 25.557 10.983 659 HG2 GLN 82 2HG GLN 82 -2.285 27.843 10.385 660 HG3 GLN 82 1HG GLN 82 -0.684 27.117 10.520 661 HE21 GLN 82 1HE2 GLN 82 0.528 26.758 8.652 662 HE22 GLN 82 2HE2 GLN 82 0.166 27.555 7.161 663 H GLN 83 H GLN 83 1.141 23.871 9.570 664 HA GLN 83 HA GLN 83 1.120 23.295 12.460 665 HB2 GLN 83 2HB GLN 83 1.668 21.558 10.358 666 HB3 GLN 83 1HB GLN 83 3.259 22.003 10.963 667 HG2 GLN 83 2HG GLN 83 1.436 21.391 13.119 668 HG3 GLN 83 1HG GLN 83 1.567 20.056 11.976 669 HE21 GLN 83 1HE2 GLN 83 2.694 18.717 13.328 670 HE22 GLN 83 2HE2 GLN 83 4.322 19.020 13.824 671 H GLY 84 H GLY 84 3.745 23.018 12.996 672 HA2 GLY 84 2HA GLY 84 5.687 24.604 12.011 673 HA3 GLY 84 1HA GLY 84 4.664 25.762 12.848 674 H TYR 85 H TYR 85 4.960 26.057 14.973 675 HA TYR 85 HA TYR 85 7.109 24.664 16.272 676 HB2 TYR 85 2HB TYR 85 5.296 26.932 17.005 677 HB3 TYR 85 1HB TYR 85 6.242 26.140 18.260 678 HD1 TYR 85 2HD TYR 85 8.786 25.605 17.003 679 HD2 TYR 85 1HD TYR 85 6.253 28.997 16.584 680 HE1 TYR 85 2HE TYR 85 10.735 26.979 16.407 681 HE2 TYR 85 1HE TYR 85 8.194 30.381 15.985 682 HH TYR 85 HH TYR 85 11.355 29.434 16.493 683 H ARG 86 H ARG 86 6.599 24.172 18.759 684 HA ARG 86 HA ARG 86 4.061 22.858 19.170 685 HB2 ARG 86 2HB ARG 86 5.727 21.295 17.863 686 HB3 ARG 86 1HB ARG 86 6.449 21.079 19.451 687 HG2 ARG 86 2HG ARG 86 4.859 19.662 20.065 688 HG3 ARG 86 1HG ARG 86 3.585 20.781 19.579 689 HD2 ARG 86 2HD ARG 86 3.529 19.947 17.392 690 HD3 ARG 86 1HD ARG 86 5.097 19.159 17.559 691 HE ARG 86 HE ARG 86 3.151 18.107 19.367 692 HH11 ARG 86 1HH1 ARG 86 4.302 17.966 16.075 693 HH12 ARG 86 2HH1 ARG 86 3.722 16.354 15.811 694 HH21 ARG 86 1HH2 ARG 86 2.387 15.988 19.020 695 HH22 ARG 86 2HH2 ARG 86 2.635 15.233 17.481 696 H GLY 87 H GLY 87 3.761 24.043 21.012 697 HA2 GLY 87 2HA GLY 87 4.838 23.108 23.417 698 HA3 GLY 87 1HA GLY 87 5.738 24.546 22.960 699 H LYS 88 H LYS 88 2.310 23.932 22.383 700 HA LYS 88 HA LYS 88 1.626 25.924 24.425 701 HB2 LYS 88 2HB LYS 88 0.638 25.959 21.568 702 HB3 LYS 88 1HB LYS 88 0.037 26.993 22.855 703 HG2 LYS 88 2HG LYS 88 2.599 27.621 23.053 704 HG3 LYS 88 1HG LYS 88 2.596 27.108 21.364 705 HD2 LYS 88 2HD LYS 88 1.994 29.243 20.975 706 HD3 LYS 88 1HD LYS 88 0.385 28.666 21.419 707 HE2 LYS 88 2HE LYS 88 0.395 29.758 23.398 708 HE3 LYS 88 1HE LYS 88 2.119 29.497 23.653 709 HZ1 LYS 88 3HZ LYS 88 0.749 31.705 22.358 710 HZ2 LYS 88 1HZ LYS 88 2.177 31.190 21.606 711 HZ3 LYS 88 2HZ LYS 88 2.203 31.689 23.222 712 H ASN 89 H ASN 89 1.397 23.034 24.366 713 HA ASN 89 HA ASN 89 -1.534 22.799 24.533 714 HB2 ASN 89 2HB ASN 89 0.018 21.416 22.762 715 HB3 ASN 89 1HB ASN 89 -0.033 20.297 24.121 716 HD21 ASN 89 1HD2 ASN 89 -1.133 19.490 21.832 717 HD22 ASN 89 2HD2 ASN 89 -2.858 19.490 21.933 718 H SER 90 H SER 90 0.343 23.589 26.600 719 HA SER 90 HA SER 90 0.509 21.279 28.364 720 HB2 SER 90 2HB SER 90 2.416 22.837 28.255 721 HB3 SER 90 1HB SER 90 1.375 24.148 28.813 722 HG SER 90 HG SER 90 2.082 23.494 30.697 723 H VAL 91 H VAL 91 -0.239 21.504 30.633 724 HA VAL 91 HA VAL 91 -2.909 22.715 30.664 725 HB VAL 91 HB VAL 91 -2.764 20.309 31.171 726 HG11 VAL 91 1HG1 VAL 91 -1.630 20.669 33.844 727 HG12 VAL 91 2HG1 VAL 91 -0.481 20.928 32.533 728 HG13 VAL 91 3HG1 VAL 91 -1.351 19.399 32.653 729 HG21 VAL 91 3HG2 VAL 91 -4.312 22.136 32.384 730 HG22 VAL 91 1HG2 VAL 91 -3.522 21.434 33.795 731 HG23 VAL 91 2HG2 VAL 91 -4.436 20.404 32.692 732 H ALA 92 H ALA 92 0.188 22.787 32.281 733 HA ALA 92 HA ALA 92 -0.697 25.150 33.772 734 HB1 ALA 92 1HB ALA 92 0.572 24.328 35.771 735 HB2 ALA 92 2HB ALA 92 0.680 22.757 34.975 736 HB3 ALA 92 3HB ALA 92 -0.895 23.423 35.402 737 H ALA 93 H ALA 93 0.948 26.632 34.275 738 HA ALA 93 HA ALA 93 3.465 26.186 32.807 739 HB1 ALA 93 1HB ALA 93 1.656 28.097 32.246 740 HB2 ALA 93 2HB ALA 93 3.385 28.274 31.953 741 HB3 ALA 93 3HB ALA 93 2.663 28.958 33.409 742 H ARG 94 H ARG 94 5.392 27.120 33.694 743 HA ARG 94 HA ARG 94 5.455 28.285 36.286 744 HB2 ARG 94 2HB ARG 94 4.952 25.770 36.664 745 HB3 ARG 94 1HB ARG 94 6.634 25.522 36.215 746 HG2 ARG 94 2HG ARG 94 6.964 27.431 38.055 747 HG3 ARG 94 1HG ARG 94 5.472 26.706 38.657 748 HD2 ARG 94 2HD ARG 94 6.514 24.534 38.757 749 HD3 ARG 94 1HD ARG 94 7.979 25.163 38.003 750 HE ARG 94 HE ARG 94 7.710 26.687 40.226 751 HH11 ARG 94 1HH1 ARG 94 7.772 23.243 39.669 752 HH12 ARG 94 2HH1 ARG 94 8.461 22.879 41.214 753 HH21 ARG 94 1HH2 ARG 94 8.615 26.209 42.261 754 HH22 ARG 94 2HH2 ARG 94 8.941 24.561 42.686 755 H SER 95 H SER 95 7.129 29.611 36.173 756 HA SER 95 HA SER 95 9.445 28.829 34.536 757 HB2 SER 95 2HB SER 95 8.099 31.434 35.058 758 HB3 SER 95 1HB SER 95 9.846 31.453 34.823 759 HG SER 95 HG SER 95 8.558 31.688 32.873 760 HA PRO 96 HA PRO 96 11.161 28.593 38.778 761 HB2 PRO 96 2HB PRO 96 13.235 26.971 38.082 762 HB3 PRO 96 1HB PRO 96 11.619 26.368 38.462 763 HG2 PRO 96 2HG PRO 96 12.876 26.863 35.791 764 HG3 PRO 96 1HG PRO 96 11.882 25.495 36.323 765 HD2 PRO 96 2HD PRO 96 10.880 27.511 34.836 766 HD3 PRO 96 1HD PRO 96 9.908 26.661 36.055 767 H GLU 97 H GLU 97 13.078 29.432 39.690 768 HA GLU 97 HA GLU 97 14.171 31.660 38.400 769 HB2 GLU 97 2HB GLU 97 15.351 30.111 40.715 770 HB3 GLU 97 1HB GLU 97 15.740 31.767 40.269 771 HG2 GLU 97 2HG GLU 97 12.977 30.890 41.053 772 HG3 GLU 97 1HG GLU 97 14.169 31.483 42.208 773 H LYS 98 H LYS 98 16.259 32.068 37.582 774 HA LYS 98 HA LYS 98 17.553 29.683 36.454 775 HB2 LYS 98 2HB LYS 98 17.574 32.564 35.547 776 HB3 LYS 98 1HB LYS 98 18.549 31.299 34.815 777 HG2 LYS 98 2HG LYS 98 15.888 30.360 34.887 778 HG3 LYS 98 1HG LYS 98 15.847 32.016 34.279 779 HD2 LYS 98 2HD LYS 98 17.756 31.297 32.731 780 HD3 LYS 98 1HD LYS 98 17.318 29.645 33.168 781 HE2 LYS 98 2HE LYS 98 15.076 31.369 32.360 782 HE3 LYS 98 1HE LYS 98 16.248 31.016 31.091 783 HZ1 LYS 98 3HZ LYS 98 15.379 28.752 32.691 784 HZ2 LYS 98 1HZ LYS 98 15.660 28.858 31.025 785 HZ3 LYS 98 2HZ LYS 98 14.206 29.428 31.676 786 H ALA 99 H ALA 99 18.013 30.658 39.163 787 HA ALA 99 HA ALA 99 20.840 31.465 38.943 788 HB1 ALA 99 1HB ALA 99 19.501 31.766 41.548 789 HB2 ALA 99 2HB ALA 99 18.916 32.817 40.260 790 HB3 ALA 99 3HB ALA 99 20.620 32.842 40.713 791 H SER 100 H SER 100 19.764 28.741 38.768 792 HA SER 100 HA SER 100 21.637 27.415 40.380 793 HB2 SER 100 2HB SER 100 19.994 28.049 42.168 794 HB3 SER 100 1HB SER 100 18.791 27.058 41.346 795 HG SER 100 HG SER 100 21.259 26.180 42.439 796 H ASN 101 H ASN 101 20.784 27.418 37.678 797 HA ASN 101 HA ASN 101 19.123 25.250 37.013 798 HB2 ASN 101 2HB ASN 101 20.673 27.180 35.627 799 HB3 ASN 101 1HB ASN 101 21.151 25.601 35.014 800 HD21 ASN 101 1HD2 ASN 101 19.799 27.586 33.538 801 HD22 ASN 101 2HD2 ASN 101 18.247 26.962 33.105 802 H MET 102 H MET 102 19.602 23.140 36.353 803 HA MET 102 HA MET 102 20.616 21.108 36.478 804 HB2 MET 102 2HB MET 102 22.627 22.949 35.577 805 HB3 MET 102 1HB MET 102 23.372 21.731 36.603 806 HG2 MET 102 2HG MET 102 21.892 20.124 35.089 807 HG3 MET 102 1HG MET 102 22.083 21.460 33.955 808 HE1 MET 102 3HE MET 102 23.088 20.026 32.300 809 HE2 MET 102 1HE MET 102 24.820 19.701 32.216 810 HE3 MET 102 2HE MET 102 24.235 21.365 32.235 811 H GLU 103 H GLU 103 22.382 19.847 37.788 812 HA GLU 103 HA GLU 103 23.058 19.090 39.822 813 HB2 GLU 103 2HB GLU 103 24.188 21.482 39.618 814 HB3 GLU 103 1HB GLU 103 23.105 21.850 40.953 815 HG2 GLU 103 2HG GLU 103 24.287 19.427 41.641 816 HG3 GLU 103 1HG GLU 103 25.587 20.391 40.943 817 H ASN 104 H ASN 104 20.476 18.736 39.550 818 HA ASN 104 HA ASN 104 19.399 19.373 42.201 819 HB2 ASN 104 2HB ASN 104 18.497 20.750 40.071 820 HB3 ASN 104 1HB ASN 104 17.445 19.341 39.969 821 HD21 ASN 104 1HD2 ASN 104 15.875 21.146 40.353 822 HD22 ASN 104 2HD2 ASN 104 15.473 21.501 41.996 823 H ASN 105 H ASN 105 18.269 17.747 43.159 824 HA ASN 105 HA ASN 105 17.721 15.340 41.562 825 HB2 ASN 105 2HB ASN 105 19.856 15.322 43.097 826 HB3 ASN 105 1HB ASN 105 18.683 15.070 44.386 827 HD21 ASN 105 1HD2 ASN 105 20.776 13.317 43.276 828 HD22 ASN 105 2HD2 ASN 105 19.964 11.862 42.819 829 H GLU 106 H GLU 106 15.960 14.096 42.221 830 HA GLU 106 HA GLU 106 13.882 13.716 43.063 831 HB2 GLU 106 2HB GLU 106 15.032 15.163 45.454 832 HB3 GLU 106 1HB GLU 106 13.502 14.298 45.455 833 HG2 GLU 106 2HG GLU 106 14.504 12.352 45.786 834 HG3 GLU 106 1HG GLU 106 15.635 12.632 44.464 Start of MODEL 4 1 H1 GLY 1 1HT GLY 1 -2.202 -36.472 12.082 2 H2 GLY 1 2HT GLY 1 -1.867 -37.293 10.642 3 H3 GLY 1 3HT GLY 1 -2.748 -35.849 10.607 4 HA2 GLY 1 1HA GLY 1 -0.935 -34.530 10.900 5 HA3 GLY 1 2HA GLY 1 -0.077 -35.776 11.793 6 HA PRO 2 HA PRO 2 0.979 -35.375 7.025 7 HB2 PRO 2 2HB PRO 2 3.432 -34.155 8.200 8 HB3 PRO 2 1HB PRO 2 2.587 -33.761 6.699 9 HG2 PRO 2 2HG PRO 2 2.367 -32.185 8.831 10 HG3 PRO 2 1HG PRO 2 0.970 -32.501 7.786 11 HD2 PRO 2 2HD PRO 2 1.610 -33.609 10.483 12 HD3 PRO 2 1HD PRO 2 0.038 -33.176 9.784 13 H GLY 3 H GLY 3 2.653 -36.219 9.998 14 HA2 GLY 3 2HA GLY 3 3.359 -38.524 10.286 15 HA3 GLY 3 1HA GLY 3 3.815 -38.537 8.590 16 H SER 4 H SER 4 4.547 -35.816 10.641 17 HA SER 4 HA SER 4 7.232 -36.720 11.212 18 HB2 SER 4 2HB SER 4 6.944 -35.576 8.777 19 HB3 SER 4 1HB SER 4 7.228 -34.138 9.759 20 HG SER 4 HG SER 4 9.208 -34.836 10.245 21 H LEU 5 H LEU 5 8.416 -35.219 12.574 22 HA LEU 5 HA LEU 5 6.663 -33.277 13.931 23 HB2 LEU 5 2HB LEU 5 7.814 -33.864 16.044 24 HB3 LEU 5 1HB LEU 5 6.872 -35.179 15.371 25 HG LEU 5 HG LEU 5 9.822 -34.998 14.851 26 HD11 LEU 5 1HD1 LEU 5 9.789 -36.758 16.832 27 HD12 LEU 5 2HD1 LEU 5 8.443 -35.753 17.365 28 HD13 LEU 5 3HD1 LEU 5 10.033 -35.035 17.114 29 HD21 LEU 5 3HD2 LEU 5 9.127 -37.620 15.114 30 HD22 LEU 5 1HD2 LEU 5 9.196 -36.741 13.587 31 HD23 LEU 5 2HD2 LEU 5 7.657 -36.928 14.428 32 H SER 6 H SER 6 9.972 -34.165 13.070 33 HA SER 6 HA SER 6 10.865 -31.454 13.744 34 HB2 SER 6 2HB SER 6 12.046 -33.851 14.288 35 HB3 SER 6 1HB SER 6 12.867 -33.400 12.794 36 HG SER 6 HG SER 6 12.693 -31.879 15.181 37 H ASN 7 H ASN 7 12.525 -30.520 12.205 38 HA ASN 7 HA ASN 7 11.583 -30.911 9.444 39 HB2 ASN 7 2HB ASN 7 12.435 -28.560 9.085 40 HB3 ASN 7 1HB ASN 7 11.054 -28.696 10.170 41 HD21 ASN 7 1HD2 ASN 7 11.717 -26.603 10.933 42 HD22 ASN 7 2HD2 ASN 7 12.969 -26.479 12.116 43 H PHE 8 H PHE 8 13.045 -31.125 7.781 44 HA PHE 8 HA PHE 8 15.849 -30.754 8.105 45 HB2 PHE 8 2HB PHE 8 15.025 -33.089 9.217 46 HB3 PHE 8 1HB PHE 8 15.343 -33.615 7.568 47 HD1 PHE 8 1HD PHE 8 17.647 -32.764 6.585 48 HD2 PHE 8 2HD PHE 8 16.750 -33.148 10.727 49 HE1 PHE 8 1HE PHE 8 20.051 -32.899 7.090 50 HE2 PHE 8 2HE PHE 8 19.151 -33.283 11.240 51 HZ PHE 8 HZ PHE 8 20.806 -33.158 9.421 52 H ALA 9 H ALA 9 13.729 -32.993 6.306 53 HA ALA 9 HA ALA 9 15.087 -32.572 3.844 54 HB1 ALA 9 1HB ALA 9 12.860 -33.679 2.976 55 HB2 ALA 9 2HB ALA 9 12.631 -34.016 4.692 56 HB3 ALA 9 3HB ALA 9 14.064 -34.616 3.860 57 H ASN 10 H ASN 10 13.502 -32.073 1.856 58 HA ASN 10 HA ASN 10 12.986 -29.297 1.990 59 HB2 ASN 10 2HB ASN 10 13.517 -30.880 -0.053 60 HB3 ASN 10 1HB ASN 10 11.761 -30.994 -0.147 61 HD21 ASN 10 1HD2 ASN 10 10.559 -29.157 -0.644 62 HD22 ASN 10 2HD2 ASN 10 11.281 -27.758 -1.358 63 H VAL 11 H VAL 11 11.475 -28.775 3.523 64 HA VAL 11 HA VAL 11 8.753 -29.818 3.085 65 HB VAL 11 HB VAL 11 9.672 -30.463 5.276 66 HG11 VAL 11 1HG1 VAL 11 10.496 -29.006 6.840 67 HG12 VAL 11 2HG1 VAL 11 9.581 -27.636 6.208 68 HG13 VAL 11 3HG1 VAL 11 11.017 -28.206 5.356 69 HG21 VAL 11 3HG2 VAL 11 7.435 -28.444 5.383 70 HG22 VAL 11 1HG2 VAL 11 7.813 -29.602 6.658 71 HG23 VAL 11 2HG2 VAL 11 7.284 -30.174 5.077 72 H GLY 12 H GLY 12 10.700 -26.967 3.816 73 HA2 GLY 12 2HA GLY 12 9.926 -24.972 2.484 74 HA3 GLY 12 1HA GLY 12 8.350 -25.288 3.194 75 H VAL 13 H VAL 13 7.845 -24.246 5.008 76 HA VAL 13 HA VAL 13 10.031 -22.956 6.505 77 HB VAL 13 HB VAL 13 8.231 -21.343 7.272 78 HG11 VAL 13 1HG1 VAL 13 8.460 -21.062 4.330 79 HG12 VAL 13 2HG1 VAL 13 9.957 -21.165 5.258 80 HG13 VAL 13 3HG1 VAL 13 8.786 -19.894 5.610 81 HG21 VAL 13 3HG2 VAL 13 6.733 -22.556 4.950 82 HG22 VAL 13 1HG2 VAL 13 6.244 -21.135 5.872 83 HG23 VAL 13 2HG2 VAL 13 6.300 -22.715 6.652 84 H GLY 14 H GLY 14 6.930 -24.628 6.772 85 HA2 GLY 14 2HA GLY 14 7.294 -26.301 8.781 86 HA3 GLY 14 1HA GLY 14 7.218 -24.792 9.678 87 H THR 15 H THR 15 5.361 -25.857 6.844 88 HA THR 15 HA THR 15 3.015 -26.574 8.177 89 HB THR 15 HB THR 15 2.818 -24.318 8.952 90 HG1 THR 15 1HG THR 15 0.853 -23.816 8.105 91 HG21 THR 15 3HG2 THR 15 2.513 -22.499 7.115 92 HG22 THR 15 1HG2 THR 15 3.547 -23.570 6.167 93 HG23 THR 15 2HG2 THR 15 4.124 -22.917 7.701 94 H SER 16 H SER 16 3.652 -28.036 6.353 95 HA SER 16 HA SER 16 2.805 -27.068 3.724 96 HB2 SER 16 2HB SER 16 3.756 -29.193 2.876 97 HB3 SER 16 1HB SER 16 4.936 -28.259 3.795 98 HG SER 16 HG SER 16 3.895 -30.730 4.297 99 H SER 17 H SER 17 0.798 -27.378 5.684 100 HA SER 17 HA SER 17 -0.541 -29.890 5.294 101 HB2 SER 17 2HB SER 17 -2.016 -27.511 6.322 102 HB3 SER 17 1HB SER 17 -2.028 -29.179 6.897 103 HG SER 17 HG SER 17 -0.726 -28.451 8.373 104 H GLY 18 H GLY 18 -2.801 -29.985 4.469 105 HA2 GLY 18 2HA GLY 18 -2.898 -28.813 1.843 106 HA3 GLY 18 1HA GLY 18 -4.075 -29.917 2.536 107 H LYS 19 H LYS 19 -3.001 -26.547 2.530 108 HA LYS 19 HA LYS 19 -5.716 -25.626 2.530 109 HB2 LYS 19 2HB LYS 19 -4.189 -25.716 5.032 110 HB3 LYS 19 1HB LYS 19 -4.842 -24.126 4.664 111 HG2 LYS 19 2HG LYS 19 -6.392 -26.696 4.908 112 HG3 LYS 19 1HG LYS 19 -6.393 -25.341 6.041 113 HD2 LYS 19 2HD LYS 19 -7.035 -24.199 3.587 114 HD3 LYS 19 1HD LYS 19 -7.920 -25.725 3.607 115 HE2 LYS 19 2HE LYS 19 -9.299 -25.053 5.259 116 HE3 LYS 19 1HE LYS 19 -8.024 -24.179 6.108 117 HZ1 LYS 19 3HZ LYS 19 -9.173 -22.402 5.392 118 HZ2 LYS 19 1HZ LYS 19 -9.904 -23.233 4.112 119 HZ3 LYS 19 2HZ LYS 19 -8.324 -22.651 3.952 120 H GLN 20 H GLN 20 -5.484 -23.029 3.122 121 HA GLN 20 HA GLN 20 -3.107 -21.949 1.836 122 HB2 GLN 20 2HB GLN 20 -5.113 -22.512 0.178 123 HB3 GLN 20 1HB GLN 20 -5.703 -20.962 0.760 124 HG2 GLN 20 2HG GLN 20 -4.517 -20.395 -1.137 125 HG3 GLN 20 1HG GLN 20 -3.362 -20.085 0.160 126 HE21 GLN 20 1HE2 GLN 20 -1.625 -21.504 0.453 127 HE22 GLN 20 2HE2 GLN 20 -1.105 -22.574 -0.801 128 H LYS 21 H LYS 21 -2.501 -20.105 2.782 129 HA LYS 21 HA LYS 21 -4.040 -19.018 4.926 130 HB2 LYS 21 2HB LYS 21 -1.408 -19.102 4.449 131 HB3 LYS 21 1HB LYS 21 -1.741 -17.494 3.819 132 HG2 LYS 21 2HG LYS 21 -2.496 -16.716 5.905 133 HG3 LYS 21 1HG LYS 21 -2.619 -18.351 6.557 134 HD2 LYS 21 2HD LYS 21 -0.634 -17.771 7.498 135 HD3 LYS 21 1HD LYS 21 -0.020 -18.342 5.946 136 HE2 LYS 21 2HE LYS 21 -0.476 -15.513 6.848 137 HE3 LYS 21 1HE LYS 21 1.030 -16.266 6.329 138 HZ1 LYS 21 3HZ LYS 21 0.005 -16.507 4.094 139 HZ2 LYS 21 1HZ LYS 21 0.241 -14.901 4.570 140 HZ3 LYS 21 2HZ LYS 21 -1.305 -15.582 4.633 141 H ARG 22 H ARG 22 -4.310 -16.558 5.071 142 HA ARG 22 HA ARG 22 -5.159 -15.432 2.496 143 HB2 ARG 22 2HB ARG 22 -6.803 -15.642 5.014 144 HB3 ARG 22 1HB ARG 22 -7.170 -14.478 3.750 145 HG2 ARG 22 2HG ARG 22 -6.995 -16.739 2.291 146 HG3 ARG 22 1HG ARG 22 -7.581 -17.385 3.825 147 HD2 ARG 22 2HD ARG 22 -9.370 -15.623 3.767 148 HD3 ARG 22 1HD ARG 22 -8.848 -15.243 2.127 149 HE ARG 22 HE ARG 22 -9.309 -17.934 2.094 150 HH11 ARG 22 1HH1 ARG 22 -11.202 -15.124 2.931 151 HH12 ARG 22 2HH1 ARG 22 -12.708 -15.846 2.468 152 HH21 ARG 22 1HH2 ARG 22 -11.287 -18.885 1.486 153 HH22 ARG 22 2HH2 ARG 22 -12.755 -17.982 1.650 154 H TYR 23 H TYR 23 -5.260 -14.453 5.924 155 HA TYR 23 HA TYR 23 -4.496 -12.605 7.002 156 HB2 TYR 23 2HB TYR 23 -2.385 -13.434 5.226 157 HB3 TYR 23 1HB TYR 23 -2.376 -11.681 5.382 158 HD1 TYR 23 2HD TYR 23 -2.694 -14.705 7.561 159 HD2 TYR 23 1HD TYR 23 -1.123 -10.780 7.095 160 HE1 TYR 23 2HE TYR 23 -1.552 -14.912 9.728 161 HE2 TYR 23 1HE TYR 23 0.025 -10.975 9.260 162 HH TYR 23 HH TYR 23 0.298 -13.956 10.934 163 H LYS 24 H LYS 24 -6.524 -12.320 4.944 164 HA LYS 24 HA LYS 24 -5.994 -9.820 3.595 165 HB2 LYS 24 2HB LYS 24 -8.134 -11.851 3.596 166 HB3 LYS 24 1HB LYS 24 -8.677 -10.202 3.320 167 HG2 LYS 24 2HG LYS 24 -6.475 -10.447 1.673 168 HG3 LYS 24 1HG LYS 24 -7.271 -12.017 1.554 169 HD2 LYS 24 2HD LYS 24 -9.404 -10.368 1.376 170 HD3 LYS 24 1HD LYS 24 -8.160 -9.363 0.631 171 HE2 LYS 24 2HE LYS 24 -9.180 -10.618 -1.111 172 HE3 LYS 24 1HE LYS 24 -7.586 -11.318 -0.830 173 HZ1 LYS 24 3HZ LYS 24 -9.202 -13.057 -1.062 174 HZ2 LYS 24 1HZ LYS 24 -10.179 -12.387 0.146 175 HZ3 LYS 24 2HZ LYS 24 -8.666 -13.030 0.542 176 H PHE 25 H PHE 25 -5.475 -9.056 5.953 177 HA PHE 25 HA PHE 25 -7.425 -8.398 7.793 178 HB2 PHE 25 2HB PHE 25 -4.789 -7.260 7.034 179 HB3 PHE 25 1HB PHE 25 -5.839 -6.251 8.021 180 HD1 PHE 25 1HD PHE 25 -7.054 -7.845 9.947 181 HD2 PHE 25 2HD PHE 25 -3.186 -8.339 8.244 182 HE1 PHE 25 1HE PHE 25 -6.329 -9.063 11.959 183 HE2 PHE 25 2HE PHE 25 -2.454 -9.558 10.253 184 HZ PHE 25 HZ PHE 25 -4.026 -9.922 12.112 185 H SER 26 H SER 26 -8.939 -6.749 7.991 186 HA SER 26 HA SER 26 -9.864 -5.552 5.582 187 HB2 SER 26 2HB SER 26 -11.140 -6.158 7.821 188 HB3 SER 26 1HB SER 26 -10.693 -4.513 8.268 189 HG SER 26 HG SER 26 -12.634 -5.354 6.603 190 H ALA 27 H ALA 27 -7.510 -4.722 5.295 191 HA ALA 27 HA ALA 27 -6.156 -2.914 5.028 192 HB1 ALA 27 1HB ALA 27 -8.438 -1.264 6.106 193 HB2 ALA 27 2HB ALA 27 -8.303 -1.788 4.428 194 HB3 ALA 27 3HB ALA 27 -7.088 -0.709 5.115 195 H SER 28 H SER 28 -6.473 -4.418 7.631 196 HA SER 28 HA SER 28 -6.190 -2.764 9.842 197 HB2 SER 28 2HB SER 28 -4.735 -5.383 9.429 198 HB3 SER 28 1HB SER 28 -5.173 -4.641 10.968 199 HG SER 28 HG SER 28 -7.101 -5.453 10.782 200 H GLU 29 H GLU 29 -3.844 -3.625 7.389 201 HA GLU 29 HA GLU 29 -1.501 -2.837 8.712 202 HB2 GLU 29 2HB GLU 29 -1.417 -4.083 6.635 203 HB3 GLU 29 1HB GLU 29 -2.195 -2.763 5.770 204 HG2 GLU 29 2HG GLU 29 0.077 -1.666 6.996 205 HG3 GLU 29 1HG GLU 29 0.581 -3.203 6.297 206 H ASP 30 H ASP 30 -3.570 -0.988 6.475 207 HA ASP 30 HA ASP 30 -2.187 1.454 6.763 208 HB2 ASP 30 2HB ASP 30 -4.994 0.805 5.862 209 HB3 ASP 30 1HB ASP 30 -4.355 2.447 5.868 210 H GLU 31 H GLU 31 -5.018 0.107 8.372 211 HA GLU 31 HA GLU 31 -5.635 2.357 9.941 212 HB2 GLU 31 2HB GLU 31 -6.691 -0.203 9.567 213 HB3 GLU 31 1HB GLU 31 -6.257 -0.145 11.271 214 HG2 GLU 31 2HG GLU 31 -7.524 2.284 10.758 215 HG3 GLU 31 1HG GLU 31 -8.469 1.073 9.894 216 H ALA 32 H ALA 32 -3.301 -0.196 10.293 217 HA ALA 32 HA ALA 32 -2.755 0.210 13.049 218 HB1 ALA 32 1HB ALA 32 -0.474 -0.901 12.169 219 HB2 ALA 32 2HB ALA 32 -1.550 -1.326 10.838 220 HB3 ALA 32 3HB ALA 32 -1.944 -1.823 12.483 221 H ILE 33 H ILE 33 -1.290 1.431 10.067 222 HA ILE 33 HA ILE 33 0.826 2.811 11.331 223 HB ILE 33 HB ILE 33 -0.380 3.828 8.786 224 HG12 ILE 33 2HG1 ILE 33 1.313 1.343 9.118 225 HG13 ILE 33 1HG1 ILE 33 -0.314 1.439 8.454 226 HG21 ILE 33 1HG2 ILE 33 1.767 4.605 8.321 227 HG22 ILE 33 2HG2 ILE 33 2.519 3.493 9.463 228 HG23 ILE 33 3HG2 ILE 33 1.594 4.872 10.055 229 HD11 ILE 33 3HD1 ILE 33 1.792 1.254 6.904 230 HD12 ILE 33 1HD1 ILE 33 1.831 3.003 7.130 231 HD13 ILE 33 2HD1 ILE 33 0.398 2.234 6.447 232 H ILE 34 H ILE 34 -2.449 3.811 10.436 233 HA ILE 34 HA ILE 34 -2.107 6.528 11.131 234 HB ILE 34 HB ILE 34 -4.580 6.644 11.237 235 HG12 ILE 34 2HG1 ILE 34 -4.455 3.687 10.617 236 HG13 ILE 34 1HG1 ILE 34 -4.937 4.368 12.166 237 HG21 ILE 34 1HG2 ILE 34 -3.111 6.617 9.093 238 HG22 ILE 34 2HG2 ILE 34 -4.867 6.516 8.952 239 HG23 ILE 34 3HG2 ILE 34 -3.883 5.059 8.802 240 HD11 ILE 34 3HD1 ILE 34 -6.632 5.667 10.539 241 HD12 ILE 34 1HD1 ILE 34 -6.996 4.124 11.310 242 HD13 ILE 34 2HD1 ILE 34 -6.425 4.165 9.641 243 H LYS 35 H LYS 35 -3.203 3.711 12.953 244 HA LYS 35 HA LYS 35 -3.896 5.137 15.306 245 HB2 LYS 35 2HB LYS 35 -3.866 2.412 14.438 246 HB3 LYS 35 1HB LYS 35 -3.034 2.505 15.984 247 HG2 LYS 35 2HG LYS 35 -5.563 3.989 15.852 248 HG3 LYS 35 1HG LYS 35 -5.708 2.238 15.686 249 HD2 LYS 35 2HD LYS 35 -3.921 3.187 17.833 250 HD3 LYS 35 1HD LYS 35 -5.640 3.521 18.058 251 HE2 LYS 35 2HE LYS 35 -4.503 0.805 17.411 252 HE3 LYS 35 1HE LYS 35 -4.876 1.360 19.042 253 HZ1 LYS 35 3HZ LYS 35 -6.594 0.023 17.532 254 HZ2 LYS 35 1HZ LYS 35 -7.012 1.601 17.086 255 HZ3 LYS 35 2HZ LYS 35 -7.079 1.136 18.710 256 H GLY 36 H GLY 36 -0.956 3.593 14.151 257 HA2 GLY 36 2HA GLY 36 0.571 3.889 16.505 258 HA3 GLY 36 1HA GLY 36 1.217 3.711 14.879 259 H LEU 37 H LEU 37 0.349 5.915 13.590 260 HA LEU 37 HA LEU 37 2.140 7.900 14.344 261 HB2 LEU 37 2HB LEU 37 -0.071 7.646 12.431 262 HB3 LEU 37 1HB LEU 37 0.226 9.292 12.954 263 HG LEU 37 HG LEU 37 1.473 8.995 10.970 264 HD11 LEU 37 1HD1 LEU 37 3.784 8.478 12.667 265 HD12 LEU 37 2HD1 LEU 37 2.682 9.683 13.331 266 HD13 LEU 37 3HD1 LEU 37 3.364 9.906 11.721 267 HD21 LEU 37 3HD2 LEU 37 1.983 6.317 12.089 268 HD22 LEU 37 1HD2 LEU 37 3.309 7.043 11.182 269 HD23 LEU 37 2HD2 LEU 37 1.734 6.824 10.418 270 H ALA 38 H ALA 38 -1.255 7.465 15.167 271 HA ALA 38 HA ALA 38 -1.558 9.998 16.439 272 HB1 ALA 38 1HB ALA 38 -3.167 7.528 16.183 273 HB2 ALA 38 2HB ALA 38 -3.614 9.210 15.901 274 HB3 ALA 38 3HB ALA 38 -3.532 8.586 17.548 275 H ARG 39 H ARG 39 -0.122 7.027 17.401 276 HA ARG 39 HA ARG 39 0.059 8.036 20.160 277 HB2 ARG 39 2HB ARG 39 0.058 5.105 19.472 278 HB3 ARG 39 1HB ARG 39 -0.145 5.853 21.051 279 HG2 ARG 39 2HG ARG 39 -2.260 6.914 19.838 280 HG3 ARG 39 1HG ARG 39 -2.108 5.443 18.876 281 HD2 ARG 39 2HD ARG 39 -2.559 4.068 20.657 282 HD3 ARG 39 1HD ARG 39 -1.968 5.232 21.842 283 HE ARG 39 HE ARG 39 -4.166 6.445 20.854 284 HH11 ARG 39 1HH1 ARG 39 -3.602 3.249 22.140 285 HH12 ARG 39 2HH1 ARG 39 -5.214 3.074 22.749 286 HH21 ARG 39 1HH2 ARG 39 -6.285 6.215 21.653 287 HH22 ARG 39 2HH2 ARG 39 -6.737 4.758 22.472 288 H PHE 40 H PHE 40 1.878 8.289 17.806 289 HA PHE 40 HA PHE 40 4.311 7.725 19.204 290 HB2 PHE 40 2HB PHE 40 3.528 6.052 16.838 291 HB3 PHE 40 1HB PHE 40 5.222 6.407 17.147 292 HD1 PHE 40 1HD PHE 40 6.196 5.751 19.388 293 HD2 PHE 40 2HD PHE 40 2.426 4.349 17.998 294 HE1 PHE 40 1HE PHE 40 6.297 3.894 20.997 295 HE2 PHE 40 2HE PHE 40 2.518 2.491 19.607 296 HZ PHE 40 HZ PHE 40 4.456 2.261 21.110 297 H THR 41 H THR 41 4.661 9.923 18.983 298 HA THR 41 HA THR 41 5.820 10.723 16.465 299 HB THR 41 HB THR 41 4.393 12.893 16.539 300 HG1 THR 41 1HG THR 41 2.662 11.087 17.873 301 HG21 THR 41 3HG2 THR 41 2.995 10.373 15.685 302 HG22 THR 41 1HG2 THR 41 4.251 11.183 14.748 303 HG23 THR 41 2HG2 THR 41 2.728 12.008 15.081 304 H LYS 42 H LYS 42 7.569 10.594 18.105 305 HA LYS 42 HA LYS 42 7.719 13.064 19.707 306 HB2 LYS 42 2HB LYS 42 8.789 10.302 20.196 307 HB3 LYS 42 1HB LYS 42 9.548 11.696 20.952 308 HG2 LYS 42 2HG LYS 42 6.632 11.589 21.240 309 HG3 LYS 42 1HG LYS 42 7.506 10.270 22.022 310 HD2 LYS 42 2HD LYS 42 8.010 11.631 23.706 311 HD3 LYS 42 1HD LYS 42 8.921 12.650 22.590 312 HE2 LYS 42 2HE LYS 42 7.243 14.174 22.394 313 HE3 LYS 42 1HE LYS 42 5.976 12.965 22.610 314 HZ1 LYS 42 3HZ LYS 42 6.179 13.045 24.902 315 HZ2 LYS 42 1HZ LYS 42 6.372 14.668 24.462 316 HZ3 LYS 42 2HZ LYS 42 7.724 13.733 24.860 317 H GLY 43 H GLY 43 8.404 12.764 16.881 318 HA2 GLY 43 2HA GLY 43 10.828 14.183 16.851 319 HA3 GLY 43 1HA GLY 43 11.172 12.500 16.478 320 H GLN 44 H GLN 44 11.896 13.213 14.400 321 HA GLN 44 HA GLN 44 9.823 14.208 12.591 322 HB2 GLN 44 2HB GLN 44 12.771 14.268 12.644 323 HB3 GLN 44 1HB GLN 44 12.062 14.022 11.054 324 HG2 GLN 44 2HG GLN 44 12.410 16.353 11.357 325 HG3 GLN 44 1HG GLN 44 10.675 16.049 11.423 326 HE21 GLN 44 1HE2 GLN 44 9.672 15.974 13.527 327 HE22 GLN 44 2HE2 GLN 44 10.329 16.915 14.819 328 H GLN 45 H GLN 45 11.649 11.354 13.330 329 HA GLN 45 HA GLN 45 10.807 10.036 10.863 330 HB2 GLN 45 2HB GLN 45 13.129 9.865 12.266 331 HB3 GLN 45 1HB GLN 45 12.258 8.479 12.910 332 HG2 GLN 45 2HG GLN 45 11.828 7.915 10.416 333 HG3 GLN 45 1HG GLN 45 13.186 9.002 10.123 334 HE21 GLN 45 1HE2 GLN 45 14.764 7.647 9.547 335 HE22 GLN 45 2HE2 GLN 45 15.340 6.330 10.504 336 H ARG 46 H ARG 46 8.701 10.733 12.524 337 HA ARG 46 HA ARG 46 7.911 8.703 14.315 338 HB2 ARG 46 2HB ARG 46 5.647 9.690 14.086 339 HB3 ARG 46 1HB ARG 46 6.889 10.889 14.410 340 HG2 ARG 46 2HG ARG 46 6.897 11.021 11.754 341 HG3 ARG 46 1HG ARG 46 5.238 10.469 11.993 342 HD2 ARG 46 2HD ARG 46 4.578 12.443 12.828 343 HD3 ARG 46 1HD ARG 46 6.041 12.629 13.794 344 HE ARG 46 HE ARG 46 6.914 13.104 11.286 345 HH11 ARG 46 1HH1 ARG 46 4.253 14.381 13.147 346 HH12 ARG 46 2HH1 ARG 46 4.279 15.923 12.360 347 HH21 ARG 46 1HH2 ARG 46 6.953 15.131 10.250 348 HH22 ARG 46 2HH2 ARG 46 5.811 16.349 10.716 349 H PHE 47 H PHE 47 7.261 9.226 10.874 350 HA PHE 47 HA PHE 47 5.441 7.110 10.529 351 HB2 PHE 47 2HB PHE 47 7.354 8.168 8.444 352 HB3 PHE 47 1HB PHE 47 5.807 7.374 8.167 353 HD1 PHE 47 1HD PHE 47 3.712 8.552 8.594 354 HD2 PHE 47 2HD PHE 47 7.479 10.479 9.044 355 HE1 PHE 47 1HE PHE 47 2.591 10.741 8.576 356 HE2 PHE 47 2HE PHE 47 6.364 12.672 9.031 357 HZ PHE 47 HZ PHE 47 3.917 12.805 8.796 358 H GLN 48 H GLN 48 8.958 7.253 10.061 359 HA GLN 48 HA GLN 48 9.191 4.544 9.235 360 HB2 GLN 48 2HB GLN 48 10.840 6.631 9.047 361 HB3 GLN 48 1HB GLN 48 11.498 5.929 10.519 362 HG2 GLN 48 2HG GLN 48 11.711 3.763 9.277 363 HG3 GLN 48 1HG GLN 48 11.279 4.643 7.812 364 HE21 GLN 48 1HE2 GLN 48 12.618 6.837 7.744 365 HE22 GLN 48 2HE2 GLN 48 14.322 6.605 7.897 366 H GLN 49 H GLN 49 9.766 6.192 12.333 367 HA GLN 49 HA GLN 49 10.677 3.992 13.784 368 HB2 GLN 49 2HB GLN 49 10.594 6.473 14.459 369 HB3 GLN 49 1HB GLN 49 8.950 6.143 14.989 370 HG2 GLN 49 2HG GLN 49 10.035 4.218 16.337 371 HG3 GLN 49 1HG GLN 49 11.529 5.122 16.089 372 HE21 GLN 49 1HE2 GLN 49 9.329 4.568 18.311 373 HE22 GLN 49 2HE2 GLN 49 9.257 6.097 19.111 374 H ILE 50 H ILE 50 7.358 5.250 13.473 375 HA ILE 50 HA ILE 50 6.127 3.290 15.057 376 HB ILE 50 HB ILE 50 5.085 5.447 14.275 377 HG12 ILE 50 2HG1 ILE 50 3.851 3.521 15.349 378 HG13 ILE 50 1HG1 ILE 50 2.863 4.604 14.377 379 HG21 ILE 50 1HG2 ILE 50 3.849 5.379 12.134 380 HG22 ILE 50 2HG2 ILE 50 4.675 3.873 11.741 381 HG23 ILE 50 3HG2 ILE 50 5.599 5.361 11.933 382 HD11 ILE 50 3HD1 ILE 50 3.307 1.771 14.109 383 HD12 ILE 50 1HD1 ILE 50 3.669 2.623 12.609 384 HD13 ILE 50 2HD1 ILE 50 2.085 2.799 13.359 385 H TYR 51 H TYR 51 6.930 3.375 11.636 386 HA TYR 51 HA TYR 51 5.538 1.087 10.818 387 HB2 TYR 51 2HB TYR 51 6.429 2.585 9.166 388 HB3 TYR 51 1HB TYR 51 8.068 2.354 9.764 389 HD1 TYR 51 1HD TYR 51 5.290 0.094 8.666 390 HD2 TYR 51 2HD TYR 51 9.395 1.158 8.317 391 HE1 TYR 51 1HE TYR 51 5.619 -1.732 7.051 392 HE2 TYR 51 2HE TYR 51 9.735 -0.663 6.700 393 HH TYR 51 HH TYR 51 7.417 -3.111 6.171 394 H TYR 52 H TYR 52 8.769 1.494 12.159 395 HA TYR 52 HA TYR 52 9.563 -1.206 11.862 396 HB2 TYR 52 2HB TYR 52 10.599 1.191 13.261 397 HB3 TYR 52 1HB TYR 52 11.129 -0.365 13.891 398 HD1 TYR 52 1HD TYR 52 11.639 -2.051 11.707 399 HD2 TYR 52 2HD TYR 52 12.180 2.164 11.905 400 HE1 TYR 52 1HE TYR 52 13.338 -2.192 9.935 401 HE2 TYR 52 2HE TYR 52 13.879 2.035 10.132 402 HH TYR 52 HH TYR 52 15.299 -0.845 9.153 403 H ALA 53 H ALA 53 7.891 0.542 14.411 404 HA ALA 53 HA ALA 53 8.114 -1.525 16.354 405 HB1 ALA 53 1HB ALA 53 7.680 0.619 17.206 406 HB2 ALA 53 2HB ALA 53 6.176 -0.273 17.436 407 HB3 ALA 53 3HB ALA 53 6.327 0.873 16.104 408 H TYR 54 H TYR 54 5.437 -0.493 14.264 409 HA TYR 54 HA TYR 54 3.877 -2.808 14.950 410 HB2 TYR 54 2HB TYR 54 2.124 -1.709 14.052 411 HB3 TYR 54 1HB TYR 54 3.198 -0.320 14.117 412 HD1 TYR 54 1HD TYR 54 1.714 -2.872 11.914 413 HD2 TYR 54 2HD TYR 54 4.038 0.685 12.108 414 HE1 TYR 54 1HE TYR 54 1.446 -2.574 9.488 415 HE2 TYR 54 2HE TYR 54 3.779 0.992 9.682 416 HH TYR 54 HH TYR 54 2.148 -1.418 7.678 417 H ARG 55 H ARG 55 6.535 -2.560 13.080 418 HA ARG 55 HA ARG 55 5.945 -3.705 10.635 419 HB2 ARG 55 2HB ARG 55 8.230 -4.323 10.487 420 HB3 ARG 55 1HB ARG 55 8.185 -2.849 11.444 421 HG2 ARG 55 2HG ARG 55 9.609 -4.051 12.727 422 HG3 ARG 55 1HG ARG 55 8.092 -4.608 13.434 423 HD2 ARG 55 2HD ARG 55 8.428 -6.326 11.326 424 HD3 ARG 55 1HD ARG 55 10.086 -6.062 11.867 425 HE ARG 55 HE ARG 55 8.756 -6.576 14.167 426 HH11 ARG 55 1HH1 ARG 55 8.979 -8.247 11.112 427 HH12 ARG 55 2HH1 ARG 55 8.756 -9.816 11.810 428 HH21 ARG 55 1HH2 ARG 55 8.463 -8.638 15.088 429 HH22 ARG 55 2HH2 ARG 55 8.463 -10.038 14.068 430 H SER 56 H SER 56 5.918 -5.165 13.781 431 HA SER 56 HA SER 56 6.241 -7.855 13.134 432 HB2 SER 56 2HB SER 56 5.108 -8.351 15.216 433 HB3 SER 56 1HB SER 56 6.124 -6.929 15.453 434 HG SER 56 HG SER 56 4.402 -5.760 15.794 435 H VAL 57 H VAL 57 3.596 -5.707 12.545 436 HA VAL 57 HA VAL 57 1.655 -7.784 12.076 437 HB VAL 57 HB VAL 57 1.512 -4.860 11.326 438 HG11 VAL 57 1HG1 VAL 57 -0.252 -5.663 10.168 439 HG12 VAL 57 2HG1 VAL 57 -1.032 -5.613 11.751 440 HG13 VAL 57 3HG1 VAL 57 -0.365 -7.129 11.144 441 HG21 VAL 57 3HG2 VAL 57 1.596 -4.595 13.567 442 HG22 VAL 57 1HG2 VAL 57 1.146 -6.269 13.890 443 HG23 VAL 57 2HG2 VAL 57 -0.096 -5.087 13.472 444 H TRP 58 H TRP 58 3.200 -5.335 9.988 445 HA TRP 58 HA TRP 58 2.284 -6.343 7.559 446 HB2 TRP 58 2HB TRP 58 3.944 -4.249 8.391 447 HB3 TRP 58 1HB TRP 58 4.942 -5.211 7.309 448 HD1 TRP 58 HD TRP 58 3.729 -2.237 6.697 449 HE1 TRP 58 1HE TRP 58 2.395 -1.915 4.521 450 HE3 TRP 58 3HE TRP 58 2.470 -7.107 5.784 451 HZ2 TRP 58 2HZ TRP 58 0.994 -3.513 2.665 452 HZ3 TRP 58 3HZ TRP 58 1.131 -7.626 3.788 453 HH2 TRP 58 HH TRP 58 0.407 -5.863 2.261 454 H HIS 59 H HIS 59 4.469 -6.779 5.933 455 HA HIS 59 HA HIS 59 5.387 -9.402 6.892 456 HB2 HIS 59 2HB HIS 59 4.331 -8.477 4.345 457 HB3 HIS 59 1HB HIS 59 5.867 -9.315 4.152 458 HD1 HIS 59 1HD HIS 59 5.329 -11.368 6.532 459 HD2 HIS 59 2HD HIS 59 2.784 -10.544 3.353 460 HE1 HIS 59 1HE HIS 59 3.861 -13.395 6.303 461 HE2 HIS 59 2HE HIS 59 2.378 -12.905 4.327 462 HA PRO 60 HA PRO 60 9.388 -7.706 4.918 463 HB2 PRO 60 2HB PRO 60 9.388 -5.336 3.622 464 HB3 PRO 60 1HB PRO 60 8.959 -6.853 2.823 465 HG2 PRO 60 2HG PRO 60 7.170 -4.720 3.922 466 HG3 PRO 60 1HG PRO 60 7.039 -5.614 2.396 467 HD2 PRO 60 2HD PRO 60 5.579 -6.230 4.602 468 HD3 PRO 60 1HD PRO 60 6.073 -7.439 3.402 469 H ALA 61 H ALA 61 10.958 -5.765 5.268 470 HA ALA 61 HA ALA 61 10.086 -3.983 7.406 471 HB1 ALA 61 1HB ALA 61 11.330 -4.843 9.077 472 HB2 ALA 61 2HB ALA 61 12.627 -5.352 7.996 473 HB3 ALA 61 3HB ALA 61 11.172 -6.335 8.150 474 H ARG 62 H ARG 62 10.719 -3.307 4.801 475 HA ARG 62 HA ARG 62 12.766 -1.372 5.217 476 HB2 ARG 62 2HB ARG 62 13.682 -3.855 4.333 477 HB3 ARG 62 1HB ARG 62 13.613 -2.871 2.877 478 HG2 ARG 62 2HG ARG 62 15.369 -1.634 3.488 479 HG3 ARG 62 1HG ARG 62 14.817 -1.503 5.160 480 HD2 ARG 62 2HD ARG 62 15.772 -3.583 5.740 481 HD3 ARG 62 1HD ARG 62 16.018 -4.026 4.051 482 HE ARG 62 HE ARG 62 17.528 -1.801 4.330 483 HH11 ARG 62 1HH1 ARG 62 17.327 -4.786 6.128 484 HH12 ARG 62 2HH1 ARG 62 18.992 -4.758 6.602 485 HH21 ARG 62 1HH2 ARG 62 19.719 -1.763 4.953 486 HH22 ARG 62 2HH2 ARG 62 20.351 -3.043 5.936 487 H THR 63 H THR 63 10.054 -1.292 4.511 488 HA THR 63 HA THR 63 10.223 -0.177 1.790 489 HB THR 63 HB THR 63 8.912 -2.332 1.960 490 HG1 THR 63 1HG THR 63 7.800 -1.594 0.351 491 HG21 THR 63 3HG2 THR 63 7.622 -0.996 4.088 492 HG22 THR 63 1HG2 THR 63 7.310 -2.609 3.445 493 HG23 THR 63 2HG2 THR 63 6.447 -1.215 2.792 494 H VAL 64 H VAL 64 10.799 1.406 3.920 495 HA VAL 64 HA VAL 64 8.702 2.722 5.181 496 HB VAL 64 HB VAL 64 11.317 3.932 4.263 497 HG11 VAL 64 1HG1 VAL 64 9.444 4.827 6.453 498 HG12 VAL 64 2HG1 VAL 64 9.609 5.602 4.877 499 HG13 VAL 64 3HG1 VAL 64 10.970 5.586 5.998 500 HG21 VAL 64 3HG2 VAL 64 10.580 2.637 6.886 501 HG22 VAL 64 1HG2 VAL 64 12.126 3.395 6.500 502 HG23 VAL 64 2HG2 VAL 64 11.623 1.935 5.649 503 H SER 65 H SER 65 10.038 3.135 1.958 504 HA SER 65 HA SER 65 8.795 5.532 1.243 505 HB2 SER 65 2HB SER 65 9.226 3.190 -0.622 506 HB3 SER 65 1HB SER 65 9.180 4.903 -1.042 507 HG SER 65 HG SER 65 11.308 4.364 -0.936 508 H GLN 66 H GLN 66 7.679 2.186 1.040 509 HA GLN 66 HA GLN 66 5.183 2.702 -0.148 510 HB2 GLN 66 2HB GLN 66 6.254 0.484 1.567 511 HB3 GLN 66 1HB GLN 66 4.549 0.525 1.151 512 HG2 GLN 66 2HG GLN 66 6.708 0.656 -0.926 513 HG3 GLN 66 1HG GLN 66 6.060 -0.869 -0.323 514 HE21 GLN 66 1HE2 GLN 66 5.946 0.758 -2.938 515 HE22 GLN 66 2HE2 GLN 66 4.277 0.677 -3.376 516 H LEU 67 H LEU 67 6.325 2.828 3.160 517 HA LEU 67 HA LEU 67 3.917 3.007 4.540 518 HB2 LEU 67 2HB LEU 67 6.392 2.944 5.376 519 HB3 LEU 67 1HB LEU 67 6.268 4.693 5.303 520 HG LEU 67 HG LEU 67 5.831 3.955 7.555 521 HD11 LEU 67 1HD1 LEU 67 3.747 5.035 7.945 522 HD12 LEU 67 2HD1 LEU 67 3.194 4.700 6.303 523 HD13 LEU 67 3HD1 LEU 67 4.510 5.844 6.578 524 HD21 LEU 67 3HD2 LEU 67 5.115 1.661 6.938 525 HD22 LEU 67 1HD2 LEU 67 3.561 2.322 6.432 526 HD23 LEU 67 2HD2 LEU 67 4.060 2.435 8.120 527 H TYR 68 H TYR 68 5.903 5.583 3.158 528 HA TYR 68 HA TYR 68 4.156 7.695 3.816 529 HB2 TYR 68 2HB TYR 68 6.352 7.362 1.788 530 HB3 TYR 68 1HB TYR 68 5.368 8.823 1.809 531 HD1 TYR 68 2HD TYR 68 6.639 6.803 4.671 532 HD2 TYR 68 1HD TYR 68 6.813 10.492 2.558 533 HE1 TYR 68 2HE TYR 68 8.075 7.738 6.433 534 HE2 TYR 68 1HE TYR 68 8.249 11.437 4.315 535 HH TYR 68 HH TYR 68 9.686 9.507 6.751 536 H ASP 69 H ASP 69 4.221 5.341 1.261 537 HA ASP 69 HA ASP 69 2.502 6.650 -0.550 538 HB2 ASP 69 2HB ASP 69 3.776 4.076 -0.328 539 HB3 ASP 69 1HB ASP 69 2.108 3.881 -0.857 540 H HIS 70 H HIS 70 1.807 4.203 1.952 541 HA HIS 70 HA HIS 70 -1.015 4.349 1.438 542 HB2 HIS 70 2HB HIS 70 -0.420 3.332 4.087 543 HB3 HIS 70 1HB HIS 70 -1.195 2.530 2.730 544 HD1 HIS 70 1HD HIS 70 1.921 2.684 4.641 545 HD2 HIS 70 2HD HIS 70 0.651 1.142 1.001 546 HE1 HIS 70 1HE HIS 70 3.694 1.054 3.955 547 HE2 HIS 70 2HE HIS 70 2.812 -0.005 1.841 548 H TRP 71 H TRP 71 1.231 5.898 3.586 549 HA TRP 71 HA TRP 71 -0.773 7.069 5.259 550 HB2 TRP 71 2HB TRP 71 1.811 6.600 5.669 551 HB3 TRP 71 1HB TRP 71 1.958 8.248 5.057 552 HD1 TRP 71 HD TRP 71 0.702 6.270 8.059 553 HE1 TRP 71 1HE TRP 71 0.152 7.906 9.968 554 HE3 TRP 71 3HE TRP 71 1.184 10.681 5.517 555 HZ2 TRP 71 2HZ TRP 71 -0.051 10.695 10.349 556 HZ3 TRP 71 3HZ TRP 71 0.794 12.787 6.728 557 HH2 TRP 71 HH TRP 71 0.189 12.793 9.093 558 H ARG 72 H ARG 72 0.890 7.976 2.314 559 HA ARG 72 HA ARG 72 0.096 10.733 2.423 560 HB2 ARG 72 2HB ARG 72 2.090 10.044 1.172 561 HB3 ARG 72 1HB ARG 72 1.094 9.071 0.100 562 HG2 ARG 72 2HG ARG 72 -0.116 11.413 -0.251 563 HG3 ARG 72 1HG ARG 72 1.486 12.002 0.194 564 HD2 ARG 72 2HD ARG 72 1.843 9.883 -1.646 565 HD3 ARG 72 1HD ARG 72 0.589 10.937 -2.298 566 HE ARG 72 HE ARG 72 2.181 12.531 -2.675 567 HH11 ARG 72 1HH1 ARG 72 3.464 10.183 -0.435 568 HH12 ARG 72 2HH1 ARG 72 5.063 10.850 -0.457 569 HH21 ARG 72 1HH2 ARG 72 4.282 13.409 -2.707 570 HH22 ARG 72 2HH2 ARG 72 5.527 12.682 -1.746 571 H GLY 73 H GLY 73 -1.110 7.796 0.909 572 HA2 GLY 73 2HA GLY 73 -3.165 9.092 -0.596 573 HA3 GLY 73 1HA GLY 73 -3.042 7.368 -0.275 574 H THR 74 H THR 74 -2.978 7.658 2.605 575 HA THR 74 HA THR 74 -5.787 7.677 3.088 576 HB THR 74 HB THR 74 -4.951 7.537 5.548 577 HG1 THR 74 1HG THR 74 -2.894 7.707 5.799 578 HG21 THR 74 3HG2 THR 74 -3.736 5.220 4.359 579 HG22 THR 74 1HG2 THR 74 -5.274 5.595 3.583 580 HG23 THR 74 2HG2 THR 74 -5.204 5.353 5.328 581 H LEU 75 H LEU 75 -3.126 9.879 3.868 582 HA LEU 75 HA LEU 75 -4.966 11.764 5.108 583 HB2 LEU 75 2HB LEU 75 -2.546 11.190 5.869 584 HB3 LEU 75 1HB LEU 75 -2.062 12.296 4.599 585 HG LEU 75 HG LEU 75 -3.981 13.723 6.010 586 HD11 LEU 75 1HD1 LEU 75 -3.057 13.599 8.351 587 HD12 LEU 75 2HD1 LEU 75 -2.299 12.078 7.882 588 HD13 LEU 75 3HD1 LEU 75 -4.054 12.236 7.847 589 HD21 LEU 75 3HD2 LEU 75 -1.515 14.165 5.077 590 HD22 LEU 75 1HD2 LEU 75 -1.148 14.046 6.799 591 HD23 LEU 75 2HD2 LEU 75 -2.313 15.241 6.226 592 H ARG 76 H ARG 76 -4.533 11.043 2.046 593 HA ARG 76 HA ARG 76 -4.790 12.121 0.064 594 HB2 ARG 76 2HB ARG 76 -5.959 14.017 2.038 595 HB3 ARG 76 1HB ARG 76 -5.659 14.620 0.415 596 HG2 ARG 76 2HG ARG 76 -7.245 12.132 0.991 597 HG3 ARG 76 1HG ARG 76 -7.962 13.735 0.820 598 HD2 ARG 76 2HD ARG 76 -6.952 13.886 -1.441 599 HD3 ARG 76 1HD ARG 76 -6.383 12.228 -1.261 600 HE ARG 76 HE ARG 76 -9.053 12.048 -0.802 601 HH11 ARG 76 1HH1 ARG 76 -7.130 13.361 -3.401 602 HH12 ARG 76 2HH1 ARG 76 -8.322 13.039 -4.614 603 HH21 ARG 76 1HH2 ARG 76 -10.623 11.623 -2.396 604 HH22 ARG 76 2HH2 ARG 76 -10.307 12.053 -4.044 605 H TYR 77 H TYR 77 -3.991 13.972 -1.272 606 HA TYR 77 HA TYR 77 -1.240 14.328 -0.917 607 HB2 TYR 77 2HB TYR 77 -3.304 15.418 -2.749 608 HB3 TYR 77 1HB TYR 77 -1.805 16.332 -2.622 609 HD1 TYR 77 1HD TYR 77 -3.331 13.190 -3.720 610 HD2 TYR 77 2HD TYR 77 0.293 15.398 -3.421 611 HE1 TYR 77 1HE TYR 77 -2.260 11.634 -5.294 612 HE2 TYR 77 2HE TYR 77 1.375 13.849 -4.993 613 HH TYR 77 HH TYR 77 0.722 12.277 -6.772 614 H LYS 78 H LYS 78 -0.020 15.843 0.054 615 HA LYS 78 HA LYS 78 -1.322 17.696 1.839 616 HB2 LYS 78 2HB LYS 78 1.522 16.882 1.337 617 HB3 LYS 78 1HB LYS 78 1.168 18.309 2.301 618 HG2 LYS 78 2HG LYS 78 -0.363 15.955 3.097 619 HG3 LYS 78 1HG LYS 78 1.384 15.758 3.253 620 HD2 LYS 78 2HD LYS 78 0.842 18.311 4.253 621 HD3 LYS 78 1HD LYS 78 -0.448 17.283 4.881 622 HE2 LYS 78 2HE LYS 78 2.250 16.124 5.018 623 HE3 LYS 78 1HE LYS 78 2.002 17.556 6.018 624 HZ1 LYS 78 3HZ LYS 78 1.288 15.975 7.452 625 HZ2 LYS 78 1HZ LYS 78 0.799 14.906 6.234 626 HZ3 LYS 78 2HZ LYS 78 -0.174 16.228 6.642 627 H VAL 79 H VAL 79 -1.918 19.672 1.279 628 HA VAL 79 HA VAL 79 -0.898 20.890 -1.143 629 HB VAL 79 HB VAL 79 -2.524 22.730 -0.569 630 HG11 VAL 79 1HG1 VAL 79 -3.183 19.921 -1.191 631 HG12 VAL 79 2HG1 VAL 79 -3.497 21.394 -2.111 632 HG13 VAL 79 3HG1 VAL 79 -4.538 20.961 -0.753 633 HG21 VAL 79 3HG2 VAL 79 -3.872 22.664 1.272 634 HG22 VAL 79 1HG2 VAL 79 -2.440 21.881 1.939 635 HG23 VAL 79 2HG2 VAL 79 -3.806 20.905 1.396 636 H ILE 80 H ILE 80 -0.362 21.106 2.259 637 HA ILE 80 HA ILE 80 1.142 22.298 3.487 638 HB ILE 80 HB ILE 80 2.142 23.490 0.904 639 HG12 ILE 80 2HG1 ILE 80 2.132 21.050 0.712 640 HG13 ILE 80 1HG1 ILE 80 3.781 21.651 0.860 641 HG21 ILE 80 1HG2 ILE 80 3.302 24.671 2.434 642 HG22 ILE 80 2HG2 ILE 80 4.295 23.216 2.499 643 HG23 ILE 80 3HG2 ILE 80 3.041 23.481 3.709 644 HD11 ILE 80 3HD1 ILE 80 3.696 21.077 3.277 645 HD12 ILE 80 1HD1 ILE 80 3.566 19.691 2.195 646 HD13 ILE 80 2HD1 ILE 80 2.127 20.327 2.991 647 H GLN 81 H GLN 81 1.072 24.209 4.584 648 HA GLN 81 HA GLN 81 0.298 26.243 5.245 649 HB2 GLN 81 2HB GLN 81 1.539 26.691 2.894 650 HB3 GLN 81 1HB GLN 81 -0.082 27.226 2.476 651 HG2 GLN 81 2HG GLN 81 0.041 28.630 4.616 652 HG3 GLN 81 1HG GLN 81 1.774 28.315 4.554 653 HE21 GLN 81 1HE2 GLN 81 2.135 28.364 1.793 654 HE22 GLN 81 2HE2 GLN 81 1.886 29.978 1.230 655 H GLN 82 H GLN 82 -1.578 24.056 4.521 656 HA GLN 82 HA GLN 82 -3.992 25.351 5.027 657 HB2 GLN 82 2HB GLN 82 -3.234 25.383 2.250 658 HB3 GLN 82 1HB GLN 82 -4.685 24.412 2.455 659 HG2 GLN 82 2HG GLN 82 -4.297 27.269 3.313 660 HG3 GLN 82 1HG GLN 82 -5.282 26.691 1.970 661 HE21 GLN 82 1HE2 GLN 82 -5.652 28.049 4.768 662 HE22 GLN 82 2HE2 GLN 82 -7.048 27.240 5.385 663 H GLN 83 H GLN 83 -5.856 23.690 3.894 664 HA GLN 83 HA GLN 83 -5.164 20.955 3.897 665 HB2 GLN 83 2HB GLN 83 -6.441 20.439 6.082 666 HB3 GLN 83 1HB GLN 83 -4.775 20.988 6.196 667 HG2 GLN 83 2HG GLN 83 -5.375 22.710 7.445 668 HG3 GLN 83 1HG GLN 83 -6.531 23.246 6.228 669 HE21 GLN 83 1HE2 GLN 83 -8.394 23.618 7.188 670 HE22 GLN 83 2HE2 GLN 83 -9.166 22.594 8.345 671 H GLY 84 H GLY 84 -7.671 23.347 4.605 672 HA2 GLY 84 2HA GLY 84 -9.528 21.721 2.986 673 HA3 GLY 84 1HA GLY 84 -10.049 22.476 4.483 674 H TYR 85 H TYR 85 -10.182 22.770 1.244 675 HA TYR 85 HA TYR 85 -9.692 25.524 0.819 676 HB2 TYR 85 2HB TYR 85 -10.205 23.416 -0.815 677 HB3 TYR 85 1HB TYR 85 -11.761 24.239 -0.853 678 HD1 TYR 85 1HD TYR 85 -8.137 25.158 -1.035 679 HD2 TYR 85 2HD TYR 85 -12.061 25.742 -2.569 680 HE1 TYR 85 1HE TYR 85 -7.247 26.744 -2.691 681 HE2 TYR 85 2HE TYR 85 -11.183 27.329 -4.230 682 HH TYR 85 HH TYR 85 -8.629 28.898 -4.102 683 H ARG 86 H ARG 86 -11.336 27.153 0.294 684 HA ARG 86 HA ARG 86 -13.458 27.107 2.288 685 HB2 ARG 86 2HB ARG 86 -11.913 29.073 2.013 686 HB3 ARG 86 1HB ARG 86 -12.665 29.371 0.452 687 HG2 ARG 86 2HG ARG 86 -14.875 29.393 1.828 688 HG3 ARG 86 1HG ARG 86 -13.796 29.697 3.190 689 HD2 ARG 86 2HD ARG 86 -14.617 31.788 2.241 690 HD3 ARG 86 1HD ARG 86 -12.873 31.639 2.037 691 HE ARG 86 HE ARG 86 -14.154 30.648 -0.258 692 HH11 ARG 86 1HH1 ARG 86 -13.571 33.668 1.390 693 HH12 ARG 86 2HH1 ARG 86 -13.632 34.614 -0.059 694 HH21 ARG 86 1HH2 ARG 86 -14.233 31.890 -2.164 695 HH22 ARG 86 2HH2 ARG 86 -14.007 33.605 -2.077 696 H GLY 87 H GLY 87 -15.639 27.377 1.836 697 HA2 GLY 87 2HA GLY 87 -16.577 26.186 -0.554 698 HA3 GLY 87 1HA GLY 87 -17.571 26.982 0.656 699 H LYS 88 H LYS 88 -18.885 27.894 -0.966 700 HA LYS 88 HA LYS 88 -17.782 30.350 -2.073 701 HB2 LYS 88 2HB LYS 88 -17.775 28.247 -3.726 702 HB3 LYS 88 1HB LYS 88 -19.443 28.757 -3.957 703 HG2 LYS 88 2HG LYS 88 -18.594 30.088 -5.536 704 HG3 LYS 88 1HG LYS 88 -18.125 31.123 -4.185 705 HD2 LYS 88 2HD LYS 88 -15.927 30.585 -4.361 706 HD3 LYS 88 1HD LYS 88 -16.263 28.934 -4.885 707 HE2 LYS 88 2HE LYS 88 -17.095 30.979 -6.802 708 HE3 LYS 88 1HE LYS 88 -15.361 30.962 -6.491 709 HZ1 LYS 88 3HZ LYS 88 -15.114 28.977 -7.485 710 HZ2 LYS 88 1HZ LYS 88 -16.554 29.389 -8.271 711 HZ3 LYS 88 2HZ LYS 88 -16.588 28.369 -6.925 712 H ASN 89 H ASN 89 -20.657 28.272 -1.838 713 HA ASN 89 HA ASN 89 -22.321 30.685 -1.636 714 HB2 ASN 89 2HB ASN 89 -22.708 28.051 -2.821 715 HB3 ASN 89 1HB ASN 89 -24.035 28.501 -1.757 716 HD21 ASN 89 1HD2 ASN 89 -22.907 28.661 -4.840 717 HD22 ASN 89 2HD2 ASN 89 -23.833 30.000 -5.415 718 H SER 90 H SER 90 -23.970 30.790 -0.012 719 HA SER 90 HA SER 90 -23.604 28.997 2.280 720 HB2 SER 90 2HB SER 90 -22.243 30.946 2.787 721 HB3 SER 90 1HB SER 90 -23.589 32.021 2.410 722 HG SER 90 HG SER 90 -23.177 31.463 4.713 723 H VAL 91 H VAL 91 -25.532 31.641 0.896 724 HA VAL 91 HA VAL 91 -27.824 31.242 2.478 725 HB VAL 91 HB VAL 91 -27.453 33.291 1.177 726 HG11 VAL 91 1HG1 VAL 91 -27.812 31.442 -1.163 727 HG12 VAL 91 2HG1 VAL 91 -26.490 32.564 -0.836 728 HG13 VAL 91 3HG1 VAL 91 -28.079 33.181 -1.292 729 HG21 VAL 91 3HG2 VAL 91 -29.742 32.554 1.894 730 HG22 VAL 91 1HG2 VAL 91 -29.984 31.940 0.259 731 HG23 VAL 91 2HG2 VAL 91 -29.715 33.662 0.522 732 H ALA 92 H ALA 92 -29.912 30.400 1.791 733 HA ALA 92 HA ALA 92 -31.272 28.741 1.033 734 HB1 ALA 92 1HB ALA 92 -31.268 29.323 -1.155 735 HB2 ALA 92 2HB ALA 92 -30.418 27.786 -1.318 736 HB3 ALA 92 3HB ALA 92 -29.509 29.296 -1.272 737 H ALA 93 H ALA 93 -31.308 26.371 0.392 738 HA ALA 93 HA ALA 93 -28.942 24.989 1.479 739 HB1 ALA 93 1HB ALA 93 -31.812 24.718 2.187 740 HB2 ALA 93 2HB ALA 93 -30.379 24.617 3.209 741 HB3 ALA 93 3HB ALA 93 -30.823 23.258 2.176 742 H ARG 94 H ARG 94 -28.045 23.634 0.085 743 HA ARG 94 HA ARG 94 -29.604 21.879 -1.560 744 HB2 ARG 94 2HB ARG 94 -28.549 24.377 -2.672 745 HB3 ARG 94 1HB ARG 94 -28.054 22.949 -3.569 746 HG2 ARG 94 2HG ARG 94 -30.440 22.287 -3.725 747 HG3 ARG 94 1HG ARG 94 -30.870 23.819 -2.962 748 HD2 ARG 94 2HD ARG 94 -29.901 25.054 -4.788 749 HD3 ARG 94 1HD ARG 94 -29.286 23.571 -5.515 750 HE ARG 94 HE ARG 94 -31.949 23.135 -5.398 751 HH11 ARG 94 1HH1 ARG 94 -30.020 25.758 -6.654 752 HH12 ARG 94 2HH1 ARG 94 -31.161 26.170 -7.890 753 HH21 ARG 94 1HH2 ARG 94 -33.451 23.675 -7.022 754 HH22 ARG 94 2HH2 ARG 94 -33.109 24.990 -8.099 755 H SER 95 H SER 95 -27.517 21.746 0.477 756 HA SER 95 HA SER 95 -25.118 20.901 -0.887 757 HB2 SER 95 2HB SER 95 -25.960 21.273 1.934 758 HB3 SER 95 1HB SER 95 -24.704 20.072 1.639 759 HG SER 95 HG SER 95 -23.536 21.721 0.529 760 HA PRO 96 HA PRO 96 -26.290 16.699 -1.683 761 HB2 PRO 96 2HB PRO 96 -23.456 16.111 -0.984 762 HB3 PRO 96 1HB PRO 96 -24.374 15.669 -2.427 763 HG2 PRO 96 2HG PRO 96 -22.565 17.619 -2.515 764 HG3 PRO 96 1HG PRO 96 -24.094 17.752 -3.405 765 HD2 PRO 96 2HD PRO 96 -23.259 19.071 -0.859 766 HD3 PRO 96 1HD PRO 96 -24.251 19.704 -2.189 767 H GLU 97 H GLU 97 -27.596 16.112 0.016 768 HA GLU 97 HA GLU 97 -28.233 15.074 1.937 769 HB2 GLU 97 2HB GLU 97 -26.259 13.535 0.904 770 HB3 GLU 97 1HB GLU 97 -25.568 13.915 2.475 771 HG2 GLU 97 2HG GLU 97 -27.893 13.182 3.374 772 HG3 GLU 97 1HG GLU 97 -28.034 12.378 1.812 773 H LYS 98 H LYS 98 -28.601 16.554 3.476 774 HA LYS 98 HA LYS 98 -26.298 17.479 5.067 775 HB2 LYS 98 2HB LYS 98 -27.752 19.143 3.626 776 HB3 LYS 98 1HB LYS 98 -28.858 19.020 4.987 777 HG2 LYS 98 2HG LYS 98 -26.936 19.658 6.474 778 HG3 LYS 98 1HG LYS 98 -26.021 20.011 5.006 779 HD2 LYS 98 2HD LYS 98 -26.894 22.084 5.545 780 HD3 LYS 98 1HD LYS 98 -28.082 21.474 4.391 781 HE2 LYS 98 2HE LYS 98 -29.673 21.131 6.005 782 HE3 LYS 98 1HE LYS 98 -28.482 20.901 7.284 783 HZ1 LYS 98 3HZ LYS 98 -29.922 23.111 7.014 784 HZ2 LYS 98 1HZ LYS 98 -28.579 23.547 6.082 785 HZ3 LYS 98 2HZ LYS 98 -28.377 23.098 7.701 786 H ALA 99 H ALA 99 -29.846 17.340 5.424 787 HA ALA 99 HA ALA 99 -29.835 15.441 7.503 788 HB1 ALA 99 1HB ALA 99 -30.182 16.756 9.450 789 HB2 ALA 99 2HB ALA 99 -30.252 18.248 8.510 790 HB3 ALA 99 3HB ALA 99 -28.727 17.374 8.668 791 H SER 100 H SER 100 -31.488 18.415 6.452 792 HA SER 100 HA SER 100 -33.659 18.851 5.933 793 HB2 SER 100 2HB SER 100 -33.540 17.205 4.233 794 HB3 SER 100 1HB SER 100 -33.560 15.884 5.400 795 HG SER 100 HG SER 100 -35.609 16.839 4.149 796 H ASN 101 H ASN 101 -34.761 19.579 7.637 797 HA ASN 101 HA ASN 101 -36.169 17.635 9.303 798 HB2 ASN 101 2HB ASN 101 -34.014 18.362 10.442 799 HB3 ASN 101 1HB ASN 101 -34.721 19.972 10.550 800 HD21 ASN 101 1HD2 ASN 101 -35.676 16.610 11.185 801 HD22 ASN 101 2HD2 ASN 101 -36.412 16.931 12.716 802 H MET 102 H MET 102 -35.646 21.153 8.993 803 HA MET 102 HA MET 102 -38.573 21.489 9.048 804 HB2 MET 102 2HB MET 102 -36.907 22.516 10.867 805 HB3 MET 102 1HB MET 102 -36.779 23.784 9.656 806 HG2 MET 102 2HG MET 102 -39.531 23.114 10.037 807 HG3 MET 102 1HG MET 102 -38.778 23.426 11.600 808 HE1 MET 102 3HE MET 102 -40.274 25.131 12.090 809 HE2 MET 102 1HE MET 102 -41.119 25.743 10.667 810 HE3 MET 102 2HE MET 102 -40.093 26.821 11.616 811 H GLU 103 H GLU 103 -39.084 23.817 8.066 812 HA GLU 103 HA GLU 103 -39.220 25.134 6.215 813 HB2 GLU 103 2HB GLU 103 -36.485 24.118 5.440 814 HB3 GLU 103 1HB GLU 103 -37.260 25.609 4.924 815 HG2 GLU 103 2HG GLU 103 -36.858 26.671 6.917 816 HG3 GLU 103 1HG GLU 103 -36.756 25.163 7.823 817 H ASN 104 H ASN 104 -37.308 22.352 5.054 818 HA ASN 104 HA ASN 104 -39.364 21.920 2.998 819 HB2 ASN 104 2HB ASN 104 -36.657 22.205 2.694 820 HB3 ASN 104 1HB ASN 104 -36.829 20.454 2.730 821 HD21 ASN 104 1HD2 ASN 104 -39.258 20.121 1.515 822 HD22 ASN 104 2HD2 ASN 104 -39.157 20.632 -0.131 823 H ASN 105 H ASN 105 -40.826 20.558 3.884 824 HA ASN 105 HA ASN 105 -39.848 18.140 5.231 825 HB2 ASN 105 2HB ASN 105 -42.408 19.681 5.326 826 HB3 ASN 105 1HB ASN 105 -42.443 17.958 5.693 827 HD21 ASN 105 1HD2 ASN 105 -41.894 17.315 7.667 828 HD22 ASN 105 2HD2 ASN 105 -41.194 18.321 8.886 829 H GLU 106 H GLU 106 -39.624 18.361 2.402 830 HA GLU 106 HA GLU 106 -41.695 16.508 1.441 831 HB2 GLU 106 2HB GLU 106 -41.010 18.772 0.268 832 HB3 GLU 106 1HB GLU 106 -39.707 17.790 -0.385 833 HG2 GLU 106 2HG GLU 106 -41.163 16.417 -1.566 834 HG3 GLU 106 1HG GLU 106 -42.552 16.892 -0.591 Start of MODEL 5 1 H1 GLY 1 1HT GLY 1 -31.398 -1.545 23.171 2 H2 GLY 1 2HT GLY 1 -29.868 -1.061 23.705 3 H3 GLY 1 3HT GLY 1 -30.917 0.070 23.013 4 HA2 GLY 1 1HA GLY 1 -31.068 0.491 25.286 5 HA3 GLY 1 2HA GLY 1 -32.505 -0.438 24.889 6 HA PRO 2 HA PRO 2 -30.375 -2.468 28.503 7 HB2 PRO 2 2HB PRO 2 -32.621 -2.784 29.998 8 HB3 PRO 2 1HB PRO 2 -31.639 -1.314 30.036 9 HG2 PRO 2 2HG PRO 2 -34.179 -1.860 28.544 10 HG3 PRO 2 1HG PRO 2 -33.704 -0.413 29.456 11 HD2 PRO 2 2HD PRO 2 -33.549 -0.549 26.756 12 HD3 PRO 2 1HD PRO 2 -32.407 0.400 27.730 13 H GLY 3 H GLY 3 -33.098 -3.209 26.475 14 HA2 GLY 3 2HA GLY 3 -33.757 -5.778 27.310 15 HA3 GLY 3 1HA GLY 3 -33.893 -5.200 25.656 16 H SER 4 H SER 4 -33.321 -7.819 26.086 17 HA SER 4 HA SER 4 -30.564 -7.987 25.101 18 HB2 SER 4 2HB SER 4 -31.343 -8.867 27.649 19 HB3 SER 4 1HB SER 4 -31.232 -10.329 26.670 20 HG SER 4 HG SER 4 -29.256 -8.874 27.704 21 H LEU 5 H LEU 5 -30.176 -10.338 24.268 22 HA LEU 5 HA LEU 5 -32.382 -10.914 22.446 23 HB2 LEU 5 2HB LEU 5 -29.526 -11.894 22.480 24 HB3 LEU 5 1HB LEU 5 -30.711 -12.311 21.257 25 HG LEU 5 HG LEU 5 -29.762 -9.500 21.814 26 HD11 LEU 5 1HD1 LEU 5 -28.710 -11.654 20.085 27 HD12 LEU 5 2HD1 LEU 5 -27.880 -10.296 20.846 28 HD13 LEU 5 3HD1 LEU 5 -28.817 -10.043 19.373 29 HD21 LEU 5 3HD2 LEU 5 -30.789 -9.150 19.520 30 HD22 LEU 5 1HD2 LEU 5 -31.911 -9.393 20.858 31 HD23 LEU 5 2HD2 LEU 5 -31.569 -10.716 19.742 32 H SER 6 H SER 6 -32.589 -13.332 21.858 33 HA SER 6 HA SER 6 -32.870 -14.816 24.381 34 HB2 SER 6 2HB SER 6 -34.915 -14.292 22.927 35 HB3 SER 6 1HB SER 6 -34.270 -15.479 21.792 36 HG SER 6 HG SER 6 -34.740 -16.037 24.531 37 H ASN 7 H ASN 7 -31.610 -14.986 21.113 38 HA ASN 7 HA ASN 7 -30.112 -17.392 21.885 39 HB2 ASN 7 2HB ASN 7 -32.155 -17.785 20.316 40 HB3 ASN 7 1HB ASN 7 -31.130 -17.068 19.077 41 HD21 ASN 7 1HD2 ASN 7 -29.355 -18.180 18.335 42 HD22 ASN 7 2HD2 ASN 7 -29.077 -19.847 18.696 43 H PHE 8 H PHE 8 -28.189 -16.340 22.164 44 HA PHE 8 HA PHE 8 -27.137 -14.840 19.859 45 HB2 PHE 8 2HB PHE 8 -25.490 -13.919 21.550 46 HB3 PHE 8 1HB PHE 8 -27.165 -13.422 21.769 47 HD1 PHE 8 2HD PHE 8 -28.517 -14.405 23.583 48 HD2 PHE 8 1HD PHE 8 -24.358 -15.211 23.184 49 HE1 PHE 8 2HE PHE 8 -28.455 -15.216 25.906 50 HE2 PHE 8 1HE PHE 8 -24.287 -16.024 25.505 51 HZ PHE 8 HZ PHE 8 -26.339 -16.028 26.870 52 H ALA 9 H ALA 9 -24.724 -15.005 19.598 53 HA ALA 9 HA ALA 9 -23.790 -17.735 20.192 54 HB1 ALA 9 1HB ALA 9 -24.474 -16.915 17.708 55 HB2 ALA 9 2HB ALA 9 -23.265 -18.156 18.042 56 HB3 ALA 9 3HB ALA 9 -22.762 -16.495 17.730 57 H ASN 10 H ASN 10 -22.810 -14.426 19.359 58 HA ASN 10 HA ASN 10 -20.106 -14.906 20.297 59 HB2 ASN 10 2HB ASN 10 -21.405 -12.984 18.589 60 HB3 ASN 10 1HB ASN 10 -20.487 -12.147 19.836 61 HD21 ASN 10 1HD2 ASN 10 -19.803 -15.254 18.321 62 HD22 ASN 10 2HD2 ASN 10 -18.299 -14.782 17.612 63 H VAL 11 H VAL 11 -19.156 -13.111 21.744 64 HA VAL 11 HA VAL 11 -19.029 -12.159 23.807 65 HB VAL 11 HB VAL 11 -22.009 -11.725 23.589 66 HG11 VAL 11 1HG1 VAL 11 -19.971 -10.021 24.996 67 HG12 VAL 11 2HG1 VAL 11 -20.810 -11.351 25.793 68 HG13 VAL 11 3HG1 VAL 11 -21.727 -9.987 25.155 69 HG21 VAL 11 3HG2 VAL 11 -20.628 -10.936 21.597 70 HG22 VAL 11 1HG2 VAL 11 -19.895 -9.779 22.706 71 HG23 VAL 11 2HG2 VAL 11 -21.631 -9.730 22.402 72 H GLY 12 H GLY 12 -18.509 -13.729 25.223 73 HA2 GLY 12 2HA GLY 12 -20.509 -14.711 27.004 74 HA3 GLY 12 1HA GLY 12 -19.951 -15.974 25.918 75 H VAL 13 H VAL 13 -18.820 -17.253 27.281 76 HA VAL 13 HA VAL 13 -16.702 -15.994 28.893 77 HB VAL 13 HB VAL 13 -17.841 -18.770 29.225 78 HG11 VAL 13 1HG1 VAL 13 -16.790 -18.193 31.599 79 HG12 VAL 13 2HG1 VAL 13 -15.743 -17.187 30.595 80 HG13 VAL 13 3HG1 VAL 13 -15.844 -18.923 30.301 81 HG21 VAL 13 3HG2 VAL 13 -18.427 -16.776 31.287 82 HG22 VAL 13 1HG2 VAL 13 -19.470 -17.998 30.559 83 HG23 VAL 13 2HG2 VAL 13 -19.204 -16.461 29.736 84 H GLY 14 H GLY 14 -14.618 -16.972 28.958 85 HA2 GLY 14 2HA GLY 14 -12.995 -18.544 28.201 86 HA3 GLY 14 1HA GLY 14 -14.044 -18.927 26.844 87 H THR 15 H THR 15 -13.384 -15.631 27.782 88 HA THR 15 HA THR 15 -11.322 -15.320 25.760 89 HB THR 15 HB THR 15 -13.320 -15.080 24.418 90 HG1 THR 15 1HG THR 15 -12.101 -13.589 23.579 91 HG21 THR 15 3HG2 THR 15 -14.449 -13.897 26.710 92 HG22 THR 15 1HG2 THR 15 -15.216 -14.231 25.157 93 HG23 THR 15 2HG2 THR 15 -14.437 -12.674 25.441 94 H SER 16 H SER 16 -9.978 -14.678 27.447 95 HA SER 16 HA SER 16 -10.715 -12.550 29.227 96 HB2 SER 16 2HB SER 16 -9.197 -14.219 30.061 97 HB3 SER 16 1HB SER 16 -8.089 -13.959 28.716 98 HG SER 16 HG SER 16 -7.592 -12.906 30.814 99 H SER 17 H SER 17 -8.556 -12.879 26.432 100 HA SER 17 HA SER 17 -8.910 -10.099 25.779 101 HB2 SER 17 2HB SER 17 -6.355 -9.747 25.719 102 HB3 SER 17 1HB SER 17 -7.155 -9.672 27.290 103 HG SER 17 HG SER 17 -5.263 -10.973 27.325 104 H GLY 18 H GLY 18 -8.351 -9.615 23.651 105 HA2 GLY 18 2HA GLY 18 -7.677 -11.982 22.019 106 HA3 GLY 18 1HA GLY 18 -8.659 -10.633 21.468 107 H LYS 19 H LYS 19 -7.697 -8.920 20.509 108 HA LYS 19 HA LYS 19 -6.089 -7.667 19.501 109 HB2 LYS 19 2HB LYS 19 -5.356 -7.442 21.922 110 HB3 LYS 19 1HB LYS 19 -4.179 -8.707 21.592 111 HG2 LYS 19 2HG LYS 19 -2.991 -7.357 20.083 112 HG3 LYS 19 1HG LYS 19 -4.309 -6.188 19.967 113 HD2 LYS 19 2HD LYS 19 -3.256 -6.609 22.678 114 HD3 LYS 19 1HD LYS 19 -2.115 -5.887 21.541 115 HE2 LYS 19 2HE LYS 19 -3.271 -4.103 22.607 116 HE3 LYS 19 1HE LYS 19 -3.893 -4.218 20.961 117 HZ1 LYS 19 3HZ LYS 19 -5.317 -5.740 22.992 118 HZ2 LYS 19 1HZ LYS 19 -5.917 -4.864 21.675 119 HZ3 LYS 19 2HZ LYS 19 -5.457 -4.058 23.089 120 H GLN 20 H GLN 20 -6.560 -10.269 18.522 121 HA GLN 20 HA GLN 20 -4.304 -10.598 16.845 122 HB2 GLN 20 2HB GLN 20 -3.770 -12.958 17.560 123 HB3 GLN 20 1HB GLN 20 -3.238 -11.697 18.665 124 HG2 GLN 20 2HG GLN 20 -4.932 -12.186 20.212 125 HG3 GLN 20 1HG GLN 20 -5.833 -13.151 19.043 126 HE21 GLN 20 1HE2 GLN 20 -5.729 -15.233 19.416 127 HE22 GLN 20 2HE2 GLN 20 -4.392 -16.088 20.100 128 H LYS 21 H LYS 21 -6.284 -10.234 15.556 129 HA LYS 21 HA LYS 21 -7.195 -12.684 14.428 130 HB2 LYS 21 2HB LYS 21 -8.876 -11.339 16.429 131 HB3 LYS 21 1HB LYS 21 -9.699 -11.693 14.916 132 HG2 LYS 21 2HG LYS 21 -8.678 -14.065 15.232 133 HG3 LYS 21 1HG LYS 21 -8.526 -13.566 16.918 134 HD2 LYS 21 2HD LYS 21 -10.748 -13.670 17.279 135 HD3 LYS 21 1HD LYS 21 -11.135 -13.000 15.692 136 HE2 LYS 21 2HE LYS 21 -10.553 -15.215 14.699 137 HE3 LYS 21 1HE LYS 21 -10.380 -15.846 16.337 138 HZ1 LYS 21 3HZ LYS 21 -12.696 -15.279 16.753 139 HZ2 LYS 21 1HZ LYS 21 -12.562 -16.334 15.437 140 HZ3 LYS 21 2HZ LYS 21 -12.858 -14.688 15.177 141 H ARG 22 H ARG 22 -7.066 -12.194 12.346 142 HA ARG 22 HA ARG 22 -7.277 -11.116 10.356 143 HB2 ARG 22 2HB ARG 22 -9.528 -9.751 11.839 144 HB3 ARG 22 1HB ARG 22 -9.234 -9.569 10.115 145 HG2 ARG 22 2HG ARG 22 -9.574 -11.971 9.807 146 HG3 ARG 22 1HG ARG 22 -9.888 -12.142 11.534 147 HD2 ARG 22 2HD ARG 22 -11.477 -10.227 9.867 148 HD3 ARG 22 1HD ARG 22 -11.888 -11.940 9.905 149 HE ARG 22 HE ARG 22 -11.614 -10.760 12.511 150 HH11 ARG 22 1HH1 ARG 22 -13.796 -11.346 9.851 151 HH12 ARG 22 2HH1 ARG 22 -15.219 -11.226 10.828 152 HH21 ARG 22 1HH2 ARG 22 -13.486 -10.603 13.800 153 HH22 ARG 22 2HH2 ARG 22 -15.044 -10.805 13.070 154 H TYR 23 H TYR 23 -5.414 -10.098 12.300 155 HA TYR 23 HA TYR 23 -5.440 -7.308 12.521 156 HB2 TYR 23 2HB TYR 23 -3.680 -9.420 13.195 157 HB3 TYR 23 1HB TYR 23 -2.741 -8.255 12.267 158 HD1 TYR 23 2HD TYR 23 -3.332 -5.699 13.004 159 HD2 TYR 23 1HD TYR 23 -3.626 -9.149 15.475 160 HE1 TYR 23 2HE TYR 23 -3.115 -4.279 15.000 161 HE2 TYR 23 1HE TYR 23 -3.410 -7.740 17.478 162 HH TYR 23 HH TYR 23 -2.575 -5.577 18.127 163 H LYS 24 H LYS 24 -4.453 -9.412 9.914 164 HA LYS 24 HA LYS 24 -3.462 -7.115 8.379 165 HB2 LYS 24 2HB LYS 24 -3.296 -10.059 7.706 166 HB3 LYS 24 1HB LYS 24 -2.496 -8.745 6.856 167 HG2 LYS 24 2HG LYS 24 -0.749 -8.911 8.199 168 HG3 LYS 24 1HG LYS 24 -1.773 -8.603 9.603 169 HD2 LYS 24 2HD LYS 24 -2.132 -10.878 9.988 170 HD3 LYS 24 1HD LYS 24 -1.634 -11.328 8.357 171 HE2 LYS 24 2HE LYS 24 0.074 -11.945 9.972 172 HE3 LYS 24 1HE LYS 24 0.670 -10.686 8.891 173 HZ1 LYS 24 3HZ LYS 24 1.297 -9.752 10.824 174 HZ2 LYS 24 1HZ LYS 24 0.150 -10.586 11.746 175 HZ3 LYS 24 2HZ LYS 24 -0.304 -9.210 10.873 176 H PHE 25 H PHE 25 -4.755 -6.151 7.048 177 HA PHE 25 HA PHE 25 -6.654 -7.655 5.449 178 HB2 PHE 25 2HB PHE 25 -7.653 -6.615 7.689 179 HB3 PHE 25 1HB PHE 25 -7.716 -5.171 6.687 180 HD1 PHE 25 2HD PHE 25 -8.525 -8.799 6.327 181 HD2 PHE 25 1HD PHE 25 -9.716 -4.768 5.663 182 HE1 PHE 25 2HE PHE 25 -10.630 -9.590 5.326 183 HE2 PHE 25 1HE PHE 25 -11.823 -5.550 4.663 184 HZ PHE 25 HZ PHE 25 -12.281 -7.965 4.492 185 H SER 26 H SER 26 -7.545 -6.324 3.663 186 HA SER 26 HA SER 26 -5.463 -4.788 2.464 187 HB2 SER 26 2HB SER 26 -7.406 -6.223 1.378 188 HB3 SER 26 1HB SER 26 -8.271 -4.687 1.430 189 HG SER 26 HG SER 26 -6.472 -3.778 0.278 190 H ALA 27 H ALA 27 -5.937 -3.596 4.833 191 HA ALA 27 HA ALA 27 -6.122 -0.934 4.380 192 HB1 ALA 27 1HB ALA 27 -8.526 -0.580 5.381 193 HB2 ALA 27 2HB ALA 27 -8.819 -2.166 4.665 194 HB3 ALA 27 3HB ALA 27 -8.293 -0.823 3.650 195 H SER 28 H SER 28 -6.628 -3.654 6.479 196 HA SER 28 HA SER 28 -6.954 -2.379 8.942 197 HB2 SER 28 2HB SER 28 -6.014 -5.028 8.031 198 HB3 SER 28 1HB SER 28 -5.485 -4.549 9.643 199 HG SER 28 HG SER 28 -8.174 -4.542 8.731 200 H GLU 29 H GLU 29 -4.119 -2.766 6.956 201 HA GLU 29 HA GLU 29 -2.119 -2.330 8.856 202 HB2 GLU 29 2HB GLU 29 -0.759 -1.507 6.926 203 HB3 GLU 29 1HB GLU 29 -1.526 -3.064 6.652 204 HG2 GLU 29 2HG GLU 29 -2.044 -2.106 4.682 205 HG3 GLU 29 1HG GLU 29 -3.408 -1.494 5.613 206 H ASP 30 H ASP 30 -3.850 0.019 6.818 207 HA ASP 30 HA ASP 30 -2.567 2.326 7.699 208 HB2 ASP 30 2HB ASP 30 -5.235 1.745 6.494 209 HB3 ASP 30 1HB ASP 30 -4.967 3.344 7.183 210 H GLU 31 H GLU 31 -5.055 0.403 9.204 211 HA GLU 31 HA GLU 31 -5.825 2.341 11.148 212 HB2 GLU 31 2HB GLU 31 -7.290 0.470 10.530 213 HB3 GLU 31 1HB GLU 31 -6.118 -0.669 11.182 214 HG2 GLU 31 2HG GLU 31 -6.429 0.334 13.410 215 HG3 GLU 31 1HG GLU 31 -7.661 1.398 12.734 216 H ALA 32 H ALA 32 -3.364 -0.128 10.943 217 HA ALA 32 HA ALA 32 -2.668 -0.100 13.708 218 HB1 ALA 32 1HB ALA 32 -0.784 -1.449 13.082 219 HB2 ALA 32 2HB ALA 32 -0.967 -0.996 11.387 220 HB3 ALA 32 3HB ALA 32 -2.192 -1.995 12.170 221 H ILE 33 H ILE 33 -1.639 1.701 10.880 222 HA ILE 33 HA ILE 33 0.646 2.867 12.149 223 HB ILE 33 HB ILE 33 -0.766 4.172 9.850 224 HG12 ILE 33 2HG1 ILE 33 1.164 1.857 9.597 225 HG13 ILE 33 1HG1 ILE 33 -0.578 1.720 9.391 226 HG21 ILE 33 1HG2 ILE 33 1.200 5.212 11.004 227 HG22 ILE 33 2HG2 ILE 33 1.405 4.950 9.272 228 HG23 ILE 33 3HG2 ILE 33 2.171 3.859 10.425 229 HD11 ILE 33 3HD1 ILE 33 0.986 3.668 7.759 230 HD12 ILE 33 1HD1 ILE 33 -0.568 2.909 7.411 231 HD13 ILE 33 2HD1 ILE 33 0.917 1.962 7.314 232 H ILE 34 H ILE 34 -2.693 3.866 11.598 233 HA ILE 34 HA ILE 34 -2.412 6.477 12.617 234 HB ILE 34 HB ILE 34 -4.866 6.459 12.903 235 HG12 ILE 34 2HG1 ILE 34 -4.679 3.601 11.945 236 HG13 ILE 34 1HG1 ILE 34 -5.049 4.078 13.597 237 HG21 ILE 34 1HG2 ILE 34 -3.511 5.687 10.387 238 HG22 ILE 34 2HG2 ILE 34 -4.420 7.145 10.786 239 HG23 ILE 34 3HG2 ILE 34 -5.275 5.651 10.402 240 HD11 ILE 34 3HD1 ILE 34 -7.037 3.460 12.278 241 HD12 ILE 34 1HD1 ILE 34 -6.706 4.813 11.198 242 HD13 ILE 34 2HD1 ILE 34 -7.096 5.113 12.891 243 H LYS 35 H LYS 35 -3.159 3.383 14.129 244 HA LYS 35 HA LYS 35 -3.736 4.488 16.699 245 HB2 LYS 35 2HB LYS 35 -4.496 2.229 15.889 246 HB3 LYS 35 1HB LYS 35 -2.836 1.674 16.063 247 HG2 LYS 35 2HG LYS 35 -3.023 1.440 18.274 248 HG3 LYS 35 1HG LYS 35 -3.885 2.968 18.457 249 HD2 LYS 35 2HD LYS 35 -5.948 1.994 18.173 250 HD3 LYS 35 1HD LYS 35 -5.302 0.659 17.215 251 HE2 LYS 35 2HE LYS 35 -4.354 -0.354 19.191 252 HE3 LYS 35 1HE LYS 35 -4.846 1.027 20.173 253 HZ1 LYS 35 3HZ LYS 35 -6.595 -0.300 20.603 254 HZ2 LYS 35 1HZ LYS 35 -6.426 -1.200 19.180 255 HZ3 LYS 35 2HZ LYS 35 -7.184 0.312 19.140 256 H GLY 36 H GLY 36 -0.882 3.194 15.110 257 HA2 GLY 36 2HA GLY 36 0.800 3.251 17.409 258 HA3 GLY 36 1HA GLY 36 1.330 3.140 15.736 259 H LEU 37 H LEU 37 0.119 5.527 14.808 260 HA LEU 37 HA LEU 37 2.132 7.399 15.504 261 HB2 LEU 37 2HB LEU 37 -0.423 7.664 13.926 262 HB3 LEU 37 1HB LEU 37 0.719 8.980 14.126 263 HG LEU 37 HG LEU 37 1.562 6.345 12.953 264 HD11 LEU 37 1HD1 LEU 37 1.134 7.189 10.752 265 HD12 LEU 37 2HD1 LEU 37 0.565 8.726 11.402 266 HD13 LEU 37 3HD1 LEU 37 -0.367 7.255 11.677 267 HD21 LEU 37 3HD2 LEU 37 3.033 8.450 13.782 268 HD22 LEU 37 1HD2 LEU 37 2.732 8.909 12.107 269 HD23 LEU 37 2HD2 LEU 37 3.509 7.369 12.473 270 H ALA 38 H ALA 38 -1.187 6.901 16.518 271 HA ALA 38 HA ALA 38 -1.459 9.401 17.864 272 HB1 ALA 38 1HB ALA 38 -3.025 6.836 18.027 273 HB2 ALA 38 2HB ALA 38 -3.447 8.309 17.154 274 HB3 ALA 38 3HB ALA 38 -3.451 8.298 18.917 275 H ARG 39 H ARG 39 -0.063 6.343 18.695 276 HA ARG 39 HA ARG 39 0.042 7.093 21.526 277 HB2 ARG 39 2HB ARG 39 -0.585 4.703 20.426 278 HB3 ARG 39 1HB ARG 39 1.142 4.487 20.672 279 HG2 ARG 39 2HG ARG 39 -0.519 5.528 22.913 280 HG3 ARG 39 1HG ARG 39 -0.572 3.807 22.522 281 HD2 ARG 39 2HD ARG 39 2.132 4.919 22.637 282 HD3 ARG 39 1HD ARG 39 1.258 5.011 24.165 283 HE ARG 39 HE ARG 39 1.116 2.432 22.903 284 HH11 ARG 39 1HH1 ARG 39 2.982 4.478 25.026 285 HH12 ARG 39 2HH1 ARG 39 3.762 3.152 25.823 286 HH21 ARG 39 1HH2 ARG 39 2.139 0.687 23.951 287 HH22 ARG 39 2HH2 ARG 39 3.283 1.000 25.214 288 H PHE 40 H PHE 40 2.038 6.635 18.716 289 HA PHE 40 HA PHE 40 4.440 7.099 20.353 290 HB2 PHE 40 2HB PHE 40 4.039 5.802 17.670 291 HB3 PHE 40 1HB PHE 40 5.622 6.374 18.179 292 HD1 PHE 40 1HD PHE 40 6.814 5.289 19.991 293 HD2 PHE 40 2HD PHE 40 3.007 3.887 18.703 294 HE1 PHE 40 1HE PHE 40 7.183 3.181 21.206 295 HE2 PHE 40 2HE PHE 40 3.369 1.778 19.916 296 HZ PHE 40 HZ PHE 40 5.459 1.424 21.170 297 H THR 41 H THR 41 5.188 9.102 20.369 298 HA THR 41 HA THR 41 5.444 10.616 17.936 299 HB THR 41 HB THR 41 4.258 12.598 19.331 300 HG1 THR 41 1HG THR 41 2.470 11.828 20.378 301 HG21 THR 41 3HG2 THR 41 3.711 11.987 17.023 302 HG22 THR 41 1HG2 THR 41 2.275 12.314 17.990 303 HG23 THR 41 2HG2 THR 41 2.729 10.650 17.623 304 H LYS 42 H LYS 42 7.591 9.933 18.999 305 HA LYS 42 HA LYS 42 8.453 12.073 20.834 306 HB2 LYS 42 2HB LYS 42 9.323 9.197 20.642 307 HB3 LYS 42 1HB LYS 42 10.311 10.411 21.442 308 HG2 LYS 42 2HG LYS 42 9.105 10.254 23.290 309 HG3 LYS 42 1HG LYS 42 7.613 10.562 22.402 310 HD2 LYS 42 2HD LYS 42 8.728 7.868 22.045 311 HD3 LYS 42 1HD LYS 42 8.194 8.239 23.687 312 HE2 LYS 42 2HE LYS 42 6.111 9.206 22.281 313 HE3 LYS 42 1HE LYS 42 6.630 7.908 21.207 314 HZ1 LYS 42 3HZ LYS 42 6.105 7.521 24.099 315 HZ2 LYS 42 1HZ LYS 42 6.351 6.323 22.929 316 HZ3 LYS 42 2HZ LYS 42 4.943 7.259 22.900 317 H GLY 43 H GLY 43 8.363 12.107 17.897 318 HA2 GLY 43 2HA GLY 43 11.084 13.001 17.474 319 HA3 GLY 43 1HA GLY 43 10.613 11.621 16.494 320 H GLN 44 H GLN 44 10.836 12.798 14.572 321 HA GLN 44 HA GLN 44 8.833 14.920 14.169 322 HB2 GLN 44 2HB GLN 44 11.587 14.509 13.100 323 HB3 GLN 44 1HB GLN 44 10.409 15.313 12.071 324 HG2 GLN 44 2HG GLN 44 10.424 17.191 13.297 325 HG3 GLN 44 1HG GLN 44 10.550 16.321 14.824 326 HE21 GLN 44 1HE2 GLN 44 12.127 17.715 15.600 327 HE22 GLN 44 2HE2 GLN 44 13.751 17.690 15.012 328 H GLN 45 H GLN 45 10.089 11.885 12.986 329 HA GLN 45 HA GLN 45 7.983 11.855 10.924 330 HB2 GLN 45 2HB GLN 45 10.775 10.827 10.950 331 HB3 GLN 45 1HB GLN 45 9.572 9.881 10.083 332 HG2 GLN 45 2HG GLN 45 9.343 11.417 8.445 333 HG3 GLN 45 1HG GLN 45 9.605 12.779 9.533 334 HE21 GLN 45 1HE2 GLN 45 10.787 11.624 6.883 335 HE22 GLN 45 2HE2 GLN 45 12.485 11.854 7.104 336 H ARG 46 H ARG 46 6.653 11.213 12.863 337 HA ARG 46 HA ARG 46 6.987 8.794 14.212 338 HB2 ARG 46 2HB ARG 46 4.355 10.082 13.481 339 HB3 ARG 46 1HB ARG 46 4.651 8.969 14.809 340 HG2 ARG 46 2HG ARG 46 4.923 10.754 16.091 341 HG3 ARG 46 1HG ARG 46 6.454 11.017 15.253 342 HD2 ARG 46 2HD ARG 46 4.964 13.015 15.317 343 HD3 ARG 46 1HD ARG 46 5.420 12.505 13.692 344 HE ARG 46 HE ARG 46 2.995 11.279 14.319 345 HH11 ARG 46 1HH1 ARG 46 4.248 14.494 13.793 346 HH12 ARG 46 2HH1 ARG 46 2.744 15.119 13.205 347 HH21 ARG 46 1HH2 ARG 46 1.016 12.100 13.546 348 HH22 ARG 46 2HH2 ARG 46 0.909 13.761 13.065 349 H PHE 47 H PHE 47 5.778 9.459 11.016 350 HA PHE 47 HA PHE 47 4.343 7.102 10.543 351 HB2 PHE 47 2HB PHE 47 5.956 8.577 8.462 352 HB3 PHE 47 1HB PHE 47 4.487 7.636 8.223 353 HD1 PHE 47 2HD PHE 47 2.424 8.509 9.664 354 HD2 PHE 47 1HD PHE 47 5.767 10.858 8.477 355 HE1 PHE 47 2HE PHE 47 1.074 10.549 9.918 356 HE2 PHE 47 1HE PHE 47 4.423 12.904 8.729 357 HZ PHE 47 HZ PHE 47 2.073 12.752 9.450 358 H GLN 48 H GLN 48 7.770 7.855 9.953 359 HA GLN 48 HA GLN 48 8.386 5.284 8.908 360 HB2 GLN 48 2HB GLN 48 10.273 7.295 10.147 361 HB3 GLN 48 1HB GLN 48 10.714 5.965 9.084 362 HG2 GLN 48 2HG GLN 48 9.185 7.088 7.364 363 HG3 GLN 48 1HG GLN 48 9.267 8.499 8.416 364 HE21 GLN 48 1HE2 GLN 48 11.508 9.186 9.016 365 HE22 GLN 48 2HE2 GLN 48 12.711 9.122 7.778 366 H GLN 49 H GLN 49 8.901 6.796 12.086 367 HA GLN 49 HA GLN 49 10.175 4.650 13.331 368 HB2 GLN 49 2HB GLN 49 9.507 7.156 14.098 369 HB3 GLN 49 1HB GLN 49 8.309 6.232 14.994 370 HG2 GLN 49 2HG GLN 49 10.435 4.800 15.643 371 HG3 GLN 49 1HG GLN 49 11.256 6.320 15.294 372 HE21 GLN 49 1HE2 GLN 49 11.749 6.004 17.644 373 HE22 GLN 49 2HE2 GLN 49 10.646 6.689 18.781 374 H ILE 50 H ILE 50 6.708 5.479 13.279 375 HA ILE 50 HA ILE 50 5.829 3.304 14.802 376 HB ILE 50 HB ILE 50 4.484 5.352 14.122 377 HG12 ILE 50 2HG1 ILE 50 3.576 3.350 15.311 378 HG13 ILE 50 1HG1 ILE 50 2.385 4.200 14.335 379 HG21 ILE 50 1HG2 ILE 50 4.806 5.326 11.749 380 HG22 ILE 50 2HG2 ILE 50 3.093 5.098 12.088 381 HG23 ILE 50 3HG2 ILE 50 4.090 3.720 11.621 382 HD11 ILE 50 3HD1 ILE 50 1.868 2.174 13.569 383 HD12 ILE 50 1HD1 ILE 50 3.385 1.472 14.125 384 HD13 ILE 50 2HD1 ILE 50 3.323 2.330 12.585 385 H TYR 51 H TYR 51 6.439 3.621 11.349 386 HA TYR 51 HA TYR 51 5.324 1.190 10.514 387 HB2 TYR 51 2HB TYR 51 6.020 2.961 8.948 388 HB3 TYR 51 1HB TYR 51 7.705 2.644 9.348 389 HD1 TYR 51 1HD TYR 51 4.769 0.509 8.436 390 HD2 TYR 51 2HD TYR 51 8.814 1.561 7.648 391 HE1 TYR 51 1HE TYR 51 4.862 -1.199 6.669 392 HE2 TYR 51 2HE TYR 51 8.918 -0.142 5.880 393 HH TYR 51 HH TYR 51 7.728 -2.281 5.308 394 H TYR 52 H TYR 52 8.475 1.980 11.850 395 HA TYR 52 HA TYR 52 9.707 -0.513 11.362 396 HB2 TYR 52 2HB TYR 52 10.255 1.799 13.171 397 HB3 TYR 52 1HB TYR 52 11.115 0.288 13.449 398 HD1 TYR 52 1HD TYR 52 11.845 -0.744 10.933 399 HD2 TYR 52 2HD TYR 52 11.575 3.341 12.089 400 HE1 TYR 52 1HE TYR 52 13.466 -0.148 9.183 401 HE2 TYR 52 2HE TYR 52 13.192 3.950 10.340 402 HH TYR 52 HH TYR 52 15.181 1.865 8.869 403 H ALA 53 H ALA 53 8.128 0.793 14.256 404 HA ALA 53 HA ALA 53 8.408 -1.524 15.831 405 HB1 ALA 53 1HB ALA 53 6.730 0.925 15.968 406 HB2 ALA 53 2HB ALA 53 7.894 0.286 17.128 407 HB3 ALA 53 3HB ALA 53 6.296 -0.447 16.989 408 H TYR 54 H TYR 54 5.764 -0.381 13.785 409 HA TYR 54 HA TYR 54 4.142 -2.694 14.296 410 HB2 TYR 54 2HB TYR 54 2.603 -1.182 13.693 411 HB3 TYR 54 1HB TYR 54 3.826 -0.118 13.017 412 HD1 TYR 54 2HD TYR 54 4.678 -0.764 10.618 413 HD2 TYR 54 1HD TYR 54 1.013 -2.117 12.302 414 HE1 TYR 54 2HE TYR 54 3.812 -1.213 8.360 415 HE2 TYR 54 1HE TYR 54 0.138 -2.568 10.049 416 HH TYR 54 HH TYR 54 1.261 -1.338 7.357 417 H ARG 55 H ARG 55 6.874 -2.264 12.475 418 HA ARG 55 HA ARG 55 6.372 -3.474 10.032 419 HB2 ARG 55 2HB ARG 55 8.515 -2.404 10.689 420 HB3 ARG 55 1HB ARG 55 8.861 -3.788 11.719 421 HG2 ARG 55 2HG ARG 55 8.564 -5.164 9.543 422 HG3 ARG 55 1HG ARG 55 8.817 -3.613 8.738 423 HD2 ARG 55 2HD ARG 55 11.002 -3.544 9.278 424 HD3 ARG 55 1HD ARG 55 10.735 -4.239 10.876 425 HE ARG 55 HE ARG 55 10.322 -6.292 9.092 426 HH11 ARG 55 1HH1 ARG 55 12.954 -4.148 9.903 427 HH12 ARG 55 2HH1 ARG 55 14.183 -5.293 9.479 428 HH21 ARG 55 1HH2 ARG 55 11.937 -7.799 8.535 429 HH22 ARG 55 2HH2 ARG 55 13.605 -7.366 8.703 430 H SER 56 H SER 56 4.921 -5.165 10.197 431 HA SER 56 HA SER 56 5.926 -7.743 10.422 432 HB2 SER 56 2HB SER 56 4.671 -8.461 12.524 433 HB3 SER 56 1HB SER 56 6.138 -7.518 12.782 434 HG SER 56 HG SER 56 3.526 -6.414 12.712 435 H VAL 57 H VAL 57 3.122 -5.660 10.821 436 HA VAL 57 HA VAL 57 1.149 -7.579 10.167 437 HB VAL 57 HB VAL 57 1.033 -4.583 9.788 438 HG11 VAL 57 1HG1 VAL 57 -1.472 -5.152 10.247 439 HG12 VAL 57 2HG1 VAL 57 -1.011 -6.754 9.672 440 HG13 VAL 57 3HG1 VAL 57 -0.801 -5.348 8.628 441 HG21 VAL 57 3HG2 VAL 57 1.398 -4.695 12.031 442 HG22 VAL 57 1HG2 VAL 57 0.746 -6.327 12.169 443 HG23 VAL 57 2HG2 VAL 57 -0.347 -4.952 12.019 444 H TRP 58 H TRP 58 2.185 -4.803 8.188 445 HA TRP 58 HA TRP 58 1.704 -6.454 5.801 446 HB2 TRP 58 2HB TRP 58 0.511 -4.073 6.478 447 HB3 TRP 58 1HB TRP 58 1.807 -3.547 5.411 448 HD1 TRP 58 HD TRP 58 0.560 -3.019 3.228 449 HE1 TRP 58 1HE TRP 58 -0.971 -4.338 1.633 450 HE3 TRP 58 3HE TRP 58 -0.103 -7.233 6.043 451 HZ2 TRP 58 2HZ TRP 58 -2.288 -6.834 1.579 452 HZ3 TRP 58 3HZ TRP 58 -1.514 -9.039 5.148 453 HH2 TRP 58 HH TRP 58 -2.585 -8.842 2.961 454 H HIS 59 H HIS 59 3.446 -7.005 4.682 455 HA HIS 59 HA HIS 59 5.558 -7.053 3.844 456 HB2 HIS 59 2HB HIS 59 5.202 -4.058 4.059 457 HB3 HIS 59 1HB HIS 59 6.563 -4.826 3.249 458 HD1 HIS 59 1HD HIS 59 3.487 -6.677 2.683 459 HD2 HIS 59 2HD HIS 59 5.402 -3.422 0.950 460 HE1 HIS 59 1HE HIS 59 2.430 -6.403 0.417 461 HE2 HIS 59 2HE HIS 59 3.549 -4.378 -0.579 462 HA PRO 60 HA PRO 60 7.290 -6.522 8.163 463 HB2 PRO 60 2HB PRO 60 8.053 -9.338 7.756 464 HB3 PRO 60 1HB PRO 60 7.196 -8.591 9.108 465 HG2 PRO 60 2HG PRO 60 5.946 -10.202 7.361 466 HG3 PRO 60 1HG PRO 60 5.136 -8.805 8.091 467 HD2 PRO 60 2HD PRO 60 6.332 -9.088 5.360 468 HD3 PRO 60 1HD PRO 60 4.811 -8.310 5.848 469 H ALA 61 H ALA 61 8.689 -5.211 6.570 470 HA ALA 61 HA ALA 61 11.374 -5.976 6.894 471 HB1 ALA 61 1HB ALA 61 10.685 -6.045 3.991 472 HB2 ALA 61 2HB ALA 61 10.495 -7.500 4.969 473 HB3 ALA 61 3HB ALA 61 12.075 -6.728 4.833 474 H ARG 62 H ARG 62 12.841 -4.544 5.403 475 HA ARG 62 HA ARG 62 12.232 -1.868 5.945 476 HB2 ARG 62 2HB ARG 62 14.406 -3.342 4.800 477 HB3 ARG 62 1HB ARG 62 14.086 -1.933 3.800 478 HG2 ARG 62 2HG ARG 62 15.504 -0.960 5.255 479 HG3 ARG 62 1HG ARG 62 14.028 -0.770 6.206 480 HD2 ARG 62 2HD ARG 62 14.536 -2.727 7.495 481 HD3 ARG 62 1HD ARG 62 15.907 -3.112 6.456 482 HE ARG 62 HE ARG 62 16.304 -0.561 7.532 483 HH11 ARG 62 1HH1 ARG 62 16.164 -3.885 8.585 484 HH12 ARG 62 2HH1 ARG 62 17.240 -3.639 9.919 485 HH21 ARG 62 1HH2 ARG 62 17.721 -0.236 9.285 486 HH22 ARG 62 2HH2 ARG 62 18.125 -1.567 10.317 487 H THR 63 H THR 63 10.583 -0.795 5.078 488 HA THR 63 HA THR 63 10.472 -0.338 2.255 489 HB THR 63 HB THR 63 7.866 -1.371 3.173 490 HG1 THR 63 1HG THR 63 9.931 -3.201 2.545 491 HG21 THR 63 3HG2 THR 63 9.397 -2.104 0.702 492 HG22 THR 63 1HG2 THR 63 8.437 -0.630 0.828 493 HG23 THR 63 2HG2 THR 63 7.660 -2.205 0.992 494 H VAL 64 H VAL 64 10.811 1.309 4.522 495 HA VAL 64 HA VAL 64 8.529 2.566 5.479 496 HB VAL 64 HB VAL 64 10.819 3.009 6.319 497 HG11 VAL 64 1HG1 VAL 64 11.078 4.574 3.757 498 HG12 VAL 64 2HG1 VAL 64 12.058 3.205 4.282 499 HG13 VAL 64 3HG1 VAL 64 12.166 4.746 5.134 500 HG21 VAL 64 3HG2 VAL 64 10.490 5.405 6.742 501 HG22 VAL 64 1HG2 VAL 64 8.993 4.491 6.926 502 HG23 VAL 64 2HG2 VAL 64 9.266 5.452 5.472 503 H SER 65 H SER 65 10.174 2.901 2.412 504 HA SER 65 HA SER 65 9.002 5.268 1.494 505 HB2 SER 65 2HB SER 65 9.657 2.894 -0.256 506 HB3 SER 65 1HB SER 65 9.679 4.602 -0.697 507 HG SER 65 HG SER 65 11.482 4.888 0.580 508 H GLN 66 H GLN 66 7.891 1.928 1.433 509 HA GLN 66 HA GLN 66 5.592 2.335 -0.151 510 HB2 GLN 66 2HB GLN 66 6.460 0.244 1.806 511 HB3 GLN 66 1HB GLN 66 4.792 0.254 1.255 512 HG2 GLN 66 2HG GLN 66 7.199 0.126 -0.545 513 HG3 GLN 66 1HG GLN 66 6.233 -1.260 -0.040 514 HE21 GLN 66 1HE2 GLN 66 6.476 1.431 -2.148 515 HE22 GLN 66 2HE2 GLN 66 5.032 1.142 -3.049 516 H LEU 67 H LEU 67 6.273 2.790 3.246 517 HA LEU 67 HA LEU 67 3.636 3.039 4.189 518 HB2 LEU 67 2HB LEU 67 5.820 2.830 5.519 519 HB3 LEU 67 1HB LEU 67 6.010 4.552 5.261 520 HG LEU 67 HG LEU 67 5.103 4.425 7.393 521 HD11 LEU 67 1HD1 LEU 67 2.896 5.348 7.283 522 HD12 LEU 67 2HD1 LEU 67 2.649 4.682 5.668 523 HD13 LEU 67 3HD1 LEU 67 3.836 5.960 5.923 524 HD21 LEU 67 3HD2 LEU 67 4.383 2.411 8.009 525 HD22 LEU 67 1HD2 LEU 67 3.856 1.995 6.379 526 HD23 LEU 67 2HD2 LEU 67 2.806 2.939 7.436 527 H TYR 68 H TYR 68 5.972 5.471 3.130 528 HA TYR 68 HA TYR 68 4.250 7.683 3.403 529 HB2 TYR 68 2HB TYR 68 6.745 7.175 1.803 530 HB3 TYR 68 1HB TYR 68 5.857 8.685 1.622 531 HD1 TYR 68 1HD TYR 68 5.848 7.111 4.901 532 HD2 TYR 68 2HD TYR 68 7.891 9.876 2.388 533 HE1 TYR 68 1HE TYR 68 7.013 8.030 6.863 534 HE2 TYR 68 2HE TYR 68 9.060 10.798 4.344 535 HH TYR 68 HH TYR 68 9.708 9.908 6.692 536 H ASP 69 H ASP 69 4.608 5.245 0.965 537 HA ASP 69 HA ASP 69 3.294 6.597 -1.145 538 HB2 ASP 69 2HB ASP 69 4.779 4.523 -1.293 539 HB3 ASP 69 1HB ASP 69 3.371 3.610 -0.758 540 H HIS 70 H HIS 70 2.135 4.171 1.190 541 HA HIS 70 HA HIS 70 -0.569 4.552 0.246 542 HB2 HIS 70 2HB HIS 70 -1.221 2.884 1.901 543 HB3 HIS 70 1HB HIS 70 0.132 2.314 0.935 544 HD1 HIS 70 1HD HIS 70 1.532 0.930 2.378 545 HD2 HIS 70 2HD HIS 70 0.164 4.314 4.360 546 HE1 HIS 70 1HE HIS 70 2.582 0.841 4.652 547 HE2 HIS 70 2HE HIS 70 1.789 2.931 5.816 548 H TRP 71 H TRP 71 1.495 6.001 2.485 549 HA TRP 71 HA TRP 71 -0.590 6.980 4.233 550 HB2 TRP 71 2HB TRP 71 1.610 6.602 5.198 551 HB3 TRP 71 1HB TRP 71 2.353 7.663 4.005 552 HD1 TRP 71 HD TRP 71 3.116 9.770 5.234 553 HE1 TRP 71 1HE TRP 71 2.089 11.376 6.963 554 HE3 TRP 71 3HE TRP 71 -1.290 7.325 6.094 555 HZ2 TRP 71 2HZ TRP 71 -0.276 11.579 8.490 556 HZ3 TRP 71 3HZ TRP 71 -2.881 8.292 7.703 557 HH2 TRP 71 HH TRP 71 -2.382 10.374 8.876 558 H ARG 72 H ARG 72 1.262 8.013 1.440 559 HA ARG 72 HA ARG 72 0.358 10.737 1.529 560 HB2 ARG 72 2HB ARG 72 2.479 10.023 0.422 561 HB3 ARG 72 1HB ARG 72 1.523 9.198 -0.800 562 HG2 ARG 72 2HG ARG 72 0.780 11.997 -0.430 563 HG3 ARG 72 1HG ARG 72 2.447 11.764 -0.964 564 HD2 ARG 72 2HD ARG 72 0.488 10.096 -2.367 565 HD3 ARG 72 1HD ARG 72 0.261 11.829 -2.601 566 HE ARG 72 HE ARG 72 2.269 10.236 -3.770 567 HH11 ARG 72 1HH1 ARG 72 1.814 13.370 -2.303 568 HH12 ARG 72 2HH1 ARG 72 3.104 14.111 -3.189 569 HH21 ARG 72 1HH2 ARG 72 3.967 11.208 -4.935 570 HH22 ARG 72 2HH2 ARG 72 4.327 12.883 -4.682 571 H GLY 73 H GLY 73 -0.583 7.779 -0.129 572 HA2 GLY 73 2HA GLY 73 -2.577 8.986 -1.771 573 HA3 GLY 73 1HA GLY 73 -2.414 7.269 -1.430 574 H THR 74 H THR 74 -2.620 7.444 1.408 575 HA THR 74 HA THR 74 -5.457 7.463 1.664 576 HB THR 74 HB THR 74 -3.300 7.292 3.779 577 HG1 THR 74 1HG THR 74 -4.853 5.231 2.611 578 HG21 THR 74 3HG2 THR 74 -5.952 7.756 4.263 579 HG22 THR 74 1HG2 THR 74 -4.818 6.990 5.374 580 HG23 THR 74 2HG2 THR 74 -5.843 5.997 4.339 581 H LEU 75 H LEU 75 -2.886 9.711 2.472 582 HA LEU 75 HA LEU 75 -4.223 11.438 4.185 583 HB2 LEU 75 2HB LEU 75 -1.797 11.514 3.560 584 HB3 LEU 75 1HB LEU 75 -2.264 12.256 2.041 585 HG LEU 75 HG LEU 75 -3.217 13.576 4.522 586 HD11 LEU 75 1HD1 LEU 75 -0.670 12.820 4.641 587 HD12 LEU 75 2HD1 LEU 75 -1.222 14.382 5.245 588 HD13 LEU 75 3HD1 LEU 75 -0.470 14.268 3.654 589 HD21 LEU 75 3HD2 LEU 75 -3.499 14.232 1.995 590 HD22 LEU 75 1HD2 LEU 75 -1.885 14.909 2.212 591 HD23 LEU 75 2HD2 LEU 75 -3.218 15.467 3.222 592 H ARG 76 H ARG 76 -4.230 11.325 0.652 593 HA ARG 76 HA ARG 76 -6.562 13.120 0.680 594 HB2 ARG 76 2HB ARG 76 -4.159 13.922 -0.266 595 HB3 ARG 76 1HB ARG 76 -4.831 13.196 -1.719 596 HG2 ARG 76 2HG ARG 76 -6.908 14.638 -1.200 597 HG3 ARG 76 1HG ARG 76 -5.812 15.549 -0.159 598 HD2 ARG 76 2HD ARG 76 -4.737 16.481 -1.899 599 HD3 ARG 76 1HD ARG 76 -4.761 14.990 -2.838 600 HE ARG 76 HE ARG 76 -6.555 17.172 -3.077 601 HH11 ARG 76 1HH1 ARG 76 -6.419 13.688 -3.238 602 HH12 ARG 76 2HH1 ARG 76 -7.767 13.561 -4.317 603 HH21 ARG 76 1HH2 ARG 76 -8.328 17.006 -4.496 604 HH22 ARG 76 2HH2 ARG 76 -8.850 15.443 -5.033 605 H TYR 77 H TYR 77 -8.023 11.438 0.484 606 HA TYR 77 HA TYR 77 -7.795 9.776 -1.933 607 HB2 TYR 77 2HB TYR 77 -7.999 8.769 0.468 608 HB3 TYR 77 1HB TYR 77 -9.702 9.185 0.307 609 HD1 TYR 77 2HD TYR 77 -6.998 7.037 -0.927 610 HD2 TYR 77 1HD TYR 77 -11.132 7.991 -1.240 611 HE1 TYR 77 2HE TYR 77 -7.381 4.946 -2.164 612 HE2 TYR 77 1HE TYR 77 -11.528 5.904 -2.477 613 HH TYR 77 HH TYR 77 -10.206 4.315 -3.879 614 H LYS 78 H LYS 78 -8.648 12.346 -2.338 615 HA LYS 78 HA LYS 78 -10.299 13.569 -3.313 616 HB2 LYS 78 2HB LYS 78 -10.456 11.148 -4.455 617 HB3 LYS 78 1HB LYS 78 -12.049 11.204 -3.714 618 HG2 LYS 78 2HG LYS 78 -12.456 13.359 -4.866 619 HG3 LYS 78 1HG LYS 78 -10.903 13.170 -5.684 620 HD2 LYS 78 2HD LYS 78 -11.708 11.029 -6.629 621 HD3 LYS 78 1HD LYS 78 -13.278 11.319 -5.876 622 HE2 LYS 78 2HE LYS 78 -13.163 13.585 -7.160 623 HE3 LYS 78 1HE LYS 78 -11.972 12.747 -8.155 624 HZ1 LYS 78 3HZ LYS 78 -13.797 12.137 -9.291 625 HZ2 LYS 78 1HZ LYS 78 -14.843 12.358 -7.978 626 HZ3 LYS 78 2HZ LYS 78 -13.923 10.944 -8.099 627 H VAL 79 H VAL 79 -10.394 13.051 -0.443 628 HA VAL 79 HA VAL 79 -11.736 13.496 1.341 629 HB VAL 79 HB VAL 79 -13.763 14.487 -0.664 630 HG11 VAL 79 1HG1 VAL 79 -14.666 14.279 1.556 631 HG12 VAL 79 2HG1 VAL 79 -14.408 15.987 1.203 632 HG13 VAL 79 3HG1 VAL 79 -13.276 15.122 2.242 633 HG21 VAL 79 3HG2 VAL 79 -11.170 15.606 0.190 634 HG22 VAL 79 1HG2 VAL 79 -12.530 16.728 0.169 635 HG23 VAL 79 2HG2 VAL 79 -12.081 15.857 -1.298 636 H ILE 80 H ILE 80 -13.598 12.739 2.505 637 HA ILE 80 HA ILE 80 -14.381 10.106 1.733 638 HB ILE 80 HB ILE 80 -15.571 11.755 3.961 639 HG12 ILE 80 2HG1 ILE 80 -13.722 10.084 5.125 640 HG13 ILE 80 1HG1 ILE 80 -12.895 10.588 3.655 641 HG21 ILE 80 1HG2 ILE 80 -15.616 8.887 3.190 642 HG22 ILE 80 2HG2 ILE 80 -16.891 9.897 3.871 643 HG23 ILE 80 3HG2 ILE 80 -15.601 9.288 4.908 644 HD11 ILE 80 3HD1 ILE 80 -14.194 12.664 5.333 645 HD12 ILE 80 1HD1 ILE 80 -12.755 12.764 4.320 646 HD13 ILE 80 2HD1 ILE 80 -12.678 11.950 5.883 647 H GLN 81 H GLN 81 -16.573 9.346 1.489 648 HA GLN 81 HA GLN 81 -18.054 10.808 -0.395 649 HB2 GLN 81 2HB GLN 81 -18.775 8.415 1.295 650 HB3 GLN 81 1HB GLN 81 -19.840 9.068 0.059 651 HG2 GLN 81 2HG GLN 81 -17.029 8.242 -0.564 652 HG3 GLN 81 1HG GLN 81 -18.361 7.087 -0.560 653 HE21 GLN 81 1HE2 GLN 81 -16.594 9.151 -2.433 654 HE22 GLN 81 2HE2 GLN 81 -17.688 9.342 -3.757 655 H GLN 82 H GLN 82 -20.051 11.860 -0.256 656 HA GLN 82 HA GLN 82 -21.392 12.240 2.241 657 HB2 GLN 82 2HB GLN 82 -19.231 13.946 1.754 658 HB3 GLN 82 1HB GLN 82 -20.651 14.898 1.345 659 HG2 GLN 82 2HG GLN 82 -20.385 13.407 3.937 660 HG3 GLN 82 1HG GLN 82 -19.829 15.065 3.721 661 HE21 GLN 82 1HE2 GLN 82 -22.037 13.726 5.315 662 HE22 GLN 82 2HE2 GLN 82 -23.438 14.672 4.959 663 H GLN 83 H GLN 83 -23.163 11.535 1.023 664 HA GLN 83 HA GLN 83 -24.186 13.514 -0.907 665 HB2 GLN 83 2HB GLN 83 -24.729 10.541 -0.931 666 HB3 GLN 83 1HB GLN 83 -25.282 11.717 -2.115 667 HG2 GLN 83 2HG GLN 83 -22.600 12.110 -2.192 668 HG3 GLN 83 1HG GLN 83 -22.690 10.385 -1.844 669 HE21 GLN 83 1HE2 GLN 83 -22.560 12.610 -4.252 670 HE22 GLN 83 2HE2 GLN 83 -23.235 11.683 -5.543 671 H GLY 84 H GLY 84 -26.614 13.435 -1.118 672 HA2 GLY 84 2HA GLY 84 -28.728 13.473 -0.201 673 HA3 GLY 84 1HA GLY 84 -28.155 12.375 1.045 674 H TYR 85 H TYR 85 -29.930 14.372 1.664 675 HA TYR 85 HA TYR 85 -28.253 16.249 3.197 676 HB2 TYR 85 2HB TYR 85 -30.514 16.739 1.430 677 HB3 TYR 85 1HB TYR 85 -30.779 17.409 3.036 678 HD1 TYR 85 1HD TYR 85 -27.602 17.092 1.119 679 HD2 TYR 85 2HD TYR 85 -30.527 19.710 2.759 680 HE1 TYR 85 1HE TYR 85 -26.190 19.020 0.541 681 HE2 TYR 85 2HE TYR 85 -29.123 21.647 2.183 682 HH TYR 85 HH TYR 85 -25.881 21.363 1.282 683 H ARG 86 H ARG 86 -29.187 13.593 3.970 684 HA ARG 86 HA ARG 86 -31.389 13.865 5.760 685 HB2 ARG 86 2HB ARG 86 -29.532 11.762 4.942 686 HB3 ARG 86 1HB ARG 86 -29.956 11.674 6.646 687 HG2 ARG 86 2HG ARG 86 -31.435 10.308 5.269 688 HG3 ARG 86 1HG ARG 86 -32.315 11.605 6.081 689 HD2 ARG 86 2HD ARG 86 -31.888 12.916 3.880 690 HD3 ARG 86 1HD ARG 86 -31.599 11.319 3.189 691 HE ARG 86 HE ARG 86 -34.125 12.438 3.980 692 HH11 ARG 86 1HH1 ARG 86 -32.355 9.483 3.417 693 HH12 ARG 86 2HH1 ARG 86 -33.776 8.541 3.116 694 HH21 ARG 86 1HH2 ARG 86 -35.997 11.200 3.583 695 HH22 ARG 86 2HH2 ARG 86 -35.844 9.516 3.209 696 H GLY 87 H GLY 87 -31.351 13.832 8.052 697 HA2 GLY 87 2HA GLY 87 -29.274 15.482 9.165 698 HA3 GLY 87 1HA GLY 87 -30.682 14.860 10.013 699 H LYS 88 H LYS 88 -29.890 12.085 9.026 700 HA LYS 88 HA LYS 88 -28.575 11.238 11.350 701 HB2 LYS 88 2HB LYS 88 -28.619 9.764 8.713 702 HB3 LYS 88 1HB LYS 88 -28.440 9.069 10.319 703 HG2 LYS 88 2HG LYS 88 -30.902 10.428 9.241 704 HG3 LYS 88 1HG LYS 88 -30.672 8.692 9.447 705 HD2 LYS 88 2HD LYS 88 -30.363 10.548 11.777 706 HD3 LYS 88 1HD LYS 88 -31.966 10.027 11.256 707 HE2 LYS 88 2HE LYS 88 -31.604 8.293 12.635 708 HE3 LYS 88 1HE LYS 88 -30.638 7.662 11.301 709 HZ1 LYS 88 3HZ LYS 88 -29.643 7.825 13.682 710 HZ2 LYS 88 1HZ LYS 88 -29.372 9.442 13.265 711 HZ3 LYS 88 2HZ LYS 88 -28.686 8.204 12.340 712 H ASN 89 H ASN 89 -26.646 12.186 11.791 713 HA ASN 89 HA ASN 89 -24.386 11.345 10.183 714 HB2 ASN 89 2HB ASN 89 -25.387 14.109 10.206 715 HB3 ASN 89 1HB ASN 89 -23.670 13.963 10.569 716 HD21 ASN 89 1HD2 ASN 89 -22.335 12.830 9.030 717 HD22 ASN 89 2HD2 ASN 89 -22.761 12.848 7.357 718 H SER 90 H SER 90 -22.287 12.031 11.251 719 HA SER 90 HA SER 90 -22.550 12.434 14.136 720 HB2 SER 90 2HB SER 90 -21.225 10.536 14.713 721 HB3 SER 90 1HB SER 90 -22.464 9.950 13.603 722 HG SER 90 HG SER 90 -20.786 9.169 12.591 723 H VAL 91 H VAL 91 -20.054 12.275 15.000 724 HA VAL 91 HA VAL 91 -18.326 13.761 13.164 725 HB VAL 91 HB VAL 91 -17.758 15.374 15.006 726 HG11 VAL 91 1HG1 VAL 91 -20.376 15.299 13.589 727 HG12 VAL 91 2HG1 VAL 91 -19.006 16.389 13.375 728 HG13 VAL 91 3HG1 VAL 91 -20.081 16.584 14.760 729 HG21 VAL 91 3HG2 VAL 91 -18.498 14.688 17.026 730 HG22 VAL 91 1HG2 VAL 91 -19.868 13.808 16.345 731 HG23 VAL 91 2HG2 VAL 91 -19.957 15.556 16.553 732 H ALA 92 H ALA 92 -16.485 12.665 13.111 733 HA ALA 92 HA ALA 92 -15.699 10.846 15.161 734 HB1 ALA 92 1HB ALA 92 -14.862 10.068 13.214 735 HB2 ALA 92 2HB ALA 92 -13.473 11.056 13.666 736 HB3 ALA 92 3HB ALA 92 -14.666 11.681 12.528 737 H ALA 93 H ALA 93 -15.313 11.847 17.090 738 HA ALA 93 HA ALA 93 -13.005 13.673 17.152 739 HB1 ALA 93 1HB ALA 93 -15.053 14.051 19.244 740 HB2 ALA 93 2HB ALA 93 -15.494 14.571 17.618 741 HB3 ALA 93 3HB ALA 93 -14.059 15.236 18.396 742 H ARG 94 H ARG 94 -11.443 13.106 18.536 743 HA ARG 94 HA ARG 94 -11.827 10.729 20.156 744 HB2 ARG 94 2HB ARG 94 -9.406 12.381 19.449 745 HB3 ARG 94 1HB ARG 94 -9.339 11.058 20.605 746 HG2 ARG 94 2HG ARG 94 -10.231 9.562 18.804 747 HG3 ARG 94 1HG ARG 94 -10.011 10.906 17.680 748 HD2 ARG 94 2HD ARG 94 -7.895 9.478 19.280 749 HD3 ARG 94 1HD ARG 94 -8.089 9.493 17.528 750 HE ARG 94 HE ARG 94 -7.753 12.105 18.123 751 HH11 ARG 94 1HH1 ARG 94 -5.944 9.233 18.934 752 HH12 ARG 94 2HH1 ARG 94 -4.425 10.060 19.013 753 HH21 ARG 94 1HH2 ARG 94 -5.757 13.195 18.227 754 HH22 ARG 94 2HH2 ARG 94 -4.319 12.310 18.612 755 H SER 95 H SER 95 -9.898 13.584 20.988 756 HA SER 95 HA SER 95 -10.994 13.462 23.691 757 HB2 SER 95 2HB SER 95 -8.423 13.990 22.648 758 HB3 SER 95 1HB SER 95 -8.981 15.496 23.378 759 HG SER 95 HG SER 95 -8.755 12.947 24.594 760 HA PRO 96 HA PRO 96 -11.589 18.194 22.429 761 HB2 PRO 96 2HB PRO 96 -11.850 17.750 19.498 762 HB3 PRO 96 1HB PRO 96 -11.134 19.108 20.371 763 HG2 PRO 96 2HG PRO 96 -9.590 17.306 19.165 764 HG3 PRO 96 1HG PRO 96 -9.135 17.993 20.736 765 HD2 PRO 96 2HD PRO 96 -10.279 15.309 20.098 766 HD3 PRO 96 1HD PRO 96 -9.067 15.762 21.313 767 H GLU 97 H GLU 97 -13.642 18.788 22.771 768 HA GLU 97 HA GLU 97 -15.804 17.725 21.173 769 HB2 GLU 97 2HB GLU 97 -15.252 16.789 23.915 770 HB3 GLU 97 1HB GLU 97 -16.918 17.263 23.611 771 HG2 GLU 97 2HG GLU 97 -15.552 15.447 21.688 772 HG3 GLU 97 1HG GLU 97 -16.129 14.804 23.225 773 H LYS 98 H LYS 98 -17.983 18.570 22.256 774 HA LYS 98 HA LYS 98 -17.729 21.423 22.297 775 HB2 LYS 98 2HB LYS 98 -20.057 19.530 22.543 776 HB3 LYS 98 1HB LYS 98 -20.257 21.265 22.752 777 HG2 LYS 98 2HG LYS 98 -20.825 20.707 20.505 778 HG3 LYS 98 1HG LYS 98 -19.297 21.591 20.484 779 HD2 LYS 98 2HD LYS 98 -18.058 19.551 20.197 780 HD3 LYS 98 1HD LYS 98 -19.518 18.583 20.411 781 HE2 LYS 98 2HE LYS 98 -20.344 19.126 18.329 782 HE3 LYS 98 1HE LYS 98 -19.426 20.629 18.241 783 HZ1 LYS 98 3HZ LYS 98 -18.758 18.423 16.923 784 HZ2 LYS 98 1HZ LYS 98 -17.856 18.188 18.335 785 HZ3 LYS 98 2HZ LYS 98 -17.631 19.586 17.411 786 H ALA 99 H ALA 99 -16.918 22.363 24.065 787 HA ALA 99 HA ALA 99 -16.677 23.048 26.220 788 HB1 ALA 99 1HB ALA 99 -19.504 22.157 26.099 789 HB2 ALA 99 2HB ALA 99 -18.828 23.738 26.488 790 HB3 ALA 99 3HB ALA 99 -18.807 22.450 27.692 791 H SER 100 H SER 100 -15.171 20.983 25.872 792 HA SER 100 HA SER 100 -15.761 19.093 28.054 793 HB2 SER 100 2HB SER 100 -15.292 18.425 25.477 794 HB3 SER 100 1HB SER 100 -13.641 18.411 26.097 795 HG SER 100 HG SER 100 -14.505 16.386 26.409 796 H ASN 101 H ASN 101 -14.649 21.673 28.508 797 HA ASN 101 HA ASN 101 -12.142 20.865 29.762 798 HB2 ASN 101 2HB ASN 101 -12.421 23.176 27.841 799 HB3 ASN 101 1HB ASN 101 -11.109 23.070 29.012 800 HD21 ASN 101 1HD2 ASN 101 -11.659 22.700 25.918 801 HD22 ASN 101 2HD2 ASN 101 -10.613 21.379 25.535 802 H MET 102 H MET 102 -11.307 23.040 30.977 803 HA MET 102 HA MET 102 -11.652 24.464 32.714 804 HB2 MET 102 2HB MET 102 -13.670 25.085 30.827 805 HB3 MET 102 1HB MET 102 -14.434 25.104 32.411 806 HG2 MET 102 2HG MET 102 -12.127 26.482 32.878 807 HG3 MET 102 1HG MET 102 -12.514 26.952 31.225 808 HE1 MET 102 3HE MET 102 -12.169 28.965 33.220 809 HE2 MET 102 1HE MET 102 -13.620 29.879 33.638 810 HE3 MET 102 2HE MET 102 -13.135 29.717 31.949 811 H GLU 103 H GLU 103 -12.860 24.721 34.767 812 HA GLU 103 HA GLU 103 -14.715 22.612 35.469 813 HB2 GLU 103 2HB GLU 103 -12.264 21.767 35.701 814 HB3 GLU 103 1HB GLU 103 -12.218 22.798 37.125 815 HG2 GLU 103 2HG GLU 103 -13.123 21.160 38.295 816 HG3 GLU 103 1HG GLU 103 -14.584 21.302 37.318 817 H ASN 104 H ASN 104 -15.716 22.933 37.527 818 HA ASN 104 HA ASN 104 -16.664 24.184 39.171 819 HB2 ASN 104 2HB ASN 104 -13.892 24.609 39.400 820 HB3 ASN 104 1HB ASN 104 -14.630 26.200 39.550 821 HD21 ASN 104 1HD2 ASN 104 -15.316 22.889 40.639 822 HD22 ASN 104 2HD2 ASN 104 -15.651 23.318 42.279 823 H ASN 105 H ASN 105 -17.905 26.042 39.435 824 HA ASN 105 HA ASN 105 -19.094 27.861 38.765 825 HB2 ASN 105 2HB ASN 105 -16.687 28.814 38.982 826 HB3 ASN 105 1HB ASN 105 -16.698 28.818 37.222 827 HD21 ASN 105 1HD2 ASN 105 -17.343 30.621 36.315 828 HD22 ASN 105 2HD2 ASN 105 -18.386 31.805 37.020 829 H GLU 106 H GLU 106 -19.075 25.471 37.111 830 HA GLU 106 HA GLU 106 -20.236 26.641 34.726 831 HB2 GLU 106 2HB GLU 106 -17.811 26.259 34.199 832 HB3 GLU 106 1HB GLU 106 -18.080 24.542 34.465 833 HG2 GLU 106 2HG GLU 106 -19.871 24.695 32.679 834 HG3 GLU 106 1HG GLU 106 -19.215 26.288 32.306 Start of MODEL 6 1 H1 GLY 1 1HT GLY 1 0.591 -21.131 4.820 2 H2 GLY 1 2HT GLY 1 1.836 -20.630 3.790 3 H3 GLY 1 3HT GLY 1 2.042 -22.000 4.760 4 HA2 GLY 1 1HA GLY 1 1.567 -22.476 2.367 5 HA3 GLY 1 2HA GLY 1 0.510 -23.264 3.529 6 HA PRO 2 HA PRO 2 -1.639 -20.382 0.197 7 HB2 PRO 2 2HB PRO 2 -2.408 -23.066 -0.846 8 HB3 PRO 2 1HB PRO 2 -2.053 -21.575 -1.728 9 HG2 PRO 2 2HG PRO 2 -0.279 -23.557 -1.650 10 HG3 PRO 2 1HG PRO 2 0.243 -21.864 -1.557 11 HD2 PRO 2 2HD PRO 2 0.049 -23.911 0.605 12 HD3 PRO 2 1HD PRO 2 1.236 -22.609 0.384 13 H GLY 3 H GLY 3 -3.095 -19.751 1.756 14 HA2 GLY 3 2HA GLY 3 -5.645 -20.847 1.775 15 HA3 GLY 3 1HA GLY 3 -4.803 -21.538 3.154 16 H SER 4 H SER 4 -5.416 -18.382 1.620 17 HA SER 4 HA SER 4 -4.975 -16.912 4.016 18 HB2 SER 4 2HB SER 4 -5.550 -16.332 1.255 19 HB3 SER 4 1HB SER 4 -6.607 -15.375 2.295 20 HG SER 4 HG SER 4 -4.910 -14.141 2.456 21 H LEU 5 H LEU 5 -6.437 -15.993 5.435 22 HA LEU 5 HA LEU 5 -8.314 -15.858 6.711 23 HB2 LEU 5 2HB LEU 5 -9.097 -15.182 4.222 24 HB3 LEU 5 1HB LEU 5 -10.127 -16.577 4.485 25 HG LEU 5 HG LEU 5 -9.997 -14.231 6.376 26 HD11 LEU 5 1HD1 LEU 5 -10.919 -14.014 3.859 27 HD12 LEU 5 2HD1 LEU 5 -11.601 -13.137 5.230 28 HD13 LEU 5 3HD1 LEU 5 -12.364 -14.624 4.664 29 HD21 LEU 5 3HD2 LEU 5 -11.874 -15.159 7.424 30 HD22 LEU 5 1HD2 LEU 5 -10.796 -16.528 7.155 31 HD23 LEU 5 2HD2 LEU 5 -12.178 -16.272 6.090 32 H SER 6 H SER 6 -8.430 -17.473 8.135 33 HA SER 6 HA SER 6 -8.943 -20.193 7.265 34 HB2 SER 6 2HB SER 6 -7.337 -19.330 9.186 35 HB3 SER 6 1HB SER 6 -8.808 -19.438 10.155 36 HG SER 6 HG SER 6 -7.216 -21.426 9.160 37 H ASN 7 H ASN 7 -10.965 -20.814 6.909 38 HA ASN 7 HA ASN 7 -13.206 -21.126 7.129 39 HB2 ASN 7 2HB ASN 7 -12.192 -20.884 9.867 40 HB3 ASN 7 1HB ASN 7 -13.898 -20.478 9.716 41 HD21 ASN 7 1HD2 ASN 7 -12.710 -22.724 11.069 42 HD22 ASN 7 2HD2 ASN 7 -13.343 -24.146 10.322 43 H PHE 8 H PHE 8 -15.306 -19.992 7.777 44 HA PHE 8 HA PHE 8 -14.978 -17.123 7.232 45 HB2 PHE 8 2HB PHE 8 -17.016 -19.149 6.468 46 HB3 PHE 8 1HB PHE 8 -17.584 -17.506 6.744 47 HD1 PHE 8 1HD PHE 8 -15.403 -19.623 4.679 48 HD2 PHE 8 2HD PHE 8 -17.072 -15.747 5.221 49 HE1 PHE 8 1HE PHE 8 -14.681 -19.000 2.412 50 HE2 PHE 8 2HE PHE 8 -16.355 -15.117 2.953 51 HZ PHE 8 HZ PHE 8 -15.158 -16.745 1.545 52 H ALA 9 H ALA 9 -16.381 -15.610 8.295 53 HA ALA 9 HA ALA 9 -18.065 -16.326 10.454 54 HB1 ALA 9 1HB ALA 9 -16.791 -15.968 12.335 55 HB2 ALA 9 2HB ALA 9 -15.596 -14.998 11.473 56 HB3 ALA 9 3HB ALA 9 -15.619 -16.750 11.276 57 H ASN 10 H ASN 10 -18.126 -14.602 8.181 58 HA ASN 10 HA ASN 10 -17.693 -11.900 8.810 59 HB2 ASN 10 2HB ASN 10 -18.293 -13.089 6.539 60 HB3 ASN 10 1HB ASN 10 -19.946 -12.715 7.013 61 HD21 ASN 10 1HD2 ASN 10 -20.355 -11.210 5.473 62 HD22 ASN 10 2HD2 ASN 10 -19.552 -9.684 5.384 63 H VAL 11 H VAL 11 -20.858 -13.535 8.599 64 HA VAL 11 HA VAL 11 -21.761 -11.874 10.858 65 HB VAL 11 HB VAL 11 -22.724 -11.020 8.766 66 HG11 VAL 11 1HG1 VAL 11 -22.682 -13.397 7.726 67 HG12 VAL 11 2HG1 VAL 11 -23.964 -12.274 7.272 68 HG13 VAL 11 3HG1 VAL 11 -24.284 -13.550 8.447 69 HG21 VAL 11 3HG2 VAL 11 -24.720 -12.413 10.546 70 HG22 VAL 11 1HG2 VAL 11 -25.087 -11.093 9.437 71 HG23 VAL 11 2HG2 VAL 11 -24.019 -10.818 10.812 72 H GLY 12 H GLY 12 -23.167 -12.824 12.324 73 HA2 GLY 12 2HA GLY 12 -24.709 -14.649 12.862 74 HA3 GLY 12 1HA GLY 12 -23.660 -15.712 11.938 75 H VAL 13 H VAL 13 -21.379 -15.891 12.784 76 HA VAL 13 HA VAL 13 -21.412 -15.870 15.734 77 HB VAL 13 HB VAL 13 -19.912 -17.841 14.009 78 HG11 VAL 13 1HG1 VAL 13 -19.818 -19.102 16.180 79 HG12 VAL 13 2HG1 VAL 13 -20.437 -17.650 16.968 80 HG13 VAL 13 3HG1 VAL 13 -18.881 -17.607 16.139 81 HG21 VAL 13 3HG2 VAL 13 -21.610 -19.455 14.445 82 HG22 VAL 13 1HG2 VAL 13 -22.408 -18.017 13.804 83 HG23 VAL 13 2HG2 VAL 13 -22.458 -18.358 15.535 84 H GLY 14 H GLY 14 -19.300 -15.683 16.771 85 HA2 GLY 14 2HA GLY 14 -17.266 -14.664 17.075 86 HA3 GLY 14 1HA GLY 14 -16.952 -14.988 15.376 87 H THR 15 H THR 15 -17.874 -12.637 17.714 88 HA THR 15 HA THR 15 -17.766 -10.575 15.628 89 HB THR 15 HB THR 15 -19.732 -10.553 17.922 90 HG1 THR 15 1HG THR 15 -20.098 -11.146 15.176 91 HG21 THR 15 3HG2 THR 15 -18.920 -8.343 16.895 92 HG22 THR 15 1HG2 THR 15 -20.654 -8.620 17.054 93 HG23 THR 15 2HG2 THR 15 -19.868 -8.827 15.489 94 H SER 16 H SER 16 -17.649 -11.253 19.111 95 HA SER 16 HA SER 16 -16.019 -8.853 19.510 96 HB2 SER 16 2HB SER 16 -16.900 -10.672 21.731 97 HB3 SER 16 1HB SER 16 -16.589 -8.937 21.771 98 HG SER 16 HG SER 16 -18.810 -9.325 21.819 99 H SER 17 H SER 17 -14.067 -8.985 20.798 100 HA SER 17 HA SER 17 -12.039 -9.841 21.381 101 HB2 SER 17 2HB SER 17 -13.616 -11.716 22.323 102 HB3 SER 17 1HB SER 17 -12.985 -12.657 20.973 103 HG SER 17 HG SER 17 -11.456 -11.396 23.004 104 H GLY 18 H GLY 18 -13.332 -12.166 18.993 105 HA2 GLY 18 2HA GLY 18 -10.857 -12.382 17.613 106 HA3 GLY 18 1HA GLY 18 -12.410 -12.974 17.049 107 H LYS 19 H LYS 19 -10.714 -9.874 17.530 108 HA LYS 19 HA LYS 19 -10.735 -9.081 14.874 109 HB2 LYS 19 2HB LYS 19 -12.562 -7.283 15.065 110 HB3 LYS 19 1HB LYS 19 -13.069 -8.940 14.774 111 HG2 LYS 19 2HG LYS 19 -14.543 -8.327 16.399 112 HG3 LYS 19 1HG LYS 19 -13.256 -9.019 17.386 113 HD2 LYS 19 2HD LYS 19 -14.013 -6.906 18.324 114 HD3 LYS 19 1HD LYS 19 -12.348 -6.769 17.759 115 HE2 LYS 19 2HE LYS 19 -13.934 -4.851 17.200 116 HE3 LYS 19 1HE LYS 19 -12.971 -5.512 15.878 117 HZ1 LYS 19 3HZ LYS 19 -15.645 -6.620 16.349 118 HZ2 LYS 19 1HZ LYS 19 -14.788 -6.449 14.899 119 HZ3 LYS 19 2HZ LYS 19 -15.526 -5.104 15.610 120 H GLN 20 H GLN 20 -9.034 -8.923 17.104 121 HA GLN 20 HA GLN 20 -8.788 -6.002 17.419 122 HB2 GLN 20 2HB GLN 20 -8.602 -8.189 19.402 123 HB3 GLN 20 1HB GLN 20 -7.372 -6.940 19.529 124 HG2 GLN 20 2HG GLN 20 -10.160 -6.020 19.237 125 HG3 GLN 20 1HG GLN 20 -9.736 -6.804 20.758 126 HE21 GLN 20 1HE2 GLN 20 -9.941 -3.913 19.244 127 HE22 GLN 20 2HE2 GLN 20 -8.813 -3.002 20.185 128 H LYS 21 H LYS 21 -7.422 -5.770 15.647 129 HA LYS 21 HA LYS 21 -5.444 -5.691 14.527 130 HB2 LYS 21 2HB LYS 21 -4.838 -5.232 17.127 131 HB3 LYS 21 1HB LYS 21 -3.841 -6.646 16.820 132 HG2 LYS 21 2HG LYS 21 -3.578 -4.761 14.669 133 HG3 LYS 21 1HG LYS 21 -3.260 -3.979 16.219 134 HD2 LYS 21 2HD LYS 21 -2.008 -6.606 15.455 135 HD3 LYS 21 1HD LYS 21 -1.276 -5.054 15.035 136 HE2 LYS 21 2HE LYS 21 -2.042 -5.791 17.850 137 HE3 LYS 21 1HE LYS 21 -0.456 -6.148 17.168 138 HZ1 LYS 21 3HZ LYS 21 -1.497 -3.404 17.021 139 HZ2 LYS 21 1HZ LYS 21 0.106 -3.942 17.080 140 HZ3 LYS 21 2HZ LYS 21 -0.845 -3.960 18.479 141 H ARG 22 H ARG 22 -5.924 -7.443 13.166 142 HA ARG 22 HA ARG 22 -4.061 -9.579 13.264 143 HB2 ARG 22 2HB ARG 22 -6.212 -10.095 14.845 144 HB3 ARG 22 1HB ARG 22 -6.766 -10.755 13.313 145 HG2 ARG 22 2HG ARG 22 -4.270 -11.791 13.433 146 HG3 ARG 22 1HG ARG 22 -4.685 -11.714 15.147 147 HD2 ARG 22 2HD ARG 22 -6.636 -12.846 13.184 148 HD3 ARG 22 1HD ARG 22 -5.287 -13.831 13.750 149 HE ARG 22 HE ARG 22 -6.786 -12.593 15.869 150 HH11 ARG 22 1HH1 ARG 22 -6.573 -15.362 13.753 151 HH12 ARG 22 2HH1 ARG 22 -7.466 -16.398 14.814 152 HH21 ARG 22 1HH2 ARG 22 -7.960 -13.955 17.265 153 HH22 ARG 22 2HH2 ARG 22 -8.252 -15.600 16.810 154 H TYR 23 H TYR 23 -4.457 -11.167 11.452 155 HA TYR 23 HA TYR 23 -4.763 -11.569 9.235 156 HB2 TYR 23 2HB TYR 23 -7.236 -9.892 9.703 157 HB3 TYR 23 1HB TYR 23 -6.913 -10.790 8.223 158 HD1 TYR 23 2HD TYR 23 -6.222 -13.370 8.760 159 HD2 TYR 23 1HD TYR 23 -8.691 -10.887 11.175 160 HE1 TYR 23 2HE TYR 23 -7.260 -15.370 9.745 161 HE2 TYR 23 1HE TYR 23 -9.736 -12.880 12.169 162 HH TYR 23 HH TYR 23 -8.461 -16.002 11.794 163 H LYS 24 H LYS 24 -3.295 -10.702 7.931 164 HA LYS 24 HA LYS 24 -2.784 -7.903 7.786 165 HB2 LYS 24 2HB LYS 24 -1.226 -8.540 5.944 166 HB3 LYS 24 1HB LYS 24 -0.968 -9.443 7.430 167 HG2 LYS 24 2HG LYS 24 -1.573 -11.410 6.504 168 HG3 LYS 24 1HG LYS 24 -2.787 -10.670 5.460 169 HD2 LYS 24 2HD LYS 24 -0.474 -9.645 4.438 170 HD3 LYS 24 1HD LYS 24 0.043 -11.253 4.950 171 HE2 LYS 24 2HE LYS 24 -0.686 -11.463 2.707 172 HE3 LYS 24 1HE LYS 24 -1.952 -12.166 3.714 173 HZ1 LYS 24 3HZ LYS 24 -2.240 -9.341 3.092 174 HZ2 LYS 24 1HZ LYS 24 -3.409 -10.563 3.154 175 HZ3 LYS 24 2HZ LYS 24 -2.424 -10.401 1.788 176 H PHE 25 H PHE 25 -5.185 -7.541 7.303 177 HA PHE 25 HA PHE 25 -6.266 -8.067 4.777 178 HB2 PHE 25 2HB PHE 25 -6.931 -6.389 7.068 179 HB3 PHE 25 1HB PHE 25 -7.448 -5.700 5.534 180 HD1 PHE 25 1HD PHE 25 -8.353 -7.831 3.934 181 HD2 PHE 25 2HD PHE 25 -8.661 -7.407 8.156 182 HE1 PHE 25 1HE PHE 25 -10.317 -9.312 3.935 183 HE2 PHE 25 2HE PHE 25 -10.626 -8.888 8.167 184 HZ PHE 25 HZ PHE 25 -11.455 -9.845 6.054 185 H SER 26 H SER 26 -6.632 -6.642 2.989 186 HA SER 26 HA SER 26 -4.274 -5.204 2.233 187 HB2 SER 26 2HB SER 26 -6.862 -5.923 0.948 188 HB3 SER 26 1HB SER 26 -6.022 -4.511 0.306 189 HG SER 26 HG SER 26 -4.562 -5.773 -0.533 190 H ALA 27 H ALA 27 -4.970 -4.062 4.477 191 HA ALA 27 HA ALA 27 -5.090 -1.373 4.074 192 HB1 ALA 27 1HB ALA 27 -7.193 -0.928 3.480 193 HB2 ALA 27 2HB ALA 27 -7.666 -1.392 5.114 194 HB3 ALA 27 3HB ALA 27 -7.708 -2.582 3.813 195 H SER 28 H SER 28 -5.837 -4.151 6.069 196 HA SER 28 HA SER 28 -6.206 -2.993 8.558 197 HB2 SER 28 2HB SER 28 -6.463 -5.286 8.615 198 HB3 SER 28 1HB SER 28 -5.030 -5.580 7.632 199 HG SER 28 HG SER 28 -3.946 -5.807 9.404 200 H GLU 29 H GLU 29 -3.297 -3.260 6.668 201 HA GLU 29 HA GLU 29 -1.408 -2.790 8.711 202 HB2 GLU 29 2HB GLU 29 -0.872 -3.636 6.429 203 HB3 GLU 29 1HB GLU 29 -1.205 -2.033 5.792 204 HG2 GLU 29 2HG GLU 29 0.608 -1.541 7.800 205 HG3 GLU 29 1HG GLU 29 1.168 -3.064 7.111 206 H ASP 30 H ASP 30 -2.962 -0.569 6.402 207 HA ASP 30 HA ASP 30 -1.766 1.792 7.262 208 HB2 ASP 30 2HB ASP 30 -3.655 1.117 5.371 209 HB3 ASP 30 1HB ASP 30 -4.577 2.110 6.496 210 H GLU 31 H GLU 31 -4.369 -0.062 8.650 211 HA GLU 31 HA GLU 31 -5.400 1.949 10.358 212 HB2 GLU 31 2HB GLU 31 -5.465 -1.062 10.626 213 HB3 GLU 31 1HB GLU 31 -6.409 0.053 11.604 214 HG2 GLU 31 2HG GLU 31 -6.606 -0.076 8.611 215 HG3 GLU 31 1HG GLU 31 -7.617 -1.035 9.690 216 H ALA 32 H ALA 32 -2.823 -0.414 10.655 217 HA ALA 32 HA ALA 32 -2.346 0.019 13.428 218 HB1 ALA 32 1HB ALA 32 -1.557 -1.881 11.672 219 HB2 ALA 32 2HB ALA 32 -0.801 -1.610 13.244 220 HB3 ALA 32 3HB ALA 32 -0.088 -0.912 11.788 221 H ILE 33 H ILE 33 -1.131 1.449 10.459 222 HA ILE 33 HA ILE 33 0.980 2.909 11.703 223 HB ILE 33 HB ILE 33 -0.333 3.808 9.162 224 HG12 ILE 33 2HG1 ILE 33 1.607 1.507 9.479 225 HG13 ILE 33 1HG1 ILE 33 -0.054 1.408 8.904 226 HG21 ILE 33 1HG2 ILE 33 2.587 3.740 9.846 227 HG22 ILE 33 2HG2 ILE 33 1.538 5.060 10.363 228 HG23 ILE 33 3HG2 ILE 33 1.756 4.727 8.644 229 HD11 ILE 33 3HD1 ILE 33 1.930 3.107 7.464 230 HD12 ILE 33 1HD1 ILE 33 0.458 2.345 6.861 231 HD13 ILE 33 2HD1 ILE 33 1.883 1.364 7.204 232 H ILE 34 H ILE 34 -2.357 3.662 10.826 233 HA ILE 34 HA ILE 34 -2.235 6.400 11.499 234 HB ILE 34 HB ILE 34 -4.709 6.304 11.619 235 HG12 ILE 34 2HG1 ILE 34 -4.340 3.370 10.999 236 HG13 ILE 34 1HG1 ILE 34 -4.836 4.003 12.565 237 HG21 ILE 34 1HG2 ILE 34 -4.023 6.774 9.483 238 HG22 ILE 34 2HG2 ILE 34 -4.936 5.289 9.211 239 HG23 ILE 34 3HG2 ILE 34 -3.175 5.238 9.299 240 HD11 ILE 34 3HD1 ILE 34 -6.349 4.301 9.982 241 HD12 ILE 34 1HD1 ILE 34 -6.849 4.931 11.550 242 HD13 ILE 34 2HD1 ILE 34 -6.737 3.190 11.295 243 H LYS 35 H LYS 35 -2.940 3.498 13.358 244 HA LYS 35 HA LYS 35 -3.782 4.907 15.703 245 HB2 LYS 35 2HB LYS 35 -3.865 2.271 14.848 246 HB3 LYS 35 1HB LYS 35 -2.700 2.233 16.163 247 HG2 LYS 35 2HG LYS 35 -4.572 1.901 17.378 248 HG3 LYS 35 1HG LYS 35 -4.607 3.664 17.351 249 HD2 LYS 35 2HD LYS 35 -6.416 3.735 16.003 250 HD3 LYS 35 1HD LYS 35 -5.895 2.341 15.058 251 HE2 LYS 35 2HE LYS 35 -6.505 1.404 17.653 252 HE3 LYS 35 1HE LYS 35 -7.821 2.470 17.166 253 HZ1 LYS 35 3HZ LYS 35 -8.307 1.156 15.330 254 HZ2 LYS 35 1HZ LYS 35 -7.969 0.019 16.536 255 HZ3 LYS 35 2HZ LYS 35 -6.811 0.368 15.355 256 H GLY 36 H GLY 36 -0.756 3.607 14.496 257 HA2 GLY 36 2HA GLY 36 0.760 3.878 16.862 258 HA3 GLY 36 1HA GLY 36 1.406 3.814 15.230 259 H LEU 37 H LEU 37 0.485 6.036 14.042 260 HA LEU 37 HA LEU 37 2.104 8.073 15.196 261 HB2 LEU 37 2HB LEU 37 0.387 7.804 12.785 262 HB3 LEU 37 1HB LEU 37 0.756 9.429 13.330 263 HG LEU 37 HG LEU 37 3.237 8.286 13.346 264 HD11 LEU 37 1HD1 LEU 37 2.008 7.289 10.806 265 HD12 LEU 37 2HD1 LEU 37 2.062 6.274 12.245 266 HD13 LEU 37 3HD1 LEU 37 3.559 6.875 11.534 267 HD21 LEU 37 3HD2 LEU 37 3.661 9.592 11.371 268 HD22 LEU 37 1HD2 LEU 37 2.541 10.473 12.411 269 HD23 LEU 37 2HD2 LEU 37 1.942 9.633 10.981 270 H ALA 38 H ALA 38 -1.315 7.355 15.205 271 HA ALA 38 HA ALA 38 -2.279 9.851 16.063 272 HB1 ALA 38 1HB ALA 38 -3.357 7.062 16.382 273 HB2 ALA 38 2HB ALA 38 -3.846 8.294 15.220 274 HB3 ALA 38 3HB ALA 38 -4.227 8.495 16.931 275 H ARG 39 H ARG 39 -0.653 7.290 17.750 276 HA ARG 39 HA ARG 39 -1.333 8.465 20.340 277 HB2 ARG 39 2HB ARG 39 -1.292 5.887 19.681 278 HB3 ARG 39 1HB ARG 39 0.400 6.056 20.133 279 HG2 ARG 39 2HG ARG 39 -0.257 6.867 22.335 280 HG3 ARG 39 1HG ARG 39 -1.958 6.729 21.883 281 HD2 ARG 39 2HD ARG 39 -1.817 4.367 21.731 282 HD3 ARG 39 1HD ARG 39 -0.055 4.399 21.825 283 HE ARG 39 HE ARG 39 -0.811 5.517 24.165 284 HH11 ARG 39 1HH1 ARG 39 -1.696 2.550 22.555 285 HH12 ARG 39 2HH1 ARG 39 -1.999 1.695 24.030 286 HH21 ARG 39 1HH2 ARG 39 -1.208 4.394 26.104 287 HH22 ARG 39 2HH2 ARG 39 -1.723 2.742 26.045 288 H PHE 40 H PHE 40 1.479 7.664 18.349 289 HA PHE 40 HA PHE 40 2.987 9.721 19.773 290 HB2 PHE 40 2HB PHE 40 4.983 8.183 19.878 291 HB3 PHE 40 1HB PHE 40 3.668 7.778 20.976 292 HD1 PHE 40 1HD PHE 40 2.311 5.797 20.613 293 HD2 PHE 40 2HD PHE 40 5.549 6.755 18.025 294 HE1 PHE 40 1HE PHE 40 2.262 3.509 19.710 295 HE2 PHE 40 2HE PHE 40 5.506 4.472 17.117 296 HZ PHE 40 HZ PHE 40 3.860 2.844 17.958 297 H THR 41 H THR 41 4.130 10.965 18.451 298 HA THR 41 HA THR 41 5.610 10.184 16.238 299 HB THR 41 HB THR 41 3.497 9.606 15.168 300 HG1 THR 41 1HG THR 41 4.528 12.029 14.120 301 HG21 THR 41 3HG2 THR 41 2.673 12.481 15.375 302 HG22 THR 41 1HG2 THR 41 2.087 11.225 16.468 303 HG23 THR 41 2HG2 THR 41 1.748 11.120 14.740 304 H LYS 42 H LYS 42 6.328 11.819 18.131 305 HA LYS 42 HA LYS 42 5.915 14.566 17.179 306 HB2 LYS 42 2HB LYS 42 7.257 13.749 19.752 307 HB3 LYS 42 1HB LYS 42 6.602 15.323 19.327 308 HG2 LYS 42 2HG LYS 42 4.631 13.169 19.250 309 HG3 LYS 42 1HG LYS 42 5.342 13.438 20.842 310 HD2 LYS 42 2HD LYS 42 4.497 15.572 21.007 311 HD3 LYS 42 1HD LYS 42 4.422 15.790 19.258 312 HE2 LYS 42 2HE LYS 42 2.668 13.749 19.611 313 HE3 LYS 42 1HE LYS 42 2.450 14.646 21.113 314 HZ1 LYS 42 3HZ LYS 42 1.820 15.422 18.373 315 HZ2 LYS 42 1HZ LYS 42 2.381 16.645 19.401 316 HZ3 LYS 42 2HZ LYS 42 0.996 15.764 19.811 317 H GLY 43 H GLY 43 7.490 13.180 15.496 318 HA2 GLY 43 2HA GLY 43 10.131 14.370 16.015 319 HA3 GLY 43 1HA GLY 43 10.026 12.687 15.525 320 H GLN 44 H GLN 44 7.611 14.588 14.101 321 HA GLN 44 HA GLN 44 7.211 15.177 11.941 322 HB2 GLN 44 2HB GLN 44 9.495 16.573 12.835 323 HB3 GLN 44 1HB GLN 44 9.835 16.077 11.182 324 HG2 GLN 44 2HG GLN 44 7.312 17.016 10.922 325 HG3 GLN 44 1HG GLN 44 7.927 18.051 12.211 326 HE21 GLN 44 1HE2 GLN 44 9.095 16.693 9.142 327 HE22 GLN 44 2HE2 GLN 44 9.780 18.166 8.555 328 H GLN 45 H GLN 45 8.378 12.473 12.514 329 HA GLN 45 HA GLN 45 8.496 11.504 9.895 330 HB2 GLN 45 2HB GLN 45 10.770 12.736 10.165 331 HB3 GLN 45 1HB GLN 45 11.217 11.356 11.158 332 HG2 GLN 45 2HG GLN 45 10.036 10.643 8.580 333 HG3 GLN 45 1HG GLN 45 11.554 11.532 8.466 334 HE21 GLN 45 1HE2 GLN 45 11.570 9.061 7.512 335 HE22 GLN 45 2HE2 GLN 45 12.410 7.978 8.564 336 H ARG 46 H ARG 46 7.236 10.859 12.338 337 HA ARG 46 HA ARG 46 8.490 8.609 13.560 338 HB2 ARG 46 2HB ARG 46 6.763 10.096 14.638 339 HB3 ARG 46 1HB ARG 46 5.558 9.308 13.629 340 HG2 ARG 46 2HG ARG 46 5.510 8.275 15.771 341 HG3 ARG 46 1HG ARG 46 6.233 7.133 14.639 342 HD2 ARG 46 2HD ARG 46 7.742 6.943 16.326 343 HD3 ARG 46 1HD ARG 46 8.462 8.313 15.482 344 HE ARG 46 HE ARG 46 6.569 9.038 17.530 345 HH11 ARG 46 1HH1 ARG 46 9.911 8.321 16.820 346 HH12 ARG 46 2HH1 ARG 46 10.518 9.194 18.186 347 HH21 ARG 46 1HH2 ARG 46 7.366 10.185 19.327 348 HH22 ARG 46 2HH2 ARG 46 9.073 10.249 19.612 349 H PHE 47 H PHE 47 6.531 9.025 10.749 350 HA PHE 47 HA PHE 47 5.181 6.684 10.439 351 HB2 PHE 47 2HB PHE 47 6.772 7.566 8.077 352 HB3 PHE 47 1HB PHE 47 5.077 7.112 8.178 353 HD1 PHE 47 2HD PHE 47 3.434 8.747 9.124 354 HD2 PHE 47 1HD PHE 47 7.456 9.806 8.227 355 HE1 PHE 47 2HE PHE 47 2.808 11.127 9.143 356 HE2 PHE 47 1HE PHE 47 6.839 12.188 8.247 357 HZ PHE 47 HZ PHE 47 4.512 12.850 8.704 358 H GLN 48 H GLN 48 8.655 7.143 9.896 359 HA GLN 48 HA GLN 48 9.104 4.496 8.961 360 HB2 GLN 48 2HB GLN 48 10.607 6.476 8.555 361 HB3 GLN 48 1HB GLN 48 11.129 6.343 10.230 362 HG2 GLN 48 2HG GLN 48 11.737 3.921 9.630 363 HG3 GLN 48 1HG GLN 48 11.605 4.458 7.956 364 HE21 GLN 48 1HE2 GLN 48 13.057 5.544 11.009 365 HE22 GLN 48 2HE2 GLN 48 14.564 6.029 10.319 366 H GLN 49 H GLN 49 9.766 6.059 12.099 367 HA GLN 49 HA GLN 49 10.751 3.814 13.424 368 HB2 GLN 49 2HB GLN 49 9.361 6.299 14.386 369 HB3 GLN 49 1HB GLN 49 9.856 5.044 15.513 370 HG2 GLN 49 2HG GLN 49 12.071 5.585 13.855 371 HG3 GLN 49 1HG GLN 49 11.401 7.136 14.357 372 HE21 GLN 49 1HE2 GLN 49 12.985 7.710 15.761 373 HE22 GLN 49 2HE2 GLN 49 13.331 6.861 17.225 374 H ILE 50 H ILE 50 7.429 5.074 13.345 375 HA ILE 50 HA ILE 50 6.252 3.121 14.947 376 HB ILE 50 HB ILE 50 5.287 5.347 13.945 377 HG12 ILE 50 2HG1 ILE 50 4.079 4.176 15.616 378 HG13 ILE 50 1HG1 ILE 50 2.950 4.434 14.291 379 HG21 ILE 50 1HG2 ILE 50 3.714 4.987 12.110 380 HG22 ILE 50 2HG2 ILE 50 4.292 3.331 11.937 381 HG23 ILE 50 3HG2 ILE 50 5.375 4.683 11.612 382 HD11 ILE 50 3HD1 ILE 50 2.560 2.248 14.947 383 HD12 ILE 50 1HD1 ILE 50 4.275 1.906 15.171 384 HD13 ILE 50 2HD1 ILE 50 3.615 2.073 13.545 385 H TYR 51 H TYR 51 6.908 3.192 11.486 386 HA TYR 51 HA TYR 51 5.505 0.938 10.684 387 HB2 TYR 51 2HB TYR 51 6.510 2.375 9.040 388 HB3 TYR 51 1HB TYR 51 8.119 2.062 9.675 389 HD1 TYR 51 2HD TYR 51 5.232 0.012 8.453 390 HD2 TYR 51 1HD TYR 51 9.425 0.716 8.349 391 HE1 TYR 51 2HE TYR 51 5.497 -1.841 6.859 392 HE2 TYR 51 1HE TYR 51 9.702 -1.134 6.753 393 HH TYR 51 HH TYR 51 7.304 -3.411 6.142 394 H TYR 52 H TYR 52 8.831 1.179 11.867 395 HA TYR 52 HA TYR 52 9.347 -1.611 11.775 396 HB2 TYR 52 2HB TYR 52 10.688 0.746 13.050 397 HB3 TYR 52 1HB TYR 52 11.198 -0.881 13.486 398 HD1 TYR 52 1HD TYR 52 10.640 1.298 10.510 399 HD2 TYR 52 2HD TYR 52 12.788 -1.971 12.187 400 HE1 TYR 52 1HE TYR 52 12.069 1.221 8.513 401 HE2 TYR 52 2HE TYR 52 14.223 -2.056 10.192 402 HH TYR 52 HH TYR 52 14.222 -1.384 7.891 403 H ALA 53 H ALA 53 7.840 0.477 14.112 404 HA ALA 53 HA ALA 53 8.096 -1.261 16.349 405 HB1 ALA 53 1HB ALA 53 6.159 0.179 17.229 406 HB2 ALA 53 2HB ALA 53 6.382 1.121 15.756 407 HB3 ALA 53 3HB ALA 53 7.705 0.963 16.911 408 H TYR 54 H TYR 54 5.378 -0.550 14.175 409 HA TYR 54 HA TYR 54 3.790 -2.670 15.291 410 HB2 TYR 54 2HB TYR 54 2.039 -1.826 14.085 411 HB3 TYR 54 1HB TYR 54 3.065 -0.399 14.122 412 HD1 TYR 54 2HD TYR 54 2.009 -3.261 12.018 413 HD2 TYR 54 1HD TYR 54 3.889 0.554 12.118 414 HE1 TYR 54 2HE TYR 54 1.959 -3.179 9.562 415 HE2 TYR 54 1HE TYR 54 3.837 0.648 9.662 416 HH TYR 54 HH TYR 54 2.304 -0.488 7.804 417 H ARG 55 H ARG 55 6.404 -2.773 13.314 418 HA ARG 55 HA ARG 55 5.747 -4.386 11.169 419 HB2 ARG 55 2HB ARG 55 8.095 -3.477 12.375 420 HB3 ARG 55 1HB ARG 55 8.241 -5.229 12.389 421 HG2 ARG 55 2HG ARG 55 7.435 -4.903 9.869 422 HG3 ARG 55 1HG ARG 55 8.216 -3.342 10.117 423 HD2 ARG 55 2HD ARG 55 9.414 -6.089 10.298 424 HD3 ARG 55 1HD ARG 55 9.901 -4.743 9.269 425 HE ARG 55 HE ARG 55 10.300 -3.776 11.758 426 HH11 ARG 55 1HH1 ARG 55 11.308 -6.709 10.159 427 HH12 ARG 55 2HH1 ARG 55 12.769 -6.856 11.075 428 HH21 ARG 55 1HH2 ARG 55 12.222 -3.968 12.965 429 HH22 ARG 55 2HH2 ARG 55 13.289 -5.301 12.668 430 H SER 56 H SER 56 4.201 -5.913 11.621 431 HA SER 56 HA SER 56 5.057 -8.454 12.432 432 HB2 SER 56 2HB SER 56 3.672 -8.681 14.515 433 HB3 SER 56 1HB SER 56 5.070 -7.621 14.697 434 HG SER 56 HG SER 56 2.343 -6.932 14.465 435 H VAL 57 H VAL 57 2.316 -6.240 12.196 436 HA VAL 57 HA VAL 57 0.338 -8.199 11.710 437 HB VAL 57 HB VAL 57 -1.016 -6.339 10.794 438 HG11 VAL 57 1HG1 VAL 57 -0.938 -6.756 13.204 439 HG12 VAL 57 2HG1 VAL 57 -1.144 -5.041 12.849 440 HG13 VAL 57 3HG1 VAL 57 0.432 -5.655 13.349 441 HG21 VAL 57 3HG2 VAL 57 0.291 -4.033 11.288 442 HG22 VAL 57 1HG2 VAL 57 0.213 -4.796 9.699 443 HG23 VAL 57 2HG2 VAL 57 1.627 -5.038 10.725 444 H TRP 58 H TRP 58 2.671 -6.610 9.667 445 HA TRP 58 HA TRP 58 1.538 -7.982 7.320 446 HB2 TRP 58 2HB TRP 58 1.926 -5.342 7.497 447 HB3 TRP 58 1HB TRP 58 3.543 -5.807 6.980 448 HD1 TRP 58 HD TRP 58 0.576 -7.770 5.623 449 HE1 TRP 58 1HE TRP 58 0.314 -7.254 3.115 450 HE3 TRP 58 3HE TRP 58 3.954 -3.954 5.222 451 HZ2 TRP 58 2HZ TRP 58 1.396 -5.466 1.217 452 HZ3 TRP 58 3HZ TRP 58 4.282 -2.894 3.025 453 HH2 TRP 58 HH TRP 58 3.029 -3.637 1.065 454 H HIS 59 H HIS 59 2.901 -9.162 5.971 455 HA HIS 59 HA HIS 59 5.017 -10.530 7.210 456 HB2 HIS 59 2HB HIS 59 3.514 -10.837 4.889 457 HB3 HIS 59 1HB HIS 59 5.156 -10.595 4.301 458 HD1 HIS 59 1HD HIS 59 4.892 -13.153 3.516 459 HD2 HIS 59 2HD HIS 59 5.088 -12.500 7.614 460 HE1 HIS 59 1HE HIS 59 5.434 -15.390 4.527 461 HE2 HIS 59 2HE HIS 59 5.459 -14.988 7.015 462 HA PRO 60 HA PRO 60 7.869 -7.857 4.138 463 HB2 PRO 60 2HB PRO 60 6.169 -5.412 4.345 464 HB3 PRO 60 1HB PRO 60 7.169 -5.975 3.001 465 HG2 PRO 60 2HG PRO 60 4.523 -6.248 2.928 466 HG3 PRO 60 1HG PRO 60 5.586 -7.519 2.298 467 HD2 PRO 60 2HD PRO 60 4.018 -7.440 4.830 468 HD3 PRO 60 1HD PRO 60 4.417 -8.821 3.787 469 H ALA 61 H ALA 61 9.564 -6.827 5.084 470 HA ALA 61 HA ALA 61 9.074 -5.380 7.598 471 HB1 ALA 61 1HB ALA 61 11.434 -6.485 8.183 472 HB2 ALA 61 2HB ALA 61 10.783 -7.752 7.145 473 HB3 ALA 61 3HB ALA 61 9.895 -7.250 8.584 474 H ARG 62 H ARG 62 9.511 -4.329 4.961 475 HA ARG 62 HA ARG 62 11.417 -2.354 5.509 476 HB2 ARG 62 2HB ARG 62 13.164 -2.929 3.866 477 HB3 ARG 62 1HB ARG 62 13.076 -4.099 5.175 478 HG2 ARG 62 2HG ARG 62 11.364 -4.972 3.079 479 HG3 ARG 62 1HG ARG 62 12.933 -4.553 2.388 480 HD2 ARG 62 2HD ARG 62 13.884 -5.924 4.377 481 HD3 ARG 62 1HD ARG 62 12.260 -6.606 4.460 482 HE ARG 62 HE ARG 62 14.268 -7.187 2.517 483 HH11 ARG 62 1HH1 ARG 62 10.820 -6.970 3.011 484 HH12 ARG 62 2HH1 ARG 62 10.443 -8.093 1.747 485 HH21 ARG 62 1HH2 ARG 62 13.775 -8.661 0.854 486 HH22 ARG 62 2HH2 ARG 62 12.120 -9.051 0.521 487 H THR 63 H THR 63 9.730 -1.062 4.767 488 HA THR 63 HA THR 63 9.734 -0.540 1.958 489 HB THR 63 HB THR 63 6.952 -1.019 2.724 490 HG1 THR 63 1HG THR 63 7.780 -2.798 3.789 491 HG21 THR 63 3HG2 THR 63 8.410 -2.303 0.454 492 HG22 THR 63 1HG2 THR 63 7.942 -0.604 0.400 493 HG23 THR 63 2HG2 THR 63 6.710 -1.853 0.577 494 H VAL 64 H VAL 64 10.467 1.104 3.959 495 HA VAL 64 HA VAL 64 8.542 2.698 5.167 496 HB VAL 64 HB VAL 64 11.234 3.591 4.121 497 HG11 VAL 64 1HG1 VAL 64 10.881 5.595 5.036 498 HG12 VAL 64 2HG1 VAL 64 10.267 4.883 6.528 499 HG13 VAL 64 3HG1 VAL 64 9.182 5.143 5.163 500 HG21 VAL 64 3HG2 VAL 64 11.987 3.161 6.443 501 HG22 VAL 64 1HG2 VAL 64 11.483 1.700 5.593 502 HG23 VAL 64 2HG2 VAL 64 10.413 2.440 6.785 503 H SER 65 H SER 65 9.851 2.820 1.902 504 HA SER 65 HA SER 65 8.752 5.274 1.101 505 HB2 SER 65 2HB SER 65 10.324 3.404 -0.112 506 HB3 SER 65 1HB SER 65 8.791 3.137 -0.941 507 HG SER 65 HG SER 65 10.517 4.971 -1.502 508 H GLN 66 H GLN 66 7.492 1.975 0.918 509 HA GLN 66 HA GLN 66 5.025 2.582 -0.273 510 HB2 GLN 66 2HB GLN 66 6.153 0.318 1.270 511 HB3 GLN 66 1HB GLN 66 4.399 0.437 1.255 512 HG2 GLN 66 2HG GLN 66 6.158 0.334 -1.186 513 HG3 GLN 66 1HG GLN 66 5.257 -1.024 -0.513 514 HE21 GLN 66 1HE2 GLN 66 4.471 -0.931 -2.816 515 HE22 GLN 66 2HE2 GLN 66 3.063 0.022 -3.121 516 H LEU 67 H LEU 67 6.152 2.668 3.042 517 HA LEU 67 HA LEU 67 3.752 2.951 4.413 518 HB2 LEU 67 2HB LEU 67 6.225 2.807 5.249 519 HB3 LEU 67 1HB LEU 67 6.157 4.558 5.173 520 HG LEU 67 HG LEU 67 5.690 3.879 7.422 521 HD11 LEU 67 1HD1 LEU 67 3.594 4.951 7.793 522 HD12 LEU 67 2HD1 LEU 67 3.058 4.598 6.149 523 HD13 LEU 67 3HD1 LEU 67 4.368 5.747 6.423 524 HD21 LEU 67 3HD2 LEU 67 4.997 1.577 6.918 525 HD22 LEU 67 1HD2 LEU 67 3.467 2.185 6.286 526 HD23 LEU 67 2HD2 LEU 67 3.862 2.388 7.995 527 H TYR 68 H TYR 68 5.832 5.445 3.020 528 HA TYR 68 HA TYR 68 4.155 7.622 3.653 529 HB2 TYR 68 2HB TYR 68 6.335 7.204 1.617 530 HB3 TYR 68 1HB TYR 68 5.419 8.708 1.670 531 HD1 TYR 68 1HD TYR 68 6.719 6.553 4.430 532 HD2 TYR 68 2HD TYR 68 6.853 10.335 2.486 533 HE1 TYR 68 1HE TYR 68 8.212 7.398 6.189 534 HE2 TYR 68 2HE TYR 68 8.348 11.190 4.240 535 HH TYR 68 HH TYR 68 8.967 10.725 6.519 536 H ASP 69 H ASP 69 4.160 5.251 1.113 537 HA ASP 69 HA ASP 69 2.506 6.591 -0.730 538 HB2 ASP 69 2HB ASP 69 3.903 4.284 -0.805 539 HB3 ASP 69 1HB ASP 69 2.277 3.648 -0.573 540 H HIS 70 H HIS 70 1.698 4.214 1.804 541 HA HIS 70 HA HIS 70 -1.115 4.465 1.280 542 HB2 HIS 70 2HB HIS 70 -0.553 3.474 3.949 543 HB3 HIS 70 1HB HIS 70 -1.371 2.680 2.611 544 HD1 HIS 70 1HD HIS 70 1.747 2.715 4.513 545 HD2 HIS 70 2HD HIS 70 0.419 1.212 0.877 546 HE1 HIS 70 1HE HIS 70 3.458 1.017 3.830 547 HE2 HIS 70 2HE HIS 70 2.543 -0.005 1.712 548 H TRP 71 H TRP 71 1.192 5.919 3.431 549 HA TRP 71 HA TRP 71 -0.723 7.219 5.095 550 HB2 TRP 71 2HB TRP 71 1.872 6.686 5.417 551 HB3 TRP 71 1HB TRP 71 2.025 8.327 4.785 552 HD1 TRP 71 HD TRP 71 1.012 6.406 7.880 553 HE1 TRP 71 1HE TRP 71 0.497 8.062 9.783 554 HE3 TRP 71 3HE TRP 71 1.079 10.762 5.206 555 HZ2 TRP 71 2HZ TRP 71 0.164 10.846 10.106 556 HZ3 TRP 71 3HZ TRP 71 0.654 12.877 6.387 557 HH2 TRP 71 HH TRP 71 0.205 12.917 8.786 558 H ARG 72 H ARG 72 0.821 7.955 2.056 559 HA ARG 72 HA ARG 72 0.175 10.749 2.085 560 HB2 ARG 72 2HB ARG 72 1.322 8.838 0.115 561 HB3 ARG 72 1HB ARG 72 0.570 10.294 -0.520 562 HG2 ARG 72 2HG ARG 72 2.482 10.651 1.705 563 HG3 ARG 72 1HG ARG 72 3.147 10.159 0.145 564 HD2 ARG 72 2HD ARG 72 1.192 12.265 -0.163 565 HD3 ARG 72 1HD ARG 72 2.471 12.741 0.953 566 HE ARG 72 HE ARG 72 3.856 11.722 -1.114 567 HH11 ARG 72 1HH1 ARG 72 1.280 14.072 -0.954 568 HH12 ARG 72 2HH1 ARG 72 1.815 14.938 -2.353 569 HH21 ARG 72 1HH2 ARG 72 4.562 12.862 -2.955 570 HH22 ARG 72 2HH2 ARG 72 3.678 14.253 -3.489 571 H GLY 73 H GLY 73 -1.238 7.834 0.694 572 HA2 GLY 73 2HA GLY 73 -3.335 9.203 -0.686 573 HA3 GLY 73 1HA GLY 73 -3.251 7.476 -0.375 574 H THR 74 H THR 74 -2.954 7.947 2.544 575 HA THR 74 HA THR 74 -5.762 8.013 3.161 576 HB THR 74 HB THR 74 -4.798 7.801 5.568 577 HG1 THR 74 1HG THR 74 -2.686 7.248 5.698 578 HG21 THR 74 3HG2 THR 74 -4.881 5.554 5.425 579 HG22 THR 74 1HG2 THR 74 -3.860 5.495 3.988 580 HG23 THR 74 2HG2 THR 74 -5.563 5.927 3.841 581 H LEU 75 H LEU 75 -2.981 10.122 3.641 582 HA LEU 75 HA LEU 75 -4.395 11.989 5.293 583 HB2 LEU 75 2HB LEU 75 -1.778 11.501 4.876 584 HB3 LEU 75 1HB LEU 75 -1.994 12.879 3.813 585 HG LEU 75 HG LEU 75 -1.194 13.525 6.052 586 HD11 LEU 75 1HD1 LEU 75 -4.006 14.498 5.601 587 HD12 LEU 75 2HD1 LEU 75 -2.624 15.018 4.634 588 HD13 LEU 75 3HD1 LEU 75 -2.671 15.361 6.364 589 HD21 LEU 75 3HD2 LEU 75 -2.811 11.605 7.024 590 HD22 LEU 75 1HD2 LEU 75 -3.820 13.027 7.294 591 HD23 LEU 75 2HD2 LEU 75 -2.199 12.950 7.988 592 H ARG 76 H ARG 76 -3.999 11.512 1.888 593 HA ARG 76 HA ARG 76 -4.829 12.590 0.068 594 HB2 ARG 76 2HB ARG 76 -6.645 13.585 2.240 595 HB3 ARG 76 1HB ARG 76 -6.789 14.222 0.608 596 HG2 ARG 76 2HG ARG 76 -8.310 12.524 0.533 597 HG3 ARG 76 1HG ARG 76 -6.868 11.683 -0.041 598 HD2 ARG 76 2HD ARG 76 -7.966 10.306 1.592 599 HD3 ARG 76 1HD ARG 76 -6.460 10.911 2.281 600 HE ARG 76 HE ARG 76 -7.672 12.080 3.839 601 HH11 ARG 76 1HH1 ARG 76 -9.816 10.977 1.314 602 HH12 ARG 76 2HH1 ARG 76 -11.254 11.435 2.164 603 HH21 ARG 76 1HH2 ARG 76 -9.562 12.681 4.956 604 HH22 ARG 76 2HH2 ARG 76 -11.109 12.401 4.232 605 H TYR 77 H TYR 77 -2.703 13.617 -0.046 606 HA TYR 77 HA TYR 77 -1.349 15.411 -0.390 607 HB2 TYR 77 2HB TYR 77 -4.089 16.533 -0.727 608 HB3 TYR 77 1HB TYR 77 -2.745 17.665 -0.626 609 HD1 TYR 77 1HD TYR 77 -4.080 14.784 -2.534 610 HD2 TYR 77 2HD TYR 77 -1.305 18.008 -2.468 611 HE1 TYR 77 1HE TYR 77 -3.595 14.409 -4.917 612 HE2 TYR 77 2HE TYR 77 -0.815 17.644 -4.850 613 HH TYR 77 HH TYR 77 -2.633 16.122 -6.890 614 H LYS 78 H LYS 78 -0.838 17.723 0.495 615 HA LYS 78 HA LYS 78 -0.479 17.468 3.288 616 HB2 LYS 78 2HB LYS 78 0.768 18.893 1.369 617 HB3 LYS 78 1HB LYS 78 -0.224 20.160 2.078 618 HG2 LYS 78 2HG LYS 78 0.722 19.429 4.321 619 HG3 LYS 78 1HG LYS 78 1.901 18.502 3.394 620 HD2 LYS 78 2HD LYS 78 3.119 20.385 3.429 621 HD3 LYS 78 1HD LYS 78 2.014 20.944 2.173 622 HE2 LYS 78 2HE LYS 78 1.045 22.442 3.532 623 HE3 LYS 78 1HE LYS 78 1.003 21.320 4.892 624 HZ1 LYS 78 3HZ LYS 78 3.102 23.216 4.110 625 HZ2 LYS 78 1HZ LYS 78 3.553 21.797 4.913 626 HZ3 LYS 78 2HZ LYS 78 2.475 22.878 5.644 627 H VAL 79 H VAL 79 -2.154 20.111 1.576 628 HA VAL 79 HA VAL 79 -4.450 19.921 3.301 629 HB VAL 79 HB VAL 79 -4.201 22.342 4.064 630 HG11 VAL 79 1HG1 VAL 79 -2.175 20.483 5.277 631 HG12 VAL 79 2HG1 VAL 79 -3.912 20.239 5.460 632 HG13 VAL 79 3HG1 VAL 79 -3.158 21.708 6.077 633 HG21 VAL 79 3HG2 VAL 79 -2.053 23.326 4.155 634 HG22 VAL 79 1HG2 VAL 79 -2.258 22.759 2.498 635 HG23 VAL 79 2HG2 VAL 79 -1.268 21.837 3.629 636 H ILE 80 H ILE 80 -3.908 19.859 0.462 637 HA ILE 80 HA ILE 80 -5.525 22.179 -0.368 638 HB ILE 80 HB ILE 80 -4.390 22.089 -2.574 639 HG12 ILE 80 2HG1 ILE 80 -1.955 20.844 -1.889 640 HG13 ILE 80 1HG1 ILE 80 -3.223 19.722 -1.407 641 HG21 ILE 80 1HG2 ILE 80 -2.873 22.721 -0.074 642 HG22 ILE 80 2HG2 ILE 80 -3.624 23.818 -1.235 643 HG23 ILE 80 3HG2 ILE 80 -2.137 22.968 -1.657 644 HD11 ILE 80 3HD1 ILE 80 -3.232 20.973 -4.122 645 HD12 ILE 80 1HD1 ILE 80 -4.007 19.485 -3.576 646 HD13 ILE 80 2HD1 ILE 80 -2.254 19.547 -3.771 647 H GLN 81 H GLN 81 -6.381 19.514 0.429 648 HA GLN 81 HA GLN 81 -7.934 18.883 -1.945 649 HB2 GLN 81 2HB GLN 81 -5.683 17.417 -1.540 650 HB3 GLN 81 1HB GLN 81 -6.849 16.476 -0.621 651 HG2 GLN 81 2HG GLN 81 -7.868 17.248 -3.222 652 HG3 GLN 81 1HG GLN 81 -6.374 16.317 -3.332 653 HE21 GLN 81 1HE2 GLN 81 -6.527 14.189 -3.235 654 HE22 GLN 81 2HE2 GLN 81 -7.899 13.298 -2.683 655 H GLN 82 H GLN 82 -9.987 18.560 -1.394 656 HA GLN 82 HA GLN 82 -10.784 17.083 0.904 657 HB2 GLN 82 2HB GLN 82 -10.243 19.808 1.358 658 HB3 GLN 82 1HB GLN 82 -11.996 19.673 1.307 659 HG2 GLN 82 2HG GLN 82 -10.853 17.548 2.876 660 HG3 GLN 82 1HG GLN 82 -10.313 19.122 3.455 661 HE21 GLN 82 1HE2 GLN 82 -12.035 17.268 4.799 662 HE22 GLN 82 2HE2 GLN 82 -13.548 18.066 5.045 663 H GLN 83 H GLN 83 -11.730 19.520 -1.487 664 HA GLN 83 HA GLN 83 -14.460 19.119 -1.553 665 HB2 GLN 83 2HB GLN 83 -12.483 19.869 -3.687 666 HB3 GLN 83 1HB GLN 83 -14.193 19.707 -4.061 667 HG2 GLN 83 2HG GLN 83 -14.786 21.516 -2.745 668 HG3 GLN 83 1HG GLN 83 -13.300 21.442 -1.799 669 HE21 GLN 83 1HE2 GLN 83 -12.551 23.461 -2.114 670 HE22 GLN 83 2HE2 GLN 83 -12.118 24.113 -3.654 671 H GLY 84 H GLY 84 -15.465 17.216 -1.629 672 HA2 GLY 84 2HA GLY 84 -14.981 15.472 -3.910 673 HA3 GLY 84 1HA GLY 84 -14.684 14.764 -2.329 674 H TYR 85 H TYR 85 -16.744 14.324 -4.531 675 HA TYR 85 HA TYR 85 -19.129 14.539 -2.812 676 HB2 TYR 85 2HB TYR 85 -18.784 14.894 -5.765 677 HB3 TYR 85 1HB TYR 85 -20.324 14.312 -5.140 678 HD1 TYR 85 1HD TYR 85 -17.876 16.953 -4.113 679 HD2 TYR 85 2HD TYR 85 -21.914 15.971 -5.028 680 HE1 TYR 85 1HE TYR 85 -18.544 19.270 -3.627 681 HE2 TYR 85 2HE TYR 85 -22.592 18.285 -4.546 682 HH TYR 85 HH TYR 85 -21.570 20.528 -4.478 683 H ARG 86 H ARG 86 -17.209 12.395 -2.774 684 HA ARG 86 HA ARG 86 -18.783 10.192 -3.931 685 HB2 ARG 86 2HB ARG 86 -15.949 10.715 -3.799 686 HB3 ARG 86 1HB ARG 86 -16.319 9.189 -3.007 687 HG2 ARG 86 2HG ARG 86 -17.408 8.375 -5.003 688 HG3 ARG 86 1HG ARG 86 -17.165 9.930 -5.801 689 HD2 ARG 86 2HD ARG 86 -14.665 9.536 -5.334 690 HD3 ARG 86 1HD ARG 86 -15.131 7.858 -5.047 691 HE ARG 86 HE ARG 86 -15.299 7.589 -7.301 692 HH11 ARG 86 1HH1 ARG 86 -15.573 10.995 -6.591 693 HH12 ARG 86 2HH1 ARG 86 -15.614 11.466 -8.257 694 HH21 ARG 86 1HH2 ARG 86 -15.353 8.206 -9.492 695 HH22 ARG 86 2HH2 ARG 86 -15.490 9.883 -9.904 696 H GLY 87 H GLY 87 -16.589 10.614 -1.143 697 HA2 GLY 87 2HA GLY 87 -17.852 10.517 1.074 698 HA3 GLY 87 1HA GLY 87 -18.482 9.002 0.445 699 H LYS 88 H LYS 88 -16.762 9.703 2.814 700 HA LYS 88 HA LYS 88 -14.664 7.716 2.273 701 HB2 LYS 88 2HB LYS 88 -13.219 9.040 3.898 702 HB3 LYS 88 1HB LYS 88 -13.449 9.739 2.300 703 HG2 LYS 88 2HG LYS 88 -15.500 10.670 4.073 704 HG3 LYS 88 1HG LYS 88 -13.909 10.941 4.789 705 HD2 LYS 88 2HD LYS 88 -13.970 12.827 3.549 706 HD3 LYS 88 1HD LYS 88 -13.443 11.747 2.256 707 HE2 LYS 88 2HE LYS 88 -15.888 11.383 1.737 708 HE3 LYS 88 1HE LYS 88 -16.233 12.712 2.843 709 HZ1 LYS 88 3HZ LYS 88 -14.240 13.234 0.792 710 HZ2 LYS 88 1HZ LYS 88 -15.463 14.235 1.394 711 HZ3 LYS 88 2HZ LYS 88 -15.830 13.049 0.246 712 H ASN 89 H ASN 89 -13.606 7.207 4.601 713 HA ASN 89 HA ASN 89 -13.886 6.104 6.569 714 HB2 ASN 89 2HB ASN 89 -15.999 8.221 6.723 715 HB3 ASN 89 1HB ASN 89 -15.934 6.974 7.964 716 HD21 ASN 89 1HD2 ASN 89 -15.562 8.974 9.260 717 HD22 ASN 89 2HD2 ASN 89 -13.928 9.487 9.475 718 H SER 90 H SER 90 -15.092 5.047 4.156 719 HA SER 90 HA SER 90 -17.470 3.679 5.200 720 HB2 SER 90 2HB SER 90 -17.145 4.863 2.791 721 HB3 SER 90 1HB SER 90 -16.629 3.224 2.395 722 HG SER 90 HG SER 90 -18.630 2.488 3.257 723 H VAL 91 H VAL 91 -17.518 1.515 5.535 724 HA VAL 91 HA VAL 91 -15.040 0.129 5.786 725 HB VAL 91 HB VAL 91 -16.423 -1.815 6.440 726 HG11 VAL 91 1HG1 VAL 91 -17.279 -0.870 8.484 727 HG12 VAL 91 2HG1 VAL 91 -17.316 0.741 7.768 728 HG13 VAL 91 3HG1 VAL 91 -15.772 -0.058 8.062 729 HG21 VAL 91 3HG2 VAL 91 -18.963 -0.910 6.762 730 HG22 VAL 91 1HG2 VAL 91 -18.423 -1.918 5.419 731 HG23 VAL 91 2HG2 VAL 91 -18.528 -0.168 5.223 732 H ALA 92 H ALA 92 -14.371 -1.770 4.710 733 HA ALA 92 HA ALA 92 -14.794 -1.732 1.900 734 HB1 ALA 92 1HB ALA 92 -13.585 -4.148 3.077 735 HB2 ALA 92 2HB ALA 92 -12.793 -2.624 3.470 736 HB3 ALA 92 3HB ALA 92 -13.003 -3.099 1.785 737 H ALA 93 H ALA 93 -16.742 -2.295 1.127 738 HA ALA 93 HA ALA 93 -17.835 -4.902 1.960 739 HB1 ALA 93 1HB ALA 93 -19.061 -2.599 2.534 740 HB2 ALA 93 2HB ALA 93 -19.938 -4.086 2.171 741 HB3 ALA 93 3HB ALA 93 -19.711 -2.866 0.917 742 H ARG 94 H ARG 94 -18.863 -6.148 0.351 743 HA ARG 94 HA ARG 94 -19.072 -5.296 -2.355 744 HB2 ARG 94 2HB ARG 94 -17.367 -6.971 -3.224 745 HB3 ARG 94 1HB ARG 94 -16.724 -5.502 -2.506 746 HG2 ARG 94 2HG ARG 94 -16.364 -6.759 -0.395 747 HG3 ARG 94 1HG ARG 94 -16.870 -8.226 -1.236 748 HD2 ARG 94 2HD ARG 94 -14.979 -8.292 -2.540 749 HD3 ARG 94 1HD ARG 94 -14.710 -6.553 -2.424 750 HE ARG 94 HE ARG 94 -14.388 -7.944 0.071 751 HH11 ARG 94 1HH1 ARG 94 -12.804 -6.949 -2.875 752 HH12 ARG 94 2HH1 ARG 94 -11.216 -7.000 -2.187 753 HH21 ARG 94 1HH2 ARG 94 -12.300 -8.012 0.980 754 HH22 ARG 94 2HH2 ARG 94 -10.930 -7.605 0.001 755 H SER 95 H SER 95 -18.700 -8.065 -0.176 756 HA SER 95 HA SER 95 -19.869 -10.002 0.040 757 HB2 SER 95 2HB SER 95 -21.838 -8.102 -1.092 758 HB3 SER 95 1HB SER 95 -22.250 -9.811 -1.232 759 HG SER 95 HG SER 95 -22.344 -9.988 0.914 760 HA PRO 96 HA PRO 96 -18.466 -11.660 -3.965 761 HB2 PRO 96 2HB PRO 96 -17.889 -14.140 -3.001 762 HB3 PRO 96 1HB PRO 96 -16.781 -12.769 -2.874 763 HG2 PRO 96 2HG PRO 96 -18.657 -13.885 -0.826 764 HG3 PRO 96 1HG PRO 96 -16.982 -13.335 -0.629 765 HD2 PRO 96 2HD PRO 96 -19.094 -11.810 0.081 766 HD3 PRO 96 1HD PRO 96 -17.590 -11.109 -0.551 767 H GLU 97 H GLU 97 -20.371 -11.784 -5.095 768 HA GLU 97 HA GLU 97 -21.769 -14.318 -4.968 769 HB2 GLU 97 2HB GLU 97 -22.844 -12.263 -3.523 770 HB3 GLU 97 1HB GLU 97 -23.655 -12.062 -5.068 771 HG2 GLU 97 2HG GLU 97 -24.608 -14.212 -4.964 772 HG3 GLU 97 1HG GLU 97 -23.554 -14.696 -3.637 773 H LYS 98 H LYS 98 -22.312 -14.992 -6.951 774 HA LYS 98 HA LYS 98 -22.096 -13.056 -9.153 775 HB2 LYS 98 2HB LYS 98 -21.572 -14.943 -10.593 776 HB3 LYS 98 1HB LYS 98 -20.485 -14.917 -9.211 777 HG2 LYS 98 2HG LYS 98 -22.605 -16.517 -8.399 778 HG3 LYS 98 1HG LYS 98 -22.318 -16.969 -10.081 779 HD2 LYS 98 2HD LYS 98 -20.742 -18.318 -9.209 780 HD3 LYS 98 1HD LYS 98 -19.776 -16.842 -9.133 781 HE2 LYS 98 2HE LYS 98 -19.993 -16.651 -6.875 782 HE3 LYS 98 1HE LYS 98 -21.590 -17.398 -6.855 783 HZ1 LYS 98 3HZ LYS 98 -20.374 -19.534 -7.415 784 HZ2 LYS 98 1HZ LYS 98 -20.178 -18.937 -5.844 785 HZ3 LYS 98 2HZ LYS 98 -18.952 -18.726 -6.989 786 H ALA 99 H ALA 99 -24.201 -15.325 -7.593 787 HA ALA 99 HA ALA 99 -26.415 -15.782 -7.842 788 HB1 ALA 99 1HB ALA 99 -26.532 -13.281 -8.060 789 HB2 ALA 99 2HB ALA 99 -27.842 -14.165 -8.842 790 HB3 ALA 99 3HB ALA 99 -26.522 -13.506 -9.809 791 H SER 100 H SER 100 -26.770 -17.668 -8.807 792 HA SER 100 HA SER 100 -27.120 -19.245 -10.407 793 HB2 SER 100 2HB SER 100 -27.324 -17.120 -12.515 794 HB3 SER 100 1HB SER 100 -28.255 -18.608 -12.338 795 HG SER 100 HG SER 100 -29.683 -17.341 -11.461 796 H ASN 101 H ASN 101 -25.459 -20.481 -10.951 797 HA ASN 101 HA ASN 101 -23.425 -19.381 -12.769 798 HB2 ASN 101 2HB ASN 101 -21.716 -20.732 -11.554 799 HB3 ASN 101 1HB ASN 101 -22.409 -19.440 -10.579 800 HD21 ASN 101 1HD2 ASN 101 -21.190 -21.272 -9.189 801 HD22 ASN 101 2HD2 ASN 101 -22.290 -22.355 -8.412 802 H MET 102 H MET 102 -23.405 -20.480 -14.604 803 HA MET 102 HA MET 102 -23.870 -23.382 -14.522 804 HB2 MET 102 2HB MET 102 -25.916 -22.271 -15.312 805 HB3 MET 102 1HB MET 102 -24.992 -21.470 -16.578 806 HG2 MET 102 2HG MET 102 -24.402 -23.737 -17.456 807 HG3 MET 102 1HG MET 102 -25.548 -24.410 -16.297 808 HE1 MET 102 3HE MET 102 -24.847 -23.690 -19.549 809 HE2 MET 102 1HE MET 102 -25.477 -22.054 -19.748 810 HE3 MET 102 2HE MET 102 -26.359 -23.427 -20.417 811 H GLU 103 H GLU 103 -22.888 -20.777 -16.755 812 HA GLU 103 HA GLU 103 -20.585 -22.443 -17.527 813 HB2 GLU 103 2HB GLU 103 -22.572 -22.156 -19.219 814 HB3 GLU 103 1HB GLU 103 -21.856 -20.573 -19.490 815 HG2 GLU 103 2HG GLU 103 -20.040 -21.414 -20.544 816 HG3 GLU 103 1HG GLU 103 -20.033 -22.896 -19.589 817 H ASN 104 H ASN 104 -21.913 -19.157 -17.401 818 HA ASN 104 HA ASN 104 -20.942 -17.131 -17.046 819 HB2 ASN 104 2HB ASN 104 -19.913 -18.683 -15.142 820 HB3 ASN 104 1HB ASN 104 -18.425 -18.363 -16.029 821 HD21 ASN 104 1HD2 ASN 104 -17.791 -16.150 -16.321 822 HD22 ASN 104 2HD2 ASN 104 -18.258 -14.961 -15.158 823 H ASN 105 H ASN 105 -20.613 -18.329 -19.592 824 HA ASN 105 HA ASN 105 -18.322 -16.809 -20.516 825 HB2 ASN 105 2HB ASN 105 -18.284 -19.698 -20.321 826 HB3 ASN 105 1HB ASN 105 -18.097 -19.180 -21.993 827 HD21 ASN 105 1HD2 ASN 105 -15.973 -19.779 -22.149 828 HD22 ASN 105 2HD2 ASN 105 -14.698 -18.964 -21.314 829 H GLU 106 H GLU 106 -19.632 -15.459 -21.668 830 HA GLU 106 HA GLU 106 -20.950 -16.644 -24.002 831 HB2 GLU 106 2HB GLU 106 -22.221 -15.092 -21.839 832 HB3 GLU 106 1HB GLU 106 -22.639 -14.582 -23.470 833 HG2 GLU 106 2HG GLU 106 -24.236 -16.137 -23.283 834 HG3 GLU 106 1HG GLU 106 -22.935 -17.252 -23.700 Start of MODEL 7 1 H1 GLY 1 1HT GLY 1 -6.810 -30.143 29.923 2 H2 GLY 1 2HT GLY 1 -8.173 -30.296 30.914 3 H3 GLY 1 3HT GLY 1 -8.320 -29.613 29.374 4 HA2 GLY 1 1HA GLY 1 -7.902 -31.659 28.296 5 HA3 GLY 1 2HA GLY 1 -7.426 -32.400 29.815 6 HA PRO 2 HA PRO 2 -11.601 -33.875 30.038 7 HB2 PRO 2 2HB PRO 2 -11.687 -34.632 32.629 8 HB3 PRO 2 1HB PRO 2 -10.761 -35.523 31.415 9 HG2 PRO 2 2HG PRO 2 -9.811 -33.523 33.430 10 HG3 PRO 2 1HG PRO 2 -9.080 -35.068 32.956 11 HD2 PRO 2 2HD PRO 2 -8.219 -32.664 32.013 12 HD3 PRO 2 1HD PRO 2 -8.100 -34.170 31.081 13 H GLY 3 H GLY 3 -13.423 -33.746 31.948 14 HA2 GLY 3 2HA GLY 3 -14.664 -32.356 33.383 15 HA3 GLY 3 1HA GLY 3 -13.549 -31.042 33.038 16 H SER 4 H SER 4 -16.614 -31.579 32.861 17 HA SER 4 HA SER 4 -18.351 -30.800 31.616 18 HB2 SER 4 2HB SER 4 -16.540 -28.816 31.557 19 HB3 SER 4 1HB SER 4 -16.607 -29.184 29.835 20 HG SER 4 HG SER 4 -18.166 -27.585 30.752 21 H LEU 5 H LEU 5 -19.346 -30.862 29.470 22 HA LEU 5 HA LEU 5 -17.872 -32.294 27.408 23 HB2 LEU 5 2HB LEU 5 -19.969 -33.482 29.103 24 HB3 LEU 5 1HB LEU 5 -20.180 -33.739 27.382 25 HG LEU 5 HG LEU 5 -17.464 -34.296 28.359 26 HD11 LEU 5 1HD1 LEU 5 -19.830 -35.552 29.599 27 HD12 LEU 5 2HD1 LEU 5 -18.191 -35.352 30.217 28 HD13 LEU 5 3HD1 LEU 5 -18.549 -36.643 29.070 29 HD21 LEU 5 3HD2 LEU 5 -17.450 -35.749 26.638 30 HD22 LEU 5 1HD2 LEU 5 -18.845 -34.811 26.100 31 HD23 LEU 5 2HD2 LEU 5 -19.083 -36.325 26.971 32 H SER 6 H SER 6 -18.291 -29.994 26.675 33 HA SER 6 HA SER 6 -20.916 -29.849 25.344 34 HB2 SER 6 2HB SER 6 -19.265 -27.416 25.984 35 HB3 SER 6 1HB SER 6 -20.992 -27.522 25.642 36 HG SER 6 HG SER 6 -19.905 -27.447 27.985 37 H ASN 7 H ASN 7 -17.464 -29.150 25.094 38 HA ASN 7 HA ASN 7 -16.065 -28.988 23.308 39 HB2 ASN 7 2HB ASN 7 -18.361 -30.260 21.801 40 HB3 ASN 7 1HB ASN 7 -16.711 -30.104 21.208 41 HD21 ASN 7 1HD2 ASN 7 -18.794 -31.684 23.512 42 HD22 ASN 7 2HD2 ASN 7 -17.712 -32.973 23.902 43 H PHE 8 H PHE 8 -15.499 -27.254 22.157 44 HA PHE 8 HA PHE 8 -17.442 -25.201 21.651 45 HB2 PHE 8 2HB PHE 8 -15.021 -24.859 22.403 46 HB3 PHE 8 1HB PHE 8 -14.570 -25.186 20.732 47 HD1 PHE 8 1HD PHE 8 -16.663 -22.951 22.833 48 HD2 PHE 8 2HD PHE 8 -14.594 -23.484 19.152 49 HE1 PHE 8 1HE PHE 8 -17.069 -20.591 22.266 50 HE2 PHE 8 2HE PHE 8 -14.996 -21.125 18.579 51 HZ PHE 8 HZ PHE 8 -16.235 -19.675 20.138 52 H ALA 9 H ALA 9 -17.946 -24.269 19.629 53 HA ALA 9 HA ALA 9 -17.056 -25.450 17.176 54 HB1 ALA 9 1HB ALA 9 -18.824 -26.737 16.565 55 HB2 ALA 9 2HB ALA 9 -19.983 -25.785 17.492 56 HB3 ALA 9 3HB ALA 9 -18.942 -26.951 18.311 57 H ASN 10 H ASN 10 -17.380 -24.101 15.476 58 HA ASN 10 HA ASN 10 -18.746 -21.577 16.059 59 HB2 ASN 10 2HB ASN 10 -16.517 -22.386 14.254 60 HB3 ASN 10 1HB ASN 10 -17.526 -21.032 13.754 61 HD21 ASN 10 1HD2 ASN 10 -17.472 -19.128 14.906 62 HD22 ASN 10 2HD2 ASN 10 -16.260 -18.788 16.090 63 H VAL 11 H VAL 11 -20.313 -23.862 15.489 64 HA VAL 11 HA VAL 11 -22.009 -24.631 14.197 65 HB VAL 11 HB VAL 11 -22.814 -22.331 14.756 66 HG11 VAL 11 1HG1 VAL 11 -22.943 -20.789 12.694 67 HG12 VAL 11 2HG1 VAL 11 -21.559 -21.711 12.110 68 HG13 VAL 11 3HG1 VAL 11 -21.451 -20.828 13.633 69 HG21 VAL 11 3HG2 VAL 11 -23.864 -23.012 12.051 70 HG22 VAL 11 1HG2 VAL 11 -24.734 -22.573 13.522 71 HG23 VAL 11 2HG2 VAL 11 -24.026 -24.180 13.363 72 H GLY 12 H GLY 12 -22.834 -25.034 11.999 73 HA2 GLY 12 2HA GLY 12 -21.632 -24.267 9.635 74 HA3 GLY 12 1HA GLY 12 -20.674 -25.613 10.231 75 H VAL 13 H VAL 13 -21.338 -26.715 8.278 76 HA VAL 13 HA VAL 13 -24.113 -27.696 8.377 77 HB VAL 13 HB VAL 13 -23.724 -28.400 5.998 78 HG11 VAL 13 1HG1 VAL 13 -23.631 -25.513 6.814 79 HG12 VAL 13 2HG1 VAL 13 -25.015 -26.467 6.281 80 HG13 VAL 13 3HG1 VAL 13 -23.769 -25.997 5.124 81 HG21 VAL 13 3HG2 VAL 13 -21.101 -28.020 6.513 82 HG22 VAL 13 1HG2 VAL 13 -21.496 -26.494 5.720 83 HG23 VAL 13 2HG2 VAL 13 -21.795 -28.021 4.892 84 H GLY 14 H GLY 14 -21.825 -28.695 9.967 85 HA2 GLY 14 2HA GLY 14 -21.996 -31.113 10.586 86 HA3 GLY 14 1HA GLY 14 -21.710 -31.445 8.885 87 H THR 15 H THR 15 -20.231 -29.706 11.619 88 HA THR 15 HA THR 15 -18.062 -29.430 12.250 89 HB THR 15 HB THR 15 -16.706 -31.373 12.300 90 HG1 THR 15 1HG THR 15 -16.682 -31.946 10.150 91 HG21 THR 15 3HG2 THR 15 -18.494 -31.854 13.708 92 HG22 THR 15 1HG2 THR 15 -18.352 -33.281 12.681 93 HG23 THR 15 2HG2 THR 15 -19.611 -32.087 12.362 94 H SER 16 H SER 16 -18.571 -27.974 10.064 95 HA SER 16 HA SER 16 -16.143 -28.308 8.427 96 HB2 SER 16 2HB SER 16 -18.075 -26.770 6.991 97 HB3 SER 16 1HB SER 16 -17.394 -28.341 6.570 98 HG SER 16 HG SER 16 -19.210 -29.230 7.119 99 H SER 17 H SER 17 -14.775 -26.837 9.237 100 HA SER 17 HA SER 17 -15.640 -24.039 9.232 101 HB2 SER 17 2HB SER 17 -13.958 -25.146 11.481 102 HB3 SER 17 1HB SER 17 -14.743 -23.569 11.383 103 HG SER 17 HG SER 17 -16.091 -26.064 11.507 104 H GLY 18 H GLY 18 -14.431 -23.412 7.518 105 HA2 GLY 18 2HA GLY 18 -11.593 -24.154 7.446 106 HA3 GLY 18 1HA GLY 18 -12.509 -23.466 6.116 107 H LYS 19 H LYS 19 -10.362 -22.836 8.648 108 HA LYS 19 HA LYS 19 -10.949 -19.988 8.761 109 HB2 LYS 19 2HB LYS 19 -9.349 -21.895 10.345 110 HB3 LYS 19 1HB LYS 19 -8.666 -20.280 10.205 111 HG2 LYS 19 2HG LYS 19 -9.925 -19.891 12.022 112 HG3 LYS 19 1HG LYS 19 -11.201 -19.653 10.827 113 HD2 LYS 19 2HD LYS 19 -11.780 -22.070 11.076 114 HD3 LYS 19 1HD LYS 19 -10.614 -22.159 12.398 115 HE2 LYS 19 2HE LYS 19 -11.973 -21.082 13.837 116 HE3 LYS 19 1HE LYS 19 -12.568 -19.973 12.603 117 HZ1 LYS 19 3HZ LYS 19 -14.333 -21.402 13.379 118 HZ2 LYS 19 1HZ LYS 19 -13.441 -22.786 12.990 119 HZ3 LYS 19 2HZ LYS 19 -13.986 -21.759 11.762 120 H GLN 20 H GLN 20 -7.953 -21.861 8.258 121 HA GLN 20 HA GLN 20 -6.154 -21.519 6.909 122 HB2 GLN 20 2HB GLN 20 -8.463 -20.710 5.339 123 HB3 GLN 20 1HB GLN 20 -7.020 -19.821 4.871 124 HG2 GLN 20 2HG GLN 20 -6.401 -21.552 3.650 125 HG3 GLN 20 1HG GLN 20 -6.224 -22.493 5.129 126 HE21 GLN 20 1HE2 GLN 20 -6.949 -24.428 4.452 127 HE22 GLN 20 2HE2 GLN 20 -8.547 -24.723 3.864 128 H LYS 21 H LYS 21 -5.167 -19.428 5.500 129 HA LYS 21 HA LYS 21 -4.835 -17.391 7.585 130 HB2 LYS 21 2HB LYS 21 -3.069 -17.773 5.174 131 HB3 LYS 21 1HB LYS 21 -2.699 -16.919 6.666 132 HG2 LYS 21 2HG LYS 21 -3.280 -19.499 7.492 133 HG3 LYS 21 1HG LYS 21 -2.365 -19.712 5.997 134 HD2 LYS 21 2HD LYS 21 -0.738 -19.649 7.686 135 HD3 LYS 21 1HD LYS 21 -0.709 -18.031 6.979 136 HE2 LYS 21 2HE LYS 21 -2.300 -17.340 8.816 137 HE3 LYS 21 1HE LYS 21 -1.972 -18.900 9.569 138 HZ1 LYS 21 3HZ LYS 21 -0.476 -17.461 10.573 139 HZ2 LYS 21 1HZ LYS 21 -0.125 -16.637 9.137 140 HZ3 LYS 21 2HZ LYS 21 0.465 -18.203 9.381 141 H ARG 22 H ARG 22 -4.295 -15.152 6.701 142 HA ARG 22 HA ARG 22 -5.710 -14.491 4.240 143 HB2 ARG 22 2HB ARG 22 -7.260 -14.409 6.329 144 HB3 ARG 22 1HB ARG 22 -6.383 -12.934 6.716 145 HG2 ARG 22 2HG ARG 22 -7.014 -12.452 4.142 146 HG3 ARG 22 1HG ARG 22 -8.381 -13.458 4.622 147 HD2 ARG 22 2HD ARG 22 -8.465 -11.895 6.695 148 HD3 ARG 22 1HD ARG 22 -7.516 -10.801 5.690 149 HE ARG 22 HE ARG 22 -9.637 -11.534 4.124 150 HH11 ARG 22 1HH1 ARG 22 -9.267 -10.049 7.259 151 HH12 ARG 22 2HH1 ARG 22 -10.734 -9.135 7.138 152 HH21 ARG 22 1HH2 ARG 22 -11.566 -10.334 3.962 153 HH22 ARG 22 2HH2 ARG 22 -12.040 -9.297 5.267 154 H TYR 23 H TYR 23 -4.587 -13.044 3.121 155 HA TYR 23 HA TYR 23 -2.429 -11.598 4.461 156 HB2 TYR 23 2HB TYR 23 -2.616 -12.910 1.996 157 HB3 TYR 23 1HB TYR 23 -2.570 -11.196 1.592 158 HD1 TYR 23 2HD TYR 23 -0.764 -9.957 3.358 159 HD2 TYR 23 1HD TYR 23 -0.552 -13.897 1.766 160 HE1 TYR 23 2HE TYR 23 1.675 -9.946 3.671 161 HE2 TYR 23 1HE TYR 23 1.888 -13.896 2.076 162 HH TYR 23 HH TYR 23 3.715 -12.327 2.308 163 H LYS 24 H LYS 24 -5.188 -10.985 2.314 164 HA LYS 24 HA LYS 24 -4.867 -8.161 2.272 165 HB2 LYS 24 2HB LYS 24 -6.248 -9.804 0.721 166 HB3 LYS 24 1HB LYS 24 -7.540 -9.422 1.851 167 HG2 LYS 24 2HG LYS 24 -7.489 -7.135 1.296 168 HG3 LYS 24 1HG LYS 24 -5.944 -7.294 0.460 169 HD2 LYS 24 2HD LYS 24 -7.198 -7.412 -1.399 170 HD3 LYS 24 1HD LYS 24 -7.494 -9.078 -0.901 171 HE2 LYS 24 2HE LYS 24 -9.300 -7.340 0.478 172 HE3 LYS 24 1HE LYS 24 -9.371 -7.001 -1.250 173 HZ1 LYS 24 3HZ LYS 24 -10.030 -9.478 0.183 174 HZ2 LYS 24 1HZ LYS 24 -9.500 -9.574 -1.420 175 HZ3 LYS 24 2HZ LYS 24 -10.888 -8.686 -1.039 176 H PHE 25 H PHE 25 -4.504 -8.081 4.677 177 HA PHE 25 HA PHE 25 -6.445 -8.434 6.604 178 HB2 PHE 25 2HB PHE 25 -4.233 -6.424 6.313 179 HB3 PHE 25 1HB PHE 25 -5.317 -6.376 7.698 180 HD1 PHE 25 1HD PHE 25 -5.606 -8.672 8.950 181 HD2 PHE 25 2HD PHE 25 -2.303 -7.661 6.462 182 HE1 PHE 25 1HE PHE 25 -4.237 -10.374 10.081 183 HE2 PHE 25 2HE PHE 25 -0.929 -9.363 7.590 184 HZ PHE 25 HZ PHE 25 -1.896 -10.722 9.401 185 H SER 26 H SER 26 -8.195 -7.230 7.357 186 HA SER 26 HA SER 26 -9.494 -5.562 5.452 187 HB2 SER 26 2HB SER 26 -10.354 -5.454 8.297 188 HB3 SER 26 1HB SER 26 -11.317 -5.681 6.839 189 HG SER 26 HG SER 26 -10.284 -7.533 8.520 190 H ALA 27 H ALA 27 -7.326 -4.267 5.420 191 HA ALA 27 HA ALA 27 -6.340 -2.237 5.694 192 HB1 ALA 27 1HB ALA 27 -8.947 -1.644 5.784 193 HB2 ALA 27 2HB ALA 27 -7.682 -0.437 6.019 194 HB3 ALA 27 3HB ALA 27 -8.489 -1.151 7.415 195 H SER 28 H SER 28 -6.236 -4.487 7.742 196 HA SER 28 HA SER 28 -6.034 -3.428 10.326 197 HB2 SER 28 2HB SER 28 -6.010 -5.882 9.634 198 HB3 SER 28 1HB SER 28 -4.298 -5.664 9.278 199 HG SER 28 HG SER 28 -4.143 -4.878 11.513 200 H GLU 29 H GLU 29 -3.681 -3.584 7.716 201 HA GLU 29 HA GLU 29 -1.405 -2.807 9.136 202 HB2 GLU 29 2HB GLU 29 -0.616 -1.931 6.885 203 HB3 GLU 29 1HB GLU 29 -1.081 -3.625 6.946 204 HG2 GLU 29 2HG GLU 29 -3.425 -2.401 6.242 205 HG3 GLU 29 1HG GLU 29 -2.217 -1.416 5.420 206 H ASP 30 H ASP 30 -3.680 -0.777 7.282 207 HA ASP 30 HA ASP 30 -2.483 1.679 7.927 208 HB2 ASP 30 2HB ASP 30 -5.060 0.797 6.778 209 HB3 ASP 30 1HB ASP 30 -5.067 2.394 7.524 210 H GLU 31 H GLU 31 -5.016 -0.185 9.510 211 HA GLU 31 HA GLU 31 -5.777 1.726 11.414 212 HB2 GLU 31 2HB GLU 31 -6.612 -0.791 10.778 213 HB3 GLU 31 1HB GLU 31 -5.808 -1.080 12.314 214 HG2 GLU 31 2HG GLU 31 -7.202 0.732 13.305 215 HG3 GLU 31 1HG GLU 31 -8.083 0.811 11.781 216 H ALA 32 H ALA 32 -3.051 -0.431 11.255 217 HA ALA 32 HA ALA 32 -2.323 -0.123 14.010 218 HB1 ALA 32 1HB ALA 32 -1.668 -1.947 12.134 219 HB2 ALA 32 2HB ALA 32 -0.735 -1.674 13.606 220 HB3 ALA 32 3HB ALA 32 -0.234 -0.920 12.093 221 H ILE 33 H ILE 33 -1.388 1.371 10.954 222 HA ILE 33 HA ILE 33 0.718 2.924 12.096 223 HB ILE 33 HB ILE 33 -0.705 3.797 9.614 224 HG12 ILE 33 2HG1 ILE 33 0.969 1.325 9.982 225 HG13 ILE 33 1HG1 ILE 33 -0.531 1.525 9.084 226 HG21 ILE 33 1HG2 ILE 33 2.240 3.685 10.215 227 HG22 ILE 33 2HG2 ILE 33 1.219 5.038 10.701 228 HG23 ILE 33 3HG2 ILE 33 1.407 4.647 8.992 229 HD11 ILE 33 3HD1 ILE 33 2.224 1.843 8.220 230 HD12 ILE 33 1HD1 ILE 33 1.183 3.185 7.745 231 HD13 ILE 33 2HD1 ILE 33 0.766 1.536 7.278 232 H ILE 34 H ILE 34 -2.708 3.490 11.463 233 HA ILE 34 HA ILE 34 -2.638 6.259 12.119 234 HB ILE 34 HB ILE 34 -5.085 6.109 12.323 235 HG12 ILE 34 2HG1 ILE 34 -5.961 3.733 11.534 236 HG13 ILE 34 1HG1 ILE 34 -4.473 3.193 12.300 237 HG21 ILE 34 1HG2 ILE 34 -5.394 6.048 10.084 238 HG22 ILE 34 2HG2 ILE 34 -4.572 4.498 9.902 239 HG23 ILE 34 3HG2 ILE 34 -3.631 5.979 10.077 240 HD11 ILE 34 3HD1 ILE 34 -5.599 4.915 14.148 241 HD12 ILE 34 1HD1 ILE 34 -5.606 3.152 14.202 242 HD13 ILE 34 2HD1 ILE 34 -6.967 4.019 13.488 243 H LYS 35 H LYS 35 -3.229 3.301 13.941 244 HA LYS 35 HA LYS 35 -3.911 4.642 16.374 245 HB2 LYS 35 2HB LYS 35 -4.568 2.282 15.812 246 HB3 LYS 35 1HB LYS 35 -2.886 1.818 16.030 247 HG2 LYS 35 2HG LYS 35 -4.155 3.281 18.262 248 HG3 LYS 35 1HG LYS 35 -4.715 1.635 17.963 249 HD2 LYS 35 2HD LYS 35 -2.240 0.993 17.929 250 HD3 LYS 35 1HD LYS 35 -1.943 2.580 18.640 251 HE2 LYS 35 2HE LYS 35 -4.058 0.989 19.929 252 HE3 LYS 35 1HE LYS 35 -2.428 0.331 20.068 253 HZ1 LYS 35 3HZ LYS 35 -2.798 3.178 20.629 254 HZ2 LYS 35 1HZ LYS 35 -1.733 2.067 21.333 255 HZ3 LYS 35 2HZ LYS 35 -3.364 2.075 21.779 256 H GLY 36 H GLY 36 -0.997 3.227 14.998 257 HA2 GLY 36 2HA GLY 36 0.692 3.543 17.225 258 HA3 GLY 36 1HA GLY 36 1.218 3.452 15.549 259 H LEU 37 H LEU 37 0.122 5.662 14.430 260 HA LEU 37 HA LEU 37 1.886 7.704 15.155 261 HB2 LEU 37 2HB LEU 37 -0.230 7.308 13.233 262 HB3 LEU 37 1HB LEU 37 -0.310 8.928 13.895 263 HG LEU 37 HG LEU 37 2.335 8.770 13.343 264 HD11 LEU 37 1HD1 LEU 37 2.082 7.830 10.846 265 HD12 LEU 37 2HD1 LEU 37 0.960 6.755 11.682 266 HD13 LEU 37 3HD1 LEU 37 2.644 6.848 12.199 267 HD21 LEU 37 3HD2 LEU 37 0.414 10.397 12.635 268 HD22 LEU 37 1HD2 LEU 37 0.480 9.492 11.122 269 HD23 LEU 37 2HD2 LEU 37 1.914 10.332 11.710 270 H ALA 38 H ALA 38 -1.518 7.182 15.978 271 HA ALA 38 HA ALA 38 -2.033 9.577 17.295 272 HB1 ALA 38 1HB ALA 38 -3.115 6.808 17.782 273 HB2 ALA 38 2HB ALA 38 -3.837 8.099 16.822 274 HB3 ALA 38 3HB ALA 38 -3.740 8.255 18.574 275 H ARG 39 H ARG 39 -0.225 6.781 18.326 276 HA ARG 39 HA ARG 39 0.229 8.081 20.932 277 HB2 ARG 39 2HB ARG 39 -0.518 5.371 20.272 278 HB3 ARG 39 1HB ARG 39 1.007 5.388 21.147 279 HG2 ARG 39 2HG ARG 39 -1.170 7.070 22.231 280 HG3 ARG 39 1HG ARG 39 -1.367 5.320 22.355 281 HD2 ARG 39 2HD ARG 39 -0.028 5.325 24.126 282 HD3 ARG 39 1HD ARG 39 1.290 5.890 23.102 283 HE ARG 39 HE ARG 39 1.125 7.899 24.151 284 HH11 ARG 39 1HH1 ARG 39 -1.972 6.308 24.384 285 HH12 ARG 39 2HH1 ARG 39 -2.683 7.559 25.344 286 HH21 ARG 39 1HH2 ARG 39 0.190 9.547 25.415 287 HH22 ARG 39 2HH2 ARG 39 -1.457 9.399 25.931 288 H PHE 40 H PHE 40 1.673 8.470 18.377 289 HA PHE 40 HA PHE 40 4.333 8.259 19.439 290 HB2 PHE 40 2HB PHE 40 3.512 6.588 17.066 291 HB3 PHE 40 1HB PHE 40 5.184 7.048 17.360 292 HD1 PHE 40 2HD PHE 40 5.765 6.668 20.044 293 HD2 PHE 40 1HD PHE 40 3.051 4.429 17.649 294 HE1 PHE 40 2HE PHE 40 6.032 4.740 21.550 295 HE2 PHE 40 1HE PHE 40 3.313 2.497 19.151 296 HZ PHE 40 HZ PHE 40 4.807 2.651 21.104 297 H THR 41 H THR 41 4.429 10.475 19.212 298 HA THR 41 HA THR 41 5.153 11.433 16.609 299 HB THR 41 HB THR 41 3.424 13.353 16.790 300 HG1 THR 41 1HG THR 41 2.082 11.352 18.281 301 HG21 THR 41 3HG2 THR 41 3.419 11.425 15.113 302 HG22 THR 41 1HG2 THR 41 1.907 12.291 15.388 303 HG23 THR 41 2HG2 THR 41 2.171 10.717 16.139 304 H LYS 42 H LYS 42 7.059 11.673 17.979 305 HA LYS 42 HA LYS 42 6.931 14.067 19.690 306 HB2 LYS 42 2HB LYS 42 9.005 11.867 19.748 307 HB3 LYS 42 1HB LYS 42 8.875 13.216 20.868 308 HG2 LYS 42 2HG LYS 42 7.519 12.051 22.166 309 HG3 LYS 42 1HG LYS 42 6.392 11.820 20.829 310 HD2 LYS 42 2HD LYS 42 8.680 10.098 20.521 311 HD3 LYS 42 1HD LYS 42 7.951 9.871 22.111 312 HE2 LYS 42 2HE LYS 42 6.311 9.903 19.595 313 HE3 LYS 42 1HE LYS 42 7.074 8.431 20.193 314 HZ1 LYS 42 3HZ LYS 42 5.444 8.175 21.651 315 HZ2 LYS 42 1HZ LYS 42 4.643 9.501 20.970 316 HZ3 LYS 42 2HZ LYS 42 5.681 9.725 22.288 317 H GLY 43 H GLY 43 8.697 12.436 17.118 318 HA2 GLY 43 2HA GLY 43 10.272 14.899 16.710 319 HA3 GLY 43 1HA GLY 43 10.786 13.295 16.211 320 H GLN 44 H GLN 44 11.146 14.336 14.125 321 HA GLN 44 HA GLN 44 8.697 14.924 12.626 322 HB2 GLN 44 2HB GLN 44 10.258 15.786 10.884 323 HB3 GLN 44 1HB GLN 44 10.387 16.622 12.424 324 HG2 GLN 44 2HG GLN 44 12.549 16.190 12.503 325 HG3 GLN 44 1HG GLN 44 12.224 14.459 12.436 326 HE21 GLN 44 1HE2 GLN 44 14.255 16.370 11.186 327 HE22 GLN 44 2HE2 GLN 44 14.270 15.915 9.520 328 H GLN 45 H GLN 45 9.380 12.213 13.370 329 HA GLN 45 HA GLN 45 9.173 11.016 10.754 330 HB2 GLN 45 2HB GLN 45 11.047 9.379 11.258 331 HB3 GLN 45 1HB GLN 45 11.538 11.010 10.820 332 HG2 GLN 45 2HG GLN 45 11.561 11.389 13.399 333 HG3 GLN 45 1HG GLN 45 11.679 9.631 13.457 334 HE21 GLN 45 1HE2 GLN 45 13.738 10.526 14.540 335 HE22 GLN 45 2HE2 GLN 45 15.120 10.651 13.512 336 H ARG 46 H ARG 46 7.093 10.602 11.775 337 HA ARG 46 HA ARG 46 7.138 8.522 13.840 338 HB2 ARG 46 2HB ARG 46 4.659 8.983 13.950 339 HB3 ARG 46 1HB ARG 46 5.695 10.318 14.432 340 HG2 ARG 46 2HG ARG 46 4.831 10.207 11.599 341 HG3 ARG 46 1HG ARG 46 3.626 10.643 12.814 342 HD2 ARG 46 2HD ARG 46 6.143 12.029 13.220 343 HD3 ARG 46 1HD ARG 46 5.466 12.340 11.622 344 HE ARG 46 HE ARG 46 4.433 13.236 14.149 345 HH11 ARG 46 1HH1 ARG 46 3.639 12.510 10.829 346 HH12 ARG 46 2HH1 ARG 46 2.247 13.538 10.805 347 HH21 ARG 46 1HH2 ARG 46 2.601 14.588 14.120 348 HH22 ARG 46 2HH2 ARG 46 1.657 14.720 12.674 349 H PHE 47 H PHE 47 6.312 9.115 10.515 350 HA PHE 47 HA PHE 47 4.673 6.871 10.059 351 HB2 PHE 47 2HB PHE 47 6.507 8.239 8.083 352 HB3 PHE 47 1HB PHE 47 5.103 7.249 7.699 353 HD1 PHE 47 2HD PHE 47 2.903 8.117 9.054 354 HD2 PHE 47 1HD PHE 47 6.218 10.488 7.829 355 HE1 PHE 47 2HE PHE 47 1.479 10.122 9.098 356 HE2 PHE 47 1HE PHE 47 4.801 12.499 7.870 357 HZ PHE 47 HZ PHE 47 2.427 12.317 8.505 358 H GLN 48 H GLN 48 8.169 7.336 9.551 359 HA GLN 48 HA GLN 48 8.614 4.649 8.731 360 HB2 GLN 48 2HB GLN 48 11.050 5.237 9.208 361 HB3 GLN 48 1HB GLN 48 10.223 6.201 7.993 362 HG2 GLN 48 2HG GLN 48 10.737 8.045 9.089 363 HG3 GLN 48 1HG GLN 48 9.863 7.467 10.504 364 HE21 GLN 48 1HE2 GLN 48 10.973 6.757 12.247 365 HE22 GLN 48 2HE2 GLN 48 12.698 6.757 12.364 366 H GLN 49 H GLN 49 8.991 6.364 11.808 367 HA GLN 49 HA GLN 49 10.150 4.247 13.249 368 HB2 GLN 49 2HB GLN 49 9.521 6.865 13.784 369 HB3 GLN 49 1HB GLN 49 8.380 5.996 14.802 370 HG2 GLN 49 2HG GLN 49 10.223 4.769 15.828 371 HG3 GLN 49 1HG GLN 49 11.370 5.632 14.804 372 HE21 GLN 49 1HE2 GLN 49 11.925 7.713 15.296 373 HE22 GLN 49 2HE2 GLN 49 11.449 8.507 16.754 374 H ILE 50 H ILE 50 6.750 5.294 13.009 375 HA ILE 50 HA ILE 50 5.674 3.306 14.657 376 HB ILE 50 HB ILE 50 4.512 5.389 13.712 377 HG12 ILE 50 2HG1 ILE 50 3.437 3.658 15.131 378 HG13 ILE 50 1HG1 ILE 50 2.322 4.404 13.990 379 HG21 ILE 50 1HG2 ILE 50 4.029 3.494 11.423 380 HG22 ILE 50 2HG2 ILE 50 4.849 5.054 11.368 381 HG23 ILE 50 3HG2 ILE 50 3.121 4.979 11.703 382 HD11 ILE 50 3HD1 ILE 50 3.090 2.298 12.537 383 HD12 ILE 50 1HD1 ILE 50 1.727 2.262 13.656 384 HD13 ILE 50 2HD1 ILE 50 3.297 1.631 14.156 385 H TYR 51 H TYR 51 6.439 3.319 11.225 386 HA TYR 51 HA TYR 51 5.211 0.905 10.513 387 HB2 TYR 51 2HB TYR 51 6.016 2.450 8.824 388 HB3 TYR 51 1HB TYR 51 7.674 2.238 9.375 389 HD1 TYR 51 2HD TYR 51 4.816 0.157 8.147 390 HD2 TYR 51 1HD TYR 51 9.020 0.808 8.166 391 HE1 TYR 51 2HE TYR 51 5.103 -1.693 6.553 392 HE2 TYR 51 1HE TYR 51 9.319 -1.041 6.572 393 HH TYR 51 HH TYR 51 6.690 -2.488 4.922 394 H TYR 52 H TYR 52 8.395 1.598 11.846 395 HA TYR 52 HA TYR 52 9.395 -1.045 11.635 396 HB2 TYR 52 2HB TYR 52 10.224 1.451 13.015 397 HB3 TYR 52 1HB TYR 52 10.891 -0.059 13.629 398 HD1 TYR 52 2HD TYR 52 10.274 1.518 10.288 399 HD2 TYR 52 1HD TYR 52 12.954 -0.636 12.794 400 HE1 TYR 52 2HE TYR 52 11.957 1.540 8.496 401 HE2 TYR 52 1HE TYR 52 14.645 -0.618 11.010 402 HH TYR 52 HH TYR 52 14.536 -0.430 8.373 403 H ALA 53 H ALA 53 7.603 0.655 14.143 404 HA ALA 53 HA ALA 53 7.945 -1.342 16.135 405 HB1 ALA 53 1HB ALA 53 7.305 0.584 17.148 406 HB2 ALA 53 2HB ALA 53 5.709 -0.143 16.960 407 HB3 ALA 53 3HB ALA 53 6.266 1.071 15.808 408 H TYR 54 H TYR 54 5.213 -0.554 14.008 409 HA TYR 54 HA TYR 54 3.816 -2.958 14.751 410 HB2 TYR 54 2HB TYR 54 1.995 -2.021 13.797 411 HB3 TYR 54 1HB TYR 54 2.957 -0.552 13.854 412 HD1 TYR 54 2HD TYR 54 1.800 -3.291 11.661 413 HD2 TYR 54 1HD TYR 54 3.667 0.524 11.856 414 HE1 TYR 54 2HE TYR 54 1.559 -3.056 9.226 415 HE2 TYR 54 1HE TYR 54 3.428 0.771 9.422 416 HH TYR 54 HH TYR 54 1.607 -0.410 7.622 417 H ARG 55 H ARG 55 6.457 -2.536 12.883 418 HA ARG 55 HA ARG 55 5.994 -3.802 10.473 419 HB2 ARG 55 2HB ARG 55 8.211 -2.884 11.818 420 HB3 ARG 55 1HB ARG 55 8.504 -4.616 11.753 421 HG2 ARG 55 2HG ARG 55 7.705 -4.066 9.195 422 HG3 ARG 55 1HG ARG 55 8.604 -2.613 9.637 423 HD2 ARG 55 2HD ARG 55 9.618 -5.442 9.893 424 HD3 ARG 55 1HD ARG 55 10.029 -4.328 8.589 425 HE ARG 55 HE ARG 55 10.658 -3.061 10.978 426 HH11 ARG 55 1HH1 ARG 55 11.669 -5.892 9.205 427 HH12 ARG 55 2HH1 ARG 55 13.287 -5.853 9.821 428 HH21 ARG 55 1HH2 ARG 55 12.786 -3.010 11.789 429 HH22 ARG 55 2HH2 ARG 55 13.921 -4.217 11.289 430 H SER 56 H SER 56 4.574 -5.487 10.570 431 HA SER 56 HA SER 56 5.538 -8.065 10.909 432 HB2 SER 56 2HB SER 56 5.062 -6.958 13.402 433 HB3 SER 56 1HB SER 56 3.594 -7.881 13.087 434 HG SER 56 HG SER 56 5.100 -9.644 12.515 435 H VAL 57 H VAL 57 2.762 -5.927 11.055 436 HA VAL 57 HA VAL 57 0.871 -7.915 10.219 437 HB VAL 57 HB VAL 57 0.532 -4.919 10.112 438 HG11 VAL 57 1HG1 VAL 57 -1.314 -5.688 9.034 439 HG12 VAL 57 2HG1 VAL 57 -1.891 -5.855 10.692 440 HG13 VAL 57 3HG1 VAL 57 -1.263 -7.260 9.829 441 HG21 VAL 57 3HG2 VAL 57 0.379 -4.805 12.331 442 HG22 VAL 57 1HG2 VAL 57 1.070 -6.426 12.389 443 HG23 VAL 57 2HG2 VAL 57 -0.681 -6.212 12.398 444 H TRP 58 H TRP 58 2.139 -4.970 8.636 445 HA TRP 58 HA TRP 58 1.086 -5.653 6.094 446 HB2 TRP 58 2HB TRP 58 2.191 -3.386 7.219 447 HB3 TRP 58 1HB TRP 58 3.407 -3.867 6.042 448 HD1 TRP 58 HD TRP 58 1.581 -1.225 5.767 449 HE1 TRP 58 1HE TRP 58 0.160 -0.924 3.645 450 HE3 TRP 58 3HE TRP 58 1.350 -6.100 4.234 451 HZ2 TRP 58 2HZ TRP 58 -0.916 -2.532 1.595 452 HZ3 TRP 58 3HZ TRP 58 0.106 -6.631 2.180 453 HH2 TRP 58 HH TRP 58 -1.004 -4.884 0.890 454 H HIS 59 H HIS 59 4.548 -5.205 6.818 455 HA HIS 59 HA HIS 59 5.221 -7.813 5.802 456 HB2 HIS 59 2HB HIS 59 4.836 -6.222 3.790 457 HB3 HIS 59 1HB HIS 59 6.370 -5.502 4.267 458 HD1 HIS 59 1HD HIS 59 5.117 -9.050 3.633 459 HD2 HIS 59 2HD HIS 59 8.412 -6.622 2.913 460 HE1 HIS 59 1HE HIS 59 6.722 -10.467 2.315 461 HE2 HIS 59 2HE HIS 59 8.669 -8.949 1.813 462 HA PRO 60 HA PRO 60 8.286 -6.677 8.924 463 HB2 PRO 60 2HB PRO 60 9.235 -9.428 8.430 464 HB3 PRO 60 1HB PRO 60 8.708 -8.675 9.937 465 HG2 PRO 60 2HG PRO 60 7.205 -10.508 8.685 466 HG3 PRO 60 1HG PRO 60 6.479 -9.135 9.541 467 HD2 PRO 60 2HD PRO 60 6.904 -9.524 6.604 468 HD3 PRO 60 1HD PRO 60 5.511 -8.830 7.460 469 H ALA 61 H ALA 61 9.152 -5.298 7.097 470 HA ALA 61 HA ALA 61 11.879 -5.845 6.694 471 HB1 ALA 61 1HB ALA 61 11.495 -5.854 4.046 472 HB2 ALA 61 2HB ALA 61 10.044 -6.721 4.550 473 HB3 ALA 61 3HB ALA 61 11.636 -7.329 5.003 474 H ARG 62 H ARG 62 12.931 -4.211 5.274 475 HA ARG 62 HA ARG 62 12.046 -1.628 5.882 476 HB2 ARG 62 2HB ARG 62 14.086 -2.707 3.959 477 HB3 ARG 62 1HB ARG 62 13.737 -0.985 4.021 478 HG2 ARG 62 2HG ARG 62 14.120 -1.783 6.679 479 HG3 ARG 62 1HG ARG 62 15.390 -2.573 5.742 480 HD2 ARG 62 2HD ARG 62 14.741 0.372 5.655 481 HD3 ARG 62 1HD ARG 62 16.054 -0.348 6.584 482 HE ARG 62 HE ARG 62 15.996 0.143 3.750 483 HH11 ARG 62 1HH1 ARG 62 17.435 -1.756 6.301 484 HH12 ARG 62 2HH1 ARG 62 18.873 -2.104 5.401 485 HH21 ARG 62 1HH2 ARG 62 17.886 -0.317 2.564 486 HH22 ARG 62 2HH2 ARG 62 19.129 -1.288 3.280 487 H THR 63 H THR 63 10.450 -0.469 5.047 488 HA THR 63 HA THR 63 9.986 -0.334 2.222 489 HB THR 63 HB THR 63 7.534 -1.175 3.676 490 HG1 THR 63 1HG THR 63 9.020 -2.749 4.334 491 HG21 THR 63 3HG2 THR 63 6.780 -1.211 1.602 492 HG22 THR 63 1HG2 THR 63 7.849 -2.577 1.281 493 HG23 THR 63 2HG2 THR 63 8.399 -0.932 0.958 494 H VAL 64 H VAL 64 10.673 1.530 4.246 495 HA VAL 64 HA VAL 64 8.507 3.002 5.236 496 HB VAL 64 HB VAL 64 11.244 4.029 4.469 497 HG11 VAL 64 1HG1 VAL 64 9.543 5.802 4.768 498 HG12 VAL 64 2HG1 VAL 64 10.815 5.857 5.989 499 HG13 VAL 64 3HG1 VAL 64 9.233 5.193 6.395 500 HG21 VAL 64 3HG2 VAL 64 10.895 2.074 6.189 501 HG22 VAL 64 1HG2 VAL 64 10.430 3.394 7.262 502 HG23 VAL 64 2HG2 VAL 64 12.031 3.381 6.524 503 H SER 65 H SER 65 10.128 3.072 2.119 504 HA SER 65 HA SER 65 9.038 5.454 1.123 505 HB2 SER 65 2HB SER 65 9.883 2.928 -0.311 506 HB3 SER 65 1HB SER 65 9.442 4.421 -1.139 507 HG SER 65 HG SER 65 11.788 3.891 -0.472 508 H GLN 66 H GLN 66 7.900 2.115 0.842 509 HA GLN 66 HA GLN 66 5.544 2.660 -0.584 510 HB2 GLN 66 2HB GLN 66 6.804 0.391 0.412 511 HB3 GLN 66 1HB GLN 66 5.283 0.442 1.291 512 HG2 GLN 66 2HG GLN 66 4.047 0.497 -0.788 513 HG3 GLN 66 1HG GLN 66 5.553 0.545 -1.705 514 HE21 GLN 66 1HE2 GLN 66 3.930 -1.405 0.775 515 HE22 GLN 66 2HE2 GLN 66 4.428 -2.934 0.143 516 H LEU 67 H LEU 67 6.350 2.830 2.802 517 HA LEU 67 HA LEU 67 3.742 2.984 3.852 518 HB2 LEU 67 2HB LEU 67 6.063 2.678 5.014 519 HB3 LEU 67 1HB LEU 67 6.079 4.428 5.053 520 HG LEU 67 HG LEU 67 5.295 3.792 7.160 521 HD11 LEU 67 1HD1 LEU 67 2.914 4.468 7.200 522 HD12 LEU 67 2HD1 LEU 67 2.902 4.403 5.438 523 HD13 LEU 67 3HD1 LEU 67 3.943 5.556 6.271 524 HD21 LEU 67 3HD2 LEU 67 4.110 1.942 7.664 525 HD22 LEU 67 1HD2 LEU 67 4.695 1.414 6.086 526 HD23 LEU 67 2HD2 LEU 67 3.072 2.084 6.247 527 H TYR 68 H TYR 68 6.066 5.511 2.995 528 HA TYR 68 HA TYR 68 4.396 7.694 3.579 529 HB2 TYR 68 2HB TYR 68 6.765 7.360 1.745 530 HB3 TYR 68 1HB TYR 68 5.921 8.897 1.893 531 HD1 TYR 68 2HD TYR 68 6.245 6.719 4.822 532 HD2 TYR 68 1HD TYR 68 7.951 9.988 2.693 533 HE1 TYR 68 2HE TYR 68 7.615 7.277 6.784 534 HE2 TYR 68 1HE TYR 68 9.324 10.553 4.653 535 HH TYR 68 HH TYR 68 10.223 8.978 6.787 536 H ASP 69 H ASP 69 4.599 5.532 0.884 537 HA ASP 69 HA ASP 69 3.253 7.082 -1.041 538 HB2 ASP 69 2HB ASP 69 3.823 4.166 -0.693 539 HB3 ASP 69 1HB ASP 69 2.721 4.688 -1.964 540 H HIS 70 H HIS 70 2.043 4.538 1.142 541 HA HIS 70 HA HIS 70 -0.645 5.042 0.261 542 HB2 HIS 70 2HB HIS 70 -1.332 3.335 1.859 543 HB3 HIS 70 1HB HIS 70 -0.003 2.775 0.856 544 HD1 HIS 70 1HD HIS 70 1.392 1.314 2.215 545 HD2 HIS 70 2HD HIS 70 0.099 4.627 4.353 546 HE1 HIS 70 1HE HIS 70 2.469 1.114 4.466 547 HE2 HIS 70 2HE HIS 70 1.529 3.036 5.802 548 H TRP 71 H TRP 71 1.413 6.428 2.547 549 HA TRP 71 HA TRP 71 -0.738 7.369 4.259 550 HB2 TRP 71 2HB TRP 71 2.062 7.048 4.571 551 HB3 TRP 71 1HB TRP 71 1.739 8.773 4.689 552 HD1 TRP 71 HD TRP 71 2.603 6.711 7.117 553 HE1 TRP 71 1HE TRP 71 1.162 6.730 9.246 554 HE3 TRP 71 3HE TRP 71 -1.654 8.814 5.208 555 HZ2 TRP 71 2HZ TRP 71 -1.428 7.531 10.019 556 HZ3 TRP 71 3HZ TRP 71 -3.566 9.173 6.714 557 HH2 TRP 71 HH TRP 71 -3.453 8.543 9.069 558 H ARG 72 H ARG 72 1.281 8.436 1.609 559 HA ARG 72 HA ARG 72 0.483 11.195 1.783 560 HB2 ARG 72 2HB ARG 72 2.646 10.466 0.786 561 HB3 ARG 72 1HB ARG 72 1.753 9.711 -0.528 562 HG2 ARG 72 2HG ARG 72 1.164 12.557 -0.031 563 HG3 ARG 72 1HG ARG 72 2.775 12.185 -0.650 564 HD2 ARG 72 2HD ARG 72 1.710 10.878 -2.474 565 HD3 ARG 72 1HD ARG 72 0.136 11.410 -1.886 566 HE ARG 72 HE ARG 72 1.884 13.603 -2.407 567 HH11 ARG 72 1HH1 ARG 72 -0.257 11.304 -3.927 568 HH12 ARG 72 2HH1 ARG 72 -0.600 12.329 -5.280 569 HH21 ARG 72 1HH2 ARG 72 1.434 14.952 -4.188 570 HH22 ARG 72 2HH2 ARG 72 0.360 14.399 -5.428 571 H GLY 73 H GLY 73 -0.579 8.312 0.113 572 HA2 GLY 73 2HA GLY 73 -2.400 9.725 -1.627 573 HA3 GLY 73 1HA GLY 73 -2.267 7.982 -1.445 574 H THR 74 H THR 74 -2.655 7.820 1.352 575 HA THR 74 HA THR 74 -5.487 7.848 1.458 576 HB THR 74 HB THR 74 -3.448 7.506 3.668 577 HG1 THR 74 1HG THR 74 -3.932 5.294 3.350 578 HG21 THR 74 3HG2 THR 74 -5.958 6.153 4.073 579 HG22 THR 74 1HG2 THR 74 -6.173 7.901 3.993 580 HG23 THR 74 2HG2 THR 74 -5.052 7.204 5.162 581 H LEU 75 H LEU 75 -2.995 9.908 2.919 582 HA LEU 75 HA LEU 75 -5.001 11.636 4.106 583 HB2 LEU 75 2HB LEU 75 -2.478 10.987 4.851 584 HB3 LEU 75 1HB LEU 75 -2.182 12.511 4.035 585 HG LEU 75 HG LEU 75 -4.015 12.063 6.389 586 HD11 LEU 75 1HD1 LEU 75 -1.391 13.506 6.077 587 HD12 LEU 75 2HD1 LEU 75 -1.716 12.074 7.053 588 HD13 LEU 75 3HD1 LEU 75 -2.429 13.624 7.497 589 HD21 LEU 75 3HD2 LEU 75 -3.381 14.681 5.045 590 HD22 LEU 75 1HD2 LEU 75 -4.561 14.367 6.319 591 HD23 LEU 75 2HD2 LEU 75 -4.831 13.741 4.693 592 H ARG 76 H ARG 76 -2.201 12.283 1.990 593 HA ARG 76 HA ARG 76 -1.878 13.779 0.308 594 HB2 ARG 76 2HB ARG 76 -4.211 12.434 -0.277 595 HB3 ARG 76 1HB ARG 76 -4.698 14.119 -0.407 596 HG2 ARG 76 2HG ARG 76 -2.915 14.530 -2.008 597 HG3 ARG 76 1HG ARG 76 -2.380 12.854 -1.856 598 HD2 ARG 76 2HD ARG 76 -3.687 12.603 -3.690 599 HD3 ARG 76 1HD ARG 76 -4.945 12.425 -2.467 600 HE ARG 76 HE ARG 76 -5.844 14.420 -3.145 601 HH11 ARG 76 1HH1 ARG 76 -2.633 14.108 -4.475 602 HH12 ARG 76 2HH1 ARG 76 -2.784 15.500 -5.494 603 HH21 ARG 76 1HH2 ARG 76 -6.045 16.251 -4.487 604 HH22 ARG 76 2HH2 ARG 76 -4.720 16.717 -5.501 605 H TYR 77 H TYR 77 -2.852 15.971 -0.625 606 HA TYR 77 HA TYR 77 -3.226 18.180 -0.239 607 HB2 TYR 77 2HB TYR 77 -5.274 16.781 1.157 608 HB3 TYR 77 1HB TYR 77 -4.769 18.132 2.166 609 HD1 TYR 77 2HD TYR 77 -6.192 17.190 -1.098 610 HD2 TYR 77 1HD TYR 77 -5.250 20.395 1.537 611 HE1 TYR 77 2HE TYR 77 -7.552 18.709 -2.470 612 HE2 TYR 77 1HE TYR 77 -6.608 21.924 0.172 613 HH TYR 77 HH TYR 77 -7.426 22.064 -2.173 614 H LYS 78 H LYS 78 -1.231 18.922 0.304 615 HA LYS 78 HA LYS 78 -0.542 18.933 3.170 616 HB2 LYS 78 2HB LYS 78 1.827 19.363 2.273 617 HB3 LYS 78 1HB LYS 78 1.173 17.738 2.115 618 HG2 LYS 78 2HG LYS 78 0.765 19.606 -0.149 619 HG3 LYS 78 1HG LYS 78 2.392 18.979 0.119 620 HD2 LYS 78 2HD LYS 78 1.551 16.698 0.021 621 HD3 LYS 78 1HD LYS 78 -0.098 17.299 -0.179 622 HE2 LYS 78 2HE LYS 78 0.916 16.590 -2.309 623 HE3 LYS 78 1HE LYS 78 0.481 18.297 -2.302 624 HZ1 LYS 78 3HZ LYS 78 2.590 18.889 -2.602 625 HZ2 LYS 78 1HZ LYS 78 2.905 17.272 -2.987 626 HZ3 LYS 78 2HZ LYS 78 3.166 17.835 -1.413 627 H VAL 79 H VAL 79 -0.764 20.838 0.230 628 HA VAL 79 HA VAL 79 -0.565 23.272 1.873 629 HB VAL 79 HB VAL 79 1.496 23.025 0.560 630 HG11 VAL 79 1HG1 VAL 79 0.015 21.872 -1.349 631 HG12 VAL 79 2HG1 VAL 79 1.589 22.601 -1.660 632 HG13 VAL 79 3HG1 VAL 79 0.114 23.505 -2.007 633 HG21 VAL 79 3HG2 VAL 79 1.545 25.226 -0.369 634 HG22 VAL 79 1HG2 VAL 79 0.496 25.264 1.049 635 HG23 VAL 79 2HG2 VAL 79 -0.207 25.240 -0.568 636 H ILE 80 H ILE 80 -1.689 25.138 0.984 637 HA ILE 80 HA ILE 80 -3.691 24.580 -1.065 638 HB ILE 80 HB ILE 80 -4.525 25.705 1.605 639 HG12 ILE 80 2HG1 ILE 80 -4.891 22.894 0.543 640 HG13 ILE 80 1HG1 ILE 80 -3.832 23.358 1.872 641 HG21 ILE 80 1HG2 ILE 80 -5.765 26.183 -0.620 642 HG22 ILE 80 2HG2 ILE 80 -6.692 25.699 0.800 643 HG23 ILE 80 3HG2 ILE 80 -6.331 24.520 -0.461 644 HD11 ILE 80 3HD1 ILE 80 -5.635 22.621 3.038 645 HD12 ILE 80 1HD1 ILE 80 -6.783 23.108 1.793 646 HD13 ILE 80 2HD1 ILE 80 -6.076 24.319 2.862 647 H GLN 81 H GLN 81 -4.276 26.351 -2.235 648 HA GLN 81 HA GLN 81 -4.182 28.455 -3.092 649 HB2 GLN 81 2HB GLN 81 -5.034 28.763 -0.530 650 HB3 GLN 81 1HB GLN 81 -3.592 29.771 -0.517 651 HG2 GLN 81 2HG GLN 81 -5.256 30.216 -2.858 652 HG3 GLN 81 1HG GLN 81 -6.102 30.527 -1.342 653 HE21 GLN 81 1HE2 GLN 81 -6.189 32.730 -1.661 654 HE22 GLN 81 2HE2 GLN 81 -4.794 33.745 -1.561 655 H GLN 82 H GLN 82 -2.469 28.896 -4.304 656 HA GLN 82 HA GLN 82 -0.101 30.027 -3.103 657 HB2 GLN 82 2HB GLN 82 -0.033 27.332 -3.393 658 HB3 GLN 82 1HB GLN 82 0.575 27.834 -4.966 659 HG2 GLN 82 2HG GLN 82 2.294 29.191 -3.831 660 HG3 GLN 82 1HG GLN 82 1.713 28.583 -2.281 661 HE21 GLN 82 1HE2 GLN 82 2.518 27.185 -5.447 662 HE22 GLN 82 2HE2 GLN 82 3.524 25.925 -4.825 663 H GLN 83 H GLN 83 1.481 30.724 -4.819 664 HA GLN 83 HA GLN 83 0.071 32.120 -6.865 665 HB2 GLN 83 2HB GLN 83 2.692 32.180 -5.679 666 HB3 GLN 83 1HB GLN 83 2.838 32.203 -7.430 667 HG2 GLN 83 2HG GLN 83 2.727 34.441 -6.904 668 HG3 GLN 83 1HG GLN 83 1.057 34.065 -7.326 669 HE21 GLN 83 1HE2 GLN 83 2.272 36.147 -5.584 670 HE22 GLN 83 2HE2 GLN 83 1.465 35.987 -4.065 671 H GLY 84 H GLY 84 0.727 32.057 -9.178 672 HA2 GLY 84 2HA GLY 84 1.053 29.249 -10.024 673 HA3 GLY 84 1HA GLY 84 0.195 30.481 -10.938 674 H TYR 85 H TYR 85 1.612 29.605 -12.674 675 HA TYR 85 HA TYR 85 3.872 31.354 -13.013 676 HB2 TYR 85 2HB TYR 85 4.453 28.954 -11.830 677 HB3 TYR 85 1HB TYR 85 4.690 28.576 -13.533 678 HD1 TYR 85 1HD TYR 85 5.411 31.617 -11.477 679 HD2 TYR 85 2HD TYR 85 6.946 28.571 -14.021 680 HE1 TYR 85 1HE TYR 85 7.631 32.672 -11.393 681 HE2 TYR 85 2HE TYR 85 9.170 29.617 -13.942 682 HH TYR 85 HH TYR 85 10.437 31.134 -12.402 683 H ARG 86 H ARG 86 4.443 31.632 -15.157 684 HA ARG 86 HA ARG 86 2.588 30.427 -17.080 685 HB2 ARG 86 2HB ARG 86 2.914 32.972 -16.808 686 HB3 ARG 86 1HB ARG 86 4.438 32.729 -17.650 687 HG2 ARG 86 2HG ARG 86 2.358 31.419 -19.099 688 HG3 ARG 86 1HG ARG 86 1.870 33.079 -18.752 689 HD2 ARG 86 2HD ARG 86 3.712 33.977 -19.877 690 HD3 ARG 86 1HD ARG 86 4.593 32.448 -19.840 691 HE ARG 86 HE ARG 86 2.152 32.321 -21.344 692 HH11 ARG 86 1HH1 ARG 86 5.535 33.166 -21.473 693 HH12 ARG 86 2HH1 ARG 86 5.654 32.940 -23.187 694 HH21 ARG 86 1HH2 ARG 86 2.306 32.021 -23.595 695 HH22 ARG 86 2HH2 ARG 86 3.822 32.290 -24.391 696 H GLY 87 H GLY 87 3.312 28.718 -18.158 697 HA2 GLY 87 2HA GLY 87 5.820 28.812 -19.556 698 HA3 GLY 87 1HA GLY 87 5.837 27.675 -18.215 699 H LYS 88 H LYS 88 3.298 28.511 -20.563 700 HA LYS 88 HA LYS 88 2.864 25.669 -21.040 701 HB2 LYS 88 2HB LYS 88 0.975 27.288 -20.601 702 HB3 LYS 88 1HB LYS 88 1.310 27.996 -22.174 703 HG2 LYS 88 2HG LYS 88 1.008 25.112 -22.307 704 HG3 LYS 88 1HG LYS 88 -0.417 25.915 -21.644 705 HD2 LYS 88 2HD LYS 88 -0.997 26.262 -23.779 706 HD3 LYS 88 1HD LYS 88 0.236 27.523 -23.769 707 HE2 LYS 88 2HE LYS 88 1.045 26.377 -25.533 708 HE3 LYS 88 1HE LYS 88 1.765 25.363 -24.281 709 HZ1 LYS 88 3HZ LYS 88 -0.944 24.674 -25.078 710 HZ2 LYS 88 1HZ LYS 88 0.373 23.670 -24.731 711 HZ3 LYS 88 2HZ LYS 88 0.251 24.413 -26.246 712 H ASN 89 H ASN 89 4.649 25.106 -22.294 713 HA ASN 89 HA ASN 89 4.751 26.338 -24.969 714 HB2 ASN 89 2HB ASN 89 6.795 26.277 -23.204 715 HB3 ASN 89 1HB ASN 89 7.071 24.749 -24.036 716 HD21 ASN 89 1HD2 ASN 89 8.744 25.138 -25.318 717 HD22 ASN 89 2HD2 ASN 89 8.843 26.417 -26.475 718 H SER 90 H SER 90 5.832 23.272 -23.501 719 HA SER 90 HA SER 90 4.109 21.752 -25.260 720 HB2 SER 90 2HB SER 90 7.015 22.056 -25.744 721 HB3 SER 90 1HB SER 90 6.389 20.410 -25.836 722 HG SER 90 HG SER 90 5.169 22.571 -27.194 723 H VAL 91 H VAL 91 3.335 20.111 -24.118 724 HA VAL 91 HA VAL 91 4.520 19.390 -21.594 725 HB VAL 91 HB VAL 91 2.183 18.063 -22.968 726 HG11 VAL 91 1HG1 VAL 91 3.204 18.101 -20.144 727 HG12 VAL 91 2HG1 VAL 91 2.902 16.711 -21.186 728 HG13 VAL 91 3HG1 VAL 91 1.548 17.640 -20.542 729 HG21 VAL 91 3HG2 VAL 91 0.717 19.587 -21.877 730 HG22 VAL 91 1HG2 VAL 91 1.933 20.552 -22.715 731 HG23 VAL 91 2HG2 VAL 91 2.046 20.312 -20.972 732 H ALA 92 H ALA 92 4.348 18.051 -24.817 733 HA ALA 92 HA ALA 92 5.100 15.404 -24.228 734 HB1 ALA 92 1HB ALA 92 4.151 16.191 -26.392 735 HB2 ALA 92 2HB ALA 92 5.584 15.175 -26.561 736 HB3 ALA 92 3HB ALA 92 5.715 16.923 -26.756 737 H ALA 93 H ALA 93 7.069 14.379 -24.145 738 HA ALA 93 HA ALA 93 9.546 15.584 -24.758 739 HB1 ALA 93 1HB ALA 93 9.198 16.981 -22.852 740 HB2 ALA 93 2HB ALA 93 10.417 15.781 -22.423 741 HB3 ALA 93 3HB ALA 93 8.761 15.598 -21.851 742 H ARG 94 H ARG 94 11.387 14.289 -23.518 743 HA ARG 94 HA ARG 94 10.583 11.455 -23.604 744 HB2 ARG 94 2HB ARG 94 13.347 12.558 -24.118 745 HB3 ARG 94 1HB ARG 94 12.784 10.917 -24.401 746 HG2 ARG 94 2HG ARG 94 11.545 11.534 -26.272 747 HG3 ARG 94 1HG ARG 94 11.541 13.240 -25.822 748 HD2 ARG 94 2HD ARG 94 13.995 13.287 -26.207 749 HD3 ARG 94 1HD ARG 94 13.896 11.627 -26.791 750 HE ARG 94 HE ARG 94 12.099 12.931 -28.334 751 HH11 ARG 94 1HH1 ARG 94 15.452 13.519 -27.564 752 HH12 ARG 94 2HH1 ARG 94 15.797 14.279 -29.081 753 HH21 ARG 94 1HH2 ARG 94 12.551 13.931 -30.330 754 HH22 ARG 94 2HH2 ARG 94 14.151 14.514 -30.651 755 H SER 95 H SER 95 10.612 13.335 -21.283 756 HA SER 95 HA SER 95 11.520 11.586 -19.318 757 HB2 SER 95 2HB SER 95 13.770 11.948 -19.652 758 HB3 SER 95 1HB SER 95 13.528 13.593 -20.239 759 HG SER 95 HG SER 95 14.298 12.904 -17.860 760 HA PRO 96 HA PRO 96 10.495 15.784 -17.193 761 HB2 PRO 96 2HB PRO 96 10.181 17.981 -18.757 762 HB3 PRO 96 1HB PRO 96 11.743 17.500 -18.081 763 HG2 PRO 96 2HG PRO 96 10.646 17.039 -20.830 764 HG3 PRO 96 1HG PRO 96 12.272 17.552 -20.346 765 HD2 PRO 96 2HD PRO 96 11.701 14.999 -21.032 766 HD3 PRO 96 1HD PRO 96 12.930 15.407 -19.820 767 H GLU 97 H GLU 97 8.585 14.333 -17.279 768 HA GLU 97 HA GLU 97 6.425 15.241 -19.022 769 HB2 GLU 97 2HB GLU 97 6.993 12.775 -18.593 770 HB3 GLU 97 1HB GLU 97 6.260 13.006 -17.011 771 HG2 GLU 97 2HG GLU 97 4.142 13.423 -17.936 772 HG3 GLU 97 1HG GLU 97 4.805 13.652 -19.553 773 H LYS 98 H LYS 98 6.709 14.411 -15.561 774 HA LYS 98 HA LYS 98 5.064 16.766 -14.944 775 HB2 LYS 98 2HB LYS 98 4.077 14.204 -14.835 776 HB3 LYS 98 1HB LYS 98 4.604 14.467 -13.179 777 HG2 LYS 98 2HG LYS 98 3.136 16.736 -14.223 778 HG3 LYS 98 1HG LYS 98 2.199 15.243 -14.292 779 HD2 LYS 98 2HD LYS 98 1.715 15.599 -12.141 780 HD3 LYS 98 1HD LYS 98 3.387 15.160 -11.793 781 HE2 LYS 98 2HE LYS 98 2.626 17.335 -10.800 782 HE3 LYS 98 1HE LYS 98 4.073 17.435 -11.803 783 HZ1 LYS 98 3HZ LYS 98 1.479 17.902 -13.076 784 HZ2 LYS 98 1HZ LYS 98 2.988 18.588 -13.419 785 HZ3 LYS 98 2HZ LYS 98 2.100 19.120 -12.080 786 H ALA 99 H ALA 99 5.564 17.830 -13.058 787 HA ALA 99 HA ALA 99 6.832 18.540 -11.306 788 HB1 ALA 99 1HB ALA 99 7.922 15.877 -10.668 789 HB2 ALA 99 2HB ALA 99 6.163 16.009 -10.677 790 HB3 ALA 99 3HB ALA 99 7.122 17.058 -9.631 791 H SER 100 H SER 100 8.551 19.713 -11.838 792 HA SER 100 HA SER 100 11.135 18.570 -12.070 793 HB2 SER 100 2HB SER 100 10.176 18.085 -14.357 794 HB3 SER 100 1HB SER 100 10.100 19.828 -14.617 795 HG SER 100 HG SER 100 12.488 18.510 -13.869 796 H ASN 101 H ASN 101 12.004 20.021 -10.713 797 HA ASN 101 HA ASN 101 12.303 22.746 -11.624 798 HB2 ASN 101 2HB ASN 101 11.502 23.714 -9.462 799 HB3 ASN 101 1HB ASN 101 10.222 22.993 -10.431 800 HD21 ASN 101 1HD2 ASN 101 10.848 23.453 -7.436 801 HD22 ASN 101 2HD2 ASN 101 10.400 21.948 -6.715 802 H MET 102 H MET 102 13.638 24.012 -9.914 803 HA MET 102 HA MET 102 15.623 22.181 -8.738 804 HB2 MET 102 2HB MET 102 16.067 23.899 -10.842 805 HB3 MET 102 1HB MET 102 16.613 24.844 -9.463 806 HG2 MET 102 2HG MET 102 17.554 22.073 -9.474 807 HG3 MET 102 1HG MET 102 18.121 23.046 -10.830 808 HE1 MET 102 3HE MET 102 21.291 23.690 -9.313 809 HE2 MET 102 1HE MET 102 20.308 22.624 -10.317 810 HE3 MET 102 2HE MET 102 20.681 22.172 -8.652 811 H GLU 103 H GLU 103 13.309 23.350 -7.449 812 HA GLU 103 HA GLU 103 14.431 25.408 -5.709 813 HB2 GLU 103 2HB GLU 103 11.949 25.150 -6.744 814 HB3 GLU 103 1HB GLU 103 11.712 24.355 -5.194 815 HG2 GLU 103 2HG GLU 103 12.707 26.410 -4.125 816 HG3 GLU 103 1HG GLU 103 12.588 27.180 -5.707 817 H ASN 104 H ASN 104 15.759 24.553 -4.215 818 HA ASN 104 HA ASN 104 14.685 22.378 -2.544 819 HB2 ASN 104 2HB ASN 104 17.262 22.583 -3.947 820 HB3 ASN 104 1HB ASN 104 17.398 22.123 -2.252 821 HD21 ASN 104 1HD2 ASN 104 15.160 21.388 -4.911 822 HD22 ASN 104 2HD2 ASN 104 15.227 19.673 -4.716 823 H ASN 105 H ASN 105 15.815 22.288 -0.367 824 HA ASN 105 HA ASN 105 16.209 25.036 0.620 825 HB2 ASN 105 2HB ASN 105 14.174 23.607 1.389 826 HB3 ASN 105 1HB ASN 105 15.357 22.756 2.377 827 HD21 ASN 105 1HD2 ASN 105 14.354 26.062 1.580 828 HD22 ASN 105 2HD2 ASN 105 14.518 26.681 3.184 829 H GLU 106 H GLU 106 18.342 25.349 0.803 830 HA GLU 106 HA GLU 106 20.262 23.353 1.259 831 HB2 GLU 106 2HB GLU 106 20.219 26.207 0.912 832 HB3 GLU 106 1HB GLU 106 21.302 25.793 2.235 833 HG2 GLU 106 2HG GLU 106 22.747 25.686 0.483 834 HG3 GLU 106 1HG GLU 106 22.191 24.013 0.524 Start of MODEL 8 1 H1 GLY 1 1HT GLY 1 -49.255 -16.368 18.982 2 H2 GLY 1 2HT GLY 1 -48.727 -16.373 20.589 3 H3 GLY 1 3HT GLY 1 -48.168 -17.551 19.511 4 HA2 GLY 1 1HA GLY 1 -47.553 -15.136 18.329 5 HA3 GLY 1 2HA GLY 1 -47.142 -14.954 20.027 6 HA PRO 2 HA PRO 2 -44.429 -18.492 18.053 7 HB2 PRO 2 2HB PRO 2 -43.844 -18.059 15.437 8 HB3 PRO 2 1HB PRO 2 -45.206 -19.054 15.966 9 HG2 PRO 2 2HG PRO 2 -45.184 -16.204 15.050 10 HG3 PRO 2 1HG PRO 2 -46.324 -17.499 14.643 11 HD2 PRO 2 2HD PRO 2 -46.879 -15.602 16.492 12 HD3 PRO 2 1HD PRO 2 -47.489 -17.265 16.620 13 H GLY 3 H GLY 3 -42.148 -18.311 16.933 14 HA2 GLY 3 2HA GLY 3 -40.806 -16.008 16.392 15 HA3 GLY 3 1HA GLY 3 -40.866 -16.036 18.148 16 H SER 4 H SER 4 -40.537 -18.697 18.701 17 HA SER 4 HA SER 4 -38.961 -20.313 18.972 18 HB2 SER 4 2HB SER 4 -38.706 -19.576 16.118 19 HB3 SER 4 1HB SER 4 -37.319 -20.413 16.815 20 HG SER 4 HG SER 4 -38.985 -21.797 15.911 21 H LEU 5 H LEU 5 -36.994 -18.143 16.969 22 HA LEU 5 HA LEU 5 -35.547 -17.178 19.290 23 HB2 LEU 5 2HB LEU 5 -34.623 -19.474 18.246 24 HB3 LEU 5 1HB LEU 5 -33.803 -18.338 17.193 25 HG LEU 5 HG LEU 5 -32.389 -18.987 19.074 26 HD11 LEU 5 1HD1 LEU 5 -31.496 -16.931 19.308 27 HD12 LEU 5 2HD1 LEU 5 -33.027 -16.202 19.797 28 HD13 LEU 5 3HD1 LEU 5 -32.699 -16.506 18.091 29 HD21 LEU 5 3HD2 LEU 5 -34.199 -17.540 20.957 30 HD22 LEU 5 1HD2 LEU 5 -32.955 -18.743 21.296 31 HD23 LEU 5 2HD2 LEU 5 -34.493 -19.239 20.590 32 H SER 6 H SER 6 -35.742 -15.064 18.869 33 HA SER 6 HA SER 6 -35.512 -13.044 17.852 34 HB2 SER 6 2HB SER 6 -33.361 -14.696 16.645 35 HB3 SER 6 1HB SER 6 -33.764 -13.197 15.808 36 HG SER 6 HG SER 6 -33.424 -12.102 17.800 37 H ASN 7 H ASN 7 -37.567 -12.830 17.026 38 HA ASN 7 HA ASN 7 -37.770 -13.025 14.138 39 HB2 ASN 7 2HB ASN 7 -38.590 -15.224 15.116 40 HB3 ASN 7 1HB ASN 7 -39.910 -14.307 15.837 41 HD21 ASN 7 1HD2 ASN 7 -41.670 -14.764 14.730 42 HD22 ASN 7 2HD2 ASN 7 -41.819 -14.749 13.010 43 H PHE 8 H PHE 8 -37.656 -10.883 16.095 44 HA PHE 8 HA PHE 8 -40.258 -9.624 15.532 45 HB2 PHE 8 2HB PHE 8 -39.687 -10.281 18.003 46 HB3 PHE 8 1HB PHE 8 -38.657 -8.853 17.945 47 HD1 PHE 8 2HD PHE 8 -39.888 -6.719 16.907 48 HD2 PHE 8 1HD PHE 8 -41.813 -10.007 18.802 49 HE1 PHE 8 2HE PHE 8 -41.833 -5.292 17.395 50 HE2 PHE 8 1HE PHE 8 -43.762 -8.588 19.293 51 HZ PHE 8 HZ PHE 8 -43.773 -6.227 18.590 52 H ALA 9 H ALA 9 -36.823 -9.069 16.220 53 HA ALA 9 HA ALA 9 -36.867 -6.838 14.325 54 HB1 ALA 9 1HB ALA 9 -35.255 -6.372 16.755 55 HB2 ALA 9 2HB ALA 9 -37.005 -6.251 16.937 56 HB3 ALA 9 3HB ALA 9 -36.169 -5.237 15.762 57 H ASN 10 H ASN 10 -35.396 -7.295 12.837 58 HA ASN 10 HA ASN 10 -33.300 -9.181 13.268 59 HB2 ASN 10 2HB ASN 10 -33.634 -7.262 10.954 60 HB3 ASN 10 1HB ASN 10 -32.671 -8.736 10.971 61 HD21 ASN 10 1HD2 ASN 10 -35.013 -7.803 9.350 62 HD22 ASN 10 2HD2 ASN 10 -36.154 -9.097 9.454 63 H VAL 11 H VAL 11 -31.439 -8.798 14.252 64 HA VAL 11 HA VAL 11 -29.566 -7.765 15.032 65 HB VAL 11 HB VAL 11 -29.988 -5.742 12.831 66 HG11 VAL 11 1HG1 VAL 11 -27.458 -5.708 12.934 67 HG12 VAL 11 2HG1 VAL 11 -27.602 -6.603 14.447 68 HG13 VAL 11 3HG1 VAL 11 -28.304 -4.992 14.307 69 HG21 VAL 11 3HG2 VAL 11 -29.157 -8.572 12.735 70 HG22 VAL 11 1HG2 VAL 11 -28.176 -7.442 11.804 71 HG23 VAL 11 2HG2 VAL 11 -29.907 -7.565 11.497 72 H GLY 12 H GLY 12 -29.758 -6.834 16.961 73 HA2 GLY 12 2HA GLY 12 -31.506 -4.512 17.283 74 HA3 GLY 12 1HA GLY 12 -30.812 -5.475 18.579 75 H VAL 13 H VAL 13 -29.782 -3.970 19.772 76 HA VAL 13 HA VAL 13 -28.395 -1.746 18.706 77 HB VAL 13 HB VAL 13 -27.982 -3.003 21.423 78 HG11 VAL 13 1HG1 VAL 13 -27.389 -0.289 20.274 79 HG12 VAL 13 2HG1 VAL 13 -26.281 -1.419 21.052 80 HG13 VAL 13 3HG1 VAL 13 -27.497 -0.577 22.011 81 HG21 VAL 13 3HG2 VAL 13 -29.754 -0.673 21.194 82 HG22 VAL 13 1HG2 VAL 13 -29.911 -2.128 22.178 83 HG23 VAL 13 2HG2 VAL 13 -30.387 -2.157 20.479 84 H GLY 14 H GLY 14 -27.447 -5.021 19.474 85 HA2 GLY 14 2HA GLY 14 -24.638 -4.598 19.471 86 HA3 GLY 14 1HA GLY 14 -25.451 -6.141 19.252 87 H THR 15 H THR 15 -23.754 -3.599 17.743 88 HA THR 15 HA THR 15 -24.513 -4.419 15.052 89 HB THR 15 HB THR 15 -24.262 -2.021 15.552 90 HG1 THR 15 1HG THR 15 -22.199 -2.866 13.809 91 HG21 THR 15 3HG2 THR 15 -21.776 -1.251 15.605 92 HG22 THR 15 1HG2 THR 15 -21.508 -2.836 16.331 93 HG23 THR 15 2HG2 THR 15 -22.607 -1.690 17.099 94 H SER 16 H SER 16 -22.746 -4.784 13.446 95 HA SER 16 HA SER 16 -21.001 -6.028 12.681 96 HB2 SER 16 2HB SER 16 -19.565 -4.435 13.775 97 HB3 SER 16 1HB SER 16 -19.829 -5.198 15.344 98 HG SER 16 HG SER 16 -17.975 -6.091 14.734 99 H SER 17 H SER 17 -21.550 -8.100 12.448 100 HA SER 17 HA SER 17 -21.742 -9.796 14.836 101 HB2 SER 17 2HB SER 17 -23.670 -9.634 13.156 102 HB3 SER 17 1HB SER 17 -22.640 -10.552 12.058 103 HG SER 17 HG SER 17 -23.694 -12.116 13.088 104 H GLY 18 H GLY 18 -19.202 -8.979 13.685 105 HA2 GLY 18 2HA GLY 18 -18.218 -11.466 12.472 106 HA3 GLY 18 1HA GLY 18 -17.367 -9.929 12.502 107 H LYS 19 H LYS 19 -15.484 -10.906 13.306 108 HA LYS 19 HA LYS 19 -15.548 -11.327 16.192 109 HB2 LYS 19 2HB LYS 19 -15.633 -13.536 14.718 110 HB3 LYS 19 1HB LYS 19 -13.902 -13.247 14.613 111 HG2 LYS 19 2HG LYS 19 -13.548 -13.700 16.812 112 HG3 LYS 19 1HG LYS 19 -15.152 -13.148 17.299 113 HD2 LYS 19 2HD LYS 19 -15.213 -15.475 17.593 114 HD3 LYS 19 1HD LYS 19 -16.038 -15.199 16.057 115 HE2 LYS 19 2HE LYS 19 -13.971 -15.746 14.858 116 HE3 LYS 19 1HE LYS 19 -13.159 -16.033 16.397 117 HZ1 LYS 19 3HZ LYS 19 -14.202 -17.989 15.036 118 HZ2 LYS 19 1HZ LYS 19 -15.622 -17.513 15.825 119 HZ3 LYS 19 2HZ LYS 19 -14.268 -17.980 16.726 120 H GLN 20 H GLN 20 -13.197 -11.716 13.536 121 HA GLN 20 HA GLN 20 -11.325 -10.033 15.039 122 HB2 GLN 20 2HB GLN 20 -10.812 -11.788 12.631 123 HB3 GLN 20 1HB GLN 20 -9.594 -10.950 13.583 124 HG2 GLN 20 2HG GLN 20 -11.419 -13.092 14.649 125 HG3 GLN 20 1HG GLN 20 -9.771 -13.362 14.086 126 HE21 GLN 20 1HE2 GLN 20 -8.182 -11.707 15.123 127 HE22 GLN 20 2HE2 GLN 20 -8.312 -11.561 16.840 128 H LYS 21 H LYS 21 -10.154 -8.353 13.982 129 HA LYS 21 HA LYS 21 -10.622 -7.493 11.352 130 HB2 LYS 21 2HB LYS 21 -12.899 -7.076 12.413 131 HB3 LYS 21 1HB LYS 21 -12.117 -5.828 13.373 132 HG2 LYS 21 2HG LYS 21 -11.550 -4.584 11.403 133 HG3 LYS 21 1HG LYS 21 -12.135 -5.885 10.363 134 HD2 LYS 21 2HD LYS 21 -14.313 -5.336 10.676 135 HD3 LYS 21 1HD LYS 21 -14.052 -4.809 12.340 136 HE2 LYS 21 2HE LYS 21 -14.672 -2.965 10.799 137 HE3 LYS 21 1HE LYS 21 -13.117 -2.727 11.595 138 HZ1 LYS 21 3HZ LYS 21 -12.003 -2.893 9.661 139 HZ2 LYS 21 1HZ LYS 21 -13.486 -2.436 8.982 140 HZ3 LYS 21 2HZ LYS 21 -13.037 -4.066 9.017 141 H ARG 22 H ARG 22 -8.384 -7.780 12.954 142 HA ARG 22 HA ARG 22 -7.235 -5.152 12.728 143 HB2 ARG 22 2HB ARG 22 -8.322 -5.807 15.193 144 HB3 ARG 22 1HB ARG 22 -6.614 -6.176 15.389 145 HG2 ARG 22 2HG ARG 22 -6.338 -4.023 15.850 146 HG3 ARG 22 1HG ARG 22 -6.598 -3.721 14.132 147 HD2 ARG 22 2HD ARG 22 -8.668 -2.886 14.459 148 HD3 ARG 22 1HD ARG 22 -9.038 -4.029 15.749 149 HE ARG 22 HE ARG 22 -7.978 -1.379 16.036 150 HH11 ARG 22 1HH1 ARG 22 -8.188 -4.537 17.509 151 HH12 ARG 22 2HH1 ARG 22 -7.927 -3.942 19.115 152 HH21 ARG 22 1HH2 ARG 22 -7.634 -0.596 18.147 153 HH22 ARG 22 2HH2 ARG 22 -7.613 -1.706 19.478 154 H TYR 23 H TYR 23 -6.848 -7.796 11.577 155 HA TYR 23 HA TYR 23 -4.114 -8.367 12.516 156 HB2 TYR 23 2HB TYR 23 -4.479 -10.598 11.310 157 HB3 TYR 23 1HB TYR 23 -5.348 -10.347 12.819 158 HD1 TYR 23 1HD TYR 23 -7.790 -9.667 12.702 159 HD2 TYR 23 2HD TYR 23 -5.631 -11.075 9.317 160 HE1 TYR 23 1HE TYR 23 -9.911 -10.172 11.567 161 HE2 TYR 23 2HE TYR 23 -7.746 -11.582 8.171 162 HH TYR 23 HH TYR 23 -10.508 -10.385 8.791 163 H LYS 24 H LYS 24 -6.082 -8.466 9.533 164 HA LYS 24 HA LYS 24 -4.059 -7.031 8.077 165 HB2 LYS 24 2HB LYS 24 -3.083 -9.240 7.953 166 HB3 LYS 24 1HB LYS 24 -4.619 -9.937 7.457 167 HG2 LYS 24 2HG LYS 24 -4.478 -9.064 5.322 168 HG3 LYS 24 1HG LYS 24 -3.330 -7.811 5.803 169 HD2 LYS 24 2HD LYS 24 -1.719 -9.138 5.017 170 HD3 LYS 24 1HD LYS 24 -2.033 -10.196 6.394 171 HE2 LYS 24 2HE LYS 24 -3.536 -10.390 3.792 172 HE3 LYS 24 1HE LYS 24 -2.057 -11.295 4.117 173 HZ1 LYS 24 3HZ LYS 24 -4.301 -12.407 4.582 174 HZ2 LYS 24 1HZ LYS 24 -4.348 -11.440 5.971 175 HZ3 LYS 24 2HZ LYS 24 -3.087 -12.546 5.752 176 H PHE 25 H PHE 25 -4.761 -6.275 6.090 177 HA PHE 25 HA PHE 25 -7.059 -6.971 4.716 178 HB2 PHE 25 2HB PHE 25 -7.767 -5.802 7.131 179 HB3 PHE 25 1HB PHE 25 -7.892 -4.482 5.975 180 HD1 PHE 25 1HD PHE 25 -9.376 -4.742 3.981 181 HD2 PHE 25 2HD PHE 25 -9.372 -7.521 7.205 182 HE1 PHE 25 1HE PHE 25 -11.567 -5.586 3.250 183 HE2 PHE 25 2HE PHE 25 -11.564 -8.370 6.480 184 HZ PHE 25 HZ PHE 25 -12.664 -7.405 4.499 185 H SER 26 H SER 26 -7.679 -5.321 3.093 186 HA SER 26 HA SER 26 -5.347 -3.992 2.106 187 HB2 SER 26 2HB SER 26 -6.627 -3.478 0.191 188 HB3 SER 26 1HB SER 26 -7.296 -5.014 0.743 189 HG SER 26 HG SER 26 -8.943 -3.777 1.806 190 H ALA 27 H ALA 27 -5.733 -3.031 4.584 191 HA ALA 27 HA ALA 27 -5.563 -0.323 4.431 192 HB1 ALA 27 1HB ALA 27 -8.397 -1.240 4.698 193 HB2 ALA 27 2HB ALA 27 -7.731 0.068 3.720 194 HB3 ALA 27 3HB ALA 27 -7.873 0.259 5.468 195 H SER 28 H SER 28 -6.449 -3.181 6.211 196 HA SER 28 HA SER 28 -6.624 -2.259 8.805 197 HB2 SER 28 2HB SER 28 -7.037 -4.553 8.501 198 HB3 SER 28 1HB SER 28 -5.512 -4.804 7.653 199 HG SER 28 HG SER 28 -5.965 -4.435 10.411 200 H GLU 29 H GLU 29 -3.695 -3.076 6.994 201 HA GLU 29 HA GLU 29 -1.878 -2.503 9.073 202 HB2 GLU 29 2HB GLU 29 -0.160 -2.638 7.441 203 HB3 GLU 29 1HB GLU 29 -1.386 -3.796 6.956 204 HG2 GLU 29 2HG GLU 29 -1.137 -1.031 5.799 205 HG3 GLU 29 1HG GLU 29 -0.400 -2.469 5.098 206 H ASP 30 H ASP 30 -3.181 -0.528 6.444 207 HA ASP 30 HA ASP 30 -1.664 1.782 6.903 208 HB2 ASP 30 2HB ASP 30 -4.426 1.408 5.736 209 HB3 ASP 30 1HB ASP 30 -3.598 2.962 5.766 210 H GLU 31 H GLU 31 -4.635 0.600 8.356 211 HA GLU 31 HA GLU 31 -5.244 2.970 9.795 212 HB2 GLU 31 2HB GLU 31 -6.065 0.095 10.243 213 HB3 GLU 31 1HB GLU 31 -6.712 1.451 11.156 214 HG2 GLU 31 2HG GLU 31 -7.799 2.340 9.279 215 HG3 GLU 31 1HG GLU 31 -6.877 1.332 8.165 216 H ALA 32 H ALA 32 -3.173 0.232 10.384 217 HA ALA 32 HA ALA 32 -2.827 0.655 13.172 218 HB1 ALA 32 1HB ALA 32 -1.176 -0.823 11.132 219 HB2 ALA 32 2HB ALA 32 -2.297 -1.500 12.315 220 HB3 ALA 32 3HB ALA 32 -0.780 -0.777 12.850 221 H ILE 33 H ILE 33 -1.134 1.754 10.284 222 HA ILE 33 HA ILE 33 1.035 2.990 11.604 223 HB ILE 33 HB ILE 33 -0.120 4.014 9.027 224 HG12 ILE 33 2HG1 ILE 33 1.558 1.542 9.475 225 HG13 ILE 33 1HG1 ILE 33 -0.022 1.648 8.708 226 HG21 ILE 33 1HG2 ILE 33 2.782 3.726 9.550 227 HG22 ILE 33 2HG2 ILE 33 1.908 4.977 10.437 228 HG23 ILE 33 3HG2 ILE 33 1.904 4.980 8.673 229 HD11 ILE 33 3HD1 ILE 33 1.050 1.704 6.772 230 HD12 ILE 33 1HD1 ILE 33 2.607 1.951 7.565 231 HD13 ILE 33 2HD1 ILE 33 1.571 3.332 7.201 232 H ILE 34 H ILE 34 -2.012 4.305 10.360 233 HA ILE 34 HA ILE 34 -1.615 6.938 11.182 234 HB ILE 34 HB ILE 34 -3.384 6.381 9.630 235 HG12 ILE 34 2HG1 ILE 34 -5.300 7.597 10.721 236 HG13 ILE 34 1HG1 ILE 34 -4.395 7.550 12.231 237 HG21 ILE 34 1HG2 ILE 34 -5.399 5.203 10.333 238 HG22 ILE 34 2HG2 ILE 34 -4.704 4.964 11.936 239 HG23 ILE 34 3HG2 ILE 34 -3.963 4.199 10.531 240 HD11 ILE 34 3HD1 ILE 34 -4.154 9.344 9.986 241 HD12 ILE 34 1HD1 ILE 34 -2.608 8.602 10.398 242 HD13 ILE 34 2HD1 ILE 34 -3.515 9.489 11.624 243 H LYS 35 H LYS 35 -2.989 4.172 12.881 244 HA LYS 35 HA LYS 35 -3.756 5.651 15.200 245 HB2 LYS 35 2HB LYS 35 -4.662 3.384 14.449 246 HB3 LYS 35 1HB LYS 35 -3.182 2.690 15.095 247 HG2 LYS 35 2HG LYS 35 -3.919 2.804 17.191 248 HG3 LYS 35 1HG LYS 35 -4.508 4.454 16.986 249 HD2 LYS 35 2HD LYS 35 -5.938 1.968 16.049 250 HD3 LYS 35 1HD LYS 35 -6.315 2.864 17.521 251 HE2 LYS 35 2HE LYS 35 -7.375 4.506 16.403 252 HE3 LYS 35 1HE LYS 35 -6.222 4.481 15.070 253 HZ1 LYS 35 3HZ LYS 35 -8.641 3.713 14.679 254 HZ2 LYS 35 1HZ LYS 35 -8.129 2.264 15.387 255 HZ3 LYS 35 2HZ LYS 35 -7.374 2.833 13.985 256 H GLY 36 H GLY 36 -0.886 3.950 14.153 257 HA2 GLY 36 2HA GLY 36 0.435 3.893 16.664 258 HA3 GLY 36 1HA GLY 36 1.199 3.726 15.089 259 H LEU 37 H LEU 37 0.495 6.180 13.959 260 HA LEU 37 HA LEU 37 2.499 7.858 15.048 261 HB2 LEU 37 2HB LEU 37 0.316 8.669 13.134 262 HB3 LEU 37 1HB LEU 37 1.878 9.438 13.350 263 HG LEU 37 HG LEU 37 1.938 6.595 12.537 264 HD11 LEU 37 1HD1 LEU 37 0.377 6.940 10.940 265 HD12 LEU 37 2HD1 LEU 37 1.733 7.692 10.099 266 HD13 LEU 37 3HD1 LEU 37 0.572 8.692 10.973 267 HD21 LEU 37 3HD2 LEU 37 4.027 7.627 12.705 268 HD22 LEU 37 1HD2 LEU 37 3.457 9.109 11.935 269 HD23 LEU 37 2HD2 LEU 37 3.675 7.645 10.976 270 H ALA 38 H ALA 38 -1.029 7.867 15.225 271 HA ALA 38 HA ALA 38 -1.212 10.358 16.600 272 HB1 ALA 38 1HB ALA 38 -3.002 8.994 15.244 273 HB2 ALA 38 2HB ALA 38 -3.477 10.049 16.575 274 HB3 ALA 38 3HB ALA 38 -3.356 8.308 16.831 275 H ARG 39 H ARG 39 -0.306 7.234 17.615 276 HA ARG 39 HA ARG 39 -0.914 7.913 20.413 277 HB2 ARG 39 2HB ARG 39 -0.779 5.318 18.947 278 HB3 ARG 39 1HB ARG 39 -0.370 5.340 20.657 279 HG2 ARG 39 2HG ARG 39 -2.883 6.684 19.869 280 HG3 ARG 39 1HG ARG 39 -2.842 4.923 19.757 281 HD2 ARG 39 2HD ARG 39 -1.681 5.406 22.200 282 HD3 ARG 39 1HD ARG 39 -2.921 6.656 22.106 283 HE ARG 39 HE ARG 39 -3.905 4.068 21.383 284 HH11 ARG 39 1HH1 ARG 39 -3.177 6.161 24.079 285 HH12 ARG 39 2HH1 ARG 39 -4.305 5.390 25.142 286 HH21 ARG 39 1HH2 ARG 39 -5.388 3.053 22.781 287 HH22 ARG 39 2HH2 ARG 39 -5.561 3.626 24.406 288 H PHE 40 H PHE 40 1.620 7.306 18.156 289 HA PHE 40 HA PHE 40 3.590 6.854 20.248 290 HB2 PHE 40 2HB PHE 40 3.677 6.804 17.247 291 HB3 PHE 40 1HB PHE 40 5.164 6.862 18.185 292 HD1 PHE 40 2HD PHE 40 1.982 5.020 18.788 293 HD2 PHE 40 1HD PHE 40 6.156 4.792 17.991 294 HE1 PHE 40 2HE PHE 40 1.897 2.578 19.070 295 HE2 PHE 40 1HE PHE 40 6.080 2.349 18.270 296 HZ PHE 40 HZ PHE 40 3.948 1.239 18.810 297 H THR 41 H THR 41 4.171 8.833 17.394 298 HA THR 41 HA THR 41 5.222 10.848 17.185 299 HB THR 41 HB THR 41 4.037 12.637 18.699 300 HG1 THR 41 1HG THR 41 2.194 10.499 18.875 301 HG21 THR 41 3HG2 THR 41 3.395 12.820 16.523 302 HG22 THR 41 1HG2 THR 41 1.885 12.275 17.249 303 HG23 THR 41 2HG2 THR 41 2.920 11.126 16.405 304 H LYS 42 H LYS 42 6.697 9.189 18.810 305 HA LYS 42 HA LYS 42 7.513 10.796 21.113 306 HB2 LYS 42 2HB LYS 42 8.296 8.012 20.234 307 HB3 LYS 42 1HB LYS 42 8.939 8.817 21.659 308 HG2 LYS 42 2HG LYS 42 6.054 8.865 21.655 309 HG3 LYS 42 1HG LYS 42 6.669 7.217 21.505 310 HD2 LYS 42 2HD LYS 42 6.457 7.645 23.827 311 HD3 LYS 42 1HD LYS 42 8.181 7.734 23.461 312 HE2 LYS 42 2HE LYS 42 6.703 10.271 23.242 313 HE3 LYS 42 1HE LYS 42 6.826 9.604 24.868 314 HZ1 LYS 42 3HZ LYS 42 9.038 10.337 23.041 315 HZ2 LYS 42 1HZ LYS 42 9.274 9.411 24.438 316 HZ3 LYS 42 2HZ LYS 42 8.686 10.992 24.559 317 H GLY 43 H GLY 43 8.065 11.884 18.571 318 HA2 GLY 43 2HA GLY 43 10.613 12.811 18.782 319 HA3 GLY 43 1HA GLY 43 10.804 11.320 17.871 320 H GLN 44 H GLN 44 11.663 12.898 16.266 321 HA GLN 44 HA GLN 44 9.533 14.287 14.798 322 HB2 GLN 44 2HB GLN 44 12.524 14.539 14.442 323 HB3 GLN 44 1HB GLN 44 11.287 15.555 13.714 324 HG2 GLN 44 2HG GLN 44 11.854 15.349 16.662 325 HG3 GLN 44 1HG GLN 44 12.409 16.641 15.600 326 HE21 GLN 44 1HE2 GLN 44 11.248 18.409 15.731 327 HE22 GLN 44 2HE2 GLN 44 9.559 18.503 16.079 328 H GLN 45 H GLN 45 9.695 11.464 14.645 329 HA GLN 45 HA GLN 45 9.694 11.123 11.828 330 HB2 GLN 45 2HB GLN 45 12.213 10.861 12.977 331 HB3 GLN 45 1HB GLN 45 11.652 9.204 12.805 332 HG2 GLN 45 2HG GLN 45 11.546 9.335 10.505 333 HG3 GLN 45 1HG GLN 45 11.428 11.094 10.508 334 HE21 GLN 45 1HE2 GLN 45 13.487 11.960 11.903 335 HE22 GLN 45 2HE2 GLN 45 14.990 11.436 11.230 336 H ARG 46 H ARG 46 7.820 10.699 13.834 337 HA ARG 46 HA ARG 46 7.626 8.125 14.862 338 HB2 ARG 46 2HB ARG 46 5.241 8.538 15.070 339 HB3 ARG 46 1HB ARG 46 6.140 9.988 15.494 340 HG2 ARG 46 2HG ARG 46 5.183 9.684 12.696 341 HG3 ARG 46 1HG ARG 46 4.014 10.091 13.954 342 HD2 ARG 46 2HD ARG 46 5.893 11.857 14.586 343 HD3 ARG 46 1HD ARG 46 6.285 11.670 12.877 344 HE ARG 46 HE ARG 46 3.495 12.150 13.406 345 HH11 ARG 46 1HH1 ARG 46 6.602 13.619 12.802 346 HH12 ARG 46 2HH1 ARG 46 5.927 15.101 12.215 347 HH21 ARG 46 1HH2 ARG 46 2.604 14.100 12.635 348 HH22 ARG 46 2HH2 ARG 46 3.657 15.376 12.121 349 H PHE 47 H PHE 47 7.160 9.261 11.620 350 HA PHE 47 HA PHE 47 5.540 7.218 10.600 351 HB2 PHE 47 2HB PHE 47 7.720 8.751 9.168 352 HB3 PHE 47 1HB PHE 47 6.407 7.861 8.402 353 HD1 PHE 47 1HD PHE 47 3.993 8.590 9.251 354 HD2 PHE 47 2HD PHE 47 7.483 11.020 9.387 355 HE1 PHE 47 1HE PHE 47 2.583 10.605 9.324 356 HE2 PHE 47 2HE PHE 47 6.080 13.039 9.458 357 HZ PHE 47 HZ PHE 47 3.626 12.834 9.427 358 H GLN 48 H GLN 48 9.089 7.477 10.701 359 HA GLN 48 HA GLN 48 9.511 4.911 9.549 360 HB2 GLN 48 2HB GLN 48 11.104 7.115 10.228 361 HB3 GLN 48 1HB GLN 48 11.713 5.792 11.214 362 HG2 GLN 48 2HG GLN 48 11.514 4.542 8.847 363 HG3 GLN 48 1HG GLN 48 11.813 6.192 8.297 364 HE21 GLN 48 1HE2 GLN 48 13.863 6.605 7.957 365 HE22 GLN 48 2HE2 GLN 48 15.203 5.932 8.813 366 H GLN 49 H GLN 49 9.546 6.129 12.883 367 HA GLN 49 HA GLN 49 10.332 3.771 14.154 368 HB2 GLN 49 2HB GLN 49 8.602 6.058 15.091 369 HB3 GLN 49 1HB GLN 49 9.089 4.740 16.147 370 HG2 GLN 49 2HG GLN 49 11.344 5.889 14.742 371 HG3 GLN 49 1HG GLN 49 10.465 7.091 15.686 372 HE21 GLN 49 1HE2 GLN 49 9.959 6.422 17.955 373 HE22 GLN 49 2HE2 GLN 49 11.184 5.562 18.818 374 H ILE 50 H ILE 50 7.046 4.996 13.510 375 HA ILE 50 HA ILE 50 5.677 2.810 14.602 376 HB ILE 50 HB ILE 50 4.761 5.113 13.801 377 HG12 ILE 50 2HG1 ILE 50 3.431 3.400 14.931 378 HG13 ILE 50 1HG1 ILE 50 2.499 4.175 13.656 379 HG21 ILE 50 1HG2 ILE 50 5.464 4.494 11.385 380 HG22 ILE 50 2HG2 ILE 50 3.941 5.333 11.657 381 HG23 ILE 50 3HG2 ILE 50 3.950 3.596 11.362 382 HD11 ILE 50 3HD1 ILE 50 1.959 2.036 13.202 383 HD12 ILE 50 1HD1 ILE 50 3.451 1.395 13.892 384 HD13 ILE 50 2HD1 ILE 50 3.459 2.105 12.277 385 H TYR 51 H TYR 51 7.033 3.370 11.411 386 HA TYR 51 HA TYR 51 5.922 1.273 9.986 387 HB2 TYR 51 2HB TYR 51 7.423 3.064 9.072 388 HB3 TYR 51 1HB TYR 51 8.788 2.208 9.780 389 HD1 TYR 51 2HD TYR 51 6.065 1.912 7.283 390 HD2 TYR 51 1HD TYR 51 9.791 0.393 8.659 391 HE1 TYR 51 2HE TYR 51 6.251 0.547 5.247 392 HE2 TYR 51 1HE TYR 51 9.992 -0.975 6.626 393 HH TYR 51 HH TYR 51 8.783 -1.832 4.850 394 H TYR 52 H TYR 52 8.925 1.279 11.865 395 HA TYR 52 HA TYR 52 9.446 -1.484 11.558 396 HB2 TYR 52 2HB TYR 52 10.461 0.656 13.395 397 HB3 TYR 52 1HB TYR 52 10.873 -1.026 13.707 398 HD1 TYR 52 2HD TYR 52 11.118 1.680 11.185 399 HD2 TYR 52 1HD TYR 52 12.570 -2.107 12.471 400 HE1 TYR 52 2HE TYR 52 12.952 1.838 9.556 401 HE2 TYR 52 1HE TYR 52 14.410 -1.959 10.845 402 HH TYR 52 HH TYR 52 14.762 -0.700 8.572 403 H ALA 53 H ALA 53 7.409 0.326 13.694 404 HA ALA 53 HA ALA 53 7.158 -1.639 15.730 405 HB1 ALA 53 1HB ALA 53 6.430 0.948 15.545 406 HB2 ALA 53 2HB ALA 53 5.780 -0.169 16.745 407 HB3 ALA 53 3HB ALA 53 4.875 0.162 15.268 408 H TYR 54 H TYR 54 5.075 -0.746 12.999 409 HA TYR 54 HA TYR 54 3.329 -2.980 13.445 410 HB2 TYR 54 2HB TYR 54 1.918 -2.027 11.924 411 HB3 TYR 54 1HB TYR 54 2.853 -0.606 12.364 412 HD1 TYR 54 1HD TYR 54 2.320 -3.161 9.763 413 HD2 TYR 54 2HD TYR 54 4.263 0.486 10.765 414 HE1 TYR 54 1HE TYR 54 2.875 -2.816 7.396 415 HE2 TYR 54 2HE TYR 54 4.826 0.841 8.397 416 HH TYR 54 HH TYR 54 5.094 -1.072 6.261 417 H ARG 55 H ARG 55 6.369 -3.029 12.350 418 HA ARG 55 HA ARG 55 6.397 -4.319 9.906 419 HB2 ARG 55 2HB ARG 55 8.185 -4.179 12.238 420 HB3 ARG 55 1HB ARG 55 8.398 -5.613 11.248 421 HG2 ARG 55 2HG ARG 55 8.233 -3.108 9.736 422 HG3 ARG 55 1HG ARG 55 9.620 -3.234 10.821 423 HD2 ARG 55 2HD ARG 55 9.251 -5.708 9.410 424 HD3 ARG 55 1HD ARG 55 9.321 -4.369 8.268 425 HE ARG 55 HE ARG 55 11.521 -3.981 8.871 426 HH11 ARG 55 1HH1 ARG 55 10.126 -6.428 10.939 427 HH12 ARG 55 2HH1 ARG 55 11.653 -6.924 11.585 428 HH21 ARG 55 1HH2 ARG 55 13.525 -4.638 9.722 429 HH22 ARG 55 2HH2 ARG 55 13.580 -5.910 10.897 430 H SER 56 H SER 56 5.288 -5.513 12.958 431 HA SER 56 HA SER 56 5.489 -8.296 12.279 432 HB2 SER 56 2HB SER 56 4.297 -8.693 14.363 433 HB3 SER 56 1HB SER 56 5.563 -7.492 14.624 434 HG SER 56 HG SER 56 3.929 -5.880 14.427 435 H VAL 57 H VAL 57 2.670 -6.172 12.853 436 HA VAL 57 HA VAL 57 0.666 -7.859 12.067 437 HB VAL 57 HB VAL 57 0.261 -5.626 13.005 438 HG11 VAL 57 1HG1 VAL 57 1.771 -4.206 11.925 439 HG12 VAL 57 2HG1 VAL 57 0.193 -3.711 11.312 440 HG13 VAL 57 3HG1 VAL 57 1.248 -4.718 10.322 441 HG21 VAL 57 3HG2 VAL 57 -1.652 -5.002 11.474 442 HG22 VAL 57 1HG2 VAL 57 -1.632 -6.671 12.044 443 HG23 VAL 57 2HG2 VAL 57 -1.100 -6.292 10.405 444 H TRP 58 H TRP 58 2.903 -6.131 10.001 445 HA TRP 58 HA TRP 58 1.577 -7.318 7.652 446 HB2 TRP 58 2HB TRP 58 2.004 -4.666 8.061 447 HB3 TRP 58 1HB TRP 58 3.483 -5.100 7.213 448 HD1 TRP 58 HD TRP 58 0.278 -6.915 6.260 449 HE1 TRP 58 1HE TRP 58 -0.434 -6.169 3.903 450 HE3 TRP 58 3HE TRP 58 3.589 -3.079 5.586 451 HZ2 TRP 58 2HZ TRP 58 0.308 -4.213 2.009 452 HZ3 TRP 58 3HZ TRP 58 3.522 -1.820 3.473 453 HH2 TRP 58 HH TRP 58 1.915 -2.378 1.721 454 H HIS 59 H HIS 59 3.752 -6.795 5.860 455 HA HIS 59 HA HIS 59 5.892 -8.474 6.975 456 HB2 HIS 59 2HB HIS 59 4.492 -8.867 4.326 457 HB3 HIS 59 1HB HIS 59 5.992 -9.672 4.773 458 HD1 HIS 59 1HD HIS 59 2.544 -9.287 6.361 459 HD2 HIS 59 2HD HIS 59 5.498 -12.140 5.728 460 HE1 HIS 59 1HE HIS 59 1.646 -11.416 7.355 461 HE2 HIS 59 2HE HIS 59 3.411 -13.150 6.876 462 HA PRO 60 HA PRO 60 7.636 -4.987 4.423 463 HB2 PRO 60 2HB PRO 60 8.058 -3.060 6.224 464 HB3 PRO 60 1HB PRO 60 6.464 -3.305 5.505 465 HG2 PRO 60 2HG PRO 60 7.433 -3.974 8.222 466 HG3 PRO 60 1HG PRO 60 5.802 -3.556 7.682 467 HD2 PRO 60 2HD PRO 60 6.863 -6.158 8.160 468 HD3 PRO 60 1HD PRO 60 5.272 -5.741 7.506 469 H ALA 61 H ALA 61 9.720 -3.510 5.325 470 HA ALA 61 HA ALA 61 11.497 -5.047 6.989 471 HB1 ALA 61 1HB ALA 61 13.199 -5.032 4.958 472 HB2 ALA 61 2HB ALA 61 11.705 -5.140 4.027 473 HB3 ALA 61 3HB ALA 61 12.086 -6.373 5.231 474 H ARG 62 H ARG 62 11.885 -2.767 4.279 475 HA ARG 62 HA ARG 62 12.571 -0.615 6.080 476 HB2 ARG 62 2HB ARG 62 14.781 -0.217 4.965 477 HB3 ARG 62 1HB ARG 62 14.726 -1.656 5.973 478 HG2 ARG 62 2HG ARG 62 14.369 -3.017 3.936 479 HG3 ARG 62 1HG ARG 62 14.566 -1.553 2.970 480 HD2 ARG 62 2HD ARG 62 16.799 -1.344 4.341 481 HD3 ARG 62 1HD ARG 62 16.584 -3.081 4.542 482 HE ARG 62 HE ARG 62 17.304 -3.327 2.401 483 HH11 ARG 62 1HH1 ARG 62 15.948 -0.127 2.718 484 HH12 ARG 62 2HH1 ARG 62 16.335 0.335 1.096 485 HH21 ARG 62 1HH2 ARG 62 17.814 -2.723 0.266 486 HH22 ARG 62 2HH2 ARG 62 17.396 -1.139 -0.297 487 H THR 63 H THR 63 10.431 -0.721 4.485 488 HA THR 63 HA THR 63 11.099 0.877 2.106 489 HB THR 63 HB THR 63 8.383 -0.272 2.532 490 HG1 THR 63 1HG THR 63 10.696 -1.749 1.862 491 HG21 THR 63 3HG2 THR 63 8.870 1.081 0.534 492 HG22 THR 63 1HG2 THR 63 8.410 -0.577 0.147 493 HG23 THR 63 2HG2 THR 63 10.105 -0.090 0.073 494 H VAL 64 H VAL 64 11.383 2.578 3.916 495 HA VAL 64 HA VAL 64 9.186 3.678 5.246 496 HB VAL 64 HB VAL 64 11.689 5.023 4.211 497 HG11 VAL 64 1HG1 VAL 64 10.517 6.929 4.523 498 HG12 VAL 64 2HG1 VAL 64 10.867 6.623 6.224 499 HG13 VAL 64 3HG1 VAL 64 9.311 6.145 5.545 500 HG21 VAL 64 3HG2 VAL 64 10.869 3.888 6.874 501 HG22 VAL 64 1HG2 VAL 64 12.235 4.987 6.683 502 HG23 VAL 64 2HG2 VAL 64 12.239 3.426 5.864 503 H SER 65 H SER 65 10.308 3.997 1.946 504 HA SER 65 HA SER 65 8.742 6.196 1.163 505 HB2 SER 65 2HB SER 65 10.475 5.453 -0.323 506 HB3 SER 65 1HB SER 65 9.802 3.825 -0.392 507 HG SER 65 HG SER 65 8.646 4.483 -2.005 508 H GLN 66 H GLN 66 8.117 2.736 1.351 509 HA GLN 66 HA GLN 66 5.547 2.773 0.171 510 HB2 GLN 66 2HB GLN 66 7.161 0.884 1.729 511 HB3 GLN 66 1HB GLN 66 5.434 0.713 1.991 512 HG2 GLN 66 2HG GLN 66 6.684 0.758 -0.739 513 HG3 GLN 66 1HG GLN 66 6.420 -0.721 0.181 514 HE21 GLN 66 1HE2 GLN 66 4.257 -1.320 0.692 515 HE22 GLN 66 2HE2 GLN 66 2.944 -0.791 -0.298 516 H LEU 67 H LEU 67 6.717 3.287 3.444 517 HA LEU 67 HA LEU 67 4.324 3.292 4.855 518 HB2 LEU 67 2HB LEU 67 6.642 3.496 5.811 519 HB3 LEU 67 1HB LEU 67 6.638 5.174 5.309 520 HG LEU 67 HG LEU 67 6.135 4.822 7.724 521 HD11 LEU 67 1HD1 LEU 67 5.329 6.774 6.260 522 HD12 LEU 67 2HD1 LEU 67 4.577 6.541 7.838 523 HD13 LEU 67 3HD1 LEU 67 3.742 6.015 6.376 524 HD21 LEU 67 3HD2 LEU 67 4.574 3.411 8.424 525 HD22 LEU 67 1HD2 LEU 67 4.427 2.845 6.761 526 HD23 LEU 67 2HD2 LEU 67 3.364 4.118 7.355 527 H TYR 68 H TYR 68 5.953 5.942 3.187 528 HA TYR 68 HA TYR 68 3.972 7.889 3.689 529 HB2 TYR 68 2HB TYR 68 6.172 7.626 1.657 530 HB3 TYR 68 1HB TYR 68 5.021 8.953 1.559 531 HD1 TYR 68 1HD TYR 68 6.288 7.500 4.716 532 HD2 TYR 68 2HD TYR 68 6.533 10.741 1.970 533 HE1 TYR 68 1HE TYR 68 7.620 8.770 6.345 534 HE2 TYR 68 2HE TYR 68 7.867 12.020 3.593 535 HH TYR 68 HH TYR 68 9.396 10.727 6.144 536 H ASP 69 H ASP 69 4.293 5.329 1.358 537 HA ASP 69 HA ASP 69 2.393 6.254 -0.514 538 HB2 ASP 69 2HB ASP 69 4.150 4.170 -0.445 539 HB3 ASP 69 1HB ASP 69 2.617 3.335 -0.210 540 H HIS 70 H HIS 70 2.090 3.971 2.201 541 HA HIS 70 HA HIS 70 -0.759 3.762 1.816 542 HB2 HIS 70 2HB HIS 70 0.048 2.965 4.475 543 HB3 HIS 70 1HB HIS 70 -0.646 1.995 3.186 544 HD1 HIS 70 1HD HIS 70 2.445 2.600 5.024 545 HD2 HIS 70 2HD HIS 70 1.345 0.816 1.440 546 HE1 HIS 70 1HE HIS 70 4.410 1.197 4.349 547 HE2 HIS 70 2HE HIS 70 3.651 -0.014 2.269 548 H TRP 71 H TRP 71 1.435 5.661 3.699 549 HA TRP 71 HA TRP 71 -0.494 6.740 5.492 550 HB2 TRP 71 2HB TRP 71 1.900 6.708 6.031 551 HB3 TRP 71 1HB TRP 71 2.230 7.774 4.668 552 HD1 TRP 71 HD TRP 71 0.111 7.893 7.928 553 HE1 TRP 71 1HE TRP 71 0.215 10.296 8.844 554 HE3 TRP 71 3HE TRP 71 2.906 10.054 4.231 555 HZ2 TRP 71 2HZ TRP 71 1.332 12.779 8.100 556 HZ3 TRP 71 3HZ TRP 71 3.448 12.449 4.410 557 HH2 TRP 71 HH TRP 71 2.676 13.781 6.303 558 H ARG 72 H ARG 72 0.715 7.595 2.314 559 HA ARG 72 HA ARG 72 -0.524 10.185 2.273 560 HB2 ARG 72 2HB ARG 72 1.465 9.657 0.904 561 HB3 ARG 72 1HB ARG 72 0.513 8.502 -0.017 562 HG2 ARG 72 2HG ARG 72 -0.695 10.151 -1.091 563 HG3 ARG 72 1HG ARG 72 -0.364 11.350 0.160 564 HD2 ARG 72 2HD ARG 72 1.530 12.014 -0.826 565 HD3 ARG 72 1HD ARG 72 2.048 10.357 -1.138 566 HE ARG 72 HE ARG 72 1.233 10.544 -3.264 567 HH11 ARG 72 1HH1 ARG 72 -0.131 13.100 -1.318 568 HH12 ARG 72 2HH1 ARG 72 -0.874 13.898 -2.663 569 HH21 ARG 72 1HH2 ARG 72 0.256 11.593 -5.035 570 HH22 ARG 72 2HH2 ARG 72 -0.655 13.043 -4.773 571 H GLY 73 H GLY 73 -1.310 6.958 1.103 572 HA2 GLY 73 2HA GLY 73 -3.660 7.711 -0.312 573 HA3 GLY 73 1HA GLY 73 -3.237 6.083 0.202 574 H THR 74 H THR 74 -2.991 6.959 3.027 575 HA THR 74 HA THR 74 -5.743 6.559 3.747 576 HB THR 74 HB THR 74 -3.351 7.110 5.514 577 HG1 THR 74 1HG THR 74 -2.808 5.189 4.894 578 HG21 THR 74 3HG2 THR 74 -6.065 6.942 6.197 579 HG22 THR 74 1HG2 THR 74 -4.670 6.944 7.275 580 HG23 THR 74 2HG2 THR 74 -5.326 5.417 6.686 581 H LEU 75 H LEU 75 -3.395 9.195 3.999 582 HA LEU 75 HA LEU 75 -5.524 11.134 4.030 583 HB2 LEU 75 2HB LEU 75 -4.865 10.222 6.479 584 HB3 LEU 75 1HB LEU 75 -3.683 11.506 6.315 585 HG LEU 75 HG LEU 75 -5.691 13.007 5.708 586 HD11 LEU 75 1HD1 LEU 75 -7.053 10.578 6.822 587 HD12 LEU 75 2HD1 LEU 75 -7.431 11.485 5.358 588 HD13 LEU 75 3HD1 LEU 75 -7.771 12.183 6.942 589 HD21 LEU 75 3HD2 LEU 75 -5.738 13.745 7.863 590 HD22 LEU 75 1HD2 LEU 75 -4.317 12.705 7.950 591 HD23 LEU 75 2HD2 LEU 75 -5.874 12.123 8.537 592 H ARG 76 H ARG 76 -4.394 11.645 2.065 593 HA ARG 76 HA ARG 76 -1.680 12.584 2.172 594 HB2 ARG 76 2HB ARG 76 -2.193 13.350 -0.197 595 HB3 ARG 76 1HB ARG 76 -2.322 11.624 0.108 596 HG2 ARG 76 2HG ARG 76 -4.689 11.712 0.120 597 HG3 ARG 76 1HG ARG 76 -4.688 13.476 0.151 598 HD2 ARG 76 2HD ARG 76 -3.724 13.538 -2.078 599 HD3 ARG 76 1HD ARG 76 -3.634 11.777 -2.108 600 HE ARG 76 HE ARG 76 -6.286 12.805 -1.672 601 HH11 ARG 76 1HH1 ARG 76 -3.919 11.892 -4.071 602 HH12 ARG 76 2HH1 ARG 76 -5.098 11.605 -5.306 603 HH21 ARG 76 1HH2 ARG 76 -7.838 12.427 -3.296 604 HH22 ARG 76 2HH2 ARG 76 -7.323 11.908 -4.866 605 H TYR 77 H TYR 77 -1.409 14.834 0.886 606 HA TYR 77 HA TYR 77 -3.271 16.854 1.791 607 HB2 TYR 77 2HB TYR 77 -1.353 18.137 2.912 608 HB3 TYR 77 1HB TYR 77 -2.042 16.781 3.800 609 HD1 TYR 77 1HD TYR 77 -0.813 14.527 3.643 610 HD2 TYR 77 2HD TYR 77 0.943 18.230 2.501 611 HE1 TYR 77 1HE TYR 77 1.422 13.525 3.855 612 HE2 TYR 77 2HE TYR 77 3.184 17.239 2.709 613 HH TYR 77 HH TYR 77 4.160 15.181 4.138 614 H LYS 78 H LYS 78 -3.268 18.600 0.484 615 HA LYS 78 HA LYS 78 -0.963 19.315 -1.093 616 HB2 LYS 78 2HB LYS 78 -2.514 17.404 -2.221 617 HB3 LYS 78 1HB LYS 78 -3.334 18.847 -2.802 618 HG2 LYS 78 2HG LYS 78 -1.661 19.394 -4.200 619 HG3 LYS 78 1HG LYS 78 -0.407 18.871 -3.074 620 HD2 LYS 78 2HD LYS 78 -0.439 16.707 -3.831 621 HD3 LYS 78 1HD LYS 78 -2.127 16.797 -4.343 622 HE2 LYS 78 2HE LYS 78 -1.007 18.611 -6.003 623 HE3 LYS 78 1HE LYS 78 0.340 17.493 -5.796 624 HZ1 LYS 78 3HZ LYS 78 -1.123 16.945 -7.688 625 HZ2 LYS 78 1HZ LYS 78 -2.397 16.676 -6.606 626 HZ3 LYS 78 2HZ LYS 78 -1.019 15.696 -6.553 627 H VAL 79 H VAL 79 -1.360 21.207 0.230 628 HA VAL 79 HA VAL 79 -3.440 22.934 -0.936 629 HB VAL 79 HB VAL 79 -2.579 23.037 1.954 630 HG11 VAL 79 1HG1 VAL 79 -4.731 24.433 0.379 631 HG12 VAL 79 2HG1 VAL 79 -3.361 25.159 1.220 632 HG13 VAL 79 3HG1 VAL 79 -4.670 24.418 2.142 633 HG21 VAL 79 3HG2 VAL 79 -3.787 21.134 2.113 634 HG22 VAL 79 1HG2 VAL 79 -4.647 21.427 0.599 635 HG23 VAL 79 2HG2 VAL 79 -5.149 22.254 2.073 636 H ILE 80 H ILE 80 -2.159 24.126 -2.265 637 HA ILE 80 HA ILE 80 -0.207 25.873 -0.958 638 HB ILE 80 HB ILE 80 1.282 25.603 -3.015 639 HG12 ILE 80 2HG1 ILE 80 -0.121 22.935 -3.219 640 HG13 ILE 80 1HG1 ILE 80 -0.495 24.294 -4.273 641 HG21 ILE 80 1HG2 ILE 80 0.966 23.509 -0.890 642 HG22 ILE 80 2HG2 ILE 80 2.128 24.833 -0.976 643 HG23 ILE 80 3HG2 ILE 80 2.282 23.451 -2.061 644 HD11 ILE 80 3HD1 ILE 80 2.030 24.278 -4.798 645 HD12 ILE 80 1HD1 ILE 80 0.991 23.051 -5.523 646 HD13 ILE 80 2HD1 ILE 80 1.990 22.647 -4.127 647 H GLN 81 H GLN 81 -0.742 27.896 -1.403 648 HA GLN 81 HA GLN 81 -1.402 28.701 -4.099 649 HB2 GLN 81 2HB GLN 81 -3.542 27.951 -2.719 650 HB3 GLN 81 1HB GLN 81 -3.385 29.569 -2.050 651 HG2 GLN 81 2HG GLN 81 -3.154 29.610 -4.923 652 HG3 GLN 81 1HG GLN 81 -4.653 28.834 -4.412 653 HE21 GLN 81 1HE2 GLN 81 -6.196 30.028 -3.318 654 HE22 GLN 81 2HE2 GLN 81 -6.160 31.753 -3.251 655 H GLN 82 H GLN 82 0.515 29.907 -3.889 656 HA GLN 82 HA GLN 82 0.264 32.270 -2.146 657 HB2 GLN 82 2HB GLN 82 2.625 30.532 -2.744 658 HB3 GLN 82 1HB GLN 82 2.881 32.235 -2.391 659 HG2 GLN 82 2HG GLN 82 1.108 31.043 -0.460 660 HG3 GLN 82 1HG GLN 82 2.623 30.148 -0.569 661 HE21 GLN 82 1HE2 GLN 82 1.606 31.778 1.607 662 HE22 GLN 82 2HE2 GLN 82 2.782 33.013 1.881 663 H GLN 83 H GLN 83 -0.286 33.922 -3.412 664 HA GLN 83 HA GLN 83 1.034 34.179 -6.034 665 HB2 GLN 83 2HB GLN 83 -1.673 35.023 -5.046 666 HB3 GLN 83 1HB GLN 83 -0.939 35.825 -6.427 667 HG2 GLN 83 2HG GLN 83 -0.806 33.718 -7.616 668 HG3 GLN 83 1HG GLN 83 -1.470 32.870 -6.219 669 HE21 GLN 83 1HE2 GLN 83 -3.646 33.421 -5.563 670 HE22 GLN 83 2HE2 GLN 83 -4.787 33.933 -6.755 671 H GLY 84 H GLY 84 0.235 35.812 -3.035 672 HA2 GLY 84 2HA GLY 84 2.452 37.542 -3.174 673 HA3 GLY 84 1HA GLY 84 1.024 38.414 -3.708 674 H TYR 85 H TYR 85 2.833 38.528 -1.254 675 HA TYR 85 HA TYR 85 0.665 38.923 0.638 676 HB2 TYR 85 2HB TYR 85 1.937 36.528 0.755 677 HB3 TYR 85 1HB TYR 85 2.961 37.486 1.821 678 HD1 TYR 85 2HD TYR 85 2.091 38.371 3.919 679 HD2 TYR 85 1HD TYR 85 -0.353 36.012 1.358 680 HE1 TYR 85 2HE TYR 85 0.480 38.061 5.751 681 HE2 TYR 85 1HE TYR 85 -1.971 35.696 3.183 682 HH TYR 85 HH TYR 85 -1.274 36.496 6.415 683 H ARG 86 H ARG 86 2.379 40.713 -0.765 684 HA ARG 86 HA ARG 86 3.254 42.328 1.404 685 HB2 ARG 86 2HB ARG 86 5.673 42.441 0.524 686 HB3 ARG 86 1HB ARG 86 5.223 41.076 1.535 687 HG2 ARG 86 2HG ARG 86 4.841 39.765 -0.568 688 HG3 ARG 86 1HG ARG 86 5.556 41.115 -1.452 689 HD2 ARG 86 2HD ARG 86 7.285 39.527 -1.084 690 HD3 ARG 86 1HD ARG 86 7.580 40.877 0.009 691 HE ARG 86 HE ARG 86 7.213 39.481 1.791 692 HH11 ARG 86 1HH1 ARG 86 6.122 37.914 -1.130 693 HH12 ARG 86 2HH1 ARG 86 5.869 36.383 -0.363 694 HH21 ARG 86 1HH2 ARG 86 6.880 37.468 2.802 695 HH22 ARG 86 2HH2 ARG 86 6.299 36.129 1.869 696 H GLY 87 H GLY 87 2.469 44.203 0.706 697 HA2 GLY 87 2HA GLY 87 3.554 45.605 -1.462 698 HA3 GLY 87 1HA GLY 87 2.049 44.872 -1.996 699 H LYS 88 H LYS 88 0.689 45.090 0.523 700 HA LYS 88 HA LYS 88 -0.124 47.857 0.311 701 HB2 LYS 88 2HB LYS 88 -1.809 46.080 0.496 702 HB3 LYS 88 1HB LYS 88 -1.167 45.631 2.071 703 HG2 LYS 88 2HG LYS 88 -1.698 48.031 2.770 704 HG3 LYS 88 1HG LYS 88 -2.665 48.107 1.297 705 HD2 LYS 88 2HD LYS 88 -4.145 47.489 3.043 706 HD3 LYS 88 1HD LYS 88 -3.845 46.029 2.099 707 HE2 LYS 88 2HE LYS 88 -3.321 45.036 4.024 708 HE3 LYS 88 1HE LYS 88 -1.848 46.005 4.016 709 HZ1 LYS 88 3HZ LYS 88 -4.401 46.602 5.393 710 HZ2 LYS 88 1HZ LYS 88 -3.179 47.754 5.194 711 HZ3 LYS 88 2HZ LYS 88 -2.881 46.350 6.090 712 H ASN 89 H ASN 89 1.573 49.046 1.172 713 HA ASN 89 HA ASN 89 2.769 50.117 2.783 714 HB2 ASN 89 2HB ASN 89 0.238 49.707 3.855 715 HB3 ASN 89 1HB ASN 89 1.323 49.127 5.115 716 HD21 ASN 89 1HD2 ASN 89 3.046 50.596 5.787 717 HD22 ASN 89 2HD2 ASN 89 2.734 52.296 5.784 718 H SER 90 H SER 90 4.663 48.948 2.573 719 HA SER 90 HA SER 90 5.051 46.454 3.947 720 HB2 SER 90 2HB SER 90 6.658 48.194 2.159 721 HB3 SER 90 1HB SER 90 7.557 47.156 3.266 722 HG SER 90 HG SER 90 7.165 45.614 1.912 723 H VAL 91 H VAL 91 5.845 49.827 4.507 724 HA VAL 91 HA VAL 91 7.131 49.089 7.049 725 HB VAL 91 HB VAL 91 7.916 51.505 7.035 726 HG11 VAL 91 1HG1 VAL 91 9.837 50.992 5.793 727 HG12 VAL 91 2HG1 VAL 91 8.948 49.949 4.683 728 HG13 VAL 91 3HG1 VAL 91 9.233 49.429 6.343 729 HG21 VAL 91 3HG2 VAL 91 6.140 51.855 5.040 730 HG22 VAL 91 1HG2 VAL 91 7.610 51.585 4.103 731 HG23 VAL 91 2HG2 VAL 91 7.547 52.888 5.290 732 H ALA 92 H ALA 92 6.065 49.430 8.880 733 HA ALA 92 HA ALA 92 4.068 51.571 9.010 734 HB1 ALA 92 1HB ALA 92 2.934 49.403 8.493 735 HB2 ALA 92 2HB ALA 92 2.402 50.171 9.989 736 HB3 ALA 92 3HB ALA 92 3.509 48.799 10.046 737 H ALA 93 H ALA 93 3.172 51.460 11.474 738 HA ALA 93 HA ALA 93 5.594 51.539 13.148 739 HB1 ALA 93 1HB ALA 93 4.531 53.721 12.788 740 HB2 ALA 93 2HB ALA 93 4.482 53.239 14.483 741 HB3 ALA 93 3HB ALA 93 3.035 53.100 13.486 742 H ARG 94 H ARG 94 4.671 51.595 15.631 743 HA ARG 94 HA ARG 94 2.674 49.536 16.050 744 HB2 ARG 94 2HB ARG 94 5.563 49.030 16.257 745 HB3 ARG 94 1HB ARG 94 4.643 48.542 17.674 746 HG2 ARG 94 2HG ARG 94 3.149 47.234 16.189 747 HG3 ARG 94 1HG ARG 94 4.207 47.640 14.837 748 HD2 ARG 94 2HD ARG 94 5.002 45.565 15.484 749 HD3 ARG 94 1HD ARG 94 6.084 46.668 16.333 750 HE ARG 94 HE ARG 94 3.867 46.009 17.963 751 HH11 ARG 94 1HH1 ARG 94 6.839 44.671 16.717 752 HH12 ARG 94 2HH1 ARG 94 7.052 43.580 18.046 753 HH21 ARG 94 1HH2 ARG 94 4.147 44.577 19.713 754 HH22 ARG 94 2HH2 ARG 94 5.523 43.527 19.747 755 H SER 95 H SER 95 2.613 49.038 18.542 756 HA SER 95 HA SER 95 1.993 51.464 19.835 757 HB2 SER 95 2HB SER 95 2.457 49.203 21.639 758 HB3 SER 95 1HB SER 95 0.987 50.133 21.354 759 HG SER 95 HG SER 95 1.154 47.768 20.690 760 HA PRO 96 HA PRO 96 5.702 52.719 21.843 761 HB2 PRO 96 2HB PRO 96 4.949 53.215 24.410 762 HB3 PRO 96 1HB PRO 96 4.515 54.264 23.057 763 HG2 PRO 96 2HG PRO 96 2.888 52.149 24.410 764 HG3 PRO 96 1HG PRO 96 2.398 53.767 23.880 765 HD2 PRO 96 2HD PRO 96 1.824 51.547 22.455 766 HD3 PRO 96 1HD PRO 96 2.153 53.110 21.680 767 H GLU 97 H GLU 97 7.465 51.822 22.769 768 HA GLU 97 HA GLU 97 7.145 49.676 24.723 769 HB2 GLU 97 2HB GLU 97 7.573 49.098 22.037 770 HB3 GLU 97 1HB GLU 97 9.176 48.987 22.752 771 HG2 GLU 97 2HG GLU 97 7.428 47.654 24.504 772 HG3 GLU 97 1HG GLU 97 7.004 47.134 22.875 773 H LYS 98 H LYS 98 8.267 50.471 26.380 774 HA LYS 98 HA LYS 98 10.638 52.077 25.955 775 HB2 LYS 98 2HB LYS 98 10.648 52.146 28.492 776 HB3 LYS 98 1HB LYS 98 9.242 52.851 27.704 777 HG2 LYS 98 2HG LYS 98 7.830 51.223 28.448 778 HG3 LYS 98 1HG LYS 98 9.100 49.999 28.520 779 HD2 LYS 98 2HD LYS 98 8.928 52.348 30.402 780 HD3 LYS 98 1HD LYS 98 8.241 50.760 30.750 781 HE2 LYS 98 2HE LYS 98 10.259 49.827 31.143 782 HE3 LYS 98 1HE LYS 98 11.057 50.770 29.885 783 HZ1 LYS 98 3HZ LYS 98 10.194 51.970 32.449 784 HZ2 LYS 98 1HZ LYS 98 11.280 52.598 31.314 785 HZ3 LYS 98 2HZ LYS 98 11.717 51.261 32.254 786 H ALA 99 H ALA 99 12.446 51.028 25.438 787 HA ALA 99 HA ALA 99 13.254 48.764 27.131 788 HB1 ALA 99 1HB ALA 99 12.823 47.491 25.309 789 HB2 ALA 99 2HB ALA 99 14.428 48.048 24.831 790 HB3 ALA 99 3HB ALA 99 12.990 48.844 24.188 791 H SER 100 H SER 100 15.711 48.249 26.435 792 HA SER 100 HA SER 100 17.132 50.832 26.500 793 HB2 SER 100 2HB SER 100 17.087 49.397 28.649 794 HB3 SER 100 1HB SER 100 18.191 48.324 27.788 795 HG SER 100 HG SER 100 19.728 49.820 27.851 796 H ASN 101 H ASN 101 19.482 50.602 25.848 797 HA ASN 101 HA ASN 101 19.976 48.488 23.906 798 HB2 ASN 101 2HB ASN 101 20.161 51.408 23.137 799 HB3 ASN 101 1HB ASN 101 20.511 50.024 22.103 800 HD21 ASN 101 1HD2 ASN 101 18.660 48.473 21.848 801 HD22 ASN 101 2HD2 ASN 101 17.089 49.161 21.639 802 H MET 102 H MET 102 21.644 47.780 25.232 803 HA MET 102 HA MET 102 24.040 49.472 25.171 804 HB2 MET 102 2HB MET 102 23.009 47.974 27.585 805 HB3 MET 102 1HB MET 102 24.608 48.698 27.474 806 HG2 MET 102 2HG MET 102 23.493 50.900 27.090 807 HG3 MET 102 1HG MET 102 21.956 50.112 27.445 808 HE1 MET 102 3HE MET 102 22.819 52.583 28.712 809 HE2 MET 102 1HE MET 102 23.114 52.483 30.447 810 HE3 MET 102 2HE MET 102 21.570 51.948 29.785 811 H GLU 103 H GLU 103 25.972 48.021 26.035 812 HA GLU 103 HA GLU 103 27.375 46.290 25.583 813 HB2 GLU 103 2HB GLU 103 24.854 44.630 25.429 814 HB3 GLU 103 1HB GLU 103 26.488 44.036 25.697 815 HG2 GLU 103 2HG GLU 103 26.317 45.731 27.749 816 HG3 GLU 103 1HG GLU 103 24.608 45.341 27.565 817 H ASN 104 H ASN 104 28.261 46.752 23.642 818 HA ASN 104 HA ASN 104 27.275 45.291 21.347 819 HB2 ASN 104 2HB ASN 104 26.195 47.677 21.468 820 HB3 ASN 104 1HB ASN 104 27.772 48.212 20.897 821 HD21 ASN 104 1HD2 ASN 104 25.256 48.405 19.538 822 HD22 ASN 104 2HD2 ASN 104 25.405 47.508 18.070 823 H ASN 105 H ASN 105 28.818 45.202 19.601 824 HA ASN 105 HA ASN 105 31.548 45.931 20.439 825 HB2 ASN 105 2HB ASN 105 30.615 43.374 20.186 826 HB3 ASN 105 1HB ASN 105 31.295 43.656 18.586 827 HD21 ASN 105 1HD2 ASN 105 33.520 44.313 18.455 828 HD22 ASN 105 2HD2 ASN 105 34.633 43.817 19.678 829 H GLU 106 H GLU 106 33.037 46.464 18.773 830 HA GLU 106 HA GLU 106 31.901 48.006 16.676 831 HB2 GLU 106 2HB GLU 106 34.619 47.388 17.664 832 HB3 GLU 106 1HB GLU 106 34.510 47.830 15.965 833 HG2 GLU 106 2HG GLU 106 33.443 49.919 16.542 834 HG3 GLU 106 1HG GLU 106 33.433 49.472 18.246 Start of MODEL 9 1 H1 GLY 1 1HT GLY 1 0.148 -11.011 -30.755 2 H2 GLY 1 2HT GLY 1 1.614 -11.284 -31.553 3 H3 GLY 1 3HT GLY 1 1.608 -10.897 -29.906 4 HA2 GLY 1 1HA GLY 1 1.084 -13.436 -31.225 5 HA3 GLY 1 2HA GLY 1 1.851 -13.116 -29.677 6 HA PRO 2 HA PRO 2 -1.880 -14.320 -27.666 7 HB2 PRO 2 2HB PRO 2 -1.852 -12.805 -25.423 8 HB3 PRO 2 1HB PRO 2 -0.733 -14.149 -25.677 9 HG2 PRO 2 2HG PRO 2 -0.282 -11.213 -26.050 10 HG3 PRO 2 1HG PRO 2 0.780 -12.421 -25.306 11 HD2 PRO 2 2HD PRO 2 1.118 -11.532 -27.848 12 HD3 PRO 2 1HD PRO 2 1.552 -13.176 -27.340 13 H GLY 3 H GLY 3 -2.763 -12.920 -29.671 14 HA2 GLY 3 2HA GLY 3 -4.763 -11.848 -30.209 15 HA3 GLY 3 1HA GLY 3 -4.914 -11.341 -28.535 16 H SER 4 H SER 4 -5.520 -9.587 -30.536 17 HA SER 4 HA SER 4 -3.945 -7.356 -29.890 18 HB2 SER 4 2HB SER 4 -3.081 -6.986 -32.305 19 HB3 SER 4 1HB SER 4 -2.189 -8.094 -31.261 20 HG SER 4 HG SER 4 -2.565 -9.577 -32.682 21 H LEU 5 H LEU 5 -5.968 -8.825 -32.398 22 HA LEU 5 HA LEU 5 -7.705 -6.467 -32.282 23 HB2 LEU 5 2HB LEU 5 -6.021 -6.657 -34.329 24 HB3 LEU 5 1HB LEU 5 -7.261 -7.738 -34.939 25 HG LEU 5 HG LEU 5 -8.024 -5.007 -33.980 26 HD11 LEU 5 1HD1 LEU 5 -6.526 -4.175 -35.454 27 HD12 LEU 5 2HD1 LEU 5 -7.798 -4.574 -36.609 28 HD13 LEU 5 3HD1 LEU 5 -6.437 -5.672 -36.381 29 HD21 LEU 5 3HD2 LEU 5 -9.179 -6.338 -36.361 30 HD22 LEU 5 1HD2 LEU 5 -9.959 -5.367 -35.112 31 HD23 LEU 5 2HD2 LEU 5 -9.533 -7.047 -34.785 32 H SER 6 H SER 6 -7.317 -9.770 -33.537 33 HA SER 6 HA SER 6 -10.184 -10.178 -33.590 34 HB2 SER 6 2HB SER 6 -9.720 -12.284 -34.601 35 HB3 SER 6 1HB SER 6 -8.554 -11.151 -35.287 36 HG SER 6 HG SER 6 -7.021 -12.321 -34.475 37 H ASN 7 H ASN 7 -11.375 -11.119 -32.046 38 HA ASN 7 HA ASN 7 -11.967 -12.070 -30.068 39 HB2 ASN 7 2HB ASN 7 -9.691 -13.661 -31.026 40 HB3 ASN 7 1HB ASN 7 -9.945 -13.760 -29.286 41 HD21 ASN 7 1HD2 ASN 7 -10.262 -16.039 -30.422 42 HD22 ASN 7 2HD2 ASN 7 -11.920 -16.461 -30.663 43 H PHE 8 H PHE 8 -11.352 -12.269 -27.737 44 HA PHE 8 HA PHE 8 -9.157 -10.473 -26.985 45 HB2 PHE 8 2HB PHE 8 -11.820 -9.700 -26.916 46 HB3 PHE 8 1HB PHE 8 -11.487 -10.176 -25.255 47 HD1 PHE 8 2HD PHE 8 -10.530 -7.889 -27.971 48 HD2 PHE 8 1HD PHE 8 -10.068 -8.876 -23.857 49 HE1 PHE 8 2HE PHE 8 -9.435 -5.721 -27.577 50 HE2 PHE 8 1HE PHE 8 -8.972 -6.709 -23.456 51 HZ PHE 8 HZ PHE 8 -8.654 -5.129 -25.317 52 H ALA 9 H ALA 9 -7.903 -12.114 -26.177 53 HA ALA 9 HA ALA 9 -9.057 -13.832 -24.098 54 HB1 ALA 9 1HB ALA 9 -6.574 -14.053 -25.774 55 HB2 ALA 9 2HB ALA 9 -7.962 -15.139 -25.714 56 HB3 ALA 9 3HB ALA 9 -6.842 -15.062 -24.353 57 H ASN 10 H ASN 10 -9.092 -12.000 -22.600 58 HA ASN 10 HA ASN 10 -6.674 -11.943 -21.022 59 HB2 ASN 10 2HB ASN 10 -6.838 -9.979 -22.883 60 HB3 ASN 10 1HB ASN 10 -7.686 -9.213 -21.542 61 HD21 ASN 10 1HD2 ASN 10 -5.068 -8.662 -22.801 62 HD22 ASN 10 2HD2 ASN 10 -3.924 -8.690 -21.507 63 H VAL 11 H VAL 11 -9.916 -10.577 -21.501 64 HA VAL 11 HA VAL 11 -10.427 -9.749 -18.898 65 HB VAL 11 HB VAL 11 -11.904 -9.219 -20.787 66 HG11 VAL 11 1HG1 VAL 11 -11.862 -11.361 -21.933 67 HG12 VAL 11 2HG1 VAL 11 -13.524 -10.877 -21.594 68 HG13 VAL 11 3HG1 VAL 11 -12.745 -12.109 -20.603 69 HG21 VAL 11 3HG2 VAL 11 -13.669 -8.905 -19.432 70 HG22 VAL 11 1HG2 VAL 11 -12.630 -9.622 -18.199 71 HG23 VAL 11 2HG2 VAL 11 -13.808 -10.622 -19.049 72 H GLY 12 H GLY 12 -11.122 -10.722 -17.054 73 HA2 GLY 12 2HA GLY 12 -12.312 -12.618 -16.024 74 HA3 GLY 12 1HA GLY 12 -11.441 -13.659 -17.141 75 H VAL 13 H VAL 13 -8.904 -12.356 -16.868 76 HA VAL 13 HA VAL 13 -6.990 -12.831 -15.698 77 HB VAL 13 HB VAL 13 -6.973 -11.763 -13.400 78 HG11 VAL 13 1HG1 VAL 13 -7.633 -9.433 -14.552 79 HG12 VAL 13 2HG1 VAL 13 -7.510 -10.449 -15.988 80 HG13 VAL 13 3HG1 VAL 13 -6.133 -10.294 -14.897 81 HG21 VAL 13 3HG2 VAL 13 -8.862 -10.396 -12.759 82 HG22 VAL 13 1HG2 VAL 13 -9.378 -12.074 -12.929 83 HG23 VAL 13 2HG2 VAL 13 -9.753 -10.903 -14.193 84 H GLY 14 H GLY 14 -7.465 -15.172 -15.775 85 HA2 GLY 14 2HA GLY 14 -8.670 -16.526 -13.604 86 HA3 GLY 14 1HA GLY 14 -7.592 -17.244 -14.791 87 H THR 15 H THR 15 -7.837 -17.516 -11.808 88 HA THR 15 HA THR 15 -5.562 -16.330 -10.611 89 HB THR 15 HB THR 15 -6.822 -18.909 -9.700 90 HG1 THR 15 1HG THR 15 -8.578 -17.659 -9.956 91 HG21 THR 15 3HG2 THR 15 -4.845 -17.385 -8.569 92 HG22 THR 15 1HG2 THR 15 -5.876 -18.543 -7.725 93 HG23 THR 15 2HG2 THR 15 -6.300 -16.830 -7.740 94 H SER 16 H SER 16 -3.512 -16.749 -11.061 95 HA SER 16 HA SER 16 -2.694 -19.522 -11.531 96 HB2 SER 16 2HB SER 16 -1.028 -18.314 -13.259 97 HB3 SER 16 1HB SER 16 -2.592 -18.969 -13.747 98 HG SER 16 HG SER 16 -1.884 -16.597 -14.188 99 H SER 17 H SER 17 -0.281 -19.760 -11.408 100 HA SER 17 HA SER 17 1.653 -19.571 -10.227 101 HB2 SER 17 2HB SER 17 1.209 -17.080 -11.333 102 HB3 SER 17 1HB SER 17 1.465 -16.709 -9.628 103 HG SER 17 HG SER 17 3.383 -18.139 -9.870 104 H GLY 18 H GLY 18 2.502 -18.193 -8.082 105 HA2 GLY 18 2HA GLY 18 0.367 -18.235 -6.077 106 HA3 GLY 18 1HA GLY 18 1.709 -19.346 -5.859 107 H LYS 19 H LYS 19 0.533 -16.408 -4.981 108 HA LYS 19 HA LYS 19 2.872 -15.665 -3.585 109 HB2 LYS 19 2HB LYS 19 2.708 -14.722 -6.283 110 HB3 LYS 19 1HB LYS 19 2.543 -13.349 -5.197 111 HG2 LYS 19 2HG LYS 19 4.646 -13.700 -4.246 112 HG3 LYS 19 1HG LYS 19 4.747 -15.351 -4.859 113 HD2 LYS 19 2HD LYS 19 4.484 -13.924 -7.165 114 HD3 LYS 19 1HD LYS 19 5.408 -12.804 -6.161 115 HE2 LYS 19 2HE LYS 19 7.092 -14.494 -5.766 116 HE3 LYS 19 1HE LYS 19 6.142 -15.688 -6.649 117 HZ1 LYS 19 3HZ LYS 19 6.698 -14.793 -8.647 118 HZ2 LYS 19 1HZ LYS 19 8.090 -14.368 -7.785 119 HZ3 LYS 19 2HZ LYS 19 6.872 -13.223 -8.043 120 H GLN 20 H GLN 20 2.606 -13.377 -2.634 121 HA GLN 20 HA GLN 20 -0.257 -12.873 -2.151 122 HB2 GLN 20 2HB GLN 20 0.749 -13.922 -0.196 123 HB3 GLN 20 1HB GLN 20 2.025 -12.713 -0.172 124 HG2 GLN 20 2HG GLN 20 0.088 -11.020 0.077 125 HG3 GLN 20 1HG GLN 20 -0.860 -12.428 0.547 126 HE21 GLN 20 1HE2 GLN 20 1.127 -13.856 1.893 127 HE22 GLN 20 2HE2 GLN 20 1.529 -13.005 3.342 128 H LYS 21 H LYS 21 2.678 -11.157 -1.119 129 HA LYS 21 HA LYS 21 3.376 -9.015 -1.407 130 HB2 LYS 21 2HB LYS 21 2.348 -9.836 -3.958 131 HB3 LYS 21 1HB LYS 21 1.983 -8.134 -3.709 132 HG2 LYS 21 2HG LYS 21 4.229 -7.547 -3.551 133 HG3 LYS 21 1HG LYS 21 4.737 -9.207 -3.231 134 HD2 LYS 21 2HD LYS 21 4.823 -9.729 -5.418 135 HD3 LYS 21 1HD LYS 21 3.357 -8.822 -5.792 136 HE2 LYS 21 2HE LYS 21 5.649 -7.155 -5.058 137 HE3 LYS 21 1HE LYS 21 5.890 -8.104 -6.524 138 HZ1 LYS 21 3HZ LYS 21 4.038 -5.912 -6.015 139 HZ2 LYS 21 1HZ LYS 21 3.476 -7.165 -7.003 140 HZ3 LYS 21 2HZ LYS 21 4.876 -6.314 -7.428 141 H ARG 22 H ARG 22 0.204 -8.594 -2.937 142 HA ARG 22 HA ARG 22 -0.751 -7.152 -0.577 143 HB2 ARG 22 2HB ARG 22 -0.297 -6.000 -3.294 144 HB3 ARG 22 1HB ARG 22 -1.683 -5.444 -2.367 145 HG2 ARG 22 2HG ARG 22 -0.414 -4.315 -0.884 146 HG3 ARG 22 1HG ARG 22 0.896 -5.496 -0.941 147 HD2 ARG 22 2HD ARG 22 1.837 -4.550 -2.840 148 HD3 ARG 22 1HD ARG 22 0.336 -3.748 -3.304 149 HE ARG 22 HE ARG 22 2.355 -2.757 -1.513 150 HH11 ARG 22 1HH1 ARG 22 -1.005 -2.559 -2.432 151 HH12 ARG 22 2HH1 ARG 22 -1.213 -0.961 -1.799 152 HH21 ARG 22 1HH2 ARG 22 2.084 -0.653 -0.680 153 HH22 ARG 22 2HH2 ARG 22 0.540 0.122 -0.806 154 H TYR 23 H TYR 23 -2.896 -7.390 -0.202 155 HA TYR 23 HA TYR 23 -4.469 -8.780 -2.270 156 HB2 TYR 23 2HB TYR 23 -3.810 -9.682 0.317 157 HB3 TYR 23 1HB TYR 23 -5.512 -9.238 0.378 158 HD1 TYR 23 1HD TYR 23 -3.315 -10.896 -2.161 159 HD2 TYR 23 2HD TYR 23 -6.893 -11.059 0.136 160 HE1 TYR 23 1HE TYR 23 -3.905 -13.025 -3.241 161 HE2 TYR 23 2HE TYR 23 -7.492 -13.189 -0.937 162 HH TYR 23 HH TYR 23 -5.923 -15.150 -2.141 163 H LYS 24 H LYS 24 -5.376 -7.364 0.862 164 HA LYS 24 HA LYS 24 -6.433 -4.961 0.078 165 HB2 LYS 24 2HB LYS 24 -8.057 -7.193 -0.851 166 HB3 LYS 24 1HB LYS 24 -8.971 -6.107 0.186 167 HG2 LYS 24 2HG LYS 24 -7.721 -4.333 -1.432 168 HG3 LYS 24 1HG LYS 24 -7.927 -5.703 -2.525 169 HD2 LYS 24 2HD LYS 24 -9.993 -4.916 -2.866 170 HD3 LYS 24 1HD LYS 24 -10.367 -5.551 -1.263 171 HE2 LYS 24 2HE LYS 24 -10.124 -3.462 -0.249 172 HE3 LYS 24 1HE LYS 24 -9.212 -2.807 -1.610 173 HZ1 LYS 24 3HZ LYS 24 -12.039 -3.625 -1.889 174 HZ2 LYS 24 1HZ LYS 24 -11.136 -2.601 -2.889 175 HZ3 LYS 24 2HZ LYS 24 -11.615 -2.078 -1.354 176 H PHE 25 H PHE 25 -5.237 -5.832 2.323 177 HA PHE 25 HA PHE 25 -6.732 -6.670 4.477 178 HB2 PHE 25 2HB PHE 25 -5.193 -5.208 5.856 179 HB3 PHE 25 1HB PHE 25 -4.393 -6.343 4.774 180 HD1 PHE 25 1HD PHE 25 -5.431 -2.801 5.103 181 HD2 PHE 25 2HD PHE 25 -2.866 -5.596 3.177 182 HE1 PHE 25 1HE PHE 25 -4.169 -0.943 4.098 183 HE2 PHE 25 2HE PHE 25 -1.598 -3.744 2.169 184 HZ PHE 25 HZ PHE 25 -2.249 -1.413 2.630 185 H SER 26 H SER 26 -8.331 -5.774 5.747 186 HA SER 26 HA SER 26 -9.680 -3.465 4.795 187 HB2 SER 26 2HB SER 26 -10.172 -4.388 7.580 188 HB3 SER 26 1HB SER 26 -11.325 -4.007 6.301 189 HG SER 26 HG SER 26 -10.447 -6.390 7.056 190 H ALA 27 H ALA 27 -7.421 -2.341 4.914 191 HA ALA 27 HA ALA 27 -6.162 -0.659 5.787 192 HB1 ALA 27 1HB ALA 27 -8.794 -0.298 7.113 193 HB2 ALA 27 2HB ALA 27 -7.886 0.803 6.076 194 HB3 ALA 27 3HB ALA 27 -7.419 0.595 7.765 195 H SER 28 H SER 28 -6.060 -3.423 6.898 196 HA SER 28 HA SER 28 -5.760 -3.430 9.668 197 HB2 SER 28 2HB SER 28 -4.599 -5.492 9.425 198 HB3 SER 28 1HB SER 28 -5.755 -5.433 8.094 199 HG SER 28 HG SER 28 -2.994 -5.362 8.053 200 H GLU 29 H GLU 29 -3.076 -3.343 7.342 201 HA GLU 29 HA GLU 29 -1.101 -2.652 9.179 202 HB2 GLU 29 2HB GLU 29 0.108 -1.705 7.137 203 HB3 GLU 29 1HB GLU 29 -0.358 -3.398 7.069 204 HG2 GLU 29 2HG GLU 29 -1.280 -2.951 5.109 205 HG3 GLU 29 1HG GLU 29 -2.528 -2.071 5.988 206 H ASP 30 H ASP 30 -3.100 -0.575 7.115 207 HA ASP 30 HA ASP 30 -2.014 1.887 7.867 208 HB2 ASP 30 2HB ASP 30 -3.553 1.573 5.952 209 HB3 ASP 30 1HB ASP 30 -4.875 1.289 7.079 210 H GLU 31 H GLU 31 -4.329 -0.201 9.454 211 HA GLU 31 HA GLU 31 -5.338 1.695 11.297 212 HB2 GLU 31 2HB GLU 31 -6.427 -0.478 10.809 213 HB3 GLU 31 1HB GLU 31 -5.105 -1.302 11.622 214 HG2 GLU 31 2HG GLU 31 -5.691 -0.237 13.716 215 HG3 GLU 31 1HG GLU 31 -6.973 0.671 12.916 216 H ALA 32 H ALA 32 -2.555 -0.443 11.309 217 HA ALA 32 HA ALA 32 -1.856 -0.000 14.030 218 HB1 ALA 32 1HB ALA 32 -0.278 -1.549 13.668 219 HB2 ALA 32 2HB ALA 32 0.344 -0.713 12.245 220 HB3 ALA 32 3HB ALA 32 -1.060 -1.769 12.103 221 H ILE 33 H ILE 33 -1.017 1.559 10.991 222 HA ILE 33 HA ILE 33 1.054 3.177 12.120 223 HB ILE 33 HB ILE 33 -0.461 3.930 9.642 224 HG12 ILE 33 2HG1 ILE 33 1.888 2.043 9.696 225 HG13 ILE 33 1HG1 ILE 33 0.218 1.492 9.648 226 HG21 ILE 33 1HG2 ILE 33 2.460 4.219 10.298 227 HG22 ILE 33 2HG2 ILE 33 1.253 5.450 10.675 228 HG23 ILE 33 3HG2 ILE 33 1.558 4.998 8.997 229 HD11 ILE 33 3HD1 ILE 33 1.384 3.346 7.602 230 HD12 ILE 33 1HD1 ILE 33 -0.136 2.455 7.521 231 HD13 ILE 33 2HD1 ILE 33 1.398 1.590 7.443 232 H ILE 34 H ILE 34 -2.388 3.615 11.498 233 HA ILE 34 HA ILE 34 -2.436 6.362 12.142 234 HB ILE 34 HB ILE 34 -4.875 6.083 12.461 235 HG12 ILE 34 2HG1 ILE 34 -4.358 3.174 11.837 236 HG13 ILE 34 1HG1 ILE 34 -4.730 3.788 13.443 237 HG21 ILE 34 1HG2 ILE 34 -5.176 6.163 10.248 238 HG22 ILE 34 2HG2 ILE 34 -4.509 4.550 10.004 239 HG23 ILE 34 3HG2 ILE 34 -3.430 5.938 10.141 240 HD11 ILE 34 3HD1 ILE 34 -6.525 3.970 11.035 241 HD12 ILE 34 1HD1 ILE 34 -6.898 4.558 12.655 242 HD13 ILE 34 2HD1 ILE 34 -6.691 2.831 12.371 243 H LYS 35 H LYS 35 -2.707 3.420 14.034 244 HA LYS 35 HA LYS 35 -3.523 4.659 16.458 245 HB2 LYS 35 2HB LYS 35 -3.794 2.243 16.019 246 HB3 LYS 35 1HB LYS 35 -2.046 2.052 16.038 247 HG2 LYS 35 2HG LYS 35 -2.462 3.240 18.438 248 HG3 LYS 35 1HG LYS 35 -3.944 2.299 18.257 249 HD2 LYS 35 2HD LYS 35 -2.262 0.402 17.554 250 HD3 LYS 35 1HD LYS 35 -1.117 1.378 18.477 251 HE2 LYS 35 2HE LYS 35 -3.712 0.892 19.778 252 HE3 LYS 35 1HE LYS 35 -2.700 -0.534 19.550 253 HZ1 LYS 35 3HZ LYS 35 -1.006 0.378 20.843 254 HZ2 LYS 35 1HZ LYS 35 -2.415 0.779 21.689 255 HZ3 LYS 35 2HZ LYS 35 -1.630 1.947 20.751 256 H GLY 36 H GLY 36 -0.408 3.828 15.043 257 HA2 GLY 36 2HA GLY 36 1.159 4.566 17.305 258 HA3 GLY 36 1HA GLY 36 1.748 4.341 15.663 259 H LEU 37 H LEU 37 -0.163 6.315 14.592 260 HA LEU 37 HA LEU 37 1.482 8.634 14.929 261 HB2 LEU 37 2HB LEU 37 -0.455 7.693 13.060 262 HB3 LEU 37 1HB LEU 37 -0.950 9.285 13.600 263 HG LEU 37 HG LEU 37 1.636 9.795 13.086 264 HD11 LEU 37 1HD1 LEU 37 2.585 8.034 12.094 265 HD12 LEU 37 2HD1 LEU 37 1.662 8.517 10.673 266 HD13 LEU 37 3HD1 LEU 37 1.033 7.269 11.749 267 HD21 LEU 37 3HD2 LEU 37 -0.717 10.613 12.103 268 HD22 LEU 37 1HD2 LEU 37 -0.087 9.770 10.687 269 HD23 LEU 37 2HD2 LEU 37 0.834 11.088 11.411 270 H ALA 38 H ALA 38 -1.692 7.605 16.022 271 HA ALA 38 HA ALA 38 -2.241 10.170 17.263 272 HB1 ALA 38 1HB ALA 38 -3.967 7.859 17.873 273 HB2 ALA 38 2HB ALA 38 -3.878 8.340 16.178 274 HB3 ALA 38 3HB ALA 38 -4.391 9.503 17.400 275 H ARG 39 H ARG 39 -0.381 7.558 18.106 276 HA ARG 39 HA ARG 39 -1.027 7.772 20.953 277 HB2 ARG 39 2HB ARG 39 0.220 5.664 19.271 278 HB3 ARG 39 1HB ARG 39 0.732 5.777 20.949 279 HG2 ARG 39 2HG ARG 39 -2.135 5.518 20.074 280 HG3 ARG 39 1HG ARG 39 -1.109 4.161 20.546 281 HD2 ARG 39 2HD ARG 39 -1.166 4.709 22.749 282 HD3 ARG 39 1HD ARG 39 -1.261 6.440 22.427 283 HE ARG 39 HE ARG 39 -3.641 5.001 21.706 284 HH11 ARG 39 1HH1 ARG 39 -1.946 6.604 24.302 285 HH12 ARG 39 2HH1 ARG 39 -3.384 6.930 25.207 286 HH21 ARG 39 1HH2 ARG 39 -5.536 5.428 22.898 287 HH22 ARG 39 2HH2 ARG 39 -5.422 6.262 24.413 288 H PHE 40 H PHE 40 1.702 7.976 18.717 289 HA PHE 40 HA PHE 40 3.036 9.773 20.575 290 HB2 PHE 40 2HB PHE 40 5.186 8.487 20.384 291 HB3 PHE 40 1HB PHE 40 3.936 7.683 21.328 292 HD1 PHE 40 1HD PHE 40 2.594 5.849 20.230 293 HD2 PHE 40 2HD PHE 40 6.143 7.457 18.518 294 HE1 PHE 40 1HE PHE 40 2.810 3.852 18.812 295 HE2 PHE 40 2HE PHE 40 6.365 5.461 17.097 296 HZ PHE 40 HZ PHE 40 4.698 3.655 17.243 297 H THR 41 H THR 41 3.524 11.481 19.389 298 HA THR 41 HA THR 41 5.066 11.199 16.973 299 HB THR 41 HB THR 41 3.500 12.510 15.570 300 HG1 THR 41 1HG THR 41 1.710 12.091 17.729 301 HG21 THR 41 3HG2 THR 41 1.908 10.785 15.075 302 HG22 THR 41 1HG2 THR 41 2.193 10.020 16.640 303 HG23 THR 41 2HG2 THR 41 3.473 10.050 15.426 304 H LYS 42 H LYS 42 6.594 12.358 18.194 305 HA LYS 42 HA LYS 42 5.912 15.182 18.684 306 HB2 LYS 42 2HB LYS 42 8.199 13.655 19.926 307 HB3 LYS 42 1HB LYS 42 7.591 15.238 20.389 308 HG2 LYS 42 2HG LYS 42 5.645 14.331 21.343 309 HG3 LYS 42 1HG LYS 42 5.902 12.764 20.571 310 HD2 LYS 42 2HD LYS 42 7.913 13.864 22.500 311 HD3 LYS 42 1HD LYS 42 6.466 13.038 23.083 312 HE2 LYS 42 2HE LYS 42 8.079 11.721 20.960 313 HE3 LYS 42 1HE LYS 42 8.723 11.738 22.602 314 HZ1 LYS 42 3HZ LYS 42 6.453 10.294 21.519 315 HZ2 LYS 42 1HZ LYS 42 6.217 10.964 23.055 316 HZ3 LYS 42 2HZ LYS 42 7.491 9.884 22.789 317 H GLY 43 H GLY 43 6.722 14.024 16.129 318 HA2 GLY 43 2HA GLY 43 8.745 15.940 15.458 319 HA3 GLY 43 1HA GLY 43 9.356 14.293 15.422 320 H GLN 44 H GLN 44 9.714 14.968 13.121 321 HA GLN 44 HA GLN 44 7.274 14.529 11.529 322 HB2 GLN 44 2HB GLN 44 8.857 16.719 11.407 323 HB3 GLN 44 1HB GLN 44 9.646 15.702 10.208 324 HG2 GLN 44 2HG GLN 44 6.725 15.840 9.981 325 HG3 GLN 44 1HG GLN 44 7.571 17.361 9.703 326 HE21 GLN 44 1HE2 GLN 44 9.533 17.122 8.236 327 HE22 GLN 44 2HE2 GLN 44 9.311 16.155 6.821 328 H GLN 45 H GLN 45 8.889 12.437 12.657 329 HA GLN 45 HA GLN 45 9.440 10.975 10.222 330 HB2 GLN 45 2HB GLN 45 11.589 11.669 12.211 331 HB3 GLN 45 1HB GLN 45 11.704 10.233 11.202 332 HG2 GLN 45 2HG GLN 45 12.743 11.572 9.758 333 HG3 GLN 45 1HG GLN 45 11.127 12.154 9.363 334 HE21 GLN 45 1HE2 GLN 45 12.306 14.088 8.712 335 HE22 GLN 45 2HE2 GLN 45 12.690 15.274 9.908 336 H ARG 46 H ARG 46 7.553 10.834 12.455 337 HA ARG 46 HA ARG 46 8.350 8.523 14.002 338 HB2 ARG 46 2HB ARG 46 5.738 10.037 13.857 339 HB3 ARG 46 1HB ARG 46 6.054 8.703 14.959 340 HG2 ARG 46 2HG ARG 46 8.041 10.853 15.057 341 HG3 ARG 46 1HG ARG 46 6.414 11.329 15.546 342 HD2 ARG 46 2HD ARG 46 6.781 10.406 17.532 343 HD3 ARG 46 1HD ARG 46 6.914 8.833 16.748 344 HE ARG 46 HE ARG 46 9.379 9.887 16.421 345 HH11 ARG 46 1HH1 ARG 46 7.324 9.474 19.211 346 HH12 ARG 46 2HH1 ARG 46 8.645 9.310 20.318 347 HH21 ARG 46 1HH2 ARG 46 11.119 9.669 17.875 348 HH22 ARG 46 2HH2 ARG 46 10.800 9.419 19.558 349 H PHE 47 H PHE 47 6.611 9.184 11.088 350 HA PHE 47 HA PHE 47 4.920 7.010 10.859 351 HB2 PHE 47 2HB PHE 47 6.568 8.167 8.603 352 HB3 PHE 47 1HB PHE 47 5.031 7.322 8.466 353 HD1 PHE 47 2HD PHE 47 2.951 8.408 9.159 354 HD2 PHE 47 1HD PHE 47 6.673 10.470 9.227 355 HE1 PHE 47 2HE PHE 47 1.756 10.553 9.319 356 HE2 PHE 47 1HE PHE 47 5.485 12.618 9.386 357 HZ PHE 47 HZ PHE 47 3.023 12.662 9.432 358 H GLN 48 H GLN 48 8.362 7.218 10.018 359 HA GLN 48 HA GLN 48 8.616 4.606 9.010 360 HB2 GLN 48 2HB GLN 48 10.847 6.059 10.411 361 HB3 GLN 48 1HB GLN 48 10.945 4.953 9.047 362 HG2 GLN 48 2HG GLN 48 9.677 6.698 7.721 363 HG3 GLN 48 1HG GLN 48 9.980 7.795 9.066 364 HE21 GLN 48 1HE2 GLN 48 11.147 9.102 7.568 365 HE22 GLN 48 2HE2 GLN 48 12.774 8.703 7.142 366 H GLN 49 H GLN 49 9.161 5.932 12.255 367 HA GLN 49 HA GLN 49 10.125 3.622 13.483 368 HB2 GLN 49 2HB GLN 49 8.842 6.130 14.398 369 HB3 GLN 49 1HB GLN 49 8.801 4.783 15.527 370 HG2 GLN 49 2HG GLN 49 11.354 4.633 14.954 371 HG3 GLN 49 1HG GLN 49 11.125 6.320 14.491 372 HE21 GLN 49 1HE2 GLN 49 12.041 7.442 16.078 373 HE22 GLN 49 2HE2 GLN 49 11.677 7.278 17.759 374 H ILE 50 H ILE 50 6.786 4.798 13.176 375 HA ILE 50 HA ILE 50 5.532 2.744 14.595 376 HB ILE 50 HB ILE 50 4.428 4.263 12.229 377 HG12 ILE 50 2HG1 ILE 50 3.987 4.891 15.143 378 HG13 ILE 50 1HG1 ILE 50 5.318 5.599 14.234 379 HG21 ILE 50 1HG2 ILE 50 2.259 3.787 13.593 380 HG22 ILE 50 2HG2 ILE 50 3.202 2.460 14.267 381 HG23 ILE 50 3HG2 ILE 50 2.921 2.548 12.529 382 HD11 ILE 50 3HD1 ILE 50 2.603 5.818 13.077 383 HD12 ILE 50 1HD1 ILE 50 3.954 6.949 13.030 384 HD13 ILE 50 2HD1 ILE 50 2.980 6.800 14.492 385 H TYR 51 H TYR 51 6.514 2.964 11.219 386 HA TYR 51 HA TYR 51 5.247 0.668 10.258 387 HB2 TYR 51 2HB TYR 51 6.275 2.300 8.764 388 HB3 TYR 51 1HB TYR 51 7.870 1.886 9.384 389 HD1 TYR 51 1HD TYR 51 4.911 0.145 7.886 390 HD2 TYR 51 2HD TYR 51 9.149 0.476 8.091 391 HE1 TYR 51 1HE TYR 51 5.126 -1.604 6.171 392 HE2 TYR 51 2HE TYR 51 9.374 -1.272 6.377 393 HH TYR 51 HH TYR 51 8.054 -2.260 4.570 394 H TYR 52 H TYR 52 8.435 1.085 11.717 395 HA TYR 52 HA TYR 52 9.212 -1.628 11.452 396 HB2 TYR 52 2HB TYR 52 10.213 0.714 13.023 397 HB3 TYR 52 1HB TYR 52 10.818 -0.894 13.404 398 HD1 TYR 52 2HD TYR 52 11.847 -2.251 11.482 399 HD2 TYR 52 1HD TYR 52 11.134 1.937 11.259 400 HE1 TYR 52 2HE TYR 52 13.470 -2.078 9.641 401 HE2 TYR 52 1HE TYR 52 12.753 2.121 9.417 402 HH TYR 52 HH TYR 52 14.893 -0.393 8.594 403 H ALA 53 H ALA 53 7.328 0.098 13.822 404 HA ALA 53 HA ALA 53 7.530 -1.930 15.837 405 HB1 ALA 53 1HB ALA 53 6.190 -0.595 17.139 406 HB2 ALA 53 2HB ALA 53 5.260 -0.001 15.763 407 HB3 ALA 53 3HB ALA 53 6.894 0.602 16.051 408 H TYR 54 H TYR 54 4.952 -0.923 13.615 409 HA TYR 54 HA TYR 54 3.361 -3.230 14.251 410 HB2 TYR 54 2HB TYR 54 1.651 -2.172 13.209 411 HB3 TYR 54 1HB TYR 54 2.690 -0.770 13.403 412 HD1 TYR 54 2HD TYR 54 1.557 -3.339 10.996 413 HD2 TYR 54 1HD TYR 54 3.554 0.379 11.515 414 HE1 TYR 54 2HE TYR 54 1.485 -2.970 8.566 415 HE2 TYR 54 1HE TYR 54 3.482 0.763 9.088 416 HH TYR 54 HH TYR 54 1.631 -0.404 7.091 417 H ARG 55 H ARG 55 6.097 -2.986 12.462 418 HA ARG 55 HA ARG 55 5.582 -4.185 10.025 419 HB2 ARG 55 2HB ARG 55 7.883 -4.886 9.999 420 HB3 ARG 55 1HB ARG 55 7.790 -3.307 10.763 421 HG2 ARG 55 2HG ARG 55 9.156 -4.286 12.260 422 HG3 ARG 55 1HG ARG 55 7.630 -4.852 12.944 423 HD2 ARG 55 2HD ARG 55 7.878 -6.914 11.535 424 HD3 ARG 55 1HD ARG 55 9.496 -6.353 11.114 425 HE ARG 55 HE ARG 55 9.456 -6.327 13.841 426 HH11 ARG 55 1HH1 ARG 55 8.837 -8.745 11.402 427 HH12 ARG 55 2HH1 ARG 55 9.360 -10.062 12.397 428 HH21 ARG 55 1HH2 ARG 55 10.146 -8.059 15.150 429 HH22 ARG 55 2HH2 ARG 55 10.104 -9.672 14.524 430 H SER 56 H SER 56 5.462 -5.577 13.193 431 HA SER 56 HA SER 56 5.791 -8.289 12.528 432 HB2 SER 56 2HB SER 56 4.820 -6.753 14.828 433 HB3 SER 56 1HB SER 56 4.044 -8.327 14.657 434 HG SER 56 HG SER 56 6.042 -9.303 14.741 435 H VAL 57 H VAL 57 3.232 -6.110 11.877 436 HA VAL 57 HA VAL 57 1.232 -8.199 11.572 437 HB VAL 57 HB VAL 57 1.062 -5.233 11.017 438 HG11 VAL 57 1HG1 VAL 57 -0.635 -6.014 9.698 439 HG12 VAL 57 2HG1 VAL 57 -1.480 -5.907 11.244 440 HG13 VAL 57 3HG1 VAL 57 -0.876 -7.463 10.675 441 HG21 VAL 57 3HG2 VAL 57 1.387 -5.848 13.388 442 HG22 VAL 57 1HG2 VAL 57 -0.074 -6.831 13.302 443 HG23 VAL 57 2HG2 VAL 57 -0.171 -5.085 13.076 444 H TRP 58 H TRP 58 2.043 -5.510 9.391 445 HA TRP 58 HA TRP 58 2.006 -7.442 7.174 446 HB2 TRP 58 2HB TRP 58 0.156 -5.612 7.415 447 HB3 TRP 58 1HB TRP 58 1.398 -4.533 6.790 448 HD1 TRP 58 HD TRP 58 0.079 -8.033 5.708 449 HE1 TRP 58 1HE TRP 58 -0.249 -7.987 3.154 450 HE3 TRP 58 3HE TRP 58 1.554 -3.229 4.792 451 HZ2 TRP 58 2HZ TRP 58 0.075 -6.152 1.031 452 HZ3 TRP 58 3HZ TRP 58 1.516 -2.402 2.473 453 HH2 TRP 58 HH TRP 58 0.791 -3.835 0.634 454 H HIS 59 H HIS 59 3.598 -7.380 5.657 455 HA HIS 59 HA HIS 59 5.695 -7.055 4.836 456 HB2 HIS 59 2HB HIS 59 4.531 -4.351 5.175 457 HB3 HIS 59 1HB HIS 59 6.267 -4.425 4.889 458 HD1 HIS 59 1HD HIS 59 3.769 -3.503 2.937 459 HD2 HIS 59 2HD HIS 59 6.226 -6.839 2.632 460 HE1 HIS 59 1HE HIS 59 3.677 -4.185 0.519 461 HE2 HIS 59 2HE HIS 59 5.230 -6.161 0.343 462 HA PRO 60 HA PRO 60 7.833 -6.871 8.873 463 HB2 PRO 60 2HB PRO 60 9.415 -9.006 8.479 464 HB3 PRO 60 1HB PRO 60 7.718 -9.178 8.944 465 HG2 PRO 60 2HG PRO 60 8.977 -9.445 6.243 466 HG3 PRO 60 1HG PRO 60 7.732 -10.453 7.001 467 HD2 PRO 60 2HD PRO 60 7.192 -8.490 5.170 468 HD3 PRO 60 1HD PRO 60 6.042 -9.022 6.411 469 H ALA 61 H ALA 61 9.070 -7.058 5.601 470 HA ALA 61 HA ALA 61 11.767 -6.385 6.253 471 HB1 ALA 61 1HB ALA 61 10.613 -7.447 4.069 472 HB2 ALA 61 2HB ALA 61 12.202 -6.681 4.059 473 HB3 ALA 61 3HB ALA 61 10.781 -5.772 3.543 474 H ARG 62 H ARG 62 12.460 -4.385 4.518 475 HA ARG 62 HA ARG 62 11.332 -2.050 5.869 476 HB2 ARG 62 2HB ARG 62 13.742 -2.147 4.053 477 HB3 ARG 62 1HB ARG 62 13.296 -0.864 5.169 478 HG2 ARG 62 2HG ARG 62 14.518 -1.812 6.746 479 HG3 ARG 62 1HG ARG 62 13.506 -3.255 6.668 480 HD2 ARG 62 2HD ARG 62 14.931 -3.969 4.693 481 HD3 ARG 62 1HD ARG 62 16.031 -2.668 5.143 482 HE ARG 62 HE ARG 62 16.750 -3.928 6.918 483 HH11 ARG 62 1HH1 ARG 62 13.822 -5.330 5.637 484 HH12 ARG 62 2HH1 ARG 62 13.940 -6.765 6.598 485 HH21 ARG 62 1HH2 ARG 62 16.906 -5.815 8.183 486 HH22 ARG 62 2HH2 ARG 62 15.690 -7.041 8.045 487 H THR 63 H THR 63 10.243 -0.457 4.851 488 HA THR 63 HA THR 63 10.278 -0.045 2.036 489 HB THR 63 HB THR 63 7.515 -0.717 2.701 490 HG1 THR 63 1HG THR 63 9.276 -2.912 2.471 491 HG21 THR 63 3HG2 THR 63 8.871 -2.218 0.592 492 HG22 THR 63 1HG2 THR 63 8.942 -0.465 0.409 493 HG23 THR 63 2HG2 THR 63 7.381 -1.276 0.546 494 H VAL 64 H VAL 64 10.731 1.609 4.209 495 HA VAL 64 HA VAL 64 8.611 3.083 5.193 496 HB VAL 64 HB VAL 64 11.343 4.132 4.438 497 HG11 VAL 64 1HG1 VAL 64 10.931 5.909 6.023 498 HG12 VAL 64 2HG1 VAL 64 9.345 5.242 6.405 499 HG13 VAL 64 3HG1 VAL 64 9.659 5.904 4.801 500 HG21 VAL 64 3HG2 VAL 64 11.899 2.544 5.970 501 HG22 VAL 64 1HG2 VAL 64 10.307 2.564 6.730 502 HG23 VAL 64 2HG2 VAL 64 11.470 3.844 7.081 503 H SER 65 H SER 65 10.196 3.294 2.062 504 HA SER 65 HA SER 65 9.055 5.707 1.187 505 HB2 SER 65 2HB SER 65 10.895 4.131 0.108 506 HB3 SER 65 1HB SER 65 9.504 3.479 -0.759 507 HG SER 65 HG SER 65 10.075 6.248 -0.645 508 H GLN 66 H GLN 66 8.003 2.353 0.816 509 HA GLN 66 HA GLN 66 5.628 2.866 -0.593 510 HB2 GLN 66 2HB GLN 66 6.907 0.613 0.099 511 HB3 GLN 66 1HB GLN 66 5.674 0.615 1.351 512 HG2 GLN 66 2HG GLN 66 3.941 0.767 -0.390 513 HG3 GLN 66 1HG GLN 66 5.202 0.682 -1.620 514 HE21 GLN 66 1HE2 GLN 66 4.238 -1.204 -2.448 515 HE22 GLN 66 2HE2 GLN 66 4.432 -2.731 -1.663 516 H LEU 67 H LEU 67 6.447 2.985 2.797 517 HA LEU 67 HA LEU 67 3.865 3.047 3.891 518 HB2 LEU 67 2HB LEU 67 6.132 2.806 5.068 519 HB3 LEU 67 1HB LEU 67 6.237 4.551 4.974 520 HG LEU 67 HG LEU 67 5.476 4.122 7.139 521 HD11 LEU 67 1HD1 LEU 67 3.264 5.042 7.253 522 HD12 LEU 67 2HD1 LEU 67 2.949 4.605 5.574 523 HD13 LEU 67 3HD1 LEU 67 4.152 5.837 5.956 524 HD21 LEU 67 3HD2 LEU 67 4.828 2.006 7.454 525 HD22 LEU 67 1HD2 LEU 67 4.073 1.881 5.867 526 HD23 LEU 67 2HD2 LEU 67 3.214 2.655 7.198 527 H TYR 68 H TYR 68 6.038 5.684 2.979 528 HA TYR 68 HA TYR 68 4.253 7.771 3.576 529 HB2 TYR 68 2HB TYR 68 6.640 7.560 1.751 530 HB3 TYR 68 1HB TYR 68 5.704 9.045 1.864 531 HD1 TYR 68 1HD TYR 68 6.120 6.949 4.839 532 HD2 TYR 68 2HD TYR 68 7.668 10.264 2.659 533 HE1 TYR 68 1HE TYR 68 7.431 7.624 6.805 534 HE2 TYR 68 2HE TYR 68 8.982 10.946 4.623 535 HH TYR 68 HH TYR 68 8.466 9.668 7.715 536 H ASP 69 H ASP 69 4.564 5.620 0.880 537 HA ASP 69 HA ASP 69 3.095 7.095 -1.020 538 HB2 ASP 69 2HB ASP 69 4.581 5.108 -1.480 539 HB3 ASP 69 1HB ASP 69 3.295 4.087 -0.839 540 H HIS 70 H HIS 70 2.084 4.482 1.185 541 HA HIS 70 HA HIS 70 -0.654 4.835 0.376 542 HB2 HIS 70 2HB HIS 70 -1.198 3.113 2.035 543 HB3 HIS 70 1HB HIS 70 0.078 2.602 0.942 544 HD1 HIS 70 1HD HIS 70 1.563 1.148 2.220 545 HD2 HIS 70 2HD HIS 70 0.393 4.468 4.425 546 HE1 HIS 70 1HE HIS 70 2.798 0.974 4.395 547 HE2 HIS 70 2HE HIS 70 1.971 2.921 5.763 548 H TRP 71 H TRP 71 1.399 6.284 2.656 549 HA TRP 71 HA TRP 71 -0.749 7.116 4.413 550 HB2 TRP 71 2HB TRP 71 2.030 6.904 4.694 551 HB3 TRP 71 1HB TRP 71 1.714 8.632 4.698 552 HD1 TRP 71 HD TRP 71 2.710 6.945 7.263 553 HE1 TRP 71 1HE TRP 71 1.313 7.042 9.418 554 HE3 TRP 71 3HE TRP 71 -1.772 8.446 5.282 555 HZ2 TRP 71 2HZ TRP 71 -1.323 7.670 10.184 556 HZ3 TRP 71 3HZ TRP 71 -3.674 8.770 6.802 557 HH2 TRP 71 HH TRP 71 -3.455 8.390 9.202 558 H ARG 72 H ARG 72 1.058 8.276 1.664 559 HA ARG 72 HA ARG 72 0.131 10.996 1.892 560 HB2 ARG 72 2HB ARG 72 2.293 10.340 0.799 561 HB3 ARG 72 1HB ARG 72 1.360 9.621 -0.505 562 HG2 ARG 72 2HG ARG 72 0.642 11.669 -1.299 563 HG3 ARG 72 1HG ARG 72 0.940 12.483 0.239 564 HD2 ARG 72 2HD ARG 72 2.749 13.248 -0.898 565 HD3 ARG 72 1HD ARG 72 3.435 11.735 -0.308 566 HE ARG 72 HE ARG 72 3.491 10.955 -2.461 567 HH11 ARG 72 1HH1 ARG 72 1.454 13.786 -2.333 568 HH12 ARG 72 2HH1 ARG 72 1.293 13.902 -4.052 569 HH21 ARG 72 1HH2 ARG 72 3.281 11.106 -4.723 570 HH22 ARG 72 2HH2 ARG 72 2.330 12.380 -5.409 571 H GLY 73 H GLY 73 -0.825 8.061 0.240 572 HA2 GLY 73 2HA GLY 73 -2.785 9.372 -1.423 573 HA3 GLY 73 1HA GLY 73 -2.552 7.639 -1.248 574 H THR 74 H THR 74 -2.814 7.562 1.613 575 HA THR 74 HA THR 74 -5.667 7.449 1.774 576 HB THR 74 HB THR 74 -5.239 6.753 4.143 577 HG1 THR 74 1HG THR 74 -3.164 6.583 4.856 578 HG21 THR 74 3HG2 THR 74 -3.509 4.843 3.327 579 HG22 THR 74 1HG2 THR 74 -4.184 5.376 1.788 580 HG23 THR 74 2HG2 THR 74 -5.253 4.798 3.067 581 H LEU 75 H LEU 75 -3.181 9.430 3.371 582 HA LEU 75 HA LEU 75 -4.876 10.952 4.976 583 HB2 LEU 75 2HB LEU 75 -2.451 10.946 5.231 584 HB3 LEU 75 1HB LEU 75 -2.268 11.745 3.682 585 HG LEU 75 HG LEU 75 -3.976 13.220 5.546 586 HD11 LEU 75 1HD1 LEU 75 -1.086 12.723 6.238 587 HD12 LEU 75 2HD1 LEU 75 -2.499 12.331 7.218 588 HD13 LEU 75 3HD1 LEU 75 -2.073 14.016 6.920 589 HD21 LEU 75 3HD2 LEU 75 -3.360 14.420 3.679 590 HD22 LEU 75 1HD2 LEU 75 -1.725 13.758 3.660 591 HD23 LEU 75 2HD2 LEU 75 -2.170 14.970 4.858 592 H ARG 76 H ARG 76 -3.803 11.501 1.644 593 HA ARG 76 HA ARG 76 -5.519 13.857 1.457 594 HB2 ARG 76 2HB ARG 76 -3.044 13.295 0.395 595 HB3 ARG 76 1HB ARG 76 -4.111 13.005 -0.972 596 HG2 ARG 76 2HG ARG 76 -5.120 15.323 -0.290 597 HG3 ARG 76 1HG ARG 76 -3.553 15.534 0.494 598 HD2 ARG 76 2HD ARG 76 -2.956 14.510 -2.025 599 HD3 ARG 76 1HD ARG 76 -4.252 15.671 -2.310 600 HE ARG 76 HE ARG 76 -2.155 16.673 -0.620 601 HH11 ARG 76 1HH1 ARG 76 -3.209 16.237 -3.918 602 HH12 ARG 76 2HH1 ARG 76 -2.237 17.531 -4.533 603 HH21 ARG 76 1HH2 ARG 76 -0.876 18.376 -1.426 604 HH22 ARG 76 2HH2 ARG 76 -0.912 18.746 -3.118 605 H TYR 77 H TYR 77 -7.600 13.216 1.266 606 HA TYR 77 HA TYR 77 -8.246 11.494 -1.033 607 HB2 TYR 77 2HB TYR 77 -8.993 11.184 1.790 608 HB3 TYR 77 1HB TYR 77 -10.353 11.083 0.678 609 HD1 TYR 77 2HD TYR 77 -9.308 9.724 -1.634 610 HD2 TYR 77 1HD TYR 77 -8.446 9.047 2.476 611 HE1 TYR 77 2HE TYR 77 -8.720 7.393 -2.148 612 HE2 TYR 77 1HE TYR 77 -7.855 6.713 1.974 613 HH TYR 77 HH TYR 77 -8.313 5.026 0.255 614 H LYS 78 H LYS 78 -10.855 11.674 -1.255 615 HA LYS 78 HA LYS 78 -11.919 14.286 -0.804 616 HB2 LYS 78 2HB LYS 78 -10.475 13.750 -3.280 617 HB3 LYS 78 1HB LYS 78 -12.130 14.266 -3.571 618 HG2 LYS 78 2HG LYS 78 -10.350 15.787 -1.707 619 HG3 LYS 78 1HG LYS 78 -10.289 16.048 -3.451 620 HD2 LYS 78 2HD LYS 78 -11.884 17.582 -2.997 621 HD3 LYS 78 1HD LYS 78 -12.949 16.176 -3.047 622 HE2 LYS 78 2HE LYS 78 -11.922 16.255 -0.445 623 HE3 LYS 78 1HE LYS 78 -12.322 17.924 -0.847 624 HZ1 LYS 78 3HZ LYS 78 -14.550 17.199 -1.459 625 HZ2 LYS 78 1HZ LYS 78 -14.202 16.791 0.147 626 HZ3 LYS 78 2HZ LYS 78 -14.163 15.602 -1.055 627 H VAL 79 H VAL 79 -13.877 14.446 -2.661 628 HA VAL 79 HA VAL 79 -16.033 13.739 -2.922 629 HB VAL 79 HB VAL 79 -14.845 12.584 -4.771 630 HG11 VAL 79 1HG1 VAL 79 -14.571 10.088 -4.524 631 HG12 VAL 79 2HG1 VAL 79 -14.738 10.327 -2.786 632 HG13 VAL 79 3HG1 VAL 79 -13.400 11.080 -3.654 633 HG21 VAL 79 3HG2 VAL 79 -16.972 10.694 -3.922 634 HG22 VAL 79 1HG2 VAL 79 -16.724 11.498 -5.472 635 HG23 VAL 79 2HG2 VAL 79 -17.398 12.395 -4.111 636 H ILE 80 H ILE 80 -14.916 13.299 -0.243 637 HA ILE 80 HA ILE 80 -16.890 11.339 0.656 638 HB ILE 80 HB ILE 80 -13.996 11.300 1.533 639 HG12 ILE 80 2HG1 ILE 80 -15.605 9.066 0.295 640 HG13 ILE 80 1HG1 ILE 80 -14.654 10.189 -0.671 641 HG21 ILE 80 1HG2 ILE 80 -16.353 9.714 2.549 642 HG22 ILE 80 2HG2 ILE 80 -15.443 10.934 3.440 643 HG23 ILE 80 3HG2 ILE 80 -14.668 9.419 2.977 644 HD11 ILE 80 3HD1 ILE 80 -13.451 8.120 -0.264 645 HD12 ILE 80 1HD1 ILE 80 -13.587 8.372 1.476 646 HD13 ILE 80 2HD1 ILE 80 -12.635 9.487 0.496 647 H GLN 81 H GLN 81 -18.053 12.105 2.299 648 HA GLN 81 HA GLN 81 -16.912 14.274 3.936 649 HB2 GLN 81 2HB GLN 81 -19.805 14.029 3.096 650 HB3 GLN 81 1HB GLN 81 -19.088 15.339 4.023 651 HG2 GLN 81 2HG GLN 81 -18.143 16.305 2.201 652 HG3 GLN 81 1HG GLN 81 -17.933 14.771 1.357 653 HE21 GLN 81 1HE2 GLN 81 -19.932 13.741 0.558 654 HE22 GLN 81 2HE2 GLN 81 -21.186 14.762 -0.052 655 H GLN 82 H GLN 82 -16.485 13.328 5.835 656 HA GLN 82 HA GLN 82 -18.481 11.500 6.982 657 HB2 GLN 82 2HB GLN 82 -16.052 10.783 6.703 658 HB3 GLN 82 1HB GLN 82 -15.667 11.934 7.975 659 HG2 GLN 82 2HG GLN 82 -17.069 10.741 9.534 660 HG3 GLN 82 1HG GLN 82 -17.587 9.635 8.264 661 HE21 GLN 82 1HE2 GLN 82 -16.494 7.812 8.028 662 HE22 GLN 82 2HE2 GLN 82 -14.940 7.473 8.702 663 H GLN 83 H GLN 83 -19.736 12.191 8.580 664 HA GLN 83 HA GLN 83 -18.760 14.320 10.346 665 HB2 GLN 83 2HB GLN 83 -20.559 14.855 8.365 666 HB3 GLN 83 1HB GLN 83 -21.631 14.470 9.705 667 HG2 GLN 83 2HG GLN 83 -19.556 16.212 10.616 668 HG3 GLN 83 1HG GLN 83 -20.311 16.892 9.176 669 HE21 GLN 83 1HE2 GLN 83 -20.580 16.368 12.506 670 HE22 GLN 83 2HE2 GLN 83 -22.188 16.965 12.718 671 H GLY 84 H GLY 84 -19.934 14.464 12.388 672 HA2 GLY 84 2HA GLY 84 -21.839 12.519 13.174 673 HA3 GLY 84 1HA GLY 84 -20.230 12.008 13.661 674 H TYR 85 H TYR 85 -22.929 13.566 14.686 675 HA TYR 85 HA TYR 85 -23.441 14.850 16.492 676 HB2 TYR 85 2HB TYR 85 -20.720 13.821 17.237 677 HB3 TYR 85 1HB TYR 85 -21.560 14.962 18.282 678 HD1 TYR 85 1HD TYR 85 -21.956 11.652 16.629 679 HD2 TYR 85 2HD TYR 85 -23.141 14.199 19.823 680 HE1 TYR 85 1HE TYR 85 -23.207 9.792 17.639 681 HE2 TYR 85 2HE TYR 85 -24.396 12.347 20.843 682 HH TYR 85 HH TYR 85 -25.066 9.449 19.189 683 H ARG 86 H ARG 86 -23.008 16.918 17.560 684 HA ARG 86 HA ARG 86 -21.983 18.831 15.711 685 HB2 ARG 86 2HB ARG 86 -23.289 18.913 18.381 686 HB3 ARG 86 1HB ARG 86 -22.349 20.319 17.904 687 HG2 ARG 86 2HG ARG 86 -24.157 21.037 16.842 688 HG3 ARG 86 1HG ARG 86 -23.889 19.744 15.673 689 HD2 ARG 86 2HD ARG 86 -25.237 18.247 17.172 690 HD3 ARG 86 1HD ARG 86 -25.640 19.676 18.125 691 HE ARG 86 HE ARG 86 -26.727 18.929 15.576 692 HH11 ARG 86 1HH1 ARG 86 -26.063 21.605 17.716 693 HH12 ARG 86 2HH1 ARG 86 -27.296 22.614 17.040 694 HH21 ARG 86 1HH2 ARG 86 -28.351 20.256 14.686 695 HH22 ARG 86 2HH2 ARG 86 -28.595 21.849 15.319 696 H GLY 87 H GLY 87 -19.927 19.373 15.452 697 HA2 GLY 87 2HA GLY 87 -17.735 19.881 15.917 698 HA3 GLY 87 1HA GLY 87 -18.216 20.074 17.595 699 H LYS 88 H LYS 88 -17.366 18.696 19.003 700 HA LYS 88 HA LYS 88 -16.641 16.002 18.106 701 HB2 LYS 88 2HB LYS 88 -14.756 18.020 18.502 702 HB3 LYS 88 1HB LYS 88 -14.681 17.058 19.972 703 HG2 LYS 88 2HG LYS 88 -14.176 15.081 18.745 704 HG3 LYS 88 1HG LYS 88 -14.502 15.885 17.208 705 HD2 LYS 88 2HD LYS 88 -12.576 17.466 18.475 706 HD3 LYS 88 1HD LYS 88 -12.069 15.801 18.761 707 HE2 LYS 88 2HE LYS 88 -12.885 15.927 16.074 708 HE3 LYS 88 1HE LYS 88 -11.908 17.367 16.360 709 HZ1 LYS 88 3HZ LYS 88 -10.425 15.500 17.549 710 HZ2 LYS 88 1HZ LYS 88 -10.231 15.957 15.933 711 HZ3 LYS 88 2HZ LYS 88 -11.126 14.575 16.320 712 H ASN 89 H ASN 89 -16.692 14.417 19.702 713 HA ASN 89 HA ASN 89 -17.697 15.274 22.335 714 HB2 ASN 89 2HB ASN 89 -19.161 13.270 22.344 715 HB3 ASN 89 1HB ASN 89 -19.580 14.411 21.069 716 HD21 ASN 89 1HD2 ASN 89 -18.530 11.247 21.826 717 HD22 ASN 89 2HD2 ASN 89 -18.451 10.642 20.210 718 H SER 90 H SER 90 -17.753 13.057 23.748 719 HA SER 90 HA SER 90 -15.422 11.413 23.321 720 HB2 SER 90 2HB SER 90 -14.417 13.419 24.333 721 HB3 SER 90 1HB SER 90 -15.521 13.283 25.700 722 HG SER 90 HG SER 90 -13.646 11.296 24.930 723 H VAL 91 H VAL 91 -15.096 9.961 25.351 724 HA VAL 91 HA VAL 91 -17.723 9.309 26.511 725 HB VAL 91 HB VAL 91 -15.719 7.246 25.593 726 HG11 VAL 91 1HG1 VAL 91 -17.096 5.665 26.424 727 HG12 VAL 91 2HG1 VAL 91 -18.554 6.566 26.007 728 HG13 VAL 91 3HG1 VAL 91 -17.648 6.979 27.464 729 HG21 VAL 91 3HG2 VAL 91 -16.825 8.623 23.753 730 HG22 VAL 91 1HG2 VAL 91 -18.335 7.854 24.245 731 HG23 VAL 91 2HG2 VAL 91 -16.993 6.870 23.657 732 H ALA 92 H ALA 92 -16.408 10.774 28.117 733 HA ALA 92 HA ALA 92 -15.404 10.968 30.149 734 HB1 ALA 92 1HB ALA 92 -17.087 9.218 30.689 735 HB2 ALA 92 2HB ALA 92 -15.640 9.147 31.693 736 HB3 ALA 92 3HB ALA 92 -15.856 7.997 30.375 737 H ALA 93 H ALA 93 -13.783 10.330 27.763 738 HA ALA 93 HA ALA 93 -11.268 10.117 28.985 739 HB1 ALA 93 1HB ALA 93 -12.312 7.682 29.040 740 HB2 ALA 93 2HB ALA 93 -10.594 7.953 28.742 741 HB3 ALA 93 3HB ALA 93 -11.687 7.646 27.392 742 H ARG 94 H ARG 94 -10.049 11.305 27.686 743 HA ARG 94 HA ARG 94 -9.744 10.734 24.915 744 HB2 ARG 94 2HB ARG 94 -11.835 12.530 25.605 745 HB3 ARG 94 1HB ARG 94 -10.549 13.480 24.875 746 HG2 ARG 94 2HG ARG 94 -11.196 10.999 23.452 747 HG3 ARG 94 1HG ARG 94 -12.497 12.189 23.502 748 HD2 ARG 94 2HD ARG 94 -11.497 13.320 21.874 749 HD3 ARG 94 1HD ARG 94 -10.113 13.591 22.932 750 HE ARG 94 HE ARG 94 -8.948 12.048 21.720 751 HH11 ARG 94 1HH1 ARG 94 -12.352 11.582 21.117 752 HH12 ARG 94 2HH1 ARG 94 -12.097 10.399 19.876 753 HH21 ARG 94 1HH2 ARG 94 -8.611 10.495 20.090 754 HH22 ARG 94 2HH2 ARG 94 -9.974 9.782 19.294 755 H SER 95 H SER 95 -7.565 10.683 25.333 756 HA SER 95 HA SER 95 -6.173 12.684 26.774 757 HB2 SER 95 2HB SER 95 -5.505 10.256 25.294 758 HB3 SER 95 1HB SER 95 -4.281 11.514 25.124 759 HG SER 95 HG SER 95 -4.059 11.574 27.338 760 HA PRO 96 HA PRO 96 -4.857 14.212 22.285 761 HB2 PRO 96 2HB PRO 96 -7.311 13.386 20.830 762 HB3 PRO 96 1HB PRO 96 -5.627 13.374 20.295 763 HG2 PRO 96 2HG PRO 96 -6.878 11.104 20.926 764 HG3 PRO 96 1HG PRO 96 -5.172 11.356 21.340 765 HD2 PRO 96 2HD PRO 96 -7.591 11.501 23.092 766 HD3 PRO 96 1HD PRO 96 -5.975 10.857 23.449 767 H GLU 97 H GLU 97 -5.390 16.022 23.682 768 HA GLU 97 HA GLU 97 -7.766 17.454 22.721 769 HB2 GLU 97 2HB GLU 97 -7.860 16.356 25.139 770 HB3 GLU 97 1HB GLU 97 -6.974 17.812 25.572 771 HG2 GLU 97 2HG GLU 97 -9.106 18.522 25.916 772 HG3 GLU 97 1HG GLU 97 -8.895 18.991 24.230 773 H LYS 98 H LYS 98 -7.626 19.767 22.895 774 HA LYS 98 HA LYS 98 -4.839 20.707 22.846 775 HB2 LYS 98 2HB LYS 98 -6.671 20.945 20.889 776 HB3 LYS 98 1HB LYS 98 -7.013 22.422 21.781 777 HG2 LYS 98 2HG LYS 98 -5.449 23.223 20.353 778 HG3 LYS 98 1HG LYS 98 -4.380 22.672 21.643 779 HD2 LYS 98 2HD LYS 98 -3.437 21.134 20.325 780 HD3 LYS 98 1HD LYS 98 -5.004 20.550 19.764 781 HE2 LYS 98 2HE LYS 98 -4.944 22.818 18.399 782 HE3 LYS 98 1HE LYS 98 -3.204 22.606 18.593 783 HZ1 LYS 98 3HZ LYS 98 -5.106 21.036 17.040 784 HZ2 LYS 98 1HZ LYS 98 -3.855 20.181 17.794 785 HZ3 LYS 98 2HZ LYS 98 -3.494 21.424 16.705 786 H ALA 99 H ALA 99 -4.826 20.872 25.177 787 HA ALA 99 HA ALA 99 -5.774 23.473 26.055 788 HB1 ALA 99 1HB ALA 99 -6.378 21.307 27.976 789 HB2 ALA 99 2HB ALA 99 -7.443 21.450 26.577 790 HB3 ALA 99 3HB ALA 99 -7.228 22.821 27.665 791 H SER 100 H SER 100 -4.219 24.442 27.178 792 HA SER 100 HA SER 100 -2.132 22.764 28.403 793 HB2 SER 100 2HB SER 100 -2.037 25.365 26.943 794 HB3 SER 100 1HB SER 100 -0.862 25.091 28.228 795 HG SER 100 HG SER 100 -1.317 23.282 26.093 796 H ASN 101 H ASN 101 -4.239 25.537 28.850 797 HA ASN 101 HA ASN 101 -3.235 26.156 31.470 798 HB2 ASN 101 2HB ASN 101 -5.246 27.675 31.556 799 HB3 ASN 101 1HB ASN 101 -4.150 27.972 30.210 800 HD21 ASN 101 1HD2 ASN 101 -4.984 28.055 28.247 801 HD22 ASN 101 2HD2 ASN 101 -6.562 27.518 27.797 802 H MET 102 H MET 102 -3.552 23.725 31.976 803 HA MET 102 HA MET 102 -6.252 23.309 33.075 804 HB2 MET 102 2HB MET 102 -4.451 21.580 31.610 805 HB3 MET 102 1HB MET 102 -4.881 20.866 33.158 806 HG2 MET 102 2HG MET 102 -7.114 20.714 32.625 807 HG3 MET 102 1HG MET 102 -7.020 21.991 31.415 808 HE1 MET 102 3HE MET 102 -8.313 18.903 29.665 809 HE2 MET 102 1HE MET 102 -8.583 19.626 31.251 810 HE3 MET 102 2HE MET 102 -7.754 18.075 31.119 811 H GLU 103 H GLU 103 -6.174 21.758 35.042 812 HA GLU 103 HA GLU 103 -5.646 21.468 37.234 813 HB2 GLU 103 2HB GLU 103 -3.357 20.926 35.855 814 HB3 GLU 103 1HB GLU 103 -2.803 22.184 36.951 815 HG2 GLU 103 2HG GLU 103 -4.281 20.497 38.568 816 HG3 GLU 103 1HG GLU 103 -3.431 19.408 37.473 817 H ASN 104 H ASN 104 -6.595 23.985 36.510 818 HA ASN 104 HA ASN 104 -6.865 26.086 37.337 819 HB2 ASN 104 2HB ASN 104 -5.556 24.616 39.557 820 HB3 ASN 104 1HB ASN 104 -5.537 26.375 39.664 821 HD21 ASN 104 1HD2 ASN 104 -7.023 26.857 41.127 822 HD22 ASN 104 2HD2 ASN 104 -8.664 26.318 41.109 823 H ASN 105 H ASN 105 -5.744 28.137 37.762 824 HA ASN 105 HA ASN 105 -2.902 28.286 37.443 825 HB2 ASN 105 2HB ASN 105 -3.665 27.833 35.105 826 HB3 ASN 105 1HB ASN 105 -4.602 29.322 35.167 827 HD21 ASN 105 1HD2 ASN 105 -3.489 31.315 35.330 828 HD22 ASN 105 2HD2 ASN 105 -1.850 31.458 34.800 829 H GLU 106 H GLU 106 -2.995 29.543 39.298 830 HA GLU 106 HA GLU 106 -4.644 31.912 39.386 831 HB2 GLU 106 2HB GLU 106 -2.807 30.506 41.254 832 HB3 GLU 106 1HB GLU 106 -3.057 32.227 41.517 833 HG2 GLU 106 2HG GLU 106 -5.405 31.916 41.791 834 HG3 GLU 106 1HG GLU 106 -5.292 30.228 41.295 Start of MODEL 10 1 H1 GLY 1 1HT GLY 1 -31.232 -15.481 19.346 2 H2 GLY 1 2HT GLY 1 -30.968 -16.998 18.645 3 H3 GLY 1 3HT GLY 1 -31.210 -15.643 17.662 4 HA2 GLY 1 1HA GLY 1 -28.805 -16.629 18.267 5 HA3 GLY 1 2HA GLY 1 -29.101 -14.958 17.809 6 HA PRO 2 HA PRO 2 -27.507 -15.494 22.326 7 HB2 PRO 2 2HB PRO 2 -24.829 -15.205 21.956 8 HB3 PRO 2 1HB PRO 2 -25.633 -16.778 21.993 9 HG2 PRO 2 2HG PRO 2 -24.773 -15.144 19.636 10 HG3 PRO 2 1HG PRO 2 -24.612 -16.890 19.906 11 HD2 PRO 2 2HD PRO 2 -26.560 -15.841 18.354 12 HD3 PRO 2 1HD PRO 2 -26.803 -17.311 19.317 13 H GLY 3 H GLY 3 -26.699 -13.451 19.605 14 HA2 GLY 3 2HA GLY 3 -27.363 -11.068 19.999 15 HA3 GLY 3 1HA GLY 3 -26.395 -11.170 21.462 16 H SER 4 H SER 4 -26.411 -10.170 18.303 17 HA SER 4 HA SER 4 -23.552 -9.682 18.369 18 HB2 SER 4 2HB SER 4 -23.500 -10.507 15.871 19 HB3 SER 4 1HB SER 4 -23.298 -11.662 17.188 20 HG SER 4 HG SER 4 -25.542 -12.126 16.998 21 H LEU 5 H LEU 5 -23.013 -8.574 16.062 22 HA LEU 5 HA LEU 5 -25.119 -6.558 15.631 23 HB2 LEU 5 2HB LEU 5 -22.672 -6.091 16.734 24 HB3 LEU 5 1HB LEU 5 -22.343 -5.778 15.041 25 HG LEU 5 HG LEU 5 -24.530 -4.297 15.242 26 HD11 LEU 5 1HD1 LEU 5 -24.943 -4.982 17.583 27 HD12 LEU 5 2HD1 LEU 5 -24.746 -3.240 17.394 28 HD13 LEU 5 3HD1 LEU 5 -23.425 -4.211 18.044 29 HD21 LEU 5 3HD2 LEU 5 -21.739 -3.588 16.106 30 HD22 LEU 5 1HD2 LEU 5 -23.013 -2.384 15.911 31 HD23 LEU 5 2HD2 LEU 5 -22.491 -3.348 14.529 32 H SER 6 H SER 6 -24.449 -5.257 13.493 33 HA SER 6 HA SER 6 -24.396 -5.289 11.221 34 HB2 SER 6 2HB SER 6 -22.372 -7.349 11.967 35 HB3 SER 6 1HB SER 6 -22.878 -7.264 10.280 36 HG SER 6 HG SER 6 -22.027 -4.995 11.741 37 H ASN 7 H ASN 7 -26.560 -6.571 12.493 38 HA ASN 7 HA ASN 7 -27.381 -8.354 10.340 39 HB2 ASN 7 2HB ASN 7 -26.761 -9.255 13.024 40 HB3 ASN 7 1HB ASN 7 -28.444 -9.582 12.621 41 HD21 ASN 7 1HD2 ASN 7 -26.244 -11.435 13.014 42 HD22 ASN 7 2HD2 ASN 7 -26.108 -12.342 11.550 43 H PHE 8 H PHE 8 -29.023 -7.166 9.579 44 HA PHE 8 HA PHE 8 -31.266 -6.641 11.374 45 HB2 PHE 8 2HB PHE 8 -29.795 -4.549 9.790 46 HB3 PHE 8 1HB PHE 8 -31.493 -4.344 10.210 47 HD1 PHE 8 2HD PHE 8 -32.148 -4.336 12.634 48 HD2 PHE 8 1HD PHE 8 -28.098 -4.116 11.347 49 HE1 PHE 8 2HE PHE 8 -31.498 -3.460 14.840 50 HE2 PHE 8 1HE PHE 8 -27.440 -3.242 13.550 51 HZ PHE 8 HZ PHE 8 -29.142 -2.911 15.301 52 H ALA 9 H ALA 9 -33.273 -6.586 10.359 53 HA ALA 9 HA ALA 9 -33.547 -8.139 8.033 54 HB1 ALA 9 1HB ALA 9 -35.365 -6.614 9.794 55 HB2 ALA 9 2HB ALA 9 -35.455 -8.286 9.243 56 HB3 ALA 9 3HB ALA 9 -35.957 -6.977 8.173 57 H ASN 10 H ASN 10 -33.254 -4.700 8.510 58 HA ASN 10 HA ASN 10 -34.327 -3.757 6.114 59 HB2 ASN 10 2HB ASN 10 -32.500 -2.740 8.175 60 HB3 ASN 10 1HB ASN 10 -32.242 -2.034 6.582 61 HD21 ASN 10 1HD2 ASN 10 -34.643 -1.782 5.514 62 HD22 ASN 10 2HD2 ASN 10 -35.668 -0.778 6.478 63 H VAL 11 H VAL 11 -33.113 -2.854 4.257 64 HA VAL 11 HA VAL 11 -30.643 -4.292 3.620 65 HB VAL 11 HB VAL 11 -31.555 -4.749 1.306 66 HG11 VAL 11 1HG1 VAL 11 -31.510 -6.294 3.512 67 HG12 VAL 11 2HG1 VAL 11 -32.033 -6.864 1.927 68 HG13 VAL 11 3HG1 VAL 11 -33.229 -6.358 3.121 69 HG21 VAL 11 3HG2 VAL 11 -33.464 -3.451 1.084 70 HG22 VAL 11 1HG2 VAL 11 -34.062 -3.876 2.687 71 HG23 VAL 11 2HG2 VAL 11 -34.126 -5.058 1.379 72 H GLY 12 H GLY 12 -29.529 -2.339 3.744 73 HA2 GLY 12 2HA GLY 12 -28.839 -0.919 1.633 74 HA3 GLY 12 1HA GLY 12 -30.376 -0.152 1.998 75 H VAL 13 H VAL 13 -27.882 -1.360 4.213 76 HA VAL 13 HA VAL 13 -26.685 1.095 4.806 77 HB VAL 13 HB VAL 13 -28.895 1.738 5.659 78 HG11 VAL 13 1HG1 VAL 13 -30.160 0.498 7.049 79 HG12 VAL 13 2HG1 VAL 13 -28.773 -0.076 7.972 80 HG13 VAL 13 3HG1 VAL 13 -29.183 -0.834 6.433 81 HG21 VAL 13 3HG2 VAL 13 -26.731 1.360 7.719 82 HG22 VAL 13 1HG2 VAL 13 -28.176 2.331 7.992 83 HG23 VAL 13 2HG2 VAL 13 -27.040 2.779 6.720 84 H GLY 14 H GLY 14 -24.975 0.847 6.202 85 HA2 GLY 14 2HA GLY 14 -24.627 -0.902 8.274 86 HA3 GLY 14 1HA GLY 14 -24.238 -1.852 6.846 87 H THR 15 H THR 15 -22.109 -2.018 6.656 88 HA THR 15 HA THR 15 -20.503 0.428 6.765 89 HB THR 15 HB THR 15 -19.332 -2.029 7.983 90 HG1 THR 15 1HG THR 15 -21.321 -1.831 9.048 91 HG21 THR 15 3HG2 THR 15 -19.087 0.894 8.653 92 HG22 THR 15 1HG2 THR 15 -17.926 -0.068 7.737 93 HG23 THR 15 2HG2 THR 15 -18.219 -0.425 9.440 94 H SER 16 H SER 16 -19.149 0.585 5.097 95 HA SER 16 HA SER 16 -17.956 0.079 3.231 96 HB2 SER 16 2HB SER 16 -17.066 -1.672 5.095 97 HB3 SER 16 1HB SER 16 -17.667 -2.797 3.876 98 HG SER 16 HG SER 16 -15.373 -1.622 3.849 99 H SER 17 H SER 17 -18.920 0.006 1.324 100 HA SER 17 HA SER 17 -21.176 -1.760 0.880 101 HB2 SER 17 2HB SER 17 -21.014 -0.534 -1.458 102 HB3 SER 17 1HB SER 17 -21.655 0.305 -0.044 103 HG SER 17 HG SER 17 -20.074 1.659 -0.224 104 H GLY 18 H GLY 18 -20.752 -3.800 0.334 105 HA2 GLY 18 2HA GLY 18 -20.155 -5.421 -1.270 106 HA3 GLY 18 1HA GLY 18 -19.001 -4.287 -1.953 107 H LYS 19 H LYS 19 -18.347 -6.942 -1.491 108 HA LYS 19 HA LYS 19 -16.400 -6.679 0.705 109 HB2 LYS 19 2HB LYS 19 -18.183 -8.969 -0.019 110 HB3 LYS 19 1HB LYS 19 -16.613 -9.299 0.697 111 HG2 LYS 19 2HG LYS 19 -17.173 -8.303 2.709 112 HG3 LYS 19 1HG LYS 19 -18.485 -7.364 1.993 113 HD2 LYS 19 2HD LYS 19 -19.337 -9.884 1.490 114 HD3 LYS 19 1HD LYS 19 -18.461 -10.133 3.003 115 HE2 LYS 19 2HE LYS 19 -19.778 -8.408 4.081 116 HE3 LYS 19 1HE LYS 19 -20.605 -8.055 2.565 117 HZ1 LYS 19 3HZ LYS 19 -20.701 -10.714 3.872 118 HZ2 LYS 19 1HZ LYS 19 -21.671 -10.145 2.607 119 HZ3 LYS 19 2HZ LYS 19 -21.847 -9.505 4.163 120 H GLN 20 H GLN 20 -14.691 -6.064 -0.580 121 HA GLN 20 HA GLN 20 -13.871 -7.969 -2.671 122 HB2 GLN 20 2HB GLN 20 -14.291 -5.319 -2.998 123 HB3 GLN 20 1HB GLN 20 -12.587 -5.304 -2.561 124 HG2 GLN 20 2HG GLN 20 -11.941 -6.351 -4.471 125 HG3 GLN 20 1HG GLN 20 -13.458 -7.234 -4.634 126 HE21 GLN 20 1HE2 GLN 20 -12.778 -3.775 -4.299 127 HE22 GLN 20 2HE2 GLN 20 -13.553 -3.302 -5.768 128 H LYS 21 H LYS 21 -11.376 -7.856 -3.004 129 HA LYS 21 HA LYS 21 -10.083 -7.965 -0.357 130 HB2 LYS 21 2HB LYS 21 -9.897 -9.860 -2.685 131 HB3 LYS 21 1HB LYS 21 -8.608 -9.759 -1.493 132 HG2 LYS 21 2HG LYS 21 -10.121 -10.397 0.269 133 HG3 LYS 21 1HG LYS 21 -11.484 -10.368 -0.851 134 HD2 LYS 21 2HD LYS 21 -10.159 -12.114 -2.191 135 HD3 LYS 21 1HD LYS 21 -9.189 -12.299 -0.730 136 HE2 LYS 21 2HE LYS 21 -11.894 -12.363 0.068 137 HE3 LYS 21 1HE LYS 21 -11.756 -13.404 -1.348 138 HZ1 LYS 21 3HZ LYS 21 -10.079 -13.588 1.097 139 HZ2 LYS 21 1HZ LYS 21 -9.958 -14.592 -0.259 140 HZ3 LYS 21 2HZ LYS 21 -11.353 -14.626 0.696 141 H ARG 22 H ARG 22 -8.161 -6.966 -0.133 142 HA ARG 22 HA ARG 22 -6.578 -6.226 -2.443 143 HB2 ARG 22 2HB ARG 22 -8.331 -4.418 -2.134 144 HB3 ARG 22 1HB ARG 22 -7.555 -4.047 -0.599 145 HG2 ARG 22 2HG ARG 22 -6.477 -2.542 -1.897 146 HG3 ARG 22 1HG ARG 22 -5.409 -3.922 -2.159 147 HD2 ARG 22 2HD ARG 22 -5.870 -3.931 -4.333 148 HD3 ARG 22 1HD ARG 22 -7.602 -4.015 -4.009 149 HE ARG 22 HE ARG 22 -6.077 -1.682 -4.719 150 HH11 ARG 22 1HH1 ARG 22 -8.981 -2.843 -3.171 151 HH12 ARG 22 2HH1 ARG 22 -9.846 -1.362 -3.405 152 HH21 ARG 22 1HH2 ARG 22 -7.213 0.266 -5.028 153 HH22 ARG 22 2HH2 ARG 22 -8.845 0.403 -4.459 154 H TYR 23 H TYR 23 -4.790 -7.237 -1.688 155 HA TYR 23 HA TYR 23 -2.941 -7.660 -0.433 156 HB2 TYR 23 2HB TYR 23 -3.514 -4.937 0.755 157 HB3 TYR 23 1HB TYR 23 -1.979 -5.798 0.819 158 HD1 TYR 23 1HD TYR 23 -1.137 -6.562 -1.637 159 HD2 TYR 23 2HD TYR 23 -3.669 -3.248 -0.797 160 HE1 TYR 23 1HE TYR 23 -0.456 -5.512 -3.753 161 HE2 TYR 23 2HE TYR 23 -2.995 -2.189 -2.912 162 HH TYR 23 HH TYR 23 -1.352 -3.843 -5.354 163 H LYS 24 H LYS 24 -5.711 -8.246 0.613 164 HA LYS 24 HA LYS 24 -6.728 -9.049 2.481 165 HB2 LYS 24 2HB LYS 24 -3.875 -9.662 3.279 166 HB3 LYS 24 1HB LYS 24 -5.316 -10.405 3.962 167 HG2 LYS 24 2HG LYS 24 -4.833 -12.020 2.474 168 HG3 LYS 24 1HG LYS 24 -5.718 -10.963 1.373 169 HD2 LYS 24 2HD LYS 24 -3.722 -11.536 0.250 170 HD3 LYS 24 1HD LYS 24 -3.489 -9.887 0.833 171 HE2 LYS 24 2HE LYS 24 -1.485 -10.977 1.353 172 HE3 LYS 24 1HE LYS 24 -2.381 -10.952 2.872 173 HZ1 LYS 24 3HZ LYS 24 -2.829 -13.197 2.744 174 HZ2 LYS 24 1HZ LYS 24 -1.260 -13.124 2.114 175 HZ3 LYS 24 2HZ LYS 24 -2.584 -13.275 1.074 176 H PHE 25 H PHE 25 -6.351 -9.139 5.084 177 HA PHE 25 HA PHE 25 -6.487 -7.909 6.997 178 HB2 PHE 25 2HB PHE 25 -4.148 -6.937 5.628 179 HB3 PHE 25 1HB PHE 25 -4.943 -5.606 6.459 180 HD1 PHE 25 1HD PHE 25 -6.024 -6.967 8.835 181 HD2 PHE 25 2HD PHE 25 -2.258 -7.376 6.893 182 HE1 PHE 25 1HE PHE 25 -5.012 -7.691 10.956 183 HE2 PHE 25 2HE PHE 25 -1.241 -8.102 9.012 184 HZ PHE 25 HZ PHE 25 -2.617 -8.260 11.048 185 H SER 26 H SER 26 -8.477 -6.983 7.274 186 HA SER 26 HA SER 26 -9.797 -5.411 5.405 187 HB2 SER 26 2HB SER 26 -10.576 -6.588 7.675 188 HB3 SER 26 1HB SER 26 -10.396 -4.944 8.287 189 HG SER 26 HG SER 26 -12.483 -5.205 7.525 190 H ALA 27 H ALA 27 -7.801 -4.082 4.891 191 HA ALA 27 HA ALA 27 -6.656 -2.103 4.926 192 HB1 ALA 27 1HB ALA 27 -9.437 -1.427 5.677 193 HB2 ALA 27 2HB ALA 27 -8.455 -0.862 4.325 194 HB3 ALA 27 3HB ALA 27 -8.217 -0.178 5.934 195 H SER 28 H SER 28 -6.512 -3.876 7.310 196 HA SER 28 HA SER 28 -6.435 -2.334 9.670 197 HB2 SER 28 2HB SER 28 -6.448 -4.892 9.422 198 HB3 SER 28 1HB SER 28 -4.708 -4.754 9.179 199 HG SER 28 HG SER 28 -4.533 -3.825 11.220 200 H GLU 29 H GLU 29 -4.093 -2.872 7.124 201 HA GLU 29 HA GLU 29 -1.758 -2.079 8.413 202 HB2 GLU 29 2HB GLU 29 -2.399 -1.382 5.553 203 HB3 GLU 29 1HB GLU 29 -0.825 -1.719 6.259 204 HG2 GLU 29 2HG GLU 29 -1.017 -3.849 5.713 205 HG3 GLU 29 1HG GLU 29 -2.483 -3.981 6.684 206 H ASP 30 H ASP 30 -4.022 -0.061 6.532 207 HA ASP 30 HA ASP 30 -2.732 2.385 7.015 208 HB2 ASP 30 2HB ASP 30 -5.477 1.585 6.148 209 HB3 ASP 30 1HB ASP 30 -5.203 3.257 6.630 210 H GLU 31 H GLU 31 -5.201 0.636 8.798 211 HA GLU 31 HA GLU 31 -5.751 2.685 10.680 212 HB2 GLU 31 2HB GLU 31 -6.158 -0.308 10.817 213 HB3 GLU 31 1HB GLU 31 -6.758 0.822 12.023 214 HG2 GLU 31 2HG GLU 31 -7.719 1.892 9.701 215 HG3 GLU 31 1HG GLU 31 -7.804 0.160 9.384 216 H ALA 32 H ALA 32 -3.311 0.213 10.440 217 HA ALA 32 HA ALA 32 -2.494 0.328 13.164 218 HB1 ALA 32 1HB ALA 32 -1.733 -1.625 12.310 219 HB2 ALA 32 2HB ALA 32 -0.308 -0.648 11.954 220 HB3 ALA 32 3HB ALA 32 -1.505 -0.953 10.695 221 H ILE 33 H ILE 33 -1.527 2.014 10.228 222 HA ILE 33 HA ILE 33 0.749 3.265 11.407 223 HB ILE 33 HB ILE 33 -0.751 4.498 9.122 224 HG12 ILE 33 2HG1 ILE 33 1.053 2.071 9.016 225 HG13 ILE 33 1HG1 ILE 33 -0.633 2.165 8.523 226 HG21 ILE 33 1HG2 ILE 33 2.186 4.283 9.771 227 HG22 ILE 33 2HG2 ILE 33 1.161 5.682 10.092 228 HG23 ILE 33 3HG2 ILE 33 1.476 5.183 8.431 229 HD11 ILE 33 3HD1 ILE 33 1.530 3.772 7.206 230 HD12 ILE 33 1HD1 ILE 33 -0.109 3.467 6.631 231 HD13 ILE 33 2HD1 ILE 33 1.068 2.155 6.674 232 H ILE 34 H ILE 34 -2.601 4.272 10.864 233 HA ILE 34 HA ILE 34 -2.273 6.876 11.902 234 HB ILE 34 HB ILE 34 -4.750 6.895 12.156 235 HG12 ILE 34 2HG1 ILE 34 -5.699 4.739 10.839 236 HG13 ILE 34 1HG1 ILE 34 -4.334 4.006 11.670 237 HG21 ILE 34 1HG2 ILE 34 -3.306 7.165 9.945 238 HG22 ILE 34 2HG2 ILE 34 -5.068 7.258 9.933 239 HG23 ILE 34 3HG2 ILE 34 -4.259 5.762 9.461 240 HD11 ILE 34 3HD1 ILE 34 -6.015 3.683 13.185 241 HD12 ILE 34 1HD1 ILE 34 -6.813 5.205 12.788 242 HD13 ILE 34 2HD1 ILE 34 -5.339 5.207 13.756 243 H LYS 35 H LYS 35 -3.252 3.814 13.381 244 HA LYS 35 HA LYS 35 -3.738 4.989 15.951 245 HB2 LYS 35 2HB LYS 35 -3.964 2.717 16.759 246 HB3 LYS 35 1HB LYS 35 -4.812 2.876 15.227 247 HG2 LYS 35 2HG LYS 35 -3.747 0.882 14.920 248 HG3 LYS 35 1HG LYS 35 -2.558 1.993 14.237 249 HD2 LYS 35 2HD LYS 35 -1.069 1.098 15.634 250 HD3 LYS 35 1HD LYS 35 -1.940 1.893 16.946 251 HE2 LYS 35 2HE LYS 35 -3.389 -0.105 17.137 252 HE3 LYS 35 1HE LYS 35 -2.412 -0.897 15.900 253 HZ1 LYS 35 3HZ LYS 35 -1.097 -1.584 17.526 254 HZ2 LYS 35 1HZ LYS 35 -1.915 -0.654 18.678 255 HZ3 LYS 35 2HZ LYS 35 -0.633 0.019 17.802 256 H GLY 36 H GLY 36 -1.004 3.633 14.279 257 HA2 GLY 36 2HA GLY 36 0.677 3.221 16.525 258 HA3 GLY 36 1HA GLY 36 1.204 3.393 14.856 259 H LEU 37 H LEU 37 0.285 5.945 14.292 260 HA LEU 37 HA LEU 37 2.338 7.528 15.451 261 HB2 LEU 37 2HB LEU 37 0.106 7.996 13.532 262 HB3 LEU 37 1HB LEU 37 0.869 9.393 14.270 263 HG LEU 37 HG LEU 37 3.075 8.139 13.441 264 HD11 LEU 37 1HD1 LEU 37 0.909 7.228 11.558 265 HD12 LEU 37 2HD1 LEU 37 1.997 6.216 12.506 266 HD13 LEU 37 3HD1 LEU 37 2.632 7.195 11.185 267 HD21 LEU 37 3HD2 LEU 37 1.329 10.206 12.368 268 HD22 LEU 37 1HD2 LEU 37 2.314 9.429 11.129 269 HD23 LEU 37 2HD2 LEU 37 3.085 10.176 12.528 270 H ALA 38 H ALA 38 -1.171 7.376 15.886 271 HA ALA 38 HA ALA 38 -1.396 9.581 17.624 272 HB1 ALA 38 1HB ALA 38 -3.284 7.355 18.027 273 HB2 ALA 38 2HB ALA 38 -3.175 7.987 16.384 274 HB3 ALA 38 3HB ALA 38 -3.588 9.064 17.717 275 H ARG 39 H ARG 39 -0.207 6.390 18.127 276 HA ARG 39 HA ARG 39 -0.396 6.702 21.038 277 HB2 ARG 39 2HB ARG 39 -1.271 4.602 20.024 278 HB3 ARG 39 1HB ARG 39 0.353 4.240 19.461 279 HG2 ARG 39 2HG ARG 39 0.145 2.990 21.405 280 HG3 ARG 39 1HG ARG 39 1.040 4.420 21.924 281 HD2 ARG 39 2HD ARG 39 -0.618 5.112 23.268 282 HD3 ARG 39 1HD ARG 39 -1.867 4.706 22.092 283 HE ARG 39 HE ARG 39 -0.695 2.414 23.366 284 HH11 ARG 39 1HH1 ARG 39 -3.156 4.876 23.617 285 HH12 ARG 39 2HH1 ARG 39 -4.165 3.937 24.664 286 HH21 ARG 39 1HH2 ARG 39 -2.022 1.177 24.743 287 HH22 ARG 39 2HH2 ARG 39 -3.522 1.837 25.303 288 H PHE 40 H PHE 40 1.827 6.723 18.409 289 HA PHE 40 HA PHE 40 4.078 6.732 20.312 290 HB2 PHE 40 2HB PHE 40 3.947 5.892 17.419 291 HB3 PHE 40 1HB PHE 40 5.469 6.181 18.256 292 HD1 PHE 40 1HD PHE 40 4.921 5.033 20.901 293 HD2 PHE 40 2HD PHE 40 3.900 3.616 17.020 294 HE1 PHE 40 1HE PHE 40 4.883 2.728 21.757 295 HE2 PHE 40 2HE PHE 40 3.859 1.307 17.870 296 HZ PHE 40 HZ PHE 40 4.351 0.861 20.241 297 H THR 41 H THR 41 5.153 8.575 20.557 298 HA THR 41 HA THR 41 5.673 10.397 18.440 299 HB THR 41 HB THR 41 4.416 12.293 19.826 300 HG1 THR 41 1HG THR 41 2.522 11.560 20.695 301 HG21 THR 41 3HG2 THR 41 3.236 12.516 17.973 302 HG22 THR 41 1HG2 THR 41 2.362 11.015 18.286 303 HG23 THR 41 2HG2 THR 41 3.902 10.977 17.425 304 H LYS 42 H LYS 42 7.764 9.930 19.310 305 HA LYS 42 HA LYS 42 8.415 11.642 21.601 306 HB2 LYS 42 2HB LYS 42 8.910 8.725 21.326 307 HB3 LYS 42 1HB LYS 42 10.203 9.691 22.023 308 HG2 LYS 42 2HG LYS 42 9.079 10.065 23.935 309 HG3 LYS 42 1HG LYS 42 7.517 10.180 23.120 310 HD2 LYS 42 2HD LYS 42 8.973 7.569 23.452 311 HD3 LYS 42 1HD LYS 42 7.862 8.194 24.675 312 HE2 LYS 42 2HE LYS 42 6.018 8.030 23.256 313 HE3 LYS 42 1HE LYS 42 7.022 7.941 21.810 314 HZ1 LYS 42 3HZ LYS 42 7.740 5.744 22.466 315 HZ2 LYS 42 1HZ LYS 42 6.050 5.794 22.387 316 HZ3 LYS 42 2HZ LYS 42 6.826 5.829 23.888 317 H GLY 43 H GLY 43 8.682 12.049 18.748 318 HA2 GLY 43 2HA GLY 43 10.282 13.192 17.504 319 HA3 GLY 43 1HA GLY 43 11.481 12.780 18.720 320 H GLN 44 H GLN 44 12.742 12.477 16.662 321 HA GLN 44 HA GLN 44 13.822 11.105 15.205 322 HB2 GLN 44 2HB GLN 44 12.651 9.162 17.160 323 HB3 GLN 44 1HB GLN 44 13.467 8.560 15.722 324 HG2 GLN 44 2HG GLN 44 15.411 8.786 16.741 325 HG3 GLN 44 1HG GLN 44 15.140 10.524 16.865 326 HE21 GLN 44 1HE2 GLN 44 15.655 11.116 18.847 327 HE22 GLN 44 2HE2 GLN 44 15.157 10.333 20.303 328 H GLN 45 H GLN 45 11.114 12.032 14.596 329 HA GLN 45 HA GLN 45 9.521 11.785 12.993 330 HB2 GLN 45 2HB GLN 45 11.910 10.891 11.882 331 HB3 GLN 45 1HB GLN 45 10.761 9.617 11.497 332 HG2 GLN 45 2HG GLN 45 10.189 10.857 9.751 333 HG3 GLN 45 1HG GLN 45 9.364 11.907 10.903 334 HE21 GLN 45 1HE2 GLN 45 11.604 13.012 12.153 335 HE22 GLN 45 2HE2 GLN 45 12.414 14.037 11.022 336 H ARG 46 H ARG 46 7.867 10.928 14.201 337 HA ARG 46 HA ARG 46 7.659 8.305 15.119 338 HB2 ARG 46 2HB ARG 46 5.201 8.763 15.234 339 HB3 ARG 46 1HB ARG 46 6.204 9.982 16.006 340 HG2 ARG 46 2HG ARG 46 5.970 11.407 14.017 341 HG3 ARG 46 1HG ARG 46 4.916 10.192 13.292 342 HD2 ARG 46 2HD ARG 46 3.479 10.435 15.382 343 HD3 ARG 46 1HD ARG 46 4.424 11.882 15.728 344 HE ARG 46 HE ARG 46 2.378 11.582 13.735 345 HH11 ARG 46 1HH1 ARG 46 5.230 13.374 14.650 346 HH12 ARG 46 2HH1 ARG 46 4.805 14.770 13.720 347 HH21 ARG 46 1HH2 ARG 46 1.816 13.419 12.511 348 HH22 ARG 46 2HH2 ARG 46 2.866 14.796 12.505 349 H PHE 47 H PHE 47 7.116 9.629 11.958 350 HA PHE 47 HA PHE 47 5.449 7.631 10.893 351 HB2 PHE 47 2HB PHE 47 7.440 9.506 9.624 352 HB3 PHE 47 1HB PHE 47 6.477 8.379 8.674 353 HD1 PHE 47 2HD PHE 47 3.991 8.579 8.697 354 HD2 PHE 47 1HD PHE 47 6.533 11.526 10.416 355 HE1 PHE 47 2HE PHE 47 2.140 10.200 8.647 356 HE2 PHE 47 1HE PHE 47 4.686 13.151 10.371 357 HZ PHE 47 HZ PHE 47 2.486 12.489 9.484 358 H GLN 48 H GLN 48 8.992 7.960 10.850 359 HA GLN 48 HA GLN 48 9.413 5.486 9.509 360 HB2 GLN 48 2HB GLN 48 11.022 7.662 10.496 361 HB3 GLN 48 1HB GLN 48 11.735 6.130 10.984 362 HG2 GLN 48 2HG GLN 48 12.057 5.436 8.795 363 HG3 GLN 48 1HG GLN 48 10.877 6.580 8.156 364 HE21 GLN 48 1HE2 GLN 48 14.124 6.145 9.304 365 HE22 GLN 48 2HE2 GLN 48 14.744 7.655 8.739 366 H GLN 49 H GLN 49 9.700 6.489 12.911 367 HA GLN 49 HA GLN 49 10.522 4.028 13.953 368 HB2 GLN 49 2HB GLN 49 10.381 6.355 15.079 369 HB3 GLN 49 1HB GLN 49 8.726 5.904 15.466 370 HG2 GLN 49 2HG GLN 49 9.606 3.879 16.602 371 HG3 GLN 49 1HG GLN 49 11.237 4.483 16.317 372 HE21 GLN 49 1HE2 GLN 49 8.202 5.976 17.394 373 HE22 GLN 49 2HE2 GLN 49 8.855 6.674 18.832 374 H ILE 50 H ILE 50 7.240 5.389 13.689 375 HA ILE 50 HA ILE 50 5.885 3.204 14.784 376 HB ILE 50 HB ILE 50 4.926 5.497 14.274 377 HG12 ILE 50 2HG1 ILE 50 3.597 3.527 15.038 378 HG13 ILE 50 1HG1 ILE 50 2.677 4.665 14.062 379 HG21 ILE 50 1HG2 ILE 50 4.254 4.368 11.580 380 HG22 ILE 50 2HG2 ILE 50 5.684 5.362 11.846 381 HG23 ILE 50 3HG2 ILE 50 4.084 6.025 12.163 382 HD11 ILE 50 3HD1 ILE 50 3.348 1.867 13.564 383 HD12 ILE 50 1HD1 ILE 50 3.567 2.927 12.172 384 HD13 ILE 50 2HD1 ILE 50 1.999 2.839 12.973 385 H TYR 51 H TYR 51 6.988 3.846 11.500 386 HA TYR 51 HA TYR 51 5.669 1.703 10.243 387 HB2 TYR 51 2HB TYR 51 6.731 3.528 8.975 388 HB3 TYR 51 1HB TYR 51 8.317 2.959 9.492 389 HD1 TYR 51 2HD TYR 51 5.249 1.741 7.747 390 HD2 TYR 51 1HD TYR 51 9.479 1.494 8.117 391 HE1 TYR 51 2HE TYR 51 5.320 0.203 5.831 392 HE2 TYR 51 1HE TYR 51 9.559 -0.050 6.203 393 HH TYR 51 HH TYR 51 7.858 -1.718 5.111 394 H TYR 52 H TYR 52 8.719 1.926 11.973 395 HA TYR 52 HA TYR 52 9.743 -0.601 11.298 396 HB2 TYR 52 2HB TYR 52 10.224 1.352 13.501 397 HB3 TYR 52 1HB TYR 52 10.843 -0.283 13.698 398 HD1 TYR 52 1HD TYR 52 12.323 -1.204 11.791 399 HD2 TYR 52 2HD TYR 52 11.452 2.928 12.302 400 HE1 TYR 52 1HE TYR 52 14.291 -0.628 10.433 401 HE2 TYR 52 2HE TYR 52 13.416 3.516 10.946 402 HH TYR 52 HH TYR 52 15.870 1.529 10.305 403 H ALA 53 H ALA 53 7.765 0.459 14.031 404 HA ALA 53 HA ALA 53 7.544 -2.149 15.174 405 HB1 ALA 53 1HB ALA 53 5.409 -0.862 16.199 406 HB2 ALA 53 2HB ALA 53 6.379 0.516 15.678 407 HB3 ALA 53 3HB ALA 53 7.053 -0.661 16.806 408 H TYR 54 H TYR 54 5.757 -0.302 12.820 409 HA TYR 54 HA TYR 54 3.505 -2.079 12.730 410 HB2 TYR 54 2HB TYR 54 2.826 0.007 12.082 411 HB3 TYR 54 1HB TYR 54 4.367 0.398 11.336 412 HD1 TYR 54 2HD TYR 54 1.265 -1.595 10.829 413 HD2 TYR 54 1HD TYR 54 4.615 0.297 9.015 414 HE1 TYR 54 2HE TYR 54 0.286 -2.001 8.610 415 HE2 TYR 54 1HE TYR 54 3.643 -0.100 6.792 416 HH TYR 54 HH TYR 54 1.221 -0.459 5.879 417 H ARG 55 H ARG 55 6.652 -2.304 11.553 418 HA ARG 55 HA ARG 55 6.400 -3.346 9.000 419 HB2 ARG 55 2HB ARG 55 8.361 -3.716 11.210 420 HB3 ARG 55 1HB ARG 55 8.438 -4.830 9.853 421 HG2 ARG 55 2HG ARG 55 8.318 -2.503 8.521 422 HG3 ARG 55 1HG ARG 55 9.124 -1.971 9.998 423 HD2 ARG 55 2HD ARG 55 10.088 -4.457 8.684 424 HD3 ARG 55 1HD ARG 55 10.483 -2.912 7.932 425 HE ARG 55 HE ARG 55 11.215 -2.493 10.474 426 HH11 ARG 55 1HH1 ARG 55 11.875 -5.136 8.289 427 HH12 ARG 55 2HH1 ARG 55 13.407 -5.508 9.004 428 HH21 ARG 55 1HH2 ARG 55 13.230 -2.981 11.413 429 HH22 ARG 55 2HH2 ARG 55 14.176 -4.285 10.776 430 H SER 56 H SER 56 5.864 -4.913 12.101 431 HA SER 56 HA SER 56 5.767 -7.571 11.304 432 HB2 SER 56 2HB SER 56 5.609 -6.583 13.670 433 HB3 SER 56 1HB SER 56 3.881 -6.423 13.357 434 HG SER 56 HG SER 56 3.689 -8.467 13.750 435 H VAL 57 H VAL 57 3.545 -5.007 10.660 436 HA VAL 57 HA VAL 57 1.335 -6.754 10.015 437 HB VAL 57 HB VAL 57 1.650 -3.802 9.462 438 HG11 VAL 57 1HG1 VAL 57 -0.312 -5.675 8.627 439 HG12 VAL 57 2HG1 VAL 57 -0.287 -3.929 8.385 440 HG13 VAL 57 3HG1 VAL 57 -1.050 -4.609 9.822 441 HG21 VAL 57 3HG2 VAL 57 0.569 -3.353 11.493 442 HG22 VAL 57 1HG2 VAL 57 1.784 -4.571 11.884 443 HG23 VAL 57 2HG2 VAL 57 0.092 -5.038 11.708 444 H TRP 58 H TRP 58 2.839 -4.215 8.015 445 HA TRP 58 HA TRP 58 2.638 -6.057 5.733 446 HB2 TRP 58 2HB TRP 58 1.447 -3.595 6.010 447 HB3 TRP 58 1HB TRP 58 2.899 -3.207 5.093 448 HD1 TRP 58 HD TRP 58 1.043 -6.524 4.586 449 HE1 TRP 58 1HE TRP 58 0.071 -6.558 2.202 450 HE3 TRP 58 3HE TRP 58 2.109 -1.718 3.204 451 HZ2 TRP 58 2HZ TRP 58 -0.208 -4.783 0.024 452 HZ3 TRP 58 3HZ TRP 58 1.458 -0.965 0.954 453 HH2 TRP 58 HH TRP 58 0.323 -2.468 -0.602 454 H HIS 59 H HIS 59 4.279 -5.918 4.089 455 HA HIS 59 HA HIS 59 6.613 -4.382 4.303 456 HB2 HIS 59 2HB HIS 59 6.768 -5.977 6.348 457 HB3 HIS 59 1HB HIS 59 7.159 -7.212 5.155 458 HD1 HIS 59 1HD HIS 59 8.922 -5.320 3.331 459 HD2 HIS 59 2HD HIS 59 9.294 -5.793 7.441 460 HE1 HIS 59 1HE HIS 59 11.288 -4.662 3.870 461 HE2 HIS 59 2HE HIS 59 11.453 -4.844 6.377 462 HA PRO 60 HA PRO 60 5.664 -6.986 0.448 463 HB2 PRO 60 2HB PRO 60 5.604 -4.766 -1.200 464 HB3 PRO 60 1HB PRO 60 4.182 -5.548 -0.504 465 HG2 PRO 60 2HG PRO 60 5.642 -3.111 0.407 466 HG3 PRO 60 1HG PRO 60 3.900 -3.436 0.390 467 HD2 PRO 60 2HD PRO 60 5.349 -3.573 2.651 468 HD3 PRO 60 1HD PRO 60 3.985 -4.668 2.346 469 H ALA 61 H ALA 61 7.328 -3.917 -0.213 470 HA ALA 61 HA ALA 61 9.806 -5.437 -0.671 471 HB1 ALA 61 1HB ALA 61 8.292 -3.760 -2.560 472 HB2 ALA 61 2HB ALA 61 9.383 -5.113 -2.861 473 HB3 ALA 61 3HB ALA 61 10.037 -3.506 -2.541 474 H ARG 62 H ARG 62 9.278 -1.999 -1.271 475 HA ARG 62 HA ARG 62 11.557 -1.176 0.114 476 HB2 ARG 62 2HB ARG 62 9.142 0.185 -0.969 477 HB3 ARG 62 1HB ARG 62 10.138 1.084 0.168 478 HG2 ARG 62 2HG ARG 62 12.080 0.772 -1.261 479 HG3 ARG 62 1HG ARG 62 11.108 -0.173 -2.390 480 HD2 ARG 62 2HD ARG 62 9.654 2.145 -2.107 481 HD3 ARG 62 1HD ARG 62 11.322 2.716 -2.062 482 HE ARG 62 HE ARG 62 11.216 1.001 -4.195 483 HH11 ARG 62 1HH1 ARG 62 9.515 3.899 -3.251 484 HH12 ARG 62 2HH1 ARG 62 9.226 4.409 -4.880 485 HH21 ARG 62 1HH2 ARG 62 10.835 1.672 -6.338 486 HH22 ARG 62 2HH2 ARG 62 9.974 3.145 -6.633 487 H THR 63 H THR 63 11.081 0.769 1.879 488 HA THR 63 HA THR 63 9.451 -0.483 3.974 489 HB THR 63 HB THR 63 11.298 0.606 5.529 490 HG1 THR 63 1HG THR 63 13.062 1.124 4.545 491 HG21 THR 63 3HG2 THR 63 11.467 -1.548 6.011 492 HG22 THR 63 1HG2 THR 63 12.691 -1.652 4.745 493 HG23 THR 63 2HG2 THR 63 11.007 -2.022 4.375 494 H VAL 64 H VAL 64 11.277 2.399 4.685 495 HA VAL 64 HA VAL 64 9.093 3.829 5.587 496 HB VAL 64 HB VAL 64 11.690 4.892 4.462 497 HG11 VAL 64 1HG1 VAL 64 10.215 6.726 4.343 498 HG12 VAL 64 2HG1 VAL 64 11.079 6.928 5.869 499 HG13 VAL 64 3HG1 VAL 64 9.431 6.297 5.864 500 HG21 VAL 64 3HG2 VAL 64 10.740 4.396 7.283 501 HG22 VAL 64 1HG2 VAL 64 12.273 5.148 6.840 502 HG23 VAL 64 2HG2 VAL 64 11.959 3.468 6.409 503 H SER 65 H SER 65 10.234 3.348 2.346 504 HA SER 65 HA SER 65 8.834 5.479 1.108 505 HB2 SER 65 2HB SER 65 10.713 3.928 0.150 506 HB3 SER 65 1HB SER 65 9.372 2.867 -0.277 507 HG SER 65 HG SER 65 9.563 5.598 -1.023 508 H GLN 66 H GLN 66 8.060 2.130 1.905 509 HA GLN 66 HA GLN 66 5.539 2.062 0.617 510 HB2 GLN 66 2HB GLN 66 7.065 0.377 2.443 511 HB3 GLN 66 1HB GLN 66 5.343 0.346 2.797 512 HG2 GLN 66 2HG GLN 66 6.090 -1.434 1.251 513 HG3 GLN 66 1HG GLN 66 4.828 -0.396 0.590 514 HE21 GLN 66 1HE2 GLN 66 6.772 -2.083 -0.783 515 HE22 GLN 66 2HE2 GLN 66 7.651 -1.039 -1.841 516 H LEU 67 H LEU 67 6.617 3.016 3.821 517 HA LEU 67 HA LEU 67 4.167 3.368 5.086 518 HB2 LEU 67 2HB LEU 67 6.473 3.539 6.105 519 HB3 LEU 67 1HB LEU 67 6.579 5.147 5.419 520 HG LEU 67 HG LEU 67 5.986 5.169 7.808 521 HD11 LEU 67 1HD1 LEU 67 4.473 6.894 7.644 522 HD12 LEU 67 2HD1 LEU 67 3.565 6.120 6.343 523 HD13 LEU 67 3HD1 LEU 67 5.140 6.844 6.012 524 HD21 LEU 67 3HD2 LEU 67 3.278 4.482 7.783 525 HD22 LEU 67 1HD2 LEU 67 4.594 3.634 8.592 526 HD23 LEU 67 2HD2 LEU 67 4.108 3.160 6.965 527 H TYR 68 H TYR 68 6.040 5.611 3.113 528 HA TYR 68 HA TYR 68 4.216 7.761 3.273 529 HB2 TYR 68 2HB TYR 68 6.423 7.043 1.355 530 HB3 TYR 68 1HB TYR 68 5.399 8.446 1.072 531 HD1 TYR 68 1HD TYR 68 6.332 7.401 4.472 532 HD2 TYR 68 2HD TYR 68 7.229 10.016 1.234 533 HE1 TYR 68 1HE TYR 68 7.761 8.740 5.957 534 HE2 TYR 68 2HE TYR 68 8.660 11.362 2.712 535 HH TYR 68 HH TYR 68 10.011 10.817 4.965 536 H ASP 69 H ASP 69 4.382 4.875 1.339 537 HA ASP 69 HA ASP 69 2.620 5.664 -0.718 538 HB2 ASP 69 2HB ASP 69 3.978 3.254 0.095 539 HB3 ASP 69 1HB ASP 69 2.317 2.888 -0.359 540 H HIS 70 H HIS 70 2.033 3.860 2.297 541 HA HIS 70 HA HIS 70 -0.809 3.839 1.828 542 HB2 HIS 70 2HB HIS 70 -0.145 3.394 4.609 543 HB3 HIS 70 1HB HIS 70 -0.906 2.307 3.458 544 HD1 HIS 70 1HD HIS 70 2.236 2.961 5.226 545 HD2 HIS 70 2HD HIS 70 0.957 0.635 2.033 546 HE1 HIS 70 1HE HIS 70 4.063 1.288 4.846 547 HE2 HIS 70 2HE HIS 70 3.313 -0.056 2.850 548 H TRP 71 H TRP 71 1.484 5.820 3.500 549 HA TRP 71 HA TRP 71 -0.416 7.317 5.010 550 HB2 TRP 71 2HB TRP 71 1.890 7.187 5.750 551 HB3 TRP 71 1HB TRP 71 2.453 7.890 4.238 552 HD1 TRP 71 HD TRP 71 3.356 10.213 4.834 553 HE1 TRP 71 1HE TRP 71 2.492 12.238 6.167 554 HE3 TRP 71 3HE TRP 71 -0.960 8.189 6.690 555 HZ2 TRP 71 2HZ TRP 71 0.278 12.893 7.789 556 HZ3 TRP 71 3HZ TRP 71 -2.393 9.583 8.123 557 HH2 TRP 71 HH TRP 71 -1.786 11.885 8.662 558 H ARG 72 H ARG 72 0.973 7.536 1.806 559 HA ARG 72 HA ARG 72 0.041 10.212 1.315 560 HB2 ARG 72 2HB ARG 72 2.004 9.331 0.141 561 HB3 ARG 72 1HB ARG 72 1.011 8.082 -0.599 562 HG2 ARG 72 2HG ARG 72 0.730 9.460 -2.311 563 HG3 ARG 72 1HG ARG 72 -0.274 10.452 -1.251 564 HD2 ARG 72 2HD ARG 72 1.206 12.071 -1.732 565 HD3 ARG 72 1HD ARG 72 2.218 11.263 -0.535 566 HE ARG 72 HE ARG 72 2.672 10.051 -3.007 567 HH11 ARG 72 1HH1 ARG 72 3.173 13.140 -1.463 568 HH12 ARG 72 2HH1 ARG 72 4.569 13.528 -2.410 569 HH21 ARG 72 1HH2 ARG 72 4.508 10.560 -4.255 570 HH22 ARG 72 2HH2 ARG 72 5.328 12.064 -3.996 571 H GLY 73 H GLY 73 -1.092 6.949 0.675 572 HA2 GLY 73 2HA GLY 73 -3.281 7.746 -0.986 573 HA3 GLY 73 1HA GLY 73 -3.051 6.164 -0.256 574 H THR 74 H THR 74 -2.820 7.336 2.450 575 HA THR 74 HA THR 74 -5.623 7.326 3.074 576 HB THR 74 HB THR 74 -3.256 7.837 4.887 577 HG1 THR 74 1HG THR 74 -4.647 5.413 4.434 578 HG21 THR 74 3HG2 THR 74 -5.120 6.574 6.395 579 HG22 THR 74 1HG2 THR 74 -6.128 7.613 5.387 580 HG23 THR 74 2HG2 THR 74 -4.848 8.317 6.375 581 H LEU 75 H LEU 75 -3.001 9.708 3.187 582 HA LEU 75 HA LEU 75 -4.436 11.812 4.345 583 HB2 LEU 75 2HB LEU 75 -1.887 11.511 3.673 584 HB3 LEU 75 1HB LEU 75 -2.402 12.400 2.253 585 HG LEU 75 HG LEU 75 -3.160 13.540 4.884 586 HD11 LEU 75 1HD1 LEU 75 -0.779 12.729 5.108 587 HD12 LEU 75 2HD1 LEU 75 -1.034 14.458 5.350 588 HD13 LEU 75 3HD1 LEU 75 -0.364 13.870 3.828 589 HD21 LEU 75 3HD2 LEU 75 -3.417 14.382 2.345 590 HD22 LEU 75 1HD2 LEU 75 -1.864 15.110 2.750 591 HD23 LEU 75 2HD2 LEU 75 -3.289 15.473 3.724 592 H ARG 76 H ARG 76 -3.910 11.032 0.915 593 HA ARG 76 HA ARG 76 -6.013 12.958 0.209 594 HB2 ARG 76 2HB ARG 76 -3.882 13.312 -0.924 595 HB3 ARG 76 1HB ARG 76 -3.893 11.654 -1.508 596 HG2 ARG 76 2HG ARG 76 -4.556 13.022 -3.314 597 HG3 ARG 76 1HG ARG 76 -6.011 12.206 -2.737 598 HD2 ARG 76 2HD ARG 76 -6.232 14.377 -1.262 599 HD3 ARG 76 1HD ARG 76 -5.225 15.070 -2.531 600 HE ARG 76 HE ARG 76 -7.513 13.631 -3.515 601 HH11 ARG 76 1HH1 ARG 76 -6.342 16.713 -2.368 602 HH12 ARG 76 2HH1 ARG 76 -7.567 17.624 -3.184 603 HH21 ARG 76 1HH2 ARG 76 -9.126 14.826 -4.587 604 HH22 ARG 76 2HH2 ARG 76 -9.150 16.552 -4.442 605 H TYR 77 H TYR 77 -7.908 11.881 0.411 606 HA TYR 77 HA TYR 77 -8.275 9.546 -1.326 607 HB2 TYR 77 2HB TYR 77 -8.280 9.449 1.488 608 HB3 TYR 77 1HB TYR 77 -9.968 9.338 1.001 609 HD1 TYR 77 1HD TYR 77 -9.573 7.874 -1.611 610 HD2 TYR 77 2HD TYR 77 -7.891 7.254 2.247 611 HE1 TYR 77 1HE TYR 77 -9.264 5.492 -2.135 612 HE2 TYR 77 2HE TYR 77 -7.576 4.871 1.733 613 HH TYR 77 HH TYR 77 -7.914 3.610 -1.427 614 H LYS 78 H LYS 78 -10.939 9.076 -0.868 615 HA LYS 78 HA LYS 78 -12.136 11.488 -2.018 616 HB2 LYS 78 2HB LYS 78 -13.961 9.988 -2.730 617 HB3 LYS 78 1HB LYS 78 -12.395 9.451 -3.320 618 HG2 LYS 78 2HG LYS 78 -12.293 7.772 -1.562 619 HG3 LYS 78 1HG LYS 78 -13.848 8.323 -0.936 620 HD2 LYS 78 2HD LYS 78 -14.467 7.875 -3.538 621 HD3 LYS 78 1HD LYS 78 -13.233 6.642 -3.271 622 HE2 LYS 78 2HE LYS 78 -15.100 6.767 -1.065 623 HE3 LYS 78 1HE LYS 78 -15.932 6.494 -2.596 624 HZ1 LYS 78 3HZ LYS 78 -14.108 4.764 -1.143 625 HZ2 LYS 78 1HZ LYS 78 -13.916 4.780 -2.824 626 HZ3 LYS 78 2HZ LYS 78 -15.410 4.368 -2.148 627 H VAL 79 H VAL 79 -14.444 11.926 -1.423 628 HA VAL 79 HA VAL 79 -14.814 11.552 1.479 629 HB VAL 79 HB VAL 79 -15.912 13.820 -0.182 630 HG11 VAL 79 1HG1 VAL 79 -17.234 13.907 1.650 631 HG12 VAL 79 2HG1 VAL 79 -15.837 14.729 2.344 632 HG13 VAL 79 3HG1 VAL 79 -16.091 13.011 2.651 633 HG21 VAL 79 3HG2 VAL 79 -13.401 13.665 1.474 634 HG22 VAL 79 1HG2 VAL 79 -14.148 15.184 0.978 635 HG23 VAL 79 2HG2 VAL 79 -13.545 14.058 -0.239 636 H ILE 80 H ILE 80 -16.761 12.303 -1.420 637 HA ILE 80 HA ILE 80 -18.641 10.198 -0.654 638 HB ILE 80 HB ILE 80 -20.569 11.721 -1.129 639 HG12 ILE 80 2HG1 ILE 80 -19.724 14.224 -0.552 640 HG13 ILE 80 1HG1 ILE 80 -18.325 13.630 -1.440 641 HG21 ILE 80 1HG2 ILE 80 -20.789 12.187 1.069 642 HG22 ILE 80 2HG2 ILE 80 -19.212 12.971 1.174 643 HG23 ILE 80 3HG2 ILE 80 -19.326 11.210 1.194 644 HD11 ILE 80 3HD1 ILE 80 -21.122 14.049 -2.380 645 HD12 ILE 80 1HD1 ILE 80 -20.072 12.892 -3.200 646 HD13 ILE 80 2HD1 ILE 80 -19.602 14.591 -3.094 647 H GLN 81 H GLN 81 -19.547 9.154 -2.354 648 HA GLN 81 HA GLN 81 -19.768 10.290 -4.959 649 HB2 GLN 81 2HB GLN 81 -17.270 9.116 -4.308 650 HB3 GLN 81 1HB GLN 81 -18.086 8.011 -5.406 651 HG2 GLN 81 2HG GLN 81 -18.096 10.880 -6.127 652 HG3 GLN 81 1HG GLN 81 -16.562 10.019 -6.245 653 HE21 GLN 81 1HE2 GLN 81 -19.931 9.954 -7.274 654 HE22 GLN 81 2HE2 GLN 81 -19.651 9.113 -8.758 655 H GLN 82 H GLN 82 -19.319 7.134 -3.359 656 HA GLN 82 HA GLN 82 -21.313 5.887 -5.016 657 HB2 GLN 82 2HB GLN 82 -19.626 4.980 -2.703 658 HB3 GLN 82 1HB GLN 82 -20.950 3.984 -3.288 659 HG2 GLN 82 2HG GLN 82 -19.432 3.106 -4.658 660 HG3 GLN 82 1HG GLN 82 -19.643 4.580 -5.601 661 HE21 GLN 82 1HE2 GLN 82 -17.312 2.860 -5.358 662 HE22 GLN 82 2HE2 GLN 82 -16.030 3.861 -4.774 663 H GLN 83 H GLN 83 -21.068 6.674 -1.549 664 HA GLN 83 HA GLN 83 -24.010 6.538 -1.409 665 HB2 GLN 83 2HB GLN 83 -21.951 5.380 0.267 666 HB3 GLN 83 1HB GLN 83 -23.013 6.419 1.208 667 HG2 GLN 83 2HG GLN 83 -24.082 4.405 1.375 668 HG3 GLN 83 1HG GLN 83 -24.911 5.120 -0.007 669 HE21 GLN 83 1HE2 GLN 83 -24.484 2.306 0.787 670 HE22 GLN 83 2HE2 GLN 83 -23.745 1.551 -0.581 671 H GLY 84 H GLY 84 -24.919 7.940 0.395 672 HA2 GLY 84 2HA GLY 84 -23.811 10.049 1.646 673 HA3 GLY 84 1HA GLY 84 -23.912 10.629 -0.009 674 H TYR 85 H TYR 85 -25.256 11.681 2.325 675 HA TYR 85 HA TYR 85 -28.060 11.033 1.749 676 HB2 TYR 85 2HB TYR 85 -26.667 11.489 4.166 677 HB3 TYR 85 1HB TYR 85 -27.752 12.859 3.951 678 HD1 TYR 85 1HD TYR 85 -30.204 12.458 3.724 679 HD2 TYR 85 2HD TYR 85 -27.497 9.340 4.745 680 HE1 TYR 85 1HE TYR 85 -32.085 11.100 4.540 681 HE2 TYR 85 2HE TYR 85 -29.369 7.974 5.563 682 HH TYR 85 HH TYR 85 -31.782 7.785 5.264 683 H ARG 86 H ARG 86 -28.657 12.249 0.037 684 HA ARG 86 HA ARG 86 -28.537 15.158 0.382 685 HB2 ARG 86 2HB ARG 86 -26.981 13.745 -1.486 686 HB3 ARG 86 1HB ARG 86 -28.287 14.470 -2.412 687 HG2 ARG 86 2HG ARG 86 -26.630 16.082 -2.473 688 HG3 ARG 86 1HG ARG 86 -27.679 16.638 -1.166 689 HD2 ARG 86 2HD ARG 86 -25.793 14.897 -0.004 690 HD3 ARG 86 1HD ARG 86 -24.896 15.954 -1.093 691 HE ARG 86 HE ARG 86 -26.735 17.389 0.560 692 HH11 ARG 86 1HH1 ARG 86 -23.561 15.943 0.468 693 HH12 ARG 86 2HH1 ARG 86 -22.917 16.976 1.700 694 HH21 ARG 86 1HH2 ARG 86 -25.890 18.750 2.178 695 HH22 ARG 86 2HH2 ARG 86 -24.240 18.569 2.671 696 H GLY 87 H GLY 87 -30.335 16.246 -0.278 697 HA2 GLY 87 2HA GLY 87 -32.203 15.519 -2.169 698 HA3 GLY 87 1HA GLY 87 -32.717 14.726 -0.688 699 H LYS 88 H LYS 88 -32.029 17.851 -2.167 700 HA LYS 88 HA LYS 88 -33.786 19.096 -0.155 701 HB2 LYS 88 2HB LYS 88 -31.431 19.829 0.045 702 HB3 LYS 88 1HB LYS 88 -31.480 20.390 -1.621 703 HG2 LYS 88 2HG LYS 88 -32.726 22.223 -1.119 704 HG3 LYS 88 1HG LYS 88 -33.533 21.438 0.241 705 HD2 LYS 88 2HD LYS 88 -31.479 21.615 1.561 706 HD3 LYS 88 1HD LYS 88 -30.670 22.394 0.201 707 HE2 LYS 88 2HE LYS 88 -32.940 23.441 1.870 708 HE3 LYS 88 1HE LYS 88 -31.334 24.136 1.652 709 HZ1 LYS 88 3HZ LYS 88 -33.659 24.239 -0.115 710 HZ2 LYS 88 1HZ LYS 88 -32.132 24.184 -0.841 711 HZ3 LYS 88 2HZ LYS 88 -32.514 25.434 0.233 712 H ASN 89 H ASN 89 -32.705 19.140 -3.522 713 HA ASN 89 HA ASN 89 -34.426 21.100 -4.501 714 HB2 ASN 89 2HB ASN 89 -32.497 19.515 -5.595 715 HB3 ASN 89 1HB ASN 89 -33.950 18.817 -6.305 716 HD21 ASN 89 1HD2 ASN 89 -33.885 19.530 -8.333 717 HD22 ASN 89 2HD2 ASN 89 -33.811 21.190 -8.802 718 H SER 90 H SER 90 -35.016 17.763 -3.686 719 HA SER 90 HA SER 90 -36.919 16.524 -3.567 720 HB2 SER 90 2HB SER 90 -37.721 19.217 -3.032 721 HB3 SER 90 1HB SER 90 -38.984 18.437 -3.983 722 HG SER 90 HG SER 90 -39.541 17.533 -2.180 723 H VAL 91 H VAL 91 -36.446 15.495 -5.551 724 HA VAL 91 HA VAL 91 -38.369 16.146 -7.660 725 HB VAL 91 HB VAL 91 -36.567 15.613 -9.374 726 HG11 VAL 91 1HG1 VAL 91 -35.493 18.021 -8.875 727 HG12 VAL 91 2HG1 VAL 91 -36.903 18.098 -7.820 728 HG13 VAL 91 3HG1 VAL 91 -37.109 17.800 -9.545 729 HG21 VAL 91 3HG2 VAL 91 -34.960 14.700 -7.697 730 HG22 VAL 91 1HG2 VAL 91 -34.711 16.346 -7.116 731 HG23 VAL 91 2HG2 VAL 91 -34.270 15.918 -8.769 732 H ALA 92 H ALA 92 -39.446 14.390 -8.267 733 HA ALA 92 HA ALA 92 -38.179 11.757 -7.877 734 HB1 ALA 92 1HB ALA 92 -40.095 10.859 -6.972 735 HB2 ALA 92 2HB ALA 92 -41.142 12.073 -7.709 736 HB3 ALA 92 3HB ALA 92 -40.143 12.496 -6.319 737 H ALA 93 H ALA 93 -37.689 11.007 -9.838 738 HA ALA 93 HA ALA 93 -39.811 10.876 -11.843 739 HB1 ALA 93 1HB ALA 93 -38.856 12.652 -12.870 740 HB2 ALA 93 2HB ALA 93 -37.772 11.411 -13.499 741 HB3 ALA 93 3HB ALA 93 -37.287 12.387 -12.113 742 H ARG 94 H ARG 94 -38.661 9.661 -13.881 743 HA ARG 94 HA ARG 94 -37.858 7.101 -12.760 744 HB2 ARG 94 2HB ARG 94 -39.602 7.561 -14.671 745 HB3 ARG 94 1HB ARG 94 -38.175 7.597 -15.695 746 HG2 ARG 94 2HG ARG 94 -38.606 5.399 -15.880 747 HG3 ARG 94 1HG ARG 94 -37.707 5.318 -14.365 748 HD2 ARG 94 2HD ARG 94 -40.291 5.893 -13.566 749 HD3 ARG 94 1HD ARG 94 -40.510 4.768 -14.906 750 HE ARG 94 HE ARG 94 -38.578 3.614 -13.367 751 HH11 ARG 94 1HH1 ARG 94 -41.819 4.765 -12.770 752 HH12 ARG 94 2HH1 ARG 94 -42.128 3.617 -11.511 753 HH21 ARG 94 1HH2 ARG 94 -38.984 2.103 -11.711 754 HH22 ARG 94 2HH2 ARG 94 -40.520 2.106 -10.909 755 H SER 95 H SER 95 -35.913 6.110 -13.077 756 HA SER 95 HA SER 95 -33.681 7.774 -13.701 757 HB2 SER 95 2HB SER 95 -34.083 4.987 -12.760 758 HB3 SER 95 1HB SER 95 -32.560 5.335 -13.578 759 HG SER 95 HG SER 95 -33.275 5.927 -11.080 760 HA PRO 96 HA PRO 96 -33.113 4.941 -17.550 761 HB2 PRO 96 2HB PRO 96 -35.068 3.152 -18.139 762 HB3 PRO 96 1HB PRO 96 -33.694 2.766 -17.094 763 HG2 PRO 96 2HG PRO 96 -36.490 3.526 -16.345 764 HG3 PRO 96 1HG PRO 96 -35.446 2.272 -15.650 765 HD2 PRO 96 2HD PRO 96 -35.810 4.686 -14.475 766 HD3 PRO 96 1HD PRO 96 -34.290 3.779 -14.347 767 H GLU 97 H GLU 97 -33.622 7.076 -18.348 768 HA GLU 97 HA GLU 97 -35.915 7.036 -20.135 769 HB2 GLU 97 2HB GLU 97 -35.629 8.867 -17.816 770 HB3 GLU 97 1HB GLU 97 -36.188 9.580 -19.324 771 HG2 GLU 97 2HG GLU 97 -37.855 7.561 -19.300 772 HG3 GLU 97 1HG GLU 97 -37.504 7.567 -17.572 773 H LYS 98 H LYS 98 -33.270 9.094 -18.926 774 HA LYS 98 HA LYS 98 -32.155 9.291 -21.580 775 HB2 LYS 98 2HB LYS 98 -32.213 11.757 -21.648 776 HB3 LYS 98 1HB LYS 98 -33.823 11.051 -21.699 777 HG2 LYS 98 2HG LYS 98 -34.298 12.560 -20.124 778 HG3 LYS 98 1HG LYS 98 -33.501 11.426 -19.032 779 HD2 LYS 98 2HD LYS 98 -31.542 13.087 -20.319 780 HD3 LYS 98 1HD LYS 98 -32.786 14.092 -19.572 781 HE2 LYS 98 2HE LYS 98 -32.357 12.267 -17.615 782 HE3 LYS 98 1HE LYS 98 -30.752 12.363 -18.338 783 HZ1 LYS 98 3HZ LYS 98 -31.054 14.868 -18.128 784 HZ2 LYS 98 1HZ LYS 98 -30.757 14.000 -16.706 785 HZ3 LYS 98 2HZ LYS 98 -32.325 14.516 -17.071 786 H ALA 99 H ALA 99 -30.036 10.201 -21.603 787 HA ALA 99 HA ALA 99 -28.569 9.682 -19.208 788 HB1 ALA 99 1HB ALA 99 -27.897 10.464 -21.992 789 HB2 ALA 99 2HB ALA 99 -27.293 9.129 -21.011 790 HB3 ALA 99 3HB ALA 99 -26.695 10.766 -20.737 791 H SER 100 H SER 100 -28.709 12.634 -21.213 792 HA SER 100 HA SER 100 -29.161 14.329 -18.961 793 HB2 SER 100 2HB SER 100 -26.859 15.564 -19.596 794 HB3 SER 100 1HB SER 100 -26.967 14.345 -18.326 795 HG SER 100 HG SER 100 -25.404 13.507 -19.504 796 H ASN 101 H ASN 101 -27.349 14.685 -22.013 797 HA ASN 101 HA ASN 101 -29.464 16.506 -22.953 798 HB2 ASN 101 2HB ASN 101 -26.670 17.088 -22.461 799 HB3 ASN 101 1HB ASN 101 -27.080 17.370 -24.151 800 HD21 ASN 101 1HD2 ASN 101 -28.665 17.863 -21.011 801 HD22 ASN 101 2HD2 ASN 101 -29.116 19.504 -21.307 802 H MET 102 H MET 102 -26.693 14.501 -23.916 803 HA MET 102 HA MET 102 -26.302 13.221 -25.754 804 HB2 MET 102 2HB MET 102 -28.924 12.734 -25.022 805 HB3 MET 102 1HB MET 102 -29.051 13.099 -26.737 806 HG2 MET 102 2HG MET 102 -26.928 11.212 -25.908 807 HG3 MET 102 1HG MET 102 -28.596 10.652 -25.813 808 HE1 MET 102 3HE MET 102 -28.988 9.093 -27.185 809 HE2 MET 102 1HE MET 102 -27.596 8.672 -28.183 810 HE3 MET 102 2HE MET 102 -29.110 9.165 -28.942 811 H GLU 103 H GLU 103 -25.195 14.456 -27.165 812 HA GLU 103 HA GLU 103 -26.752 16.129 -29.026 813 HB2 GLU 103 2HB GLU 103 -24.063 16.504 -27.775 814 HB3 GLU 103 1HB GLU 103 -24.368 17.194 -29.362 815 HG2 GLU 103 2HG GLU 103 -26.574 17.916 -27.817 816 HG3 GLU 103 1HG GLU 103 -25.174 18.131 -26.765 817 H ASN 104 H ASN 104 -25.179 16.541 -31.073 818 HA ASN 104 HA ASN 104 -24.507 13.848 -32.061 819 HB2 ASN 104 2HB ASN 104 -25.688 16.254 -33.422 820 HB3 ASN 104 1HB ASN 104 -24.860 15.011 -34.355 821 HD21 ASN 104 1HD2 ASN 104 -27.617 15.759 -34.506 822 HD22 ASN 104 2HD2 ASN 104 -28.545 14.361 -34.095 823 H ASN 105 H ASN 105 -23.600 17.276 -32.371 824 HA ASN 105 HA ASN 105 -20.927 16.430 -33.248 825 HB2 ASN 105 2HB ASN 105 -22.368 19.075 -33.486 826 HB3 ASN 105 1HB ASN 105 -20.674 18.852 -33.911 827 HD21 ASN 105 1HD2 ASN 105 -20.368 16.830 -35.373 828 HD22 ASN 105 2HD2 ASN 105 -21.438 16.750 -36.726 829 H GLU 106 H GLU 106 -19.148 18.004 -32.504 830 HA GLU 106 HA GLU 106 -19.532 18.603 -29.644 831 HB2 GLU 106 2HB GLU 106 -18.088 16.586 -30.158 832 HB3 GLU 106 1HB GLU 106 -16.940 17.697 -30.894 833 HG2 GLU 106 2HG GLU 106 -16.083 17.452 -28.779 834 HG3 GLU 106 1HG GLU 106 -17.049 18.917 -28.610 Start of MODEL 11 1 H1 GLY 1 1HT GLY 1 -6.757 -38.962 -15.378 2 H2 GLY 1 2HT GLY 1 -7.398 -40.305 -14.575 3 H3 GLY 1 3HT GLY 1 -5.778 -40.305 -15.061 4 HA2 GLY 1 1HA GLY 1 -6.575 -39.718 -12.587 5 HA3 GLY 1 2HA GLY 1 -5.081 -39.134 -13.302 6 HA PRO 2 HA PRO 2 -8.712 -35.708 -13.396 7 HB2 PRO 2 2HB PRO 2 -9.398 -36.293 -10.555 8 HB3 PRO 2 1HB PRO 2 -10.434 -35.727 -11.869 9 HG2 PRO 2 2HG PRO 2 -10.541 -38.258 -11.056 10 HG3 PRO 2 1HG PRO 2 -10.668 -37.849 -12.777 11 HD2 PRO 2 2HD PRO 2 -8.365 -38.995 -11.263 12 HD3 PRO 2 1HD PRO 2 -8.892 -39.310 -12.930 13 H GLY 3 H GLY 3 -7.312 -34.055 -13.361 14 HA2 GLY 3 2HA GLY 3 -5.410 -33.755 -11.190 15 HA3 GLY 3 1HA GLY 3 -5.516 -32.757 -12.634 16 H SER 4 H SER 4 -5.860 -32.716 -9.377 17 HA SER 4 HA SER 4 -7.106 -30.141 -9.396 18 HB2 SER 4 2HB SER 4 -9.066 -30.648 -8.091 19 HB3 SER 4 1HB SER 4 -9.081 -31.695 -9.510 20 HG SER 4 HG SER 4 -8.022 -33.277 -8.057 21 H LEU 5 H LEU 5 -7.015 -29.088 -7.333 22 HA LEU 5 HA LEU 5 -4.699 -29.657 -5.867 23 HB2 LEU 5 2HB LEU 5 -6.916 -27.743 -5.710 24 HB3 LEU 5 1HB LEU 5 -6.192 -28.113 -4.156 25 HG LEU 5 HG LEU 5 -4.319 -27.458 -6.356 26 HD11 LEU 5 1HD1 LEU 5 -4.838 -25.278 -6.613 27 HD12 LEU 5 2HD1 LEU 5 -5.459 -25.119 -4.970 28 HD13 LEU 5 3HD1 LEU 5 -6.462 -25.848 -6.225 29 HD21 LEU 5 3HD2 LEU 5 -4.520 -27.102 -3.401 30 HD22 LEU 5 1HD2 LEU 5 -3.441 -26.062 -4.331 31 HD23 LEU 5 2HD2 LEU 5 -3.224 -27.812 -4.364 32 H SER 6 H SER 6 -4.714 -29.917 -3.415 33 HA SER 6 HA SER 6 -6.780 -31.194 -2.042 34 HB2 SER 6 2HB SER 6 -5.079 -32.980 -3.696 35 HB3 SER 6 1HB SER 6 -5.427 -33.520 -2.054 36 HG SER 6 HG SER 6 -7.700 -33.028 -2.634 37 H ASN 7 H ASN 7 -3.304 -30.938 -2.528 38 HA ASN 7 HA ASN 7 -1.596 -30.504 -1.092 39 HB2 ASN 7 2HB ASN 7 -3.956 -29.478 0.297 40 HB3 ASN 7 1HB ASN 7 -2.678 -29.978 1.401 41 HD21 ASN 7 1HD2 ASN 7 -3.658 -27.318 0.866 42 HD22 ASN 7 2HD2 ASN 7 -2.311 -26.403 0.289 43 H PHE 8 H PHE 8 -0.854 -32.627 -1.137 44 HA PHE 8 HA PHE 8 -1.843 -34.510 0.846 45 HB2 PHE 8 2HB PHE 8 -1.281 -35.195 -1.512 46 HB3 PHE 8 1HB PHE 8 0.411 -34.895 -1.128 47 HD1 PHE 8 2HD PHE 8 -2.472 -36.703 0.414 48 HD2 PHE 8 1HD PHE 8 1.649 -36.753 -0.644 49 HE1 PHE 8 2HE PHE 8 -2.275 -38.989 1.304 50 HE2 PHE 8 1HE PHE 8 1.853 -39.039 0.245 51 HZ PHE 8 HZ PHE 8 -0.111 -40.159 1.222 52 H ALA 9 H ALA 9 1.037 -32.606 0.159 53 HA ALA 9 HA ALA 9 2.641 -33.745 2.217 54 HB1 ALA 9 1HB ALA 9 3.778 -31.328 1.814 55 HB2 ALA 9 2HB ALA 9 2.865 -31.511 0.315 56 HB3 ALA 9 3HB ALA 9 4.049 -32.732 0.781 57 H ASN 10 H ASN 10 3.673 -31.846 3.745 58 HA ASN 10 HA ASN 10 1.491 -31.197 5.538 59 HB2 ASN 10 2HB ASN 10 3.267 -30.582 7.124 60 HB3 ASN 10 1HB ASN 10 3.534 -32.189 6.454 61 HD21 ASN 10 1HD2 ASN 10 5.161 -29.675 7.453 62 HD22 ASN 10 2HD2 ASN 10 6.482 -29.647 6.340 63 H VAL 11 H VAL 11 1.577 -29.025 6.669 64 HA VAL 11 HA VAL 11 1.296 -26.768 6.576 65 HB VAL 11 HB VAL 11 3.495 -26.777 4.507 66 HG11 VAL 11 1HG1 VAL 11 2.573 -24.631 4.583 67 HG12 VAL 11 2HG1 VAL 11 3.959 -24.540 5.672 68 HG13 VAL 11 3HG1 VAL 11 2.329 -24.698 6.329 69 HG21 VAL 11 3HG2 VAL 11 4.671 -27.809 6.138 70 HG22 VAL 11 1HG2 VAL 11 3.557 -27.303 7.410 71 HG23 VAL 11 2HG2 VAL 11 4.768 -26.176 6.799 72 H GLY 12 H GLY 12 -0.635 -26.283 5.723 73 HA2 GLY 12 2HA GLY 12 -0.756 -25.877 2.810 74 HA3 GLY 12 1HA GLY 12 -2.011 -26.818 3.604 75 H VAL 13 H VAL 13 -2.901 -24.752 2.225 76 HA VAL 13 HA VAL 13 -3.553 -22.750 4.285 77 HB VAL 13 HB VAL 13 -2.046 -21.749 2.624 78 HG11 VAL 13 1HG1 VAL 13 -3.242 -23.341 0.796 79 HG12 VAL 13 2HG1 VAL 13 -2.278 -21.921 0.392 80 HG13 VAL 13 3HG1 VAL 13 -4.037 -21.803 0.460 81 HG21 VAL 13 3HG2 VAL 13 -3.268 -19.773 2.278 82 HG22 VAL 13 1HG2 VAL 13 -3.982 -20.501 3.718 83 HG23 VAL 13 2HG2 VAL 13 -4.799 -20.641 2.161 84 H GLY 14 H GLY 14 -5.670 -22.079 4.400 85 HA2 GLY 14 2HA GLY 14 -7.942 -22.096 4.044 86 HA3 GLY 14 1HA GLY 14 -7.614 -22.614 2.398 87 H THR 15 H THR 15 -7.730 -23.829 5.734 88 HA THR 15 HA THR 15 -8.807 -26.352 4.665 89 HB THR 15 HB THR 15 -7.448 -26.662 7.220 90 HG1 THR 15 1HG THR 15 -5.896 -25.863 4.986 91 HG21 THR 15 3HG2 THR 15 -7.916 -28.631 6.066 92 HG22 THR 15 1HG2 THR 15 -6.182 -28.393 5.854 93 HG23 THR 15 2HG2 THR 15 -7.293 -27.994 4.544 94 H SER 16 H SER 16 -8.569 -24.257 7.521 95 HA SER 16 HA SER 16 -11.204 -25.260 8.378 96 HB2 SER 16 2HB SER 16 -10.436 -24.217 10.639 97 HB3 SER 16 1HB SER 16 -9.769 -25.773 10.146 98 HG SER 16 HG SER 16 -8.050 -24.541 10.743 99 H SER 17 H SER 17 -12.692 -23.729 9.284 100 HA SER 17 HA SER 17 -12.278 -20.998 8.254 101 HB2 SER 17 2HB SER 17 -14.150 -22.530 7.284 102 HB3 SER 17 1HB SER 17 -14.998 -22.159 8.784 103 HG SER 17 HG SER 17 -13.926 -20.154 7.101 104 H GLY 18 H GLY 18 -12.074 -19.473 9.745 105 HA2 GLY 18 2HA GLY 18 -13.772 -19.067 11.913 106 HA3 GLY 18 1HA GLY 18 -12.394 -19.976 12.513 107 H LYS 19 H LYS 19 -13.223 -17.054 10.669 108 HA LYS 19 HA LYS 19 -10.676 -15.838 11.024 109 HB2 LYS 19 2HB LYS 19 -13.220 -15.162 9.780 110 HB3 LYS 19 1HB LYS 19 -12.487 -13.774 10.573 111 HG2 LYS 19 2HG LYS 19 -10.360 -14.844 9.241 112 HG3 LYS 19 1HG LYS 19 -11.698 -15.188 8.141 113 HD2 LYS 19 2HD LYS 19 -12.339 -12.706 8.553 114 HD3 LYS 19 1HD LYS 19 -10.671 -12.547 9.110 115 HE2 LYS 19 2HE LYS 19 -10.687 -11.966 6.809 116 HE3 LYS 19 1HE LYS 19 -9.956 -13.566 6.928 117 HZ1 LYS 19 3HZ LYS 19 -11.652 -14.518 5.827 118 HZ2 LYS 19 1HZ LYS 19 -11.895 -12.959 5.217 119 HZ3 LYS 19 2HZ LYS 19 -12.829 -13.515 6.513 120 H GLN 20 H GLN 20 -9.902 -15.228 12.928 121 HA GLN 20 HA GLN 20 -11.653 -13.723 14.737 122 HB2 GLN 20 2HB GLN 20 -10.363 -16.296 15.261 123 HB3 GLN 20 1HB GLN 20 -9.977 -15.076 16.467 124 HG2 GLN 20 2HG GLN 20 -12.204 -14.830 17.105 125 HG3 GLN 20 1HG GLN 20 -12.805 -15.596 15.635 126 HE21 GLN 20 1HE2 GLN 20 -11.680 -16.060 18.838 127 HE22 GLN 20 2HE2 GLN 20 -11.889 -17.774 18.905 128 H LYS 21 H LYS 21 -10.114 -12.903 16.657 129 HA LYS 21 HA LYS 21 -8.474 -11.446 17.255 130 HB2 LYS 21 2HB LYS 21 -7.134 -13.540 16.330 131 HB3 LYS 21 1HB LYS 21 -6.669 -12.396 15.081 132 HG2 LYS 21 2HG LYS 21 -6.087 -10.866 17.123 133 HG3 LYS 21 1HG LYS 21 -6.012 -12.406 17.982 134 HD2 LYS 21 2HD LYS 21 -4.616 -12.791 15.576 135 HD3 LYS 21 1HD LYS 21 -4.100 -11.221 16.192 136 HE2 LYS 21 2HE LYS 21 -3.832 -12.446 18.446 137 HE3 LYS 21 1HE LYS 21 -3.880 -13.918 17.479 138 HZ1 LYS 21 3HZ LYS 21 -2.061 -11.839 16.571 139 HZ2 LYS 21 1HZ LYS 21 -1.857 -13.517 16.606 140 HZ3 LYS 21 2HZ LYS 21 -1.643 -12.612 18.016 141 H ARG 22 H ARG 22 -7.595 -9.422 16.699 142 HA ARG 22 HA ARG 22 -8.199 -8.488 13.975 143 HB2 ARG 22 2HB ARG 22 -9.775 -7.803 16.029 144 HB3 ARG 22 1HB ARG 22 -8.534 -6.572 16.222 145 HG2 ARG 22 2HG ARG 22 -10.245 -7.060 13.796 146 HG3 ARG 22 1HG ARG 22 -10.306 -5.679 14.891 147 HD2 ARG 22 2HD ARG 22 -7.944 -6.420 13.169 148 HD3 ARG 22 1HD ARG 22 -9.134 -5.183 12.770 149 HE ARG 22 HE ARG 22 -6.978 -4.978 14.669 150 HH11 ARG 22 1HH1 ARG 22 -10.080 -3.710 13.694 151 HH12 ARG 22 2HH1 ARG 22 -9.829 -2.174 14.451 152 HH21 ARG 22 1HH2 ARG 22 -6.646 -2.959 15.664 153 HH22 ARG 22 2HH2 ARG 22 -7.880 -1.746 15.568 154 H TYR 23 H TYR 23 -6.116 -8.418 13.260 155 HA TYR 23 HA TYR 23 -4.468 -6.280 14.316 156 HB2 TYR 23 2HB TYR 23 -3.980 -8.869 15.196 157 HB3 TYR 23 1HB TYR 23 -2.815 -8.645 13.896 158 HD1 TYR 23 1HD TYR 23 -3.860 -7.533 17.225 159 HD2 TYR 23 2HD TYR 23 -1.027 -7.013 14.093 160 HE1 TYR 23 1HE TYR 23 -2.405 -6.274 18.757 161 HE2 TYR 23 2HE TYR 23 0.435 -5.755 15.616 162 HH TYR 23 HH TYR 23 -0.572 -4.505 18.520 163 H LYS 24 H LYS 24 -4.178 -9.099 12.146 164 HA LYS 24 HA LYS 24 -3.120 -7.308 10.069 165 HB2 LYS 24 2HB LYS 24 -3.059 -10.330 10.240 166 HB3 LYS 24 1HB LYS 24 -2.314 -9.360 8.976 167 HG2 LYS 24 2HG LYS 24 -0.579 -8.722 10.290 168 HG3 LYS 24 1HG LYS 24 -1.537 -8.769 11.772 169 HD2 LYS 24 2HD LYS 24 -0.166 -10.593 12.074 170 HD3 LYS 24 1HD LYS 24 -1.567 -11.348 11.311 171 HE2 LYS 24 2HE LYS 24 -0.436 -11.206 9.136 172 HE3 LYS 24 1HE LYS 24 0.968 -10.485 9.920 173 HZ1 LYS 24 3HZ LYS 24 1.638 -12.623 9.952 174 HZ2 LYS 24 1HZ LYS 24 0.067 -13.251 9.905 175 HZ3 LYS 24 2HZ LYS 24 0.708 -12.686 11.365 176 H PHE 25 H PHE 25 -4.295 -6.762 8.420 177 HA PHE 25 HA PHE 25 -6.304 -8.506 7.314 178 HB2 PHE 25 2HB PHE 25 -6.999 -6.267 9.043 179 HB3 PHE 25 1HB PHE 25 -7.746 -6.152 7.453 180 HD1 PHE 25 1HD PHE 25 -7.514 -8.124 10.534 181 HD2 PHE 25 2HD PHE 25 -9.436 -7.703 6.760 182 HE1 PHE 25 1HE PHE 25 -9.240 -9.730 11.239 183 HE2 PHE 25 2HE PHE 25 -11.165 -9.307 7.458 184 HZ PHE 25 HZ PHE 25 -11.070 -10.322 9.700 185 H SER 26 H SER 26 -7.193 -7.627 5.271 186 HA SER 26 HA SER 26 -5.097 -6.460 3.722 187 HB2 SER 26 2HB SER 26 -7.944 -6.634 2.769 188 HB3 SER 26 1HB SER 26 -6.452 -6.851 1.854 189 HG SER 26 HG SER 26 -7.847 -8.769 2.623 190 H ALA 27 H ALA 27 -5.509 -4.734 5.729 191 HA ALA 27 HA ALA 27 -5.731 -2.259 4.617 192 HB1 ALA 27 1HB ALA 27 -7.966 -2.402 4.036 193 HB2 ALA 27 2HB ALA 27 -8.044 -1.619 5.614 194 HB3 ALA 27 3HB ALA 27 -8.385 -3.343 5.469 195 H SER 28 H SER 28 -6.107 -4.360 7.379 196 HA SER 28 HA SER 28 -6.242 -2.507 9.452 197 HB2 SER 28 2HB SER 28 -5.333 -5.302 9.175 198 HB3 SER 28 1HB SER 28 -4.679 -4.431 10.560 199 HG SER 28 HG SER 28 -7.441 -4.491 9.938 200 H GLU 29 H GLU 29 -3.570 -3.335 7.387 201 HA GLU 29 HA GLU 29 -1.428 -2.483 8.964 202 HB2 GLU 29 2HB GLU 29 -1.110 -3.697 6.874 203 HB3 GLU 29 1HB GLU 29 -1.764 -2.343 5.962 204 HG2 GLU 29 2HG GLU 29 0.459 -1.563 7.654 205 HG3 GLU 29 1HG GLU 29 0.893 -2.826 6.504 206 H ASP 30 H ASP 30 -3.295 -0.641 6.547 207 HA ASP 30 HA ASP 30 -2.012 1.810 6.895 208 HB2 ASP 30 2HB ASP 30 -4.039 0.887 5.299 209 HB3 ASP 30 1HB ASP 30 -4.898 1.996 6.365 210 H GLU 31 H GLU 31 -4.734 0.379 8.600 211 HA GLU 31 HA GLU 31 -5.339 2.654 10.184 212 HB2 GLU 31 2HB GLU 31 -6.122 -0.202 10.142 213 HB3 GLU 31 1HB GLU 31 -6.290 0.623 11.685 214 HG2 GLU 31 2HG GLU 31 -8.368 0.810 10.603 215 HG3 GLU 31 1HG GLU 31 -7.601 2.391 10.470 216 H ALA 32 H ALA 32 -3.054 0.042 10.470 217 HA ALA 32 HA ALA 32 -2.500 0.381 13.235 218 HB1 ALA 32 1HB ALA 32 -0.360 -0.684 11.505 219 HB2 ALA 32 2HB ALA 32 -1.897 -1.546 11.463 220 HB3 ALA 32 3HB ALA 32 -1.047 -1.334 12.993 221 H ILE 33 H ILE 33 -1.178 1.774 10.286 222 HA ILE 33 HA ILE 33 1.022 3.049 11.578 223 HB ILE 33 HB ILE 33 -0.173 4.119 9.047 224 HG12 ILE 33 2HG1 ILE 33 1.526 1.628 9.319 225 HG13 ILE 33 1HG1 ILE 33 -0.123 1.712 8.712 226 HG21 ILE 33 1HG2 ILE 33 2.662 3.826 10.030 227 HG22 ILE 33 2HG2 ILE 33 1.696 5.300 10.085 228 HG23 ILE 33 3HG2 ILE 33 2.159 4.607 8.531 229 HD11 ILE 33 3HD1 ILE 33 0.524 2.373 6.672 230 HD12 ILE 33 1HD1 ILE 33 2.061 1.653 7.149 231 HD13 ILE 33 2HD1 ILE 33 1.820 3.394 7.294 232 H ILE 34 H ILE 34 -2.172 4.162 10.513 233 HA ILE 34 HA ILE 34 -1.851 6.820 11.389 234 HB ILE 34 HB ILE 34 -4.327 6.966 11.338 235 HG12 ILE 34 2HG1 ILE 34 -5.324 4.772 10.206 236 HG13 ILE 34 1HG1 ILE 34 -4.029 4.010 11.120 237 HG21 ILE 34 1HG2 ILE 34 -2.632 6.077 9.111 238 HG22 ILE 34 2HG2 ILE 34 -3.664 7.501 9.261 239 HG23 ILE 34 3HG2 ILE 34 -4.369 5.941 8.834 240 HD11 ILE 34 3HD1 ILE 34 -5.158 5.629 12.996 241 HD12 ILE 34 1HD1 ILE 34 -5.528 3.921 12.767 242 HD13 ILE 34 2HD1 ILE 34 -6.552 5.150 12.030 243 H LYS 35 H LYS 35 -2.992 3.896 12.982 244 HA LYS 35 HA LYS 35 -3.800 5.233 15.384 245 HB2 LYS 35 2HB LYS 35 -3.460 2.390 14.531 246 HB3 LYS 35 1HB LYS 35 -3.543 2.745 16.251 247 HG2 LYS 35 2HG LYS 35 -5.638 4.085 14.765 248 HG3 LYS 35 1HG LYS 35 -5.675 2.335 14.543 249 HD2 LYS 35 2HD LYS 35 -6.470 2.016 16.602 250 HD3 LYS 35 1HD LYS 35 -5.211 3.026 17.312 251 HE2 LYS 35 2HE LYS 35 -7.666 4.138 15.969 252 HE3 LYS 35 1HE LYS 35 -7.577 3.798 17.698 253 HZ1 LYS 35 3HZ LYS 35 -6.070 5.805 16.138 254 HZ2 LYS 35 1HZ LYS 35 -5.526 5.284 17.654 255 HZ3 LYS 35 2HZ LYS 35 -7.032 6.038 17.510 256 H GLY 36 H GLY 36 -0.915 3.612 14.224 257 HA2 GLY 36 2HA GLY 36 0.504 3.517 16.659 258 HA3 GLY 36 1HA GLY 36 1.219 3.487 15.053 259 H LEU 37 H LEU 37 0.515 5.927 14.050 260 HA LEU 37 HA LEU 37 2.396 7.635 15.319 261 HB2 LEU 37 2HB LEU 37 0.477 7.938 13.039 262 HB3 LEU 37 1HB LEU 37 1.321 9.342 13.666 263 HG LEU 37 HG LEU 37 3.109 7.100 13.110 264 HD11 LEU 37 1HD1 LEU 37 1.258 6.908 11.345 265 HD12 LEU 37 2HD1 LEU 37 2.931 6.983 10.792 266 HD13 LEU 37 3HD1 LEU 37 1.908 8.418 10.703 267 HD21 LEU 37 3HD2 LEU 37 4.440 8.823 12.102 268 HD22 LEU 37 1HD2 LEU 37 3.778 9.439 13.615 269 HD23 LEU 37 2HD2 LEU 37 3.067 9.931 12.078 270 H ALA 38 H ALA 38 -1.133 7.522 15.216 271 HA ALA 38 HA ALA 38 -1.674 9.957 16.470 272 HB1 ALA 38 1HB ALA 38 -3.595 9.082 15.645 273 HB2 ALA 38 2HB ALA 38 -3.755 8.508 17.306 274 HB3 ALA 38 3HB ALA 38 -3.147 7.426 16.052 275 H ARG 39 H ARG 39 -0.443 6.993 17.754 276 HA ARG 39 HA ARG 39 -1.075 7.738 20.495 277 HB2 ARG 39 2HB ARG 39 -0.561 5.291 19.129 278 HB3 ARG 39 1HB ARG 39 0.648 5.470 20.392 279 HG2 ARG 39 2HG ARG 39 -2.286 5.816 20.922 280 HG3 ARG 39 1HG ARG 39 -1.481 4.246 21.005 281 HD2 ARG 39 2HD ARG 39 0.045 5.104 22.698 282 HD3 ARG 39 1HD ARG 39 -0.713 6.692 22.594 283 HE ARG 39 HE ARG 39 -2.702 4.830 23.196 284 HH11 ARG 39 1HH1 ARG 39 0.159 6.181 24.668 285 HH12 ARG 39 2HH1 ARG 39 -0.425 5.980 26.286 286 HH21 ARG 39 1HH2 ARG 39 -3.474 4.566 25.323 287 HH22 ARG 39 2HH2 ARG 39 -2.487 5.063 26.657 288 H PHE 40 H PHE 40 1.670 7.604 18.315 289 HA PHE 40 HA PHE 40 3.195 9.211 20.197 290 HB2 PHE 40 2HB PHE 40 5.153 7.452 19.333 291 HB3 PHE 40 1HB PHE 40 4.425 7.489 20.933 292 HD1 PHE 40 1HD PHE 40 4.293 5.864 17.623 293 HD2 PHE 40 2HD PHE 40 3.014 5.750 21.681 294 HE1 PHE 40 1HE PHE 40 3.454 3.577 17.290 295 HE2 PHE 40 2HE PHE 40 2.170 3.461 21.355 296 HZ PHE 40 HZ PHE 40 2.390 2.371 19.157 297 H THR 41 H THR 41 4.268 10.771 19.203 298 HA THR 41 HA THR 41 5.792 10.684 16.932 299 HB THR 41 HB THR 41 3.888 10.101 15.590 300 HG1 THR 41 1HG THR 41 5.344 11.861 14.876 301 HG21 THR 41 3HG2 THR 41 2.225 11.139 17.278 302 HG22 THR 41 1HG2 THR 41 1.831 11.120 15.558 303 HG23 THR 41 2HG2 THR 41 2.434 12.597 16.309 304 H LYS 42 H LYS 42 6.869 12.081 18.398 305 HA LYS 42 HA LYS 42 5.790 14.823 18.431 306 HB2 LYS 42 2HB LYS 42 7.699 13.683 20.466 307 HB3 LYS 42 1HB LYS 42 6.809 15.195 20.556 308 HG2 LYS 42 2HG LYS 42 4.884 14.187 21.208 309 HG3 LYS 42 1HG LYS 42 5.226 12.702 20.320 310 HD2 LYS 42 2HD LYS 42 7.091 13.260 22.515 311 HD3 LYS 42 1HD LYS 42 5.425 12.990 23.026 312 HE2 LYS 42 2HE LYS 42 5.560 10.941 21.420 313 HE3 LYS 42 1HE LYS 42 7.301 11.141 21.616 314 HZ1 LYS 42 3HZ LYS 42 5.914 9.630 23.226 315 HZ2 LYS 42 1HZ LYS 42 5.634 11.096 24.024 316 HZ3 LYS 42 2HZ LYS 42 7.218 10.545 23.799 317 H GLY 43 H GLY 43 7.262 13.936 16.258 318 HA2 GLY 43 2HA GLY 43 8.844 15.414 15.131 319 HA3 GLY 43 1HA GLY 43 9.767 15.457 16.624 320 H GLN 44 H GLN 44 11.273 14.922 14.599 321 HA GLN 44 HA GLN 44 12.739 13.448 13.681 322 HB2 GLN 44 2HB GLN 44 12.605 12.792 16.288 323 HB3 GLN 44 1HB GLN 44 12.051 11.280 15.582 324 HG2 GLN 44 2HG GLN 44 14.277 11.953 14.078 325 HG3 GLN 44 1HG GLN 44 14.714 12.395 15.727 326 HE21 GLN 44 1HE2 GLN 44 15.064 10.039 13.609 327 HE22 GLN 44 2HE2 GLN 44 15.065 8.654 14.641 328 H GLN 45 H GLN 45 9.782 13.346 13.018 329 HA GLN 45 HA GLN 45 8.330 12.114 11.763 330 HB2 GLN 45 2HB GLN 45 11.042 11.484 10.711 331 HB3 GLN 45 1HB GLN 45 9.699 10.509 10.130 332 HG2 GLN 45 2HG GLN 45 8.590 12.411 9.245 333 HG3 GLN 45 1HG GLN 45 9.710 13.512 10.045 334 HE21 GLN 45 1HE2 GLN 45 10.383 10.556 8.237 335 HE22 GLN 45 2HE2 GLN 45 11.341 11.309 7.013 336 H ARG 46 H ARG 46 7.395 10.926 13.473 337 HA ARG 46 HA ARG 46 8.478 8.508 14.460 338 HB2 ARG 46 2HB ARG 46 6.328 10.151 15.108 339 HB3 ARG 46 1HB ARG 46 5.580 8.635 14.627 340 HG2 ARG 46 2HG ARG 46 7.721 8.949 16.722 341 HG3 ARG 46 1HG ARG 46 6.000 8.715 17.030 342 HD2 ARG 46 2HD ARG 46 6.037 6.521 16.220 343 HD3 ARG 46 1HD ARG 46 7.569 6.761 15.383 344 HE ARG 46 HE ARG 46 8.220 7.113 17.987 345 HH11 ARG 46 1HH1 ARG 46 6.558 4.577 16.257 346 HH12 ARG 46 2HH1 ARG 46 7.076 3.329 17.340 347 HH21 ARG 46 1HH2 ARG 46 8.902 5.470 19.411 348 HH22 ARG 46 2HH2 ARG 46 8.405 3.835 19.130 349 H PHE 47 H PHE 47 6.663 9.266 11.621 350 HA PHE 47 HA PHE 47 5.282 7.006 11.003 351 HB2 PHE 47 2HB PHE 47 7.053 8.406 8.998 352 HB3 PHE 47 1HB PHE 47 5.550 7.547 8.684 353 HD1 PHE 47 2HD PHE 47 3.399 8.527 9.391 354 HD2 PHE 47 1HD PHE 47 7.060 10.667 9.715 355 HE1 PHE 47 2HE PHE 47 2.143 10.629 9.630 356 HE2 PHE 47 1HE PHE 47 5.813 12.775 9.953 357 HZ PHE 47 HZ PHE 47 3.350 12.758 9.909 358 H GLN 48 H GLN 48 8.781 7.450 10.666 359 HA GLN 48 HA GLN 48 9.239 4.924 9.447 360 HB2 GLN 48 2HB GLN 48 10.770 7.208 10.089 361 HB3 GLN 48 1HB GLN 48 11.546 5.854 10.896 362 HG2 GLN 48 2HG GLN 48 10.773 5.321 8.125 363 HG3 GLN 48 1HG GLN 48 11.974 6.598 8.321 364 HE21 GLN 48 1HE2 GLN 48 11.266 3.224 8.828 365 HE22 GLN 48 2HE2 GLN 48 12.898 2.713 9.070 366 H GLN 49 H GLN 49 9.768 6.090 12.778 367 HA GLN 49 HA GLN 49 10.661 3.682 13.865 368 HB2 GLN 49 2HB GLN 49 10.320 6.184 14.832 369 HB3 GLN 49 1HB GLN 49 8.967 5.370 15.606 370 HG2 GLN 49 2HG GLN 49 10.297 4.408 17.089 371 HG3 GLN 49 1HG GLN 49 11.362 3.793 15.826 372 HE21 GLN 49 1HE2 GLN 49 11.257 5.663 18.499 373 HE22 GLN 49 2HE2 GLN 49 12.614 6.688 18.202 374 H ILE 50 H ILE 50 7.364 5.011 13.786 375 HA ILE 50 HA ILE 50 6.082 2.894 15.072 376 HB ILE 50 HB ILE 50 5.099 5.154 14.534 377 HG12 ILE 50 2HG1 ILE 50 3.803 3.177 15.389 378 HG13 ILE 50 1HG1 ILE 50 2.849 4.350 14.488 379 HG21 ILE 50 1HG2 ILE 50 5.646 5.310 12.199 380 HG22 ILE 50 2HG2 ILE 50 3.895 5.370 12.392 381 HG23 ILE 50 3HG2 ILE 50 4.669 3.887 11.836 382 HD11 ILE 50 3HD1 ILE 50 2.065 2.602 13.368 383 HD12 ILE 50 1HD1 ILE 50 3.342 1.541 13.960 384 HD13 ILE 50 2HD1 ILE 50 3.625 2.563 12.552 385 H TYR 51 H TYR 51 6.949 3.377 11.699 386 HA TYR 51 HA TYR 51 5.536 1.250 10.567 387 HB2 TYR 51 2HB TYR 51 6.519 2.821 9.084 388 HB3 TYR 51 1HB TYR 51 8.116 2.603 9.790 389 HD1 TYR 51 1HD TYR 51 5.494 0.500 8.137 390 HD2 TYR 51 2HD TYR 51 9.631 1.411 8.532 391 HE1 TYR 51 1HE TYR 51 6.020 -1.177 6.419 392 HE2 TYR 51 2HE TYR 51 10.168 -0.262 6.813 393 HH TYR 51 HH TYR 51 7.860 -2.527 5.666 394 H TYR 52 H TYR 52 8.716 1.377 12.074 395 HA TYR 52 HA TYR 52 9.425 -1.314 11.537 396 HB2 TYR 52 2HB TYR 52 10.488 0.907 13.164 397 HB3 TYR 52 1HB TYR 52 10.892 -0.705 13.745 398 HD1 TYR 52 2HD TYR 52 11.424 -2.296 11.475 399 HD2 TYR 52 1HD TYR 52 12.244 1.843 12.012 400 HE1 TYR 52 2HE TYR 52 13.235 -2.445 9.816 401 HE2 TYR 52 1HE TYR 52 14.056 1.707 10.354 402 HH TYR 52 HH TYR 52 15.606 -0.257 9.480 403 H ALA 53 H ALA 53 7.697 0.255 14.160 404 HA ALA 53 HA ALA 53 7.746 -1.928 15.958 405 HB1 ALA 53 1HB ALA 53 6.555 -0.603 17.339 406 HB2 ALA 53 2HB ALA 53 5.419 -0.129 16.076 407 HB3 ALA 53 3HB ALA 53 6.999 0.649 16.178 408 H TYR 54 H TYR 54 5.218 -0.786 13.738 409 HA TYR 54 HA TYR 54 3.599 -3.112 14.219 410 HB2 TYR 54 2HB TYR 54 1.932 -2.002 13.150 411 HB3 TYR 54 1HB TYR 54 2.966 -0.614 13.457 412 HD1 TYR 54 1HD TYR 54 1.933 -3.065 10.885 413 HD2 TYR 54 2HD TYR 54 3.924 0.612 11.664 414 HE1 TYR 54 1HE TYR 54 1.980 -2.586 8.475 415 HE2 TYR 54 2HE TYR 54 3.976 1.101 9.256 416 HH TYR 54 HH TYR 54 3.861 -0.069 7.135 417 H ARG 55 H ARG 55 6.373 -2.745 12.513 418 HA ARG 55 HA ARG 55 5.967 -3.867 10.021 419 HB2 ARG 55 2HB ARG 55 8.132 -2.998 11.264 420 HB3 ARG 55 1HB ARG 55 8.350 -4.707 11.614 421 HG2 ARG 55 2HG ARG 55 7.895 -3.707 8.823 422 HG3 ARG 55 1HG ARG 55 9.502 -3.769 9.550 423 HD2 ARG 55 2HD ARG 55 7.639 -6.033 8.916 424 HD3 ARG 55 1HD ARG 55 9.293 -5.784 8.364 425 HE ARG 55 HE ARG 55 8.466 -7.068 10.767 426 HH11 ARG 55 1HH1 ARG 55 10.997 -5.100 9.389 427 HH12 ARG 55 2HH1 ARG 55 12.209 -5.672 10.484 428 HH21 ARG 55 1HH2 ARG 55 10.060 -7.822 12.209 429 HH22 ARG 55 2HH2 ARG 55 11.678 -7.219 12.085 430 H SER 56 H SER 56 6.013 -5.393 13.162 431 HA SER 56 HA SER 56 6.314 -8.065 12.330 432 HB2 SER 56 2HB SER 56 5.201 -6.743 14.781 433 HB3 SER 56 1HB SER 56 5.004 -8.481 14.562 434 HG SER 56 HG SER 56 7.260 -8.661 14.416 435 H VAL 57 H VAL 57 3.663 -5.886 12.106 436 HA VAL 57 HA VAL 57 1.620 -7.907 11.946 437 HB VAL 57 HB VAL 57 1.468 -4.999 11.136 438 HG11 VAL 57 1HG1 VAL 57 -0.293 -6.457 10.187 439 HG12 VAL 57 2HG1 VAL 57 -0.924 -5.256 11.314 440 HG13 VAL 57 3HG1 VAL 57 -0.740 -6.936 11.825 441 HG21 VAL 57 3HG2 VAL 57 2.096 -5.154 13.448 442 HG22 VAL 57 1HG2 VAL 57 0.836 -6.348 13.752 443 HG23 VAL 57 2HG2 VAL 57 0.398 -4.688 13.346 444 H TRP 58 H TRP 58 2.399 -5.406 9.536 445 HA TRP 58 HA TRP 58 2.189 -7.485 7.469 446 HB2 TRP 58 2HB TRP 58 0.408 -5.468 7.794 447 HB3 TRP 58 1HB TRP 58 1.549 -4.709 6.690 448 HD1 TRP 58 HD TRP 58 0.512 -4.847 4.360 449 HE1 TRP 58 1HE TRP 58 -0.606 -6.682 2.943 450 HE3 TRP 58 3HE TRP 58 0.426 -8.606 7.822 451 HZ2 TRP 58 2HZ TRP 58 -1.420 -9.367 3.254 452 HZ3 TRP 58 3HZ TRP 58 -0.541 -10.777 7.183 453 HH2 TRP 58 HH TRP 58 -1.444 -11.148 4.945 454 H HIS 59 H HIS 59 3.372 -7.060 5.478 455 HA HIS 59 HA HIS 59 5.322 -6.657 4.374 456 HB2 HIS 59 2HB HIS 59 4.772 -4.026 5.715 457 HB3 HIS 59 1HB HIS 59 6.230 -4.249 4.753 458 HD1 HIS 59 1HD HIS 59 5.515 -5.413 2.240 459 HD2 HIS 59 2HD HIS 59 2.808 -2.960 4.218 460 HE1 HIS 59 1HE HIS 59 3.909 -4.624 0.474 461 HE2 HIS 59 2HE HIS 59 2.227 -3.213 1.710 462 HA PRO 60 HA PRO 60 7.942 -7.763 7.999 463 HB2 PRO 60 2HB PRO 60 9.107 -9.911 6.839 464 HB3 PRO 60 1HB PRO 60 7.524 -9.993 7.622 465 HG2 PRO 60 2HG PRO 60 8.187 -9.752 4.712 466 HG3 PRO 60 1HG PRO 60 6.974 -10.776 5.502 467 HD2 PRO 60 2HD PRO 60 6.354 -8.432 4.279 468 HD3 PRO 60 1HD PRO 60 5.455 -9.057 5.676 469 H ALA 61 H ALA 61 8.536 -6.814 4.769 470 HA ALA 61 HA ALA 61 11.428 -6.620 5.244 471 HB1 ALA 61 1HB ALA 61 10.500 -5.854 2.591 472 HB2 ALA 61 2HB ALA 61 10.050 -7.501 3.035 473 HB3 ALA 61 3HB ALA 61 11.744 -7.008 3.067 474 H ARG 62 H ARG 62 12.528 -4.644 4.591 475 HA ARG 62 HA ARG 62 11.300 -2.337 5.679 476 HB2 ARG 62 2HB ARG 62 13.768 -2.421 3.941 477 HB3 ARG 62 1HB ARG 62 13.333 -1.182 5.111 478 HG2 ARG 62 2HG ARG 62 13.398 -3.193 6.794 479 HG3 ARG 62 1HG ARG 62 14.430 -3.910 5.554 480 HD2 ARG 62 2HD ARG 62 16.071 -2.299 5.799 481 HD3 ARG 62 1HD ARG 62 14.954 -1.122 6.488 482 HE ARG 62 HE ARG 62 15.342 -2.011 8.566 483 HH11 ARG 62 1HH1 ARG 62 16.585 -4.194 6.142 484 HH12 ARG 62 2HH1 ARG 62 17.395 -5.205 7.290 485 HH21 ARG 62 1HH2 ARG 62 16.406 -3.341 10.077 486 HH22 ARG 62 2HH2 ARG 62 17.293 -4.722 9.524 487 H THR 63 H THR 63 10.465 -0.516 4.714 488 HA THR 63 HA THR 63 10.584 0.096 1.977 489 HB THR 63 HB THR 63 9.219 -1.979 1.807 490 HG1 THR 63 1HG THR 63 8.999 -0.125 0.360 491 HG21 THR 63 3HG2 THR 63 6.682 -1.303 2.415 492 HG22 THR 63 1HG2 THR 63 7.549 -0.580 3.769 493 HG23 THR 63 2HG2 THR 63 7.720 -2.301 3.433 494 H VAL 64 H VAL 64 10.964 1.690 4.076 495 HA VAL 64 HA VAL 64 8.837 3.030 5.219 496 HB VAL 64 HB VAL 64 11.453 4.228 4.280 497 HG11 VAL 64 1HG1 VAL 64 9.924 6.019 4.661 498 HG12 VAL 64 2HG1 VAL 64 10.989 5.928 6.065 499 HG13 VAL 64 3HG1 VAL 64 9.348 5.287 6.158 500 HG21 VAL 64 3HG2 VAL 64 11.791 2.392 5.821 501 HG22 VAL 64 1HG2 VAL 64 10.615 3.080 6.942 502 HG23 VAL 64 2HG2 VAL 64 12.137 3.919 6.632 503 H SER 65 H SER 65 10.132 3.247 1.977 504 HA SER 65 HA SER 65 8.863 5.596 1.124 505 HB2 SER 65 2HB SER 65 9.757 3.111 -0.333 506 HB3 SER 65 1HB SER 65 8.971 4.442 -1.181 507 HG SER 65 HG SER 65 11.240 4.815 0.468 508 H GLN 66 H GLN 66 7.808 2.227 1.206 509 HA GLN 66 HA GLN 66 5.303 2.615 -0.035 510 HB2 GLN 66 2HB GLN 66 6.520 0.522 1.683 511 HB3 GLN 66 1HB GLN 66 4.767 0.551 1.600 512 HG2 GLN 66 2HG GLN 66 5.073 0.574 -0.938 513 HG3 GLN 66 1HG GLN 66 6.737 0.097 -0.606 514 HE21 GLN 66 1HE2 GLN 66 7.091 -1.996 -0.631 515 HE22 GLN 66 2HE2 GLN 66 5.934 -3.233 -0.289 516 H LEU 67 H LEU 67 6.432 2.959 3.267 517 HA LEU 67 HA LEU 67 4.025 3.227 4.626 518 HB2 LEU 67 2HB LEU 67 6.450 3.227 5.515 519 HB3 LEU 67 1HB LEU 67 6.409 4.953 5.217 520 HG LEU 67 HG LEU 67 5.937 4.472 7.552 521 HD11 LEU 67 1HD1 LEU 67 3.358 5.328 6.270 522 HD12 LEU 67 2HD1 LEU 67 4.795 6.355 6.299 523 HD13 LEU 67 3HD1 LEU 67 4.046 5.843 7.811 524 HD21 LEU 67 3HD2 LEU 67 3.597 2.890 6.496 525 HD22 LEU 67 1HD2 LEU 67 3.896 3.273 8.193 526 HD23 LEU 67 2HD2 LEU 67 5.020 2.239 7.311 527 H TYR 68 H TYR 68 5.979 5.704 3.041 528 HA TYR 68 HA TYR 68 4.201 7.841 3.517 529 HB2 TYR 68 2HB TYR 68 6.405 7.377 1.521 530 HB3 TYR 68 1HB TYR 68 5.415 8.829 1.450 531 HD1 TYR 68 1HD TYR 68 6.602 7.064 4.501 532 HD2 TYR 68 2HD TYR 68 6.966 10.501 2.017 533 HE1 TYR 68 1HE TYR 68 8.042 8.121 6.187 534 HE2 TYR 68 2HE TYR 68 8.409 11.566 3.697 535 HH TYR 68 HH TYR 68 8.802 10.287 6.865 536 H ASP 69 H ASP 69 4.315 5.286 1.162 537 HA ASP 69 HA ASP 69 2.591 6.413 -0.764 538 HB2 ASP 69 2HB ASP 69 4.112 4.335 -0.956 539 HB3 ASP 69 1HB ASP 69 2.768 3.461 -0.230 540 H HIS 70 H HIS 70 1.917 4.180 1.935 541 HA HIS 70 HA HIS 70 -0.914 4.299 1.428 542 HB2 HIS 70 2HB HIS 70 -0.329 3.459 4.131 543 HB3 HIS 70 1HB HIS 70 -1.074 2.554 2.822 544 HD1 HIS 70 1HD HIS 70 2.048 2.938 4.717 545 HD2 HIS 70 2HD HIS 70 0.775 1.019 1.262 546 HE1 HIS 70 1HE HIS 70 3.853 1.290 4.169 547 HE2 HIS 70 2HE HIS 70 2.976 0.013 2.174 548 H TRP 71 H TRP 71 1.395 6.024 3.311 549 HA TRP 71 HA TRP 71 -0.420 7.300 5.076 550 HB2 TRP 71 2HB TRP 71 1.979 7.118 5.560 551 HB3 TRP 71 1HB TRP 71 2.343 8.131 4.168 552 HD1 TRP 71 HD TRP 71 3.135 10.389 5.074 553 HE1 TRP 71 1HE TRP 71 2.312 12.052 6.857 554 HE3 TRP 71 3HE TRP 71 -0.760 7.679 6.980 555 HZ2 TRP 71 2HZ TRP 71 0.281 12.197 8.812 556 HZ3 TRP 71 3HZ TRP 71 -2.091 8.652 8.805 557 HH2 TRP 71 HH TRP 71 -1.581 10.865 9.701 558 H ARG 72 H ARG 72 0.839 8.024 1.871 559 HA ARG 72 HA ARG 72 -0.262 10.666 1.766 560 HB2 ARG 72 2HB ARG 72 1.362 8.987 0.071 561 HB3 ARG 72 1HB ARG 72 0.074 9.727 -0.866 562 HG2 ARG 72 2HG ARG 72 1.062 11.715 -0.831 563 HG3 ARG 72 1HG ARG 72 1.343 11.630 0.908 564 HD2 ARG 72 2HD ARG 72 3.466 11.785 -0.185 565 HD3 ARG 72 1HD ARG 72 3.294 10.151 0.452 566 HE ARG 72 HE ARG 72 3.395 9.355 -1.684 567 HH11 ARG 72 1HH1 ARG 72 2.630 12.758 -1.806 568 HH12 ARG 72 2HH1 ARG 72 2.760 12.853 -3.530 569 HH21 ARG 72 1HH2 ARG 72 3.567 9.478 -3.951 570 HH22 ARG 72 2HH2 ARG 72 3.291 10.992 -4.748 571 H GLY 73 H GLY 73 -1.256 7.468 0.679 572 HA2 GLY 73 2HA GLY 73 -3.583 8.326 -0.716 573 HA3 GLY 73 1HA GLY 73 -3.253 6.689 -0.162 574 H THR 74 H THR 74 -2.918 7.543 2.627 575 HA THR 74 HA THR 74 -5.646 7.315 3.432 576 HB THR 74 HB THR 74 -3.179 7.904 5.082 577 HG1 THR 74 1HG THR 74 -3.278 5.873 3.856 578 HG21 THR 74 3HG2 THR 74 -5.194 6.415 6.454 579 HG22 THR 74 1HG2 THR 74 -5.861 7.945 5.882 580 HG23 THR 74 2HG2 THR 74 -4.423 7.936 6.904 581 H LEU 75 H LEU 75 -3.227 9.908 3.587 582 HA LEU 75 HA LEU 75 -4.761 11.808 4.938 583 HB2 LEU 75 2HB LEU 75 -2.238 11.718 3.859 584 HB3 LEU 75 1HB LEU 75 -3.033 12.894 2.831 585 HG LEU 75 HG LEU 75 -1.808 13.882 4.763 586 HD11 LEU 75 1HD1 LEU 75 -4.641 14.338 4.112 587 HD12 LEU 75 2HD1 LEU 75 -3.272 15.447 4.079 588 HD13 LEU 75 3HD1 LEU 75 -4.068 15.075 5.607 589 HD21 LEU 75 3HD2 LEU 75 -2.818 11.867 6.229 590 HD22 LEU 75 1HD2 LEU 75 -3.973 13.139 6.621 591 HD23 LEU 75 2HD2 LEU 75 -2.254 13.388 6.919 592 H ARG 76 H ARG 76 -4.641 10.955 1.527 593 HA ARG 76 HA ARG 76 -6.524 13.060 0.829 594 HB2 ARG 76 2HB ARG 76 -4.476 11.945 -0.560 595 HB3 ARG 76 1HB ARG 76 -5.828 11.006 -1.179 596 HG2 ARG 76 2HG ARG 76 -5.736 12.750 -2.671 597 HG3 ARG 76 1HG ARG 76 -6.944 13.325 -1.522 598 HD2 ARG 76 2HD ARG 76 -5.603 15.180 -1.706 599 HD3 ARG 76 1HD ARG 76 -4.865 14.372 -0.325 600 HE ARG 76 HE ARG 76 -2.966 14.148 -1.559 601 HH11 ARG 76 1HH1 ARG 76 -5.647 14.547 -3.757 602 HH12 ARG 76 2HH1 ARG 76 -4.646 14.585 -5.170 603 HH21 ARG 76 1HH2 ARG 76 -1.648 14.198 -3.415 604 HH22 ARG 76 2HH2 ARG 76 -2.375 14.387 -4.975 605 H TYR 77 H TYR 77 -8.389 12.423 1.930 606 HA TYR 77 HA TYR 77 -9.505 9.825 1.757 607 HB2 TYR 77 2HB TYR 77 -10.731 12.488 2.486 608 HB3 TYR 77 1HB TYR 77 -11.586 10.955 2.612 609 HD1 TYR 77 2HD TYR 77 -10.227 9.096 3.976 610 HD2 TYR 77 1HD TYR 77 -9.716 13.299 4.388 611 HE1 TYR 77 2HE TYR 77 -9.289 8.756 6.224 612 HE2 TYR 77 1HE TYR 77 -8.777 12.971 6.636 613 HH TYR 77 HH TYR 77 -7.730 10.024 7.780 614 H LYS 78 H LYS 78 -11.215 9.046 0.528 615 HA LYS 78 HA LYS 78 -12.184 10.710 -1.675 616 HB2 LYS 78 2HB LYS 78 -10.577 8.212 -1.915 617 HB3 LYS 78 1HB LYS 78 -11.889 8.455 -3.059 618 HG2 LYS 78 2HG LYS 78 -10.912 10.423 -3.915 619 HG3 LYS 78 1HG LYS 78 -9.763 10.521 -2.579 620 HD2 LYS 78 2HD LYS 78 -8.906 8.248 -3.417 621 HD3 LYS 78 1HD LYS 78 -9.798 8.613 -4.895 622 HE2 LYS 78 2HE LYS 78 -7.713 10.415 -3.675 623 HE3 LYS 78 1HE LYS 78 -7.395 9.262 -4.971 624 HZ1 LYS 78 3HZ LYS 78 -8.050 11.793 -5.401 625 HZ2 LYS 78 1HZ LYS 78 -9.598 11.108 -5.410 626 HZ3 LYS 78 2HZ LYS 78 -8.418 10.552 -6.488 627 H VAL 79 H VAL 79 -13.985 10.575 -0.034 628 HA VAL 79 HA VAL 79 -15.423 8.050 0.020 629 HB VAL 79 HB VAL 79 -17.057 9.276 1.438 630 HG11 VAL 79 1HG1 VAL 79 -15.450 8.109 2.658 631 HG12 VAL 79 2HG1 VAL 79 -15.366 9.741 3.322 632 HG13 VAL 79 3HG1 VAL 79 -14.150 9.196 2.167 633 HG21 VAL 79 3HG2 VAL 79 -16.633 11.513 2.170 634 HG22 VAL 79 1HG2 VAL 79 -16.613 11.509 0.407 635 HG23 VAL 79 2HG2 VAL 79 -15.096 11.562 1.306 636 H ILE 80 H ILE 80 -15.642 11.210 -1.483 637 HA ILE 80 HA ILE 80 -18.261 10.650 -2.604 638 HB ILE 80 HB ILE 80 -17.904 12.865 -3.779 639 HG12 ILE 80 2HG1 ILE 80 -15.638 13.242 -1.833 640 HG13 ILE 80 1HG1 ILE 80 -15.348 12.664 -3.471 641 HG21 ILE 80 1HG2 ILE 80 -17.736 12.880 -0.768 642 HG22 ILE 80 2HG2 ILE 80 -19.203 12.610 -1.710 643 HG23 ILE 80 3HG2 ILE 80 -18.379 14.167 -1.790 644 HD11 ILE 80 3HD1 ILE 80 -16.612 15.280 -2.694 645 HD12 ILE 80 1HD1 ILE 80 -16.409 14.700 -4.346 646 HD13 ILE 80 2HD1 ILE 80 -14.993 15.042 -3.352 647 H GLN 81 H GLN 81 -17.443 8.704 -3.729 648 HA GLN 81 HA GLN 81 -16.954 9.289 -6.478 649 HB2 GLN 81 2HB GLN 81 -14.656 9.203 -5.028 650 HB3 GLN 81 1HB GLN 81 -14.810 7.515 -5.494 651 HG2 GLN 81 2HG GLN 81 -14.144 7.943 -7.562 652 HG3 GLN 81 1HG GLN 81 -15.307 9.257 -7.736 653 HE21 GLN 81 1HE2 GLN 81 -12.263 8.711 -8.222 654 HE22 GLN 81 2HE2 GLN 81 -11.537 10.191 -7.702 655 H GLN 82 H GLN 82 -17.660 7.660 -7.763 656 HA GLN 82 HA GLN 82 -18.657 5.264 -6.398 657 HB2 GLN 82 2HB GLN 82 -19.373 6.533 -9.042 658 HB3 GLN 82 1HB GLN 82 -19.977 4.961 -8.538 659 HG2 GLN 82 2HG GLN 82 -20.956 6.051 -6.530 660 HG3 GLN 82 1HG GLN 82 -20.466 7.609 -7.195 661 HE21 GLN 82 1HE2 GLN 82 -21.042 7.307 -9.838 662 HE22 GLN 82 2HE2 GLN 82 -22.745 7.113 -10.054 663 H GLN 83 H GLN 83 -17.985 3.246 -6.902 664 HA GLN 83 HA GLN 83 -16.135 2.926 -9.164 665 HB2 GLN 83 2HB GLN 83 -15.698 2.200 -6.291 666 HB3 GLN 83 1HB GLN 83 -14.952 1.229 -7.552 667 HG2 GLN 83 2HG GLN 83 -14.203 3.631 -8.407 668 HG3 GLN 83 1HG GLN 83 -14.373 3.999 -6.690 669 HE21 GLN 83 1HE2 GLN 83 -13.098 1.332 -8.664 670 HE22 GLN 83 2HE2 GLN 83 -11.611 1.180 -7.801 671 H GLY 84 H GLY 84 -18.274 2.153 -10.032 672 HA2 GLY 84 2HA GLY 84 -18.633 -0.178 -10.914 673 HA3 GLY 84 1HA GLY 84 -18.765 -0.648 -9.226 674 H TYR 85 H TYR 85 -20.832 -1.453 -10.470 675 HA TYR 85 HA TYR 85 -22.901 0.631 -10.295 676 HB2 TYR 85 2HB TYR 85 -22.673 -1.888 -11.909 677 HB3 TYR 85 1HB TYR 85 -24.260 -1.216 -11.551 678 HD1 TYR 85 2HD TYR 85 -21.128 -0.725 -13.385 679 HD2 TYR 85 1HD TYR 85 -24.976 0.880 -12.541 680 HE1 TYR 85 2HE TYR 85 -20.892 0.826 -15.280 681 HE2 TYR 85 1HE TYR 85 -24.752 2.433 -14.434 682 HH TYR 85 HH TYR 85 -22.829 3.491 -15.730 683 H ARG 86 H ARG 86 -24.248 0.577 -8.630 684 HA ARG 86 HA ARG 86 -24.338 -1.831 -6.965 685 HB2 ARG 86 2HB ARG 86 -24.907 1.070 -6.478 686 HB3 ARG 86 1HB ARG 86 -25.628 -0.141 -5.428 687 HG2 ARG 86 2HG ARG 86 -22.715 -0.339 -5.923 688 HG3 ARG 86 1HG ARG 86 -23.284 0.991 -4.912 689 HD2 ARG 86 2HD ARG 86 -23.828 -1.944 -4.482 690 HD3 ARG 86 1HD ARG 86 -22.716 -0.943 -3.551 691 HE ARG 86 HE ARG 86 -25.537 -1.133 -3.212 692 HH11 ARG 86 1HH1 ARG 86 -22.843 1.071 -2.958 693 HH12 ARG 86 2HH1 ARG 86 -23.606 2.065 -1.764 694 HH21 ARG 86 1HH2 ARG 86 -26.543 0.173 -1.639 695 HH22 ARG 86 2HH2 ARG 86 -25.705 1.555 -1.014 696 H GLY 87 H GLY 87 -26.272 -2.814 -6.359 697 HA2 GLY 87 2HA GLY 87 -28.612 -3.106 -6.348 698 HA3 GLY 87 1HA GLY 87 -28.752 -1.838 -7.557 699 H LYS 88 H LYS 88 -27.250 -5.057 -7.237 700 HA LYS 88 HA LYS 88 -28.609 -5.895 -9.675 701 HB2 LYS 88 2HB LYS 88 -26.260 -4.926 -10.170 702 HB3 LYS 88 1HB LYS 88 -25.658 -6.402 -9.427 703 HG2 LYS 88 2HG LYS 88 -26.577 -7.755 -11.101 704 HG3 LYS 88 1HG LYS 88 -27.635 -6.467 -11.680 705 HD2 LYS 88 2HD LYS 88 -26.021 -5.544 -12.954 706 HD3 LYS 88 1HD LYS 88 -24.762 -5.846 -11.755 707 HE2 LYS 88 2HE LYS 88 -25.300 -8.370 -12.543 708 HE3 LYS 88 1HE LYS 88 -25.654 -7.494 -14.031 709 HZ1 LYS 88 3HZ LYS 88 -23.501 -6.969 -14.337 710 HZ2 LYS 88 1HZ LYS 88 -23.222 -8.322 -13.359 711 HZ3 LYS 88 2HZ LYS 88 -23.184 -6.770 -12.688 712 H ASN 89 H ASN 89 -28.255 -8.275 -10.082 713 HA ASN 89 HA ASN 89 -28.475 -9.672 -7.533 714 HB2 ASN 89 2HB ASN 89 -29.246 -11.583 -8.982 715 HB3 ASN 89 1HB ASN 89 -30.247 -10.137 -9.075 716 HD21 ASN 89 1HD2 ASN 89 -29.297 -12.500 -10.902 717 HD22 ASN 89 2HD2 ASN 89 -29.028 -11.706 -12.412 718 H SER 90 H SER 90 -26.402 -9.947 -6.799 719 HA SER 90 HA SER 90 -24.350 -10.902 -6.580 720 HB2 SER 90 2HB SER 90 -25.941 -12.894 -7.447 721 HB3 SER 90 1HB SER 90 -24.785 -12.848 -8.779 722 HG SER 90 HG SER 90 -23.989 -14.231 -7.230 723 H VAL 91 H VAL 91 -23.367 -8.995 -7.433 724 HA VAL 91 HA VAL 91 -22.728 -8.856 -10.241 725 HB VAL 91 HB VAL 91 -23.126 -6.806 -8.927 726 HG11 VAL 91 1HG1 VAL 91 -20.468 -7.324 -7.612 727 HG12 VAL 91 2HG1 VAL 91 -22.017 -7.675 -6.844 728 HG13 VAL 91 3HG1 VAL 91 -21.605 -6.018 -7.282 729 HG21 VAL 91 3HG2 VAL 91 -20.685 -7.301 -10.503 730 HG22 VAL 91 1HG2 VAL 91 -20.712 -5.801 -9.576 731 HG23 VAL 91 2HG2 VAL 91 -21.984 -6.134 -10.752 732 H ALA 92 H ALA 92 -20.874 -9.437 -11.226 733 HA ALA 92 HA ALA 92 -18.860 -10.434 -11.579 734 HB1 ALA 92 1HB ALA 92 -17.908 -9.673 -8.862 735 HB2 ALA 92 2HB ALA 92 -18.288 -8.399 -10.021 736 HB3 ALA 92 3HB ALA 92 -17.067 -9.611 -10.410 737 H ALA 93 H ALA 93 -17.181 -11.990 -10.419 738 HA ALA 93 HA ALA 93 -18.688 -13.894 -8.754 739 HB1 ALA 93 1HB ALA 93 -18.210 -15.686 -10.089 740 HB2 ALA 93 2HB ALA 93 -16.751 -14.949 -10.748 741 HB3 ALA 93 3HB ALA 93 -18.335 -14.424 -11.315 742 H ARG 94 H ARG 94 -17.693 -13.789 -6.837 743 HA ARG 94 HA ARG 94 -14.766 -14.095 -6.795 744 HB2 ARG 94 2HB ARG 94 -16.464 -12.377 -4.980 745 HB3 ARG 94 1HB ARG 94 -14.763 -12.725 -4.706 746 HG2 ARG 94 2HG ARG 94 -14.669 -11.793 -7.237 747 HG3 ARG 94 1HG ARG 94 -16.036 -10.877 -6.602 748 HD2 ARG 94 2HD ARG 94 -14.707 -9.579 -5.368 749 HD3 ARG 94 1HD ARG 94 -13.824 -10.964 -4.730 750 HE ARG 94 HE ARG 94 -12.178 -10.574 -6.267 751 HH11 ARG 94 1HH1 ARG 94 -15.051 -8.854 -7.247 752 HH12 ARG 94 2HH1 ARG 94 -14.260 -8.015 -8.538 753 HH21 ARG 94 1HH2 ARG 94 -11.135 -9.472 -7.965 754 HH22 ARG 94 2HH2 ARG 94 -12.037 -8.367 -8.947 755 H SER 95 H SER 95 -14.815 -16.291 -6.435 756 HA SER 95 HA SER 95 -14.875 -18.209 -5.224 757 HB2 SER 95 2HB SER 95 -14.527 -18.079 -2.930 758 HB3 SER 95 1HB SER 95 -14.020 -16.473 -3.454 759 HG SER 95 HG SER 95 -15.488 -16.544 -1.611 760 HA PRO 96 HA PRO 96 -19.119 -19.452 -5.491 761 HB2 PRO 96 2HB PRO 96 -18.291 -21.568 -3.564 762 HB3 PRO 96 1HB PRO 96 -19.111 -21.722 -5.122 763 HG2 PRO 96 2HG PRO 96 -16.534 -22.341 -4.879 764 HG3 PRO 96 1HG PRO 96 -17.140 -21.520 -6.328 765 HD2 PRO 96 2HD PRO 96 -15.595 -20.412 -4.026 766 HD3 PRO 96 1HD PRO 96 -15.505 -19.999 -5.750 767 H GLU 97 H GLU 97 -20.747 -18.513 -4.451 768 HA GLU 97 HA GLU 97 -22.095 -17.702 -2.811 769 HB2 GLU 97 2HB GLU 97 -20.669 -19.811 -1.184 770 HB3 GLU 97 1HB GLU 97 -22.048 -18.888 -0.603 771 HG2 GLU 97 2HG GLU 97 -22.223 -20.453 -3.143 772 HG3 GLU 97 1HG GLU 97 -22.428 -21.240 -1.579 773 H LYS 98 H LYS 98 -22.136 -16.180 -1.120 774 HA LYS 98 HA LYS 98 -19.684 -15.472 0.236 775 HB2 LYS 98 2HB LYS 98 -19.648 -13.157 -0.602 776 HB3 LYS 98 1HB LYS 98 -19.360 -14.324 -1.884 777 HG2 LYS 98 2HG LYS 98 -21.399 -13.932 -2.883 778 HG3 LYS 98 1HG LYS 98 -22.124 -13.310 -1.399 779 HD2 LYS 98 2HD LYS 98 -19.831 -11.770 -2.407 780 HD3 LYS 98 1HD LYS 98 -21.253 -11.762 -3.453 781 HE2 LYS 98 2HE LYS 98 -22.323 -10.360 -2.096 782 HE3 LYS 98 1HE LYS 98 -22.012 -11.389 -0.698 783 HZ1 LYS 98 3HZ LYS 98 -19.627 -10.304 -0.984 784 HZ2 LYS 98 1HZ LYS 98 -20.849 -9.573 -0.068 785 HZ3 LYS 98 2HZ LYS 98 -20.550 -9.053 -1.650 786 H ALA 99 H ALA 99 -20.073 -13.409 1.586 787 HA ALA 99 HA ALA 99 -22.804 -12.827 2.267 788 HB1 ALA 99 1HB ALA 99 -22.919 -13.771 4.406 789 HB2 ALA 99 2HB ALA 99 -21.187 -14.101 4.450 790 HB3 ALA 99 3HB ALA 99 -22.238 -15.050 3.401 791 H SER 100 H SER 100 -22.997 -11.115 3.820 792 HA SER 100 HA SER 100 -20.501 -9.756 4.532 793 HB2 SER 100 2HB SER 100 -21.920 -7.589 3.888 794 HB3 SER 100 1HB SER 100 -20.916 -8.429 2.705 795 HG SER 100 HG SER 100 -23.544 -8.026 2.652 796 H ASN 101 H ASN 101 -24.045 -9.391 4.756 797 HA ASN 101 HA ASN 101 -23.696 -8.753 7.613 798 HB2 ASN 101 2HB ASN 101 -25.588 -7.715 5.539 799 HB3 ASN 101 1HB ASN 101 -26.103 -7.754 7.222 800 HD21 ASN 101 1HD2 ASN 101 -25.457 -5.539 5.324 801 HD22 ASN 101 2HD2 ASN 101 -24.316 -4.556 6.170 802 H MET 102 H MET 102 -24.386 -10.250 8.977 803 HA MET 102 HA MET 102 -26.264 -12.289 8.022 804 HB2 MET 102 2HB MET 102 -23.919 -12.623 9.300 805 HB3 MET 102 1HB MET 102 -24.993 -12.542 10.690 806 HG2 MET 102 2HG MET 102 -25.369 -14.701 10.396 807 HG3 MET 102 1HG MET 102 -26.283 -14.264 8.954 808 HE1 MET 102 3HE MET 102 -22.311 -14.818 9.922 809 HE2 MET 102 1HE MET 102 -22.344 -16.450 9.251 810 HE3 MET 102 2HE MET 102 -23.479 -15.995 10.522 811 H GLU 103 H GLU 103 -28.179 -11.082 8.206 812 HA GLU 103 HA GLU 103 -30.074 -10.351 9.229 813 HB2 GLU 103 2HB GLU 103 -28.917 -11.885 11.563 814 HB3 GLU 103 1HB GLU 103 -30.552 -11.241 11.506 815 HG2 GLU 103 2HG GLU 103 -31.106 -13.254 10.731 816 HG3 GLU 103 1HG GLU 103 -30.452 -12.677 9.200 817 H ASN 104 H ASN 104 -27.662 -8.711 9.280 818 HA ASN 104 HA ASN 104 -26.935 -6.732 10.131 819 HB2 ASN 104 2HB ASN 104 -29.712 -6.680 10.302 820 HB3 ASN 104 1HB ASN 104 -29.178 -6.168 11.900 821 HD21 ASN 104 1HD2 ASN 104 -30.540 -4.451 10.288 822 HD22 ASN 104 2HD2 ASN 104 -29.489 -3.195 9.742 823 H ASN 105 H ASN 105 -26.715 -5.481 12.352 824 HA ASN 105 HA ASN 105 -25.690 -7.464 14.244 825 HB2 ASN 105 2HB ASN 105 -24.345 -5.446 13.289 826 HB3 ASN 105 1HB ASN 105 -25.236 -4.505 14.481 827 HD21 ASN 105 1HD2 ASN 105 -22.413 -5.982 13.965 828 HD22 ASN 105 2HD2 ASN 105 -21.971 -6.394 15.583 829 H GLU 106 H GLU 106 -26.219 -7.468 16.426 830 HA GLU 106 HA GLU 106 -28.334 -5.656 17.322 831 HB2 GLU 106 2HB GLU 106 -28.494 -8.670 17.369 832 HB3 GLU 106 1HB GLU 106 -29.528 -7.635 18.343 833 HG2 GLU 106 2HG GLU 106 -30.939 -7.629 16.636 834 HG3 GLU 106 1HG GLU 106 -29.779 -6.605 15.791 Start of MODEL 12 1 H1 GLY 1 1HT GLY 1 29.377 -0.113 28.342 2 H2 GLY 1 2HT GLY 1 30.870 0.600 27.996 3 H3 GLY 1 3HT GLY 1 29.497 1.040 27.111 4 HA2 GLY 1 1HA GLY 1 29.667 2.804 28.548 5 HA3 GLY 1 2HA GLY 1 28.537 1.745 29.378 6 HA PRO 2 HA PRO 2 33.060 1.321 31.406 7 HB2 PRO 2 2HB PRO 2 33.713 4.197 30.966 8 HB3 PRO 2 1HB PRO 2 34.784 2.793 31.002 9 HG2 PRO 2 2HG PRO 2 34.128 3.933 28.690 10 HG3 PRO 2 1HG PRO 2 34.263 2.170 28.827 11 HD2 PRO 2 2HD PRO 2 31.822 3.883 28.688 12 HD3 PRO 2 1HD PRO 2 32.106 2.264 28.019 13 H GLY 3 H GLY 3 32.065 1.137 33.348 14 HA2 GLY 3 2HA GLY 3 32.151 2.988 35.313 15 HA3 GLY 3 1HA GLY 3 30.627 3.355 34.522 16 H SER 4 H SER 4 29.112 1.477 34.268 17 HA SER 4 HA SER 4 28.647 0.295 36.795 18 HB2 SER 4 2HB SER 4 26.898 -1.046 35.450 19 HB3 SER 4 1HB SER 4 26.716 0.707 35.515 20 HG SER 4 HG SER 4 27.756 -0.862 33.397 21 H LEU 5 H LEU 5 28.091 -2.178 36.839 22 HA LEU 5 HA LEU 5 30.577 -3.547 36.417 23 HB2 LEU 5 2HB LEU 5 28.243 -3.895 38.022 24 HB3 LEU 5 1HB LEU 5 28.516 -5.375 37.122 25 HG LEU 5 HG LEU 5 31.006 -4.994 38.013 26 HD11 LEU 5 1HD1 LEU 5 30.683 -2.977 39.201 27 HD12 LEU 5 2HD1 LEU 5 30.796 -4.253 40.415 28 HD13 LEU 5 3HD1 LEU 5 29.223 -3.586 39.980 29 HD21 LEU 5 3HD2 LEU 5 30.202 -7.038 38.558 30 HD22 LEU 5 1HD2 LEU 5 28.643 -6.406 39.085 31 HD23 LEU 5 2HD2 LEU 5 30.046 -6.289 40.148 32 H SER 6 H SER 6 31.051 -3.997 34.340 33 HA SER 6 HA SER 6 28.984 -5.087 32.590 34 HB2 SER 6 2HB SER 6 31.751 -4.766 31.581 35 HB3 SER 6 1HB SER 6 30.217 -4.330 30.828 36 HG SER 6 HG SER 6 31.890 -2.836 32.422 37 H ASN 7 H ASN 7 28.827 -7.177 32.088 38 HA ASN 7 HA ASN 7 31.132 -8.932 32.565 39 HB2 ASN 7 2HB ASN 7 28.431 -9.093 33.796 40 HB3 ASN 7 1HB ASN 7 29.169 -10.609 33.288 41 HD21 ASN 7 1HD2 ASN 7 28.558 -9.699 35.960 42 HD22 ASN 7 2HD2 ASN 7 30.053 -9.678 36.826 43 H PHE 8 H PHE 8 30.947 -11.029 31.462 44 HA PHE 8 HA PHE 8 29.597 -10.695 28.883 45 HB2 PHE 8 2HB PHE 8 31.942 -12.343 29.792 46 HB3 PHE 8 1HB PHE 8 31.110 -12.710 28.285 47 HD1 PHE 8 1HD PHE 8 30.686 -10.493 26.802 48 HD2 PHE 8 2HD PHE 8 33.819 -11.051 29.626 49 HE1 PHE 8 1HE PHE 8 32.028 -8.786 25.644 50 HE2 PHE 8 2HE PHE 8 35.167 -9.346 28.475 51 HZ PHE 8 HZ PHE 8 34.271 -8.211 26.481 52 H ALA 9 H ALA 9 27.946 -11.949 28.272 53 HA ALA 9 HA ALA 9 27.535 -14.612 29.109 54 HB1 ALA 9 1HB ALA 9 25.362 -12.987 30.275 55 HB2 ALA 9 2HB ALA 9 26.899 -12.988 31.140 56 HB3 ALA 9 3HB ALA 9 26.063 -14.508 30.824 57 H ASN 10 H ASN 10 26.303 -15.576 27.622 58 HA ASN 10 HA ASN 10 24.261 -14.011 26.217 59 HB2 ASN 10 2HB ASN 10 25.015 -15.044 24.054 60 HB3 ASN 10 1HB ASN 10 26.145 -13.879 24.737 61 HD21 ASN 10 1HD2 ASN 10 25.827 -16.899 23.415 62 HD22 ASN 10 2HD2 ASN 10 27.328 -17.585 23.929 63 H VAL 11 H VAL 11 22.696 -15.180 27.364 64 HA VAL 11 HA VAL 11 22.579 -18.068 26.821 65 HB VAL 11 HB VAL 11 20.878 -18.146 28.632 66 HG11 VAL 11 1HG1 VAL 11 23.249 -16.823 29.844 67 HG12 VAL 11 2HG1 VAL 11 23.505 -18.275 28.875 68 HG13 VAL 11 3HG1 VAL 11 22.446 -18.332 30.283 69 HG21 VAL 11 3HG2 VAL 11 20.391 -15.606 28.282 70 HG22 VAL 11 1HG2 VAL 11 21.694 -15.392 29.451 71 HG23 VAL 11 2HG2 VAL 11 20.257 -16.315 29.892 72 H GLY 12 H GLY 12 20.455 -18.999 26.346 73 HA2 GLY 12 2HA GLY 12 18.891 -17.169 24.643 74 HA3 GLY 12 1HA GLY 12 19.014 -18.907 24.410 75 H VAL 13 H VAL 13 16.565 -18.212 24.294 76 HA VAL 13 HA VAL 13 15.426 -18.972 26.885 77 HB VAL 13 HB VAL 13 13.534 -17.363 26.496 78 HG11 VAL 13 1HG1 VAL 13 15.156 -15.308 27.019 79 HG12 VAL 13 2HG1 VAL 13 16.300 -16.632 27.245 80 HG13 VAL 13 3HG1 VAL 13 14.815 -16.580 28.194 81 HG21 VAL 13 3HG2 VAL 13 14.478 -15.318 25.079 82 HG22 VAL 13 1HG2 VAL 13 13.538 -16.617 24.346 83 HG23 VAL 13 2HG2 VAL 13 15.297 -16.628 24.228 84 H GLY 14 H GLY 14 14.773 -18.404 23.435 85 HA2 GLY 14 2HA GLY 14 14.004 -20.271 22.082 86 HA3 GLY 14 1HA GLY 14 13.082 -20.822 23.472 87 H THR 15 H THR 15 11.354 -19.294 24.237 88 HA THR 15 HA THR 15 9.466 -18.075 23.879 89 HB THR 15 HB THR 15 10.750 -17.049 21.347 90 HG1 THR 15 1HG THR 15 12.225 -16.533 22.841 91 HG21 THR 15 3HG2 THR 15 9.053 -15.649 21.205 92 HG22 THR 15 1HG2 THR 15 9.329 -15.095 22.857 93 HG23 THR 15 2HG2 THR 15 8.282 -16.480 22.555 94 H SER 16 H SER 16 10.526 -18.855 20.563 95 HA SER 16 HA SER 16 9.585 -20.121 18.924 96 HB2 SER 16 2HB SER 16 7.775 -21.290 21.046 97 HB3 SER 16 1HB SER 16 8.209 -22.006 19.493 98 HG SER 16 HG SER 16 9.433 -22.912 21.175 99 H SER 17 H SER 17 6.825 -19.552 21.113 100 HA SER 17 HA SER 17 4.825 -18.516 20.797 101 HB2 SER 17 2HB SER 17 6.705 -16.921 19.137 102 HB3 SER 17 1HB SER 17 4.983 -16.677 18.846 103 HG SER 17 HG SER 17 6.493 -16.167 21.152 104 H GLY 18 H GLY 18 3.032 -18.183 19.204 105 HA2 GLY 18 2HA GLY 18 3.039 -20.420 17.332 106 HA3 GLY 18 1HA GLY 18 1.633 -19.513 17.862 107 H LYS 19 H LYS 19 2.120 -20.203 15.187 108 HA LYS 19 HA LYS 19 2.702 -17.568 13.999 109 HB2 LYS 19 2HB LYS 19 4.277 -19.445 13.394 110 HB3 LYS 19 1HB LYS 19 2.921 -20.238 12.605 111 HG2 LYS 19 2HG LYS 19 2.779 -18.611 10.943 112 HG3 LYS 19 1HG LYS 19 3.727 -17.448 11.872 113 HD2 LYS 19 2HD LYS 19 5.518 -19.446 11.654 114 HD3 LYS 19 1HD LYS 19 4.608 -19.687 10.161 115 HE2 LYS 19 2HE LYS 19 4.958 -17.285 9.628 116 HE3 LYS 19 1HE LYS 19 5.982 -17.157 11.057 117 HZ1 LYS 19 3HZ LYS 19 7.548 -17.574 9.485 118 HZ2 LYS 19 1HZ LYS 19 6.509 -18.481 8.503 119 HZ3 LYS 19 2HZ LYS 19 7.176 -19.172 9.894 120 H GLN 20 H GLN 20 0.780 -16.620 13.691 121 HA GLN 20 HA GLN 20 -1.524 -18.181 12.856 122 HB2 GLN 20 2HB GLN 20 -2.755 -16.046 13.085 123 HB3 GLN 20 1HB GLN 20 -1.882 -16.485 14.548 124 HG2 GLN 20 2HG GLN 20 -0.208 -14.864 12.896 125 HG3 GLN 20 1HG GLN 20 -1.768 -14.073 13.114 126 HE21 GLN 20 1HE2 GLN 20 -2.529 -13.803 15.323 127 HE22 GLN 20 2HE2 GLN 20 -1.374 -13.567 16.586 128 H LYS 21 H LYS 21 -2.943 -17.109 11.114 129 HA LYS 21 HA LYS 21 -1.227 -16.297 8.859 130 HB2 LYS 21 2HB LYS 21 -2.738 -17.500 7.362 131 HB3 LYS 21 1HB LYS 21 -2.061 -18.584 8.568 132 HG2 LYS 21 2HG LYS 21 -4.068 -18.855 9.653 133 HG3 LYS 21 1HG LYS 21 -4.708 -17.315 9.076 134 HD2 LYS 21 2HD LYS 21 -4.847 -18.262 6.800 135 HD3 LYS 21 1HD LYS 21 -4.288 -19.812 7.434 136 HE2 LYS 21 2HE LYS 21 -6.340 -19.341 9.104 137 HE3 LYS 21 1HE LYS 21 -6.921 -18.493 7.673 138 HZ1 LYS 21 3HZ LYS 21 -5.839 -21.155 7.233 139 HZ2 LYS 21 1HZ LYS 21 -7.188 -20.406 6.540 140 HZ3 LYS 21 2HZ LYS 21 -7.299 -21.085 8.084 141 H ARG 22 H ARG 22 -2.636 -14.599 10.768 142 HA ARG 22 HA ARG 22 -4.181 -13.051 8.829 143 HB2 ARG 22 2HB ARG 22 -5.488 -14.573 10.707 144 HB3 ARG 22 1HB ARG 22 -5.373 -13.011 11.510 145 HG2 ARG 22 2HG ARG 22 -7.419 -12.966 10.385 146 HG3 ARG 22 1HG ARG 22 -6.329 -12.018 9.373 147 HD2 ARG 22 2HD ARG 22 -6.043 -13.847 7.856 148 HD3 ARG 22 1HD ARG 22 -6.920 -14.938 8.927 149 HE ARG 22 HE ARG 22 -8.564 -12.758 8.209 150 HH11 ARG 22 1HH1 ARG 22 -7.186 -15.677 6.883 151 HH12 ARG 22 2HH1 ARG 22 -8.457 -15.902 5.729 152 HH21 ARG 22 1HH2 ARG 22 -10.238 -13.052 6.693 153 HH22 ARG 22 2HH2 ARG 22 -10.191 -14.412 5.621 154 H TYR 23 H TYR 23 -2.389 -11.646 8.796 155 HA TYR 23 HA TYR 23 -2.411 -9.700 10.940 156 HB2 TYR 23 2HB TYR 23 -0.501 -11.708 11.047 157 HB3 TYR 23 1HB TYR 23 0.354 -10.371 10.286 158 HD1 TYR 23 1HD TYR 23 -0.956 -8.070 11.662 159 HD2 TYR 23 2HD TYR 23 0.449 -11.787 13.183 160 HE1 TYR 23 1HE TYR 23 -0.619 -7.034 13.866 161 HE2 TYR 23 2HE TYR 23 0.789 -10.759 15.393 162 HH TYR 23 HH TYR 23 0.038 -8.878 16.684 163 H LYS 24 H LYS 24 -3.264 -9.567 8.265 164 HA LYS 24 HA LYS 24 -1.855 -7.241 7.407 165 HB2 LYS 24 2HB LYS 24 -1.073 -8.056 5.249 166 HB3 LYS 24 1HB LYS 24 -0.315 -8.959 6.554 167 HG2 LYS 24 2HG LYS 24 -2.409 -10.557 6.085 168 HG3 LYS 24 1HG LYS 24 -2.212 -9.851 4.479 169 HD2 LYS 24 2HD LYS 24 0.235 -10.465 4.649 170 HD3 LYS 24 1HD LYS 24 -0.191 -11.400 6.084 171 HE2 LYS 24 2HE LYS 24 -1.595 -12.844 4.835 172 HE3 LYS 24 1HE LYS 24 -1.535 -11.792 3.422 173 HZ1 LYS 24 3HZ LYS 24 1.046 -12.327 3.739 174 HZ2 LYS 24 1HZ LYS 24 0.019 -13.263 2.775 175 HZ3 LYS 24 2HZ LYS 24 0.388 -13.760 4.348 176 H PHE 25 H PHE 25 -4.476 -7.621 8.101 177 HA PHE 25 HA PHE 25 -6.260 -8.225 6.049 178 HB2 PHE 25 2HB PHE 25 -6.857 -7.875 8.454 179 HB3 PHE 25 1HB PHE 25 -6.682 -6.146 8.187 180 HD1 PHE 25 1HD PHE 25 -8.281 -4.928 6.821 181 HD2 PHE 25 2HD PHE 25 -8.747 -9.085 7.599 182 HE1 PHE 25 1HE PHE 25 -10.620 -4.802 6.065 183 HE2 PHE 25 2HE PHE 25 -11.086 -8.968 6.844 184 HZ PHE 25 HZ PHE 25 -12.026 -6.825 6.076 185 H SER 26 H SER 26 -7.549 -6.839 4.702 186 HA SER 26 HA SER 26 -5.973 -4.872 3.347 187 HB2 SER 26 2HB SER 26 -7.979 -4.572 1.928 188 HB3 SER 26 1HB SER 26 -7.566 -6.277 2.113 189 HG SER 26 HG SER 26 -9.859 -5.610 2.409 190 H ALA 27 H ALA 27 -5.960 -3.989 5.794 191 HA ALA 27 HA ALA 27 -6.681 -1.387 5.818 192 HB1 ALA 27 1HB ALA 27 -8.927 -1.429 5.890 193 HB2 ALA 27 2HB ALA 27 -8.699 -1.827 7.593 194 HB3 ALA 27 3HB ALA 27 -8.978 -3.110 6.417 195 H SER 28 H SER 28 -6.174 -4.367 7.553 196 HA SER 28 HA SER 28 -5.899 -3.482 10.165 197 HB2 SER 28 2HB SER 28 -4.771 -5.722 8.581 198 HB3 SER 28 1HB SER 28 -3.946 -5.335 10.090 199 HG SER 28 HG SER 28 -5.791 -6.891 10.134 200 H GLU 29 H GLU 29 -3.565 -3.345 7.526 201 HA GLU 29 HA GLU 29 -1.325 -2.509 8.952 202 HB2 GLU 29 2HB GLU 29 -0.629 -1.428 6.774 203 HB3 GLU 29 1HB GLU 29 -1.027 -3.139 6.688 204 HG2 GLU 29 2HG GLU 29 -2.236 -2.530 4.912 205 HG3 GLU 29 1HG GLU 29 -3.427 -2.033 6.114 206 H ASP 30 H ASP 30 -3.765 -0.499 7.299 207 HA ASP 30 HA ASP 30 -2.738 1.986 8.057 208 HB2 ASP 30 2HB ASP 30 -5.242 0.968 6.919 209 HB3 ASP 30 1HB ASP 30 -5.445 2.434 7.874 210 H GLU 31 H GLU 31 -5.105 -0.107 9.633 211 HA GLU 31 HA GLU 31 -5.854 1.621 11.697 212 HB2 GLU 31 2HB GLU 31 -6.806 -0.699 11.005 213 HB3 GLU 31 1HB GLU 31 -5.608 -1.342 12.120 214 HG2 GLU 31 2HG GLU 31 -6.714 0.486 13.713 215 HG3 GLU 31 1HG GLU 31 -8.091 0.166 12.659 216 H ALA 32 H ALA 32 -3.065 -0.453 11.316 217 HA ALA 32 HA ALA 32 -2.178 -0.256 14.015 218 HB1 ALA 32 1HB ALA 32 0.039 -1.024 12.946 219 HB2 ALA 32 2HB ALA 32 -0.905 -1.175 11.464 220 HB3 ALA 32 3HB ALA 32 -1.344 -2.116 12.889 221 H ILE 33 H ILE 33 -1.560 1.564 11.065 222 HA ILE 33 HA ILE 33 0.563 3.114 12.157 223 HB ILE 33 HB ILE 33 -1.156 4.239 9.991 224 HG12 ILE 33 2HG1 ILE 33 0.739 1.899 9.682 225 HG13 ILE 33 1HG1 ILE 33 -0.980 1.928 9.311 226 HG21 ILE 33 1HG2 ILE 33 1.115 5.091 11.142 227 HG22 ILE 33 2HG2 ILE 33 0.681 5.447 9.471 228 HG23 ILE 33 3HG2 ILE 33 1.789 4.124 9.831 229 HD11 ILE 33 3HD1 ILE 33 -0.585 2.635 7.258 230 HD12 ILE 33 1HD1 ILE 33 1.136 2.409 7.570 231 HD13 ILE 33 2HD1 ILE 33 0.390 3.982 7.847 232 H ILE 34 H ILE 34 -2.934 3.571 11.949 233 HA ILE 34 HA ILE 34 -2.936 6.238 12.894 234 HB ILE 34 HB ILE 34 -5.331 5.856 13.441 235 HG12 ILE 34 2HG1 ILE 34 -4.811 3.076 12.377 236 HG13 ILE 34 1HG1 ILE 34 -5.107 3.465 14.068 237 HG21 ILE 34 1HG2 ILE 34 -5.976 5.247 11.036 238 HG22 ILE 34 2HG2 ILE 34 -4.240 5.140 10.744 239 HG23 ILE 34 3HG2 ILE 34 -4.951 6.660 11.288 240 HD11 ILE 34 3HD1 ILE 34 -7.278 4.576 12.970 241 HD12 ILE 34 1HD1 ILE 34 -7.211 2.900 13.512 242 HD13 ILE 34 2HD1 ILE 34 -6.981 3.285 11.807 243 H LYS 35 H LYS 35 -3.184 3.111 14.530 244 HA LYS 35 HA LYS 35 -3.613 4.260 17.115 245 HB2 LYS 35 2HB LYS 35 -3.257 2.018 17.976 246 HB3 LYS 35 1HB LYS 35 -4.290 1.945 16.555 247 HG2 LYS 35 2HG LYS 35 -2.419 1.224 15.197 248 HG3 LYS 35 1HG LYS 35 -1.335 1.368 16.580 249 HD2 LYS 35 2HD LYS 35 -3.660 -0.285 17.150 250 HD3 LYS 35 1HD LYS 35 -2.704 -0.905 15.803 251 HE2 LYS 35 2HE LYS 35 -1.006 -0.042 17.972 252 HE3 LYS 35 1HE LYS 35 -2.191 -1.221 18.528 253 HZ1 LYS 35 3HZ LYS 35 0.122 -1.886 17.410 254 HZ2 LYS 35 1HZ LYS 35 -0.852 -1.847 16.026 255 HZ3 LYS 35 2HZ LYS 35 -1.259 -2.857 17.319 256 H GLY 36 H GLY 36 -0.826 3.217 15.262 257 HA2 GLY 36 2HA GLY 36 1.067 3.450 17.374 258 HA3 GLY 36 1HA GLY 36 1.430 3.385 15.656 259 H LEU 37 H LEU 37 0.015 5.631 14.790 260 HA LEU 37 HA LEU 37 1.874 7.685 15.395 261 HB2 LEU 37 2HB LEU 37 -0.424 7.314 13.622 262 HB3 LEU 37 1HB LEU 37 -0.263 8.958 14.207 263 HG LEU 37 HG LEU 37 2.296 7.975 13.315 264 HD11 LEU 37 1HD1 LEU 37 0.323 6.773 11.872 265 HD12 LEU 37 2HD1 LEU 37 1.939 7.140 11.270 266 HD13 LEU 37 3HD1 LEU 37 0.605 8.245 10.942 267 HD21 LEU 37 3HD2 LEU 37 2.428 10.038 12.296 268 HD22 LEU 37 1HD2 LEU 37 1.285 10.355 13.600 269 HD23 LEU 37 2HD2 LEU 37 0.699 10.100 11.957 270 H ALA 38 H ALA 38 -1.312 6.865 16.579 271 HA ALA 38 HA ALA 38 -1.800 9.353 17.890 272 HB1 ALA 38 1HB ALA 38 -3.702 8.071 17.348 273 HB2 ALA 38 2HB ALA 38 -3.567 8.003 19.105 274 HB3 ALA 38 3HB ALA 38 -3.049 6.630 18.127 275 H ARG 39 H ARG 39 -0.004 6.505 18.702 276 HA ARG 39 HA ARG 39 0.193 7.387 21.497 277 HB2 ARG 39 2HB ARG 39 -0.182 4.847 20.384 278 HB3 ARG 39 1HB ARG 39 1.482 4.854 20.953 279 HG2 ARG 39 2HG ARG 39 0.878 4.835 23.107 280 HG3 ARG 39 1HG ARG 39 -0.444 5.977 22.851 281 HD2 ARG 39 2HD ARG 39 -1.740 4.184 23.261 282 HD3 ARG 39 1HD ARG 39 -1.412 3.804 21.572 283 HE ARG 39 HE ARG 39 0.531 2.732 23.400 284 HH11 ARG 39 1HH1 ARG 39 -2.544 2.183 21.844 285 HH12 ARG 39 2HH1 ARG 39 -2.456 0.461 21.996 286 HH21 ARG 39 1HH2 ARG 39 0.650 0.466 23.603 287 HH22 ARG 39 2HH2 ARG 39 -0.639 -0.516 22.995 288 H PHE 40 H PHE 40 2.010 6.996 18.574 289 HA PHE 40 HA PHE 40 4.476 7.685 20.031 290 HB2 PHE 40 2HB PHE 40 4.045 6.173 17.465 291 HB3 PHE 40 1HB PHE 40 5.615 6.835 17.904 292 HD1 PHE 40 1HD PHE 40 6.702 6.057 20.031 293 HD2 PHE 40 2HD PHE 40 3.282 4.150 18.366 294 HE1 PHE 40 1HE PHE 40 7.172 4.051 21.375 295 HE2 PHE 40 2HE PHE 40 3.744 2.141 19.707 296 HZ PHE 40 HZ PHE 40 5.691 2.090 21.214 297 H THR 41 H THR 41 5.275 9.647 19.743 298 HA THR 41 HA THR 41 5.092 10.997 17.199 299 HB THR 41 HB THR 41 4.199 13.076 18.648 300 HG1 THR 41 1HG THR 41 3.844 11.943 20.532 301 HG21 THR 41 3HG2 THR 41 1.795 11.983 17.997 302 HG22 THR 41 1HG2 THR 41 2.891 11.136 16.908 303 HG23 THR 41 2HG2 THR 41 2.832 12.897 16.900 304 H LYS 42 H LYS 42 7.376 10.785 17.378 305 HA LYS 42 HA LYS 42 8.802 11.970 19.558 306 HB2 LYS 42 2HB LYS 42 10.801 11.614 18.066 307 HB3 LYS 42 1HB LYS 42 9.871 10.166 18.434 308 HG2 LYS 42 2HG LYS 42 9.450 9.786 16.288 309 HG3 LYS 42 1HG LYS 42 8.923 11.449 16.023 310 HD2 LYS 42 2HD LYS 42 11.836 10.826 16.285 311 HD3 LYS 42 1HD LYS 42 11.007 10.536 14.755 312 HE2 LYS 42 2HE LYS 42 11.643 12.682 14.380 313 HE3 LYS 42 1HE LYS 42 10.132 13.008 15.229 314 HZ1 LYS 42 3HZ LYS 42 12.662 12.767 16.722 315 HZ2 LYS 42 1HZ LYS 42 11.240 13.576 17.158 316 HZ3 LYS 42 2HZ LYS 42 12.250 14.224 15.967 317 H GLY 43 H GLY 43 7.766 13.024 16.375 318 HA2 GLY 43 2HA GLY 43 7.471 15.606 16.587 319 HA3 GLY 43 1HA GLY 43 9.222 15.551 16.711 320 H GLN 44 H GLN 44 6.470 14.997 14.608 321 HA GLN 44 HA GLN 44 6.251 14.906 12.345 322 HB2 GLN 44 2HB GLN 44 7.699 17.120 12.901 323 HB3 GLN 44 1HB GLN 44 8.822 16.279 11.841 324 HG2 GLN 44 2HG GLN 44 7.150 16.183 10.095 325 HG3 GLN 44 1HG GLN 44 5.964 16.938 11.160 326 HE21 GLN 44 1HE2 GLN 44 8.887 17.423 9.319 327 HE22 GLN 44 2HE2 GLN 44 8.815 19.149 9.282 328 H GLN 45 H GLN 45 7.149 12.573 13.214 329 HA GLN 45 HA GLN 45 8.432 11.449 10.991 330 HB2 GLN 45 2HB GLN 45 10.216 12.513 12.994 331 HB3 GLN 45 1HB GLN 45 10.405 10.770 12.882 332 HG2 GLN 45 2HG GLN 45 10.556 12.673 10.557 333 HG3 GLN 45 1HG GLN 45 11.943 12.002 11.414 334 HE21 GLN 45 1HE2 GLN 45 12.556 11.195 9.309 335 HE22 GLN 45 2HE2 GLN 45 11.875 9.715 8.733 336 H ARG 46 H ARG 46 6.160 10.960 12.592 337 HA ARG 46 HA ARG 46 6.744 8.596 14.177 338 HB2 ARG 46 2HB ARG 46 3.919 9.183 13.644 339 HB3 ARG 46 1HB ARG 46 4.745 8.923 15.172 340 HG2 ARG 46 2HG ARG 46 4.168 11.087 15.467 341 HG3 ARG 46 1HG ARG 46 5.692 11.351 14.617 342 HD2 ARG 46 2HD ARG 46 4.208 11.256 12.484 343 HD3 ARG 46 1HD ARG 46 2.888 11.586 13.603 344 HE ARG 46 HE ARG 46 5.071 13.384 12.894 345 HH11 ARG 46 1HH1 ARG 46 2.221 12.789 14.828 346 HH12 ARG 46 2HH1 ARG 46 2.005 14.456 15.240 347 HH21 ARG 46 1HH2 ARG 46 4.783 15.573 13.444 348 HH22 ARG 46 2HH2 ARG 46 3.455 16.033 14.455 349 H PHE 47 H PHE 47 5.524 9.421 11.029 350 HA PHE 47 HA PHE 47 4.179 7.075 10.359 351 HB2 PHE 47 2HB PHE 47 5.819 8.743 8.455 352 HB3 PHE 47 1HB PHE 47 4.416 7.752 8.071 353 HD1 PHE 47 2HD PHE 47 2.278 8.415 9.592 354 HD2 PHE 47 1HD PHE 47 5.478 10.999 8.500 355 HE1 PHE 47 2HE PHE 47 0.814 10.364 9.931 356 HE2 PHE 47 1HE PHE 47 4.022 12.952 8.837 357 HZ PHE 47 HZ PHE 47 1.686 12.637 9.552 358 H GLN 48 H GLN 48 7.620 7.885 9.927 359 HA GLN 48 HA GLN 48 8.279 5.404 8.706 360 HB2 GLN 48 2HB GLN 48 10.065 7.398 10.112 361 HB3 GLN 48 1HB GLN 48 10.620 6.075 9.098 362 HG2 GLN 48 2HG GLN 48 8.925 7.312 7.404 363 HG3 GLN 48 1HG GLN 48 9.488 8.681 8.362 364 HE21 GLN 48 1HE2 GLN 48 10.380 9.326 6.257 365 HE22 GLN 48 2HE2 GLN 48 11.941 8.735 5.810 366 H GLN 49 H GLN 49 8.926 6.671 11.975 367 HA GLN 49 HA GLN 49 10.077 4.365 13.029 368 HB2 GLN 49 2HB GLN 49 9.294 6.900 13.987 369 HB3 GLN 49 1HB GLN 49 8.532 5.719 15.044 370 HG2 GLN 49 2HG GLN 49 10.462 5.190 16.017 371 HG3 GLN 49 1HG GLN 49 11.312 5.092 14.476 372 HE21 GLN 49 1HE2 GLN 49 10.733 6.932 17.274 373 HE22 GLN 49 2HE2 GLN 49 11.680 8.313 16.850 374 H ILE 50 H ILE 50 6.670 5.370 12.975 375 HA ILE 50 HA ILE 50 5.687 3.222 14.489 376 HB ILE 50 HB ILE 50 4.450 5.359 13.836 377 HG12 ILE 50 2HG1 ILE 50 3.468 3.441 15.072 378 HG13 ILE 50 1HG1 ILE 50 2.295 4.306 14.086 379 HG21 ILE 50 1HG2 ILE 50 4.724 5.265 11.443 380 HG22 ILE 50 2HG2 ILE 50 3.012 5.193 11.843 381 HG23 ILE 50 3HG2 ILE 50 3.869 3.727 11.371 382 HD11 ILE 50 3HD1 ILE 50 3.296 1.549 13.867 383 HD12 ILE 50 1HD1 ILE 50 3.032 2.405 12.348 384 HD13 ILE 50 2HD1 ILE 50 1.708 2.220 13.497 385 H TYR 51 H TYR 51 6.219 3.591 11.016 386 HA TYR 51 HA TYR 51 5.003 1.241 10.151 387 HB2 TYR 51 2HB TYR 51 5.823 2.973 8.603 388 HB3 TYR 51 1HB TYR 51 7.480 2.533 9.004 389 HD1 TYR 51 1HD TYR 51 4.376 1.323 7.394 390 HD2 TYR 51 2HD TYR 51 8.537 0.662 7.990 391 HE1 TYR 51 1HE TYR 51 4.349 -0.392 5.633 392 HE2 TYR 51 2HE TYR 51 8.520 -1.054 6.227 393 HH TYR 51 HH TYR 51 6.766 -1.413 4.023 394 H TYR 52 H TYR 52 8.261 1.802 11.364 395 HA TYR 52 HA TYR 52 9.232 -0.802 10.889 396 HB2 TYR 52 2HB TYR 52 10.103 1.296 12.878 397 HB3 TYR 52 1HB TYR 52 10.983 -0.200 12.582 398 HD1 TYR 52 2HD TYR 52 10.872 -0.454 9.676 399 HD2 TYR 52 1HD TYR 52 11.442 3.011 12.076 400 HE1 TYR 52 2HE TYR 52 12.085 0.619 7.827 401 HE2 TYR 52 1HE TYR 52 12.655 4.095 10.233 402 HH TYR 52 HH TYR 52 13.871 3.514 8.235 403 H ALA 53 H ALA 53 7.712 0.654 13.734 404 HA ALA 53 HA ALA 53 8.037 -1.603 15.406 405 HB1 ALA 53 1HB ALA 53 6.534 -0.538 16.912 406 HB2 ALA 53 2HB ALA 53 5.849 0.451 15.624 407 HB3 ALA 53 3HB ALA 53 7.504 0.730 16.162 408 H TYR 54 H TYR 54 5.211 -0.456 13.583 409 HA TYR 54 HA TYR 54 3.781 -2.901 14.098 410 HB2 TYR 54 2HB TYR 54 1.941 -1.764 13.499 411 HB3 TYR 54 1HB TYR 54 2.977 -0.346 13.550 412 HD1 TYR 54 1HD TYR 54 1.239 -2.729 11.373 413 HD2 TYR 54 2HD TYR 54 3.687 0.743 11.508 414 HE1 TYR 54 1HE TYR 54 0.721 -2.280 9.011 415 HE2 TYR 54 2HE TYR 54 3.180 1.202 9.146 416 HH TYR 54 HH TYR 54 2.444 -0.280 7.101 417 H ARG 55 H ARG 55 6.325 -2.394 12.165 418 HA ARG 55 HA ARG 55 5.655 -3.230 9.621 419 HB2 ARG 55 2HB ARG 55 7.907 -2.468 10.329 420 HB3 ARG 55 1HB ARG 55 8.142 -4.001 11.155 421 HG2 ARG 55 2HG ARG 55 7.383 -4.631 8.525 422 HG3 ARG 55 1HG ARG 55 8.576 -3.336 8.408 423 HD2 ARG 55 2HD ARG 55 9.973 -5.138 8.459 424 HD3 ARG 55 1HD ARG 55 9.843 -4.819 10.186 425 HE ARG 55 HE ARG 55 8.547 -6.998 8.714 426 HH11 ARG 55 1HH1 ARG 55 9.286 -5.457 11.766 427 HH12 ARG 55 2HH1 ARG 55 8.795 -6.820 12.709 428 HH21 ARG 55 1HH2 ARG 55 7.904 -8.782 9.962 429 HH22 ARG 55 2HH2 ARG 55 8.010 -8.705 11.688 430 H SER 56 H SER 56 5.691 -5.059 12.559 431 HA SER 56 HA SER 56 6.009 -7.652 11.572 432 HB2 SER 56 2HB SER 56 5.836 -6.814 14.021 433 HB3 SER 56 1HB SER 56 4.098 -7.016 13.808 434 HG SER 56 HG SER 56 4.437 -9.193 13.377 435 H VAL 57 H VAL 57 3.325 -5.458 11.392 436 HA VAL 57 HA VAL 57 1.351 -7.434 10.747 437 HB VAL 57 HB VAL 57 1.233 -4.464 10.206 438 HG11 VAL 57 1HG1 VAL 57 -0.582 -5.255 9.083 439 HG12 VAL 57 2HG1 VAL 57 -1.286 -5.144 10.697 440 HG13 VAL 57 3HG1 VAL 57 -0.715 -6.698 10.090 441 HG21 VAL 57 3HG2 VAL 57 1.653 -4.607 12.509 442 HG22 VAL 57 1HG2 VAL 57 0.645 -6.043 12.692 443 HG23 VAL 57 2HG2 VAL 57 -0.101 -4.476 12.383 444 H TRP 58 H TRP 58 2.537 -4.714 8.758 445 HA TRP 58 HA TRP 58 1.757 -5.985 6.338 446 HB2 TRP 58 2HB TRP 58 2.756 -3.409 7.143 447 HB3 TRP 58 1HB TRP 58 3.651 -3.974 5.739 448 HD1 TRP 58 HD TRP 58 1.486 -1.520 5.832 449 HE1 TRP 58 1HE TRP 58 -0.430 -1.549 4.119 450 HE3 TRP 58 3HE TRP 58 1.539 -6.491 4.624 451 HZ2 TRP 58 2HZ TRP 58 -1.744 -3.421 2.472 452 HZ3 TRP 58 3HZ TRP 58 -0.080 -7.317 2.968 453 HH2 TRP 58 HH TRP 58 -1.688 -5.813 1.916 454 H HIS 59 H HIS 59 3.591 -5.914 4.491 455 HA HIS 59 HA HIS 59 6.205 -6.698 5.207 456 HB2 HIS 59 2HB HIS 59 4.703 -8.705 5.909 457 HB3 HIS 59 1HB HIS 59 4.636 -9.041 4.182 458 HD1 HIS 59 1HD HIS 59 6.018 -10.917 6.293 459 HD2 HIS 59 2HD HIS 59 7.961 -8.153 3.875 460 HE1 HIS 59 1HE HIS 59 8.395 -11.720 6.130 461 HE2 HIS 59 2HE HIS 59 9.573 -9.978 4.743 462 HA PRO 60 HA PRO 60 5.306 -5.862 0.679 463 HB2 PRO 60 2HB PRO 60 6.007 -3.290 0.487 464 HB3 PRO 60 1HB PRO 60 4.405 -3.759 1.070 465 HG2 PRO 60 2HG PRO 60 6.809 -2.893 2.626 466 HG3 PRO 60 1HG PRO 60 5.109 -2.451 2.856 467 HD2 PRO 60 2HD PRO 60 6.431 -4.383 4.313 468 HD3 PRO 60 1HD PRO 60 4.673 -4.323 4.089 469 H ALA 61 H ALA 61 7.043 -4.388 -0.765 470 HA ALA 61 HA ALA 61 9.460 -5.899 -0.600 471 HB1 ALA 61 1HB ALA 61 9.098 -5.440 -2.784 472 HB2 ALA 61 2HB ALA 61 10.068 -4.014 -2.414 473 HB3 ALA 61 3HB ALA 61 8.308 -3.901 -2.442 474 H ARG 62 H ARG 62 9.176 -2.357 -0.809 475 HA ARG 62 HA ARG 62 11.599 -2.073 0.767 476 HB2 ARG 62 2HB ARG 62 9.862 0.051 -0.505 477 HB3 ARG 62 1HB ARG 62 11.460 0.296 0.186 478 HG2 ARG 62 2HG ARG 62 12.508 -0.474 -1.639 479 HG3 ARG 62 1HG ARG 62 11.332 -1.763 -1.897 480 HD2 ARG 62 2HD ARG 62 9.977 -0.455 -3.192 481 HD3 ARG 62 1HD ARG 62 10.460 1.035 -2.383 482 HE ARG 62 HE ARG 62 12.048 1.314 -3.989 483 HH11 ARG 62 1HH1 ARG 62 11.201 -2.069 -3.876 484 HH12 ARG 62 2HH1 ARG 62 12.199 -2.493 -5.228 485 HH21 ARG 62 1HH2 ARG 62 13.358 0.759 -5.768 486 HH22 ARG 62 2HH2 ARG 62 13.424 -0.887 -6.301 487 H THR 63 H THR 63 11.637 -0.357 2.493 488 HA THR 63 HA THR 63 9.146 -0.445 4.065 489 HB THR 63 HB THR 63 10.719 -1.841 5.182 490 HG1 THR 63 1HG THR 63 10.362 -0.917 7.019 491 HG21 THR 63 3HG2 THR 63 12.895 -0.478 5.986 492 HG22 THR 63 1HG2 THR 63 12.682 0.182 4.365 493 HG23 THR 63 2HG2 THR 63 12.861 -1.557 4.592 494 H VAL 64 H VAL 64 8.653 1.358 5.362 495 HA VAL 64 HA VAL 64 8.544 3.548 5.942 496 HB VAL 64 HB VAL 64 11.348 3.201 5.428 497 HG11 VAL 64 1HG1 VAL 64 11.916 5.582 4.970 498 HG12 VAL 64 2HG1 VAL 64 10.223 5.864 4.569 499 HG13 VAL 64 3HG1 VAL 64 11.187 4.746 3.601 500 HG21 VAL 64 3HG2 VAL 64 10.079 5.396 7.031 501 HG22 VAL 64 1HG2 VAL 64 11.589 4.538 7.331 502 HG23 VAL 64 2HG2 VAL 64 10.047 3.715 7.565 503 H SER 65 H SER 65 10.022 3.172 2.731 504 HA SER 65 HA SER 65 8.800 5.436 1.588 505 HB2 SER 65 2HB SER 65 10.722 3.743 0.742 506 HB3 SER 65 1HB SER 65 9.353 3.100 -0.164 507 HG SER 65 HG SER 65 9.010 5.404 -0.775 508 H GLN 66 H GLN 66 7.776 2.124 2.056 509 HA GLN 66 HA GLN 66 5.511 2.211 0.343 510 HB2 GLN 66 2HB GLN 66 6.796 0.228 1.677 511 HB3 GLN 66 1HB GLN 66 5.396 0.452 2.718 512 HG2 GLN 66 2HG GLN 66 4.765 -1.217 1.220 513 HG3 GLN 66 1HG GLN 66 3.994 0.245 0.607 514 HE21 GLN 66 1HE2 GLN 66 4.378 0.847 -1.423 515 HE22 GLN 66 2HE2 GLN 66 5.546 0.127 -2.472 516 H LEU 67 H LEU 67 6.107 3.115 3.666 517 HA LEU 67 HA LEU 67 3.409 3.379 4.481 518 HB2 LEU 67 2HB LEU 67 5.462 3.262 5.962 519 HB3 LEU 67 1HB LEU 67 5.791 4.921 5.513 520 HG LEU 67 HG LEU 67 4.782 5.075 7.611 521 HD11 LEU 67 1HD1 LEU 67 2.758 6.258 7.281 522 HD12 LEU 67 2HD1 LEU 67 2.424 5.403 5.775 523 HD13 LEU 67 3HD1 LEU 67 3.763 6.549 5.862 524 HD21 LEU 67 3HD2 LEU 67 3.928 3.056 8.208 525 HD22 LEU 67 1HD2 LEU 67 3.116 2.814 6.659 526 HD23 LEU 67 2HD2 LEU 67 2.429 3.912 7.857 527 H TYR 68 H TYR 68 5.789 5.734 3.356 528 HA TYR 68 HA TYR 68 4.051 7.946 3.370 529 HB2 TYR 68 2HB TYR 68 6.602 7.361 1.876 530 HB3 TYR 68 1HB TYR 68 5.742 8.886 1.691 531 HD1 TYR 68 2HD TYR 68 5.657 7.293 4.970 532 HD2 TYR 68 1HD TYR 68 7.778 10.038 2.492 533 HE1 TYR 68 2HE TYR 68 6.814 8.184 6.945 534 HE2 TYR 68 1HE TYR 68 8.932 10.933 4.467 535 HH TYR 68 HH TYR 68 7.947 10.277 7.630 536 H ASP 69 H ASP 69 4.558 5.338 1.149 537 HA ASP 69 HA ASP 69 3.391 6.497 -1.136 538 HB2 ASP 69 2HB ASP 69 4.808 4.428 -1.115 539 HB3 ASP 69 1HB ASP 69 3.453 3.569 -0.383 540 H HIS 70 H HIS 70 2.028 4.362 1.360 541 HA HIS 70 HA HIS 70 -0.609 4.714 0.228 542 HB2 HIS 70 2HB HIS 70 -1.397 3.243 2.002 543 HB3 HIS 70 1HB HIS 70 0.000 2.544 1.194 544 HD1 HIS 70 1HD HIS 70 1.230 1.284 2.890 545 HD2 HIS 70 2HD HIS 70 -0.085 4.946 4.344 546 HE1 HIS 70 1HE HIS 70 2.178 1.463 5.203 547 HE2 HIS 70 2HE HIS 70 1.465 3.737 6.017 548 H TRP 71 H TRP 71 1.370 6.213 2.576 549 HA TRP 71 HA TRP 71 -0.797 7.460 4.010 550 HB2 TRP 71 2HB TRP 71 1.478 6.953 5.010 551 HB3 TRP 71 1HB TRP 71 2.118 8.267 4.027 552 HD1 TRP 71 HD TRP 71 2.296 10.461 5.310 553 HE1 TRP 71 1HE TRP 71 1.061 11.563 7.281 554 HE3 TRP 71 3HE TRP 71 -1.217 6.853 6.187 555 HZ2 TRP 71 2HZ TRP 71 -1.114 10.979 8.984 556 HZ3 TRP 71 3HZ TRP 71 -2.838 7.201 8.006 557 HH2 TRP 71 HH TRP 71 -2.785 9.223 9.375 558 H ARG 72 H ARG 72 1.278 8.160 1.276 559 HA ARG 72 HA ARG 72 0.560 10.944 1.149 560 HB2 ARG 72 2HB ARG 72 2.694 10.124 0.226 561 HB3 ARG 72 1HB ARG 72 1.811 9.156 -0.946 562 HG2 ARG 72 2HG ARG 72 0.947 11.135 -2.006 563 HG3 ARG 72 1HG ARG 72 1.676 12.157 -0.766 564 HD2 ARG 72 2HD ARG 72 3.022 10.566 -2.924 565 HD3 ARG 72 1HD ARG 72 3.141 12.292 -2.592 566 HE ARG 72 HE ARG 72 4.684 10.195 -1.402 567 HH11 ARG 72 1HH1 ARG 72 3.392 13.395 -0.885 568 HH12 ARG 72 2HH1 ARG 72 4.600 13.831 0.276 569 HH21 ARG 72 1HH2 ARG 72 6.273 10.765 0.125 570 HH22 ARG 72 2HH2 ARG 72 6.237 12.339 0.850 571 H GLY 73 H GLY 73 -0.341 7.995 -0.578 572 HA2 GLY 73 2HA GLY 73 -2.214 9.236 -2.312 573 HA3 GLY 73 1HA GLY 73 -2.118 7.517 -1.954 574 H THR 74 H THR 74 -2.440 7.943 0.939 575 HA THR 74 HA THR 74 -5.326 8.018 0.954 576 HB THR 74 HB THR 74 -3.329 7.582 3.184 577 HG1 THR 74 1HG THR 74 -3.580 5.499 2.779 578 HG21 THR 74 3HG2 THR 74 -5.342 8.318 4.220 579 HG22 THR 74 1HG2 THR 74 -5.249 6.564 4.391 580 HG23 THR 74 2HG2 THR 74 -6.319 7.276 3.184 581 H LEU 75 H LEU 75 -2.702 10.137 1.845 582 HA LEU 75 HA LEU 75 -4.621 12.259 2.345 583 HB2 LEU 75 2HB LEU 75 -3.870 10.931 4.520 584 HB3 LEU 75 1HB LEU 75 -2.483 11.997 4.397 585 HG LEU 75 HG LEU 75 -5.102 13.335 4.191 586 HD11 LEU 75 1HD1 LEU 75 -5.910 12.955 6.269 587 HD12 LEU 75 2HD1 LEU 75 -4.313 12.671 6.961 588 HD13 LEU 75 3HD1 LEU 75 -5.109 11.401 6.033 589 HD21 LEU 75 3HD2 LEU 75 -2.551 14.154 4.497 590 HD22 LEU 75 1HD2 LEU 75 -3.075 14.114 6.181 591 HD23 LEU 75 2HD2 LEU 75 -3.953 15.095 5.007 592 H ARG 76 H ARG 76 -3.454 12.630 0.204 593 HA ARG 76 HA ARG 76 -0.746 13.578 0.329 594 HB2 ARG 76 2HB ARG 76 -1.098 14.242 -2.014 595 HB3 ARG 76 1HB ARG 76 -1.594 12.582 -1.729 596 HG2 ARG 76 2HG ARG 76 -3.950 13.698 -1.371 597 HG3 ARG 76 1HG ARG 76 -3.236 14.973 -2.361 598 HD2 ARG 76 2HD ARG 76 -2.518 12.776 -3.768 599 HD3 ARG 76 1HD ARG 76 -4.052 12.239 -3.084 600 HE ARG 76 HE ARG 76 -4.267 14.833 -4.235 601 HH11 ARG 76 1HH1 ARG 76 -4.146 11.436 -5.026 602 HH12 ARG 76 2HH1 ARG 76 -5.036 11.620 -6.501 603 HH21 ARG 76 1HH2 ARG 76 -5.437 15.076 -6.175 604 HH22 ARG 76 2HH2 ARG 76 -5.768 13.686 -7.153 605 H TYR 77 H TYR 77 -3.942 15.089 0.054 606 HA TYR 77 HA TYR 77 -2.723 17.731 0.372 607 HB2 TYR 77 2HB TYR 77 -5.115 16.708 -0.918 608 HB3 TYR 77 1HB TYR 77 -5.491 18.053 0.151 609 HD1 TYR 77 2HD TYR 77 -2.718 17.250 -2.233 610 HD2 TYR 77 1HD TYR 77 -5.646 20.061 -0.959 611 HE1 TYR 77 2HE TYR 77 -1.945 18.826 -3.956 612 HE2 TYR 77 1HE TYR 77 -4.883 21.644 -2.679 613 HH TYR 77 HH TYR 77 -2.733 20.736 -5.191 614 H LYS 78 H LYS 78 -4.722 19.135 1.591 615 HA LYS 78 HA LYS 78 -5.653 19.674 3.599 616 HB2 LYS 78 2HB LYS 78 -5.416 16.778 4.407 617 HB3 LYS 78 1HB LYS 78 -6.542 17.983 5.017 618 HG2 LYS 78 2HG LYS 78 -7.624 18.050 2.803 619 HG3 LYS 78 1HG LYS 78 -6.534 16.773 2.261 620 HD2 LYS 78 2HD LYS 78 -8.083 15.334 2.981 621 HD3 LYS 78 1HD LYS 78 -7.582 15.773 4.614 622 HE2 LYS 78 2HE LYS 78 -9.689 17.280 3.081 623 HE3 LYS 78 1HE LYS 78 -10.061 15.910 4.128 624 HZ1 LYS 78 3HZ LYS 78 -9.272 17.077 6.007 625 HZ2 LYS 78 1HZ LYS 78 -10.274 18.156 5.175 626 HZ3 LYS 78 2HZ LYS 78 -8.594 18.307 5.067 627 H VAL 79 H VAL 79 -3.007 20.142 3.303 628 HA VAL 79 HA VAL 79 -1.710 19.206 5.762 629 HB VAL 79 HB VAL 79 0.334 20.331 4.772 630 HG11 VAL 79 1HG1 VAL 79 0.571 18.099 4.525 631 HG12 VAL 79 2HG1 VAL 79 0.328 18.481 2.821 632 HG13 VAL 79 3HG1 VAL 79 -1.022 17.901 3.796 633 HG21 VAL 79 3HG2 VAL 79 -1.031 21.751 3.198 634 HG22 VAL 79 1HG2 VAL 79 -1.259 20.302 2.218 635 HG23 VAL 79 2HG2 VAL 79 0.363 20.943 2.481 636 H ILE 80 H ILE 80 -0.431 20.819 6.990 637 HA ILE 80 HA ILE 80 -0.259 22.734 8.209 638 HB ILE 80 HB ILE 80 -1.598 24.116 5.884 639 HG12 ILE 80 2HG1 ILE 80 1.341 24.232 6.166 640 HG13 ILE 80 1HG1 ILE 80 0.696 22.667 5.680 641 HG21 ILE 80 1HG2 ILE 80 0.256 25.166 8.018 642 HG22 ILE 80 2HG2 ILE 80 -1.488 25.422 7.954 643 HG23 ILE 80 3HG2 ILE 80 -0.450 26.100 6.698 644 HD11 ILE 80 3HD1 ILE 80 1.367 24.222 3.823 645 HD12 ILE 80 1HD1 ILE 80 -0.009 25.224 4.277 646 HD13 ILE 80 2HD1 ILE 80 -0.268 23.569 3.727 647 H GLN 81 H GLN 81 -1.451 23.181 9.936 648 HA GLN 81 HA GLN 81 -4.312 22.803 9.868 649 HB2 GLN 81 2HB GLN 81 -2.306 23.357 12.033 650 HB3 GLN 81 1HB GLN 81 -4.028 23.494 12.356 651 HG2 GLN 81 2HG GLN 81 -3.133 21.007 11.046 652 HG3 GLN 81 1HG GLN 81 -2.633 21.246 12.720 653 HE21 GLN 81 1HE2 GLN 81 -3.957 19.390 13.174 654 HE22 GLN 81 2HE2 GLN 81 -5.663 19.580 13.375 655 H GLN 82 H GLN 82 -2.077 25.462 9.872 656 HA GLN 82 HA GLN 82 -2.362 27.706 9.654 657 HB2 GLN 82 2HB GLN 82 -4.084 26.822 7.945 658 HB3 GLN 82 1HB GLN 82 -5.292 27.248 9.150 659 HG2 GLN 82 2HG GLN 82 -4.223 29.568 9.133 660 HG3 GLN 82 1HG GLN 82 -3.427 29.048 7.649 661 HE21 GLN 82 1HE2 GLN 82 -5.860 30.834 8.661 662 HE22 GLN 82 2HE2 GLN 82 -7.012 30.587 7.398 663 H GLN 83 H GLN 83 -2.922 26.253 12.220 664 HA GLN 83 HA GLN 83 -3.630 26.693 14.338 665 HB2 GLN 83 2HB GLN 83 -2.412 28.961 13.362 666 HB3 GLN 83 1HB GLN 83 -3.945 29.583 13.958 667 HG2 GLN 83 2HG GLN 83 -2.043 27.906 15.577 668 HG3 GLN 83 1HG GLN 83 -2.112 29.668 15.615 669 HE21 GLN 83 1HE2 GLN 83 -3.436 26.759 16.776 670 HE22 GLN 83 2HE2 GLN 83 -4.693 27.441 17.745 671 H GLY 84 H GLY 84 -5.662 25.713 14.204 672 HA2 GLY 84 2HA GLY 84 -7.931 27.468 13.555 673 HA3 GLY 84 1HA GLY 84 -7.986 25.713 13.628 674 H TYR 85 H TYR 85 -9.669 27.749 14.949 675 HA TYR 85 HA TYR 85 -9.791 26.515 17.518 676 HB2 TYR 85 2HB TYR 85 -7.982 28.541 17.458 677 HB3 TYR 85 1HB TYR 85 -9.443 29.427 17.882 678 HD1 TYR 85 2HD TYR 85 -8.117 26.063 18.846 679 HD2 TYR 85 1HD TYR 85 -9.464 29.885 20.142 680 HE1 TYR 85 2HE TYR 85 -7.857 25.355 21.187 681 HE2 TYR 85 1HE TYR 85 -9.207 29.188 22.485 682 HH TYR 85 HH TYR 85 -8.948 26.090 23.465 683 H ARG 86 H ARG 86 -11.656 27.173 18.740 684 HA ARG 86 HA ARG 86 -13.491 29.078 17.592 685 HB2 ARG 86 2HB ARG 86 -13.773 26.181 17.135 686 HB3 ARG 86 1HB ARG 86 -15.227 26.979 17.720 687 HG2 ARG 86 2HG ARG 86 -15.522 28.151 15.807 688 HG3 ARG 86 1HG ARG 86 -13.791 28.287 15.491 689 HD2 ARG 86 2HD ARG 86 -15.130 25.623 15.310 690 HD3 ARG 86 1HD ARG 86 -15.288 26.772 13.982 691 HE ARG 86 HE ARG 86 -12.574 26.350 14.833 692 HH11 ARG 86 1HH1 ARG 86 -15.139 25.192 12.769 693 HH12 ARG 86 2HH1 ARG 86 -14.063 24.418 11.655 694 HH21 ARG 86 1HH2 ARG 86 -11.156 25.333 13.369 695 HH22 ARG 86 2HH2 ARG 86 -11.801 24.496 11.996 696 H GLY 87 H GLY 87 -14.878 29.879 19.090 697 HA2 GLY 87 2HA GLY 87 -15.833 28.504 21.350 698 HA3 GLY 87 1HA GLY 87 -14.400 29.411 21.815 699 H LYS 88 H LYS 88 -15.060 31.141 22.907 700 HA LYS 88 HA LYS 88 -16.082 33.108 23.413 701 HB2 LYS 88 2HB LYS 88 -15.733 33.130 20.617 702 HB3 LYS 88 1HB LYS 88 -17.363 33.722 20.906 703 HG2 LYS 88 2HG LYS 88 -14.830 34.824 22.105 704 HG3 LYS 88 1HG LYS 88 -15.790 35.557 20.820 705 HD2 LYS 88 2HD LYS 88 -17.347 36.337 22.255 706 HD3 LYS 88 1HD LYS 88 -17.270 34.901 23.279 707 HE2 LYS 88 2HE LYS 88 -14.848 35.971 23.776 708 HE3 LYS 88 1HE LYS 88 -15.769 37.437 23.441 709 HZ1 LYS 88 3HZ LYS 88 -15.655 36.298 25.834 710 HZ2 LYS 88 1HZ LYS 88 -17.029 35.520 25.224 711 HZ3 LYS 88 2HZ LYS 88 -16.980 37.209 25.310 712 H ASN 89 H ASN 89 -17.859 33.268 24.598 713 HA ASN 89 HA ASN 89 -20.423 32.404 23.483 714 HB2 ASN 89 2HB ASN 89 -19.317 30.568 24.910 715 HB3 ASN 89 1HB ASN 89 -19.652 31.615 26.286 716 HD21 ASN 89 1HD2 ASN 89 -21.426 30.626 23.372 717 HD22 ASN 89 2HD2 ASN 89 -22.860 30.143 24.206 718 H SER 90 H SER 90 -22.155 33.597 24.148 719 HA SER 90 HA SER 90 -21.966 35.354 26.435 720 HB2 SER 90 2HB SER 90 -20.844 36.659 24.648 721 HB3 SER 90 1HB SER 90 -22.305 36.536 23.668 722 HG SER 90 HG SER 90 -21.794 38.074 25.927 723 H VAL 91 H VAL 91 -23.777 34.396 27.272 724 HA VAL 91 HA VAL 91 -26.291 35.049 25.919 725 HB VAL 91 HB VAL 91 -25.813 32.342 27.164 726 HG11 VAL 91 1HG1 VAL 91 -28.129 33.146 27.220 727 HG12 VAL 91 2HG1 VAL 91 -27.943 31.761 26.142 728 HG13 VAL 91 3HG1 VAL 91 -28.083 33.387 25.473 729 HG21 VAL 91 3HG2 VAL 91 -25.654 31.411 24.974 730 HG22 VAL 91 1HG2 VAL 91 -24.485 32.727 25.074 731 HG23 VAL 91 2HG2 VAL 91 -26.011 32.967 24.223 732 H ALA 92 H ALA 92 -26.555 36.693 27.466 733 HA ALA 92 HA ALA 92 -27.802 35.822 29.901 734 HB1 ALA 92 1HB ALA 92 -25.553 35.731 30.705 735 HB2 ALA 92 2HB ALA 92 -26.316 37.164 31.391 736 HB3 ALA 92 3HB ALA 92 -25.194 37.324 30.041 737 H ALA 93 H ALA 93 -29.560 37.046 29.948 738 HA ALA 93 HA ALA 93 -29.360 39.847 29.061 739 HB1 ALA 93 1HB ALA 93 -32.000 39.423 28.995 740 HB2 ALA 93 2HB ALA 93 -31.440 37.775 28.715 741 HB3 ALA 93 3HB ALA 93 -30.937 39.072 27.631 742 H ARG 94 H ARG 94 -30.494 37.700 31.588 743 HA ARG 94 HA ARG 94 -30.676 39.976 33.398 744 HB2 ARG 94 2HB ARG 94 -32.979 39.104 32.280 745 HB3 ARG 94 1HB ARG 94 -32.894 38.037 33.675 746 HG2 ARG 94 2HG ARG 94 -34.153 39.870 34.390 747 HG3 ARG 94 1HG ARG 94 -32.543 40.137 35.064 748 HD2 ARG 94 2HD ARG 94 -32.300 42.045 33.938 749 HD3 ARG 94 1HD ARG 94 -32.795 41.291 32.423 750 HE ARG 94 HE ARG 94 -34.424 42.864 34.193 751 HH11 ARG 94 1HH1 ARG 94 -34.443 40.408 31.714 752 HH12 ARG 94 2HH1 ARG 94 -36.070 40.741 31.222 753 HH21 ARG 94 1HH2 ARG 94 -36.563 43.302 33.548 754 HH22 ARG 94 2HH2 ARG 94 -37.273 42.385 32.263 755 H SER 95 H SER 95 -29.782 39.527 35.307 756 HA SER 95 HA SER 95 -28.774 38.391 36.998 757 HB2 SER 95 2HB SER 95 -31.128 36.721 36.310 758 HB3 SER 95 1HB SER 95 -29.885 35.954 37.297 759 HG SER 95 HG SER 95 -30.108 37.642 38.791 760 HA PRO 96 HA PRO 96 -26.146 36.228 33.757 761 HB2 PRO 96 2HB PRO 96 -24.128 37.553 35.502 762 HB3 PRO 96 1HB PRO 96 -24.187 37.431 33.739 763 HG2 PRO 96 2HG PRO 96 -24.804 39.714 34.962 764 HG3 PRO 96 1HG PRO 96 -25.708 39.170 33.537 765 HD2 PRO 96 2HD PRO 96 -26.489 39.105 36.418 766 HD3 PRO 96 1HD PRO 96 -27.490 39.409 34.983 767 H GLU 97 H GLU 97 -26.078 36.441 37.260 768 HA GLU 97 HA GLU 97 -24.510 34.000 37.492 769 HB2 GLU 97 2HB GLU 97 -24.611 36.229 39.042 770 HB3 GLU 97 1HB GLU 97 -25.712 35.176 39.918 771 HG2 GLU 97 2HG GLU 97 -23.967 33.467 40.049 772 HG3 GLU 97 1HG GLU 97 -22.864 34.535 39.185 773 H LYS 98 H LYS 98 -25.910 32.445 36.647 774 HA LYS 98 HA LYS 98 -27.933 31.533 38.515 775 HB2 LYS 98 2HB LYS 98 -28.555 32.605 35.809 776 HB3 LYS 98 1HB LYS 98 -29.426 31.171 36.334 777 HG2 LYS 98 2HG LYS 98 -29.283 33.685 37.973 778 HG3 LYS 98 1HG LYS 98 -30.549 33.376 36.783 779 HD2 LYS 98 2HD LYS 98 -31.196 31.351 37.984 780 HD3 LYS 98 1HD LYS 98 -29.913 31.632 39.162 781 HE2 LYS 98 2HE LYS 98 -30.978 33.526 40.040 782 HE3 LYS 98 1HE LYS 98 -32.039 33.683 38.640 783 HZ1 LYS 98 3HZ LYS 98 -33.505 32.691 40.000 784 HZ2 LYS 98 1HZ LYS 98 -32.316 32.013 40.994 785 HZ3 LYS 98 2HZ LYS 98 -32.724 31.266 39.532 786 H ALA 99 H ALA 99 -25.348 30.586 37.619 787 HA ALA 99 HA ALA 99 -25.672 28.455 35.763 788 HB1 ALA 99 1HB ALA 99 -23.519 28.695 37.856 789 HB2 ALA 99 2HB ALA 99 -23.505 29.588 36.336 790 HB3 ALA 99 3HB ALA 99 -23.447 27.826 36.323 791 H SER 100 H SER 100 -26.806 26.671 36.100 792 HA SER 100 HA SER 100 -27.041 25.634 38.845 793 HB2 SER 100 2HB SER 100 -29.194 26.212 37.879 794 HB3 SER 100 1HB SER 100 -28.849 25.242 36.448 795 HG SER 100 HG SER 100 -28.898 24.139 39.052 796 H ASN 101 H ASN 101 -26.619 24.623 35.466 797 HA ASN 101 HA ASN 101 -25.744 21.982 36.355 798 HB2 ASN 101 2HB ASN 101 -25.782 21.401 33.956 799 HB3 ASN 101 1HB ASN 101 -27.326 22.052 34.498 800 HD21 ASN 101 1HD2 ASN 101 -26.283 21.928 31.818 801 HD22 ASN 101 2HD2 ASN 101 -26.197 23.554 31.242 802 H MET 102 H MET 102 -24.554 24.777 34.537 803 HA MET 102 HA MET 102 -22.449 25.550 34.151 804 HB2 MET 102 2HB MET 102 -22.273 24.459 36.644 805 HB3 MET 102 1HB MET 102 -21.042 23.543 35.787 806 HG2 MET 102 2HG MET 102 -19.768 25.427 35.344 807 HG3 MET 102 1HG MET 102 -21.121 26.525 35.601 808 HE1 MET 102 3HE MET 102 -18.554 24.242 36.891 809 HE2 MET 102 1HE MET 102 -18.385 24.549 38.620 810 HE3 MET 102 2HE MET 102 -17.752 25.708 37.453 811 H GLU 103 H GLU 103 -21.842 22.081 34.706 812 HA GLU 103 HA GLU 103 -21.271 21.741 31.863 813 HB2 GLU 103 2HB GLU 103 -19.179 22.285 33.418 814 HB3 GLU 103 1HB GLU 103 -19.295 20.564 33.755 815 HG2 GLU 103 2HG GLU 103 -19.454 21.180 30.917 816 HG3 GLU 103 1HG GLU 103 -17.948 21.716 31.662 817 H ASN 104 H ASN 104 -23.315 20.581 32.096 818 HA ASN 104 HA ASN 104 -22.947 17.803 32.248 819 HB2 ASN 104 2HB ASN 104 -22.921 18.507 34.730 820 HB3 ASN 104 1HB ASN 104 -24.648 18.787 34.528 821 HD21 ASN 104 1HD2 ASN 104 -25.870 16.929 33.576 822 HD22 ASN 104 2HD2 ASN 104 -25.441 15.346 34.118 823 H ASN 105 H ASN 105 -24.219 17.308 30.589 824 HA ASN 105 HA ASN 105 -26.862 18.583 30.398 825 HB2 ASN 105 2HB ASN 105 -24.968 17.472 28.355 826 HB3 ASN 105 1HB ASN 105 -26.690 17.562 27.993 827 HD21 ASN 105 1HD2 ASN 105 -24.427 18.975 26.800 828 HD22 ASN 105 2HD2 ASN 105 -24.775 20.658 26.973 829 H GLU 106 H GLU 106 -25.337 15.454 29.608 830 HA GLU 106 HA GLU 106 -27.323 13.989 31.056 831 HB2 GLU 106 2HB GLU 106 -28.478 14.639 28.886 832 HB3 GLU 106 1HB GLU 106 -27.321 13.600 28.064 833 HG2 GLU 106 2HG GLU 106 -29.408 12.436 28.423 834 HG3 GLU 106 1HG GLU 106 -28.115 11.688 29.359 Start of MODEL 13 1 H1 GLY 1 1HT GLY 1 -23.431 6.183 5.781 2 H2 GLY 1 2HT GLY 1 -24.431 5.789 7.089 3 H3 GLY 1 3HT GLY 1 -24.977 6.862 5.901 4 HA2 GLY 1 1HA GLY 1 -26.048 4.973 5.240 5 HA3 GLY 1 2HA GLY 1 -24.567 4.885 4.297 6 HA PRO 2 HA PRO 2 -23.232 1.027 5.945 7 HB2 PRO 2 2HB PRO 2 -21.099 2.341 7.560 8 HB3 PRO 2 1HB PRO 2 -20.977 1.006 6.409 9 HG2 PRO 2 2HG PRO 2 -20.161 3.449 5.741 10 HG3 PRO 2 1HG PRO 2 -21.001 2.419 4.568 11 HD2 PRO 2 2HD PRO 2 -22.020 4.767 6.104 12 HD3 PRO 2 1HD PRO 2 -22.403 4.245 4.452 13 H GLY 3 H GLY 3 -23.524 3.641 8.275 14 HA2 GLY 3 2HA GLY 3 -24.708 1.732 10.168 15 HA3 GLY 3 1HA GLY 3 -23.412 2.781 10.725 16 H SER 4 H SER 4 -25.587 3.025 12.142 17 HA SER 4 HA SER 4 -26.724 5.582 11.260 18 HB2 SER 4 2HB SER 4 -28.339 3.688 10.825 19 HB3 SER 4 1HB SER 4 -28.388 3.424 12.569 20 HG SER 4 HG SER 4 -30.062 4.834 11.638 21 H LEU 5 H LEU 5 -28.057 6.526 13.208 22 HA LEU 5 HA LEU 5 -26.182 6.798 15.367 23 HB2 LEU 5 2HB LEU 5 -28.300 8.320 14.275 24 HB3 LEU 5 1HB LEU 5 -28.721 8.005 15.948 25 HG LEU 5 HG LEU 5 -25.960 8.959 15.429 26 HD11 LEU 5 1HD1 LEU 5 -27.346 10.349 13.929 27 HD12 LEU 5 2HD1 LEU 5 -26.629 11.267 15.251 28 HD13 LEU 5 3HD1 LEU 5 -28.332 10.815 15.314 29 HD21 LEU 5 3HD2 LEU 5 -27.995 9.023 17.569 30 HD22 LEU 5 1HD2 LEU 5 -26.923 10.419 17.457 31 HD23 LEU 5 2HD2 LEU 5 -26.248 8.803 17.667 32 H SER 6 H SER 6 -26.050 5.362 16.953 33 HA SER 6 HA SER 6 -28.449 3.882 17.756 34 HB2 SER 6 2HB SER 6 -25.983 2.927 17.206 35 HB3 SER 6 1HB SER 6 -25.823 3.190 18.943 36 HG SER 6 HG SER 6 -27.855 1.971 19.106 37 H ASN 7 H ASN 7 -25.840 5.871 19.078 38 HA ASN 7 HA ASN 7 -27.567 6.748 21.218 39 HB2 ASN 7 2HB ASN 7 -25.983 4.543 21.739 40 HB3 ASN 7 1HB ASN 7 -25.017 5.878 22.357 41 HD21 ASN 7 1HD2 ASN 7 -26.019 3.949 24.024 42 HD22 ASN 7 2HD2 ASN 7 -27.236 4.636 25.038 43 H PHE 8 H PHE 8 -24.123 6.645 20.292 44 HA PHE 8 HA PHE 8 -24.077 9.506 19.933 45 HB2 PHE 8 2HB PHE 8 -22.252 9.877 21.579 46 HB3 PHE 8 1HB PHE 8 -23.776 9.426 22.335 47 HD1 PHE 8 2HD PHE 8 -20.359 8.371 21.585 48 HD2 PHE 8 1HD PHE 8 -24.036 7.295 23.438 49 HE1 PHE 8 2HE PHE 8 -19.224 6.534 22.764 50 HE2 PHE 8 1HE PHE 8 -22.907 5.456 24.621 51 HZ PHE 8 HZ PHE 8 -20.497 5.074 24.284 52 H ALA 9 H ALA 9 -22.141 6.553 20.291 53 HA ALA 9 HA ALA 9 -20.444 5.682 19.050 54 HB1 ALA 9 1HB ALA 9 -22.198 6.471 17.226 55 HB2 ALA 9 2HB ALA 9 -20.615 5.831 16.783 56 HB3 ALA 9 3HB ALA 9 -20.886 7.573 16.805 57 H ASN 10 H ASN 10 -18.316 6.213 18.048 58 HA ASN 10 HA ASN 10 -17.350 8.879 18.824 59 HB2 ASN 10 2HB ASN 10 -15.208 7.704 19.563 60 HB3 ASN 10 1HB ASN 10 -16.606 7.526 20.617 61 HD21 ASN 10 1HD2 ASN 10 -14.321 5.943 18.635 62 HD22 ASN 10 2HD2 ASN 10 -14.878 4.327 18.889 63 H VAL 11 H VAL 11 -15.604 9.686 17.625 64 HA VAL 11 HA VAL 11 -15.319 8.444 14.992 65 HB VAL 11 HB VAL 11 -14.334 11.167 15.838 66 HG11 VAL 11 1HG1 VAL 11 -15.147 10.678 13.068 67 HG12 VAL 11 2HG1 VAL 11 -13.758 9.730 13.597 68 HG13 VAL 11 3HG1 VAL 11 -13.717 11.489 13.706 69 HG21 VAL 11 3HG2 VAL 11 -16.514 11.715 14.364 70 HG22 VAL 11 1HG2 VAL 11 -16.532 11.609 16.124 71 HG23 VAL 11 2HG2 VAL 11 -17.046 10.231 15.154 72 H GLY 12 H GLY 12 -13.964 7.151 17.076 73 HA2 GLY 12 2HA GLY 12 -11.734 6.174 16.505 74 HA3 GLY 12 1HA GLY 12 -11.150 7.832 16.473 75 H VAL 13 H VAL 13 -10.411 5.447 18.128 76 HA VAL 13 HA VAL 13 -10.985 6.539 20.801 77 HB VAL 13 HB VAL 13 -9.895 3.797 20.161 78 HG11 VAL 13 1HG1 VAL 13 -11.367 4.337 22.656 79 HG12 VAL 13 2HG1 VAL 13 -9.794 5.122 22.507 80 HG13 VAL 13 3HG1 VAL 13 -9.920 3.367 22.373 81 HG21 VAL 13 3HG2 VAL 13 -12.400 3.314 21.017 82 HG22 VAL 13 1HG2 VAL 13 -11.963 3.456 19.315 83 HG23 VAL 13 2HG2 VAL 13 -12.658 4.837 20.164 84 H GLY 14 H GLY 14 -9.399 7.485 21.910 85 HA2 GLY 14 2HA GLY 14 -6.613 6.934 21.090 86 HA3 GLY 14 1HA GLY 14 -7.177 8.561 21.440 87 H THR 15 H THR 15 -7.526 5.415 23.081 88 HA THR 15 HA THR 15 -5.869 6.175 25.271 89 HB THR 15 HB THR 15 -8.011 5.875 26.853 90 HG1 THR 15 1HG THR 15 -9.030 7.289 24.621 91 HG21 THR 15 3HG2 THR 15 -7.666 8.594 25.692 92 HG22 THR 15 1HG2 THR 15 -6.343 7.852 26.591 93 HG23 THR 15 2HG2 THR 15 -7.904 8.103 27.370 94 H SER 16 H SER 16 -4.883 4.238 25.297 95 HA SER 16 HA SER 16 -6.270 1.995 26.394 96 HB2 SER 16 2HB SER 16 -5.764 2.118 23.475 97 HB3 SER 16 1HB SER 16 -5.349 0.601 24.272 98 HG SER 16 HG SER 16 -7.850 1.868 24.642 99 H SER 17 H SER 17 -4.848 0.268 26.986 100 HA SER 17 HA SER 17 -2.066 0.329 26.414 101 HB2 SER 17 2HB SER 17 -1.422 0.779 28.875 102 HB3 SER 17 1HB SER 17 -1.834 2.166 27.866 103 HG SER 17 HG SER 17 -2.890 1.616 30.138 104 H GLY 18 H GLY 18 -0.856 -1.203 27.963 105 HA2 GLY 18 2HA GLY 18 -0.858 -3.123 29.334 106 HA3 GLY 18 1HA GLY 18 -2.602 -3.222 29.154 107 H LYS 19 H LYS 19 -2.604 -5.389 28.589 108 HA LYS 19 HA LYS 19 -1.100 -6.205 26.225 109 HB2 LYS 19 2HB LYS 19 -2.697 -7.714 28.285 110 HB3 LYS 19 1HB LYS 19 -2.130 -8.478 26.806 111 HG2 LYS 19 2HG LYS 19 -0.284 -8.970 27.938 112 HG3 LYS 19 1HG LYS 19 0.136 -7.262 27.782 113 HD2 LYS 19 2HD LYS 19 -1.542 -7.238 29.937 114 HD3 LYS 19 1HD LYS 19 -0.720 -8.786 30.134 115 HE2 LYS 19 2HE LYS 19 0.884 -7.582 31.133 116 HE3 LYS 19 1HE LYS 19 1.352 -7.134 29.493 117 HZ1 LYS 19 3HZ LYS 19 0.974 -5.290 31.215 118 HZ2 LYS 19 1HZ LYS 19 -0.676 -5.567 30.955 119 HZ3 LYS 19 2HZ LYS 19 0.315 -5.088 29.670 120 H GLN 20 H GLN 20 -2.112 -5.366 24.462 121 HA GLN 20 HA GLN 20 -4.526 -6.627 23.603 122 HB2 GLN 20 2HB GLN 20 -5.763 -4.451 23.249 123 HB3 GLN 20 1HB GLN 20 -5.652 -4.999 24.915 124 HG2 GLN 20 2HG GLN 20 -3.971 -3.401 25.418 125 HG3 GLN 20 1HG GLN 20 -3.781 -2.977 23.716 126 HE21 GLN 20 1HE2 GLN 20 -5.694 -2.034 22.657 127 HE22 GLN 20 2HE2 GLN 20 -6.703 -0.979 23.580 128 H LYS 21 H LYS 21 -1.791 -6.302 22.712 129 HA LYS 21 HA LYS 21 -2.151 -4.729 20.255 130 HB2 LYS 21 2HB LYS 21 0.110 -5.227 22.023 131 HB3 LYS 21 1HB LYS 21 0.505 -5.538 20.338 132 HG2 LYS 21 2HG LYS 21 0.089 -3.339 19.706 133 HG3 LYS 21 1HG LYS 21 -0.852 -2.999 21.160 134 HD2 LYS 21 2HD LYS 21 1.088 -2.950 22.515 135 HD3 LYS 21 1HD LYS 21 2.083 -3.661 21.243 136 HE2 LYS 21 2HE LYS 21 2.355 -1.689 20.171 137 HE3 LYS 21 1HE LYS 21 0.730 -1.130 20.563 138 HZ1 LYS 21 3HZ LYS 21 1.501 -0.691 22.833 139 HZ2 LYS 21 1HZ LYS 21 2.362 0.211 21.689 140 HZ3 LYS 21 2HZ LYS 21 3.068 -1.154 22.395 141 H ARG 22 H ARG 22 -3.283 -7.394 20.710 142 HA ARG 22 HA ARG 22 -1.793 -8.919 18.677 143 HB2 ARG 22 2HB ARG 22 -3.082 -9.699 21.184 144 HB3 ARG 22 1HB ARG 22 -3.561 -10.706 19.824 145 HG2 ARG 22 2HG ARG 22 -1.336 -11.376 19.411 146 HG3 ARG 22 1HG ARG 22 -0.687 -10.134 20.483 147 HD2 ARG 22 2HD ARG 22 -1.909 -11.284 22.363 148 HD3 ARG 22 1HD ARG 22 -2.237 -12.602 21.237 149 HE ARG 22 HE ARG 22 -0.085 -13.309 21.511 150 HH11 ARG 22 1HH1 ARG 22 -0.302 -9.994 22.580 151 HH12 ARG 22 2HH1 ARG 22 1.315 -9.954 23.196 152 HH21 ARG 22 1HH2 ARG 22 2.043 -13.259 22.320 153 HH22 ARG 22 2HH2 ARG 22 2.648 -11.809 23.048 154 H TYR 23 H TYR 23 -2.955 -7.463 17.156 155 HA TYR 23 HA TYR 23 -5.425 -8.749 16.301 156 HB2 TYR 23 2HB TYR 23 -5.177 -5.852 17.056 157 HB3 TYR 23 1HB TYR 23 -6.328 -6.354 15.822 158 HD1 TYR 23 2HD TYR 23 -8.019 -8.189 16.479 159 HD2 TYR 23 1HD TYR 23 -5.761 -5.953 19.310 160 HE1 TYR 23 2HE TYR 23 -9.648 -8.769 18.228 161 HE2 TYR 23 1HE TYR 23 -7.384 -6.528 21.067 162 HH TYR 23 HH TYR 23 -9.409 -8.925 20.988 163 H LYS 24 H LYS 24 -4.565 -9.524 14.441 164 HA LYS 24 HA LYS 24 -3.382 -7.557 12.592 165 HB2 LYS 24 2HB LYS 24 -2.866 -10.532 12.772 166 HB3 LYS 24 1HB LYS 24 -2.185 -9.460 11.555 167 HG2 LYS 24 2HG LYS 24 -0.983 -8.235 13.263 168 HG3 LYS 24 1HG LYS 24 -1.718 -9.229 14.521 169 HD2 LYS 24 2HD LYS 24 -0.233 -10.581 12.322 170 HD3 LYS 24 1HD LYS 24 0.689 -9.761 13.584 171 HE2 LYS 24 2HE LYS 24 -0.811 -11.071 15.220 172 HE3 LYS 24 1HE LYS 24 -1.192 -12.081 13.828 173 HZ1 LYS 24 3HZ LYS 24 1.384 -12.168 13.607 174 HZ2 LYS 24 1HZ LYS 24 0.594 -13.177 14.713 175 HZ3 LYS 24 2HZ LYS 24 1.357 -11.766 15.250 176 H PHE 25 H PHE 25 -5.999 -7.489 12.498 177 HA PHE 25 HA PHE 25 -7.393 -9.377 11.019 178 HB2 PHE 25 2HB PHE 25 -7.749 -6.490 11.575 179 HB3 PHE 25 1HB PHE 25 -8.681 -7.172 10.248 180 HD1 PHE 25 1HD PHE 25 -7.740 -8.289 13.687 181 HD2 PHE 25 2HD PHE 25 -10.833 -7.662 10.833 182 HE1 PHE 25 1HE PHE 25 -9.395 -9.142 15.298 183 HE2 PHE 25 2HE PHE 25 -12.493 -8.513 12.438 184 HZ PHE 25 HZ PHE 25 -11.775 -9.253 14.674 185 H SER 26 H SER 26 -8.155 -9.284 8.798 186 HA SER 26 HA SER 26 -5.984 -8.936 6.965 187 HB2 SER 26 2HB SER 26 -8.849 -9.812 6.723 188 HB3 SER 26 1HB SER 26 -7.928 -9.424 5.270 189 HG SER 26 HG SER 26 -7.720 -11.577 6.976 190 H ALA 27 H ALA 27 -6.161 -6.585 8.035 191 HA ALA 27 HA ALA 27 -6.330 -4.713 6.087 192 HB1 ALA 27 1HB ALA 27 -8.615 -4.935 5.697 193 HB2 ALA 27 2HB ALA 27 -8.530 -3.563 6.803 194 HB3 ALA 27 3HB ALA 27 -8.984 -5.157 7.406 195 H SER 28 H SER 28 -6.705 -5.586 9.450 196 HA SER 28 HA SER 28 -6.583 -3.099 10.686 197 HB2 SER 28 2HB SER 28 -5.923 -5.867 11.434 198 HB3 SER 28 1HB SER 28 -5.063 -4.637 12.358 199 HG SER 28 HG SER 28 -7.249 -3.667 12.612 200 H GLU 29 H GLU 29 -4.122 -4.808 8.946 201 HA GLU 29 HA GLU 29 -1.796 -3.748 10.022 202 HB2 GLU 29 2HB GLU 29 -2.564 -4.680 7.286 203 HB3 GLU 29 1HB GLU 29 -0.999 -3.918 7.527 204 HG2 GLU 29 2HG GLU 29 -0.238 -5.925 8.074 205 HG3 GLU 29 1HG GLU 29 -1.150 -5.762 9.575 206 H ASP 30 H ASP 30 -3.734 -2.438 7.333 207 HA ASP 30 HA ASP 30 -2.192 -0.075 7.061 208 HB2 ASP 30 2HB ASP 30 -5.008 -0.715 6.163 209 HB3 ASP 30 1HB ASP 30 -4.119 0.730 5.691 210 H GLU 31 H GLU 31 -5.042 -0.909 8.929 211 HA GLU 31 HA GLU 31 -5.636 1.769 9.722 212 HB2 GLU 31 2HB GLU 31 -6.465 -0.805 11.074 213 HB3 GLU 31 1HB GLU 31 -7.219 0.772 11.264 214 HG2 GLU 31 2HG GLU 31 -7.105 -0.123 8.495 215 HG3 GLU 31 1HG GLU 31 -8.023 -1.201 9.545 216 H ALA 32 H ALA 32 -3.581 -0.766 10.941 217 HA ALA 32 HA ALA 32 -3.208 0.388 13.522 218 HB1 ALA 32 1HB ALA 32 -0.978 -1.172 13.065 219 HB2 ALA 32 2HB ALA 32 -2.220 -1.931 12.068 220 HB3 ALA 32 3HB ALA 32 -2.489 -1.712 13.797 221 H ILE 33 H ILE 33 -1.531 0.583 10.432 222 HA ILE 33 HA ILE 33 0.671 2.069 11.432 223 HB ILE 33 HB ILE 33 -0.173 1.114 8.848 224 HG12 ILE 33 2HG1 ILE 33 1.906 0.429 9.792 225 HG13 ILE 33 1HG1 ILE 33 2.280 1.414 8.384 226 HG21 ILE 33 1HG2 ILE 33 0.807 2.949 7.488 227 HG22 ILE 33 2HG2 ILE 33 0.825 3.959 8.933 228 HG23 ILE 33 3HG2 ILE 33 -0.707 3.387 8.274 229 HD11 ILE 33 3HD1 ILE 33 3.596 2.656 9.645 230 HD12 ILE 33 1HD1 ILE 33 3.125 1.745 11.079 231 HD13 ILE 33 2HD1 ILE 33 2.191 3.156 10.585 232 H ILE 34 H ILE 34 -2.314 3.023 9.749 233 HA ILE 34 HA ILE 34 -1.787 5.752 9.693 234 HB ILE 34 HB ILE 34 -4.268 6.088 9.618 235 HG12 ILE 34 2HG1 ILE 34 -5.395 3.684 9.230 236 HG13 ILE 34 1HG1 ILE 34 -4.170 3.231 10.407 237 HG21 ILE 34 1HG2 ILE 34 -3.409 3.879 7.772 238 HG22 ILE 34 2HG2 ILE 34 -2.787 5.523 7.641 239 HG23 ILE 34 3HG2 ILE 34 -4.512 5.214 7.444 240 HD11 ILE 34 3HD1 ILE 34 -5.928 3.718 11.779 241 HD12 ILE 34 1HD1 ILE 34 -6.543 4.986 10.720 242 HD13 ILE 34 2HD1 ILE 34 -5.124 5.286 11.721 243 H LYS 35 H LYS 35 -3.158 3.710 12.211 244 HA LYS 35 HA LYS 35 -3.719 5.887 13.998 245 HB2 LYS 35 2HB LYS 35 -4.938 3.777 14.200 246 HB3 LYS 35 1HB LYS 35 -3.435 2.914 14.502 247 HG2 LYS 35 2HG LYS 35 -3.974 5.143 16.336 248 HG3 LYS 35 1HG LYS 35 -5.113 3.798 16.429 249 HD2 LYS 35 2HD LYS 35 -3.361 2.246 16.882 250 HD3 LYS 35 1HD LYS 35 -2.122 3.447 16.519 251 HE2 LYS 35 2HE LYS 35 -2.068 3.840 18.715 252 HE3 LYS 35 1HE LYS 35 -3.610 4.662 18.490 253 HZ1 LYS 35 3HZ LYS 35 -4.574 2.300 18.789 254 HZ2 LYS 35 1HZ LYS 35 -4.077 3.165 20.156 255 HZ3 LYS 35 2HZ LYS 35 -3.087 1.953 19.514 256 H GLY 36 H GLY 36 -1.032 3.823 13.245 257 HA2 GLY 36 2HA GLY 36 0.538 4.286 15.552 258 HA3 GLY 36 1HA GLY 36 1.123 3.717 13.996 259 H LEU 37 H LEU 37 0.563 5.793 12.339 260 HA LEU 37 HA LEU 37 2.648 7.620 12.976 261 HB2 LEU 37 2HB LEU 37 0.730 7.269 10.718 262 HB3 LEU 37 1HB LEU 37 1.595 8.787 10.858 263 HG LEU 37 HG LEU 37 3.738 7.472 10.850 264 HD11 LEU 37 1HD1 LEU 37 2.260 5.187 9.662 265 HD12 LEU 37 2HD1 LEU 37 2.320 5.317 11.420 266 HD13 LEU 37 3HD1 LEU 37 3.815 5.223 10.492 267 HD21 LEU 37 3HD2 LEU 37 1.932 7.238 8.449 268 HD22 LEU 37 1HD2 LEU 37 3.686 7.069 8.424 269 HD23 LEU 37 2HD2 LEU 37 2.955 8.613 8.861 270 H ALA 38 H ALA 38 -0.845 7.706 13.165 271 HA ALA 38 HA ALA 38 -0.933 10.549 13.674 272 HB1 ALA 38 1HB ALA 38 -3.318 10.252 13.910 273 HB2 ALA 38 2HB ALA 38 -3.124 8.499 13.945 274 HB3 ALA 38 3HB ALA 38 -2.749 9.399 12.476 275 H ARG 39 H ARG 39 -0.119 7.899 15.545 276 HA ARG 39 HA ARG 39 -0.953 9.293 18.003 277 HB2 ARG 39 2HB ARG 39 -1.949 6.961 17.436 278 HB3 ARG 39 1HB ARG 39 -0.376 6.350 17.928 279 HG2 ARG 39 2HG ARG 39 -1.394 8.211 19.874 280 HG3 ARG 39 1HG ARG 39 -2.562 6.925 19.560 281 HD2 ARG 39 2HD ARG 39 -0.289 5.482 19.731 282 HD3 ARG 39 1HD ARG 39 0.098 6.808 20.827 283 HE ARG 39 HE ARG 39 -1.810 4.705 21.256 284 HH11 ARG 39 1HH1 ARG 39 -0.932 7.975 22.101 285 HH12 ARG 39 2HH1 ARG 39 -1.760 7.938 23.621 286 HH21 ARG 39 1HH2 ARG 39 -2.899 4.654 23.254 287 HH22 ARG 39 2HH2 ARG 39 -2.876 6.051 24.276 288 H PHE 40 H PHE 40 1.629 7.583 16.348 289 HA PHE 40 HA PHE 40 3.450 8.274 18.556 290 HB2 PHE 40 2HB PHE 40 3.387 6.023 16.602 291 HB3 PHE 40 1HB PHE 40 4.956 6.587 17.163 292 HD1 PHE 40 2HD PHE 40 1.627 5.562 18.489 293 HD2 PHE 40 1HD PHE 40 5.840 5.678 19.081 294 HE1 PHE 40 2HE PHE 40 1.375 4.211 20.529 295 HE2 PHE 40 1HE PHE 40 5.595 4.326 21.122 296 HZ PHE 40 HZ PHE 40 3.360 3.592 21.850 297 H THR 41 H THR 41 3.941 10.374 17.979 298 HA THR 41 HA THR 41 6.088 10.775 16.259 299 HB THR 41 HB THR 41 4.497 10.416 14.437 300 HG1 THR 41 1HG THR 41 5.532 11.902 13.414 301 HG21 THR 41 3HG2 THR 41 3.041 12.914 15.159 302 HG22 THR 41 1HG2 THR 41 2.516 11.357 15.800 303 HG23 THR 41 2HG2 THR 41 2.576 11.620 14.058 304 H LYS 42 H LYS 42 6.828 11.925 18.014 305 HA LYS 42 HA LYS 42 5.568 14.557 18.405 306 HB2 LYS 42 2HB LYS 42 6.986 13.023 20.580 307 HB3 LYS 42 1HB LYS 42 6.032 14.492 20.746 308 HG2 LYS 42 2HG LYS 42 4.071 13.380 20.769 309 HG3 LYS 42 1HG LYS 42 4.623 12.156 19.626 310 HD2 LYS 42 2HD LYS 42 5.798 12.218 22.368 311 HD3 LYS 42 1HD LYS 42 4.183 11.544 22.141 312 HE2 LYS 42 2HE LYS 42 5.722 9.739 21.985 313 HE3 LYS 42 1HE LYS 42 5.151 10.076 20.351 314 HZ1 LYS 42 3HZ LYS 42 7.588 9.711 20.549 315 HZ2 LYS 42 1HZ LYS 42 7.693 11.141 21.447 316 HZ3 LYS 42 2HZ LYS 42 7.169 11.187 19.840 317 H GLY 43 H GLY 43 7.784 13.673 16.661 318 HA2 GLY 43 2HA GLY 43 9.824 15.520 17.718 319 HA3 GLY 43 1HA GLY 43 10.299 13.960 17.062 320 H GLN 44 H GLN 44 9.548 13.536 14.784 321 HA GLN 44 HA GLN 44 8.774 15.551 13.024 322 HB2 GLN 44 2HB GLN 44 11.535 15.734 13.834 323 HB3 GLN 44 1HB GLN 44 11.435 15.388 12.113 324 HG2 GLN 44 2HG GLN 44 10.012 17.325 11.784 325 HG3 GLN 44 1HG GLN 44 10.038 17.656 13.514 326 HE21 GLN 44 1HE2 GLN 44 12.261 17.153 10.797 327 HE22 GLN 44 2HE2 GLN 44 13.395 18.363 11.277 328 H GLN 45 H GLN 45 10.799 12.704 13.485 329 HA GLN 45 HA GLN 45 9.601 11.554 11.063 330 HB2 GLN 45 2HB GLN 45 12.104 12.400 10.932 331 HB3 GLN 45 1HB GLN 45 12.428 10.872 11.740 332 HG2 GLN 45 2HG GLN 45 10.960 9.876 9.831 333 HG3 GLN 45 1HG GLN 45 11.358 11.382 9.005 334 HE21 GLN 45 1HE2 GLN 45 13.036 8.941 10.967 335 HE22 GLN 45 2HE2 GLN 45 14.403 8.794 9.921 336 H ARG 46 H ARG 46 8.245 10.755 12.963 337 HA ARG 46 HA ARG 46 9.497 8.474 14.316 338 HB2 ARG 46 2HB ARG 46 7.760 10.421 15.238 339 HB3 ARG 46 1HB ARG 46 6.714 9.027 15.003 340 HG2 ARG 46 2HG ARG 46 9.251 8.476 16.379 341 HG3 ARG 46 1HG ARG 46 8.121 9.514 17.250 342 HD2 ARG 46 2HD ARG 46 6.524 7.485 16.257 343 HD3 ARG 46 1HD ARG 46 8.008 6.658 16.730 344 HE ARG 46 HE ARG 46 6.064 7.861 18.469 345 HH11 ARG 46 1HH1 ARG 46 9.399 6.883 18.158 346 HH12 ARG 46 2HH1 ARG 46 9.642 6.722 19.864 347 HH21 ARG 46 1HH2 ARG 46 6.380 7.650 20.714 348 HH22 ARG 46 2HH2 ARG 46 7.928 7.157 21.316 349 H PHE 47 H PHE 47 7.226 9.295 11.850 350 HA PHE 47 HA PHE 47 5.512 7.185 11.686 351 HB2 PHE 47 2HB PHE 47 6.945 8.272 9.264 352 HB3 PHE 47 1HB PHE 47 5.314 7.616 9.348 353 HD1 PHE 47 1HD PHE 47 4.420 9.059 11.848 354 HD2 PHE 47 2HD PHE 47 6.497 10.397 8.383 355 HE1 PHE 47 1HE PHE 47 3.531 11.327 12.195 356 HE2 PHE 47 2HE PHE 47 5.613 12.667 8.725 357 HZ PHE 47 HZ PHE 47 4.129 13.134 10.632 358 H GLN 48 H GLN 48 8.869 7.243 10.526 359 HA GLN 48 HA GLN 48 8.803 4.598 9.482 360 HB2 GLN 48 2HB GLN 48 11.235 4.796 9.341 361 HB3 GLN 48 1HB GLN 48 10.461 6.257 8.745 362 HG2 GLN 48 2HG GLN 48 11.789 7.408 10.086 363 HG3 GLN 48 1HG GLN 48 10.890 6.741 11.448 364 HE21 GLN 48 1HE2 GLN 48 11.907 5.426 12.823 365 HE22 GLN 48 2HE2 GLN 48 13.512 4.820 12.617 366 H GLN 49 H GLN 49 9.481 5.983 12.621 367 HA GLN 49 HA GLN 49 10.735 3.748 13.799 368 HB2 GLN 49 2HB GLN 49 10.478 6.204 14.653 369 HB3 GLN 49 1HB GLN 49 8.983 5.613 15.364 370 HG2 GLN 49 2HG GLN 49 11.740 4.527 15.889 371 HG3 GLN 49 1HG GLN 49 10.808 5.566 16.966 372 HE21 GLN 49 1HE2 GLN 49 8.507 4.641 17.351 373 HE22 GLN 49 2HE2 GLN 49 8.457 2.969 17.783 374 H ILE 50 H ILE 50 7.337 4.827 13.831 375 HA ILE 50 HA ILE 50 6.343 2.654 15.305 376 HB ILE 50 HB ILE 50 5.123 4.826 14.751 377 HG12 ILE 50 2HG1 ILE 50 4.123 2.861 15.912 378 HG13 ILE 50 1HG1 ILE 50 2.956 3.805 14.992 379 HG21 ILE 50 1HG2 ILE 50 4.681 3.360 12.173 380 HG22 ILE 50 2HG2 ILE 50 5.243 5.011 12.428 381 HG23 ILE 50 3HG2 ILE 50 3.566 4.591 12.761 382 HD11 ILE 50 3HD1 ILE 50 3.726 1.932 13.169 383 HD12 ILE 50 1HD1 ILE 50 2.297 1.832 14.198 384 HD13 ILE 50 2HD1 ILE 50 3.790 1.031 14.685 385 H TYR 51 H TYR 51 6.942 3.117 11.879 386 HA TYR 51 HA TYR 51 5.670 0.841 10.873 387 HB2 TYR 51 2HB TYR 51 6.491 2.552 9.378 388 HB3 TYR 51 1HB TYR 51 8.145 2.294 9.918 389 HD1 TYR 51 1HD TYR 51 5.420 0.023 8.720 390 HD2 TYR 51 2HD TYR 51 9.428 1.368 8.246 391 HE1 TYR 51 1HE TYR 51 5.748 -1.610 6.910 392 HE2 TYR 51 2HE TYR 51 9.767 -0.260 6.435 393 HH TYR 51 HH TYR 51 7.898 -2.837 5.904 394 H TYR 52 H TYR 52 8.876 1.291 12.261 395 HA TYR 52 HA TYR 52 9.900 -1.264 11.709 396 HB2 TYR 52 2HB TYR 52 10.623 1.000 13.424 397 HB3 TYR 52 1HB TYR 52 11.112 -0.560 14.076 398 HD1 TYR 52 2HD TYR 52 12.455 -2.109 12.514 399 HD2 TYR 52 1HD TYR 52 11.922 2.051 11.797 400 HE1 TYR 52 2HE TYR 52 14.415 -2.119 11.028 401 HE2 TYR 52 1HE TYR 52 13.880 2.052 10.310 402 HH TYR 52 HH TYR 52 15.120 0.339 8.897 403 H ALA 53 H ALA 53 8.550 -0.010 14.747 404 HA ALA 53 HA ALA 53 8.416 -2.515 16.035 405 HB1 ALA 53 1HB ALA 53 6.809 -1.378 17.574 406 HB2 ALA 53 2HB ALA 53 6.872 0.030 16.513 407 HB3 ALA 53 3HB ALA 53 8.329 -0.513 17.345 408 H TYR 54 H TYR 54 6.359 -0.918 13.760 409 HA TYR 54 HA TYR 54 4.051 -2.562 14.202 410 HB2 TYR 54 2HB TYR 54 3.524 -0.447 13.370 411 HB3 TYR 54 1HB TYR 54 4.843 -0.467 12.208 412 HD1 TYR 54 1HD TYR 54 1.519 -1.964 12.933 413 HD2 TYR 54 2HD TYR 54 4.473 -1.111 9.995 414 HE1 TYR 54 1HE TYR 54 -0.052 -2.637 11.164 415 HE2 TYR 54 2HE TYR 54 2.914 -1.775 8.219 416 HH TYR 54 HH TYR 54 0.279 -1.873 8.022 417 H ARG 55 H ARG 55 7.012 -3.055 12.648 418 HA ARG 55 HA ARG 55 6.386 -4.469 10.354 419 HB2 ARG 55 2HB ARG 55 8.555 -5.451 10.496 420 HB3 ARG 55 1HB ARG 55 8.683 -3.830 11.159 421 HG2 ARG 55 2HG ARG 55 8.340 -4.975 13.443 422 HG3 ARG 55 1HG ARG 55 8.756 -6.458 12.584 423 HD2 ARG 55 2HD ARG 55 10.902 -5.657 12.031 424 HD3 ARG 55 1HD ARG 55 10.480 -4.001 12.463 425 HE ARG 55 HE ARG 55 10.184 -5.336 14.794 426 HH11 ARG 55 1HH1 ARG 55 12.785 -5.141 12.476 427 HH12 ARG 55 2HH1 ARG 55 14.026 -5.384 13.659 428 HH21 ARG 55 1HH2 ARG 55 11.814 -5.655 16.352 429 HH22 ARG 55 2HH2 ARG 55 13.475 -5.675 15.861 430 H SER 56 H SER 56 6.119 -5.443 13.691 431 HA SER 56 HA SER 56 5.934 -8.227 13.314 432 HB2 SER 56 2HB SER 56 6.297 -7.180 15.521 433 HB3 SER 56 1HB SER 56 4.658 -6.530 15.474 434 HG SER 56 HG SER 56 5.495 -9.216 15.695 435 H VAL 57 H VAL 57 3.618 -5.640 12.955 436 HA VAL 57 HA VAL 57 1.325 -7.368 12.838 437 HB VAL 57 HB VAL 57 1.518 -4.513 11.877 438 HG11 VAL 57 1HG1 VAL 57 -0.956 -5.595 13.058 439 HG12 VAL 57 2HG1 VAL 57 -0.499 -6.251 11.487 440 HG13 VAL 57 3HG1 VAL 57 -0.730 -4.514 11.685 441 HG21 VAL 57 3HG2 VAL 57 2.290 -4.806 14.234 442 HG22 VAL 57 1HG2 VAL 57 0.698 -5.458 14.618 443 HG23 VAL 57 2HG2 VAL 57 0.858 -3.793 14.061 444 H TRP 58 H TRP 58 3.031 -5.368 10.419 445 HA TRP 58 HA TRP 58 1.726 -6.881 8.290 446 HB2 TRP 58 2HB TRP 58 2.380 -4.206 8.542 447 HB3 TRP 58 1HB TRP 58 3.622 -4.814 7.457 448 HD1 TRP 58 HD TRP 58 1.285 -2.784 6.558 449 HE1 TRP 58 1HE TRP 58 -0.258 -3.459 4.614 450 HE3 TRP 58 3HE TRP 58 1.998 -7.849 6.668 451 HZ2 TRP 58 2HZ TRP 58 -1.064 -5.820 3.298 452 HZ3 TRP 58 3HZ TRP 58 0.805 -9.242 5.030 453 HH2 TRP 58 HH TRP 58 -0.695 -8.247 3.380 454 H HIS 59 H HIS 59 3.681 -6.599 6.295 455 HA HIS 59 HA HIS 59 5.387 -8.818 6.952 456 HB2 HIS 59 2HB HIS 59 4.527 -7.419 4.533 457 HB3 HIS 59 1HB HIS 59 6.224 -7.890 4.485 458 HD1 HIS 59 1HD HIS 59 2.815 -9.457 5.062 459 HD2 HIS 59 2HD HIS 59 6.645 -10.497 3.834 460 HE1 HIS 59 1HE HIS 59 2.653 -11.852 4.316 461 HE2 HIS 59 2HE HIS 59 4.964 -12.435 3.498 462 HA PRO 60 HA PRO 60 8.622 -6.186 8.659 463 HB2 PRO 60 2HB PRO 60 10.169 -8.685 8.153 464 HB3 PRO 60 1HB PRO 60 10.084 -7.689 9.610 465 HG2 PRO 60 2HG PRO 60 8.790 -10.009 9.481 466 HG3 PRO 60 1HG PRO 60 8.058 -8.603 10.276 467 HD2 PRO 60 2HD PRO 60 7.464 -9.794 7.606 468 HD3 PRO 60 1HD PRO 60 6.364 -9.036 8.776 469 H ALA 61 H ALA 61 9.658 -4.732 7.464 470 HA ALA 61 HA ALA 61 11.685 -5.332 5.628 471 HB1 ALA 61 1HB ALA 61 10.352 -5.997 3.915 472 HB2 ALA 61 2HB ALA 61 10.285 -4.257 3.630 473 HB3 ALA 61 3HB ALA 61 8.968 -5.063 4.482 474 H ARG 62 H ARG 62 12.600 -3.421 4.623 475 HA ARG 62 HA ARG 62 12.119 -1.054 6.246 476 HB2 ARG 62 2HB ARG 62 14.416 -2.201 5.359 477 HB3 ARG 62 1HB ARG 62 14.179 -0.964 4.131 478 HG2 ARG 62 2HG ARG 62 13.894 0.664 6.078 479 HG3 ARG 62 1HG ARG 62 14.571 -0.619 7.083 480 HD2 ARG 62 2HD ARG 62 16.225 -0.388 4.804 481 HD3 ARG 62 1HD ARG 62 15.920 1.247 5.388 482 HE ARG 62 HE ARG 62 17.195 0.791 7.235 483 HH11 ARG 62 1HH1 ARG 62 16.394 -2.211 5.645 484 HH12 ARG 62 2HH1 ARG 62 17.447 -3.162 6.636 485 HH21 ARG 62 1HH2 ARG 62 18.581 -0.458 8.539 486 HH22 ARG 62 2HH2 ARG 62 18.690 -2.167 8.279 487 H THR 63 H THR 63 9.950 -1.329 4.770 488 HA THR 63 HA THR 63 10.256 0.288 2.348 489 HB THR 63 HB THR 63 7.555 -0.628 3.026 490 HG1 THR 63 1HG THR 63 9.644 -2.504 2.665 491 HG21 THR 63 3HG2 THR 63 7.350 -1.054 0.804 492 HG22 THR 63 1HG2 THR 63 9.036 -1.544 0.627 493 HG23 THR 63 2HG2 THR 63 8.624 0.166 0.759 494 H VAL 64 H VAL 64 10.754 1.795 4.525 495 HA VAL 64 HA VAL 64 8.616 3.013 5.820 496 HB VAL 64 HB VAL 64 11.255 4.236 4.992 497 HG11 VAL 64 1HG1 VAL 64 9.217 5.229 6.986 498 HG12 VAL 64 2HG1 VAL 64 9.636 5.992 5.451 499 HG13 VAL 64 3HG1 VAL 64 10.828 5.904 6.748 500 HG21 VAL 64 3HG2 VAL 64 12.106 3.563 7.048 501 HG22 VAL 64 1HG2 VAL 64 11.131 2.180 6.549 502 HG23 VAL 64 2HG2 VAL 64 10.501 3.316 7.742 503 H SER 65 H SER 65 9.949 3.552 2.619 504 HA SER 65 HA SER 65 8.645 5.954 1.996 505 HB2 SER 65 2HB SER 65 10.459 4.841 0.630 506 HB3 SER 65 1HB SER 65 9.233 3.715 0.047 507 HG SER 65 HG SER 65 9.189 6.537 -0.252 508 H GLN 66 H GLN 66 7.647 2.585 1.708 509 HA GLN 66 HA GLN 66 5.188 3.010 0.421 510 HB2 GLN 66 2HB GLN 66 6.503 0.800 1.055 511 HB3 GLN 66 1HB GLN 66 5.461 0.849 2.469 512 HG2 GLN 66 2HG GLN 66 4.110 -0.370 1.149 513 HG3 GLN 66 1HG GLN 66 3.622 1.218 0.563 514 HE21 GLN 66 1HE2 GLN 66 3.059 0.533 -1.466 515 HE22 GLN 66 2HE2 GLN 66 4.209 -0.016 -2.632 516 H LEU 67 H LEU 67 6.151 3.109 3.796 517 HA LEU 67 HA LEU 67 3.642 3.281 5.002 518 HB2 LEU 67 2HB LEU 67 6.253 3.375 5.862 519 HB3 LEU 67 1HB LEU 67 5.676 4.993 6.218 520 HG LEU 67 HG LEU 67 5.390 3.570 8.155 521 HD11 LEU 67 1HD1 LEU 67 2.745 3.638 8.153 522 HD12 LEU 67 2HD1 LEU 67 3.018 4.615 6.710 523 HD13 LEU 67 3HD1 LEU 67 3.717 5.105 8.254 524 HD21 LEU 67 3HD2 LEU 67 5.173 1.482 6.657 525 HD22 LEU 67 1HD2 LEU 67 3.452 1.868 6.643 526 HD23 LEU 67 2HD2 LEU 67 4.272 1.543 8.172 527 H TYR 68 H TYR 68 5.761 5.819 3.778 528 HA TYR 68 HA TYR 68 4.071 7.982 4.414 529 HB2 TYR 68 2HB TYR 68 6.279 7.622 2.392 530 HB3 TYR 68 1HB TYR 68 5.390 9.134 2.530 531 HD1 TYR 68 1HD TYR 68 5.944 7.253 5.594 532 HD2 TYR 68 2HD TYR 68 7.557 10.236 3.018 533 HE1 TYR 68 1HE TYR 68 7.461 7.977 7.386 534 HE2 TYR 68 2HE TYR 68 9.077 10.966 4.808 535 HH TYR 68 HH TYR 68 10.063 9.500 7.095 536 H ASP 69 H ASP 69 4.122 5.668 1.821 537 HA ASP 69 HA ASP 69 2.528 7.069 -0.030 538 HB2 ASP 69 2HB ASP 69 3.937 4.882 -0.306 539 HB3 ASP 69 1HB ASP 69 2.443 4.084 0.175 540 H HIS 70 H HIS 70 1.649 4.640 2.420 541 HA HIS 70 HA HIS 70 -1.153 4.925 1.855 542 HB2 HIS 70 2HB HIS 70 -0.647 3.854 4.502 543 HB3 HIS 70 1HB HIS 70 -1.437 3.102 3.126 544 HD1 HIS 70 1HD HIS 70 1.624 3.053 5.105 545 HD2 HIS 70 2HD HIS 70 0.404 1.703 1.373 546 HE1 HIS 70 1HE HIS 70 3.360 1.390 4.400 547 HE2 HIS 70 2HE HIS 70 2.517 0.464 2.209 548 H TRP 71 H TRP 71 1.133 6.282 4.085 549 HA TRP 71 HA TRP 71 -0.764 7.564 5.773 550 HB2 TRP 71 2HB TRP 71 1.531 7.046 6.501 551 HB3 TRP 71 1HB TRP 71 2.164 8.175 5.307 552 HD1 TRP 71 HD TRP 71 2.943 10.304 6.480 553 HE1 TRP 71 1HE TRP 71 2.087 11.777 8.410 554 HE3 TRP 71 3HE TRP 71 -1.179 7.588 7.808 555 HZ2 TRP 71 2HZ TRP 71 -0.053 11.786 10.251 556 HZ3 TRP 71 3HZ TRP 71 -2.578 8.397 9.664 557 HH2 TRP 71 HH TRP 71 -2.025 10.453 10.859 558 H ARG 72 H ARG 72 0.884 8.413 2.803 559 HA ARG 72 HA ARG 72 0.109 11.187 2.908 560 HB2 ARG 72 2HB ARG 72 2.165 10.459 1.748 561 HB3 ARG 72 1HB ARG 72 1.186 9.559 0.598 562 HG2 ARG 72 2HG ARG 72 1.008 11.363 -0.666 563 HG3 ARG 72 1HG ARG 72 0.215 12.220 0.656 564 HD2 ARG 72 2HD ARG 72 3.139 11.982 0.880 565 HD3 ARG 72 1HD ARG 72 2.567 12.967 -0.465 566 HE ARG 72 HE ARG 72 1.144 13.835 1.711 567 HH11 ARG 72 1HH1 ARG 72 4.527 13.563 0.895 568 HH12 ARG 72 2HH1 ARG 72 4.999 14.912 1.873 569 HH21 ARG 72 1HH2 ARG 72 1.763 15.610 2.996 570 HH22 ARG 72 2HH2 ARG 72 3.431 16.075 3.064 571 H GLY 73 H GLY 73 -1.158 8.217 1.594 572 HA2 GLY 73 2HA GLY 73 -3.089 9.512 -0.112 573 HA3 GLY 73 1HA GLY 73 -3.003 7.794 0.256 574 H THR 74 H THR 74 -2.980 8.407 3.186 575 HA THR 74 HA THR 74 -5.859 8.493 3.498 576 HB THR 74 HB THR 74 -5.339 8.004 5.894 577 HG1 THR 74 1HG THR 74 -3.409 8.551 6.482 578 HG21 THR 74 3HG2 THR 74 -3.712 5.915 4.937 579 HG22 THR 74 1HG2 THR 74 -4.885 6.288 3.675 580 HG23 THR 74 2HG2 THR 74 -5.439 5.884 5.299 581 H LEU 75 H LEU 75 -3.054 10.460 4.325 582 HA LEU 75 HA LEU 75 -4.772 12.435 5.626 583 HB2 LEU 75 2HB LEU 75 -2.107 11.583 6.006 584 HB3 LEU 75 1HB LEU 75 -2.019 13.243 5.444 585 HG LEU 75 HG LEU 75 -3.639 13.850 7.279 586 HD11 LEU 75 1HD1 LEU 75 -3.434 12.063 9.200 587 HD12 LEU 75 2HD1 LEU 75 -3.275 10.953 7.839 588 HD13 LEU 75 3HD1 LEU 75 -4.712 11.963 7.990 589 HD21 LEU 75 3HD2 LEU 75 -1.757 13.257 9.089 590 HD22 LEU 75 1HD2 LEU 75 -1.573 14.539 7.891 591 HD23 LEU 75 2HD2 LEU 75 -0.842 12.960 7.611 592 H ARG 76 H ARG 76 -2.164 12.482 3.196 593 HA ARG 76 HA ARG 76 -1.656 14.048 1.599 594 HB2 ARG 76 2HB ARG 76 -3.807 14.311 0.042 595 HB3 ARG 76 1HB ARG 76 -2.841 12.845 0.081 596 HG2 ARG 76 2HG ARG 76 -4.423 11.709 1.392 597 HG3 ARG 76 1HG ARG 76 -5.259 13.201 1.819 598 HD2 ARG 76 2HD ARG 76 -6.624 12.926 0.093 599 HD3 ARG 76 1HD ARG 76 -5.247 13.021 -1.003 600 HE ARG 76 HE ARG 76 -5.182 10.455 -0.156 601 HH11 ARG 76 1HH1 ARG 76 -7.696 12.450 -1.529 602 HH12 ARG 76 2HH1 ARG 76 -8.508 11.122 -2.287 603 HH21 ARG 76 1HH2 ARG 76 -6.249 8.708 -1.154 604 HH22 ARG 76 2HH2 ARG 76 -7.688 8.998 -2.074 605 H TYR 77 H TYR 77 -4.994 15.120 1.508 606 HA TYR 77 HA TYR 77 -4.879 17.314 3.204 607 HB2 TYR 77 2HB TYR 77 -4.599 19.121 1.397 608 HB3 TYR 77 1HB TYR 77 -3.142 18.325 1.981 609 HD1 TYR 77 1HD TYR 77 -5.489 18.602 -0.843 610 HD2 TYR 77 2HD TYR 77 -1.822 16.937 0.533 611 HE1 TYR 77 1HE TYR 77 -4.902 17.997 -3.153 612 HE2 TYR 77 2HE TYR 77 -1.226 16.329 -1.772 613 HH TYR 77 HH TYR 77 -2.691 17.575 -4.442 614 H LYS 78 H LYS 78 -6.845 18.282 3.319 615 HA LYS 78 HA LYS 78 -8.716 17.926 1.091 616 HB2 LYS 78 2HB LYS 78 -9.040 16.926 3.893 617 HB3 LYS 78 1HB LYS 78 -10.459 17.455 3.000 618 HG2 LYS 78 2HG LYS 78 -10.523 15.306 2.356 619 HG3 LYS 78 1HG LYS 78 -9.332 15.841 1.167 620 HD2 LYS 78 2HD LYS 78 -7.564 15.236 2.888 621 HD3 LYS 78 1HD LYS 78 -8.853 14.425 3.777 622 HE2 LYS 78 2HE LYS 78 -8.297 13.834 0.886 623 HE3 LYS 78 1HE LYS 78 -7.439 13.009 2.185 624 HZ1 LYS 78 3HZ LYS 78 -9.399 11.783 1.384 625 HZ2 LYS 78 1HZ LYS 78 -10.393 13.056 1.889 626 HZ3 LYS 78 2HZ LYS 78 -9.507 12.172 3.027 627 H VAL 79 H VAL 79 -8.751 19.174 4.434 628 HA VAL 79 HA VAL 79 -9.299 21.852 3.419 629 HB VAL 79 HB VAL 79 -11.104 20.599 5.487 630 HG11 VAL 79 1HG1 VAL 79 -10.590 23.185 5.233 631 HG12 VAL 79 2HG1 VAL 79 -12.208 22.590 5.604 632 HG13 VAL 79 3HG1 VAL 79 -11.794 23.045 3.952 633 HG21 VAL 79 3HG2 VAL 79 -11.541 21.017 2.534 634 HG22 VAL 79 1HG2 VAL 79 -12.839 20.694 3.684 635 HG23 VAL 79 2HG2 VAL 79 -11.575 19.493 3.423 636 H ILE 80 H ILE 80 -7.347 22.542 4.255 637 HA ILE 80 HA ILE 80 -6.438 21.974 6.874 638 HB ILE 80 HB ILE 80 -5.677 24.363 5.194 639 HG12 ILE 80 2HG1 ILE 80 -5.417 22.355 3.850 640 HG13 ILE 80 1HG1 ILE 80 -3.831 22.934 4.349 641 HG21 ILE 80 1HG2 ILE 80 -3.456 23.870 6.434 642 HG22 ILE 80 2HG2 ILE 80 -4.481 22.988 7.565 643 HG23 ILE 80 3HG2 ILE 80 -4.753 24.709 7.286 644 HD11 ILE 80 3HD1 ILE 80 -5.316 20.503 5.203 645 HD12 ILE 80 1HD1 ILE 80 -4.145 21.235 6.299 646 HD13 ILE 80 2HD1 ILE 80 -3.635 20.681 4.703 647 H GLN 81 H GLN 81 -8.304 24.632 5.494 648 HA GLN 81 HA GLN 81 -8.587 25.789 8.182 649 HB2 GLN 81 2HB GLN 81 -9.067 27.010 5.460 650 HB3 GLN 81 1HB GLN 81 -9.395 27.822 6.984 651 HG2 GLN 81 2HG GLN 81 -7.001 27.602 7.565 652 HG3 GLN 81 1HG GLN 81 -6.713 26.911 5.969 653 HE21 GLN 81 1HE2 GLN 81 -5.284 29.048 6.555 654 HE22 GLN 81 2HE2 GLN 81 -5.863 30.454 5.735 655 H GLN 82 H GLN 82 -10.252 24.661 9.075 656 HA GLN 82 HA GLN 82 -12.650 24.086 7.578 657 HB2 GLN 82 2HB GLN 82 -11.424 23.106 9.943 658 HB3 GLN 82 1HB GLN 82 -13.015 23.704 10.392 659 HG2 GLN 82 2HG GLN 82 -14.112 22.186 9.042 660 HG3 GLN 82 1HG GLN 82 -12.699 21.916 8.022 661 HE21 GLN 82 1HE2 GLN 82 -13.269 19.651 8.389 662 HE22 GLN 82 2HE2 GLN 82 -12.671 18.864 9.805 663 H GLN 83 H GLN 83 -13.443 26.131 7.018 664 HA GLN 83 HA GLN 83 -14.917 27.441 9.166 665 HB2 GLN 83 2HB GLN 83 -12.969 28.861 7.347 666 HB3 GLN 83 1HB GLN 83 -14.211 29.695 8.272 667 HG2 GLN 83 2HG GLN 83 -12.698 29.863 9.885 668 HG3 GLN 83 1HG GLN 83 -12.961 28.144 10.166 669 HE21 GLN 83 1HE2 GLN 83 -11.040 30.392 8.228 670 HE22 GLN 83 2HE2 GLN 83 -9.617 29.413 8.178 671 H GLY 84 H GLY 84 -14.140 27.942 5.714 672 HA2 GLY 84 2HA GLY 84 -15.675 27.545 3.940 673 HA3 GLY 84 1HA GLY 84 -16.992 27.638 5.096 674 H TYR 85 H TYR 85 -17.387 29.805 6.069 675 HA TYR 85 HA TYR 85 -17.571 31.756 3.988 676 HB2 TYR 85 2HB TYR 85 -19.008 31.240 6.260 677 HB3 TYR 85 1HB TYR 85 -18.096 32.668 6.737 678 HD1 TYR 85 1HD TYR 85 -20.430 31.357 4.167 679 HD2 TYR 85 2HD TYR 85 -18.731 34.807 5.986 680 HE1 TYR 85 1HE TYR 85 -22.043 32.775 2.970 681 HE2 TYR 85 2HE TYR 85 -20.341 36.235 4.796 682 HH TYR 85 HH TYR 85 -22.140 35.210 2.200 683 H ARG 86 H ARG 86 -16.005 33.091 3.402 684 HA ARG 86 HA ARG 86 -13.904 33.764 5.337 685 HB2 ARG 86 2HB ARG 86 -13.569 32.804 2.879 686 HB3 ARG 86 1HB ARG 86 -13.688 34.508 2.458 687 HG2 ARG 86 2HG ARG 86 -11.649 34.961 3.237 688 HG3 ARG 86 1HG ARG 86 -11.887 33.992 4.692 689 HD2 ARG 86 2HD ARG 86 -11.548 31.954 3.254 690 HD3 ARG 86 1HD ARG 86 -11.058 33.043 1.958 691 HE ARG 86 HE ARG 86 -9.454 33.776 4.001 692 HH11 ARG 86 1HH1 ARG 86 -10.179 30.688 2.544 693 HH12 ARG 86 2HH1 ARG 86 -8.622 30.017 2.895 694 HH21 ARG 86 1HH2 ARG 86 -7.406 32.894 4.463 695 HH22 ARG 86 2HH2 ARG 86 -7.048 31.268 3.987 696 H GLY 87 H GLY 87 -15.943 35.304 2.852 697 HA2 GLY 87 2HA GLY 87 -16.341 37.611 4.520 698 HA3 GLY 87 1HA GLY 87 -15.273 37.932 3.163 699 H LYS 88 H LYS 88 -16.110 38.180 1.140 700 HA LYS 88 HA LYS 88 -18.888 37.508 0.625 701 HB2 LYS 88 2HB LYS 88 -19.350 39.856 -0.187 702 HB3 LYS 88 1HB LYS 88 -19.232 39.669 1.556 703 HG2 LYS 88 2HG LYS 88 -17.934 41.498 1.358 704 HG3 LYS 88 1HG LYS 88 -16.688 40.292 1.024 705 HD2 LYS 88 2HD LYS 88 -17.959 40.792 -1.430 706 HD3 LYS 88 1HD LYS 88 -17.721 42.370 -0.676 707 HE2 LYS 88 2HE LYS 88 -15.582 40.283 -1.084 708 HE3 LYS 88 1HE LYS 88 -15.818 41.714 -2.086 709 HZ1 LYS 88 3HZ LYS 88 -14.300 42.560 -0.674 710 HZ2 LYS 88 1HZ LYS 88 -14.670 41.479 0.575 711 HZ3 LYS 88 2HZ LYS 88 -15.648 42.833 0.311 712 H ASN 89 H ASN 89 -19.386 38.613 -1.715 713 HA ASN 89 HA ASN 89 -18.973 38.536 -3.949 714 HB2 ASN 89 2HB ASN 89 -16.742 39.761 -2.870 715 HB3 ASN 89 1HB ASN 89 -16.049 38.456 -3.829 716 HD21 ASN 89 1HD2 ASN 89 -15.781 41.232 -4.334 717 HD22 ASN 89 2HD2 ASN 89 -16.509 41.558 -5.865 718 H SER 90 H SER 90 -19.734 36.456 -4.254 719 HA SER 90 HA SER 90 -17.727 34.305 -4.220 720 HB2 SER 90 2HB SER 90 -19.973 32.907 -4.475 721 HB3 SER 90 1HB SER 90 -19.417 33.468 -2.898 722 HG SER 90 HG SER 90 -21.208 34.935 -4.532 723 H VAL 91 H VAL 91 -17.597 32.861 -5.988 724 HA VAL 91 HA VAL 91 -18.335 34.104 -8.529 725 HB VAL 91 HB VAL 91 -16.842 32.314 -9.507 726 HG11 VAL 91 1HG1 VAL 91 -16.167 34.684 -8.969 727 HG12 VAL 91 2HG1 VAL 91 -14.851 33.515 -9.058 728 HG13 VAL 91 3HG1 VAL 91 -15.445 34.053 -7.488 729 HG21 VAL 91 3HG2 VAL 91 -15.410 31.048 -8.098 730 HG22 VAL 91 1HG2 VAL 91 -17.050 30.814 -7.495 731 HG23 VAL 91 2HG2 VAL 91 -15.952 31.912 -6.660 732 H ALA 92 H ALA 92 -18.932 31.230 -6.620 733 HA ALA 92 HA ALA 92 -21.288 30.626 -8.133 734 HB1 ALA 92 1HB ALA 92 -20.258 28.159 -8.415 735 HB2 ALA 92 2HB ALA 92 -18.796 29.123 -8.625 736 HB3 ALA 92 3HB ALA 92 -20.188 29.393 -9.674 737 H ALA 93 H ALA 93 -22.267 28.483 -7.311 738 HA ALA 93 HA ALA 93 -22.064 28.530 -4.400 739 HB1 ALA 93 1HB ALA 93 -24.157 27.194 -4.481 740 HB2 ALA 93 2HB ALA 93 -24.101 27.285 -6.241 741 HB3 ALA 93 3HB ALA 93 -24.285 28.758 -5.287 742 H ARG 94 H ARG 94 -21.855 26.244 -7.097 743 HA ARG 94 HA ARG 94 -21.307 23.985 -5.440 744 HB2 ARG 94 2HB ARG 94 -22.082 24.294 -8.032 745 HB3 ARG 94 1HB ARG 94 -20.383 23.891 -8.236 746 HG2 ARG 94 2HG ARG 94 -20.697 21.755 -7.663 747 HG3 ARG 94 1HG ARG 94 -21.784 22.170 -6.336 748 HD2 ARG 94 2HD ARG 94 -23.156 21.008 -7.811 749 HD3 ARG 94 1HD ARG 94 -23.495 22.697 -8.185 750 HE ARG 94 HE ARG 94 -22.677 22.337 -10.280 751 HH11 ARG 94 1HH1 ARG 94 -21.446 19.835 -8.183 752 HH12 ARG 94 2HH1 ARG 94 -20.687 18.957 -9.468 753 HH21 ARG 94 1HH2 ARG 94 -21.679 21.185 -11.972 754 HH22 ARG 94 2HH2 ARG 94 -20.820 19.724 -11.620 755 H SER 95 H SER 95 -19.516 23.880 -4.256 756 HA SER 95 HA SER 95 -17.134 25.287 -4.823 757 HB2 SER 95 2HB SER 95 -16.634 23.019 -3.117 758 HB3 SER 95 1HB SER 95 -16.669 24.733 -2.703 759 HG SER 95 HG SER 95 -18.764 24.580 -2.163 760 HA PRO 96 HA PRO 96 -15.239 21.043 -6.158 761 HB2 PRO 96 2HB PRO 96 -16.988 18.995 -6.604 762 HB3 PRO 96 1HB PRO 96 -16.175 19.265 -5.058 763 HG2 PRO 96 2HG PRO 96 -18.947 20.018 -5.901 764 HG3 PRO 96 1HG PRO 96 -18.392 19.329 -4.363 765 HD2 PRO 96 2HD PRO 96 -18.934 21.954 -4.642 766 HD3 PRO 96 1HD PRO 96 -17.643 21.367 -3.575 767 H GLU 97 H GLU 97 -14.679 21.030 -8.239 768 HA GLU 97 HA GLU 97 -16.317 22.185 -10.235 769 HB2 GLU 97 2HB GLU 97 -13.628 21.622 -9.969 770 HB3 GLU 97 1HB GLU 97 -14.134 20.508 -11.232 771 HG2 GLU 97 2HG GLU 97 -13.988 22.155 -12.693 772 HG3 GLU 97 1HG GLU 97 -15.302 22.981 -11.857 773 H LYS 98 H LYS 98 -15.209 18.829 -9.768 774 HA LYS 98 HA LYS 98 -17.319 17.948 -11.617 775 HB2 LYS 98 2HB LYS 98 -14.703 17.314 -11.689 776 HB3 LYS 98 1HB LYS 98 -15.284 16.022 -10.648 777 HG2 LYS 98 2HG LYS 98 -17.097 15.756 -12.528 778 HG3 LYS 98 1HG LYS 98 -15.874 16.561 -13.511 779 HD2 LYS 98 2HD LYS 98 -14.375 14.821 -13.312 780 HD3 LYS 98 1HD LYS 98 -15.077 14.253 -11.795 781 HE2 LYS 98 2HE LYS 98 -15.884 12.635 -13.172 782 HE3 LYS 98 1HE LYS 98 -17.168 13.825 -13.382 783 HZ1 LYS 98 3HZ LYS 98 -16.712 13.486 -15.543 784 HZ2 LYS 98 1HZ LYS 98 -15.136 12.942 -15.257 785 HZ3 LYS 98 2HZ LYS 98 -15.469 14.600 -15.271 786 H ALA 99 H ALA 99 -19.003 16.796 -10.907 787 HA ALA 99 HA ALA 99 -18.970 15.032 -8.713 788 HB1 ALA 99 1HB ALA 99 -20.029 16.203 -6.992 789 HB2 ALA 99 2HB ALA 99 -20.497 17.530 -8.055 790 HB3 ALA 99 3HB ALA 99 -18.809 17.330 -7.584 791 H SER 100 H SER 100 -20.656 13.677 -8.884 792 HA SER 100 HA SER 100 -22.928 14.529 -10.560 793 HB2 SER 100 2HB SER 100 -21.358 11.990 -10.484 794 HB3 SER 100 1HB SER 100 -23.077 11.894 -10.861 795 HG SER 100 HG SER 100 -21.327 13.676 -12.189 796 H ASN 101 H ASN 101 -24.559 14.971 -9.217 797 HA ASN 101 HA ASN 101 -25.126 13.060 -7.046 798 HB2 ASN 101 2HB ASN 101 -25.141 15.998 -7.151 799 HB3 ASN 101 1HB ASN 101 -26.573 15.299 -6.400 800 HD21 ASN 101 1HD2 ASN 101 -26.154 15.864 -4.332 801 HD22 ASN 101 2HD2 ASN 101 -24.814 15.270 -3.420 802 H MET 102 H MET 102 -27.538 13.125 -6.416 803 HA MET 102 HA MET 102 -29.391 13.658 -8.552 804 HB2 MET 102 2HB MET 102 -28.193 11.340 -8.938 805 HB3 MET 102 1HB MET 102 -29.319 10.791 -7.705 806 HG2 MET 102 2HG MET 102 -30.554 10.356 -9.551 807 HG3 MET 102 1HG MET 102 -31.068 12.015 -9.253 808 HE1 MET 102 3HE MET 102 -29.242 10.159 -12.787 809 HE2 MET 102 1HE MET 102 -30.964 10.510 -12.646 810 HE3 MET 102 2HE MET 102 -30.158 9.539 -11.414 811 H GLU 103 H GLU 103 -29.060 14.456 -5.810 812 HA GLU 103 HA GLU 103 -30.326 14.855 -3.965 813 HB2 GLU 103 2HB GLU 103 -32.521 13.558 -5.590 814 HB3 GLU 103 1HB GLU 103 -32.757 14.481 -4.113 815 HG2 GLU 103 2HG GLU 103 -31.337 16.223 -5.671 816 HG3 GLU 103 1HG GLU 103 -32.343 15.387 -6.852 817 H ASN 104 H ASN 104 -30.656 13.869 -2.028 818 HA ASN 104 HA ASN 104 -31.138 10.991 -1.951 819 HB2 ASN 104 2HB ASN 104 -29.263 10.725 -0.287 820 HB3 ASN 104 1HB ASN 104 -28.745 11.042 -1.940 821 HD21 ASN 104 1HD2 ASN 104 -28.078 13.197 -2.474 822 HD22 ASN 104 2HD2 ASN 104 -27.398 14.214 -1.253 823 H ASN 105 H ASN 105 -30.543 13.922 -0.033 824 HA ASN 105 HA ASN 105 -32.897 13.325 1.568 825 HB2 ASN 105 2HB ASN 105 -30.149 13.044 2.546 826 HB3 ASN 105 1HB ASN 105 -31.140 14.105 3.543 827 HD21 ASN 105 1HD2 ASN 105 -30.030 11.424 4.051 828 HD22 ASN 105 2HD2 ASN 105 -31.382 10.440 4.484 829 H GLU 106 H GLU 106 -33.564 15.189 0.273 830 HA GLU 106 HA GLU 106 -32.565 17.722 1.402 831 HB2 GLU 106 2HB GLU 106 -32.195 17.213 -1.112 832 HB3 GLU 106 1HB GLU 106 -33.919 17.525 -1.275 833 HG2 GLU 106 2HG GLU 106 -33.598 19.712 -1.249 834 HG3 GLU 106 1HG GLU 106 -32.655 19.617 0.238 Start of MODEL 14 1 H1 GLY 1 1HT GLY 1 -34.765 -42.492 7.905 2 H2 GLY 1 2HT GLY 1 -34.452 -43.969 8.670 3 H3 GLY 1 3HT GLY 1 -33.267 -43.254 7.697 4 HA2 GLY 1 1HA GLY 1 -34.021 -42.674 10.442 5 HA3 GLY 1 2HA GLY 1 -32.448 -42.568 9.666 6 HA PRO 2 HA PRO 2 -34.762 -38.356 9.883 7 HB2 PRO 2 2HB PRO 2 -34.033 -37.402 12.307 8 HB3 PRO 2 1HB PRO 2 -35.502 -38.353 12.063 9 HG2 PRO 2 2HG PRO 2 -32.837 -39.223 13.105 10 HG3 PRO 2 1HG PRO 2 -34.456 -39.637 13.694 11 HD2 PRO 2 2HD PRO 2 -32.989 -41.296 12.121 12 HD3 PRO 2 1HD PRO 2 -34.762 -41.258 12.090 13 H GLY 3 H GLY 3 -31.666 -39.129 11.477 14 HA2 GLY 3 2HA GLY 3 -29.534 -38.380 11.018 15 HA3 GLY 3 1HA GLY 3 -30.165 -37.647 9.550 16 H SER 4 H SER 4 -30.005 -37.202 13.067 17 HA SER 4 HA SER 4 -30.740 -34.457 12.998 18 HB2 SER 4 2HB SER 4 -29.433 -34.650 15.347 19 HB3 SER 4 1HB SER 4 -31.082 -35.233 15.117 20 HG SER 4 HG SER 4 -28.686 -36.746 15.009 21 H LEU 5 H LEU 5 -27.610 -36.105 13.370 22 HA LEU 5 HA LEU 5 -26.112 -33.671 13.339 23 HB2 LEU 5 2HB LEU 5 -25.343 -36.570 13.088 24 HB3 LEU 5 1HB LEU 5 -24.162 -35.277 12.992 25 HG LEU 5 HG LEU 5 -25.405 -34.638 15.320 26 HD11 LEU 5 1HD1 LEU 5 -26.049 -36.473 16.555 27 HD12 LEU 5 2HD1 LEU 5 -25.177 -37.607 15.524 28 HD13 LEU 5 3HD1 LEU 5 -26.679 -36.877 14.958 29 HD21 LEU 5 3HD2 LEU 5 -23.064 -36.482 14.876 30 HD22 LEU 5 1HD2 LEU 5 -23.470 -35.746 16.425 31 HD23 LEU 5 2HD2 LEU 5 -23.025 -34.728 15.056 32 H SER 6 H SER 6 -25.645 -32.475 11.625 33 HA SER 6 HA SER 6 -26.240 -33.340 8.972 34 HB2 SER 6 2HB SER 6 -25.375 -30.849 10.277 35 HB3 SER 6 1HB SER 6 -24.767 -31.055 8.635 36 HG SER 6 HG SER 6 -26.675 -30.322 8.122 37 H ASN 7 H ASN 7 -23.162 -31.983 10.135 38 HA ASN 7 HA ASN 7 -21.758 -34.111 8.661 39 HB2 ASN 7 2HB ASN 7 -21.193 -31.146 8.646 40 HB3 ASN 7 1HB ASN 7 -20.007 -32.342 8.130 41 HD21 ASN 7 1HD2 ASN 7 -22.729 -30.517 7.265 42 HD22 ASN 7 2HD2 ASN 7 -22.969 -31.177 5.687 43 H PHE 8 H PHE 8 -20.875 -31.364 10.758 44 HA PHE 8 HA PHE 8 -19.652 -33.269 12.629 45 HB2 PHE 8 2HB PHE 8 -17.697 -31.770 12.868 46 HB3 PHE 8 1HB PHE 8 -17.836 -32.433 11.243 47 HD1 PHE 8 1HD PHE 8 -18.509 -31.013 9.375 48 HD2 PHE 8 2HD PHE 8 -17.962 -29.428 13.287 49 HE1 PHE 8 1HE PHE 8 -18.436 -28.738 8.439 50 HE2 PHE 8 2HE PHE 8 -17.888 -27.151 12.359 51 HZ PHE 8 HZ PHE 8 -18.125 -26.803 9.932 52 H ALA 9 H ALA 9 -19.375 -32.456 14.784 53 HA ALA 9 HA ALA 9 -21.258 -30.279 15.408 54 HB1 ALA 9 1HB ALA 9 -21.089 -31.470 17.758 55 HB2 ALA 9 2HB ALA 9 -20.612 -32.846 16.763 56 HB3 ALA 9 3HB ALA 9 -22.172 -32.066 16.500 57 H ASN 10 H ASN 10 -20.749 -28.993 17.348 58 HA ASN 10 HA ASN 10 -17.921 -28.288 17.349 59 HB2 ASN 10 2HB ASN 10 -20.062 -26.695 17.228 60 HB3 ASN 10 1HB ASN 10 -19.895 -26.770 18.980 61 HD21 ASN 10 1HD2 ASN 10 -18.858 -25.081 19.723 62 HD22 ASN 10 2HD2 ASN 10 -17.504 -24.303 18.984 63 H VAL 11 H VAL 11 -16.822 -29.663 18.651 64 HA VAL 11 HA VAL 11 -17.485 -29.579 21.499 65 HB VAL 11 HB VAL 11 -16.944 -32.017 21.704 66 HG11 VAL 11 1HG1 VAL 11 -19.138 -32.599 21.533 67 HG12 VAL 11 2HG1 VAL 11 -19.320 -31.875 19.934 68 HG13 VAL 11 3HG1 VAL 11 -19.308 -30.850 21.371 69 HG21 VAL 11 3HG2 VAL 11 -16.139 -33.118 19.952 70 HG22 VAL 11 1HG2 VAL 11 -16.377 -31.705 18.923 71 HG23 VAL 11 2HG2 VAL 11 -17.674 -32.884 19.116 72 H GLY 12 H GLY 12 -15.747 -29.064 22.655 73 HA2 GLY 12 2HA GLY 12 -13.232 -30.201 22.506 74 HA3 GLY 12 1HA GLY 12 -13.182 -28.802 21.445 75 H VAL 13 H VAL 13 -11.487 -28.847 23.538 76 HA VAL 13 HA VAL 13 -12.677 -27.389 25.758 77 HB VAL 13 HB VAL 13 -9.771 -28.097 25.335 78 HG11 VAL 13 1HG1 VAL 13 -9.348 -27.279 27.391 79 HG12 VAL 13 2HG1 VAL 13 -10.899 -27.812 28.038 80 HG13 VAL 13 3HG1 VAL 13 -10.802 -26.325 27.094 81 HG21 VAL 13 3HG2 VAL 13 -10.106 -30.172 26.129 82 HG22 VAL 13 1HG2 VAL 13 -11.767 -29.923 25.593 83 HG23 VAL 13 2HG2 VAL 13 -11.334 -29.643 27.279 84 H GLY 14 H GLY 14 -10.483 -26.838 23.053 85 HA2 GLY 14 2HA GLY 14 -10.411 -24.704 21.964 86 HA3 GLY 14 1HA GLY 14 -10.795 -23.948 23.503 87 H THR 15 H THR 15 -9.175 -23.172 24.714 88 HA THR 15 HA THR 15 -7.078 -22.565 25.351 89 HB THR 15 HB THR 15 -6.079 -25.176 24.236 90 HG1 THR 15 1HG THR 15 -6.768 -26.139 26.158 91 HG21 THR 15 3HG2 THR 15 -4.226 -24.436 25.226 92 HG22 THR 15 1HG2 THR 15 -5.036 -24.875 26.729 93 HG23 THR 15 2HG2 THR 15 -5.092 -23.211 26.151 94 H SER 16 H SER 16 -4.920 -21.968 24.550 95 HA SER 16 HA SER 16 -4.991 -21.517 21.644 96 HB2 SER 16 2HB SER 16 -3.586 -19.564 22.039 97 HB3 SER 16 1HB SER 16 -5.019 -19.483 23.065 98 HG SER 16 HG SER 16 -3.703 -20.331 24.771 99 H SER 17 H SER 17 -3.720 -22.843 20.536 100 HA SER 17 HA SER 17 -1.605 -24.332 21.706 101 HB2 SER 17 2HB SER 17 -1.160 -25.106 19.411 102 HB3 SER 17 1HB SER 17 -2.882 -25.178 19.787 103 HG SER 17 HG SER 17 -3.210 -23.350 18.570 104 H GLY 18 H GLY 18 -1.330 -22.137 18.912 105 HA2 GLY 18 2HA GLY 18 0.764 -20.600 20.139 106 HA3 GLY 18 1HA GLY 18 1.373 -21.741 18.950 107 H LYS 19 H LYS 19 0.675 -21.533 16.748 108 HA LYS 19 HA LYS 19 0.295 -20.343 14.848 109 HB2 LYS 19 2HB LYS 19 -1.801 -19.450 16.720 110 HB3 LYS 19 1HB LYS 19 -1.492 -18.356 15.379 111 HG2 LYS 19 2HG LYS 19 -1.868 -21.259 14.824 112 HG3 LYS 19 1HG LYS 19 -3.275 -20.253 15.174 113 HD2 LYS 19 2HD LYS 19 -2.959 -18.935 13.286 114 HD3 LYS 19 1HD LYS 19 -1.257 -19.381 13.141 115 HE2 LYS 19 2HE LYS 19 -3.283 -21.536 12.884 116 HE3 LYS 19 1HE LYS 19 -3.131 -20.391 11.551 117 HZ1 LYS 19 3HZ LYS 19 -1.215 -22.377 12.524 118 HZ2 LYS 19 1HZ LYS 19 -0.601 -20.940 11.877 119 HZ3 LYS 19 2HZ LYS 19 -1.597 -21.933 10.938 120 H GLN 20 H GLN 20 0.415 -18.095 13.872 121 HA GLN 20 HA GLN 20 1.957 -16.229 15.519 122 HB2 GLN 20 2HB GLN 20 3.486 -17.788 14.207 123 HB3 GLN 20 1HB GLN 20 2.875 -17.009 12.754 124 HG2 GLN 20 2HG GLN 20 4.038 -15.111 13.113 125 HG3 GLN 20 1HG GLN 20 3.882 -15.216 14.866 126 HE21 GLN 20 1HE2 GLN 20 5.298 -16.618 16.009 127 HE22 GLN 20 2HE2 GLN 20 6.837 -17.046 15.349 128 H LYS 21 H LYS 21 -0.747 -16.144 14.548 129 HA LYS 21 HA LYS 21 -0.546 -13.756 12.844 130 HB2 LYS 21 2HB LYS 21 -1.734 -16.215 12.129 131 HB3 LYS 21 1HB LYS 21 -3.059 -15.101 12.433 132 HG2 LYS 21 2HG LYS 21 -2.684 -14.730 10.211 133 HG3 LYS 21 1HG LYS 21 -1.654 -13.490 10.926 134 HD2 LYS 21 2HD LYS 21 0.047 -14.348 9.772 135 HD3 LYS 21 1HD LYS 21 -0.058 -15.780 10.798 136 HE2 LYS 21 2HE LYS 21 -1.974 -15.644 8.558 137 HE3 LYS 21 1HE LYS 21 -0.280 -15.837 8.114 138 HZ1 LYS 21 3HZ LYS 21 -0.214 -17.741 9.698 139 HZ2 LYS 21 1HZ LYS 21 -1.215 -17.987 8.355 140 HZ3 LYS 21 2HZ LYS 21 -1.894 -17.611 9.858 141 H ARG 22 H ARG 22 -0.771 -12.367 14.585 142 HA ARG 22 HA ARG 22 -3.360 -12.491 15.988 143 HB2 ARG 22 2HB ARG 22 -0.623 -11.937 16.932 144 HB3 ARG 22 1HB ARG 22 -1.853 -10.842 17.545 145 HG2 ARG 22 2HG ARG 22 -2.766 -13.562 17.716 146 HG3 ARG 22 1HG ARG 22 -1.198 -13.383 18.503 147 HD2 ARG 22 2HD ARG 22 -2.012 -11.710 19.959 148 HD3 ARG 22 1HD ARG 22 -3.484 -11.500 19.014 149 HE ARG 22 HE ARG 22 -4.410 -13.288 20.110 150 HH11 ARG 22 1HH1 ARG 22 -0.972 -13.242 20.704 151 HH12 ARG 22 2HH1 ARG 22 -1.037 -14.484 21.910 152 HH21 ARG 22 1HH2 ARG 22 -4.499 -14.920 21.696 153 HH22 ARG 22 2HH2 ARG 22 -3.040 -15.436 22.472 154 H TYR 23 H TYR 23 -4.611 -11.189 14.740 155 HA TYR 23 HA TYR 23 -5.471 -9.277 13.863 156 HB2 TYR 23 2HB TYR 23 -4.016 -8.481 16.200 157 HB3 TYR 23 1HB TYR 23 -3.842 -7.235 14.970 158 HD1 TYR 23 2HD TYR 23 -5.777 -5.984 14.182 159 HD2 TYR 23 1HD TYR 23 -6.175 -8.970 17.186 160 HE1 TYR 23 2HE TYR 23 -8.010 -5.117 14.739 161 HE2 TYR 23 1HE TYR 23 -8.410 -8.114 17.749 162 HH TYR 23 HH TYR 23 -10.068 -5.865 15.784 163 H LYS 24 H LYS 24 -3.291 -10.622 12.518 164 HA LYS 24 HA LYS 24 -1.918 -8.388 11.192 165 HB2 LYS 24 2HB LYS 24 -1.301 -11.300 11.508 166 HB3 LYS 24 1HB LYS 24 -0.636 -10.423 10.139 167 HG2 LYS 24 2HG LYS 24 0.873 -9.359 11.396 168 HG3 LYS 24 1HG LYS 24 -0.276 -9.065 12.702 169 HD2 LYS 24 2HD LYS 24 0.099 -11.782 12.832 170 HD3 LYS 24 1HD LYS 24 1.700 -11.193 12.381 171 HE2 LYS 24 2HE LYS 24 0.153 -9.934 14.620 172 HE3 LYS 24 1HE LYS 24 1.119 -11.387 14.883 173 HZ1 LYS 24 3HZ LYS 24 2.873 -9.846 13.607 174 HZ2 LYS 24 1HZ LYS 24 2.721 -9.883 15.292 175 HZ3 LYS 24 2HZ LYS 24 1.974 -8.654 14.402 176 H PHE 25 H PHE 25 -4.450 -8.379 10.482 177 HA PHE 25 HA PHE 25 -5.250 -10.065 8.400 178 HB2 PHE 25 2HB PHE 25 -6.210 -7.662 9.650 179 HB3 PHE 25 1HB PHE 25 -6.391 -7.543 7.904 180 HD1 PHE 25 1HD PHE 25 -7.446 -9.654 6.755 181 HD2 PHE 25 2HD PHE 25 -7.858 -8.683 10.877 182 HE1 PHE 25 1HE PHE 25 -9.472 -11.044 6.876 183 HE2 PHE 25 2HE PHE 25 -9.885 -10.071 11.007 184 HZ PHE 25 HZ PHE 25 -10.695 -11.254 9.004 185 H SER 26 H SER 26 -5.339 -9.718 6.132 186 HA SER 26 HA SER 26 -2.912 -8.644 5.054 187 HB2 SER 26 2HB SER 26 -3.959 -9.259 2.844 188 HB3 SER 26 1HB SER 26 -3.852 -10.597 3.990 189 HG SER 26 HG SER 26 -5.953 -10.059 2.779 190 H ALA 27 H ALA 27 -3.930 -6.621 6.346 191 HA ALA 27 HA ALA 27 -4.032 -4.481 4.669 192 HB1 ALA 27 1HB ALA 27 -6.649 -5.815 4.910 193 HB2 ALA 27 2HB ALA 27 -6.024 -4.759 3.641 194 HB3 ALA 27 3HB ALA 27 -6.660 -4.066 5.133 195 H SER 28 H SER 28 -5.032 -6.008 7.651 196 HA SER 28 HA SER 28 -5.788 -3.866 9.214 197 HB2 SER 28 2HB SER 28 -4.635 -6.514 9.695 198 HB3 SER 28 1HB SER 28 -4.229 -5.345 10.948 199 HG SER 28 HG SER 28 -6.236 -6.502 11.283 200 H GLU 29 H GLU 29 -2.641 -4.638 7.967 201 HA GLU 29 HA GLU 29 -0.925 -3.315 9.659 202 HB2 GLU 29 2HB GLU 29 0.430 -2.821 7.565 203 HB3 GLU 29 1HB GLU 29 0.020 -4.506 7.852 204 HG2 GLU 29 2HG GLU 29 -0.686 -4.536 5.747 205 HG3 GLU 29 1HG GLU 29 -2.081 -3.624 6.323 206 H ASP 30 H ASP 30 -2.811 -1.900 6.995 207 HA ASP 30 HA ASP 30 -1.877 0.717 7.192 208 HB2 ASP 30 2HB ASP 30 -3.604 -0.497 5.544 209 HB3 ASP 30 1HB ASP 30 -4.763 0.317 6.590 210 H GLU 31 H GLU 31 -4.413 -0.953 8.966 211 HA GLU 31 HA GLU 31 -5.399 1.306 10.355 212 HB2 GLU 31 2HB GLU 31 -6.558 -0.928 10.106 213 HB3 GLU 31 1HB GLU 31 -5.450 -1.557 11.318 214 HG2 GLU 31 2HG GLU 31 -6.909 -0.923 12.853 215 HG3 GLU 31 1HG GLU 31 -6.498 0.746 12.460 216 H ALA 32 H ALA 32 -2.706 -0.844 10.852 217 HA ALA 32 HA ALA 32 -2.204 -0.167 13.565 218 HB1 ALA 32 1HB ALA 32 -0.821 -1.663 11.444 219 HB2 ALA 32 2HB ALA 32 -1.043 -2.053 13.149 220 HB3 ALA 32 3HB ALA 32 0.228 -0.933 12.659 221 H ILE 33 H ILE 33 -1.148 1.132 10.470 222 HA ILE 33 HA ILE 33 0.806 2.905 11.490 223 HB ILE 33 HB ILE 33 -0.825 3.486 9.034 224 HG12 ILE 33 2HG1 ILE 33 1.438 1.508 9.353 225 HG13 ILE 33 1HG1 ILE 33 -0.195 1.190 8.777 226 HG21 ILE 33 1HG2 ILE 33 2.102 3.951 9.479 227 HG22 ILE 33 2HG2 ILE 33 0.882 5.096 10.035 228 HG23 ILE 33 3HG2 ILE 33 1.022 4.723 8.318 229 HD11 ILE 33 3HD1 ILE 33 0.977 3.182 7.119 230 HD12 ILE 33 1HD1 ILE 33 0.452 1.554 6.696 231 HD13 ILE 33 2HD1 ILE 33 2.097 1.827 7.269 232 H ILE 34 H ILE 34 -2.575 3.411 10.556 233 HA ILE 34 HA ILE 34 -2.736 6.107 11.230 234 HB ILE 34 HB ILE 34 -4.481 5.039 9.936 235 HG12 ILE 34 2HG1 ILE 34 -6.370 5.639 11.939 236 HG13 ILE 34 1HG1 ILE 34 -4.985 6.675 12.263 237 HG21 ILE 34 1HG2 ILE 34 -5.085 3.502 12.452 238 HG22 ILE 34 2HG2 ILE 34 -4.456 2.856 10.938 239 HG23 ILE 34 3HG2 ILE 34 -6.092 3.509 11.004 240 HD11 ILE 34 3HD1 ILE 34 -5.092 7.591 10.046 241 HD12 ILE 34 1HD1 ILE 34 -6.678 7.716 10.809 242 HD13 ILE 34 2HD1 ILE 34 -6.375 6.463 9.605 243 H LYS 35 H LYS 35 -3.164 3.216 13.200 244 HA LYS 35 HA LYS 35 -4.063 4.559 15.533 245 HB2 LYS 35 2HB LYS 35 -3.999 1.977 14.845 246 HB3 LYS 35 1HB LYS 35 -2.508 2.030 15.775 247 HG2 LYS 35 2HG LYS 35 -3.583 2.338 17.747 248 HG3 LYS 35 1HG LYS 35 -4.912 3.234 17.011 249 HD2 LYS 35 2HD LYS 35 -5.950 1.248 16.246 250 HD3 LYS 35 1HD LYS 35 -4.512 0.282 16.584 251 HE2 LYS 35 2HE LYS 35 -4.893 0.265 18.859 252 HE3 LYS 35 1HE LYS 35 -5.862 1.738 18.813 253 HZ1 LYS 35 3HZ LYS 35 -7.547 0.283 19.012 254 HZ2 LYS 35 1HZ LYS 35 -6.661 -1.020 18.393 255 HZ3 LYS 35 2HZ LYS 35 -7.361 0.104 17.340 256 H GLY 36 H GLY 36 -0.907 3.592 14.319 257 HA2 GLY 36 2HA GLY 36 0.602 4.299 16.597 258 HA3 GLY 36 1HA GLY 36 1.221 4.168 14.956 259 H LEU 37 H LEU 37 -0.080 6.094 13.606 260 HA LEU 37 HA LEU 37 1.307 8.424 14.283 261 HB2 LEU 37 2HB LEU 37 -0.918 7.775 12.401 262 HB3 LEU 37 1HB LEU 37 -0.537 9.460 12.700 263 HG LEU 37 HG LEU 37 1.616 9.262 11.759 264 HD11 LEU 37 1HD1 LEU 37 2.672 7.169 11.167 265 HD12 LEU 37 2HD1 LEU 37 1.254 6.269 11.706 266 HD13 LEU 37 3HD1 LEU 37 2.233 7.155 12.875 267 HD21 LEU 37 3HD2 LEU 37 1.183 8.577 9.532 268 HD22 LEU 37 1HD2 LEU 37 -0.343 9.185 10.174 269 HD23 LEU 37 2HD2 LEU 37 -0.069 7.447 10.049 270 H ALA 38 H ALA 38 -1.877 7.284 15.167 271 HA ALA 38 HA ALA 38 -2.911 9.743 16.109 272 HB1 ALA 38 1HB ALA 38 -4.257 7.704 15.578 273 HB2 ALA 38 2HB ALA 38 -4.646 8.455 17.125 274 HB3 ALA 38 3HB ALA 38 -3.663 6.992 17.080 275 H ARG 39 H ARG 39 -0.835 7.318 17.534 276 HA ARG 39 HA ARG 39 -0.800 8.879 20.036 277 HB2 ARG 39 2HB ARG 39 -1.128 6.067 19.580 278 HB3 ARG 39 1HB ARG 39 0.360 6.330 20.477 279 HG2 ARG 39 2HG ARG 39 -0.879 6.431 22.310 280 HG3 ARG 39 1HG ARG 39 -1.490 7.977 21.724 281 HD2 ARG 39 2HD ARG 39 -3.326 6.849 20.601 282 HD3 ARG 39 1HD ARG 39 -2.698 5.283 21.111 283 HE ARG 39 HE ARG 39 -3.703 5.600 23.129 284 HH11 ARG 39 1HH1 ARG 39 -3.333 8.714 21.592 285 HH12 ARG 39 2HH1 ARG 39 -4.204 9.564 22.822 286 HH21 ARG 39 1HH2 ARG 39 -4.850 6.720 24.749 287 HH22 ARG 39 2HH2 ARG 39 -5.064 8.434 24.614 288 H PHE 40 H PHE 40 0.796 9.286 17.566 289 HA PHE 40 HA PHE 40 3.351 9.573 18.853 290 HB2 PHE 40 2HB PHE 40 2.996 7.630 16.568 291 HB3 PHE 40 1HB PHE 40 4.557 8.327 16.980 292 HD1 PHE 40 1HD PHE 40 5.156 8.136 19.566 293 HD2 PHE 40 2HD PHE 40 2.492 5.575 17.456 294 HE1 PHE 40 1HE PHE 40 5.508 6.382 21.256 295 HE2 PHE 40 2HE PHE 40 2.836 3.819 19.143 296 HZ PHE 40 HZ PHE 40 4.346 4.221 21.047 297 H THR 41 H THR 41 4.648 9.719 16.097 298 HA THR 41 HA THR 41 5.244 11.451 14.750 299 HB THR 41 HB THR 41 3.579 10.552 13.328 300 HG1 THR 41 1HG THR 41 2.960 13.305 13.563 301 HG21 THR 41 3HG2 THR 41 1.520 12.013 14.959 302 HG22 THR 41 1HG2 THR 41 1.729 10.266 14.835 303 HG23 THR 41 2HG2 THR 41 1.216 11.195 13.427 304 H LYS 42 H LYS 42 5.976 12.833 16.381 305 HA LYS 42 HA LYS 42 4.342 15.254 16.647 306 HB2 LYS 42 2HB LYS 42 5.989 14.169 18.931 307 HB3 LYS 42 1HB LYS 42 4.833 15.494 18.968 308 HG2 LYS 42 2HG LYS 42 3.013 14.089 18.987 309 HG3 LYS 42 1HG LYS 42 3.899 12.759 18.236 310 HD2 LYS 42 2HD LYS 42 4.696 13.728 20.950 311 HD3 LYS 42 1HD LYS 42 3.297 12.667 20.777 312 HE2 LYS 42 2HE LYS 42 4.651 10.980 19.712 313 HE3 LYS 42 1HE LYS 42 6.050 12.056 19.709 314 HZ1 LYS 42 3HZ LYS 42 4.833 11.559 22.301 315 HZ2 LYS 42 1HZ LYS 42 6.467 11.659 21.870 316 HZ3 LYS 42 2HZ LYS 42 5.604 10.232 21.588 317 H GLY 43 H GLY 43 6.713 14.317 15.030 318 HA2 GLY 43 2HA GLY 43 8.149 16.241 14.252 319 HA3 GLY 43 1HA GLY 43 8.668 16.337 15.927 320 H GLN 44 H GLN 44 10.346 15.940 13.640 321 HA GLN 44 HA GLN 44 12.198 14.746 13.089 322 HB2 GLN 44 2HB GLN 44 11.578 13.841 15.789 323 HB3 GLN 44 1HB GLN 44 12.398 12.608 14.842 324 HG2 GLN 44 2HG GLN 44 13.653 15.176 14.494 325 HG3 GLN 44 1HG GLN 44 13.550 14.744 16.200 326 HE21 GLN 44 1HE2 GLN 44 15.125 13.540 16.972 327 HE22 GLN 44 2HE2 GLN 44 16.188 12.539 16.049 328 H GLN 45 H GLN 45 9.236 13.803 12.552 329 HA GLN 45 HA GLN 45 8.243 12.229 11.253 330 HB2 GLN 45 2HB GLN 45 11.040 12.257 10.408 331 HB3 GLN 45 1HB GLN 45 10.249 10.718 10.096 332 HG2 GLN 45 2HG GLN 45 9.090 11.546 8.396 333 HG3 GLN 45 1HG GLN 45 8.590 12.960 9.321 334 HE21 GLN 45 1HE2 GLN 45 9.885 12.255 6.549 335 HE22 GLN 45 2HE2 GLN 45 11.055 13.514 6.365 336 H ARG 46 H ARG 46 7.240 10.903 12.654 337 HA ARG 46 HA ARG 46 8.751 8.786 13.985 338 HB2 ARG 46 2HB ARG 46 6.003 9.926 14.340 339 HB3 ARG 46 1HB ARG 46 6.401 8.353 15.010 340 HG2 ARG 46 2HG ARG 46 8.315 10.497 15.623 341 HG3 ARG 46 1HG ARG 46 6.706 10.684 16.326 342 HD2 ARG 46 2HD ARG 46 7.582 9.400 17.964 343 HD3 ARG 46 1HD ARG 46 7.139 8.091 16.868 344 HE ARG 46 HE ARG 46 9.367 7.696 16.481 345 HH11 ARG 46 1HH1 ARG 46 9.016 10.769 18.103 346 HH12 ARG 46 2HH1 ARG 46 10.714 10.954 18.386 347 HH21 ARG 46 1HH2 ARG 46 11.601 7.940 16.852 348 HH22 ARG 46 2HH2 ARG 46 12.182 9.349 17.676 349 H PHE 47 H PHE 47 6.574 9.275 11.356 350 HA PHE 47 HA PHE 47 5.213 6.950 11.044 351 HB2 PHE 47 2HB PHE 47 6.700 8.254 8.765 352 HB3 PHE 47 1HB PHE 47 5.194 7.349 8.684 353 HD1 PHE 47 1HD PHE 47 3.123 8.328 9.648 354 HD2 PHE 47 2HD PHE 47 6.727 10.557 9.269 355 HE1 PHE 47 1HE PHE 47 1.851 10.420 9.902 356 HE2 PHE 47 2HE PHE 47 5.462 12.653 9.523 357 HZ PHE 47 HZ PHE 47 3.021 12.585 9.841 358 H GLN 48 H GLN 48 8.638 7.440 10.256 359 HA GLN 48 HA GLN 48 9.009 4.847 9.157 360 HB2 GLN 48 2HB GLN 48 10.477 7.049 9.024 361 HB3 GLN 48 1HB GLN 48 11.281 6.325 10.410 362 HG2 GLN 48 2HG GLN 48 11.460 4.225 8.935 363 HG3 GLN 48 1HG GLN 48 11.106 5.321 7.600 364 HE21 GLN 48 1HE2 GLN 48 12.527 7.205 7.378 365 HE22 GLN 48 2HE2 GLN 48 14.196 7.032 7.788 366 H GLN 49 H GLN 49 9.826 6.240 12.336 367 HA GLN 49 HA GLN 49 10.929 3.948 13.479 368 HB2 GLN 49 2HB GLN 49 10.628 6.471 14.326 369 HB3 GLN 49 1HB GLN 49 9.307 5.730 15.220 370 HG2 GLN 49 2HG GLN 49 10.814 5.229 16.766 371 HG3 GLN 49 1HG GLN 49 11.403 4.001 15.648 372 HE21 GLN 49 1HE2 GLN 49 12.538 5.681 13.725 373 HE22 GLN 49 2HE2 GLN 49 13.922 6.449 14.416 374 H ILE 50 H ILE 50 7.579 5.133 13.626 375 HA ILE 50 HA ILE 50 6.524 3.052 15.156 376 HB ILE 50 HB ILE 50 5.336 5.171 14.655 377 HG12 ILE 50 2HG1 ILE 50 4.226 3.002 15.445 378 HG13 ILE 50 1HG1 ILE 50 3.176 4.245 14.776 379 HG21 ILE 50 1HG2 ILE 50 4.051 5.327 12.540 380 HG22 ILE 50 2HG2 ILE 50 4.943 3.928 11.941 381 HG23 ILE 50 3HG2 ILE 50 5.798 5.424 12.321 382 HD11 ILE 50 3HD1 ILE 50 3.961 2.566 12.643 383 HD12 ILE 50 1HD1 ILE 50 2.363 2.763 13.360 384 HD13 ILE 50 2HD1 ILE 50 3.465 1.537 13.985 385 H TYR 51 H TYR 51 7.078 3.332 11.692 386 HA TYR 51 HA TYR 51 5.675 1.094 10.814 387 HB2 TYR 51 2HB TYR 51 6.856 2.862 9.401 388 HB3 TYR 51 1HB TYR 51 8.332 1.939 9.671 389 HD1 TYR 51 2HD TYR 51 8.019 -0.692 9.170 390 HD2 TYR 51 1HD TYR 51 5.711 2.440 7.458 391 HE1 TYR 51 2HE TYR 51 7.438 -2.159 7.285 392 HE2 TYR 51 1HE TYR 51 5.123 0.985 5.565 393 HH TYR 51 HH TYR 51 5.931 -0.986 4.439 394 H TYR 52 H TYR 52 9.029 1.369 11.894 395 HA TYR 52 HA TYR 52 9.712 -1.338 11.570 396 HB2 TYR 52 2HB TYR 52 10.827 0.870 13.285 397 HB3 TYR 52 1HB TYR 52 11.491 -0.760 13.343 398 HD1 TYR 52 1HD TYR 52 11.496 -1.613 10.577 399 HD2 TYR 52 2HD TYR 52 12.365 2.219 12.208 400 HE1 TYR 52 1HE TYR 52 12.907 -1.109 8.627 401 HE2 TYR 52 2HE TYR 52 13.778 2.734 10.262 402 HH TYR 52 HH TYR 52 14.748 0.358 8.016 403 H ALA 53 H ALA 53 8.171 0.403 14.199 404 HA ALA 53 HA ALA 53 8.407 -1.610 16.162 405 HB1 ALA 53 1HB ALA 53 6.651 0.774 15.814 406 HB2 ALA 53 2HB ALA 53 7.858 0.440 17.055 407 HB3 ALA 53 3HB ALA 53 6.301 -0.389 17.093 408 H TYR 54 H TYR 54 5.689 -0.781 14.028 409 HA TYR 54 HA TYR 54 4.226 -3.126 14.816 410 HB2 TYR 54 2HB TYR 54 2.433 -2.205 13.768 411 HB3 TYR 54 1HB TYR 54 3.398 -0.745 13.920 412 HD1 TYR 54 2HD TYR 54 2.265 -3.367 11.590 413 HD2 TYR 54 1HD TYR 54 4.277 0.359 11.986 414 HE1 TYR 54 2HE TYR 54 2.148 -3.054 9.155 415 HE2 TYR 54 1HE TYR 54 4.165 0.684 9.551 416 HH TYR 54 HH TYR 54 2.207 -0.686 7.600 417 H ARG 55 H ARG 55 6.879 -2.868 12.959 418 HA ARG 55 HA ARG 55 6.374 -4.150 10.564 419 HB2 ARG 55 2HB ARG 55 8.563 -3.170 11.367 420 HB3 ARG 55 1HB ARG 55 8.806 -4.652 12.277 421 HG2 ARG 55 2HG ARG 55 8.175 -5.419 9.643 422 HG3 ARG 55 1HG ARG 55 9.353 -4.112 9.529 423 HD2 ARG 55 2HD ARG 55 9.771 -6.391 11.427 424 HD3 ARG 55 1HD ARG 55 10.188 -6.552 9.724 425 HE ARG 55 HE ARG 55 11.855 -4.907 9.998 426 HH11 ARG 55 1HH1 ARG 55 10.257 -5.696 13.008 427 HH12 ARG 55 2HH1 ARG 55 11.505 -5.008 13.988 428 HH21 ARG 55 1HH2 ARG 55 13.489 -4.008 11.293 429 HH22 ARG 55 2HH2 ARG 55 13.336 -4.052 13.018 430 H SER 56 H SER 56 6.337 -5.447 13.777 431 HA SER 56 HA SER 56 6.763 -8.162 13.227 432 HB2 SER 56 2HB SER 56 5.125 -6.807 15.378 433 HB3 SER 56 1HB SER 56 5.436 -8.543 15.340 434 HG SER 56 HG SER 56 6.979 -6.654 16.333 435 H VAL 57 H VAL 57 4.030 -6.102 12.680 436 HA VAL 57 HA VAL 57 2.090 -8.186 12.404 437 HB VAL 57 HB VAL 57 2.012 -5.335 11.400 438 HG11 VAL 57 1HG1 VAL 57 -0.391 -5.635 11.227 439 HG12 VAL 57 2HG1 VAL 57 -0.241 -7.309 11.761 440 HG13 VAL 57 3HG1 VAL 57 0.446 -6.811 10.214 441 HG21 VAL 57 3HG2 VAL 57 2.080 -5.041 13.662 442 HG22 VAL 57 1HG2 VAL 57 1.363 -6.616 14.002 443 HG23 VAL 57 2HG2 VAL 57 0.349 -5.287 13.444 444 H TRP 58 H TRP 58 3.137 -5.873 9.911 445 HA TRP 58 HA TRP 58 2.958 -8.055 7.952 446 HB2 TRP 58 2HB TRP 58 1.697 -5.615 7.935 447 HB3 TRP 58 1HB TRP 58 3.094 -5.313 6.907 448 HD1 TRP 58 HD TRP 58 2.106 -5.368 4.533 449 HE1 TRP 58 1HE TRP 58 0.739 -7.062 3.161 450 HE3 TRP 58 3HE TRP 58 1.105 -8.771 8.213 451 HZ2 TRP 58 2HZ TRP 58 -0.589 -9.517 3.584 452 HZ3 TRP 58 3HZ TRP 58 -0.221 -10.764 7.647 453 HH2 TRP 58 HH TRP 58 -1.051 -11.128 5.380 454 H HIS 59 H HIS 59 4.455 -7.850 6.062 455 HA HIS 59 HA HIS 59 6.914 -6.405 6.481 456 HB2 HIS 59 2HB HIS 59 7.090 -8.526 7.880 457 HB3 HIS 59 1HB HIS 59 7.085 -9.415 6.359 458 HD1 HIS 59 1HD HIS 59 8.885 -6.582 5.455 459 HD2 HIS 59 2HD HIS 59 9.774 -9.834 7.883 460 HE1 HIS 59 1HE HIS 59 11.397 -6.669 5.568 461 HE2 HIS 59 2HE HIS 59 11.911 -8.698 6.972 462 HA PRO 60 HA PRO 60 5.446 -7.273 2.063 463 HB2 PRO 60 2HB PRO 60 6.184 -4.398 1.911 464 HB3 PRO 60 1HB PRO 60 4.783 -5.238 1.237 465 HG2 PRO 60 2HG PRO 60 4.534 -3.670 3.378 466 HG3 PRO 60 1HG PRO 60 3.622 -5.185 3.243 467 HD2 PRO 60 2HD PRO 60 6.060 -4.578 4.862 468 HD3 PRO 60 1HD PRO 60 4.656 -5.585 5.269 469 H ALA 61 H ALA 61 6.798 -6.024 0.092 470 HA ALA 61 HA ALA 61 9.401 -7.208 0.278 471 HB1 ALA 61 1HB ALA 61 8.458 -7.417 -1.835 472 HB2 ALA 61 2HB ALA 61 9.627 -6.113 -2.049 473 HB3 ALA 61 3HB ALA 61 7.913 -5.740 -1.866 474 H ARG 62 H ARG 62 8.094 -3.955 0.390 475 HA ARG 62 HA ARG 62 10.723 -2.984 1.247 476 HB2 ARG 62 2HB ARG 62 9.438 -2.315 -1.228 477 HB3 ARG 62 1HB ARG 62 9.503 -0.881 -0.212 478 HG2 ARG 62 2HG ARG 62 11.708 -0.657 -0.473 479 HG3 ARG 62 1HG ARG 62 12.004 -2.382 -0.262 480 HD2 ARG 62 2HD ARG 62 10.904 -2.508 -2.658 481 HD3 ARG 62 1HD ARG 62 11.446 -0.832 -2.743 482 HE ARG 62 HE ARG 62 13.545 -1.626 -3.087 483 HH11 ARG 62 1HH1 ARG 62 11.754 -4.056 -1.337 484 HH12 ARG 62 2HH1 ARG 62 13.056 -5.196 -1.337 485 HH21 ARG 62 1HH2 ARG 62 15.260 -3.126 -3.091 486 HH22 ARG 62 2HH2 ARG 62 15.047 -4.670 -2.333 487 H THR 63 H THR 63 10.649 -1.642 2.958 488 HA THR 63 HA THR 63 7.990 -0.936 3.979 489 HB THR 63 HB THR 63 9.168 -0.586 6.147 490 HG1 THR 63 1HG THR 63 11.250 -0.185 5.094 491 HG21 THR 63 3HG2 THR 63 9.556 -2.861 6.704 492 HG22 THR 63 1HG2 THR 63 9.824 -3.291 5.014 493 HG23 THR 63 2HG2 THR 63 8.216 -2.811 5.559 494 H VAL 64 H VAL 64 7.944 1.133 5.292 495 HA VAL 64 HA VAL 64 8.104 3.390 5.441 496 HB VAL 64 HB VAL 64 10.684 3.055 3.907 497 HG11 VAL 64 1HG1 VAL 64 11.146 5.347 4.962 498 HG12 VAL 64 2HG1 VAL 64 9.398 5.453 5.174 499 HG13 VAL 64 3HG1 VAL 64 10.082 5.289 3.556 500 HG21 VAL 64 3HG2 VAL 64 10.339 3.642 6.834 501 HG22 VAL 64 1HG2 VAL 64 11.789 3.109 5.985 502 HG23 VAL 64 2HG2 VAL 64 10.440 1.996 6.209 503 H SER 65 H SER 65 9.123 2.315 2.202 504 HA SER 65 HA SER 65 8.100 4.481 0.773 505 HB2 SER 65 2HB SER 65 8.074 2.940 -1.180 506 HB3 SER 65 1HB SER 65 9.587 2.856 -0.277 507 HG SER 65 HG SER 65 8.269 0.827 -0.929 508 H GLN 66 H GLN 66 6.618 1.402 1.689 509 HA GLN 66 HA GLN 66 4.110 1.873 0.478 510 HB2 GLN 66 2HB GLN 66 5.239 -0.255 1.741 511 HB3 GLN 66 1HB GLN 66 4.130 0.305 2.984 512 HG2 GLN 66 2HG GLN 66 2.900 -1.265 1.802 513 HG3 GLN 66 1HG GLN 66 2.352 0.278 1.150 514 HE21 GLN 66 1HE2 GLN 66 4.926 -2.099 0.566 515 HE22 GLN 66 2HE2 GLN 66 4.774 -2.093 -1.154 516 H LEU 67 H LEU 67 5.469 2.620 3.624 517 HA LEU 67 HA LEU 67 3.218 3.528 4.975 518 HB2 LEU 67 2HB LEU 67 5.679 3.248 5.750 519 HB3 LEU 67 1HB LEU 67 5.881 4.895 5.188 520 HG LEU 67 HG LEU 67 5.499 4.806 7.601 521 HD11 LEU 67 1HD1 LEU 67 4.732 6.742 6.268 522 HD12 LEU 67 2HD1 LEU 67 3.784 6.480 7.732 523 HD13 LEU 67 3HD1 LEU 67 3.135 5.998 6.165 524 HD21 LEU 67 3HD2 LEU 67 3.784 2.766 7.071 525 HD22 LEU 67 1HD2 LEU 67 2.667 4.097 7.382 526 HD23 LEU 67 2HD2 LEU 67 3.865 3.647 8.598 527 H TYR 68 H TYR 68 5.488 5.319 2.952 528 HA TYR 68 HA TYR 68 4.164 7.795 3.109 529 HB2 TYR 68 2HB TYR 68 6.018 6.657 1.010 530 HB3 TYR 68 1HB TYR 68 5.458 8.326 1.016 531 HD1 TYR 68 1HD TYR 68 5.942 7.048 4.329 532 HD2 TYR 68 2HD TYR 68 7.991 8.741 0.998 533 HE1 TYR 68 1HE TYR 68 7.811 7.668 5.797 534 HE2 TYR 68 2HE TYR 68 9.864 9.363 2.463 535 HH TYR 68 HH TYR 68 10.813 8.533 4.693 536 H ASP 69 H ASP 69 3.645 4.936 1.202 537 HA ASP 69 HA ASP 69 2.050 6.079 -0.822 538 HB2 ASP 69 2HB ASP 69 2.882 3.449 -0.034 539 HB3 ASP 69 1HB ASP 69 1.151 3.434 -0.356 540 H HIS 70 H HIS 70 1.164 4.489 2.236 541 HA HIS 70 HA HIS 70 -1.623 5.122 1.851 542 HB2 HIS 70 2HB HIS 70 -1.000 4.540 4.614 543 HB3 HIS 70 1HB HIS 70 -2.008 3.644 3.488 544 HD1 HIS 70 1HD HIS 70 1.208 3.561 5.222 545 HD2 HIS 70 2HD HIS 70 -0.561 1.628 2.000 546 HE1 HIS 70 1HE HIS 70 2.611 1.522 4.817 547 HE2 HIS 70 2HE HIS 70 1.458 0.303 2.933 548 H TRP 71 H TRP 71 1.129 6.537 3.393 549 HA TRP 71 HA TRP 71 -0.321 8.430 4.963 550 HB2 TRP 71 2HB TRP 71 1.944 7.726 5.579 551 HB3 TRP 71 1HB TRP 71 2.573 8.398 4.080 552 HD1 TRP 71 HD TRP 71 3.916 10.485 4.701 553 HE1 TRP 71 1HE TRP 71 3.542 12.539 6.205 554 HE3 TRP 71 3HE TRP 71 -0.563 9.164 6.786 555 HZ2 TRP 71 2HZ TRP 71 1.606 13.477 8.032 556 HZ3 TRP 71 3HZ TRP 71 -1.609 10.696 8.402 557 HH2 TRP 71 HH TRP 71 -0.545 12.807 9.012 558 H ARG 72 H ARG 72 0.919 8.311 1.698 559 HA ARG 72 HA ARG 72 0.642 11.138 1.235 560 HB2 ARG 72 2HB ARG 72 1.306 8.760 -0.451 561 HB3 ARG 72 1HB ARG 72 0.791 10.243 -1.243 562 HG2 ARG 72 2HG ARG 72 2.702 11.073 0.590 563 HG3 ARG 72 1HG ARG 72 3.341 9.565 -0.067 564 HD2 ARG 72 2HD ARG 72 2.222 11.644 -1.901 565 HD3 ARG 72 1HD ARG 72 3.853 11.823 -1.259 566 HE ARG 72 HE ARG 72 3.041 10.088 -3.341 567 HH11 ARG 72 1HH1 ARG 72 5.180 10.244 -0.588 568 HH12 ARG 72 2HH1 ARG 72 6.317 9.117 -1.247 569 HH21 ARG 72 1HH2 ARG 72 4.536 8.605 -4.211 570 HH22 ARG 72 2HH2 ARG 72 5.951 8.187 -3.306 571 H GLY 73 H GLY 73 -1.229 8.229 0.565 572 HA2 GLY 73 2HA GLY 73 -3.263 9.564 -0.932 573 HA3 GLY 73 1HA GLY 73 -3.362 7.945 -0.258 574 H THR 74 H THR 74 -2.729 8.961 2.461 575 HA THR 74 HA THR 74 -5.432 9.525 3.249 576 HB THR 74 HB THR 74 -4.287 9.720 5.562 577 HG1 THR 74 1HG THR 74 -2.186 10.012 5.009 578 HG21 THR 74 3HG2 THR 74 -3.584 7.106 5.213 579 HG22 THR 74 1HG2 THR 74 -4.764 7.361 3.928 580 HG23 THR 74 2HG2 THR 74 -5.200 7.693 5.603 581 H LEU 75 H LEU 75 -2.350 11.294 3.395 582 HA LEU 75 HA LEU 75 -3.771 13.805 3.163 583 HB2 LEU 75 2HB LEU 75 -2.327 12.971 5.650 584 HB3 LEU 75 1HB LEU 75 -2.357 14.661 5.186 585 HG LEU 75 HG LEU 75 -4.815 12.974 5.656 586 HD11 LEU 75 1HD1 LEU 75 -4.873 13.632 7.810 587 HD12 LEU 75 2HD1 LEU 75 -4.135 15.196 7.467 588 HD13 LEU 75 3HD1 LEU 75 -3.126 13.755 7.597 589 HD21 LEU 75 3HD2 LEU 75 -4.403 15.898 5.072 590 HD22 LEU 75 1HD2 LEU 75 -5.903 15.239 5.723 591 HD23 LEU 75 2HD2 LEU 75 -5.330 14.724 4.138 592 H ARG 76 H ARG 76 -2.548 13.644 1.151 593 HA ARG 76 HA ARG 76 0.302 13.687 1.170 594 HB2 ARG 76 2HB ARG 76 -1.646 13.318 -0.754 595 HB3 ARG 76 1HB ARG 76 -0.961 14.878 -1.182 596 HG2 ARG 76 2HG ARG 76 1.260 13.902 -1.282 597 HG3 ARG 76 1HG ARG 76 0.609 12.339 -0.787 598 HD2 ARG 76 2HD ARG 76 -0.134 13.832 -3.302 599 HD3 ARG 76 1HD ARG 76 0.979 12.469 -3.211 600 HE ARG 76 HE ARG 76 -1.824 12.180 -2.371 601 HH11 ARG 76 1HH1 ARG 76 0.841 11.214 -4.424 602 HH12 ARG 76 2HH1 ARG 76 0.017 9.823 -5.038 603 HH21 ARG 76 1HH2 ARG 76 -2.896 10.353 -3.185 604 HH22 ARG 76 2HH2 ARG 76 -2.100 9.335 -4.338 605 H TYR 77 H TYR 77 1.701 15.361 1.188 606 HA TYR 77 HA TYR 77 0.642 18.090 1.021 607 HB2 TYR 77 2HB TYR 77 1.182 16.969 3.452 608 HB3 TYR 77 1HB TYR 77 2.729 17.718 3.070 609 HD1 TYR 77 1HD TYR 77 2.202 20.196 1.853 610 HD2 TYR 77 2HD TYR 77 -0.064 18.260 4.889 611 HE1 TYR 77 1HE TYR 77 1.330 22.376 2.585 612 HE2 TYR 77 2HE TYR 77 -0.943 20.435 5.628 613 HH TYR 77 HH TYR 77 -0.864 23.151 3.857 614 H LYS 78 H LYS 78 1.626 18.143 -1.050 615 HA LYS 78 HA LYS 78 4.570 18.249 -0.984 616 HB2 LYS 78 2HB LYS 78 3.254 16.538 -2.490 617 HB3 LYS 78 1HB LYS 78 3.044 17.935 -3.538 618 HG2 LYS 78 2HG LYS 78 5.572 18.210 -3.403 619 HG3 LYS 78 1HG LYS 78 5.591 16.583 -2.721 620 HD2 LYS 78 2HD LYS 78 4.006 16.214 -4.889 621 HD3 LYS 78 1HD LYS 78 5.089 17.478 -5.479 622 HE2 LYS 78 2HE LYS 78 5.932 14.846 -4.271 623 HE3 LYS 78 1HE LYS 78 5.947 15.244 -5.988 624 HZ1 LYS 78 3HZ LYS 78 8.102 15.674 -5.408 625 HZ2 LYS 78 1HZ LYS 78 7.712 16.194 -3.845 626 HZ3 LYS 78 2HZ LYS 78 7.426 17.206 -5.169 627 H VAL 79 H VAL 79 1.772 19.627 -2.715 628 HA VAL 79 HA VAL 79 3.090 22.249 -2.597 629 HB VAL 79 HB VAL 79 2.176 22.711 -4.909 630 HG11 VAL 79 1HG1 VAL 79 4.139 22.038 -5.930 631 HG12 VAL 79 2HG1 VAL 79 4.201 20.516 -5.043 632 HG13 VAL 79 3HG1 VAL 79 4.588 22.029 -4.226 633 HG21 VAL 79 3HG2 VAL 79 2.029 20.504 -6.278 634 HG22 VAL 79 1HG2 VAL 79 0.625 21.057 -5.364 635 HG23 VAL 79 2HG2 VAL 79 1.649 19.773 -4.718 636 H ILE 80 H ILE 80 0.080 20.519 -3.364 637 HA ILE 80 HA ILE 80 -1.403 22.708 -2.064 638 HB ILE 80 HB ILE 80 -2.409 21.105 -4.418 639 HG12 ILE 80 2HG1 ILE 80 -1.900 24.007 -4.698 640 HG13 ILE 80 1HG1 ILE 80 -0.467 22.989 -4.598 641 HG21 ILE 80 1HG2 ILE 80 -3.942 23.317 -4.314 642 HG22 ILE 80 2HG2 ILE 80 -3.588 23.101 -2.600 643 HG23 ILE 80 3HG2 ILE 80 -4.353 21.801 -3.513 644 HD11 ILE 80 3HD1 ILE 80 -0.780 22.977 -6.842 645 HD12 ILE 80 1HD1 ILE 80 -2.529 23.166 -6.712 646 HD13 ILE 80 2HD1 ILE 80 -1.787 21.594 -6.415 647 H GLN 81 H GLN 81 -3.111 22.127 -0.753 648 HA GLN 81 HA GLN 81 -2.992 19.592 0.472 649 HB2 GLN 81 2HB GLN 81 -4.226 22.067 0.990 650 HB3 GLN 81 1HB GLN 81 -5.530 20.888 0.927 651 HG2 GLN 81 2HG GLN 81 -3.242 19.961 2.463 652 HG3 GLN 81 1HG GLN 81 -3.946 21.446 3.099 653 HE21 GLN 81 1HE2 GLN 81 -3.924 18.526 3.941 654 HE22 GLN 81 2HE2 GLN 81 -5.582 18.182 4.282 655 H GLN 82 H GLN 82 -3.220 18.097 -1.256 656 HA GLN 82 HA GLN 82 -4.361 16.585 -2.514 657 HB2 GLN 82 2HB GLN 82 -5.799 16.715 -0.326 658 HB3 GLN 82 1HB GLN 82 -6.961 17.529 -1.365 659 HG2 GLN 82 2HG GLN 82 -7.546 15.637 -2.404 660 HG3 GLN 82 1HG GLN 82 -5.888 15.043 -2.475 661 HE21 GLN 82 1HE2 GLN 82 -5.000 14.392 -0.274 662 HE22 GLN 82 2HE2 GLN 82 -6.054 13.458 0.726 663 H GLN 83 H GLN 83 -5.553 16.405 -4.447 664 HA GLN 83 HA GLN 83 -6.676 18.909 -5.497 665 HB2 GLN 83 2HB GLN 83 -4.842 17.067 -7.042 666 HB3 GLN 83 1HB GLN 83 -5.577 18.550 -7.639 667 HG2 GLN 83 2HG GLN 83 -3.958 19.802 -6.786 668 HG3 GLN 83 1HG GLN 83 -4.072 19.009 -5.215 669 HE21 GLN 83 1HE2 GLN 83 -2.053 19.639 -7.697 670 HE22 GLN 83 2HE2 GLN 83 -0.941 18.329 -7.523 671 H GLY 84 H GLY 84 -8.746 18.000 -5.101 672 HA2 GLY 84 2HA GLY 84 -9.513 16.012 -7.136 673 HA3 GLY 84 1HA GLY 84 -10.043 15.821 -5.472 674 H TYR 85 H TYR 85 -12.110 15.814 -6.900 675 HA TYR 85 HA TYR 85 -13.085 18.575 -7.194 676 HB2 TYR 85 2HB TYR 85 -13.087 16.878 -9.172 677 HB3 TYR 85 1HB TYR 85 -14.484 16.185 -8.355 678 HD1 TYR 85 1HD TYR 85 -16.462 17.734 -7.867 679 HD2 TYR 85 2HD TYR 85 -13.330 18.743 -10.564 680 HE1 TYR 85 1HE TYR 85 -17.915 19.417 -8.915 681 HE2 TYR 85 2HE TYR 85 -14.775 20.430 -11.620 682 HH TYR 85 HH TYR 85 -16.987 21.844 -10.621 683 H ARG 86 H ARG 86 -14.391 19.275 -5.651 684 HA ARG 86 HA ARG 86 -15.910 19.341 -3.959 685 HB2 ARG 86 2HB ARG 86 -17.143 18.000 -5.921 686 HB3 ARG 86 1HB ARG 86 -17.107 16.726 -4.708 687 HG2 ARG 86 2HG ARG 86 -19.141 17.733 -4.316 688 HG3 ARG 86 1HG ARG 86 -18.095 18.526 -3.135 689 HD2 ARG 86 2HD ARG 86 -18.275 20.530 -4.138 690 HD3 ARG 86 1HD ARG 86 -18.191 19.838 -5.758 691 HE ARG 86 HE ARG 86 -20.562 20.470 -4.262 692 HH11 ARG 86 1HH1 ARG 86 -19.233 18.495 -6.815 693 HH12 ARG 86 2HH1 ARG 86 -20.760 18.256 -7.595 694 HH21 ARG 86 1HH2 ARG 86 -22.571 20.156 -5.286 695 HH22 ARG 86 2HH2 ARG 86 -22.655 19.199 -6.728 696 H GLY 87 H GLY 87 -14.129 18.965 -2.487 697 HA2 GLY 87 2HA GLY 87 -13.557 16.312 -1.561 698 HA3 GLY 87 1HA GLY 87 -12.988 17.812 -0.843 699 H LYS 88 H LYS 88 -15.630 15.504 -0.960 700 HA LYS 88 HA LYS 88 -16.207 15.840 1.796 701 HB2 LYS 88 2HB LYS 88 -17.302 17.872 0.569 702 HB3 LYS 88 1HB LYS 88 -18.506 16.692 0.072 703 HG2 LYS 88 2HG LYS 88 -17.984 16.495 2.899 704 HG3 LYS 88 1HG LYS 88 -18.437 18.139 2.449 705 HD2 LYS 88 2HD LYS 88 -20.067 16.033 1.211 706 HD3 LYS 88 1HD LYS 88 -20.197 16.128 2.968 707 HE2 LYS 88 2HE LYS 88 -20.334 18.758 2.249 708 HE3 LYS 88 1HE LYS 88 -21.156 17.971 0.901 709 HZ1 LYS 88 3HZ LYS 88 -22.369 18.645 3.163 710 HZ2 LYS 88 1HZ LYS 88 -21.911 17.065 3.556 711 HZ3 LYS 88 2HZ LYS 88 -22.872 17.353 2.195 712 H ASN 89 H ASN 89 -18.142 14.530 2.456 713 HA ASN 89 HA ASN 89 -19.239 12.540 2.501 714 HB2 ASN 89 2HB ASN 89 -20.023 13.738 0.190 715 HB3 ASN 89 1HB ASN 89 -19.359 12.233 -0.436 716 HD21 ASN 89 1HD2 ASN 89 -21.664 12.015 -1.069 717 HD22 ASN 89 2HD2 ASN 89 -22.737 11.267 0.059 718 H SER 90 H SER 90 -17.542 11.313 3.304 719 HA SER 90 HA SER 90 -16.034 9.761 1.301 720 HB2 SER 90 2HB SER 90 -15.041 9.880 4.097 721 HB3 SER 90 1HB SER 90 -14.143 9.876 2.580 722 HG SER 90 HG SER 90 -14.884 12.074 2.304 723 H VAL 91 H VAL 91 -15.978 7.559 1.463 724 HA VAL 91 HA VAL 91 -17.235 6.263 3.757 725 HB VAL 91 HB VAL 91 -18.637 4.838 2.292 726 HG11 VAL 91 1HG1 VAL 91 -19.382 7.024 3.433 727 HG12 VAL 91 2HG1 VAL 91 -20.426 6.321 2.199 728 HG13 VAL 91 3HG1 VAL 91 -19.392 7.695 1.803 729 HG21 VAL 91 3HG2 VAL 91 -17.346 6.489 0.216 730 HG22 VAL 91 1HG2 VAL 91 -19.067 6.169 -0.005 731 HG23 VAL 91 2HG2 VAL 91 -17.933 4.827 0.145 732 H ALA 92 H ALA 92 -16.828 3.962 3.853 733 HA ALA 92 HA ALA 92 -15.030 2.740 1.980 734 HB1 ALA 92 1HB ALA 92 -13.193 3.664 2.923 735 HB2 ALA 92 2HB ALA 92 -13.402 2.342 4.071 736 HB3 ALA 92 3HB ALA 92 -13.995 3.955 4.466 737 H ALA 93 H ALA 93 -14.156 0.589 3.062 738 HA ALA 93 HA ALA 93 -16.465 -0.638 4.418 739 HB1 ALA 93 1HB ALA 93 -15.473 -1.342 2.019 740 HB2 ALA 93 2HB ALA 93 -16.278 -2.469 3.111 741 HB3 ALA 93 3HB ALA 93 -14.517 -2.391 3.066 742 H ARG 94 H ARG 94 -15.712 -0.123 6.512 743 HA ARG 94 HA ARG 94 -14.668 -0.558 8.483 744 HB2 ARG 94 2HB ARG 94 -14.106 -3.037 6.913 745 HB3 ARG 94 1HB ARG 94 -13.268 -2.798 8.440 746 HG2 ARG 94 2HG ARG 94 -15.034 -3.694 9.434 747 HG3 ARG 94 1HG ARG 94 -15.918 -2.224 9.021 748 HD2 ARG 94 2HD ARG 94 -17.089 -3.236 7.383 749 HD3 ARG 94 1HD ARG 94 -15.714 -4.208 6.861 750 HE ARG 94 HE ARG 94 -16.461 -5.278 9.267 751 HH11 ARG 94 1HH1 ARG 94 -18.049 -4.682 6.217 752 HH12 ARG 94 2HH1 ARG 94 -19.135 -6.023 6.378 753 HH21 ARG 94 1HH2 ARG 94 -17.887 -7.041 9.481 754 HH22 ARG 94 2HH2 ARG 94 -19.043 -7.361 8.232 755 H SER 95 H SER 95 -12.188 -2.043 6.431 756 HA SER 95 HA SER 95 -10.359 0.132 7.211 757 HB2 SER 95 2HB SER 95 -8.539 -1.625 7.079 758 HB3 SER 95 1HB SER 95 -9.674 -1.817 8.415 759 HG SER 95 HG SER 95 -10.535 -3.546 7.465 760 HA PRO 96 HA PRO 96 -10.550 0.626 2.681 761 HB2 PRO 96 2HB PRO 96 -8.524 2.671 3.458 762 HB3 PRO 96 1HB PRO 96 -9.919 2.821 2.384 763 HG2 PRO 96 2HG PRO 96 -9.983 3.843 4.839 764 HG3 PRO 96 1HG PRO 96 -11.414 3.063 4.140 765 HD2 PRO 96 2HD PRO 96 -9.516 2.045 6.203 766 HD3 PRO 96 1HD PRO 96 -11.266 1.784 6.049 767 H GLU 97 H GLU 97 -8.621 1.022 1.077 768 HA GLU 97 HA GLU 97 -6.112 -0.145 1.873 769 HB2 GLU 97 2HB GLU 97 -8.175 -1.718 0.433 770 HB3 GLU 97 1HB GLU 97 -6.524 -1.857 -0.158 771 HG2 GLU 97 2HG GLU 97 -6.216 -2.132 2.552 772 HG3 GLU 97 1HG GLU 97 -7.753 -2.941 2.247 773 H LYS 98 H LYS 98 -7.834 -0.101 -1.238 774 HA LYS 98 HA LYS 98 -6.540 2.229 -2.205 775 HB2 LYS 98 2HB LYS 98 -5.199 1.003 -3.990 776 HB3 LYS 98 1HB LYS 98 -4.544 0.983 -2.360 777 HG2 LYS 98 2HG LYS 98 -4.381 -1.218 -2.561 778 HG3 LYS 98 1HG LYS 98 -6.142 -1.280 -2.478 779 HD2 LYS 98 2HD LYS 98 -6.271 -1.099 -4.911 780 HD3 LYS 98 1HD LYS 98 -4.511 -1.005 -5.003 781 HE2 LYS 98 2HE LYS 98 -4.452 -3.220 -5.139 782 HE3 LYS 98 1HE LYS 98 -5.078 -3.297 -3.493 783 HZ1 LYS 98 3HZ LYS 98 -7.034 -2.858 -5.602 784 HZ2 LYS 98 1HZ LYS 98 -7.141 -3.808 -4.206 785 HZ3 LYS 98 2HZ LYS 98 -6.313 -4.388 -5.561 786 H ALA 99 H ALA 99 -8.008 -0.873 -3.070 787 HA ALA 99 HA ALA 99 -9.911 0.531 -4.765 788 HB1 ALA 99 1HB ALA 99 -9.369 -0.410 -6.759 789 HB2 ALA 99 2HB ALA 99 -8.721 -1.875 -6.018 790 HB3 ALA 99 3HB ALA 99 -7.761 -0.395 -6.033 791 H SER 100 H SER 100 -8.909 -2.859 -4.284 792 HA SER 100 HA SER 100 -11.304 -3.446 -2.787 793 HB2 SER 100 2HB SER 100 -11.605 -3.585 -5.488 794 HB3 SER 100 1HB SER 100 -11.075 -5.228 -5.132 795 HG SER 100 HG SER 100 -13.468 -4.485 -4.964 796 H ASN 101 H ASN 101 -9.113 -5.355 -4.853 797 HA ASN 101 HA ASN 101 -8.020 -6.618 -2.441 798 HB2 ASN 101 2HB ASN 101 -9.923 -7.943 -3.691 799 HB3 ASN 101 1HB ASN 101 -8.627 -8.334 -4.818 800 HD21 ASN 101 1HD2 ASN 101 -8.138 -10.378 -4.411 801 HD22 ASN 101 2HD2 ASN 101 -7.744 -11.027 -2.860 802 H MET 102 H MET 102 -7.743 -6.865 -5.993 803 HA MET 102 HA MET 102 -4.895 -6.208 -5.750 804 HB2 MET 102 2HB MET 102 -4.443 -7.996 -7.499 805 HB3 MET 102 1HB MET 102 -4.804 -8.566 -5.875 806 HG2 MET 102 2HG MET 102 -6.232 -9.939 -6.893 807 HG3 MET 102 1HG MET 102 -7.280 -8.527 -6.992 808 HE1 MET 102 3HE MET 102 -8.102 -9.970 -10.361 809 HE2 MET 102 1HE MET 102 -8.420 -10.036 -8.628 810 HE3 MET 102 2HE MET 102 -7.310 -11.192 -9.366 811 H GLU 103 H GLU 103 -7.509 -6.885 -8.078 812 HA GLU 103 HA GLU 103 -7.467 -4.384 -9.299 813 HB2 GLU 103 2HB GLU 103 -5.415 -6.249 -10.269 814 HB3 GLU 103 1HB GLU 103 -6.429 -5.577 -11.541 815 HG2 GLU 103 2HG GLU 103 -5.448 -3.588 -11.413 816 HG3 GLU 103 1HG GLU 103 -5.537 -3.561 -9.653 817 H ASN 104 H ASN 104 -9.284 -4.177 -10.459 818 HA ASN 104 HA ASN 104 -10.775 -6.622 -11.086 819 HB2 ASN 104 2HB ASN 104 -11.594 -4.399 -9.768 820 HB3 ASN 104 1HB ASN 104 -12.090 -3.991 -11.407 821 HD21 ASN 104 1HD2 ASN 104 -12.704 -6.549 -12.334 822 HD22 ASN 104 2HD2 ASN 104 -14.107 -7.112 -11.497 823 H ASN 105 H ASN 105 -8.611 -5.858 -12.775 824 HA ASN 105 HA ASN 105 -10.065 -5.116 -15.229 825 HB2 ASN 105 2HB ASN 105 -8.227 -3.537 -14.357 826 HB3 ASN 105 1HB ASN 105 -7.095 -4.785 -14.869 827 HD21 ASN 105 1HD2 ASN 105 -6.144 -3.644 -16.486 828 HD22 ASN 105 2HD2 ASN 105 -6.962 -3.163 -17.930 829 H GLU 106 H GLU 106 -9.872 -7.772 -14.152 830 HA GLU 106 HA GLU 106 -8.390 -9.044 -16.350 831 HB2 GLU 106 2HB GLU 106 -7.748 -9.253 -13.624 832 HB3 GLU 106 1HB GLU 106 -8.538 -10.769 -14.035 833 HG2 GLU 106 2HG GLU 106 -6.498 -9.825 -15.937 834 HG3 GLU 106 1HG GLU 106 -5.912 -10.311 -14.348 Start of MODEL 15 1 H1 GLY 1 1HT GLY 1 15.629 -10.911 21.329 2 H2 GLY 1 2HT GLY 1 14.555 -10.885 22.635 3 H3 GLY 1 3HT GLY 1 14.085 -11.583 21.167 4 HA2 GLY 1 1HA GLY 1 16.405 -12.621 22.663 5 HA3 GLY 1 2HA GLY 1 14.774 -13.130 23.072 6 HA PRO 2 HA PRO 2 15.003 -16.219 19.940 7 HB2 PRO 2 2HB PRO 2 12.441 -16.356 19.057 8 HB3 PRO 2 1HB PRO 2 12.944 -16.963 20.639 9 HG2 PRO 2 2HG PRO 2 11.625 -14.369 19.940 10 HG3 PRO 2 1HG PRO 2 11.282 -15.470 21.286 11 HD2 PRO 2 2HD PRO 2 12.751 -13.216 21.587 12 HD3 PRO 2 1HD PRO 2 13.042 -14.682 22.547 13 H GLY 3 H GLY 3 15.177 -16.538 17.718 14 HA2 GLY 3 2HA GLY 3 14.271 -15.595 15.508 15 HA3 GLY 3 1HA GLY 3 14.921 -14.080 16.116 16 H SER 4 H SER 4 15.900 -17.434 15.445 17 HA SER 4 HA SER 4 18.225 -16.483 14.013 18 HB2 SER 4 2HB SER 4 18.710 -16.750 16.607 19 HB3 SER 4 1HB SER 4 18.848 -18.452 16.171 20 HG SER 4 HG SER 4 20.825 -17.121 16.060 21 H LEU 5 H LEU 5 16.696 -19.349 15.469 22 HA LEU 5 HA LEU 5 17.543 -20.967 13.196 23 HB2 LEU 5 2HB LEU 5 16.612 -21.490 15.944 24 HB3 LEU 5 1HB LEU 5 16.063 -22.644 14.742 25 HG LEU 5 HG LEU 5 18.355 -23.160 14.131 26 HD11 LEU 5 1HD1 LEU 5 19.069 -21.044 16.152 27 HD12 LEU 5 2HD1 LEU 5 19.423 -21.043 14.424 28 HD13 LEU 5 3HD1 LEU 5 20.217 -22.206 15.486 29 HD21 LEU 5 3HD2 LEU 5 17.440 -23.382 16.939 30 HD22 LEU 5 1HD2 LEU 5 19.117 -23.803 16.598 31 HD23 LEU 5 2HD2 LEU 5 17.810 -24.642 15.762 32 H SER 6 H SER 6 14.532 -20.062 14.860 33 HA SER 6 HA SER 6 12.376 -19.937 14.148 34 HB2 SER 6 2HB SER 6 13.235 -18.397 12.473 35 HB3 SER 6 1HB SER 6 13.708 -19.742 11.436 36 HG SER 6 HG SER 6 11.715 -18.859 10.784 37 H ASN 7 H ASN 7 10.757 -21.016 12.518 38 HA ASN 7 HA ASN 7 11.402 -23.884 12.506 39 HB2 ASN 7 2HB ASN 7 8.706 -22.507 12.480 40 HB3 ASN 7 1HB ASN 7 8.961 -24.251 12.498 41 HD21 ASN 7 1HD2 ASN 7 10.908 -24.601 14.307 42 HD22 ASN 7 2HD2 ASN 7 10.399 -24.062 15.867 43 H PHE 8 H PHE 8 11.566 -24.954 10.644 44 HA PHE 8 HA PHE 8 10.932 -23.521 8.171 45 HB2 PHE 8 2HB PHE 8 13.129 -25.060 8.949 46 HB3 PHE 8 1HB PHE 8 12.261 -26.077 7.807 47 HD1 PHE 8 2HD PHE 8 11.817 -25.234 5.507 48 HD2 PHE 8 1HD PHE 8 14.353 -23.176 8.235 49 HE1 PHE 8 2HE PHE 8 12.800 -23.972 3.637 50 HE2 PHE 8 1HE PHE 8 15.339 -21.909 6.371 51 HZ PHE 8 HZ PHE 8 14.562 -22.307 4.068 52 H ALA 9 H ALA 9 8.612 -23.965 8.682 53 HA ALA 9 HA ALA 9 7.811 -26.434 7.341 54 HB1 ALA 9 1HB ALA 9 7.794 -26.750 9.868 55 HB2 ALA 9 2HB ALA 9 6.308 -27.140 9.003 56 HB3 ALA 9 3HB ALA 9 6.440 -25.621 9.889 57 H ASN 10 H ASN 10 7.524 -24.660 5.721 58 HA ASN 10 HA ASN 10 4.804 -23.579 5.954 59 HB2 ASN 10 2HB ASN 10 6.914 -21.932 6.246 60 HB3 ASN 10 1HB ASN 10 6.769 -21.908 4.491 61 HD21 ASN 10 1HD2 ASN 10 5.952 -19.941 4.139 62 HD22 ASN 10 2HD2 ASN 10 4.459 -19.363 4.786 63 H VAL 11 H VAL 11 7.532 -24.220 3.772 64 HA VAL 11 HA VAL 11 5.591 -24.756 1.623 65 HB VAL 11 HB VAL 11 7.171 -22.957 1.091 66 HG11 VAL 11 1HG1 VAL 11 9.017 -24.443 2.471 67 HG12 VAL 11 2HG1 VAL 11 9.373 -23.041 1.462 68 HG13 VAL 11 3HG1 VAL 11 9.514 -24.667 0.794 69 HG21 VAL 11 3HG2 VAL 11 7.333 -23.586 -1.065 70 HG22 VAL 11 1HG2 VAL 11 6.435 -25.002 -0.519 71 HG23 VAL 11 2HG2 VAL 11 8.190 -25.077 -0.674 72 H GLY 12 H GLY 12 5.169 -26.871 1.545 73 HA2 GLY 12 2HA GLY 12 6.578 -28.849 0.535 74 HA3 GLY 12 1HA GLY 12 7.296 -28.793 2.138 75 H VAL 13 H VAL 13 4.835 -28.103 3.497 76 HA VAL 13 HA VAL 13 3.596 -30.760 3.453 77 HB VAL 13 HB VAL 13 3.273 -28.619 5.555 78 HG11 VAL 13 1HG1 VAL 13 2.565 -30.522 6.961 79 HG12 VAL 13 2HG1 VAL 13 2.683 -31.576 5.553 80 HG13 VAL 13 3HG1 VAL 13 1.505 -30.264 5.575 81 HG21 VAL 13 3HG2 VAL 13 5.465 -29.018 5.930 82 HG22 VAL 13 1HG2 VAL 13 5.438 -30.566 5.085 83 HG23 VAL 13 2HG2 VAL 13 4.841 -30.455 6.741 84 H GLY 14 H GLY 14 2.645 -27.332 3.721 85 HA2 GLY 14 2HA GLY 14 0.213 -27.982 2.206 86 HA3 GLY 14 1HA GLY 14 0.055 -27.156 3.749 87 H THR 15 H THR 15 -1.064 -25.627 2.202 88 HA THR 15 HA THR 15 -1.132 -23.748 0.897 89 HB THR 15 HB THR 15 -0.586 -22.699 2.949 90 HG1 THR 15 1HG THR 15 1.329 -21.731 1.100 91 HG21 THR 15 3HG2 THR 15 1.237 -24.052 3.741 92 HG22 THR 15 1HG2 THR 15 1.718 -22.356 3.729 93 HG23 THR 15 2HG2 THR 15 2.288 -23.443 2.462 94 H SER 16 H SER 16 -0.618 -24.551 -1.140 95 HA SER 16 HA SER 16 2.072 -24.887 -2.030 96 HB2 SER 16 2HB SER 16 -0.307 -25.777 -2.953 97 HB3 SER 16 1HB SER 16 -0.046 -24.419 -4.050 98 HG SER 16 HG SER 16 0.857 -26.584 -4.627 99 H SER 17 H SER 17 2.353 -23.696 -4.406 100 HA SER 17 HA SER 17 3.028 -21.778 -5.425 101 HB2 SER 17 2HB SER 17 0.891 -20.405 -3.782 102 HB3 SER 17 1HB SER 17 1.588 -19.849 -5.303 103 HG SER 17 HG SER 17 0.715 -21.887 -6.187 104 H GLY 18 H GLY 18 4.255 -19.830 -5.103 105 HA2 GLY 18 2HA GLY 18 5.250 -19.582 -2.332 106 HA3 GLY 18 1HA GLY 18 6.267 -19.401 -3.754 107 H LYS 19 H LYS 19 4.453 -17.814 -5.281 108 HA LYS 19 HA LYS 19 4.932 -15.259 -3.989 109 HB2 LYS 19 2HB LYS 19 3.921 -15.963 -6.748 110 HB3 LYS 19 1HB LYS 19 4.187 -14.319 -6.182 111 HG2 LYS 19 2HG LYS 19 6.510 -16.015 -5.790 112 HG3 LYS 19 1HG LYS 19 6.013 -15.920 -7.481 113 HD2 LYS 19 2HD LYS 19 5.964 -13.423 -7.225 114 HD3 LYS 19 1HD LYS 19 6.699 -13.637 -5.635 115 HE2 LYS 19 2HE LYS 19 8.293 -15.155 -7.302 116 HE3 LYS 19 1HE LYS 19 7.903 -13.742 -8.281 117 HZ1 LYS 19 3HZ LYS 19 9.086 -12.386 -6.952 118 HZ2 LYS 19 1HZ LYS 19 9.905 -13.808 -6.542 119 HZ3 LYS 19 2HZ LYS 19 8.684 -13.214 -5.533 120 H GLN 20 H GLN 20 3.450 -14.577 -2.585 121 HA GLN 20 HA GLN 20 0.612 -15.085 -3.159 122 HB2 GLN 20 2HB GLN 20 2.105 -14.510 -0.608 123 HB3 GLN 20 1HB GLN 20 0.357 -14.351 -0.708 124 HG2 GLN 20 2HG GLN 20 1.716 -16.885 -1.531 125 HG3 GLN 20 1HG GLN 20 1.362 -16.551 0.163 126 HE21 GLN 20 1HE2 GLN 20 -0.919 -15.960 0.635 127 HE22 GLN 20 2HE2 GLN 20 -2.159 -16.796 -0.228 128 H LYS 21 H LYS 21 -0.832 -13.445 -3.372 129 HA LYS 21 HA LYS 21 0.038 -10.703 -2.868 130 HB2 LYS 21 2HB LYS 21 -0.806 -11.797 -5.541 131 HB3 LYS 21 1HB LYS 21 -0.997 -10.094 -5.151 132 HG2 LYS 21 2HG LYS 21 1.631 -10.706 -4.449 133 HG3 LYS 21 1HG LYS 21 1.352 -11.533 -5.981 134 HD2 LYS 21 2HD LYS 21 1.119 -9.595 -7.139 135 HD3 LYS 21 1HD LYS 21 0.373 -8.748 -5.780 136 HE2 LYS 21 2HE LYS 21 3.300 -9.449 -5.966 137 HE3 LYS 21 1HE LYS 21 2.620 -7.879 -6.392 138 HZ1 LYS 21 3HZ LYS 21 1.638 -8.182 -3.946 139 HZ2 LYS 21 1HZ LYS 21 3.125 -7.436 -4.257 140 HZ3 LYS 21 2HZ LYS 21 3.075 -9.056 -3.774 141 H ARG 22 H ARG 22 -1.835 -12.429 -1.537 142 HA ARG 22 HA ARG 22 -4.315 -10.917 -2.028 143 HB2 ARG 22 2HB ARG 22 -3.916 -13.840 -1.494 144 HB3 ARG 22 1HB ARG 22 -5.410 -13.055 -0.996 145 HG2 ARG 22 2HG ARG 22 -5.094 -12.218 -3.601 146 HG3 ARG 22 1HG ARG 22 -4.533 -13.889 -3.633 147 HD2 ARG 22 2HD ARG 22 -6.721 -14.353 -3.893 148 HD3 ARG 22 1HD ARG 22 -6.768 -14.151 -2.143 149 HE ARG 22 HE ARG 22 -8.121 -12.358 -2.483 150 HH11 ARG 22 1HH1 ARG 22 -6.169 -12.786 -5.343 151 HH12 ARG 22 2HH1 ARG 22 -6.919 -11.482 -6.202 152 HH21 ARG 22 1HH2 ARG 22 -9.109 -10.644 -3.611 153 HH22 ARG 22 2HH2 ARG 22 -8.588 -10.266 -5.218 154 H TYR 23 H TYR 23 -4.513 -9.511 -0.415 155 HA TYR 23 HA TYR 23 -4.325 -10.509 2.329 156 HB2 TYR 23 2HB TYR 23 -3.201 -8.245 2.899 157 HB3 TYR 23 1HB TYR 23 -2.211 -9.534 2.228 158 HD1 TYR 23 1HD TYR 23 -1.906 -9.490 -0.370 159 HD2 TYR 23 2HD TYR 23 -3.119 -6.133 1.944 160 HE1 TYR 23 1HE TYR 23 -1.171 -7.989 -2.173 161 HE2 TYR 23 2HE TYR 23 -2.387 -4.622 0.149 162 HH TYR 23 HH TYR 23 -2.007 -4.719 -2.298 163 H LYS 24 H LYS 24 -4.943 -7.475 0.539 164 HA LYS 24 HA LYS 24 -6.667 -5.996 0.612 165 HB2 LYS 24 2HB LYS 24 -7.891 -8.602 1.064 166 HB3 LYS 24 1HB LYS 24 -8.810 -7.296 1.798 167 HG2 LYS 24 2HG LYS 24 -9.002 -6.170 -0.314 168 HG3 LYS 24 1HG LYS 24 -7.933 -7.345 -1.081 169 HD2 LYS 24 2HD LYS 24 -9.647 -8.702 -1.493 170 HD3 LYS 24 1HD LYS 24 -10.091 -8.717 0.215 171 HE2 LYS 24 2HE LYS 24 -11.810 -7.335 -0.124 172 HE3 LYS 24 1HE LYS 24 -10.829 -6.230 -1.087 173 HZ1 LYS 24 3HZ LYS 24 -11.117 -8.182 -2.829 174 HZ2 LYS 24 1HZ LYS 24 -12.249 -6.933 -2.682 175 HZ3 LYS 24 2HZ LYS 24 -12.540 -8.429 -1.949 176 H PHE 25 H PHE 25 -7.806 -7.755 3.460 177 HA PHE 25 HA PHE 25 -8.047 -7.118 5.629 178 HB2 PHE 25 2HB PHE 25 -5.446 -6.040 4.809 179 HB3 PHE 25 1HB PHE 25 -6.168 -5.209 6.184 180 HD1 PHE 25 1HD PHE 25 -7.230 -6.928 7.968 181 HD2 PHE 25 2HD PHE 25 -4.035 -7.772 5.288 182 HE1 PHE 25 1HE PHE 25 -6.463 -8.729 9.457 183 HE2 PHE 25 2HE PHE 25 -3.262 -9.577 6.771 184 HZ PHE 25 HZ PHE 25 -4.475 -10.057 8.859 185 H SER 26 H SER 26 -9.351 -5.654 6.699 186 HA SER 26 HA SER 26 -10.490 -3.550 5.149 187 HB2 SER 26 2HB SER 26 -10.910 -3.598 8.095 188 HB3 SER 26 1HB SER 26 -12.087 -3.425 6.793 189 HG SER 26 HG SER 26 -11.575 -5.736 6.367 190 H ALA 27 H ALA 27 -8.138 -2.725 4.860 191 HA ALA 27 HA ALA 27 -6.642 -1.042 5.184 192 HB1 ALA 27 1HB ALA 27 -7.521 0.967 5.720 193 HB2 ALA 27 2HB ALA 27 -8.237 0.371 7.219 194 HB3 ALA 27 3HB ALA 27 -9.049 0.086 5.679 195 H SER 28 H SER 28 -6.838 -3.441 7.000 196 HA SER 28 HA SER 28 -6.258 -2.845 9.639 197 HB2 SER 28 2HB SER 28 -5.468 -5.041 9.848 198 HB3 SER 28 1HB SER 28 -6.565 -5.139 8.472 199 HG SER 28 HG SER 28 -4.069 -5.857 8.516 200 H GLU 29 H GLU 29 -4.288 -2.385 6.841 201 HA GLU 29 HA GLU 29 -1.818 -2.164 8.323 202 HB2 GLU 29 2HB GLU 29 -1.672 -0.854 5.759 203 HB3 GLU 29 1HB GLU 29 -0.836 -2.294 6.316 204 HG2 GLU 29 2HG GLU 29 -1.944 -3.136 4.522 205 HG3 GLU 29 1HG GLU 29 -3.136 -3.441 5.782 206 H ASP 30 H ASP 30 -3.956 0.092 6.598 207 HA ASP 30 HA ASP 30 -2.644 2.446 7.403 208 HB2 ASP 30 2HB ASP 30 -5.577 2.113 6.734 209 HB3 ASP 30 1HB ASP 30 -4.653 3.612 6.685 210 H GLU 31 H GLU 31 -4.966 0.380 8.974 211 HA GLU 31 HA GLU 31 -5.765 2.240 10.977 212 HB2 GLU 31 2HB GLU 31 -6.664 -0.214 10.161 213 HB3 GLU 31 1HB GLU 31 -5.878 -0.614 11.683 214 HG2 GLU 31 2HG GLU 31 -7.326 1.608 12.343 215 HG3 GLU 31 1HG GLU 31 -8.370 0.808 11.170 216 H ALA 32 H ALA 32 -3.113 0.020 10.604 217 HA ALA 32 HA ALA 32 -2.327 0.085 13.359 218 HB1 ALA 32 1HB ALA 32 -1.121 -0.992 10.846 219 HB2 ALA 32 2HB ALA 32 -1.588 -1.841 12.319 220 HB3 ALA 32 3HB ALA 32 -0.133 -0.846 12.300 221 H ILE 33 H ILE 33 -1.467 1.837 10.431 222 HA ILE 33 HA ILE 33 0.737 3.221 11.605 223 HB ILE 33 HB ILE 33 -0.840 4.306 9.294 224 HG12 ILE 33 2HG1 ILE 33 1.185 2.061 9.254 225 HG13 ILE 33 1HG1 ILE 33 -0.500 1.985 8.754 226 HG21 ILE 33 1HG2 ILE 33 2.060 4.423 10.100 227 HG22 ILE 33 2HG2 ILE 33 0.886 5.738 10.150 228 HG23 ILE 33 3HG2 ILE 33 1.411 5.083 8.599 229 HD11 ILE 33 3HD1 ILE 33 1.480 3.782 7.405 230 HD12 ILE 33 1HD1 ILE 33 -0.099 3.253 6.827 231 HD13 ILE 33 2HD1 ILE 33 1.235 2.104 6.922 232 H ILE 34 H ILE 34 -2.680 3.987 11.096 233 HA ILE 34 HA ILE 34 -2.499 6.633 12.075 234 HB ILE 34 HB ILE 34 -4.968 6.497 12.383 235 HG12 ILE 34 2HG1 ILE 34 -5.733 4.219 11.077 236 HG13 ILE 34 1HG1 ILE 34 -4.370 3.639 12.027 237 HG21 ILE 34 1HG2 ILE 34 -5.484 6.418 10.047 238 HG22 ILE 34 2HG2 ILE 34 -4.055 5.440 9.714 239 HG23 ILE 34 3HG2 ILE 34 -3.874 7.114 10.234 240 HD11 ILE 34 3HD1 ILE 34 -6.692 5.157 13.180 241 HD12 ILE 34 1HD1 ILE 34 -5.409 4.327 14.060 242 HD13 ILE 34 2HD1 ILE 34 -6.584 3.397 13.128 243 H LYS 35 H LYS 35 -3.156 3.524 13.593 244 HA LYS 35 HA LYS 35 -3.724 4.634 16.170 245 HB2 LYS 35 2HB LYS 35 -4.354 2.291 15.179 246 HB3 LYS 35 1HB LYS 35 -2.764 1.821 15.765 247 HG2 LYS 35 2HG LYS 35 -3.571 1.543 17.802 248 HG3 LYS 35 1HG LYS 35 -4.106 3.223 17.843 249 HD2 LYS 35 2HD LYS 35 -6.215 2.639 16.858 250 HD3 LYS 35 1HD LYS 35 -5.675 0.981 16.577 251 HE2 LYS 35 2HE LYS 35 -5.900 2.233 19.308 252 HE3 LYS 35 1HE LYS 35 -7.186 1.289 18.557 253 HZ1 LYS 35 3HZ LYS 35 -5.761 -0.619 18.501 254 HZ2 LYS 35 1HZ LYS 35 -5.778 -0.013 20.079 255 HZ3 LYS 35 2HZ LYS 35 -4.445 0.274 19.078 256 H GLY 36 H GLY 36 -0.905 3.370 14.511 257 HA2 GLY 36 2HA GLY 36 0.843 3.290 16.733 258 HA3 GLY 36 1HA GLY 36 1.327 3.391 15.046 259 H LEU 37 H LEU 37 0.422 5.747 14.190 260 HA LEU 37 HA LEU 37 2.246 7.599 15.234 261 HB2 LEU 37 2HB LEU 37 0.258 7.517 13.143 262 HB3 LEU 37 1HB LEU 37 0.210 9.064 13.966 263 HG LEU 37 HG LEU 37 2.876 8.818 13.581 264 HD11 LEU 37 1HD1 LEU 37 1.967 6.696 12.138 265 HD12 LEU 37 2HD1 LEU 37 3.481 7.548 11.838 266 HD13 LEU 37 3HD1 LEU 37 2.039 7.961 10.912 267 HD21 LEU 37 3HD2 LEU 37 1.018 10.570 12.871 268 HD22 LEU 37 1HD2 LEU 37 1.309 9.855 11.283 269 HD23 LEU 37 2HD2 LEU 37 2.639 10.594 12.175 270 H ALA 38 H ALA 38 -1.170 7.043 15.890 271 HA ALA 38 HA ALA 38 -1.648 9.375 17.400 272 HB1 ALA 38 1HB ALA 38 -3.044 6.791 17.973 273 HB2 ALA 38 2HB ALA 38 -3.308 7.633 16.445 274 HB3 ALA 38 3HB ALA 38 -3.687 8.432 17.971 275 H ARG 39 H ARG 39 -0.016 6.414 18.152 276 HA ARG 39 HA ARG 39 0.232 7.292 20.954 277 HB2 ARG 39 2HB ARG 39 -1.038 5.084 20.389 278 HB3 ARG 39 1HB ARG 39 0.574 4.428 20.135 279 HG2 ARG 39 2HG ARG 39 0.478 5.864 22.617 280 HG3 ARG 39 1HG ARG 39 -0.820 4.671 22.549 281 HD2 ARG 39 2HD ARG 39 0.888 2.976 21.868 282 HD3 ARG 39 1HD ARG 39 2.131 4.188 22.175 283 HE ARG 39 HE ARG 39 0.366 3.738 24.401 284 HH11 ARG 39 1HH1 ARG 39 3.283 2.687 22.799 285 HH12 ARG 39 2HH1 ARG 39 3.962 1.982 24.228 286 HH21 ARG 39 1HH2 ARG 39 1.258 2.813 26.280 287 HH22 ARG 39 2HH2 ARG 39 2.813 2.055 26.206 288 H PHE 40 H PHE 40 1.911 7.921 18.588 289 HA PHE 40 HA PHE 40 4.458 7.343 19.817 290 HB2 PHE 40 2HB PHE 40 3.750 6.261 17.090 291 HB3 PHE 40 1HB PHE 40 5.413 6.493 17.617 292 HD1 PHE 40 2HD PHE 40 5.561 5.559 20.277 293 HD2 PHE 40 1HD PHE 40 3.196 4.041 17.081 294 HE1 PHE 40 2HE PHE 40 5.528 3.350 21.356 295 HE2 PHE 40 1HE PHE 40 3.159 1.828 18.154 296 HZ PHE 40 HZ PHE 40 4.326 1.478 20.294 297 H THR 41 H THR 41 4.546 9.599 20.056 298 HA THR 41 HA THR 41 5.459 10.985 17.665 299 HB THR 41 HB THR 41 3.992 13.000 18.526 300 HG1 THR 41 1HG THR 41 2.454 10.758 19.326 301 HG21 THR 41 3HG2 THR 41 3.212 12.659 16.482 302 HG22 THR 41 1HG2 THR 41 1.998 11.613 17.216 303 HG23 THR 41 2HG2 THR 41 3.491 10.921 16.583 304 H LYS 42 H LYS 42 7.432 10.630 18.944 305 HA LYS 42 HA LYS 42 7.725 12.642 21.079 306 HB2 LYS 42 2HB LYS 42 9.328 10.109 20.682 307 HB3 LYS 42 1HB LYS 42 9.535 11.269 21.987 308 HG2 LYS 42 2HG LYS 42 6.826 10.512 22.014 309 HG3 LYS 42 1HG LYS 42 7.767 9.033 21.819 310 HD2 LYS 42 2HD LYS 42 7.790 9.183 24.094 311 HD3 LYS 42 1HD LYS 42 9.221 10.152 23.736 312 HE2 LYS 42 2HE LYS 42 7.245 12.018 23.587 313 HE3 LYS 42 1HE LYS 42 6.619 10.949 24.840 314 HZ1 LYS 42 3HZ LYS 42 8.080 12.841 25.596 315 HZ2 LYS 42 1HZ LYS 42 9.382 12.008 24.907 316 HZ3 LYS 42 2HZ LYS 42 8.501 11.306 26.168 317 H GLY 43 H GLY 43 9.124 11.251 18.171 318 HA2 GLY 43 2HA GLY 43 11.181 13.363 18.190 319 HA3 GLY 43 1HA GLY 43 11.298 11.854 17.297 320 H GLN 44 H GLN 44 11.870 13.442 15.566 321 HA GLN 44 HA GLN 44 9.525 14.743 14.385 322 HB2 GLN 44 2HB GLN 44 12.015 15.723 14.728 323 HB3 GLN 44 1HB GLN 44 12.186 15.038 13.118 324 HG2 GLN 44 2HG GLN 44 9.761 16.439 13.101 325 HG3 GLN 44 1HG GLN 44 10.918 17.474 13.937 326 HE21 GLN 44 1HE2 GLN 44 13.242 16.943 12.675 327 HE22 GLN 44 2HE2 GLN 44 13.148 17.403 11.013 328 H GLN 45 H GLN 45 9.911 11.849 14.340 329 HA GLN 45 HA GLN 45 9.416 11.432 11.543 330 HB2 GLN 45 2HB GLN 45 11.188 9.557 11.465 331 HB3 GLN 45 1HB GLN 45 11.723 11.218 11.252 332 HG2 GLN 45 2HG GLN 45 11.735 10.201 14.017 333 HG3 GLN 45 1HG GLN 45 12.899 9.473 12.911 334 HE21 GLN 45 1HE2 GLN 45 13.718 11.452 11.352 335 HE22 GLN 45 2HE2 GLN 45 14.451 12.721 12.266 336 H ARG 46 H ARG 46 7.451 10.980 12.909 337 HA ARG 46 HA ARG 46 7.411 8.557 14.445 338 HB2 ARG 46 2HB ARG 46 4.918 9.830 13.393 339 HB3 ARG 46 1HB ARG 46 5.208 9.066 14.950 340 HG2 ARG 46 2HG ARG 46 5.248 11.167 15.716 341 HG3 ARG 46 1HG ARG 46 6.899 11.180 15.091 342 HD2 ARG 46 2HD ARG 46 6.077 13.077 14.108 343 HD3 ARG 46 1HD ARG 46 5.693 11.891 12.862 344 HE ARG 46 HE ARG 46 3.518 12.058 14.604 345 HH11 ARG 46 1HH1 ARG 46 5.182 14.040 12.265 346 HH12 ARG 46 2HH1 ARG 46 3.770 14.952 11.847 347 HH21 ARG 46 1HH2 ARG 46 1.659 13.253 14.056 348 HH22 ARG 46 2HH2 ARG 46 1.770 14.506 12.864 349 H PHE 47 H PHE 47 6.657 9.478 11.155 350 HA PHE 47 HA PHE 47 5.155 7.246 10.385 351 HB2 PHE 47 2HB PHE 47 7.074 8.738 8.597 352 HB3 PHE 47 1HB PHE 47 5.603 7.892 8.128 353 HD1 PHE 47 2HD PHE 47 3.388 8.825 8.833 354 HD2 PHE 47 1HD PHE 47 7.028 10.987 9.270 355 HE1 PHE 47 2HE PHE 47 2.114 10.917 9.053 356 HE2 PHE 47 1HE PHE 47 5.760 13.083 9.492 357 HZ PHE 47 HZ PHE 47 3.299 13.050 9.385 358 H GLN 48 H GLN 48 8.663 7.797 10.255 359 HA GLN 48 HA GLN 48 9.253 5.268 9.101 360 HB2 GLN 48 2HB GLN 48 11.104 7.021 10.723 361 HB3 GLN 48 1HB GLN 48 11.566 5.785 9.561 362 HG2 GLN 48 2HG GLN 48 10.814 7.077 7.737 363 HG3 GLN 48 1HG GLN 48 9.969 8.208 8.792 364 HE21 GLN 48 1HE2 GLN 48 10.944 10.086 8.906 365 HE22 GLN 48 2HE2 GLN 48 12.650 10.359 8.887 366 H GLN 49 H GLN 49 9.630 6.516 12.418 367 HA GLN 49 HA GLN 49 10.530 4.156 13.593 368 HB2 GLN 49 2HB GLN 49 10.165 6.659 14.492 369 HB3 GLN 49 1HB GLN 49 8.750 5.897 15.207 370 HG2 GLN 49 2HG GLN 49 9.959 4.798 16.727 371 HG3 GLN 49 1HG GLN 49 11.220 4.380 15.567 372 HE21 GLN 49 1HE2 GLN 49 12.289 4.901 17.799 373 HE22 GLN 49 2HE2 GLN 49 12.912 6.506 17.936 374 H ILE 50 H ILE 50 7.203 5.382 13.277 375 HA ILE 50 HA ILE 50 5.959 3.276 14.649 376 HB ILE 50 HB ILE 50 4.938 5.512 13.944 377 HG12 ILE 50 2HG1 ILE 50 3.723 3.642 15.062 378 HG13 ILE 50 1HG1 ILE 50 2.700 4.622 14.017 379 HG21 ILE 50 1HG2 ILE 50 3.700 5.537 11.845 380 HG22 ILE 50 2HG2 ILE 50 4.362 3.958 11.426 381 HG23 ILE 50 3HG2 ILE 50 5.429 5.354 11.558 382 HD11 ILE 50 3HD1 ILE 50 3.407 1.795 13.848 383 HD12 ILE 50 1HD1 ILE 50 3.501 2.659 12.313 384 HD13 ILE 50 2HD1 ILE 50 1.997 2.656 13.233 385 H TYR 51 H TYR 51 6.812 3.656 11.248 386 HA TYR 51 HA TYR 51 5.474 1.427 10.233 387 HB2 TYR 51 2HB TYR 51 6.492 3.130 8.790 388 HB3 TYR 51 1HB TYR 51 8.096 2.609 9.303 389 HD1 TYR 51 1HD TYR 51 5.054 1.526 7.474 390 HD2 TYR 51 2HD TYR 51 9.171 0.786 8.255 391 HE1 TYR 51 1HE TYR 51 5.099 -0.122 5.650 392 HE2 TYR 51 2HE TYR 51 9.225 -0.863 6.433 393 HH TYR 51 HH TYR 51 7.133 -1.062 4.066 394 H TYR 52 H TYR 52 8.698 1.719 11.635 395 HA TYR 52 HA TYR 52 9.453 -0.975 11.185 396 HB2 TYR 52 2HB TYR 52 10.482 1.200 12.988 397 HB3 TYR 52 1HB TYR 52 11.145 -0.429 13.062 398 HD1 TYR 52 2HD TYR 52 11.913 -1.425 10.753 399 HD2 TYR 52 1HD TYR 52 11.428 2.729 11.532 400 HE1 TYR 52 2HE TYR 52 13.411 -0.903 8.874 401 HE2 TYR 52 1HE TYR 52 12.922 3.262 9.654 402 HH TYR 52 HH TYR 52 14.833 0.894 8.094 403 H ALA 53 H ALA 53 7.782 0.654 13.810 404 HA ALA 53 HA ALA 53 7.957 -1.491 15.663 405 HB1 ALA 53 1HB ALA 53 6.464 -0.270 17.017 406 HB2 ALA 53 2HB ALA 53 5.795 0.595 15.633 407 HB3 ALA 53 3HB ALA 53 7.437 0.938 16.177 408 H TYR 54 H TYR 54 5.315 -0.379 13.566 409 HA TYR 54 HA TYR 54 3.728 -2.704 14.155 410 HB2 TYR 54 2HB TYR 54 2.006 -1.582 13.215 411 HB3 TYR 54 1HB TYR 54 3.077 -0.197 13.372 412 HD1 TYR 54 1HD TYR 54 1.731 -2.695 11.016 413 HD2 TYR 54 2HD TYR 54 3.965 0.898 11.442 414 HE1 TYR 54 1HE TYR 54 1.578 -2.321 8.592 415 HE2 TYR 54 2HE TYR 54 3.819 1.283 9.018 416 HH TYR 54 HH TYR 54 2.997 -1.028 6.836 417 H ARG 55 H ARG 55 6.406 -2.335 12.298 418 HA ARG 55 HA ARG 55 5.872 -3.474 9.841 419 HB2 ARG 55 2HB ARG 55 8.086 -2.559 10.890 420 HB3 ARG 55 1HB ARG 55 8.347 -4.237 11.345 421 HG2 ARG 55 2HG ARG 55 8.085 -4.865 8.955 422 HG3 ARG 55 1HG ARG 55 8.002 -3.146 8.562 423 HD2 ARG 55 2HD ARG 55 10.217 -2.788 9.049 424 HD3 ARG 55 1HD ARG 55 10.293 -4.131 10.187 425 HE ARG 55 HE ARG 55 9.889 -4.943 7.459 426 HH11 ARG 55 1HH1 ARG 55 12.263 -4.125 9.883 427 HH12 ARG 55 2HH1 ARG 55 13.534 -5.019 9.119 428 HH21 ARG 55 1HH2 ARG 55 11.561 -6.120 6.453 429 HH22 ARG 55 2HH2 ARG 55 13.135 -6.151 7.171 430 H SER 56 H SER 56 5.855 -4.961 12.966 431 HA SER 56 HA SER 56 6.373 -7.616 12.373 432 HB2 SER 56 2HB SER 56 4.755 -6.213 14.444 433 HB3 SER 56 1HB SER 56 4.507 -7.949 14.257 434 HG SER 56 HG SER 56 6.260 -8.170 15.375 435 H VAL 57 H VAL 57 3.574 -5.683 11.642 436 HA VAL 57 HA VAL 57 1.998 -8.002 10.848 437 HB VAL 57 HB VAL 57 1.263 -5.089 10.562 438 HG11 VAL 57 1HG1 VAL 57 -0.060 -6.608 9.198 439 HG12 VAL 57 2HG1 VAL 57 -1.033 -5.951 10.515 440 HG13 VAL 57 3HG1 VAL 57 -0.410 -7.597 10.616 441 HG21 VAL 57 3HG2 VAL 57 0.520 -6.931 12.827 442 HG22 VAL 57 1HG2 VAL 57 0.138 -5.217 12.668 443 HG23 VAL 57 2HG2 VAL 57 1.807 -5.729 12.913 444 H TRP 58 H TRP 58 2.849 -4.912 9.276 445 HA TRP 58 HA TRP 58 2.904 -6.344 6.710 446 HB2 TRP 58 2HB TRP 58 2.489 -3.396 7.236 447 HB3 TRP 58 1HB TRP 58 2.474 -4.169 5.653 448 HD1 TRP 58 HD TRP 58 0.388 -3.899 8.864 449 HE1 TRP 58 1HE TRP 58 -2.017 -4.646 8.338 450 HE3 TRP 58 3HE TRP 58 1.085 -5.571 4.084 451 HZ2 TRP 58 2HZ TRP 58 -3.432 -5.791 6.181 452 HZ3 TRP 58 3HZ TRP 58 -0.846 -6.478 2.858 453 HH2 TRP 58 HH TRP 58 -3.058 -6.584 3.887 454 H HIS 59 H HIS 59 4.929 -6.889 6.206 455 HA HIS 59 HA HIS 59 7.023 -4.835 6.495 456 HB2 HIS 59 2HB HIS 59 8.641 -6.703 6.842 457 HB3 HIS 59 1HB HIS 59 7.451 -6.558 8.131 458 HD1 HIS 59 1HD HIS 59 9.024 -9.032 6.144 459 HD2 HIS 59 2HD HIS 59 5.154 -8.470 7.548 460 HE1 HIS 59 1HE HIS 59 7.933 -11.294 6.028 461 HE2 HIS 59 2HE HIS 59 5.564 -10.911 6.798 462 HA PRO 60 HA PRO 60 6.615 -6.376 2.064 463 HB2 PRO 60 2HB PRO 60 6.027 -3.996 0.917 464 HB3 PRO 60 1HB PRO 60 4.785 -5.066 1.575 465 HG2 PRO 60 2HG PRO 60 6.037 -2.639 2.801 466 HG3 PRO 60 1HG PRO 60 4.332 -3.130 2.780 467 HD2 PRO 60 2HD PRO 60 5.952 -3.516 4.926 468 HD3 PRO 60 1HD PRO 60 4.606 -4.602 4.528 469 H ALA 61 H ALA 61 7.666 -5.023 0.079 470 HA ALA 61 HA ALA 61 10.432 -4.806 0.751 471 HB1 ALA 61 1HB ALA 61 9.255 -5.561 -1.475 472 HB2 ALA 61 2HB ALA 61 10.839 -4.786 -1.505 473 HB3 ALA 61 3HB ALA 61 9.391 -3.847 -1.870 474 H ARG 62 H ARG 62 11.772 -3.000 0.700 475 HA ARG 62 HA ARG 62 12.368 -0.836 1.070 476 HB2 ARG 62 2HB ARG 62 10.009 -0.487 -0.760 477 HB3 ARG 62 1HB ARG 62 10.856 0.907 -0.102 478 HG2 ARG 62 2HG ARG 62 11.904 0.626 -2.125 479 HG3 ARG 62 1HG ARG 62 12.973 -0.266 -1.043 480 HD2 ARG 62 2HD ARG 62 12.672 -2.106 -2.245 481 HD3 ARG 62 1HD ARG 62 10.938 -2.038 -1.934 482 HE ARG 62 HE ARG 62 11.265 -0.268 -3.947 483 HH11 ARG 62 1HH1 ARG 62 12.253 -3.586 -3.518 484 HH12 ARG 62 2HH1 ARG 62 12.181 -3.957 -5.209 485 HH21 ARG 62 1HH2 ARG 62 11.166 -0.754 -6.169 486 HH22 ARG 62 2HH2 ARG 62 11.562 -2.350 -6.713 487 H THR 63 H THR 63 12.221 -0.241 3.136 488 HA THR 63 HA THR 63 9.620 0.005 4.412 489 HB THR 63 HB THR 63 11.255 -1.111 5.739 490 HG1 THR 63 1HG THR 63 11.175 0.114 7.541 491 HG21 THR 63 3HG2 THR 63 13.326 -0.492 4.802 492 HG22 THR 63 1HG2 THR 63 13.343 0.076 6.472 493 HG23 THR 63 2HG2 THR 63 13.059 1.215 5.156 494 H VAL 64 H VAL 64 9.052 1.892 5.664 495 HA VAL 64 HA VAL 64 8.717 4.112 5.977 496 HB VAL 64 HB VAL 64 11.450 4.393 4.729 497 HG11 VAL 64 1HG1 VAL 64 9.693 6.484 6.009 498 HG12 VAL 64 2HG1 VAL 64 10.249 6.444 4.335 499 HG13 VAL 64 3HG1 VAL 64 11.405 6.701 5.642 500 HG21 VAL 64 3HG2 VAL 64 12.006 5.010 7.130 501 HG22 VAL 64 1HG2 VAL 64 11.639 3.314 6.815 502 HG23 VAL 64 2HG2 VAL 64 10.423 4.357 7.552 503 H SER 65 H SER 65 10.201 3.543 2.787 504 HA SER 65 HA SER 65 8.836 5.556 1.414 505 HB2 SER 65 2HB SER 65 10.350 3.136 0.695 506 HB3 SER 65 1HB SER 65 9.114 3.584 -0.481 507 HG SER 65 HG SER 65 10.133 5.449 -0.871 508 H GLN 66 H GLN 66 8.007 2.203 2.124 509 HA GLN 66 HA GLN 66 5.568 2.142 0.692 510 HB2 GLN 66 2HB GLN 66 6.744 0.528 2.929 511 HB3 GLN 66 1HB GLN 66 5.052 0.306 2.500 512 HG2 GLN 66 2HG GLN 66 7.341 0.044 0.565 513 HG3 GLN 66 1HG GLN 66 6.597 -1.305 1.423 514 HE21 GLN 66 1HE2 GLN 66 6.520 0.606 -1.327 515 HE22 GLN 66 2HE2 GLN 66 4.992 0.098 -1.953 516 H LEU 67 H LEU 67 6.470 3.072 3.954 517 HA LEU 67 HA LEU 67 3.954 3.417 5.091 518 HB2 LEU 67 2HB LEU 67 6.221 3.562 6.220 519 HB3 LEU 67 1HB LEU 67 6.343 5.188 5.583 520 HG LEU 67 HG LEU 67 5.652 5.180 7.927 521 HD11 LEU 67 1HD1 LEU 67 3.287 6.054 6.309 522 HD12 LEU 67 2HD1 LEU 67 4.839 6.884 6.207 523 HD13 LEU 67 3HD1 LEU 67 3.985 6.798 7.748 524 HD21 LEU 67 3HD2 LEU 67 3.258 4.421 8.376 525 HD22 LEU 67 1HD2 LEU 67 4.495 3.175 8.235 526 HD23 LEU 67 2HD2 LEU 67 3.402 3.490 6.886 527 H TYR 68 H TYR 68 5.968 5.743 3.346 528 HA TYR 68 HA TYR 68 4.135 7.872 3.419 529 HB2 TYR 68 2HB TYR 68 6.183 7.313 1.264 530 HB3 TYR 68 1HB TYR 68 5.461 8.870 1.652 531 HD1 TYR 68 2HD TYR 68 5.698 8.127 4.776 532 HD2 TYR 68 1HD TYR 68 8.411 8.354 1.504 533 HE1 TYR 68 2HE TYR 68 7.540 8.588 6.340 534 HE2 TYR 68 1HE TYR 68 10.257 8.815 3.059 535 HH TYR 68 HH TYR 68 9.959 8.420 6.438 536 H ASP 69 H ASP 69 4.384 5.036 1.424 537 HA ASP 69 HA ASP 69 2.755 5.887 -0.709 538 HB2 ASP 69 2HB ASP 69 4.251 3.673 -0.240 539 HB3 ASP 69 1HB ASP 69 2.630 3.028 0.001 540 H HIS 70 H HIS 70 1.950 4.037 2.227 541 HA HIS 70 HA HIS 70 -0.850 4.036 1.570 542 HB2 HIS 70 2HB HIS 70 -0.359 3.583 4.392 543 HB3 HIS 70 1HB HIS 70 -1.064 2.507 3.195 544 HD1 HIS 70 1HD HIS 70 1.937 3.066 5.194 545 HD2 HIS 70 2HD HIS 70 0.907 0.886 1.813 546 HE1 HIS 70 1HE HIS 70 3.779 1.396 4.894 547 HE2 HIS 70 2HE HIS 70 3.079 0.003 2.910 548 H TRP 71 H TRP 71 1.306 5.998 3.459 549 HA TRP 71 HA TRP 71 -0.745 7.488 4.780 550 HB2 TRP 71 2HB TRP 71 1.985 7.177 5.105 551 HB3 TRP 71 1HB TRP 71 1.838 8.831 4.518 552 HD1 TRP 71 HD TRP 71 1.521 6.784 7.603 553 HE1 TRP 71 1HE TRP 71 0.620 8.220 9.538 554 HE3 TRP 71 3HE TRP 71 0.037 10.894 4.946 555 HZ2 TRP 71 2HZ TRP 71 -0.563 10.756 9.894 556 HZ3 TRP 71 3HZ TRP 71 -0.970 12.780 6.162 557 HH2 TRP 71 HH TRP 71 -1.264 12.713 8.583 558 H ARG 72 H ARG 72 0.926 7.708 1.728 559 HA ARG 72 HA ARG 72 0.155 10.438 1.229 560 HB2 ARG 72 2HB ARG 72 2.189 9.555 0.218 561 HB3 ARG 72 1HB ARG 72 1.263 8.315 -0.616 562 HG2 ARG 72 2HG ARG 72 0.303 11.000 -1.183 563 HG3 ARG 72 1HG ARG 72 1.994 10.764 -1.631 564 HD2 ARG 72 2HD ARG 72 0.421 8.486 -2.415 565 HD3 ARG 72 1HD ARG 72 -0.287 9.968 -3.057 566 HE ARG 72 HE ARG 72 2.209 8.758 -3.824 567 HH11 ARG 72 1HH1 ARG 72 0.362 11.718 -3.738 568 HH12 ARG 72 2HH1 ARG 72 1.230 12.444 -5.047 569 HH21 ARG 72 1HH2 ARG 72 3.352 9.712 -5.547 570 HH22 ARG 72 2HH2 ARG 72 2.928 11.307 -6.074 571 H GLY 73 H GLY 73 -1.007 7.232 0.375 572 HA2 GLY 73 2HA GLY 73 -3.020 8.185 -1.437 573 HA3 GLY 73 1HA GLY 73 -2.876 6.551 -0.804 574 H THR 74 H THR 74 -2.862 7.536 1.987 575 HA THR 74 HA THR 74 -5.710 7.531 2.369 576 HB THR 74 HB THR 74 -3.485 7.854 4.394 577 HG1 THR 74 1HG THR 74 -4.826 5.574 3.391 578 HG21 THR 74 3HG2 THR 74 -5.515 6.574 5.666 579 HG22 THR 74 1HG2 THR 74 -6.390 7.735 4.667 580 HG23 THR 74 2HG2 THR 74 -5.159 8.297 5.798 581 H LEU 75 H LEU 75 -3.085 9.826 3.085 582 HA LEU 75 HA LEU 75 -4.959 11.885 3.853 583 HB2 LEU 75 2HB LEU 75 -2.675 11.575 4.872 584 HB3 LEU 75 1HB LEU 75 -1.996 12.158 3.364 585 HG LEU 75 HG LEU 75 -3.706 14.178 3.924 586 HD11 LEU 75 1HD1 LEU 75 -4.515 13.787 5.996 587 HD12 LEU 75 2HD1 LEU 75 -2.984 14.516 6.481 588 HD13 LEU 75 3HD1 LEU 75 -3.157 12.761 6.454 589 HD21 LEU 75 3HD2 LEU 75 -1.516 15.071 5.203 590 HD22 LEU 75 1HD2 LEU 75 -1.635 14.937 3.448 591 HD23 LEU 75 2HD2 LEU 75 -0.836 13.668 4.376 592 H ARG 76 H ARG 76 -2.399 11.750 1.369 593 HA ARG 76 HA ARG 76 -2.243 12.663 -0.707 594 HB2 ARG 76 2HB ARG 76 -4.911 11.690 -0.471 595 HB3 ARG 76 1HB ARG 76 -4.969 13.209 -1.352 596 HG2 ARG 76 2HG ARG 76 -3.202 10.876 -2.062 597 HG3 ARG 76 1HG ARG 76 -4.754 11.244 -2.819 598 HD2 ARG 76 2HD ARG 76 -2.555 13.279 -2.725 599 HD3 ARG 76 1HD ARG 76 -2.588 12.037 -3.976 600 HE ARG 76 HE ARG 76 -4.287 14.343 -3.778 601 HH11 ARG 76 1HH1 ARG 76 -4.017 11.099 -5.038 602 HH12 ARG 76 2HH1 ARG 76 -5.169 11.362 -6.306 603 HH21 ARG 76 1HH2 ARG 76 -5.802 14.689 -5.443 604 HH22 ARG 76 2HH2 ARG 76 -6.181 13.400 -6.534 605 H TYR 77 H TYR 77 -2.275 14.377 1.641 606 HA TYR 77 HA TYR 77 -2.996 16.889 0.305 607 HB2 TYR 77 2HB TYR 77 -3.976 15.871 2.892 608 HB3 TYR 77 1HB TYR 77 -3.397 17.533 2.927 609 HD1 TYR 77 1HD TYR 77 -5.847 15.248 1.371 610 HD2 TYR 77 2HD TYR 77 -4.648 19.292 1.922 611 HE1 TYR 77 1HE TYR 77 -7.989 16.005 0.429 612 HE2 TYR 77 2HE TYR 77 -6.786 20.061 0.982 613 HH TYR 77 HH TYR 77 -8.856 18.090 -0.731 614 H LYS 78 H LYS 78 -0.761 17.037 -0.229 615 HA LYS 78 HA LYS 78 1.313 16.955 1.684 616 HB2 LYS 78 2HB LYS 78 1.236 17.052 -1.023 617 HB3 LYS 78 1HB LYS 78 1.689 18.712 -0.662 618 HG2 LYS 78 2HG LYS 78 3.457 17.561 0.894 619 HG3 LYS 78 1HG LYS 78 3.188 16.188 -0.182 620 HD2 LYS 78 2HD LYS 78 3.805 18.942 -1.219 621 HD3 LYS 78 1HD LYS 78 5.073 17.791 -0.795 622 HE2 LYS 78 2HE LYS 78 4.845 16.787 -2.762 623 HE3 LYS 78 1HE LYS 78 3.147 16.460 -2.419 624 HZ1 LYS 78 3HZ LYS 78 2.529 18.536 -3.370 625 HZ2 LYS 78 1HZ LYS 78 3.546 17.760 -4.476 626 HZ3 LYS 78 2HZ LYS 78 4.139 19.028 -3.526 627 H VAL 79 H VAL 79 -0.110 19.785 0.037 628 HA VAL 79 HA VAL 79 -0.336 21.960 0.670 629 HB VAL 79 HB VAL 79 -0.184 20.945 3.508 630 HG11 VAL 79 1HG1 VAL 79 -1.839 22.903 3.771 631 HG12 VAL 79 2HG1 VAL 79 -1.205 23.446 2.216 632 HG13 VAL 79 3HG1 VAL 79 -0.122 23.267 3.597 633 HG21 VAL 79 3HG2 VAL 79 -2.336 20.747 1.468 634 HG22 VAL 79 1HG2 VAL 79 -2.796 21.091 3.135 635 HG23 VAL 79 2HG2 VAL 79 -1.891 19.626 2.754 636 H ILE 80 H ILE 80 1.435 23.073 0.093 637 HA ILE 80 HA ILE 80 3.371 23.755 2.086 638 HB ILE 80 HB ILE 80 4.316 21.615 1.337 639 HG12 ILE 80 2HG1 ILE 80 6.247 23.431 0.079 640 HG13 ILE 80 1HG1 ILE 80 5.633 24.016 1.622 641 HG21 ILE 80 1HG2 ILE 80 4.567 22.888 -1.381 642 HG22 ILE 80 2HG2 ILE 80 3.355 21.680 -0.947 643 HG23 ILE 80 3HG2 ILE 80 5.068 21.262 -0.915 644 HD11 ILE 80 3HD1 ILE 80 6.333 21.226 1.780 645 HD12 ILE 80 1HD1 ILE 80 6.904 22.591 2.740 646 HD13 ILE 80 2HD1 ILE 80 7.689 22.200 1.210 647 H GLN 81 H GLN 81 2.613 23.739 -1.379 648 HA GLN 81 HA GLN 81 3.933 26.287 -1.779 649 HB2 GLN 81 2HB GLN 81 2.968 24.132 -3.453 650 HB3 GLN 81 1HB GLN 81 2.417 25.688 -4.059 651 HG2 GLN 81 2HG GLN 81 4.386 25.887 -5.048 652 HG3 GLN 81 1HG GLN 81 5.085 26.104 -3.444 653 HE21 GLN 81 1HE2 GLN 81 5.400 24.442 -6.218 654 HE22 GLN 81 2HE2 GLN 81 6.184 23.018 -5.637 655 H GLN 82 H GLN 82 2.938 28.233 -2.238 656 HA GLN 82 HA GLN 82 1.361 29.864 -2.097 657 HB2 GLN 82 2HB GLN 82 0.354 28.584 -3.963 658 HB3 GLN 82 1HB GLN 82 -0.560 27.636 -2.797 659 HG2 GLN 82 2HG GLN 82 -0.956 30.462 -2.382 660 HG3 GLN 82 1HG GLN 82 -1.349 29.992 -4.035 661 HE21 GLN 82 1HE2 GLN 82 -2.594 27.797 -4.065 662 HE22 GLN 82 2HE2 GLN 82 -3.944 27.724 -2.990 663 H GLN 83 H GLN 83 1.065 30.649 -0.118 664 HA GLN 83 HA GLN 83 0.323 29.120 2.127 665 HB2 GLN 83 2HB GLN 83 1.560 31.348 2.084 666 HB3 GLN 83 1HB GLN 83 -0.013 32.107 1.878 667 HG2 GLN 83 2HG GLN 83 -0.719 30.937 3.996 668 HG3 GLN 83 1HG GLN 83 0.977 30.514 4.224 669 HE21 GLN 83 1HE2 GLN 83 -0.399 32.013 6.075 670 HE22 GLN 83 2HE2 GLN 83 0.226 33.624 6.088 671 H GLY 84 H GLY 84 -1.546 31.692 0.495 672 HA2 GLY 84 2HA GLY 84 -3.809 31.804 0.043 673 HA3 GLY 84 1HA GLY 84 -3.958 30.140 0.586 674 H TYR 85 H TYR 85 -5.727 32.371 1.133 675 HA TYR 85 HA TYR 85 -5.409 32.570 4.055 676 HB2 TYR 85 2HB TYR 85 -5.703 34.623 2.218 677 HB3 TYR 85 1HB TYR 85 -7.327 34.427 2.869 678 HD1 TYR 85 2HD TYR 85 -7.752 34.779 5.269 679 HD2 TYR 85 1HD TYR 85 -3.917 35.492 3.567 680 HE1 TYR 85 2HE TYR 85 -7.113 36.068 7.263 681 HE2 TYR 85 1HE TYR 85 -3.268 36.781 5.558 682 HH TYR 85 HH TYR 85 -4.986 36.715 8.435 683 H ARG 86 H ARG 86 -7.528 32.774 5.239 684 HA ARG 86 HA ARG 86 -9.799 31.486 3.974 685 HB2 ARG 86 2HB ARG 86 -8.081 30.160 6.023 686 HB3 ARG 86 1HB ARG 86 -9.818 29.895 6.091 687 HG2 ARG 86 2HG ARG 86 -9.553 29.322 3.566 688 HG3 ARG 86 1HG ARG 86 -7.859 29.084 3.995 689 HD2 ARG 86 2HD ARG 86 -9.215 27.752 5.993 690 HD3 ARG 86 1HD ARG 86 -10.184 27.422 4.557 691 HE ARG 86 HE ARG 86 -7.665 26.919 3.722 692 HH11 ARG 86 1HH1 ARG 86 -9.516 25.837 6.474 693 HH12 ARG 86 2HH1 ARG 86 -8.708 24.310 6.576 694 HH21 ARG 86 1HH2 ARG 86 -6.601 24.909 3.853 695 HH22 ARG 86 2HH2 ARG 86 -7.053 23.782 5.087 696 H GLY 87 H GLY 87 -10.166 33.897 4.574 697 HA2 GLY 87 2HA GLY 87 -10.688 34.492 7.326 698 HA3 GLY 87 1HA GLY 87 -11.140 35.478 5.944 699 H LYS 88 H LYS 88 -12.211 33.303 8.330 700 HA LYS 88 HA LYS 88 -14.859 33.140 7.047 701 HB2 LYS 88 2HB LYS 88 -13.505 30.988 7.604 702 HB3 LYS 88 1HB LYS 88 -13.987 31.315 9.263 703 HG2 LYS 88 2HG LYS 88 -16.364 31.530 7.957 704 HG3 LYS 88 1HG LYS 88 -15.548 30.282 7.015 705 HD2 LYS 88 2HD LYS 88 -15.028 29.160 9.237 706 HD3 LYS 88 1HD LYS 88 -16.189 30.279 9.954 707 HE2 LYS 88 2HE LYS 88 -17.545 29.276 7.778 708 HE3 LYS 88 1HE LYS 88 -16.635 27.881 8.358 709 HZ1 LYS 88 3HZ LYS 88 -17.784 27.820 10.296 710 HZ2 LYS 88 1HZ LYS 88 -18.987 28.511 9.328 711 HZ3 LYS 88 2HZ LYS 88 -18.054 29.489 10.342 712 H ASN 89 H ASN 89 -15.804 34.970 7.846 713 HA ASN 89 HA ASN 89 -16.205 35.036 10.759 714 HB2 ASN 89 2HB ASN 89 -14.566 36.805 9.734 715 HB3 ASN 89 1HB ASN 89 -16.049 37.591 9.199 716 HD21 ASN 89 1HD2 ASN 89 -17.734 37.789 10.983 717 HD22 ASN 89 2HD2 ASN 89 -17.152 38.327 12.517 718 H SER 90 H SER 90 -18.196 33.929 10.254 719 HA SER 90 HA SER 90 -20.285 35.803 9.380 720 HB2 SER 90 2HB SER 90 -19.580 33.909 7.690 721 HB3 SER 90 1HB SER 90 -20.565 32.890 8.740 722 HG SER 90 HG SER 90 -21.377 34.545 6.838 723 H VAL 91 H VAL 91 -22.535 34.641 9.898 724 HA VAL 91 HA VAL 91 -22.476 34.206 12.767 725 HB VAL 91 HB VAL 91 -24.151 35.728 11.813 726 HG11 VAL 91 1HG1 VAL 91 -25.065 33.256 10.368 727 HG12 VAL 91 2HG1 VAL 91 -24.618 34.821 9.689 728 HG13 VAL 91 3HG1 VAL 91 -26.111 34.654 10.612 729 HG21 VAL 91 3HG2 VAL 91 -25.835 35.133 13.255 730 HG22 VAL 91 1HG2 VAL 91 -24.514 34.141 13.871 731 HG23 VAL 91 2HG2 VAL 91 -25.743 33.423 12.831 732 H ALA 92 H ALA 92 -23.488 32.427 13.814 733 HA ALA 92 HA ALA 92 -23.897 30.220 14.178 734 HB1 ALA 92 1HB ALA 92 -25.701 30.790 12.451 735 HB2 ALA 92 2HB ALA 92 -25.309 29.088 12.698 736 HB3 ALA 92 3HB ALA 92 -24.674 29.945 11.294 737 H ALA 93 H ALA 93 -22.205 28.953 14.540 738 HA ALA 93 HA ALA 93 -20.290 28.459 12.375 739 HB1 ALA 93 1HB ALA 93 -18.961 29.088 14.095 740 HB2 ALA 93 2HB ALA 93 -19.081 27.378 14.506 741 HB3 ALA 93 3HB ALA 93 -20.109 28.557 15.323 742 H ARG 94 H ARG 94 -20.061 26.512 11.460 743 HA ARG 94 HA ARG 94 -21.172 24.156 12.801 744 HB2 ARG 94 2HB ARG 94 -22.081 23.443 10.516 745 HB3 ARG 94 1HB ARG 94 -22.978 24.672 11.395 746 HG2 ARG 94 2HG ARG 94 -22.899 25.906 9.557 747 HG3 ARG 94 1HG ARG 94 -21.170 26.108 9.850 748 HD2 ARG 94 2HD ARG 94 -20.782 24.006 8.562 749 HD3 ARG 94 1HD ARG 94 -22.498 23.996 8.158 750 HE ARG 94 HE ARG 94 -21.378 26.481 7.454 751 HH11 ARG 94 1HH1 ARG 94 -21.359 23.135 6.464 752 HH12 ARG 94 2HH1 ARG 94 -21.023 23.498 4.804 753 HH21 ARG 94 1HH2 ARG 94 -20.937 26.961 5.273 754 HH22 ARG 94 2HH2 ARG 94 -20.785 25.671 4.128 755 H SER 95 H SER 95 -19.324 25.368 10.020 756 HA SER 95 HA SER 95 -18.037 22.903 9.466 757 HB2 SER 95 2HB SER 95 -18.257 25.271 8.138 758 HB3 SER 95 1HB SER 95 -16.597 25.371 8.726 759 HG SER 95 HG SER 95 -17.229 24.200 6.604 760 HA PRO 96 HA PRO 96 -14.722 22.482 12.319 761 HB2 PRO 96 2HB PRO 96 -12.830 22.636 10.020 762 HB3 PRO 96 1HB PRO 96 -12.968 21.408 11.283 763 HG2 PRO 96 2HG PRO 96 -13.868 20.929 8.826 764 HG3 PRO 96 1HG PRO 96 -14.759 20.357 10.248 765 HD2 PRO 96 2HD PRO 96 -15.349 22.655 8.440 766 HD3 PRO 96 1HD PRO 96 -16.467 21.549 9.262 767 H GLU 97 H GLU 97 -12.937 23.586 13.290 768 HA GLU 97 HA GLU 97 -11.985 26.061 12.178 769 HB2 GLU 97 2HB GLU 97 -12.783 27.401 14.181 770 HB3 GLU 97 1HB GLU 97 -14.008 26.978 12.993 771 HG2 GLU 97 2HG GLU 97 -15.206 26.279 14.730 772 HG3 GLU 97 1HG GLU 97 -14.137 24.875 14.736 773 H LYS 98 H LYS 98 -12.324 24.100 15.116 774 HA LYS 98 HA LYS 98 -9.838 25.039 16.217 775 HB2 LYS 98 2HB LYS 98 -11.797 24.306 17.599 776 HB3 LYS 98 1HB LYS 98 -11.488 22.657 17.076 777 HG2 LYS 98 2HG LYS 98 -10.218 22.485 18.893 778 HG3 LYS 98 1HG LYS 98 -9.037 23.461 18.016 779 HD2 LYS 98 2HD LYS 98 -10.108 25.497 18.964 780 HD3 LYS 98 1HD LYS 98 -11.145 24.450 19.934 781 HE2 LYS 98 2HE LYS 98 -9.418 24.988 21.393 782 HE3 LYS 98 1HE LYS 98 -8.942 23.409 20.770 783 HZ1 LYS 98 3HZ LYS 98 -7.319 25.505 20.825 784 HZ2 LYS 98 1HZ LYS 98 -7.981 25.712 19.281 785 HZ3 LYS 98 2HZ LYS 98 -7.189 24.269 19.676 786 H ALA 99 H ALA 99 -10.973 22.123 14.575 787 HA ALA 99 HA ALA 99 -8.604 20.618 14.875 788 HB1 ALA 99 1HB ALA 99 -9.668 19.024 13.681 789 HB2 ALA 99 2HB ALA 99 -10.208 20.159 12.443 790 HB3 ALA 99 3HB ALA 99 -11.075 20.047 13.974 791 H SER 100 H SER 100 -6.668 21.138 14.113 792 HA SER 100 HA SER 100 -6.357 21.882 11.332 793 HB2 SER 100 2HB SER 100 -5.169 23.690 13.441 794 HB3 SER 100 1HB SER 100 -5.205 23.941 11.696 795 HG SER 100 HG SER 100 -6.820 25.093 13.062 796 H ASN 101 H ASN 101 -4.138 21.767 10.609 797 HA ASN 101 HA ASN 101 -2.584 19.885 12.232 798 HB2 ASN 101 2HB ASN 101 -3.292 19.748 9.607 799 HB3 ASN 101 1HB ASN 101 -1.693 20.473 9.479 800 HD21 ASN 101 1HD2 ASN 101 -1.279 18.415 8.358 801 HD22 ASN 101 2HD2 ASN 101 -0.798 17.052 9.303 802 H MET 102 H MET 102 -2.565 22.624 12.967 803 HA MET 102 HA MET 102 0.253 23.280 12.421 804 HB2 MET 102 2HB MET 102 -0.455 25.705 12.723 805 HB3 MET 102 1HB MET 102 -0.947 24.926 11.225 806 HG2 MET 102 2HG MET 102 -3.179 24.634 12.038 807 HG3 MET 102 1HG MET 102 -2.718 25.214 13.638 808 HE1 MET 102 3HE MET 102 -4.665 26.412 13.600 809 HE2 MET 102 1HE MET 102 -5.216 27.580 12.400 810 HE3 MET 102 2HE MET 102 -4.213 28.110 13.748 811 H GLU 103 H GLU 103 1.292 24.562 14.119 812 HA GLU 103 HA GLU 103 0.100 24.887 16.672 813 HB2 GLU 103 2HB GLU 103 1.494 22.351 16.096 814 HB3 GLU 103 1HB GLU 103 1.978 23.148 17.586 815 HG2 GLU 103 2HG GLU 103 -0.820 23.241 17.542 816 HG3 GLU 103 1HG GLU 103 -0.375 21.616 17.019 817 H ASN 104 H ASN 104 3.240 24.165 15.149 818 HA ASN 104 HA ASN 104 4.272 26.661 16.313 819 HB2 ASN 104 2HB ASN 104 5.529 23.927 16.363 820 HB3 ASN 104 1HB ASN 104 6.514 25.383 16.467 821 HD21 ASN 104 1HD2 ASN 104 7.093 25.723 18.478 822 HD22 ASN 104 2HD2 ASN 104 6.091 25.546 19.874 823 H ASN 105 H ASN 105 6.266 27.433 15.198 824 HA ASN 105 HA ASN 105 5.851 27.336 12.348 825 HB2 ASN 105 2HB ASN 105 7.952 28.796 13.964 826 HB3 ASN 105 1HB ASN 105 7.617 29.045 12.253 827 HD21 ASN 105 1HD2 ASN 105 7.524 31.027 14.273 828 HD22 ASN 105 2HD2 ASN 105 5.897 31.605 14.365 829 H GLU 106 H GLU 106 6.851 26.039 10.961 830 HA GLU 106 HA GLU 106 9.441 24.875 11.729 831 HB2 GLU 106 2HB GLU 106 7.056 23.471 10.530 832 HB3 GLU 106 1HB GLU 106 8.678 22.794 10.481 833 HG2 GLU 106 2HG GLU 106 8.623 22.177 12.630 834 HG3 GLU 106 1HG GLU 106 7.805 23.653 13.140 Start of MODEL 16 1 H1 GLY 1 1HT GLY 1 31.462 -31.711 26.602 2 H2 GLY 1 2HT GLY 1 32.996 -32.000 25.953 3 H3 GLY 1 3HT GLY 1 31.967 -30.877 25.220 4 HA2 GLY 1 1HA GLY 1 33.715 -30.576 27.499 5 HA3 GLY 1 2HA GLY 1 33.142 -29.367 26.359 6 HA PRO 2 HA PRO 2 31.015 -28.411 30.319 7 HB2 PRO 2 2HB PRO 2 30.912 -25.732 29.898 8 HB3 PRO 2 1HB PRO 2 32.327 -26.542 30.578 9 HG2 PRO 2 2HG PRO 2 31.827 -25.645 27.767 10 HG3 PRO 2 1HG PRO 2 33.300 -25.495 28.744 11 HD2 PRO 2 2HD PRO 2 32.990 -27.420 26.867 12 HD3 PRO 2 1HD PRO 2 33.937 -27.675 28.346 13 H GLY 3 H GLY 3 29.081 -29.401 29.647 14 HA2 GLY 3 2HA GLY 3 26.833 -27.954 29.354 15 HA3 GLY 3 1HA GLY 3 27.394 -28.078 27.694 16 H SER 4 H SER 4 27.177 -30.317 30.464 17 HA SER 4 HA SER 4 26.479 -32.510 28.755 18 HB2 SER 4 2HB SER 4 26.119 -32.539 31.739 19 HB3 SER 4 1HB SER 4 26.598 -33.855 30.666 20 HG SER 4 HG SER 4 28.302 -32.840 31.987 21 H LEU 5 H LEU 5 24.549 -32.451 27.778 22 HA LEU 5 HA LEU 5 22.173 -32.275 29.478 23 HB2 LEU 5 2HB LEU 5 22.946 -30.151 27.917 24 HB3 LEU 5 1HB LEU 5 21.824 -30.994 26.866 25 HG LEU 5 HG LEU 5 20.159 -30.920 28.772 26 HD11 LEU 5 1HD1 LEU 5 21.331 -30.483 30.702 27 HD12 LEU 5 2HD1 LEU 5 20.705 -28.884 30.306 28 HD13 LEU 5 3HD1 LEU 5 22.378 -29.295 29.927 29 HD21 LEU 5 3HD2 LEU 5 19.533 -29.421 27.197 30 HD22 LEU 5 1HD2 LEU 5 21.121 -28.658 27.134 31 HD23 LEU 5 2HD2 LEU 5 20.006 -28.264 28.442 32 H SER 6 H SER 6 21.791 -34.456 29.254 33 HA SER 6 HA SER 6 20.563 -35.257 26.767 34 HB2 SER 6 2HB SER 6 23.180 -35.771 26.799 35 HB3 SER 6 1HB SER 6 22.638 -37.176 27.715 36 HG SER 6 HG SER 6 21.511 -36.431 25.227 37 H ASN 7 H ASN 7 18.862 -36.519 27.177 38 HA ASN 7 HA ASN 7 18.836 -38.443 29.302 39 HB2 ASN 7 2HB ASN 7 18.318 -36.073 30.306 40 HB3 ASN 7 1HB ASN 7 16.729 -36.332 29.590 41 HD21 ASN 7 1HD2 ASN 7 18.407 -36.603 32.350 42 HD22 ASN 7 2HD2 ASN 7 17.535 -37.880 33.118 43 H PHE 8 H PHE 8 16.481 -36.457 27.497 44 HA PHE 8 HA PHE 8 15.594 -38.804 26.039 45 HB2 PHE 8 2HB PHE 8 13.204 -38.414 26.660 46 HB3 PHE 8 1HB PHE 8 14.201 -38.987 27.994 47 HD1 PHE 8 2HD PHE 8 12.343 -36.150 26.628 48 HD2 PHE 8 1HD PHE 8 14.709 -37.560 29.871 49 HE1 PHE 8 2HE PHE 8 11.620 -34.230 27.985 50 HE2 PHE 8 1HE PHE 8 13.989 -35.643 31.235 51 HZ PHE 8 HZ PHE 8 12.444 -33.975 30.293 52 H ALA 9 H ALA 9 14.963 -35.383 26.761 53 HA ALA 9 HA ALA 9 14.567 -34.944 23.872 54 HB1 ALA 9 1HB ALA 9 12.958 -33.196 24.389 55 HB2 ALA 9 2HB ALA 9 13.166 -33.494 26.114 56 HB3 ALA 9 3HB ALA 9 12.448 -34.733 25.087 57 H ASN 10 H ASN 10 15.513 -33.144 22.968 58 HA ASN 10 HA ASN 10 17.039 -31.358 24.714 59 HB2 ASN 10 2HB ASN 10 18.171 -33.022 22.470 60 HB3 ASN 10 1HB ASN 10 18.962 -31.552 23.029 61 HD21 ASN 10 1HD2 ASN 10 18.701 -34.844 23.434 62 HD22 ASN 10 2HD2 ASN 10 19.485 -34.988 24.967 63 H VAL 11 H VAL 11 14.600 -31.032 23.170 64 HA VAL 11 HA VAL 11 15.390 -28.663 21.690 65 HB VAL 11 HB VAL 11 13.683 -30.747 20.328 66 HG11 VAL 11 1HG1 VAL 11 13.952 -29.334 18.365 67 HG12 VAL 11 2HG1 VAL 11 14.936 -28.206 19.295 68 HG13 VAL 11 3HG1 VAL 11 13.232 -28.423 19.692 69 HG21 VAL 11 3HG2 VAL 11 15.927 -31.616 20.480 70 HG22 VAL 11 1HG2 VAL 11 16.596 -30.087 19.913 71 HG23 VAL 11 2HG2 VAL 11 15.625 -31.082 18.828 72 H GLY 12 H GLY 12 14.038 -27.070 22.193 73 HA2 GLY 12 2HA GLY 12 11.801 -26.172 22.247 74 HA3 GLY 12 1HA GLY 12 11.234 -27.739 22.804 75 H VAL 13 H VAL 13 11.441 -24.743 23.807 76 HA VAL 13 HA VAL 13 11.842 -25.537 26.601 77 HB VAL 13 HB VAL 13 13.002 -23.348 27.029 78 HG11 VAL 13 1HG1 VAL 13 14.530 -25.015 27.176 79 HG12 VAL 13 2HG1 VAL 13 15.163 -24.230 25.728 80 HG13 VAL 13 3HG1 VAL 13 14.143 -25.661 25.580 81 HG21 VAL 13 3HG2 VAL 13 12.796 -23.238 24.065 82 HG22 VAL 13 1HG2 VAL 13 14.258 -22.605 24.824 83 HG23 VAL 13 2HG2 VAL 13 12.681 -21.943 25.256 84 H GLY 14 H GLY 14 10.785 -22.953 24.395 85 HA2 GLY 14 2HA GLY 14 8.322 -22.673 25.891 86 HA3 GLY 14 1HA GLY 14 9.390 -21.278 25.982 87 H THR 15 H THR 15 6.891 -22.697 24.291 88 HA THR 15 HA THR 15 7.367 -20.928 21.983 89 HB THR 15 HB THR 15 5.710 -22.740 20.903 90 HG1 THR 15 1HG THR 15 5.930 -24.693 21.747 91 HG21 THR 15 3HG2 THR 15 8.564 -23.572 21.075 92 HG22 THR 15 1HG2 THR 15 8.137 -22.060 20.272 93 HG23 THR 15 2HG2 THR 15 7.465 -23.585 19.695 94 H SER 16 H SER 16 5.323 -20.292 20.855 95 HA SER 16 HA SER 16 3.310 -19.234 20.880 96 HB2 SER 16 2HB SER 16 2.854 -21.583 22.669 97 HB3 SER 16 1HB SER 16 1.620 -20.322 22.614 98 HG SER 16 HG SER 16 1.336 -22.034 21.054 99 H SER 17 H SER 17 4.173 -17.287 21.669 100 HA SER 17 HA SER 17 3.135 -16.523 24.259 101 HB2 SER 17 2HB SER 17 5.509 -17.453 24.594 102 HB3 SER 17 1HB SER 17 6.060 -16.011 23.743 103 HG SER 17 HG SER 17 4.743 -14.847 25.379 104 H GLY 18 H GLY 18 2.512 -15.803 21.569 105 HA2 GLY 18 2HA GLY 18 1.722 -13.456 21.238 106 HA3 GLY 18 1HA GLY 18 3.383 -12.979 21.549 107 H LYS 19 H LYS 19 2.252 -15.698 19.594 108 HA LYS 19 HA LYS 19 3.107 -14.299 17.166 109 HB2 LYS 19 2HB LYS 19 4.836 -15.988 18.319 110 HB3 LYS 19 1HB LYS 19 3.892 -17.154 17.402 111 HG2 LYS 19 2HG LYS 19 4.308 -15.673 15.381 112 HG3 LYS 19 1HG LYS 19 5.515 -14.850 16.373 113 HD2 LYS 19 2HD LYS 19 5.707 -17.780 16.383 114 HD3 LYS 19 1HD LYS 19 6.005 -17.027 14.815 115 HE2 LYS 19 2HE LYS 19 7.639 -15.510 15.935 116 HE3 LYS 19 1HE LYS 19 7.417 -16.445 17.413 117 HZ1 LYS 19 3HZ LYS 19 9.297 -16.967 15.606 118 HZ2 LYS 19 1HZ LYS 19 8.068 -17.981 15.039 119 HZ3 LYS 19 2HZ LYS 19 8.635 -18.144 16.624 120 H GLN 20 H GLN 20 0.845 -14.162 16.740 121 HA GLN 20 HA GLN 20 -0.214 -16.628 15.572 122 HB2 GLN 20 2HB GLN 20 -1.164 -16.185 17.908 123 HB3 GLN 20 1HB GLN 20 -1.977 -14.801 17.191 124 HG2 GLN 20 2HG GLN 20 -3.633 -16.309 16.943 125 HG3 GLN 20 1HG GLN 20 -2.751 -16.669 15.459 126 HE21 GLN 20 1HE2 GLN 20 -2.957 -18.781 15.169 127 HE22 GLN 20 2HE2 GLN 20 -2.607 -19.998 16.344 128 H LYS 21 H LYS 21 -1.568 -16.335 13.803 129 HA LYS 21 HA LYS 21 -1.416 -13.670 12.601 130 HB2 LYS 21 2HB LYS 21 -1.731 -16.443 11.528 131 HB3 LYS 21 1HB LYS 21 -2.328 -15.092 10.576 132 HG2 LYS 21 2HG LYS 21 -0.160 -15.506 9.792 133 HG3 LYS 21 1HG LYS 21 -0.020 -14.079 10.822 134 HD2 LYS 21 2HD LYS 21 0.345 -16.616 12.239 135 HD3 LYS 21 1HD LYS 21 1.555 -16.306 10.992 136 HE2 LYS 21 2HE LYS 21 0.806 -14.250 13.052 137 HE3 LYS 21 1HE LYS 21 2.059 -15.457 13.341 138 HZ1 LYS 21 3HZ LYS 21 3.291 -13.748 12.502 139 HZ2 LYS 21 1HZ LYS 21 2.058 -13.185 11.487 140 HZ3 LYS 21 2HZ LYS 21 2.939 -14.565 11.063 141 H ARG 22 H ARG 22 -3.112 -12.413 13.068 142 HA ARG 22 HA ARG 22 -5.778 -13.396 12.459 143 HB2 ARG 22 2HB ARG 22 -5.237 -13.789 14.943 144 HB3 ARG 22 1HB ARG 22 -5.329 -12.041 15.107 145 HG2 ARG 22 2HG ARG 22 -7.424 -13.163 15.715 146 HG3 ARG 22 1HG ARG 22 -7.623 -12.049 14.362 147 HD2 ARG 22 2HD ARG 22 -8.120 -13.700 12.908 148 HD3 ARG 22 1HD ARG 22 -6.970 -14.824 13.630 149 HE ARG 22 HE ARG 22 -8.929 -14.684 15.485 150 HH11 ARG 22 1HH1 ARG 22 -8.949 -15.301 12.049 151 HH12 ARG 22 2HH1 ARG 22 -10.349 -16.318 12.115 152 HH21 ARG 22 1HH2 ARG 22 -10.769 -16.022 15.572 153 HH22 ARG 22 2HH2 ARG 22 -11.383 -16.726 14.114 154 H TYR 23 H TYR 23 -3.970 -11.453 11.271 155 HA TYR 23 HA TYR 23 -5.839 -9.273 11.073 156 HB2 TYR 23 2HB TYR 23 -3.091 -8.830 12.246 157 HB3 TYR 23 1HB TYR 23 -4.069 -7.533 11.568 158 HD1 TYR 23 2HD TYR 23 -6.467 -7.276 12.561 159 HD2 TYR 23 1HD TYR 23 -3.298 -9.352 14.500 160 HE1 TYR 23 2HE TYR 23 -7.614 -7.000 14.718 161 HE2 TYR 23 1HE TYR 23 -4.437 -9.082 16.662 162 HH TYR 23 HH TYR 23 -7.682 -7.948 16.905 163 H LYS 24 H LYS 24 -2.821 -8.080 10.240 164 HA LYS 24 HA LYS 24 -1.927 -7.572 8.206 165 HB2 LYS 24 2HB LYS 24 -2.288 -10.555 8.089 166 HB3 LYS 24 1HB LYS 24 -1.549 -9.673 6.759 167 HG2 LYS 24 2HG LYS 24 0.282 -10.345 7.981 168 HG3 LYS 24 1HG LYS 24 0.011 -8.711 8.590 169 HD2 LYS 24 2HD LYS 24 0.262 -9.861 10.562 170 HD3 LYS 24 1HD LYS 24 -1.488 -9.963 10.350 171 HE2 LYS 24 2HE LYS 24 0.064 -12.108 9.069 172 HE3 LYS 24 1HE LYS 24 0.123 -12.087 10.831 173 HZ1 LYS 24 3HZ LYS 24 -1.799 -13.281 9.438 174 HZ2 LYS 24 1HZ LYS 24 -2.509 -11.760 9.651 175 HZ3 LYS 24 2HZ LYS 24 -2.029 -12.665 10.996 176 H PHE 25 H PHE 25 -4.857 -7.380 8.446 177 HA PHE 25 HA PHE 25 -6.125 -8.264 6.106 178 HB2 PHE 25 2HB PHE 25 -6.736 -6.444 8.303 179 HB3 PHE 25 1HB PHE 25 -7.454 -5.945 6.774 180 HD1 PHE 25 2HD PHE 25 -8.931 -7.563 5.546 181 HD2 PHE 25 1HD PHE 25 -7.624 -8.220 9.542 182 HE1 PHE 25 2HE PHE 25 -10.739 -9.201 5.864 183 HE2 PHE 25 1HE PHE 25 -9.429 -9.860 9.866 184 HZ PHE 25 HZ PHE 25 -10.991 -10.351 8.027 185 H SER 26 H SER 26 -6.744 -7.101 4.222 186 HA SER 26 HA SER 26 -4.630 -5.527 3.121 187 HB2 SER 26 2HB SER 26 -6.065 -7.075 1.768 188 HB3 SER 26 1HB SER 26 -7.415 -5.967 2.007 189 HG SER 26 HG SER 26 -5.013 -5.533 0.586 190 H ALA 27 H ALA 27 -5.166 -4.194 5.259 191 HA ALA 27 HA ALA 27 -5.614 -1.595 4.630 192 HB1 ALA 27 1HB ALA 27 -7.836 -1.822 4.006 193 HB2 ALA 27 2HB ALA 27 -7.968 -1.339 5.698 194 HB3 ALA 27 3HB ALA 27 -8.167 -3.033 5.245 195 H SER 28 H SER 28 -5.896 -4.208 6.940 196 HA SER 28 HA SER 28 -6.133 -2.846 9.338 197 HB2 SER 28 2HB SER 28 -5.076 -5.441 8.480 198 HB3 SER 28 1HB SER 28 -4.323 -4.833 9.953 199 HG SER 28 HG SER 28 -6.341 -4.695 10.900 200 H GLU 29 H GLU 29 -3.399 -3.057 7.190 201 HA GLU 29 HA GLU 29 -1.324 -2.326 8.900 202 HB2 GLU 29 2HB GLU 29 -0.243 -1.387 6.831 203 HB3 GLU 29 1HB GLU 29 -0.796 -3.050 6.692 204 HG2 GLU 29 2HG GLU 29 -1.673 -2.340 4.763 205 HG3 GLU 29 1HG GLU 29 -2.972 -1.736 5.790 206 H ASP 30 H ASP 30 -3.466 -0.239 6.971 207 HA ASP 30 HA ASP 30 -2.372 2.219 7.682 208 HB2 ASP 30 2HB ASP 30 -4.065 1.892 5.899 209 HB3 ASP 30 1HB ASP 30 -5.287 1.618 7.138 210 H GLU 31 H GLU 31 -4.551 0.115 9.423 211 HA GLU 31 HA GLU 31 -5.353 2.013 11.382 212 HB2 GLU 31 2HB GLU 31 -5.549 -0.938 11.053 213 HB3 GLU 31 1HB GLU 31 -5.740 -0.292 12.677 214 HG2 GLU 31 2HG GLU 31 -7.668 0.867 12.130 215 HG3 GLU 31 1HG GLU 31 -7.307 0.849 10.405 216 H ALA 32 H ALA 32 -2.615 -0.105 11.014 217 HA ALA 32 HA ALA 32 -1.743 0.085 13.732 218 HB1 ALA 32 1HB ALA 32 0.257 -0.554 11.667 219 HB2 ALA 32 2HB ALA 32 -1.152 -1.614 11.722 220 HB3 ALA 32 3HB ALA 32 -0.149 -1.404 13.157 221 H ILE 33 H ILE 33 -1.080 1.825 10.751 222 HA ILE 33 HA ILE 33 1.088 3.339 11.851 223 HB ILE 33 HB ILE 33 -0.529 4.268 9.503 224 HG12 ILE 33 2HG1 ILE 33 1.676 2.200 9.399 225 HG13 ILE 33 1HG1 ILE 33 -0.038 1.839 9.235 226 HG21 ILE 33 1HG2 ILE 33 1.421 5.541 10.632 227 HG22 ILE 33 2HG2 ILE 33 1.386 5.411 8.874 228 HG23 ILE 33 3HG2 ILE 33 2.445 4.361 9.815 229 HD11 ILE 33 3HD1 ILE 33 1.084 1.941 7.076 230 HD12 ILE 33 1HD1 ILE 33 1.555 3.610 7.399 231 HD13 ILE 33 2HD1 ILE 33 -0.150 3.191 7.226 232 H ILE 34 H ILE 34 -2.364 3.891 11.355 233 HA ILE 34 HA ILE 34 -2.329 6.589 12.204 234 HB ILE 34 HB ILE 34 -4.770 6.354 12.518 235 HG12 ILE 34 2HG1 ILE 34 -5.582 4.009 11.540 236 HG13 ILE 34 1HG1 ILE 34 -4.066 3.476 12.255 237 HG21 ILE 34 1HG2 ILE 34 -4.451 4.986 9.955 238 HG22 ILE 34 2HG2 ILE 34 -3.351 6.346 10.185 239 HG23 ILE 34 3HG2 ILE 34 -5.093 6.588 10.317 240 HD11 ILE 34 3HD1 ILE 34 -5.621 5.145 14.048 241 HD12 ILE 34 1HD1 ILE 34 -4.895 3.558 14.314 242 HD13 ILE 34 2HD1 ILE 34 -6.475 3.687 13.541 243 H LYS 35 H LYS 35 -2.661 3.514 13.871 244 HA LYS 35 HA LYS 35 -3.390 4.631 16.395 245 HB2 LYS 35 2HB LYS 35 -2.739 1.984 15.319 246 HB3 LYS 35 1HB LYS 35 -2.173 2.217 16.967 247 HG2 LYS 35 2HG LYS 35 -4.644 3.149 17.268 248 HG3 LYS 35 1HG LYS 35 -4.932 2.062 15.909 249 HD2 LYS 35 2HD LYS 35 -4.087 0.190 17.139 250 HD3 LYS 35 1HD LYS 35 -3.537 1.236 18.449 251 HE2 LYS 35 2HE LYS 35 -5.493 0.528 19.366 252 HE3 LYS 35 1HE LYS 35 -6.104 1.913 18.465 253 HZ1 LYS 35 3HZ LYS 35 -6.488 -0.931 17.983 254 HZ2 LYS 35 1HZ LYS 35 -6.300 0.040 16.611 255 HZ3 LYS 35 2HZ LYS 35 -7.541 0.364 17.712 256 H GLY 36 H GLY 36 -0.381 3.856 14.779 257 HA2 GLY 36 2HA GLY 36 1.290 4.239 17.068 258 HA3 GLY 36 1HA GLY 36 1.818 4.149 15.395 259 H LEU 37 H LEU 37 0.023 6.324 14.567 260 HA LEU 37 HA LEU 37 1.807 8.502 15.136 261 HB2 LEU 37 2HB LEU 37 -0.521 8.034 13.355 262 HB3 LEU 37 1HB LEU 37 -0.178 9.697 13.792 263 HG LEU 37 HG LEU 37 2.066 8.027 12.761 264 HD11 LEU 37 1HD1 LEU 37 1.406 7.990 10.595 265 HD12 LEU 37 2HD1 LEU 37 0.427 9.448 10.750 266 HD13 LEU 37 3HD1 LEU 37 -0.190 7.904 11.341 267 HD21 LEU 37 3HD2 LEU 37 2.968 10.061 12.110 268 HD22 LEU 37 1HD2 LEU 37 2.135 10.472 13.609 269 HD23 LEU 37 2HD2 LEU 37 1.395 10.858 12.056 270 H ALA 38 H ALA 38 -1.375 7.489 16.180 271 HA ALA 38 HA ALA 38 -1.898 10.001 17.533 272 HB1 ALA 38 1HB ALA 38 -3.764 8.912 16.497 273 HB2 ALA 38 2HB ALA 38 -3.996 8.887 18.245 274 HB3 ALA 38 3HB ALA 38 -3.462 7.432 17.406 275 H ARG 39 H ARG 39 -0.218 7.160 18.279 276 HA ARG 39 HA ARG 39 -0.740 7.431 21.146 277 HB2 ARG 39 2HB ARG 39 -0.662 5.182 19.736 278 HB3 ARG 39 1HB ARG 39 1.057 5.309 20.085 279 HG2 ARG 39 2HG ARG 39 0.497 4.149 21.922 280 HG3 ARG 39 1HG ARG 39 0.042 5.739 22.541 281 HD2 ARG 39 2HD ARG 39 -2.256 5.208 21.443 282 HD3 ARG 39 1HD ARG 39 -1.696 3.538 21.503 283 HE ARG 39 HE ARG 39 -2.551 5.160 23.713 284 HH11 ARG 39 1HH1 ARG 39 -0.597 2.429 22.769 285 HH12 ARG 39 2HH1 ARG 39 -0.650 1.690 24.334 286 HH21 ARG 39 1HH2 ARG 39 -2.622 4.191 25.772 287 HH22 ARG 39 2HH2 ARG 39 -1.799 2.690 26.039 288 H PHE 40 H PHE 40 1.973 7.308 18.871 289 HA PHE 40 HA PHE 40 3.496 9.004 20.702 290 HB2 PHE 40 2HB PHE 40 5.520 7.601 20.407 291 HB3 PHE 40 1HB PHE 40 4.231 6.761 21.262 292 HD1 PHE 40 2HD PHE 40 3.052 4.915 20.234 293 HD2 PHE 40 1HD PHE 40 6.191 6.933 18.187 294 HE1 PHE 40 2HE PHE 40 3.178 3.068 18.613 295 HE2 PHE 40 1HE PHE 40 6.321 5.091 16.563 296 HZ PHE 40 HZ PHE 40 4.814 3.154 16.775 297 H THR 41 H THR 41 4.877 10.419 19.718 298 HA THR 41 HA THR 41 5.593 10.138 16.945 299 HB THR 41 HB THR 41 4.558 12.281 16.247 300 HG1 THR 41 1HG THR 41 4.295 13.132 18.381 301 HG21 THR 41 3HG2 THR 41 2.453 10.414 17.298 302 HG22 THR 41 1HG2 THR 41 3.392 10.116 15.835 303 HG23 THR 41 2HG2 THR 41 2.334 11.524 15.931 304 H LYS 42 H LYS 42 6.940 10.403 19.502 305 HA LYS 42 HA LYS 42 8.269 13.007 19.174 306 HB2 LYS 42 2HB LYS 42 7.665 11.300 21.512 307 HB3 LYS 42 1HB LYS 42 9.242 12.077 21.524 308 HG2 LYS 42 2HG LYS 42 8.370 14.062 22.014 309 HG3 LYS 42 1HG LYS 42 7.123 13.911 20.775 310 HD2 LYS 42 2HD LYS 42 6.941 12.410 23.369 311 HD3 LYS 42 1HD LYS 42 6.380 14.079 23.232 312 HE2 LYS 42 2HE LYS 42 4.653 13.526 21.821 313 HE3 LYS 42 1HE LYS 42 5.467 12.085 21.216 314 HZ1 LYS 42 3HZ LYS 42 3.769 11.272 22.554 315 HZ2 LYS 42 1HZ LYS 42 4.003 12.440 23.755 316 HZ3 LYS 42 2HZ LYS 42 5.123 11.188 23.563 317 H GLY 43 H GLY 43 9.362 11.979 17.299 318 HA2 GLY 43 2HA GLY 43 11.995 11.175 18.016 319 HA3 GLY 43 1HA GLY 43 11.071 9.803 17.422 320 H GLN 44 H GLN 44 13.304 10.532 16.091 321 HA GLN 44 HA GLN 44 12.933 12.384 14.005 322 HB2 GLN 44 2HB GLN 44 14.664 9.902 14.113 323 HB3 GLN 44 1HB GLN 44 14.773 11.145 12.874 324 HG2 GLN 44 2HG GLN 44 14.986 12.589 15.193 325 HG3 GLN 44 1HG GLN 44 15.837 11.096 15.583 326 HE21 GLN 44 1HE2 GLN 44 17.221 13.415 15.518 327 HE22 GLN 44 2HE2 GLN 44 18.266 13.457 14.143 328 H GLN 45 H GLN 45 10.795 12.014 13.314 329 HA GLN 45 HA GLN 45 9.351 11.346 11.665 330 HB2 GLN 45 2HB GLN 45 11.529 9.352 11.062 331 HB3 GLN 45 1HB GLN 45 9.993 9.361 10.213 332 HG2 GLN 45 2HG GLN 45 10.533 11.151 8.978 333 HG3 GLN 45 1HG GLN 45 11.355 11.956 10.314 334 HE21 GLN 45 1HE2 GLN 45 12.006 11.301 7.402 335 HE22 GLN 45 2HE2 GLN 45 13.607 10.652 7.480 336 H ARG 46 H ARG 46 7.707 10.758 12.977 337 HA ARG 46 HA ARG 46 7.739 8.383 14.558 338 HB2 ARG 46 2HB ARG 46 5.428 8.952 15.099 339 HB3 ARG 46 1HB ARG 46 6.462 10.369 15.221 340 HG2 ARG 46 2HG ARG 46 5.105 9.929 12.632 341 HG3 ARG 46 1HG ARG 46 4.095 10.396 14.000 342 HD2 ARG 46 2HD ARG 46 6.434 12.023 13.996 343 HD3 ARG 46 1HD ARG 46 5.738 12.038 12.377 344 HE ARG 46 HE ARG 46 3.776 12.445 14.417 345 HH11 ARG 46 1HH1 ARG 46 6.234 14.031 12.512 346 HH12 ARG 46 2HH1 ARG 46 5.503 15.594 12.641 347 HH21 ARG 46 1HH2 ARG 46 2.814 14.503 14.588 348 HH22 ARG 46 2HH2 ARG 46 3.562 15.864 13.820 349 H PHE 47 H PHE 47 6.632 9.201 11.357 350 HA PHE 47 HA PHE 47 4.835 7.105 10.916 351 HB2 PHE 47 2HB PHE 47 6.675 8.393 8.891 352 HB3 PHE 47 1HB PHE 47 5.196 7.506 8.539 353 HD1 PHE 47 1HD PHE 47 3.016 8.440 9.518 354 HD2 PHE 47 2HD PHE 47 6.616 10.688 9.213 355 HE1 PHE 47 1HE PHE 47 1.722 10.527 9.681 356 HE2 PHE 47 2HE PHE 47 5.329 12.779 9.376 357 HZ PHE 47 HZ PHE 47 2.878 12.700 9.611 358 H GLN 48 H GLN 48 8.326 7.276 10.226 359 HA GLN 48 HA GLN 48 8.525 4.633 9.244 360 HB2 GLN 48 2HB GLN 48 10.930 4.919 9.442 361 HB3 GLN 48 1HB GLN 48 10.204 6.377 8.780 362 HG2 GLN 48 2HG GLN 48 10.398 7.500 10.892 363 HG3 GLN 48 1HG GLN 48 10.960 6.019 11.670 364 HE21 GLN 48 1HE2 GLN 48 13.009 6.302 12.182 365 HE22 GLN 48 2HE2 GLN 48 14.239 6.929 11.144 366 H GLN 49 H GLN 49 8.931 6.034 12.461 367 HA GLN 49 HA GLN 49 10.000 3.813 13.769 368 HB2 GLN 49 2HB GLN 49 9.358 6.318 14.538 369 HB3 GLN 49 1HB GLN 49 8.026 5.433 15.269 370 HG2 GLN 49 2HG GLN 49 9.579 4.032 16.483 371 HG3 GLN 49 1HG GLN 49 10.942 4.823 15.695 372 HE21 GLN 49 1HE2 GLN 49 10.579 7.384 15.868 373 HE22 GLN 49 2HE2 GLN 49 10.367 7.925 17.494 374 H ILE 50 H ILE 50 6.595 4.778 13.387 375 HA ILE 50 HA ILE 50 5.456 2.608 14.736 376 HB ILE 50 HB ILE 50 4.279 4.109 12.392 377 HG12 ILE 50 2HG1 ILE 50 3.677 4.683 15.275 378 HG13 ILE 50 1HG1 ILE 50 5.096 5.394 14.516 379 HG21 ILE 50 1HG2 ILE 50 2.979 2.175 12.740 380 HG22 ILE 50 2HG2 ILE 50 2.114 3.480 13.551 381 HG23 ILE 50 3HG2 ILE 50 3.068 2.335 14.494 382 HD11 ILE 50 3HD1 ILE 50 3.143 6.881 14.493 383 HD12 ILE 50 1HD1 ILE 50 2.277 5.697 13.513 384 HD13 ILE 50 2HD1 ILE 50 3.718 6.488 12.873 385 H TYR 51 H TYR 51 6.339 3.027 11.343 386 HA TYR 51 HA TYR 51 5.288 0.664 10.318 387 HB2 TYR 51 2HB TYR 51 6.219 2.484 8.927 388 HB3 TYR 51 1HB TYR 51 7.838 2.047 9.466 389 HD1 TYR 51 2HD TYR 51 4.848 0.491 7.853 390 HD2 TYR 51 1HD TYR 51 9.090 0.636 8.130 391 HE1 TYR 51 2HE TYR 51 5.016 -1.131 6.015 392 HE2 TYR 51 1HE TYR 51 9.271 -0.986 6.290 393 HH TYR 51 HH TYR 51 7.372 -2.946 5.373 394 H TYR 52 H TYR 52 8.387 1.282 11.874 395 HA TYR 52 HA TYR 52 9.435 -1.321 11.474 396 HB2 TYR 52 2HB TYR 52 10.159 0.974 13.270 397 HB3 TYR 52 1HB TYR 52 10.951 -0.587 13.461 398 HD1 TYR 52 1HD TYR 52 9.916 1.274 10.394 399 HD2 TYR 52 2HD TYR 52 13.117 -0.356 12.673 400 HE1 TYR 52 1HE TYR 52 11.487 1.859 8.593 401 HE2 TYR 52 2HE TYR 52 14.697 0.226 10.880 402 HH TYR 52 HH TYR 52 13.904 0.848 7.859 403 H ALA 53 H ALA 53 7.424 0.100 13.973 404 HA ALA 53 HA ALA 53 7.756 -2.104 15.779 405 HB1 ALA 53 1HB ALA 53 5.331 -0.443 16.014 406 HB2 ALA 53 2HB ALA 53 6.869 0.416 16.116 407 HB3 ALA 53 3HB ALA 53 6.517 -0.900 17.237 408 H TYR 54 H TYR 54 5.111 -1.003 13.692 409 HA TYR 54 HA TYR 54 3.669 -3.466 14.045 410 HB2 TYR 54 2HB TYR 54 1.880 -2.346 13.274 411 HB3 TYR 54 1HB TYR 54 2.883 -0.921 13.486 412 HD1 TYR 54 2HD TYR 54 1.431 -3.244 11.053 413 HD2 TYR 54 1HD TYR 54 3.769 0.266 11.572 414 HE1 TYR 54 2HE TYR 54 1.150 -2.715 8.669 415 HE2 TYR 54 1HE TYR 54 3.490 0.812 9.193 416 HH TYR 54 HH TYR 54 2.960 -0.816 6.981 417 H ARG 55 H ARG 55 6.396 -2.981 12.387 418 HA ARG 55 HA ARG 55 5.972 -3.746 9.766 419 HB2 ARG 55 2HB ARG 55 8.263 -4.668 9.811 420 HB3 ARG 55 1HB ARG 55 8.162 -3.079 10.556 421 HG2 ARG 55 2HG ARG 55 9.454 -4.134 12.093 422 HG3 ARG 55 1HG ARG 55 7.861 -4.511 12.752 423 HD2 ARG 55 2HD ARG 55 7.909 -6.691 11.701 424 HD3 ARG 55 1HD ARG 55 9.442 -6.311 10.920 425 HE ARG 55 HE ARG 55 9.527 -6.110 13.784 426 HH11 ARG 55 1HH1 ARG 55 9.835 -8.271 11.062 427 HH12 ARG 55 2HH1 ARG 55 10.821 -9.409 11.917 428 HH21 ARG 55 1HH2 ARG 55 10.822 -7.605 14.910 429 HH22 ARG 55 2HH2 ARG 55 11.380 -9.033 14.103 430 H SER 56 H SER 56 5.694 -5.666 12.642 431 HA SER 56 HA SER 56 6.029 -8.229 11.577 432 HB2 SER 56 2HB SER 56 4.169 -8.689 13.480 433 HB3 SER 56 1HB SER 56 5.869 -8.397 13.844 434 HG SER 56 HG SER 56 5.369 -6.524 14.679 435 H VAL 57 H VAL 57 3.517 -5.939 11.104 436 HA VAL 57 HA VAL 57 1.504 -7.854 10.337 437 HB VAL 57 HB VAL 57 1.589 -4.851 10.019 438 HG11 VAL 57 1HG1 VAL 57 0.057 -5.497 8.406 439 HG12 VAL 57 2HG1 VAL 57 -0.962 -5.241 9.824 440 HG13 VAL 57 3HG1 VAL 57 -0.505 -6.877 9.349 441 HG21 VAL 57 3HG2 VAL 57 0.419 -4.668 11.999 442 HG22 VAL 57 1HG2 VAL 57 1.520 -5.998 12.351 443 HG23 VAL 57 2HG2 VAL 57 -0.161 -6.332 11.933 444 H TRP 58 H TRP 58 2.900 -5.137 8.497 445 HA TRP 58 HA TRP 58 2.310 -6.443 6.009 446 HB2 TRP 58 2HB TRP 58 2.949 -3.785 6.889 447 HB3 TRP 58 1HB TRP 58 3.987 -4.221 5.535 448 HD1 TRP 58 HD TRP 58 2.785 -2.585 3.856 449 HE1 TRP 58 1HE TRP 58 0.516 -2.665 2.650 450 HE3 TRP 58 3HE TRP 58 0.522 -6.251 6.617 451 HZ2 TRP 58 2HZ TRP 58 -1.908 -4.090 2.840 452 HZ3 TRP 58 3HZ TRP 58 -1.774 -6.910 6.036 453 HH2 TRP 58 HH TRP 58 -2.962 -5.851 4.186 454 H HIS 59 H HIS 59 5.423 -4.862 6.637 455 HA HIS 59 HA HIS 59 6.878 -7.333 6.452 456 HB2 HIS 59 2HB HIS 59 6.127 -6.280 4.044 457 HB3 HIS 59 1HB HIS 59 7.713 -5.548 4.268 458 HD1 HIS 59 1HD HIS 59 6.165 -9.024 4.387 459 HD2 HIS 59 2HD HIS 59 9.744 -7.134 3.445 460 HE1 HIS 59 1HE HIS 59 7.670 -10.835 3.505 461 HE2 HIS 59 2HE HIS 59 9.796 -9.651 2.853 462 HA PRO 60 HA PRO 60 9.808 -4.737 8.539 463 HB2 PRO 60 2HB PRO 60 11.886 -6.701 8.206 464 HB3 PRO 60 1HB PRO 60 10.899 -6.390 9.633 465 HG2 PRO 60 2HG PRO 60 10.765 -8.687 8.128 466 HG3 PRO 60 1HG PRO 60 9.448 -8.080 9.147 467 HD2 PRO 60 2HD PRO 60 9.824 -7.838 6.188 468 HD3 PRO 60 1HD PRO 60 8.342 -8.144 7.118 469 H ALA 61 H ALA 61 12.590 -4.865 8.151 470 HA ALA 61 HA ALA 61 14.278 -3.971 6.918 471 HB1 ALA 61 1HB ALA 61 12.779 -4.558 4.395 472 HB2 ALA 61 2HB ALA 61 13.459 -5.866 5.363 473 HB3 ALA 61 3HB ALA 61 14.515 -4.618 4.704 474 H ARG 62 H ARG 62 14.796 -2.222 5.298 475 HA ARG 62 HA ARG 62 13.350 0.105 5.925 476 HB2 ARG 62 2HB ARG 62 15.455 -0.502 3.862 477 HB3 ARG 62 1HB ARG 62 14.733 1.096 4.000 478 HG2 ARG 62 2HG ARG 62 15.669 1.478 6.090 479 HG3 ARG 62 1HG ARG 62 15.951 -0.240 6.383 480 HD2 ARG 62 2HD ARG 62 18.023 1.024 5.888 481 HD3 ARG 62 1HD ARG 62 17.712 -0.283 4.746 482 HE ARG 62 HE ARG 62 17.540 1.271 3.082 483 HH11 ARG 62 1HH1 ARG 62 17.199 2.891 6.155 484 HH12 ARG 62 2HH1 ARG 62 17.206 4.477 5.460 485 HH21 ARG 62 1HH2 ARG 62 17.550 3.357 2.167 486 HH22 ARG 62 2HH2 ARG 62 17.406 4.743 3.197 487 H THR 63 H THR 63 11.431 0.710 5.202 488 HA THR 63 HA THR 63 10.806 0.633 2.393 489 HB THR 63 HB THR 63 8.936 -0.850 4.231 490 HG1 THR 63 1HG THR 63 10.835 -2.016 2.484 491 HG21 THR 63 3HG2 THR 63 8.562 -1.921 1.812 492 HG22 THR 63 1HG2 THR 63 9.028 -0.287 1.344 493 HG23 THR 63 2HG2 THR 63 7.650 -0.536 2.415 494 H VAL 64 H VAL 64 11.077 2.578 4.600 495 HA VAL 64 HA VAL 64 8.598 3.535 5.468 496 HB VAL 64 HB VAL 64 11.111 5.119 4.900 497 HG11 VAL 64 1HG1 VAL 64 9.100 6.531 5.054 498 HG12 VAL 64 2HG1 VAL 64 10.206 6.795 6.404 499 HG13 VAL 64 3HG1 VAL 64 8.746 5.831 6.635 500 HG21 VAL 64 3HG2 VAL 64 11.632 3.440 6.486 501 HG22 VAL 64 1HG2 VAL 64 10.113 3.680 7.348 502 HG23 VAL 64 2HG2 VAL 64 11.365 4.919 7.409 503 H SER 65 H SER 65 10.245 3.845 2.411 504 HA SER 65 HA SER 65 8.893 6.048 1.343 505 HB2 SER 65 2HB SER 65 10.811 4.314 0.420 506 HB3 SER 65 1HB SER 65 9.419 3.878 -0.571 507 HG SER 65 HG SER 65 11.020 6.005 -0.786 508 H GLN 66 H GLN 66 8.105 2.599 1.261 509 HA GLN 66 HA GLN 66 5.732 2.814 -0.227 510 HB2 GLN 66 2HB GLN 66 7.179 0.754 0.977 511 HB3 GLN 66 1HB GLN 66 5.621 0.720 1.789 512 HG2 GLN 66 2HG GLN 66 4.801 -0.410 0.078 513 HG3 GLN 66 1HG GLN 66 5.061 1.004 -0.942 514 HE21 GLN 66 1HE2 GLN 66 5.498 -2.144 -0.929 515 HE22 GLN 66 2HE2 GLN 66 6.979 -2.289 -1.806 516 H LEU 67 H LEU 67 6.411 3.075 3.211 517 HA LEU 67 HA LEU 67 3.813 3.139 4.215 518 HB2 LEU 67 2HB LEU 67 6.160 3.187 5.396 519 HB3 LEU 67 1HB LEU 67 5.930 4.924 5.339 520 HG LEU 67 HG LEU 67 5.233 4.046 7.491 521 HD11 LEU 67 1HD1 LEU 67 3.080 5.059 7.626 522 HD12 LEU 67 2HD1 LEU 67 2.797 4.819 5.902 523 HD13 LEU 67 3HD1 LEU 67 4.026 5.962 6.443 524 HD21 LEU 67 3HD2 LEU 67 3.868 2.267 7.806 525 HD22 LEU 67 1HD2 LEU 67 4.498 1.813 6.223 526 HD23 LEU 67 2HD2 LEU 67 2.923 2.594 6.352 527 H TYR 68 H TYR 68 5.872 5.782 3.101 528 HA TYR 68 HA TYR 68 3.994 7.839 3.524 529 HB2 TYR 68 2HB TYR 68 6.422 7.584 1.760 530 HB3 TYR 68 1HB TYR 68 5.417 9.031 1.728 531 HD1 TYR 68 2HD TYR 68 6.501 6.898 4.597 532 HD2 TYR 68 1HD TYR 68 6.660 10.718 2.727 533 HE1 TYR 68 2HE TYR 68 7.724 7.787 6.532 534 HE2 TYR 68 1HE TYR 68 7.886 11.617 4.659 535 HH TYR 68 HH TYR 68 9.240 9.629 7.067 536 H ASP 69 H ASP 69 4.436 5.494 0.998 537 HA ASP 69 HA ASP 69 2.918 6.777 -1.007 538 HB2 ASP 69 2HB ASP 69 4.390 4.403 -0.786 539 HB3 ASP 69 1HB ASP 69 2.749 3.894 -1.167 540 H HIS 70 H HIS 70 2.028 4.279 1.371 541 HA HIS 70 HA HIS 70 -0.731 4.354 0.550 542 HB2 HIS 70 2HB HIS 70 -0.417 3.264 3.208 543 HB3 HIS 70 1HB HIS 70 -0.945 2.465 1.735 544 HD1 HIS 70 1HD HIS 70 1.731 2.519 4.156 545 HD2 HIS 70 2HD HIS 70 1.339 1.455 0.161 546 HE1 HIS 70 1HE HIS 70 3.724 1.082 3.650 547 HE2 HIS 70 2HE HIS 70 3.397 0.340 1.262 548 H TRP 71 H TRP 71 1.253 5.904 2.933 549 HA TRP 71 HA TRP 71 -0.902 6.980 4.470 550 HB2 TRP 71 2HB TRP 71 1.442 6.585 5.313 551 HB3 TRP 71 1HB TRP 71 1.952 7.966 4.346 552 HD1 TRP 71 HD TRP 71 2.255 10.004 5.848 553 HE1 TRP 71 1HE TRP 71 1.032 11.013 7.875 554 HE3 TRP 71 3HE TRP 71 -1.385 6.465 6.443 555 HZ2 TRP 71 2HZ TRP 71 -1.184 10.391 9.509 556 HZ3 TRP 71 3HZ TRP 71 -3.018 6.747 8.263 557 HH2 TRP 71 HH TRP 71 -2.917 8.670 9.763 558 H ARG 72 H ARG 72 0.966 8.007 1.688 559 HA ARG 72 HA ARG 72 -0.022 10.714 1.761 560 HB2 ARG 72 2HB ARG 72 2.180 10.179 0.789 561 HB3 ARG 72 1HB ARG 72 1.391 9.222 -0.457 562 HG2 ARG 72 2HG ARG 72 1.568 11.110 -1.653 563 HG3 ARG 72 1HG ARG 72 0.106 11.568 -0.775 564 HD2 ARG 72 2HD ARG 72 2.667 12.134 0.579 565 HD3 ARG 72 1HD ARG 72 2.333 13.080 -0.872 566 HE ARG 72 HE ARG 72 0.034 13.274 0.544 567 HH11 ARG 72 1HH1 ARG 72 3.384 13.857 1.330 568 HH12 ARG 72 2HH1 ARG 72 3.026 15.091 2.491 569 HH21 ARG 72 1HH2 ARG 72 -0.438 14.897 2.070 570 HH22 ARG 72 2HH2 ARG 72 0.857 15.681 2.912 571 H GLY 73 H GLY 73 -0.890 7.697 0.230 572 HA2 GLY 73 2HA GLY 73 -2.766 8.879 -1.604 573 HA3 GLY 73 1HA GLY 73 -2.574 7.166 -1.268 574 H THR 74 H THR 74 -2.889 7.589 1.639 575 HA THR 74 HA THR 74 -5.771 7.453 1.694 576 HB THR 74 HB THR 74 -5.311 7.120 4.211 577 HG1 THR 74 1HG THR 74 -3.197 6.620 4.725 578 HG21 THR 74 3HG2 THR 74 -4.846 4.848 3.979 579 HG22 THR 74 1HG2 THR 74 -3.930 5.095 2.493 580 HG23 THR 74 2HG2 THR 74 -5.682 5.286 2.491 581 H LEU 75 H LEU 75 -3.251 9.642 2.830 582 HA LEU 75 HA LEU 75 -5.155 11.389 4.129 583 HB2 LEU 75 2HB LEU 75 -2.549 10.899 4.589 584 HB3 LEU 75 1HB LEU 75 -2.401 12.324 3.578 585 HG LEU 75 HG LEU 75 -2.385 13.024 5.868 586 HD11 LEU 75 1HD1 LEU 75 -3.509 14.573 4.479 587 HD12 LEU 75 2HD1 LEU 75 -4.484 14.417 5.939 588 HD13 LEU 75 3HD1 LEU 75 -4.978 13.598 4.458 589 HD21 LEU 75 3HD2 LEU 75 -4.860 11.335 6.102 590 HD22 LEU 75 1HD2 LEU 75 -4.454 12.586 7.278 591 HD23 LEU 75 2HD2 LEU 75 -3.361 11.224 7.028 592 H ARG 76 H ARG 76 -2.692 12.038 1.629 593 HA ARG 76 HA ARG 76 -2.690 13.413 -0.182 594 HB2 ARG 76 2HB ARG 76 -5.576 12.596 -0.052 595 HB3 ARG 76 1HB ARG 76 -5.031 13.756 -1.256 596 HG2 ARG 76 2HG ARG 76 -3.208 11.682 -1.450 597 HG3 ARG 76 1HG ARG 76 -4.756 10.876 -1.195 598 HD2 ARG 76 2HD ARG 76 -5.159 11.166 -3.364 599 HD3 ARG 76 1HD ARG 76 -5.305 12.891 -3.035 600 HE ARG 76 HE ARG 76 -2.648 12.575 -3.348 601 HH11 ARG 76 1HH1 ARG 76 -5.381 11.594 -5.287 602 HH12 ARG 76 2HH1 ARG 76 -4.513 11.688 -6.781 603 HH21 ARG 76 1HH2 ARG 76 -1.506 12.699 -5.314 604 HH22 ARG 76 2HH2 ARG 76 -2.313 12.314 -6.796 605 H TYR 77 H TYR 77 -3.606 15.535 -1.057 606 HA TYR 77 HA TYR 77 -4.728 17.219 1.057 607 HB2 TYR 77 2HB TYR 77 -3.016 18.992 0.475 608 HB3 TYR 77 1HB TYR 77 -2.398 17.601 1.358 609 HD1 TYR 77 1HD TYR 77 -1.219 15.771 0.028 610 HD2 TYR 77 2HD TYR 77 -2.082 19.613 -1.584 611 HE1 TYR 77 1HE TYR 77 0.478 15.416 -1.712 612 HE2 TYR 77 2HE TYR 77 -0.388 19.267 -3.331 613 HH TYR 77 HH TYR 77 1.948 16.945 -3.194 614 H LYS 78 H LYS 78 -3.564 17.181 -2.309 615 HA LYS 78 HA LYS 78 -6.031 17.912 -3.419 616 HB2 LYS 78 2HB LYS 78 -4.600 20.099 -2.301 617 HB3 LYS 78 1HB LYS 78 -4.526 20.260 -4.049 618 HG2 LYS 78 2HG LYS 78 -6.641 20.920 -4.161 619 HG3 LYS 78 1HG LYS 78 -7.187 19.564 -3.174 620 HD2 LYS 78 2HD LYS 78 -6.142 20.985 -1.224 621 HD3 LYS 78 1HD LYS 78 -6.395 22.317 -2.353 622 HE2 LYS 78 2HE LYS 78 -8.597 20.380 -1.746 623 HE3 LYS 78 1HE LYS 78 -8.262 21.731 -0.664 624 HZ1 LYS 78 3HZ LYS 78 -8.847 21.995 -3.563 625 HZ2 LYS 78 1HZ LYS 78 -8.637 23.262 -2.461 626 HZ3 LYS 78 2HZ LYS 78 -9.975 22.237 -2.328 627 H VAL 79 H VAL 79 -5.663 18.821 -5.759 628 HA VAL 79 HA VAL 79 -4.111 16.928 -7.143 629 HB VAL 79 HB VAL 79 -4.557 18.342 -9.160 630 HG11 VAL 79 1HG1 VAL 79 -6.758 17.462 -7.327 631 HG12 VAL 79 2HG1 VAL 79 -6.150 16.688 -8.791 632 HG13 VAL 79 3HG1 VAL 79 -7.116 18.160 -8.906 633 HG21 VAL 79 3HG2 VAL 79 -6.212 20.069 -7.340 634 HG22 VAL 79 1HG2 VAL 79 -5.802 20.333 -9.034 635 HG23 VAL 79 2HG2 VAL 79 -4.560 20.490 -7.792 636 H ILE 80 H ILE 80 -2.552 17.751 -8.961 637 HA ILE 80 HA ILE 80 -0.636 19.648 -7.773 638 HB ILE 80 HB ILE 80 0.155 17.181 -9.316 639 HG12 ILE 80 2HG1 ILE 80 1.036 16.569 -6.907 640 HG13 ILE 80 1HG1 ILE 80 -0.266 17.635 -6.388 641 HG21 ILE 80 1HG2 ILE 80 2.019 18.560 -7.494 642 HG22 ILE 80 2HG2 ILE 80 1.575 19.431 -8.960 643 HG23 ILE 80 3HG2 ILE 80 2.304 17.830 -9.074 644 HD11 ILE 80 3HD1 ILE 80 -1.898 16.210 -7.097 645 HD12 ILE 80 1HD1 ILE 80 -0.638 15.057 -6.660 646 HD13 ILE 80 2HD1 ILE 80 -0.885 15.493 -8.350 647 H GLN 81 H GLN 81 -1.352 21.323 -9.112 648 HA GLN 81 HA GLN 81 -1.470 21.009 -11.964 649 HB2 GLN 81 2HB GLN 81 -1.658 23.399 -10.137 650 HB3 GLN 81 1HB GLN 81 -1.703 23.547 -11.889 651 HG2 GLN 81 2HG GLN 81 -3.631 21.950 -10.218 652 HG3 GLN 81 1HG GLN 81 -3.938 23.547 -10.901 653 HE21 GLN 81 1HE2 GLN 81 -5.382 21.078 -11.347 654 HE22 GLN 81 2HE2 GLN 81 -5.304 20.763 -13.043 655 H GLN 82 H GLN 82 -0.259 22.787 -13.294 656 HA GLN 82 HA GLN 82 2.584 22.465 -12.666 657 HB2 GLN 82 2HB GLN 82 1.221 23.264 -15.244 658 HB3 GLN 82 1HB GLN 82 2.956 23.065 -15.036 659 HG2 GLN 82 2HG GLN 82 2.754 20.929 -15.549 660 HG3 GLN 82 1HG GLN 82 1.750 20.690 -14.120 661 HE21 GLN 82 1HE2 GLN 82 -0.565 21.134 -14.377 662 HE22 GLN 82 2HE2 GLN 82 -1.313 20.761 -15.889 663 H GLN 83 H GLN 83 0.959 24.437 -11.299 664 HA GLN 83 HA GLN 83 2.474 26.827 -12.074 665 HB2 GLN 83 2HB GLN 83 -0.183 26.626 -12.630 666 HB3 GLN 83 1HB GLN 83 -0.234 27.346 -11.027 667 HG2 GLN 83 2HG GLN 83 1.612 28.534 -13.017 668 HG3 GLN 83 1HG GLN 83 -0.117 28.806 -13.224 669 HE21 GLN 83 1HE2 GLN 83 2.581 30.103 -11.975 670 HE22 GLN 83 2HE2 GLN 83 1.907 31.062 -10.708 671 H GLY 84 H GLY 84 3.874 26.749 -10.375 672 HA2 GLY 84 2HA GLY 84 2.660 26.975 -7.689 673 HA3 GLY 84 1HA GLY 84 4.120 26.040 -7.974 674 H TYR 85 H TYR 85 4.199 27.950 -6.072 675 HA TYR 85 HA TYR 85 4.967 30.518 -6.944 676 HB2 TYR 85 2HB TYR 85 4.315 29.689 -4.572 677 HB3 TYR 85 1HB TYR 85 6.018 29.269 -4.421 678 HD1 TYR 85 1HD TYR 85 7.744 31.081 -4.613 679 HD2 TYR 85 2HD TYR 85 3.583 31.926 -4.345 680 HE1 TYR 85 1HE TYR 85 8.262 33.398 -3.971 681 HE2 TYR 85 2HE TYR 85 4.089 34.245 -3.703 682 HH TYR 85 HH TYR 85 5.952 35.507 -2.683 683 H ARG 86 H ARG 86 7.082 28.008 -5.544 684 HA ARG 86 HA ARG 86 9.078 28.521 -7.592 685 HB2 ARG 86 2HB ARG 86 9.365 29.325 -4.738 686 HB3 ARG 86 1HB ARG 86 10.772 28.636 -5.535 687 HG2 ARG 86 2HG ARG 86 10.948 30.388 -7.032 688 HG3 ARG 86 1HG ARG 86 9.262 30.869 -6.823 689 HD2 ARG 86 2HD ARG 86 9.684 31.896 -4.774 690 HD3 ARG 86 1HD ARG 86 11.203 31.031 -4.548 691 HE ARG 86 HE ARG 86 12.268 32.660 -5.746 692 HH11 ARG 86 1HH1 ARG 86 8.834 32.915 -6.312 693 HH12 ARG 86 2HH1 ARG 86 8.963 34.403 -7.189 694 HH21 ARG 86 1HH2 ARG 86 12.439 34.615 -6.900 695 HH22 ARG 86 2HH2 ARG 86 11.010 35.368 -7.523 696 H GLY 87 H GLY 87 9.121 26.450 -8.297 697 HA2 GLY 87 2HA GLY 87 10.282 24.478 -6.491 698 HA3 GLY 87 1HA GLY 87 8.700 24.086 -7.148 699 H LYS 88 H LYS 88 11.802 23.376 -7.521 700 HA LYS 88 HA LYS 88 13.065 22.461 -9.176 701 HB2 LYS 88 2HB LYS 88 10.554 21.486 -9.550 702 HB3 LYS 88 1HB LYS 88 10.849 22.237 -11.113 703 HG2 LYS 88 2HG LYS 88 12.660 20.843 -11.576 704 HG3 LYS 88 1HG LYS 88 12.841 20.365 -9.887 705 HD2 LYS 88 2HD LYS 88 10.844 19.057 -9.968 706 HD3 LYS 88 1HD LYS 88 10.430 19.691 -11.563 707 HE2 LYS 88 2HE LYS 88 12.087 18.454 -12.622 708 HE3 LYS 88 1HE LYS 88 13.003 18.226 -11.136 709 HZ1 LYS 88 3HZ LYS 88 11.770 16.456 -10.541 710 HZ2 LYS 88 1HZ LYS 88 11.456 16.354 -12.202 711 HZ3 LYS 88 2HZ LYS 88 10.332 17.086 -11.173 712 H ASN 89 H ASN 89 12.711 25.331 -9.092 713 HA ASN 89 HA ASN 89 12.632 26.184 -11.866 714 HB2 ASN 89 2HB ASN 89 12.910 28.450 -10.953 715 HB3 ASN 89 1HB ASN 89 11.588 27.599 -10.158 716 HD21 ASN 89 1HD2 ASN 89 14.753 28.944 -9.810 717 HD22 ASN 89 2HD2 ASN 89 14.850 28.806 -8.090 718 H SER 90 H SER 90 14.370 26.002 -13.100 719 HA SER 90 HA SER 90 17.005 26.547 -11.909 720 HB2 SER 90 2HB SER 90 16.491 24.455 -14.032 721 HB3 SER 90 1HB SER 90 18.007 24.768 -13.186 722 HG SER 90 HG SER 90 15.605 23.876 -11.964 723 H VAL 91 H VAL 91 17.230 28.592 -12.709 724 HA VAL 91 HA VAL 91 17.831 28.811 -15.524 725 HB VAL 91 HB VAL 91 16.350 30.770 -15.886 726 HG11 VAL 91 1HG1 VAL 91 15.746 28.496 -16.658 727 HG12 VAL 91 2HG1 VAL 91 14.341 29.505 -16.310 728 HG13 VAL 91 3HG1 VAL 91 14.840 28.262 -15.162 729 HG21 VAL 91 3HG2 VAL 91 15.831 31.598 -13.775 730 HG22 VAL 91 1HG2 VAL 91 15.392 30.006 -13.151 731 HG23 VAL 91 2HG2 VAL 91 14.325 30.832 -14.288 732 H ALA 92 H ALA 92 19.442 30.228 -15.854 733 HA ALA 92 HA ALA 92 19.979 32.243 -13.777 734 HB1 ALA 92 1HB ALA 92 22.415 31.800 -14.096 735 HB2 ALA 92 2HB ALA 92 21.978 30.380 -15.046 736 HB3 ALA 92 3HB ALA 92 21.526 30.475 -13.343 737 H ALA 93 H ALA 93 18.656 32.511 -16.340 738 HA ALA 93 HA ALA 93 20.439 34.515 -17.515 739 HB1 ALA 93 1HB ALA 93 19.000 32.366 -19.062 740 HB2 ALA 93 2HB ALA 93 20.741 32.633 -18.960 741 HB3 ALA 93 3HB ALA 93 19.717 33.800 -19.797 742 H ARG 94 H ARG 94 19.159 36.097 -16.522 743 HA ARG 94 HA ARG 94 16.344 36.239 -17.310 744 HB2 ARG 94 2HB ARG 94 17.974 37.381 -15.108 745 HB3 ARG 94 1HB ARG 94 16.631 38.356 -15.687 746 HG2 ARG 94 2HG ARG 94 15.071 36.958 -14.844 747 HG3 ARG 94 1HG ARG 94 16.047 35.515 -15.134 748 HD2 ARG 94 2HD ARG 94 17.550 36.414 -13.249 749 HD3 ARG 94 1HD ARG 94 16.188 37.462 -12.854 750 HE ARG 94 HE ARG 94 15.162 34.907 -13.023 751 HH11 ARG 94 1HH1 ARG 94 17.566 36.554 -11.102 752 HH12 ARG 94 2HH1 ARG 94 17.330 35.546 -9.715 753 HH21 ARG 94 1HH2 ARG 94 14.850 33.579 -11.199 754 HH22 ARG 94 2HH2 ARG 94 15.789 33.855 -9.770 755 H SER 95 H SER 95 18.504 36.759 -19.214 756 HA SER 95 HA SER 95 17.868 39.567 -19.841 757 HB2 SER 95 2HB SER 95 20.201 39.468 -19.234 758 HB3 SER 95 1HB SER 95 20.467 38.085 -20.294 759 HG SER 95 HG SER 95 20.212 40.784 -20.909 760 HA PRO 96 HA PRO 96 16.075 38.350 -23.669 761 HB2 PRO 96 2HB PRO 96 17.816 40.426 -24.914 762 HB3 PRO 96 1HB PRO 96 16.068 40.200 -25.041 763 HG2 PRO 96 2HG PRO 96 17.075 42.131 -23.513 764 HG3 PRO 96 1HG PRO 96 15.656 41.205 -22.990 765 HD2 PRO 96 2HD PRO 96 18.489 41.015 -22.076 766 HD3 PRO 96 1HD PRO 96 16.988 40.811 -21.151 767 H GLU 97 H GLU 97 16.594 37.473 -25.789 768 HA GLU 97 HA GLU 97 19.019 35.915 -25.719 769 HB2 GLU 97 2HB GLU 97 18.130 34.876 -27.778 770 HB3 GLU 97 1HB GLU 97 16.966 34.857 -26.459 771 HG2 GLU 97 2HG GLU 97 15.490 35.772 -27.825 772 HG3 GLU 97 1HG GLU 97 16.479 37.230 -27.851 773 H LYS 98 H LYS 98 20.862 36.895 -26.271 774 HA LYS 98 HA LYS 98 21.084 38.051 -28.919 775 HB2 LYS 98 2HB LYS 98 20.548 39.812 -26.949 776 HB3 LYS 98 1HB LYS 98 22.300 39.743 -26.813 777 HG2 LYS 98 2HG LYS 98 21.805 41.537 -28.259 778 HG3 LYS 98 1HG LYS 98 22.404 40.227 -29.278 779 HD2 LYS 98 2HD LYS 98 20.570 40.555 -30.514 780 HD3 LYS 98 1HD LYS 98 19.690 39.768 -29.203 781 HE2 LYS 98 2HE LYS 98 18.538 41.777 -29.589 782 HE3 LYS 98 1HE LYS 98 19.512 42.077 -28.149 783 HZ1 LYS 98 3HZ LYS 98 19.485 43.834 -29.990 784 HZ2 LYS 98 1HZ LYS 98 20.520 42.789 -30.830 785 HZ3 LYS 98 2HZ LYS 98 20.981 43.406 -29.324 786 H ALA 99 H ALA 99 23.281 38.292 -29.628 787 HA ALA 99 HA ALA 99 24.975 36.212 -28.683 788 HB1 ALA 99 1HB ALA 99 26.543 37.804 -30.314 789 HB2 ALA 99 2HB ALA 99 24.907 38.053 -30.923 790 HB3 ALA 99 3HB ALA 99 25.570 36.423 -30.819 791 H SER 100 H SER 100 25.924 36.392 -26.748 792 HA SER 100 HA SER 100 27.180 38.955 -26.032 793 HB2 SER 100 2HB SER 100 27.283 37.578 -23.722 794 HB3 SER 100 1HB SER 100 25.884 38.545 -24.195 795 HG SER 100 HG SER 100 26.094 35.862 -23.863 796 H ASN 101 H ASN 101 27.727 35.442 -25.869 797 HA ASN 101 HA ASN 101 30.582 35.884 -25.487 798 HB2 ASN 101 2HB ASN 101 30.641 33.366 -25.310 799 HB3 ASN 101 1HB ASN 101 29.661 34.175 -24.092 800 HD21 ASN 101 1HD2 ASN 101 29.718 31.939 -26.661 801 HD22 ASN 101 2HD2 ASN 101 28.041 31.525 -26.646 802 H MET 102 H MET 102 32.156 35.341 -26.948 803 HA MET 102 HA MET 102 31.217 34.816 -29.680 804 HB2 MET 102 2HB MET 102 32.831 36.803 -28.808 805 HB3 MET 102 1HB MET 102 34.035 35.592 -29.226 806 HG2 MET 102 2HG MET 102 33.767 35.926 -31.405 807 HG3 MET 102 1HG MET 102 32.009 35.889 -31.280 808 HE1 MET 102 3HE MET 102 30.733 39.154 -30.908 809 HE2 MET 102 1HE MET 102 31.557 39.034 -29.354 810 HE3 MET 102 2HE MET 102 30.788 37.610 -30.055 811 H GLU 103 H GLU 103 32.719 33.512 -31.063 812 HA GLU 103 HA GLU 103 34.461 31.634 -29.773 813 HB2 GLU 103 2HB GLU 103 32.159 30.739 -29.286 814 HB3 GLU 103 1HB GLU 103 31.938 30.538 -31.019 815 HG2 GLU 103 2HG GLU 103 32.582 28.458 -29.887 816 HG3 GLU 103 1HG GLU 103 33.741 28.954 -31.119 817 H ASN 104 H ASN 104 35.329 33.232 -31.602 818 HA ASN 104 HA ASN 104 36.368 33.398 -33.617 819 HB2 ASN 104 2HB ASN 104 35.892 30.410 -33.629 820 HB3 ASN 104 1HB ASN 104 36.904 31.259 -34.794 821 HD21 ASN 104 1HD2 ASN 104 36.616 30.103 -31.555 822 HD22 ASN 104 2HD2 ASN 104 38.245 30.415 -31.073 823 H ASN 105 H ASN 105 36.065 33.067 -36.020 824 HA ASN 105 HA ASN 105 34.787 33.345 -37.880 825 HB2 ASN 105 2HB ASN 105 33.308 31.282 -36.326 826 HB3 ASN 105 1HB ASN 105 32.470 32.028 -37.682 827 HD21 ASN 105 1HD2 ASN 105 35.271 30.162 -36.728 828 HD22 ASN 105 2HD2 ASN 105 35.602 29.502 -38.289 829 H GLU 106 H GLU 106 34.576 35.252 -35.718 830 HA GLU 106 HA GLU 106 31.891 36.312 -36.309 831 HB2 GLU 106 2HB GLU 106 32.585 35.451 -33.849 832 HB3 GLU 106 1HB GLU 106 33.163 37.109 -33.754 833 HG2 GLU 106 2HG GLU 106 31.112 37.873 -33.446 834 HG3 GLU 106 1HG GLU 106 30.530 37.046 -34.891 Start of MODEL 17 1 H1 GLY 1 1HT GLY 1 -44.272 -48.227 31.580 2 H2 GLY 1 2HT GLY 1 -44.628 -48.358 33.228 3 H3 GLY 1 3HT GLY 1 -43.047 -48.609 32.683 4 HA2 GLY 1 1HA GLY 1 -43.572 -46.132 31.748 5 HA3 GLY 1 2HA GLY 1 -44.424 -46.150 33.284 6 HA PRO 2 HA PRO 2 -40.680 -45.492 35.503 7 HB2 PRO 2 2HB PRO 2 -40.679 -47.326 37.504 8 HB3 PRO 2 1HB PRO 2 -41.766 -45.934 37.478 9 HG2 PRO 2 2HG PRO 2 -42.304 -48.773 36.694 10 HG3 PRO 2 1HG PRO 2 -43.317 -47.660 37.634 11 HD2 PRO 2 2HD PRO 2 -43.754 -48.157 35.012 12 HD3 PRO 2 1HD PRO 2 -44.096 -46.579 35.750 13 H GLY 3 H GLY 3 -41.195 -48.688 34.238 14 HA2 GLY 3 2HA GLY 3 -38.793 -49.945 34.851 15 HA3 GLY 3 1HA GLY 3 -39.738 -50.251 33.402 16 H SER 4 H SER 4 -39.531 -47.812 32.108 17 HA SER 4 HA SER 4 -36.636 -47.448 31.743 18 HB2 SER 4 2HB SER 4 -37.571 -48.979 29.995 19 HB3 SER 4 1HB SER 4 -38.623 -47.664 29.472 20 HG SER 4 HG SER 4 -35.884 -47.997 29.143 21 H LEU 5 H LEU 5 -36.006 -45.386 31.671 22 HA LEU 5 HA LEU 5 -37.715 -43.305 30.653 23 HB2 LEU 5 2HB LEU 5 -37.926 -43.904 33.360 24 HB3 LEU 5 1HB LEU 5 -36.852 -42.519 33.314 25 HG LEU 5 HG LEU 5 -39.165 -41.818 33.616 26 HD11 LEU 5 1HD1 LEU 5 -39.283 -40.529 31.273 27 HD12 LEU 5 2HD1 LEU 5 -37.607 -41.074 31.220 28 HD13 LEU 5 3HD1 LEU 5 -38.170 -40.082 32.565 29 HD21 LEU 5 3HD2 LEU 5 -40.865 -42.221 31.984 30 HD22 LEU 5 1HD2 LEU 5 -40.164 -43.774 32.436 31 HD23 LEU 5 2HD2 LEU 5 -39.716 -43.018 30.908 32 H SER 6 H SER 6 -36.495 -41.804 29.699 33 HA SER 6 HA SER 6 -33.634 -41.714 30.391 34 HB2 SER 6 2HB SER 6 -34.803 -42.180 27.934 35 HB3 SER 6 1HB SER 6 -34.404 -40.464 27.854 36 HG SER 6 HG SER 6 -32.735 -42.100 27.220 37 H ASN 7 H ASN 7 -32.597 -39.739 30.641 38 HA ASN 7 HA ASN 7 -34.109 -37.276 30.413 39 HB2 ASN 7 2HB ASN 7 -33.609 -38.609 32.984 40 HB3 ASN 7 1HB ASN 7 -33.111 -36.920 32.943 41 HD21 ASN 7 1HD2 ASN 7 -34.700 -35.334 32.347 42 HD22 ASN 7 2HD2 ASN 7 -36.370 -35.628 32.679 43 H PHE 8 H PHE 8 -32.793 -35.381 30.590 44 HA PHE 8 HA PHE 8 -30.034 -35.416 31.128 45 HB2 PHE 8 2HB PHE 8 -30.443 -36.698 28.795 46 HB3 PHE 8 1HB PHE 8 -30.347 -35.044 28.201 47 HD1 PHE 8 2HD PHE 8 -28.524 -37.229 30.620 48 HD2 PHE 8 1HD PHE 8 -28.287 -34.338 27.508 49 HE1 PHE 8 2HE PHE 8 -26.069 -37.346 30.704 50 HE2 PHE 8 1HE PHE 8 -25.831 -34.449 27.585 51 HZ PHE 8 HZ PHE 8 -24.718 -35.955 29.186 52 H ALA 9 H ALA 9 -29.038 -33.365 30.820 53 HA ALA 9 HA ALA 9 -30.867 -31.206 30.013 54 HB1 ALA 9 1HB ALA 9 -30.925 -31.231 32.408 55 HB2 ALA 9 2HB ALA 9 -29.967 -29.842 31.894 56 HB3 ALA 9 3HB ALA 9 -29.164 -31.293 32.498 57 H ASN 10 H ASN 10 -29.997 -29.700 28.716 58 HA ASN 10 HA ASN 10 -27.130 -29.918 28.126 59 HB2 ASN 10 2HB ASN 10 -28.907 -30.163 26.301 60 HB3 ASN 10 1HB ASN 10 -29.175 -28.432 26.482 61 HD21 ASN 10 1HD2 ASN 10 -28.533 -28.692 24.137 62 HD22 ASN 10 2HD2 ASN 10 -26.853 -28.509 23.774 63 H VAL 11 H VAL 11 -25.904 -27.962 27.744 64 HA VAL 11 HA VAL 11 -26.932 -25.645 29.252 65 HB VAL 11 HB VAL 11 -24.599 -25.186 29.958 66 HG11 VAL 11 1HG1 VAL 11 -26.161 -27.543 30.799 67 HG12 VAL 11 2HG1 VAL 11 -25.622 -26.145 31.728 68 HG13 VAL 11 3HG1 VAL 11 -24.500 -27.461 31.381 69 HG21 VAL 11 3HG2 VAL 11 -23.014 -27.169 29.819 70 HG22 VAL 11 1HG2 VAL 11 -23.281 -26.262 28.331 71 HG23 VAL 11 2HG2 VAL 11 -24.092 -27.808 28.579 72 H GLY 12 H GLY 12 -25.730 -23.593 28.720 73 HA2 GLY 12 2HA GLY 12 -25.352 -23.472 25.802 74 HA3 GLY 12 1HA GLY 12 -25.841 -22.125 26.820 75 H VAL 13 H VAL 13 -24.106 -21.009 25.636 76 HA VAL 13 HA VAL 13 -21.696 -20.999 27.203 77 HB VAL 13 HB VAL 13 -21.160 -22.788 25.609 78 HG11 VAL 13 1HG1 VAL 13 -21.295 -20.774 23.390 79 HG12 VAL 13 2HG1 VAL 13 -22.678 -21.788 23.806 80 HG13 VAL 13 3HG1 VAL 13 -21.165 -22.530 23.286 81 HG21 VAL 13 3HG2 VAL 13 -19.547 -20.816 26.370 82 HG22 VAL 13 1HG2 VAL 13 -19.501 -20.534 24.631 83 HG23 VAL 13 2HG2 VAL 13 -19.017 -22.098 25.283 84 H GLY 14 H GLY 14 -23.263 -19.885 24.215 85 HA2 GLY 14 2HA GLY 14 -23.765 -17.654 23.693 86 HA3 GLY 14 1HA GLY 14 -22.692 -17.134 24.984 87 H THR 15 H THR 15 -22.256 -15.623 23.028 88 HA THR 15 HA THR 15 -20.757 -14.854 21.500 89 HB THR 15 HB THR 15 -18.997 -17.176 22.273 90 HG1 THR 15 1HG THR 15 -18.595 -16.255 24.132 91 HG21 THR 15 3HG2 THR 15 -18.362 -14.359 21.429 92 HG22 THR 15 1HG2 THR 15 -18.096 -15.828 20.489 93 HG23 THR 15 2HG2 THR 15 -17.184 -15.554 21.974 94 H SER 16 H SER 16 -22.215 -15.440 19.799 95 HA SER 16 HA SER 16 -21.236 -17.703 18.185 96 HB2 SER 16 2HB SER 16 -23.556 -17.937 17.308 97 HB3 SER 16 1HB SER 16 -23.440 -18.258 19.038 98 HG SER 16 HG SER 16 -25.158 -16.918 18.808 99 H SER 17 H SER 17 -20.996 -17.378 15.996 100 HA SER 17 HA SER 17 -20.593 -16.232 14.073 101 HB2 SER 17 2HB SER 17 -22.984 -14.765 15.152 102 HB3 SER 17 1HB SER 17 -22.187 -14.215 13.677 103 HG SER 17 HG SER 17 -23.783 -16.409 14.107 104 H GLY 18 H GLY 18 -19.949 -14.012 13.193 105 HA2 GLY 18 2HA GLY 18 -19.325 -11.726 14.290 106 HA3 GLY 18 1HA GLY 18 -18.237 -12.750 15.215 107 H LYS 19 H LYS 19 -16.249 -12.313 14.502 108 HA LYS 19 HA LYS 19 -15.727 -12.667 11.638 109 HB2 LYS 19 2HB LYS 19 -15.244 -10.244 13.264 110 HB3 LYS 19 1HB LYS 19 -13.916 -10.739 12.222 111 HG2 LYS 19 2HG LYS 19 -15.250 -10.545 10.275 112 HG3 LYS 19 1HG LYS 19 -16.727 -10.369 11.227 113 HD2 LYS 19 2HD LYS 19 -16.380 -8.176 11.584 114 HD3 LYS 19 1HD LYS 19 -14.645 -8.391 11.829 115 HE2 LYS 19 2HE LYS 19 -15.936 -8.538 9.116 116 HE3 LYS 19 1HE LYS 19 -15.348 -7.026 9.808 117 HZ1 LYS 19 3HZ LYS 19 -13.823 -8.462 8.288 118 HZ2 LYS 19 1HZ LYS 19 -13.544 -9.341 9.707 119 HZ3 LYS 19 2HZ LYS 19 -13.178 -7.691 9.649 120 H GLN 20 H GLN 20 -13.478 -13.153 11.149 121 HA GLN 20 HA GLN 20 -11.717 -13.852 13.327 122 HB2 GLN 20 2HB GLN 20 -12.881 -15.997 11.542 123 HB3 GLN 20 1HB GLN 20 -11.518 -16.232 12.628 124 HG2 GLN 20 2HG GLN 20 -13.130 -15.419 14.467 125 HG3 GLN 20 1HG GLN 20 -14.395 -15.773 13.290 126 HE21 GLN 20 1HE2 GLN 20 -14.766 -17.190 15.351 127 HE22 GLN 20 2HE2 GLN 20 -14.164 -18.804 15.225 128 H LYS 21 H LYS 21 -9.676 -14.930 12.424 129 HA LYS 21 HA LYS 21 -7.851 -14.799 11.075 130 HB2 LYS 21 2HB LYS 21 -9.671 -15.844 9.501 131 HB3 LYS 21 1HB LYS 21 -9.594 -14.284 8.695 132 HG2 LYS 21 2HG LYS 21 -7.946 -15.182 7.495 133 HG3 LYS 21 1HG LYS 21 -6.950 -14.946 8.934 134 HD2 LYS 21 2HD LYS 21 -7.461 -17.206 9.678 135 HD3 LYS 21 1HD LYS 21 -8.516 -17.443 8.283 136 HE2 LYS 21 2HE LYS 21 -6.774 -17.673 6.831 137 HE3 LYS 21 1HE LYS 21 -5.720 -16.605 7.757 138 HZ1 LYS 21 3HZ LYS 21 -6.479 -19.216 8.876 139 HZ2 LYS 21 1HZ LYS 21 -5.087 -18.293 9.155 140 HZ3 LYS 21 2HZ LYS 21 -5.265 -19.139 7.702 141 H ARG 22 H ARG 22 -7.036 -12.883 11.893 142 HA ARG 22 HA ARG 22 -7.376 -10.559 10.135 143 HB2 ARG 22 2HB ARG 22 -7.296 -10.382 13.152 144 HB3 ARG 22 1HB ARG 22 -7.472 -9.044 12.026 145 HG2 ARG 22 2HG ARG 22 -9.669 -9.263 12.111 146 HG3 ARG 22 1HG ARG 22 -9.533 -10.898 11.464 147 HD2 ARG 22 2HD ARG 22 -10.700 -11.127 13.494 148 HD3 ARG 22 1HD ARG 22 -9.051 -11.644 13.840 149 HE ARG 22 HE ARG 22 -9.186 -8.944 14.446 150 HH11 ARG 22 1HH1 ARG 22 -10.680 -11.902 15.541 151 HH12 ARG 22 2HH1 ARG 22 -10.922 -11.328 17.156 152 HH21 ARG 22 1HH2 ARG 22 -9.501 -8.189 16.570 153 HH22 ARG 22 2HH2 ARG 22 -10.253 -9.221 17.742 154 H TYR 23 H TYR 23 -5.415 -10.501 9.205 155 HA TYR 23 HA TYR 23 -3.104 -10.137 10.957 156 HB2 TYR 23 2HB TYR 23 -3.222 -12.114 8.675 157 HB3 TYR 23 1HB TYR 23 -1.734 -11.613 9.472 158 HD1 TYR 23 1HD TYR 23 -1.406 -12.163 11.899 159 HD2 TYR 23 2HD TYR 23 -4.617 -13.776 9.620 160 HE1 TYR 23 1HE TYR 23 -1.715 -13.921 13.590 161 HE2 TYR 23 2HE TYR 23 -4.936 -15.539 11.306 162 HH TYR 23 HH TYR 23 -3.042 -16.611 13.226 163 H LYS 24 H LYS 24 -3.815 -10.417 7.468 164 HA LYS 24 HA LYS 24 -2.551 -7.779 7.106 165 HB2 LYS 24 2HB LYS 24 -1.843 -8.582 4.854 166 HB3 LYS 24 1HB LYS 24 -1.083 -9.446 6.184 167 HG2 LYS 24 2HG LYS 24 -2.893 -11.202 5.874 168 HG3 LYS 24 1HG LYS 24 -3.261 -10.390 4.350 169 HD2 LYS 24 2HD LYS 24 -0.498 -10.687 4.324 170 HD3 LYS 24 1HD LYS 24 -1.093 -12.199 5.012 171 HE2 LYS 24 2HE LYS 24 -2.339 -11.054 2.543 172 HE3 LYS 24 1HE LYS 24 -0.846 -11.985 2.441 173 HZ1 LYS 24 3HZ LYS 24 -3.394 -12.946 3.628 174 HZ2 LYS 24 1HZ LYS 24 -1.962 -13.841 3.496 175 HZ3 LYS 24 2HZ LYS 24 -2.799 -13.373 2.103 176 H PHE 25 H PHE 25 -5.063 -7.502 7.598 177 HA PHE 25 HA PHE 25 -6.880 -7.922 5.486 178 HB2 PHE 25 2HB PHE 25 -7.479 -7.419 7.882 179 HB3 PHE 25 1HB PHE 25 -7.050 -5.745 7.559 180 HD1 PHE 25 1HD PHE 25 -9.236 -8.467 6.267 181 HD2 PHE 25 2HD PHE 25 -8.676 -4.285 6.828 182 HE1 PHE 25 1HE PHE 25 -11.511 -8.052 5.424 183 HE2 PHE 25 2HE PHE 25 -10.949 -3.863 5.986 184 HZ PHE 25 HZ PHE 25 -12.369 -5.748 5.284 185 H SER 26 H SER 26 -7.776 -6.416 4.002 186 HA SER 26 HA SER 26 -5.816 -4.727 2.784 187 HB2 SER 26 2HB SER 26 -7.839 -4.070 1.317 188 HB3 SER 26 1HB SER 26 -7.304 -5.750 1.259 189 HG SER 26 HG SER 26 -9.086 -6.369 2.241 190 H ALA 27 H ALA 27 -5.907 -3.802 5.217 191 HA ALA 27 HA ALA 27 -6.281 -1.118 5.129 192 HB1 ALA 27 1HB ALA 27 -8.808 -2.551 5.701 193 HB2 ALA 27 2HB ALA 27 -8.540 -0.979 4.946 194 HB3 ALA 27 3HB ALA 27 -8.444 -1.142 6.699 195 H SER 28 H SER 28 -6.316 -4.090 6.959 196 HA SER 28 HA SER 28 -6.127 -3.194 9.566 197 HB2 SER 28 2HB SER 28 -5.109 -5.566 8.097 198 HB3 SER 28 1HB SER 28 -4.376 -5.238 9.668 199 HG SER 28 HG SER 28 -6.185 -6.558 9.925 200 H GLU 29 H GLU 29 -3.616 -3.337 7.102 201 HA GLU 29 HA GLU 29 -1.449 -2.610 8.751 202 HB2 GLU 29 2HB GLU 29 -0.370 -1.885 6.592 203 HB3 GLU 29 1HB GLU 29 -0.962 -3.540 6.615 204 HG2 GLU 29 2HG GLU 29 -1.854 -2.999 4.642 205 HG3 GLU 29 1HG GLU 29 -3.117 -2.253 5.616 206 H ASP 30 H ASP 30 -3.481 -0.619 6.601 207 HA ASP 30 HA ASP 30 -2.317 1.847 7.212 208 HB2 ASP 30 2HB ASP 30 -4.734 0.903 5.875 209 HB3 ASP 30 1HB ASP 30 -4.984 2.433 6.711 210 H GLU 31 H GLU 31 -4.764 -0.033 8.868 211 HA GLU 31 HA GLU 31 -5.592 2.027 10.647 212 HB2 GLU 31 2HB GLU 31 -5.809 -0.981 10.832 213 HB3 GLU 31 1HB GLU 31 -6.550 0.127 11.977 214 HG2 GLU 31 2HG GLU 31 -7.957 1.046 10.270 215 HG3 GLU 31 1HG GLU 31 -7.124 0.116 9.025 216 H ALA 32 H ALA 32 -3.010 -0.314 10.635 217 HA ALA 32 HA ALA 32 -2.342 -0.085 13.392 218 HB1 ALA 32 1HB ALA 32 -1.388 -1.984 12.617 219 HB2 ALA 32 2HB ALA 32 -0.030 -0.906 12.297 220 HB3 ALA 32 3HB ALA 32 -1.145 -1.329 10.997 221 H ILE 33 H ILE 33 -1.335 1.568 10.455 222 HA ILE 33 HA ILE 33 0.797 3.031 11.610 223 HB ILE 33 HB ILE 33 -0.865 4.031 9.314 224 HG12 ILE 33 2HG1 ILE 33 1.263 1.884 9.305 225 HG13 ILE 33 1HG1 ILE 33 -0.406 1.748 8.764 226 HG21 ILE 33 1HG2 ILE 33 0.888 5.477 10.327 227 HG22 ILE 33 2HG2 ILE 33 1.153 5.110 8.622 228 HG23 ILE 33 3HG2 ILE 33 2.086 4.270 9.862 229 HD11 ILE 33 3HD1 ILE 33 0.191 2.317 6.717 230 HD12 ILE 33 1HD1 ILE 33 1.872 2.399 7.248 231 HD13 ILE 33 2HD1 ILE 33 0.857 3.840 7.306 232 H ILE 34 H ILE 34 -2.582 3.855 10.951 233 HA ILE 34 HA ILE 34 -2.509 6.461 11.936 234 HB ILE 34 HB ILE 34 -4.392 5.715 10.633 235 HG12 ILE 34 2HG1 ILE 34 -6.040 6.083 12.957 236 HG13 ILE 34 1HG1 ILE 34 -4.620 7.116 13.088 237 HG21 ILE 34 1HG2 ILE 34 -6.031 4.121 11.515 238 HG22 ILE 34 2HG2 ILE 34 -5.007 3.864 12.928 239 HG23 ILE 34 3HG2 ILE 34 -4.435 3.398 11.328 240 HD11 ILE 34 3HD1 ILE 34 -6.111 8.473 11.993 241 HD12 ILE 34 1HD1 ILE 34 -6.801 7.145 11.060 242 HD13 ILE 34 2HD1 ILE 34 -5.205 7.778 10.648 243 H LYS 35 H LYS 35 -3.019 3.382 13.569 244 HA LYS 35 HA LYS 35 -3.702 4.508 16.095 245 HB2 LYS 35 2HB LYS 35 -4.072 2.091 15.207 246 HB3 LYS 35 1HB LYS 35 -2.430 1.806 15.764 247 HG2 LYS 35 2HG LYS 35 -3.763 1.111 17.537 248 HG3 LYS 35 1HG LYS 35 -3.227 2.724 18.014 249 HD2 LYS 35 2HD LYS 35 -5.307 3.629 17.794 250 HD3 LYS 35 1HD LYS 35 -5.767 2.527 16.494 251 HE2 LYS 35 2HE LYS 35 -7.036 1.582 18.099 252 HE3 LYS 35 1HE LYS 35 -5.526 0.785 18.538 253 HZ1 LYS 35 3HZ LYS 35 -6.987 2.879 19.921 254 HZ2 LYS 35 1HZ LYS 35 -5.303 3.042 19.918 255 HZ3 LYS 35 2HZ LYS 35 -6.017 1.643 20.544 256 H GLY 36 H GLY 36 -0.715 3.570 14.523 257 HA2 GLY 36 2HA GLY 36 0.930 3.851 16.847 258 HA3 GLY 36 1HA GLY 36 1.486 3.732 15.184 259 H LEU 37 H LEU 37 0.001 5.959 14.186 260 HA LEU 37 HA LEU 37 1.817 8.051 14.875 261 HB2 LEU 37 2HB LEU 37 -0.318 7.607 12.908 262 HB3 LEU 37 1HB LEU 37 -0.164 9.273 13.432 263 HG LEU 37 HG LEU 37 2.170 9.310 12.734 264 HD11 LEU 37 1HD1 LEU 37 3.388 7.505 12.203 265 HD12 LEU 37 2HD1 LEU 37 2.069 6.755 11.304 266 HD13 LEU 37 3HD1 LEU 37 2.134 6.612 13.061 267 HD21 LEU 37 3HD2 LEU 37 1.691 8.673 10.227 268 HD22 LEU 37 1HD2 LEU 37 0.900 10.057 10.984 269 HD23 LEU 37 2HD2 LEU 37 0.033 8.530 10.815 270 H ALA 38 H ALA 38 -1.387 7.144 15.877 271 HA ALA 38 HA ALA 38 -1.967 9.711 17.075 272 HB1 ALA 38 1HB ALA 38 -3.584 7.369 17.844 273 HB2 ALA 38 2HB ALA 38 -3.565 7.766 16.127 274 HB3 ALA 38 3HB ALA 38 -4.085 8.970 17.304 275 H ARG 39 H ARG 39 -0.431 6.772 18.017 276 HA ARG 39 HA ARG 39 -0.582 7.540 20.845 277 HB2 ARG 39 2HB ARG 39 -1.029 5.092 19.679 278 HB3 ARG 39 1HB ARG 39 0.632 4.949 20.239 279 HG2 ARG 39 2HG ARG 39 -0.463 4.214 22.089 280 HG3 ARG 39 1HG ARG 39 -0.398 5.939 22.456 281 HD2 ARG 39 2HD ARG 39 -2.651 6.233 21.616 282 HD3 ARG 39 1HD ARG 39 -2.718 4.540 21.132 283 HE ARG 39 HE ARG 39 -3.214 3.986 23.292 284 HH11 ARG 39 1HH1 ARG 39 -1.869 7.207 23.252 285 HH12 ARG 39 2HH1 ARG 39 -2.191 7.497 24.928 286 HH21 ARG 39 1HH2 ARG 39 -3.637 4.367 25.497 287 HH22 ARG 39 2HH2 ARG 39 -3.195 5.885 26.203 288 H PHE 40 H PHE 40 1.731 6.158 18.550 289 HA PHE 40 HA PHE 40 3.962 7.039 20.165 290 HB2 PHE 40 2HB PHE 40 3.668 5.459 17.634 291 HB3 PHE 40 1HB PHE 40 5.244 6.080 18.114 292 HD1 PHE 40 1HD PHE 40 2.406 4.005 19.302 293 HD2 PHE 40 2HD PHE 40 6.552 4.906 19.641 294 HE1 PHE 40 1HE PHE 40 2.704 2.061 20.779 295 HE2 PHE 40 2HE PHE 40 6.857 2.961 21.119 296 HZ PHE 40 HZ PHE 40 4.932 1.535 21.689 297 H THR 41 H THR 41 4.736 9.033 20.046 298 HA THR 41 HA THR 41 5.454 10.274 17.609 299 HB THR 41 HB THR 41 3.817 12.312 18.237 300 HG1 THR 41 1HG THR 41 1.770 11.427 18.731 301 HG21 THR 41 3HG2 THR 41 2.462 10.216 16.666 302 HG22 THR 41 1HG2 THR 41 4.039 10.756 16.091 303 HG23 THR 41 2HG2 THR 41 2.731 11.920 16.301 304 H LYS 42 H LYS 42 7.393 10.366 18.838 305 HA LYS 42 HA LYS 42 7.494 12.698 20.604 306 HB2 LYS 42 2HB LYS 42 8.868 10.094 21.275 307 HB3 LYS 42 1HB LYS 42 8.848 11.560 22.245 308 HG2 LYS 42 2HG LYS 42 7.210 10.496 23.348 309 HG3 LYS 42 1HG LYS 42 6.203 11.095 22.028 310 HD2 LYS 42 2HD LYS 42 6.572 8.975 20.823 311 HD3 LYS 42 1HD LYS 42 7.510 8.380 22.194 312 HE2 LYS 42 2HE LYS 42 4.823 9.417 22.823 313 HE3 LYS 42 1HE LYS 42 4.868 7.937 21.866 314 HZ1 LYS 42 3HZ LYS 42 5.683 6.749 23.580 315 HZ2 LYS 42 1HZ LYS 42 4.968 7.964 24.516 316 HZ3 LYS 42 2HZ LYS 42 6.625 8.020 24.181 317 H GLY 43 H GLY 43 8.273 12.270 17.839 318 HA2 GLY 43 2HA GLY 43 10.998 13.244 18.061 319 HA3 GLY 43 1HA GLY 43 10.822 11.726 17.193 320 H GLN 44 H GLN 44 11.877 13.332 15.590 321 HA GLN 44 HA GLN 44 10.058 15.161 14.302 322 HB2 GLN 44 2HB GLN 44 12.776 15.024 14.464 323 HB3 GLN 44 1HB GLN 44 12.501 14.363 12.858 324 HG2 GLN 44 2HG GLN 44 11.966 16.351 12.004 325 HG3 GLN 44 1HG GLN 44 10.972 16.788 13.395 326 HE21 GLN 44 1HE2 GLN 44 12.590 16.902 15.456 327 HE22 GLN 44 2HE2 GLN 44 13.873 18.034 15.218 328 H GLN 45 H GLN 45 11.559 12.046 13.492 329 HA GLN 45 HA GLN 45 9.552 11.731 11.357 330 HB2 GLN 45 2HB GLN 45 12.436 10.990 11.508 331 HB3 GLN 45 1HB GLN 45 11.360 9.934 10.604 332 HG2 GLN 45 2HG GLN 45 11.140 11.387 8.917 333 HG3 GLN 45 1HG GLN 45 11.065 12.783 9.992 334 HE21 GLN 45 1HE2 GLN 45 12.457 14.002 8.748 335 HE22 GLN 45 2HE2 GLN 45 14.149 13.670 8.643 336 H ARG 46 H ARG 46 8.224 11.002 13.247 337 HA ARG 46 HA ARG 46 8.864 8.493 14.473 338 HB2 ARG 46 2HB ARG 46 7.437 10.341 15.478 339 HB3 ARG 46 1HB ARG 46 6.155 9.811 14.398 340 HG2 ARG 46 2HG ARG 46 5.598 8.620 16.244 341 HG3 ARG 46 1HG ARG 46 6.696 7.465 15.489 342 HD2 ARG 46 2HD ARG 46 8.158 9.327 17.128 343 HD3 ARG 46 1HD ARG 46 6.871 8.564 18.061 344 HE ARG 46 HE ARG 46 8.060 6.490 16.766 345 HH11 ARG 46 1HH1 ARG 46 9.217 9.038 18.853 346 HH12 ARG 46 2HH1 ARG 46 10.514 8.091 19.498 347 HH21 ARG 46 1HH2 ARG 46 9.766 5.242 17.617 348 HH22 ARG 46 2HH2 ARG 46 10.826 5.935 18.797 349 H PHE 47 H PHE 47 7.230 9.483 11.592 350 HA PHE 47 HA PHE 47 5.487 7.388 11.127 351 HB2 PHE 47 2HB PHE 47 7.187 8.895 9.132 352 HB3 PHE 47 1HB PHE 47 5.816 7.872 8.712 353 HD1 PHE 47 1HD PHE 47 6.851 11.018 10.286 354 HD2 PHE 47 2HD PHE 47 3.565 8.610 9.055 355 HE1 PHE 47 1HE PHE 47 5.340 12.937 10.581 356 HE2 PHE 47 2HE PHE 47 2.048 10.526 9.345 357 HZ PHE 47 HZ PHE 47 2.935 12.693 10.108 358 H GLN 48 H GLN 48 8.949 7.566 10.319 359 HA GLN 48 HA GLN 48 9.034 4.977 9.151 360 HB2 GLN 48 2HB GLN 48 11.491 5.237 9.279 361 HB3 GLN 48 1HB GLN 48 10.699 6.630 8.558 362 HG2 GLN 48 2HG GLN 48 10.884 7.829 10.683 363 HG3 GLN 48 1HG GLN 48 11.699 6.435 11.389 364 HE21 GLN 48 1HE2 GLN 48 12.881 8.901 11.392 365 HE22 GLN 48 2HE2 GLN 48 14.239 8.900 10.325 366 H GLN 49 H GLN 49 9.974 6.218 12.353 367 HA GLN 49 HA GLN 49 10.983 3.839 13.405 368 HB2 GLN 49 2HB GLN 49 10.500 6.421 14.348 369 HB3 GLN 49 1HB GLN 49 9.537 5.386 15.393 370 HG2 GLN 49 2HG GLN 49 11.336 4.504 16.397 371 HG3 GLN 49 1HG GLN 49 12.273 4.447 14.905 372 HE21 GLN 49 1HE2 GLN 49 12.593 5.536 17.795 373 HE22 GLN 49 2HE2 GLN 49 13.320 7.083 17.539 374 H ILE 50 H ILE 50 7.689 5.164 13.604 375 HA ILE 50 HA ILE 50 6.562 3.031 15.028 376 HB ILE 50 HB ILE 50 5.513 5.296 14.630 377 HG12 ILE 50 2HG1 ILE 50 4.325 3.334 15.622 378 HG13 ILE 50 1HG1 ILE 50 3.263 4.469 14.796 379 HG21 ILE 50 1HG2 ILE 50 4.849 4.058 11.969 380 HG22 ILE 50 2HG2 ILE 50 5.756 5.539 12.276 381 HG23 ILE 50 3HG2 ILE 50 4.031 5.471 12.634 382 HD11 ILE 50 3HD1 ILE 50 3.813 1.663 14.238 383 HD12 ILE 50 1HD1 ILE 50 3.847 2.696 12.810 384 HD13 ILE 50 2HD1 ILE 50 2.410 2.649 13.833 385 H TYR 51 H TYR 51 7.079 3.554 11.590 386 HA TYR 51 HA TYR 51 5.550 1.497 10.533 387 HB2 TYR 51 2HB TYR 51 6.679 3.178 9.143 388 HB3 TYR 51 1HB TYR 51 8.239 2.481 9.564 389 HD1 TYR 51 2HD TYR 51 8.872 0.249 8.702 390 HD2 TYR 51 1HD TYR 51 5.284 2.178 7.477 391 HE1 TYR 51 2HE TYR 51 8.704 -1.288 6.789 392 HE2 TYR 51 1HE TYR 51 5.108 0.646 5.562 393 HH TYR 51 HH TYR 51 6.935 -0.786 4.174 394 H TYR 52 H TYR 52 8.872 1.425 11.732 395 HA TYR 52 HA TYR 52 9.310 -1.324 11.184 396 HB2 TYR 52 2HB TYR 52 10.683 0.749 12.854 397 HB3 TYR 52 1HB TYR 52 11.133 -0.943 13.041 398 HD1 TYR 52 1HD TYR 52 10.566 1.530 10.291 399 HD2 TYR 52 2HD TYR 52 12.896 -1.705 11.772 400 HE1 TYR 52 1HE TYR 52 12.058 1.721 8.344 401 HE2 TYR 52 2HE TYR 52 14.395 -1.524 9.832 402 HH TYR 52 HH TYR 52 14.374 1.136 7.736 403 H ALA 53 H ALA 53 8.001 0.436 13.918 404 HA ALA 53 HA ALA 53 8.076 -1.685 15.784 405 HB1 ALA 53 1HB ALA 53 7.015 -0.271 17.218 406 HB2 ALA 53 2HB ALA 53 5.935 0.358 15.974 407 HB3 ALA 53 3HB ALA 53 7.609 0.906 16.047 408 H TYR 54 H TYR 54 5.418 -0.451 13.774 409 HA TYR 54 HA TYR 54 3.695 -2.622 14.529 410 HB2 TYR 54 2HB TYR 54 2.011 -1.455 13.540 411 HB3 TYR 54 1HB TYR 54 3.154 -0.133 13.716 412 HD1 TYR 54 2HD TYR 54 1.773 -2.588 11.314 413 HD2 TYR 54 1HD TYR 54 4.025 0.986 11.814 414 HE1 TYR 54 2HE TYR 54 1.656 -2.178 8.892 415 HE2 TYR 54 1HE TYR 54 3.910 1.405 9.395 416 HH TYR 54 HH TYR 54 3.565 0.171 7.327 417 H ARG 55 H ARG 55 6.290 -2.530 12.510 418 HA ARG 55 HA ARG 55 5.491 -3.783 10.163 419 HB2 ARG 55 2HB ARG 55 7.856 -2.935 11.130 420 HB3 ARG 55 1HB ARG 55 8.056 -4.667 11.353 421 HG2 ARG 55 2HG ARG 55 8.102 -5.094 9.116 422 HG3 ARG 55 1HG ARG 55 7.083 -3.708 8.718 423 HD2 ARG 55 2HD ARG 55 8.845 -2.357 8.445 424 HD3 ARG 55 1HD ARG 55 9.636 -2.951 9.904 425 HE ARG 55 HE ARG 55 10.093 -3.823 7.201 426 HH11 ARG 55 1HH1 ARG 55 10.342 -4.687 10.573 427 HH12 ARG 55 2HH1 ARG 55 11.597 -5.851 10.311 428 HH21 ARG 55 1HH2 ARG 55 11.743 -5.352 6.855 429 HH22 ARG 55 2HH2 ARG 55 12.394 -6.228 8.200 430 H SER 56 H SER 56 3.844 -5.277 10.724 431 HA SER 56 HA SER 56 4.606 -7.940 10.830 432 HB2 SER 56 2HB SER 56 4.931 -6.871 13.343 433 HB3 SER 56 1HB SER 56 3.309 -7.554 13.440 434 HG SER 56 HG SER 56 4.520 -9.262 13.904 435 H VAL 57 H VAL 57 2.770 -6.309 9.450 436 HA VAL 57 HA VAL 57 0.277 -7.738 10.057 437 HB VAL 57 HB VAL 57 -0.984 -5.660 9.359 438 HG11 VAL 57 1HG1 VAL 57 -1.080 -6.243 11.633 439 HG12 VAL 57 2HG1 VAL 57 -0.628 -4.538 11.613 440 HG13 VAL 57 3HG1 VAL 57 0.597 -5.773 11.910 441 HG21 VAL 57 3HG2 VAL 57 1.775 -4.511 9.633 442 HG22 VAL 57 1HG2 VAL 57 0.333 -3.521 9.869 443 HG23 VAL 57 2HG2 VAL 57 0.616 -4.312 8.318 444 H TRP 58 H TRP 58 2.015 -5.732 7.695 445 HA TRP 58 HA TRP 58 0.682 -7.245 5.547 446 HB2 TRP 58 2HB TRP 58 1.038 -4.442 5.925 447 HB3 TRP 58 1HB TRP 58 1.982 -4.921 4.519 448 HD1 TRP 58 HD TRP 58 -1.274 -6.752 5.266 449 HE1 TRP 58 1HE TRP 58 -2.994 -6.166 3.444 450 HE3 TRP 58 3HE TRP 58 1.311 -3.050 2.872 451 HZ2 TRP 58 2HZ TRP 58 -3.225 -4.369 1.278 452 HZ3 TRP 58 3HZ TRP 58 0.271 -1.948 0.934 453 HH2 TRP 58 HH TRP 58 -1.950 -2.595 0.155 454 H HIS 59 H HIS 59 2.144 -7.100 3.448 455 HA HIS 59 HA HIS 59 4.867 -7.916 4.234 456 HB2 HIS 59 2HB HIS 59 3.025 -9.099 2.156 457 HB3 HIS 59 1HB HIS 59 4.752 -9.431 2.192 458 HD1 HIS 59 1HD HIS 59 1.635 -9.942 4.265 459 HD2 HIS 59 2HD HIS 59 5.532 -11.356 3.986 460 HE1 HIS 59 1HE HIS 59 1.752 -11.905 5.833 461 HE2 HIS 59 2HE HIS 59 4.098 -12.791 5.590 462 HA PRO 60 HA PRO 60 4.990 -4.425 1.094 463 HB2 PRO 60 2HB PRO 60 6.476 -2.706 2.561 464 HB3 PRO 60 1HB PRO 60 4.713 -2.776 2.676 465 HG2 PRO 60 2HG PRO 60 6.778 -3.986 4.476 466 HG3 PRO 60 1HG PRO 60 5.283 -3.134 4.903 467 HD2 PRO 60 2HD PRO 60 5.487 -5.840 4.910 468 HD3 PRO 60 1HD PRO 60 3.972 -4.990 4.542 469 H ALA 61 H ALA 61 6.760 -3.869 -0.195 470 HA ALA 61 HA ALA 61 9.022 -5.660 0.023 471 HB1 ALA 61 1HB ALA 61 7.896 -3.892 -2.067 472 HB2 ALA 61 2HB ALA 61 8.483 -5.551 -2.178 473 HB3 ALA 61 3HB ALA 61 9.629 -4.211 -2.136 474 H ARG 62 H ARG 62 8.423 -2.178 0.163 475 HA ARG 62 HA ARG 62 11.139 -1.836 1.254 476 HB2 ARG 62 2HB ARG 62 9.571 0.048 -0.515 477 HB3 ARG 62 1HB ARG 62 11.061 0.484 0.309 478 HG2 ARG 62 2HG ARG 62 11.891 -0.077 -1.731 479 HG3 ARG 62 1HG ARG 62 11.975 -1.650 -0.934 480 HD2 ARG 62 2HD ARG 62 11.014 -2.038 -3.060 481 HD3 ARG 62 1HD ARG 62 9.692 -2.125 -1.896 482 HE ARG 62 HE ARG 62 9.623 0.452 -2.698 483 HH11 ARG 62 1HH1 ARG 62 9.675 -2.576 -4.436 484 HH12 ARG 62 2HH1 ARG 62 8.773 -1.962 -5.781 485 HH21 ARG 62 1HH2 ARG 62 8.436 1.259 -4.468 486 HH22 ARG 62 2HH2 ARG 62 8.069 0.215 -5.799 487 H THR 63 H THR 63 11.350 -0.660 3.104 488 HA THR 63 HA THR 63 8.889 -0.053 4.526 489 HB THR 63 HB THR 63 10.452 -1.260 5.839 490 HG1 THR 63 1HG THR 63 10.485 0.029 7.528 491 HG21 THR 63 3HG2 THR 63 12.600 -1.223 5.312 492 HG22 THR 63 1HG2 THR 63 12.706 0.297 6.198 493 HG23 THR 63 2HG2 THR 63 12.440 0.310 4.456 494 H VAL 64 H VAL 64 8.551 1.945 5.629 495 HA VAL 64 HA VAL 64 8.464 4.203 5.823 496 HB VAL 64 HB VAL 64 11.175 4.133 4.495 497 HG11 VAL 64 1HG1 VAL 64 9.684 6.440 5.739 498 HG12 VAL 64 2HG1 VAL 64 10.188 6.282 4.056 499 HG13 VAL 64 3HG1 VAL 64 11.399 6.463 5.326 500 HG21 VAL 64 3HG2 VAL 64 10.262 4.345 7.354 501 HG22 VAL 64 1HG2 VAL 64 11.901 4.739 6.834 502 HG23 VAL 64 2HG2 VAL 64 11.279 3.101 6.627 503 H SER 65 H SER 65 9.806 3.306 2.648 504 HA SER 65 HA SER 65 8.581 5.379 1.204 505 HB2 SER 65 2HB SER 65 10.366 3.440 0.554 506 HB3 SER 65 1HB SER 65 8.906 2.778 -0.181 507 HG SER 65 HG SER 65 8.681 4.968 -1.127 508 H GLN 66 H GLN 66 7.571 2.097 2.014 509 HA GLN 66 HA GLN 66 5.114 2.156 0.604 510 HB2 GLN 66 2HB GLN 66 6.368 0.444 2.670 511 HB3 GLN 66 1HB GLN 66 4.611 0.421 2.628 512 HG2 GLN 66 2HG GLN 66 6.469 -0.227 0.352 513 HG3 GLN 66 1HG GLN 66 5.500 -1.368 1.282 514 HE21 GLN 66 1HE2 GLN 66 5.646 0.445 -1.491 515 HE22 GLN 66 2HE2 GLN 66 3.977 0.403 -1.936 516 H LEU 67 H LEU 67 6.120 3.049 3.843 517 HA LEU 67 HA LEU 67 3.653 3.548 5.028 518 HB2 LEU 67 2HB LEU 67 5.967 3.583 6.090 519 HB3 LEU 67 1HB LEU 67 6.133 5.207 5.451 520 HG LEU 67 HG LEU 67 5.484 5.158 7.835 521 HD11 LEU 67 1HD1 LEU 67 3.984 6.929 7.695 522 HD12 LEU 67 2HD1 LEU 67 3.203 6.280 6.252 523 HD13 LEU 67 3HD1 LEU 67 4.824 6.968 6.145 524 HD21 LEU 67 3HD2 LEU 67 3.893 3.811 8.587 525 HD22 LEU 67 1HD2 LEU 67 3.676 3.184 6.953 526 HD23 LEU 67 2HD2 LEU 67 2.710 4.551 7.507 527 H TYR 68 H TYR 68 5.746 5.716 3.187 528 HA TYR 68 HA TYR 68 4.037 7.953 3.290 529 HB2 TYR 68 2HB TYR 68 6.302 7.143 1.486 530 HB3 TYR 68 1HB TYR 68 5.362 8.593 1.147 531 HD1 TYR 68 2HD TYR 68 5.959 7.562 4.611 532 HD2 TYR 68 1HD TYR 68 7.328 10.011 1.409 533 HE1 TYR 68 2HE TYR 68 7.355 8.832 6.185 534 HE2 TYR 68 1HE TYR 68 8.727 11.288 2.978 535 HH TYR 68 HH TYR 68 9.436 10.243 6.079 536 H ASP 69 H ASP 69 4.118 5.098 1.296 537 HA ASP 69 HA ASP 69 2.490 6.068 -0.801 538 HB2 ASP 69 2HB ASP 69 2.809 3.211 0.134 539 HB3 ASP 69 1HB ASP 69 2.190 3.730 -1.431 540 H HIS 70 H HIS 70 1.705 4.221 2.140 541 HA HIS 70 HA HIS 70 -1.116 4.347 1.554 542 HB2 HIS 70 2HB HIS 70 -0.602 3.806 4.345 543 HB3 HIS 70 1HB HIS 70 -1.350 2.778 3.134 544 HD1 HIS 70 1HD HIS 70 1.666 3.178 5.139 545 HD2 HIS 70 2HD HIS 70 0.562 1.119 1.706 546 HE1 HIS 70 1HE HIS 70 3.428 1.424 4.821 547 HE2 HIS 70 2HE HIS 70 2.661 0.095 2.817 548 H TRP 71 H TRP 71 1.208 6.166 3.363 549 HA TRP 71 HA TRP 71 -0.665 7.717 4.846 550 HB2 TRP 71 2HB TRP 71 1.727 7.349 5.495 551 HB3 TRP 71 1HB TRP 71 2.202 8.389 4.157 552 HD1 TRP 71 HD TRP 71 -0.633 9.036 6.720 553 HE1 TRP 71 1HE TRP 71 -0.145 11.275 7.892 554 HE3 TRP 71 3HE TRP 71 3.896 10.097 4.596 555 HZ2 TRP 71 2HZ TRP 71 1.888 13.233 7.915 556 HZ3 TRP 71 3HZ TRP 71 5.046 12.173 5.247 557 HH2 TRP 71 HH TRP 71 4.062 13.706 6.872 558 H ARG 72 H ARG 72 0.901 8.019 1.718 559 HA ARG 72 HA ARG 72 0.058 10.731 1.305 560 HB2 ARG 72 2HB ARG 72 2.046 9.680 0.181 561 HB3 ARG 72 1HB ARG 72 0.924 8.728 -0.783 562 HG2 ARG 72 2HG ARG 72 1.534 10.536 -2.140 563 HG3 ARG 72 1HG ARG 72 -0.072 10.941 -1.531 564 HD2 ARG 72 2HD ARG 72 0.972 12.922 -1.120 565 HD3 ARG 72 1HD ARG 72 1.359 12.090 0.384 566 HE ARG 72 HE ARG 72 3.565 12.029 -0.246 567 HH11 ARG 72 1HH1 ARG 72 1.612 12.927 -2.998 568 HH12 ARG 72 2HH1 ARG 72 2.972 13.346 -3.982 569 HH21 ARG 72 1HH2 ARG 72 5.353 12.581 -1.541 570 HH22 ARG 72 2HH2 ARG 72 5.097 13.150 -3.158 571 H GLY 73 H GLY 73 -1.051 7.541 0.283 572 HA2 GLY 73 2HA GLY 73 -3.185 8.450 -1.343 573 HA3 GLY 73 1HA GLY 73 -3.033 6.841 -0.648 574 H THR 74 H THR 74 -2.856 7.946 2.095 575 HA THR 74 HA THR 74 -5.677 8.004 2.630 576 HB THR 74 HB THR 74 -4.856 8.341 5.028 577 HG1 THR 74 1HG THR 74 -2.749 8.327 5.404 578 HG21 THR 74 3HG2 THR 74 -4.549 5.994 3.344 579 HG22 THR 74 1HG2 THR 74 -5.223 6.152 4.964 580 HG23 THR 74 2HG2 THR 74 -3.481 5.994 4.746 581 H LEU 75 H LEU 75 -3.015 10.318 2.696 582 HA LEU 75 HA LEU 75 -4.910 12.501 2.539 583 HB2 LEU 75 2HB LEU 75 -3.105 12.087 4.905 584 HB3 LEU 75 1HB LEU 75 -3.638 13.692 4.439 585 HG LEU 75 HG LEU 75 -6.023 12.444 4.532 586 HD11 LEU 75 1HD1 LEU 75 -4.827 11.263 6.958 587 HD12 LEU 75 2HD1 LEU 75 -4.494 10.437 5.436 588 HD13 LEU 75 3HD1 LEU 75 -6.160 10.695 5.952 589 HD21 LEU 75 3HD2 LEU 75 -5.721 14.470 5.666 590 HD22 LEU 75 1HD2 LEU 75 -4.445 13.809 6.690 591 HD23 LEU 75 2HD2 LEU 75 -6.120 13.310 6.934 592 H ARG 76 H ARG 76 -3.827 12.536 0.445 593 HA ARG 76 HA ARG 76 -1.038 13.200 0.306 594 HB2 ARG 76 2HB ARG 76 -2.201 11.961 -1.495 595 HB3 ARG 76 1HB ARG 76 -3.166 13.391 -1.834 596 HG2 ARG 76 2HG ARG 76 -0.680 14.424 -2.018 597 HG3 ARG 76 1HG ARG 76 -0.388 12.767 -2.551 598 HD2 ARG 76 2HD ARG 76 -2.421 14.683 -3.686 599 HD3 ARG 76 1HD ARG 76 -0.912 14.185 -4.450 600 HE ARG 76 HE ARG 76 -2.203 11.843 -4.031 601 HH11 ARG 76 1HH1 ARG 76 -3.117 14.839 -5.571 602 HH12 ARG 76 2HH1 ARG 76 -4.198 14.078 -6.690 603 HH21 ARG 76 1HH2 ARG 76 -3.624 10.842 -5.501 604 HH22 ARG 76 2HH2 ARG 76 -4.485 11.809 -6.651 605 H TYR 77 H TYR 77 -3.804 15.024 -1.000 606 HA TYR 77 HA TYR 77 -4.062 17.270 -1.352 607 HB2 TYR 77 2HB TYR 77 -4.120 18.578 0.703 608 HB3 TYR 77 1HB TYR 77 -4.818 16.986 0.974 609 HD1 TYR 77 2HD TYR 77 -3.670 15.346 2.369 610 HD2 TYR 77 1HD TYR 77 -2.042 19.228 1.761 611 HE1 TYR 77 2HE TYR 77 -2.145 14.997 4.267 612 HE2 TYR 77 1HE TYR 77 -0.513 18.891 3.658 613 HH TYR 77 HH TYR 77 -0.891 16.656 5.949 614 H LYS 78 H LYS 78 -1.418 16.265 -2.028 615 HA LYS 78 HA LYS 78 0.367 18.455 -1.297 616 HB2 LYS 78 2HB LYS 78 0.781 15.848 -2.751 617 HB3 LYS 78 1HB LYS 78 2.025 17.089 -2.682 618 HG2 LYS 78 2HG LYS 78 1.099 16.661 -0.042 619 HG3 LYS 78 1HG LYS 78 1.393 15.083 -0.771 620 HD2 LYS 78 2HD LYS 78 3.649 15.601 -1.223 621 HD3 LYS 78 1HD LYS 78 3.393 17.323 -0.936 622 HE2 LYS 78 2HE LYS 78 3.094 16.949 1.412 623 HE3 LYS 78 1HE LYS 78 3.112 15.200 1.184 624 HZ1 LYS 78 3HZ LYS 78 5.259 15.441 1.742 625 HZ2 LYS 78 1HZ LYS 78 5.322 17.074 1.304 626 HZ3 LYS 78 2HZ LYS 78 5.459 15.875 0.120 627 H VAL 79 H VAL 79 -0.792 20.093 -2.458 628 HA VAL 79 HA VAL 79 -0.387 19.961 -5.376 629 HB VAL 79 HB VAL 79 -2.222 21.663 -5.533 630 HG11 VAL 79 1HG1 VAL 79 -3.893 20.063 -5.636 631 HG12 VAL 79 2HG1 VAL 79 -3.295 19.201 -4.219 632 HG13 VAL 79 3HG1 VAL 79 -2.428 19.088 -5.750 633 HG21 VAL 79 3HG2 VAL 79 -2.610 20.935 -2.631 634 HG22 VAL 79 1HG2 VAL 79 -3.768 21.836 -3.612 635 HG23 VAL 79 2HG2 VAL 79 -2.177 22.520 -3.274 636 H ILE 80 H ILE 80 -0.255 22.007 -2.503 637 HA ILE 80 HA ILE 80 0.738 24.317 -3.824 638 HB ILE 80 HB ILE 80 1.133 23.609 -0.919 639 HG12 ILE 80 2HG1 ILE 80 -1.007 25.289 -0.954 640 HG13 ILE 80 1HG1 ILE 80 -1.290 24.365 -2.426 641 HG21 ILE 80 1HG2 ILE 80 0.933 26.167 -0.769 642 HG22 ILE 80 2HG2 ILE 80 1.245 26.149 -2.504 643 HG23 ILE 80 3HG2 ILE 80 2.436 25.482 -1.388 644 HD11 ILE 80 3HD1 ILE 80 -0.576 22.697 -0.156 645 HD12 ILE 80 1HD1 ILE 80 -1.921 22.561 -1.289 646 HD13 ILE 80 2HD1 ILE 80 -2.045 23.639 0.101 647 H GLN 81 H GLN 81 2.337 21.826 -1.842 648 HA GLN 81 HA GLN 81 4.492 21.102 -1.752 649 HB2 GLN 81 2HB GLN 81 4.022 20.943 -4.273 650 HB3 GLN 81 1HB GLN 81 4.958 22.423 -4.416 651 HG2 GLN 81 2HG GLN 81 6.470 20.636 -2.843 652 HG3 GLN 81 1HG GLN 81 5.867 19.732 -4.231 653 HE21 GLN 81 1HE2 GLN 81 7.328 22.871 -3.461 654 HE22 GLN 81 2HE2 GLN 81 8.364 22.921 -4.842 655 H GLN 82 H GLN 82 6.602 21.798 -1.222 656 HA GLN 82 HA GLN 82 7.202 24.639 -1.398 657 HB2 GLN 82 2HB GLN 82 7.719 24.730 1.060 658 HB3 GLN 82 1HB GLN 82 6.008 24.625 0.667 659 HG2 GLN 82 2HG GLN 82 6.467 22.041 0.961 660 HG3 GLN 82 1HG GLN 82 7.786 22.639 1.965 661 HE21 GLN 82 1HE2 GLN 82 7.215 24.134 3.691 662 HE22 GLN 82 2HE2 GLN 82 5.688 23.956 4.480 663 H GLN 83 H GLN 83 8.222 21.504 -0.069 664 HA GLN 83 HA GLN 83 10.988 22.186 -0.820 665 HB2 GLN 83 2HB GLN 83 11.729 20.633 0.928 666 HB3 GLN 83 1HB GLN 83 10.728 21.915 1.595 667 HG2 GLN 83 2HG GLN 83 9.677 20.249 2.642 668 HG3 GLN 83 1HG GLN 83 8.867 20.011 1.094 669 HE21 GLN 83 1HE2 GLN 83 11.617 18.978 3.035 670 HE22 GLN 83 2HE2 GLN 83 11.730 17.391 2.363 671 H GLY 84 H GLY 84 12.255 20.608 -1.837 672 HA2 GLY 84 2HA GLY 84 10.736 18.302 -2.892 673 HA3 GLY 84 1HA GLY 84 11.832 19.248 -3.890 674 H TYR 85 H TYR 85 13.896 18.617 -4.035 675 HA TYR 85 HA TYR 85 14.723 16.326 -2.423 676 HB2 TYR 85 2HB TYR 85 15.644 17.509 -5.020 677 HB3 TYR 85 1HB TYR 85 16.716 16.447 -4.114 678 HD1 TYR 85 1HD TYR 85 15.493 14.198 -3.286 679 HD2 TYR 85 2HD TYR 85 14.343 16.534 -6.650 680 HE1 TYR 85 1HE TYR 85 14.378 12.235 -4.259 681 HE2 TYR 85 2HE TYR 85 13.224 14.579 -7.633 682 HH TYR 85 HH TYR 85 13.401 12.076 -7.460 683 H ARG 86 H ARG 86 16.955 16.246 -1.607 684 HA ARG 86 HA ARG 86 18.021 18.896 -0.906 685 HB2 ARG 86 2HB ARG 86 16.674 17.377 0.894 686 HB3 ARG 86 1HB ARG 86 18.311 16.783 1.137 687 HG2 ARG 86 2HG ARG 86 18.743 18.537 2.411 688 HG3 ARG 86 1HG ARG 86 18.459 19.601 1.032 689 HD2 ARG 86 2HD ARG 86 16.499 18.691 3.124 690 HD3 ARG 86 1HD ARG 86 17.005 20.337 2.745 691 HE ARG 86 HE ARG 86 14.964 18.808 1.432 692 HH11 ARG 86 1HH1 ARG 86 17.274 21.395 1.037 693 HH12 ARG 86 2HH1 ARG 86 16.390 22.158 -0.243 694 HH21 ARG 86 1HH2 ARG 86 13.800 19.811 -0.250 695 HH22 ARG 86 2HH2 ARG 86 14.417 21.259 -0.973 696 H GLY 87 H GLY 87 18.837 16.984 -2.946 697 HA2 GLY 87 2HA GLY 87 21.627 16.724 -2.112 698 HA3 GLY 87 1HA GLY 87 20.809 15.259 -2.634 699 H LYS 88 H LYS 88 22.548 15.237 -4.253 700 HA LYS 88 HA LYS 88 21.619 16.062 -6.772 701 HB2 LYS 88 2HB LYS 88 22.709 18.196 -5.497 702 HB3 LYS 88 1HB LYS 88 24.130 17.545 -6.300 703 HG2 LYS 88 2HG LYS 88 21.748 17.756 -8.000 704 HG3 LYS 88 1HG LYS 88 22.388 19.292 -7.413 705 HD2 LYS 88 2HD LYS 88 24.651 17.922 -8.190 706 HD3 LYS 88 1HD LYS 88 23.461 17.454 -9.406 707 HE2 LYS 88 2HE LYS 88 23.012 20.127 -9.223 708 HE3 LYS 88 1HE LYS 88 24.745 20.051 -8.910 709 HZ1 LYS 88 3HZ LYS 88 23.288 19.099 -11.306 710 HZ2 LYS 88 1HZ LYS 88 24.886 18.652 -10.978 711 HZ3 LYS 88 2HZ LYS 88 24.496 20.278 -11.223 712 H ASN 89 H ASN 89 24.478 15.298 -4.836 713 HA ASN 89 HA ASN 89 25.112 13.105 -6.606 714 HB2 ASN 89 2HB ASN 89 26.224 15.251 -7.522 715 HB3 ASN 89 1HB ASN 89 27.299 15.116 -6.133 716 HD21 ASN 89 1HD2 ASN 89 26.652 14.096 -9.281 717 HD22 ASN 89 2HD2 ASN 89 27.859 12.865 -9.396 718 H SER 90 H SER 90 25.510 11.469 -5.283 719 HA SER 90 HA SER 90 27.316 11.827 -3.032 720 HB2 SER 90 2HB SER 90 24.860 10.307 -2.358 721 HB3 SER 90 1HB SER 90 25.852 11.354 -1.345 722 HG SER 90 HG SER 90 23.836 12.071 -3.188 723 H VAL 91 H VAL 91 24.997 9.340 -4.106 724 HA VAL 91 HA VAL 91 27.212 7.589 -4.835 725 HB VAL 91 HB VAL 91 26.128 5.687 -3.566 726 HG11 VAL 91 1HG1 VAL 91 28.174 6.440 -2.724 727 HG12 VAL 91 2HG1 VAL 91 27.092 6.494 -1.334 728 HG13 VAL 91 3HG1 VAL 91 27.494 7.979 -2.197 729 HG21 VAL 91 3HG2 VAL 91 24.072 7.350 -3.153 730 HG22 VAL 91 1HG2 VAL 91 24.973 7.634 -1.663 731 HG23 VAL 91 2HG2 VAL 91 24.448 6.003 -2.080 732 H ALA 92 H ALA 92 26.556 5.750 -6.102 733 HA ALA 92 HA ALA 92 23.904 6.093 -7.344 734 HB1 ALA 92 1HB ALA 92 25.981 6.707 -8.719 735 HB2 ALA 92 2HB ALA 92 24.780 5.648 -9.460 736 HB3 ALA 92 3HB ALA 92 26.271 4.970 -8.804 737 H ALA 93 H ALA 93 23.111 4.080 -8.445 738 HA ALA 93 HA ALA 93 23.790 1.721 -6.815 739 HB1 ALA 93 1HB ALA 93 21.348 1.095 -7.718 740 HB2 ALA 93 2HB ALA 93 21.208 2.853 -7.697 741 HB3 ALA 93 3HB ALA 93 21.623 1.983 -6.220 742 H ARG 94 H ARG 94 25.083 2.537 -9.303 743 HA ARG 94 HA ARG 94 24.142 1.086 -11.513 744 HB2 ARG 94 2HB ARG 94 26.019 2.891 -11.326 745 HB3 ARG 94 1HB ARG 94 27.071 1.512 -11.033 746 HG2 ARG 94 2HG ARG 94 27.197 1.995 -13.341 747 HG3 ARG 94 1HG ARG 94 26.222 0.534 -13.183 748 HD2 ARG 94 2HD ARG 94 25.001 1.782 -14.700 749 HD3 ARG 94 1HD ARG 94 24.216 2.173 -13.172 750 HE ARG 94 HE ARG 94 24.953 4.335 -13.378 751 HH11 ARG 94 1HH1 ARG 94 26.653 2.327 -15.670 752 HH12 ARG 94 2HH1 ARG 94 27.379 3.664 -16.494 753 HH21 ARG 94 1HH2 ARG 94 25.909 6.096 -14.459 754 HH22 ARG 94 2HH2 ARG 94 26.959 5.805 -15.805 755 H SER 95 H SER 95 26.920 0.252 -9.432 756 HA SER 95 HA SER 95 26.693 -2.526 -10.256 757 HB2 SER 95 2HB SER 95 28.796 -0.822 -9.185 758 HB3 SER 95 1HB SER 95 28.715 -2.370 -8.346 759 HG SER 95 HG SER 95 29.309 -1.814 -11.017 760 HA PRO 96 HA PRO 96 26.209 -2.818 -5.351 761 HB2 PRO 96 2HB PRO 96 24.935 -0.156 -4.970 762 HB3 PRO 96 1HB PRO 96 26.042 -1.035 -3.912 763 HG2 PRO 96 2HG PRO 96 26.888 1.055 -5.329 764 HG3 PRO 96 1HG PRO 96 27.918 -0.371 -5.101 765 HD2 PRO 96 2HD PRO 96 26.352 0.475 -7.500 766 HD3 PRO 96 1HD PRO 96 27.944 -0.306 -7.407 767 H GLU 97 H GLU 97 24.307 -3.565 -4.379 768 HA GLU 97 HA GLU 97 21.708 -2.745 -5.028 769 HB2 GLU 97 2HB GLU 97 22.943 -4.497 -6.970 770 HB3 GLU 97 1HB GLU 97 21.540 -5.270 -6.244 771 HG2 GLU 97 2HG GLU 97 20.096 -3.555 -6.956 772 HG3 GLU 97 1HG GLU 97 21.440 -2.489 -7.364 773 H LYS 98 H LYS 98 21.060 -3.090 -2.986 774 HA LYS 98 HA LYS 98 21.221 -5.846 -1.962 775 HB2 LYS 98 2HB LYS 98 22.492 -3.642 -0.861 776 HB3 LYS 98 1HB LYS 98 21.039 -3.810 0.116 777 HG2 LYS 98 2HG LYS 98 22.064 -5.386 1.280 778 HG3 LYS 98 1HG LYS 98 22.077 -6.398 -0.166 779 HD2 LYS 98 2HD LYS 98 24.193 -4.328 0.364 780 HD3 LYS 98 1HD LYS 98 24.317 -5.979 0.973 781 HE2 LYS 98 2HE LYS 98 23.643 -5.774 -1.873 782 HE3 LYS 98 1HE LYS 98 25.230 -5.134 -1.449 783 HZ1 LYS 98 3HZ LYS 98 26.015 -7.166 -0.946 784 HZ2 LYS 98 1HZ LYS 98 24.782 -7.693 -1.979 785 HZ3 LYS 98 2HZ LYS 98 24.548 -7.715 -0.302 786 H ALA 99 H ALA 99 19.559 -6.281 -0.240 787 HA ALA 99 HA ALA 99 17.065 -4.812 -0.795 788 HB1 ALA 99 1HB ALA 99 17.597 -7.743 -0.821 789 HB2 ALA 99 2HB ALA 99 16.619 -6.765 -1.913 790 HB3 ALA 99 3HB ALA 99 16.012 -7.164 -0.306 791 H SER 100 H SER 100 18.961 -4.449 1.379 792 HA SER 100 HA SER 100 17.195 -5.144 3.632 793 HB2 SER 100 2HB SER 100 19.224 -6.501 3.763 794 HB3 SER 100 1HB SER 100 20.223 -5.052 3.640 795 HG SER 100 HG SER 100 18.551 -5.874 5.763 796 H ASN 101 H ASN 101 19.655 -2.894 2.424 797 HA ASN 101 HA ASN 101 18.182 -0.646 3.428 798 HB2 ASN 101 2HB ASN 101 20.424 -1.740 4.965 799 HB3 ASN 101 1HB ASN 101 20.607 -0.029 4.587 800 HD21 ASN 101 1HD2 ASN 101 18.229 1.045 4.765 801 HD22 ASN 101 2HD2 ASN 101 17.521 0.809 6.324 802 H MET 102 H MET 102 19.318 1.434 2.918 803 HA MET 102 HA MET 102 20.261 1.366 0.243 804 HB2 MET 102 2HB MET 102 18.956 3.242 1.224 805 HB3 MET 102 1HB MET 102 20.353 3.664 2.203 806 HG2 MET 102 2HG MET 102 21.451 4.608 0.479 807 HG3 MET 102 1HG MET 102 20.819 3.457 -0.697 808 HE1 MET 102 3HE MET 102 20.812 5.775 -2.257 809 HE2 MET 102 1HE MET 102 21.204 6.772 -0.856 810 HE3 MET 102 2HE MET 102 19.808 7.168 -1.857 811 H GLU 103 H GLU 103 22.296 1.998 -0.579 812 HA GLU 103 HA GLU 103 24.511 1.294 1.191 813 HB2 GLU 103 2HB GLU 103 24.008 0.420 -1.280 814 HB3 GLU 103 1HB GLU 103 24.943 1.849 -1.700 815 HG2 GLU 103 2HG GLU 103 26.484 0.088 -1.618 816 HG3 GLU 103 1HG GLU 103 26.720 0.990 -0.120 817 H ASN 104 H ASN 104 26.050 2.693 1.826 818 HA ASN 104 HA ASN 104 26.325 5.269 0.495 819 HB2 ASN 104 2HB ASN 104 26.231 6.434 2.751 820 HB3 ASN 104 1HB ASN 104 24.690 5.875 2.109 821 HD21 ASN 104 1HD2 ASN 104 27.031 5.562 4.602 822 HD22 ASN 104 2HD2 ASN 104 26.156 4.442 5.585 823 H ASN 105 H ASN 105 27.379 3.222 3.200 824 HA ASN 105 HA ASN 105 29.441 2.706 4.005 825 HB2 ASN 105 2HB ASN 105 30.548 3.837 1.432 826 HB3 ASN 105 1HB ASN 105 31.300 2.649 2.490 827 HD21 ASN 105 1HD2 ASN 105 30.481 0.534 2.534 828 HD22 ASN 105 2HD2 ASN 105 29.524 -0.087 1.236 829 H GLU 106 H GLU 106 31.643 3.704 4.549 830 HA GLU 106 HA GLU 106 31.278 6.590 5.026 831 HB2 GLU 106 2HB GLU 106 32.639 6.266 7.082 832 HB3 GLU 106 1HB GLU 106 31.117 5.386 7.111 833 HG2 GLU 106 2HG GLU 106 33.172 3.728 6.005 834 HG3 GLU 106 1HG GLU 106 33.701 4.390 7.550 Start of MODEL 18 1 H1 GLY 1 1HT GLY 1 -32.437 10.533 27.883 2 H2 GLY 1 2HT GLY 1 -32.607 10.995 29.502 3 H3 GLY 1 3HT GLY 1 -32.983 12.089 28.267 4 HA2 GLY 1 1HA GLY 1 -35.026 11.264 29.134 5 HA3 GLY 1 2HA GLY 1 -34.784 10.601 27.525 6 HA PRO 2 HA PRO 2 -35.460 6.595 29.253 7 HB2 PRO 2 2HB PRO 2 -34.143 5.038 27.465 8 HB3 PRO 2 1HB PRO 2 -35.679 5.830 27.094 9 HG2 PRO 2 2HG PRO 2 -32.894 6.669 26.380 10 HG3 PRO 2 1HG PRO 2 -34.356 6.678 25.378 11 HD2 PRO 2 2HD PRO 2 -33.392 8.910 26.575 12 HD3 PRO 2 1HD PRO 2 -35.125 8.648 26.298 13 H GLY 3 H GLY 3 -34.389 4.784 30.253 14 HA2 GLY 3 2HA GLY 3 -32.183 3.723 30.715 15 HA3 GLY 3 1HA GLY 3 -31.565 5.355 30.923 16 H SER 4 H SER 4 -32.112 2.782 32.649 17 HA SER 4 HA SER 4 -32.543 4.257 35.080 18 HB2 SER 4 2HB SER 4 -34.414 2.403 35.627 19 HB3 SER 4 1HB SER 4 -34.809 3.985 34.960 20 HG SER 4 HG SER 4 -35.173 3.105 33.030 21 H LEU 5 H LEU 5 -30.391 3.416 35.346 22 HA LEU 5 HA LEU 5 -30.408 0.644 36.326 23 HB2 LEU 5 2HB LEU 5 -28.141 0.328 35.467 24 HB3 LEU 5 1HB LEU 5 -29.281 0.659 34.176 25 HG LEU 5 HG LEU 5 -28.367 3.165 34.685 26 HD11 LEU 5 1HD1 LEU 5 -25.852 1.578 34.802 27 HD12 LEU 5 2HD1 LEU 5 -26.725 1.912 36.296 28 HD13 LEU 5 3HD1 LEU 5 -26.159 3.244 35.289 29 HD21 LEU 5 3HD2 LEU 5 -27.710 1.037 32.743 30 HD22 LEU 5 1HD2 LEU 5 -26.627 2.427 32.791 31 HD23 LEU 5 2HD2 LEU 5 -28.347 2.661 32.479 32 H SER 6 H SER 6 -28.145 0.320 37.542 33 HA SER 6 HA SER 6 -27.647 2.679 39.219 34 HB2 SER 6 2HB SER 6 -29.232 0.736 40.154 35 HB3 SER 6 1HB SER 6 -27.672 0.022 40.559 36 HG SER 6 HG SER 6 -28.018 1.252 42.277 37 H ASN 7 H ASN 7 -25.641 3.062 38.349 38 HA ASN 7 HA ASN 7 -23.549 1.221 39.175 39 HB2 ASN 7 2HB ASN 7 -24.250 1.800 36.343 40 HB3 ASN 7 1HB ASN 7 -22.538 1.743 36.752 41 HD21 ASN 7 1HD2 ASN 7 -24.816 -0.035 35.443 42 HD22 ASN 7 2HD2 ASN 7 -24.371 -1.615 35.984 43 H PHE 8 H PHE 8 -21.385 2.193 39.017 44 HA PHE 8 HA PHE 8 -21.371 5.111 38.790 45 HB2 PHE 8 2HB PHE 8 -20.959 3.546 41.261 46 HB3 PHE 8 1HB PHE 8 -19.763 4.803 40.959 47 HD1 PHE 8 2HD PHE 8 -20.578 7.166 40.575 48 HD2 PHE 8 1HD PHE 8 -23.069 4.073 42.107 49 HE1 PHE 8 2HE PHE 8 -22.131 8.858 41.455 50 HE2 PHE 8 1HE PHE 8 -24.627 5.761 42.991 51 HZ PHE 8 HZ PHE 8 -24.157 8.157 42.665 52 H ALA 9 H ALA 9 -19.522 5.934 37.957 53 HA ALA 9 HA ALA 9 -17.507 6.004 36.900 54 HB1 ALA 9 1HB ALA 9 -17.012 4.972 39.372 55 HB2 ALA 9 2HB ALA 9 -15.774 5.413 38.195 56 HB3 ALA 9 3HB ALA 9 -16.311 3.739 38.324 57 H ASN 10 H ASN 10 -18.387 5.276 34.921 58 HA ASN 10 HA ASN 10 -17.602 2.524 34.232 59 HB2 ASN 10 2HB ASN 10 -19.544 2.516 32.628 60 HB3 ASN 10 1HB ASN 10 -19.994 2.503 34.330 61 HD21 ASN 10 1HD2 ASN 10 -20.811 4.412 35.269 62 HD22 ASN 10 2HD2 ASN 10 -21.520 5.652 34.296 63 H VAL 11 H VAL 11 -15.625 3.883 33.692 64 HA VAL 11 HA VAL 11 -15.783 4.599 30.857 65 HB VAL 11 HB VAL 11 -14.245 6.308 32.809 66 HG11 VAL 11 1HG1 VAL 11 -15.087 7.439 30.255 67 HG12 VAL 11 2HG1 VAL 11 -14.015 6.047 30.087 68 HG13 VAL 11 3HG1 VAL 11 -13.504 7.445 31.032 69 HG21 VAL 11 3HG2 VAL 11 -16.937 6.903 31.585 70 HG22 VAL 11 1HG2 VAL 11 -15.999 7.971 32.630 71 HG23 VAL 11 2HG2 VAL 11 -16.661 6.467 33.270 72 H GLY 12 H GLY 12 -14.779 2.258 32.233 73 HA2 GLY 12 2HA GLY 12 -11.885 2.482 32.179 74 HA3 GLY 12 1HA GLY 12 -12.814 1.043 32.571 75 H VAL 13 H VAL 13 -10.984 2.632 30.216 76 HA VAL 13 HA VAL 13 -12.075 1.354 27.901 77 HB VAL 13 HB VAL 13 -10.822 3.464 27.734 78 HG11 VAL 13 1HG1 VAL 13 -8.419 3.533 27.992 79 HG12 VAL 13 2HG1 VAL 13 -8.386 1.820 28.412 80 HG13 VAL 13 3HG1 VAL 13 -9.162 2.977 29.493 81 HG21 VAL 13 3HG2 VAL 13 -9.589 1.142 26.255 82 HG22 VAL 13 1HG2 VAL 13 -9.397 2.838 25.812 83 HG23 VAL 13 2HG2 VAL 13 -10.991 2.088 25.758 84 H GLY 14 H GLY 14 -11.699 -0.633 27.146 85 HA2 GLY 14 2HA GLY 14 -9.271 -2.044 28.020 86 HA3 GLY 14 1HA GLY 14 -10.837 -2.807 28.250 87 H THR 15 H THR 15 -8.545 -1.637 25.850 88 HA THR 15 HA THR 15 -9.985 -2.655 23.604 89 HB THR 15 HB THR 15 -7.484 -2.432 22.643 90 HG1 THR 15 1HG THR 15 -6.451 -1.942 24.521 91 HG21 THR 15 3HG2 THR 15 -9.484 -1.072 22.005 92 HG22 THR 15 1HG2 THR 15 -7.945 -0.211 21.977 93 HG23 THR 15 2HG2 THR 15 -9.066 0.028 23.318 94 H SER 16 H SER 16 -6.997 -3.728 25.233 95 HA SER 16 HA SER 16 -6.863 -6.175 23.784 96 HB2 SER 16 2HB SER 16 -5.062 -4.780 25.239 97 HB3 SER 16 1HB SER 16 -5.511 -6.015 26.416 98 HG SER 16 HG SER 16 -4.112 -7.173 25.349 99 H SER 17 H SER 17 -6.533 -8.249 25.311 100 HA SER 17 HA SER 17 -8.616 -8.432 27.329 101 HB2 SER 17 2HB SER 17 -8.672 -10.069 24.783 102 HB3 SER 17 1HB SER 17 -9.642 -10.428 26.213 103 HG SER 17 HG SER 17 -10.667 -8.433 25.963 104 H GLY 18 H GLY 18 -6.626 -10.613 25.315 105 HA2 GLY 18 2HA GLY 18 -5.245 -11.507 27.737 106 HA3 GLY 18 1HA GLY 18 -6.111 -12.716 26.801 107 H LYS 19 H LYS 19 -5.562 -12.405 24.298 108 HA LYS 19 HA LYS 19 -2.817 -11.698 23.790 109 HB2 LYS 19 2HB LYS 19 -3.634 -14.507 24.234 110 HB3 LYS 19 1HB LYS 19 -2.621 -14.217 22.826 111 HG2 LYS 19 2HG LYS 19 -0.968 -13.112 24.281 112 HG3 LYS 19 1HG LYS 19 -1.970 -13.505 25.679 113 HD2 LYS 19 2HD LYS 19 -0.569 -15.300 25.737 114 HD3 LYS 19 1HD LYS 19 -1.786 -15.943 24.633 115 HE2 LYS 19 2HE LYS 19 0.167 -16.415 23.504 116 HE3 LYS 19 1HE LYS 19 -0.293 -14.869 22.793 117 HZ1 LYS 19 3HZ LYS 19 1.946 -14.619 23.279 118 HZ2 LYS 19 1HZ LYS 19 1.834 -15.431 24.760 119 HZ3 LYS 19 2HZ LYS 19 1.194 -13.873 24.598 120 H GLN 20 H GLN 20 -2.214 -12.239 21.480 121 HA GLN 20 HA GLN 20 -4.321 -12.781 19.622 122 HB2 GLN 20 2HB GLN 20 -3.668 -10.002 20.323 123 HB3 GLN 20 1HB GLN 20 -3.645 -10.333 18.596 124 HG2 GLN 20 2HG GLN 20 -5.934 -11.313 18.844 125 HG3 GLN 20 1HG GLN 20 -5.935 -10.716 20.504 126 HE21 GLN 20 1HE2 GLN 20 -7.816 -9.952 18.599 127 HE22 GLN 20 2HE2 GLN 20 -7.609 -8.271 18.260 128 H LYS 21 H LYS 21 -3.574 -12.931 17.443 129 HA LYS 21 HA LYS 21 -0.741 -12.540 16.941 130 HB2 LYS 21 2HB LYS 21 -1.546 -15.000 17.860 131 HB3 LYS 21 1HB LYS 21 -1.602 -15.222 16.117 132 HG2 LYS 21 2HG LYS 21 0.751 -14.299 16.056 133 HG3 LYS 21 1HG LYS 21 0.755 -14.460 17.813 134 HD2 LYS 21 2HD LYS 21 1.013 -16.686 17.720 135 HD3 LYS 21 1HD LYS 21 -0.173 -16.859 16.424 136 HE2 LYS 21 2HE LYS 21 2.568 -15.750 15.906 137 HE3 LYS 21 1HE LYS 21 2.270 -17.488 15.931 138 HZ1 LYS 21 3HZ LYS 21 2.132 -16.579 13.691 139 HZ2 LYS 21 1HZ LYS 21 0.891 -15.533 14.170 140 HZ3 LYS 21 2HZ LYS 21 0.639 -17.205 14.180 141 H ARG 22 H ARG 22 -3.586 -14.205 15.571 142 HA ARG 22 HA ARG 22 -2.927 -13.697 12.884 143 HB2 ARG 22 2HB ARG 22 -4.751 -15.260 14.070 144 HB3 ARG 22 1HB ARG 22 -5.794 -13.913 13.637 145 HG2 ARG 22 2HG ARG 22 -4.511 -14.274 11.302 146 HG3 ARG 22 1HG ARG 22 -4.481 -15.922 11.933 147 HD2 ARG 22 2HD ARG 22 -7.043 -15.235 12.456 148 HD3 ARG 22 1HD ARG 22 -6.746 -14.288 10.999 149 HE ARG 22 HE ARG 22 -6.870 -16.222 9.812 150 HH11 ARG 22 1HH1 ARG 22 -6.004 -17.027 13.096 151 HH12 ARG 22 2HH1 ARG 22 -6.045 -18.735 12.819 152 HH21 ARG 22 1HH2 ARG 22 -6.924 -18.469 9.447 153 HH22 ARG 22 2HH2 ARG 22 -6.567 -19.556 10.748 154 H TYR 23 H TYR 23 -2.788 -11.788 11.922 155 HA TYR 23 HA TYR 23 -4.904 -9.960 11.769 156 HB2 TYR 23 2HB TYR 23 -3.709 -9.681 14.188 157 HB3 TYR 23 1HB TYR 23 -2.751 -8.559 13.229 158 HD1 TYR 23 1HD TYR 23 -6.379 -9.381 13.012 159 HD2 TYR 23 2HD TYR 23 -3.438 -6.436 13.891 160 HE1 TYR 23 1HE TYR 23 -8.150 -7.689 13.235 161 HE2 TYR 23 2HE TYR 23 -5.199 -4.736 14.118 162 HH TYR 23 HH TYR 23 -8.406 -5.445 14.476 163 H LYS 24 H LYS 24 -4.451 -9.911 9.609 164 HA LYS 24 HA LYS 24 -2.303 -8.174 8.784 165 HB2 LYS 24 2HB LYS 24 -2.173 -11.102 8.401 166 HB3 LYS 24 1HB LYS 24 -1.805 -10.137 6.979 167 HG2 LYS 24 2HG LYS 24 0.172 -9.480 7.785 168 HG3 LYS 24 1HG LYS 24 -0.468 -9.219 9.409 169 HD2 LYS 24 2HD LYS 24 -0.065 -11.994 8.358 170 HD3 LYS 24 1HD LYS 24 1.290 -11.084 9.030 171 HE2 LYS 24 2HE LYS 24 -1.256 -11.269 10.573 172 HE3 LYS 24 1HE LYS 24 -0.163 -12.652 10.551 173 HZ1 LYS 24 3HZ LYS 24 1.375 -11.571 11.776 174 HZ2 LYS 24 1HZ LYS 24 0.030 -10.696 12.316 175 HZ3 LYS 24 2HZ LYS 24 1.028 -10.055 11.112 176 H PHE 25 H PHE 25 -5.067 -7.884 8.696 177 HA PHE 25 HA PHE 25 -6.305 -8.628 6.314 178 HB2 PHE 25 2HB PHE 25 -6.914 -6.973 8.522 179 HB3 PHE 25 1HB PHE 25 -7.183 -6.010 7.073 180 HD1 PHE 25 1HD PHE 25 -7.886 -9.443 8.357 181 HD2 PHE 25 2HD PHE 25 -9.261 -6.097 6.118 182 HE1 PHE 25 1HE PHE 25 -10.054 -10.560 8.027 183 HE2 PHE 25 2HE PHE 25 -11.432 -7.206 5.784 184 HZ PHE 25 HZ PHE 25 -11.830 -9.442 6.740 185 H SER 26 H SER 26 -6.707 -7.469 4.370 186 HA SER 26 HA SER 26 -4.387 -6.141 3.347 187 HB2 SER 26 2HB SER 26 -5.950 -5.782 1.321 188 HB3 SER 26 1HB SER 26 -5.543 -7.443 1.751 189 HG SER 26 HG SER 26 -7.896 -6.089 2.578 190 H ALA 27 H ALA 27 -4.980 -4.696 5.430 191 HA ALA 27 HA ALA 27 -5.100 -2.092 4.708 192 HB1 ALA 27 1HB ALA 27 -7.579 -1.707 5.632 193 HB2 ALA 27 2HB ALA 27 -7.802 -3.285 4.876 194 HB3 ALA 27 3HB ALA 27 -7.221 -1.922 3.919 195 H SER 28 H SER 28 -5.854 -4.587 7.026 196 HA SER 28 HA SER 28 -6.241 -3.158 9.358 197 HB2 SER 28 2HB SER 28 -5.278 -5.840 8.670 198 HB3 SER 28 1HB SER 28 -4.653 -5.243 10.206 199 HG SER 28 HG SER 28 -7.399 -5.142 9.527 200 H GLU 29 H GLU 29 -3.265 -3.742 7.603 201 HA GLU 29 HA GLU 29 -1.414 -2.970 9.550 202 HB2 GLU 29 2HB GLU 29 0.053 -2.384 7.585 203 HB3 GLU 29 1HB GLU 29 -0.605 -4.014 7.571 204 HG2 GLU 29 2HG GLU 29 -1.152 -3.553 5.462 205 HG3 GLU 29 1HG GLU 29 -2.499 -2.663 6.171 206 H ASP 30 H ASP 30 -3.088 -1.023 7.093 207 HA ASP 30 HA ASP 30 -1.893 1.431 7.625 208 HB2 ASP 30 2HB ASP 30 -4.163 0.477 6.142 209 HB3 ASP 30 1HB ASP 30 -4.596 1.957 6.992 210 H GLU 31 H GLU 31 -4.770 -0.028 9.067 211 HA GLU 31 HA GLU 31 -5.457 2.116 10.744 212 HB2 GLU 31 2HB GLU 31 -6.960 0.215 10.255 213 HB3 GLU 31 1HB GLU 31 -5.918 -0.840 11.199 214 HG2 GLU 31 2HG GLU 31 -6.611 1.396 12.806 215 HG3 GLU 31 1HG GLU 31 -8.082 0.757 12.075 216 H ALA 32 H ALA 32 -3.070 -0.401 11.033 217 HA ALA 32 HA ALA 32 -2.597 -0.022 13.829 218 HB1 ALA 32 1HB ALA 32 -1.410 -1.632 11.659 219 HB2 ALA 32 2HB ALA 32 -1.828 -2.085 13.311 220 HB3 ALA 32 3HB ALA 32 -0.332 -1.207 12.989 221 H ILE 33 H ILE 33 -1.396 1.390 10.869 222 HA ILE 33 HA ILE 33 0.889 2.628 12.053 223 HB ILE 33 HB ILE 33 -0.384 3.819 9.635 224 HG12 ILE 33 2HG1 ILE 33 1.002 1.134 9.731 225 HG13 ILE 33 1HG1 ILE 33 -0.611 1.488 9.121 226 HG21 ILE 33 1HG2 ILE 33 2.499 3.139 10.064 227 HG22 ILE 33 2HG2 ILE 33 1.773 4.559 10.819 228 HG23 ILE 33 3HG2 ILE 33 1.787 4.407 9.062 229 HD11 ILE 33 3HD1 ILE 33 1.827 1.422 7.704 230 HD12 ILE 33 1HD1 ILE 33 1.243 3.085 7.688 231 HD13 ILE 33 2HD1 ILE 33 0.211 1.782 7.098 232 H ILE 34 H ILE 34 -2.363 3.754 11.203 233 HA ILE 34 HA ILE 34 -1.999 6.409 12.076 234 HB ILE 34 HB ILE 34 -4.480 6.523 12.214 235 HG12 ILE 34 2HG1 ILE 34 -5.531 4.342 11.114 236 HG13 ILE 34 1HG1 ILE 34 -4.158 3.576 11.905 237 HG21 ILE 34 1HG2 ILE 34 -3.614 5.154 9.683 238 HG22 ILE 34 2HG2 ILE 34 -3.137 6.803 10.093 239 HG23 ILE 34 3HG2 ILE 34 -4.843 6.404 9.885 240 HD11 ILE 34 3HD1 ILE 34 -6.621 4.642 13.034 241 HD12 ILE 34 1HD1 ILE 34 -5.169 5.142 13.898 242 HD13 ILE 34 2HD1 ILE 34 -5.511 3.428 13.669 243 H LYS 35 H LYS 35 -3.079 3.482 13.722 244 HA LYS 35 HA LYS 35 -3.769 4.747 16.168 245 HB2 LYS 35 2HB LYS 35 -4.425 2.404 15.381 246 HB3 LYS 35 1HB LYS 35 -2.816 1.898 15.879 247 HG2 LYS 35 2HG LYS 35 -4.026 3.369 18.004 248 HG3 LYS 35 1HG LYS 35 -5.144 2.120 17.450 249 HD2 LYS 35 2HD LYS 35 -3.855 0.450 18.233 250 HD3 LYS 35 1HD LYS 35 -2.360 1.232 17.718 251 HE2 LYS 35 2HE LYS 35 -3.343 2.821 19.794 252 HE3 LYS 35 1HE LYS 35 -3.597 1.159 20.324 253 HZ1 LYS 35 3HZ LYS 35 -1.396 0.774 20.470 254 HZ2 LYS 35 1HZ LYS 35 -1.311 2.453 20.654 255 HZ3 LYS 35 2HZ LYS 35 -1.005 1.751 19.146 256 H GLY 36 H GLY 36 -0.805 3.489 14.805 257 HA2 GLY 36 2HA GLY 36 0.711 3.621 17.229 258 HA3 GLY 36 1HA GLY 36 1.357 3.436 15.605 259 H LEU 37 H LEU 37 0.291 5.742 14.433 260 HA LEU 37 HA LEU 37 2.193 7.680 15.263 261 HB2 LEU 37 2HB LEU 37 0.209 7.376 13.138 262 HB3 LEU 37 1HB LEU 37 0.382 9.035 13.679 263 HG LEU 37 HG LEU 37 2.951 7.721 13.214 264 HD11 LEU 37 1HD1 LEU 37 1.165 8.184 10.834 265 HD12 LEU 37 2HD1 LEU 37 1.549 6.596 11.496 266 HD13 LEU 37 3HD1 LEU 37 2.831 7.607 10.826 267 HD21 LEU 37 3HD2 LEU 37 3.408 9.792 12.035 268 HD22 LEU 37 1HD2 LEU 37 2.644 10.131 13.588 269 HD23 LEU 37 2HD2 LEU 37 1.701 10.231 12.102 270 H ALA 38 H ALA 38 -1.076 7.010 16.144 271 HA ALA 38 HA ALA 38 -1.643 9.640 17.172 272 HB1 ALA 38 1HB ALA 38 -3.566 8.181 18.276 273 HB2 ALA 38 2HB ALA 38 -3.063 7.043 17.026 274 HB3 ALA 38 3HB ALA 38 -3.606 8.660 16.579 275 H ARG 39 H ARG 39 -0.338 6.650 18.418 276 HA ARG 39 HA ARG 39 -0.508 7.657 21.157 277 HB2 ARG 39 2HB ARG 39 0.367 4.950 20.150 278 HB3 ARG 39 1HB ARG 39 0.170 5.402 21.836 279 HG2 ARG 39 2HG ARG 39 -2.242 5.980 20.415 280 HG3 ARG 39 1HG ARG 39 -1.749 4.318 20.090 281 HD2 ARG 39 2HD ARG 39 -3.027 4.084 22.004 282 HD3 ARG 39 1HD ARG 39 -1.392 4.191 22.657 283 HE ARG 39 HE ARG 39 -2.248 6.762 22.673 284 HH11 ARG 39 1HH1 ARG 39 -3.562 3.783 23.931 285 HH12 ARG 39 2HH1 ARG 39 -4.374 4.554 25.252 286 HH21 ARG 39 1HH2 ARG 39 -3.315 7.777 24.410 287 HH22 ARG 39 2HH2 ARG 39 -4.234 6.821 25.524 288 H PHE 40 H PHE 40 1.962 5.986 19.226 289 HA PHE 40 HA PHE 40 4.005 7.482 20.720 290 HB2 PHE 40 2HB PHE 40 5.532 5.695 19.546 291 HB3 PHE 40 1HB PHE 40 4.607 5.276 20.981 292 HD1 PHE 40 2HD PHE 40 2.479 3.995 20.728 293 HD2 PHE 40 1HD PHE 40 5.171 4.613 17.490 294 HE1 PHE 40 2HE PHE 40 1.433 2.131 19.506 295 HE2 PHE 40 1HE PHE 40 4.130 2.751 16.264 296 HZ PHE 40 HZ PHE 40 2.260 1.508 17.272 297 H THR 41 H THR 41 5.108 9.036 19.787 298 HA THR 41 HA THR 41 5.844 8.972 17.019 299 HB THR 41 HB THR 41 4.699 11.324 16.721 300 HG1 THR 41 1HG THR 41 3.110 11.742 18.034 301 HG21 THR 41 3HG2 THR 41 4.205 9.152 15.481 302 HG22 THR 41 1HG2 THR 41 2.936 10.377 15.537 303 HG23 THR 41 2HG2 THR 41 2.855 8.973 16.602 304 H LYS 42 H LYS 42 7.903 9.116 18.010 305 HA LYS 42 HA LYS 42 8.834 10.922 19.836 306 HB2 LYS 42 2HB LYS 42 11.048 10.708 18.731 307 HB3 LYS 42 1HB LYS 42 10.249 9.165 18.995 308 HG2 LYS 42 2HG LYS 42 9.684 8.961 16.704 309 HG3 LYS 42 1HG LYS 42 10.145 10.633 16.374 310 HD2 LYS 42 2HD LYS 42 12.384 10.162 16.386 311 HD3 LYS 42 1HD LYS 42 12.204 8.813 17.508 312 HE2 LYS 42 2HE LYS 42 11.183 7.480 15.710 313 HE3 LYS 42 1HE LYS 42 11.420 8.825 14.595 314 HZ1 LYS 42 3HZ LYS 42 13.169 7.164 14.389 315 HZ2 LYS 42 1HZ LYS 42 13.586 7.371 16.017 316 HZ3 LYS 42 2HZ LYS 42 13.800 8.640 14.919 317 H GLY 43 H GLY 43 8.336 11.470 16.375 318 HA2 GLY 43 2HA GLY 43 7.561 13.732 15.779 319 HA3 GLY 43 1HA GLY 43 8.782 14.350 16.880 320 H GLN 44 H GLN 44 10.877 12.556 16.054 321 HA GLN 44 HA GLN 44 12.115 14.032 14.081 322 HB2 GLN 44 2HB GLN 44 12.869 11.965 15.662 323 HB3 GLN 44 1HB GLN 44 12.787 11.156 14.103 324 HG2 GLN 44 2HG GLN 44 14.140 13.572 13.660 325 HG3 GLN 44 1HG GLN 44 14.805 12.896 15.146 326 HE21 GLN 44 1HE2 GLN 44 15.856 13.197 12.351 327 HE22 GLN 44 2HE2 GLN 44 16.419 11.619 11.928 328 H GLN 45 H GLN 45 9.760 11.509 13.751 329 HA GLN 45 HA GLN 45 9.488 12.067 10.938 330 HB2 GLN 45 2HB GLN 45 11.123 9.895 11.749 331 HB3 GLN 45 1HB GLN 45 9.638 9.210 11.105 332 HG2 GLN 45 2HG GLN 45 10.178 9.730 9.011 333 HG3 GLN 45 1HG GLN 45 10.700 11.354 9.454 334 HE21 GLN 45 1HE2 GLN 45 11.921 8.266 10.635 335 HE22 GLN 45 2HE2 GLN 45 13.527 8.464 10.031 336 H ARG 46 H ARG 46 8.682 9.368 13.106 337 HA ARG 46 HA ARG 46 6.687 8.784 14.083 338 HB2 ARG 46 2HB ARG 46 5.248 10.739 12.294 339 HB3 ARG 46 1HB ARG 46 4.668 10.002 13.778 340 HG2 ARG 46 2HG ARG 46 5.680 11.516 15.085 341 HG3 ARG 46 1HG ARG 46 7.118 11.595 14.067 342 HD2 ARG 46 2HD ARG 46 6.134 13.715 13.879 343 HD3 ARG 46 1HD ARG 46 5.665 12.871 12.404 344 HE ARG 46 HE ARG 46 3.491 13.072 13.052 345 HH11 ARG 46 1HH1 ARG 46 5.511 13.426 15.876 346 HH12 ARG 46 2HH1 ARG 46 4.190 13.814 16.926 347 HH21 ARG 46 1HH2 ARG 46 1.751 13.581 14.431 348 HH22 ARG 46 2HH2 ARG 46 2.055 13.902 16.107 349 H PHE 47 H PHE 47 6.851 9.335 10.620 350 HA PHE 47 HA PHE 47 4.941 7.300 9.976 351 HB2 PHE 47 2HB PHE 47 7.008 8.589 8.184 352 HB3 PHE 47 1HB PHE 47 5.585 7.693 7.665 353 HD1 PHE 47 2HD PHE 47 3.351 8.662 7.906 354 HD2 PHE 47 1HD PHE 47 6.854 10.855 8.923 355 HE1 PHE 47 2HE PHE 47 2.046 10.748 7.887 356 HE2 PHE 47 1HE PHE 47 5.554 12.945 8.908 357 HZ PHE 47 HZ PHE 47 3.148 12.893 8.388 358 H GLN 48 H GLN 48 8.485 7.535 9.729 359 HA GLN 48 HA GLN 48 8.803 4.837 8.884 360 HB2 GLN 48 2HB GLN 48 10.867 6.640 10.163 361 HB3 GLN 48 1HB GLN 48 11.181 5.201 9.202 362 HG2 GLN 48 2HG GLN 48 9.968 6.420 7.313 363 HG3 GLN 48 1HG GLN 48 10.161 7.868 8.301 364 HE21 GLN 48 1HE2 GLN 48 11.269 7.628 5.777 365 HE22 GLN 48 2HE2 GLN 48 12.991 7.586 5.918 366 H GLN 49 H GLN 49 9.184 6.490 12.002 367 HA GLN 49 HA GLN 49 10.095 4.305 13.486 368 HB2 GLN 49 2HB GLN 49 10.084 6.687 14.245 369 HB3 GLN 49 1HB GLN 49 8.347 6.556 14.490 370 HG2 GLN 49 2HG GLN 49 9.320 4.411 15.894 371 HG3 GLN 49 1HG GLN 49 10.552 5.645 16.157 372 HE21 GLN 49 1HE2 GLN 49 7.105 4.976 16.392 373 HE22 GLN 49 2HE2 GLN 49 6.785 6.099 17.664 374 H ILE 50 H ILE 50 6.759 5.512 13.064 375 HA ILE 50 HA ILE 50 5.534 3.503 14.599 376 HB ILE 50 HB ILE 50 4.531 5.702 13.679 377 HG12 ILE 50 2HG1 ILE 50 3.283 4.191 15.099 378 HG13 ILE 50 1HG1 ILE 50 2.243 4.765 13.800 379 HG21 ILE 50 1HG2 ILE 50 4.933 5.193 11.309 380 HG22 ILE 50 2HG2 ILE 50 3.238 5.531 11.650 381 HG23 ILE 50 3HG2 ILE 50 3.776 3.868 11.413 382 HD11 ILE 50 3HD1 ILE 50 3.343 2.053 14.295 383 HD12 ILE 50 1HD1 ILE 50 3.014 2.549 12.635 384 HD13 ILE 50 2HD1 ILE 50 1.717 2.548 13.829 385 H TYR 51 H TYR 51 6.457 3.655 11.211 386 HA TYR 51 HA TYR 51 5.167 1.385 10.254 387 HB2 TYR 51 2HB TYR 51 6.240 2.848 8.697 388 HB3 TYR 51 1HB TYR 51 7.801 2.635 9.479 389 HD1 TYR 51 2HD TYR 51 5.230 0.206 8.262 390 HD2 TYR 51 1HD TYR 51 9.250 1.580 8.025 391 HE1 TYR 51 2HE TYR 51 5.757 -1.623 6.705 392 HE2 TYR 51 1HE TYR 51 9.787 -0.244 6.467 393 HH TYR 51 HH TYR 51 7.364 -2.208 5.025 394 H TYR 52 H TYR 52 8.386 1.694 11.687 395 HA TYR 52 HA TYR 52 8.993 -1.072 11.588 396 HB2 TYR 52 2HB TYR 52 10.149 1.206 13.195 397 HB3 TYR 52 1HB TYR 52 10.781 -0.435 13.275 398 HD1 TYR 52 1HD TYR 52 11.359 -1.498 10.918 399 HD2 TYR 52 2HD TYR 52 11.104 2.677 11.692 400 HE1 TYR 52 1HE TYR 52 12.772 -1.053 8.955 401 HE2 TYR 52 2HE TYR 52 12.515 3.133 9.732 402 HH TYR 52 HH TYR 52 12.965 1.561 7.381 403 H ALA 53 H ALA 53 7.170 0.882 13.791 404 HA ALA 53 HA ALA 53 7.370 -0.820 16.056 405 HB1 ALA 53 1HB ALA 53 5.064 0.448 16.524 406 HB2 ALA 53 2HB ALA 53 5.726 1.505 15.275 407 HB3 ALA 53 3HB ALA 53 6.642 1.205 16.752 408 H TYR 54 H TYR 54 4.799 -0.400 13.636 409 HA TYR 54 HA TYR 54 3.339 -2.658 14.647 410 HB2 TYR 54 2HB TYR 54 1.633 -2.066 13.208 411 HB3 TYR 54 1HB TYR 54 2.420 -0.519 13.478 412 HD1 TYR 54 1HD TYR 54 2.122 -3.322 11.066 413 HD2 TYR 54 2HD TYR 54 3.296 0.720 11.673 414 HE1 TYR 54 1HE TYR 54 2.364 -3.033 8.637 415 HE2 TYR 54 2HE TYR 54 3.536 1.019 9.245 416 HH TYR 54 HH TYR 54 2.279 -1.059 7.001 417 H ARG 55 H ARG 55 6.107 -2.565 12.915 418 HA ARG 55 HA ARG 55 5.774 -4.234 10.736 419 HB2 ARG 55 2HB ARG 55 8.017 -3.568 12.549 420 HB3 ARG 55 1HB ARG 55 8.202 -5.035 11.600 421 HG2 ARG 55 2HG ARG 55 7.385 -2.490 10.269 422 HG3 ARG 55 1HG ARG 55 9.079 -2.787 10.667 423 HD2 ARG 55 2HD ARG 55 8.443 -5.131 9.509 424 HD3 ARG 55 1HD ARG 55 7.350 -4.056 8.642 425 HE ARG 55 HE ARG 55 9.150 -3.179 7.543 426 HH11 ARG 55 1HH1 ARG 55 10.290 -4.884 10.366 427 HH12 ARG 55 2HH1 ARG 55 11.963 -4.716 9.947 428 HH21 ARG 55 1HH2 ARG 55 11.348 -2.957 6.989 429 HH22 ARG 55 2HH2 ARG 55 12.564 -3.621 8.030 430 H SER 56 H SER 56 5.563 -5.013 14.096 431 HA SER 56 HA SER 56 6.124 -7.788 13.906 432 HB2 SER 56 2HB SER 56 6.108 -6.371 16.020 433 HB3 SER 56 1HB SER 56 4.349 -6.494 15.977 434 HG SER 56 HG SER 56 6.217 -8.351 16.714 435 H VAL 57 H VAL 57 3.202 -5.876 13.516 436 HA VAL 57 HA VAL 57 1.505 -8.216 13.376 437 HB VAL 57 HB VAL 57 0.624 -6.140 14.338 438 HG11 VAL 57 1HG1 VAL 57 1.453 -5.046 11.717 439 HG12 VAL 57 2HG1 VAL 57 1.460 -4.299 13.314 440 HG13 VAL 57 3HG1 VAL 57 -0.046 -4.426 12.407 441 HG21 VAL 57 3HG2 VAL 57 -1.464 -6.569 13.619 442 HG22 VAL 57 1HG2 VAL 57 -0.686 -7.865 12.712 443 HG23 VAL 57 2HG2 VAL 57 -1.040 -6.328 11.924 444 H TRP 58 H TRP 58 3.260 -6.191 11.176 445 HA TRP 58 HA TRP 58 1.880 -7.430 8.894 446 HB2 TRP 58 2HB TRP 58 2.005 -4.899 9.078 447 HB3 TRP 58 1HB TRP 58 3.734 -5.052 8.795 448 HD1 TRP 58 HD TRP 58 4.137 -4.272 6.396 449 HE1 TRP 58 1HE TRP 58 3.091 -4.761 4.095 450 HE3 TRP 58 3HE TRP 58 0.237 -7.225 7.887 451 HZ2 TRP 58 2HZ TRP 58 0.904 -6.207 3.052 452 HZ3 TRP 58 3HZ TRP 58 -1.285 -8.119 6.174 453 HH2 TRP 58 HH TRP 58 -0.957 -7.619 3.807 454 H HIS 59 H HIS 59 3.298 -7.876 6.977 455 HA HIS 59 HA HIS 59 5.308 -9.715 7.683 456 HB2 HIS 59 2HB HIS 59 3.841 -9.557 5.538 457 HB3 HIS 59 1HB HIS 59 5.124 -8.510 4.940 458 HD1 HIS 59 1HD HIS 59 7.421 -9.612 4.450 459 HD2 HIS 59 2HD HIS 59 4.483 -12.270 5.706 460 HE1 HIS 59 1HE HIS 59 8.328 -11.903 3.950 461 HE2 HIS 59 2HE HIS 59 6.572 -13.496 4.799 462 HA PRO 60 HA PRO 60 8.585 -6.697 8.384 463 HB2 PRO 60 2HB PRO 60 10.227 -9.162 8.465 464 HB3 PRO 60 1HB PRO 60 10.084 -7.865 9.656 465 HG2 PRO 60 2HG PRO 60 8.967 -10.252 10.083 466 HG3 PRO 60 1HG PRO 60 8.160 -8.755 10.590 467 HD2 PRO 60 2HD PRO 60 7.609 -10.500 8.221 468 HD3 PRO 60 1HD PRO 60 6.469 -9.659 9.293 469 H ALA 61 H ALA 61 9.513 -5.620 6.773 470 HA ALA 61 HA ALA 61 11.423 -6.674 5.031 471 HB1 ALA 61 1HB ALA 61 9.840 -6.225 2.920 472 HB2 ALA 61 2HB ALA 61 8.635 -6.824 4.061 473 HB3 ALA 61 3HB ALA 61 10.034 -7.817 3.655 474 H ARG 62 H ARG 62 12.559 -5.053 4.099 475 HA ARG 62 HA ARG 62 12.107 -2.399 4.871 476 HB2 ARG 62 2HB ARG 62 14.096 -3.857 3.417 477 HB3 ARG 62 1HB ARG 62 13.712 -2.392 2.525 478 HG2 ARG 62 2HG ARG 62 14.203 -2.183 5.448 479 HG3 ARG 62 1HG ARG 62 15.579 -2.424 4.370 480 HD2 ARG 62 2HD ARG 62 13.527 -0.230 4.106 481 HD3 ARG 62 1HD ARG 62 15.122 -0.040 4.831 482 HE ARG 62 HE ARG 62 15.530 -1.074 2.300 483 HH11 ARG 62 1HH1 ARG 62 14.152 1.814 3.693 484 HH12 ARG 62 2HH1 ARG 62 14.558 2.811 2.337 485 HH21 ARG 62 1HH2 ARG 62 16.065 0.237 0.515 486 HH22 ARG 62 2HH2 ARG 62 15.644 1.917 0.533 487 H THR 63 H THR 63 10.297 -1.357 4.283 488 HA THR 63 HA THR 63 9.925 -0.717 1.492 489 HB THR 63 HB THR 63 7.462 -1.752 2.805 490 HG1 THR 63 1HG THR 63 9.418 -3.426 1.617 491 HG21 THR 63 3HG2 THR 63 6.620 -1.845 0.743 492 HG22 THR 63 1HG2 THR 63 8.099 -2.522 0.062 493 HG23 THR 63 2HG2 THR 63 7.965 -0.783 0.322 494 H VAL 64 H VAL 64 10.649 0.877 3.662 495 HA VAL 64 HA VAL 64 8.524 2.194 4.928 496 HB VAL 64 HB VAL 64 10.928 2.408 5.575 497 HG11 VAL 64 1HG1 VAL 64 12.279 4.133 4.427 498 HG12 VAL 64 2HG1 VAL 64 11.036 4.237 3.180 499 HG13 VAL 64 3HG1 VAL 64 11.932 2.735 3.407 500 HG21 VAL 64 3HG2 VAL 64 9.232 3.913 6.473 501 HG22 VAL 64 1HG2 VAL 64 9.457 5.000 5.101 502 HG23 VAL 64 2HG2 VAL 64 10.768 4.752 6.256 503 H SER 65 H SER 65 9.993 2.630 1.772 504 HA SER 65 HA SER 65 8.895 5.107 1.083 505 HB2 SER 65 2HB SER 65 9.450 2.740 -0.725 506 HB3 SER 65 1HB SER 65 9.213 4.404 -1.258 507 HG SER 65 HG SER 65 11.258 3.570 0.522 508 H GLN 66 H GLN 66 7.613 1.839 0.815 509 HA GLN 66 HA GLN 66 5.222 2.465 -0.521 510 HB2 GLN 66 2HB GLN 66 6.240 0.156 -0.092 511 HB3 GLN 66 1HB GLN 66 5.521 0.253 1.510 512 HG2 GLN 66 2HG GLN 66 3.343 0.215 0.660 513 HG3 GLN 66 1HG GLN 66 3.880 0.609 -0.972 514 HE21 GLN 66 1HE2 GLN 66 5.233 -1.029 -2.050 515 HE22 GLN 66 2HE2 GLN 66 4.882 -2.696 -1.761 516 H LEU 67 H LEU 67 6.189 2.644 2.829 517 HA LEU 67 HA LEU 67 3.652 2.913 4.004 518 HB2 LEU 67 2HB LEU 67 5.888 2.523 5.153 519 HB3 LEU 67 1HB LEU 67 6.195 4.233 4.941 520 HG LEU 67 HG LEU 67 5.466 4.041 7.149 521 HD11 LEU 67 1HD1 LEU 67 4.278 5.794 5.825 522 HD12 LEU 67 2HD1 LEU 67 3.432 5.258 7.276 523 HD13 LEU 67 3HD1 LEU 67 2.913 4.683 5.692 524 HD21 LEU 67 3HD2 LEU 67 4.683 1.891 7.395 525 HD22 LEU 67 1HD2 LEU 67 3.531 2.043 6.068 526 HD23 LEU 67 2HD2 LEU 67 3.220 2.849 7.608 527 H TYR 68 H TYR 68 5.983 5.356 2.955 528 HA TYR 68 HA TYR 68 4.363 7.580 3.536 529 HB2 TYR 68 2HB TYR 68 6.681 7.160 1.659 530 HB3 TYR 68 1HB TYR 68 5.855 8.712 1.767 531 HD1 TYR 68 1HD TYR 68 6.095 6.731 4.812 532 HD2 TYR 68 2HD TYR 68 8.019 9.709 2.449 533 HE1 TYR 68 1HE TYR 68 7.502 7.343 6.732 534 HE2 TYR 68 2HE TYR 68 9.427 10.327 4.368 535 HH TYR 68 HH TYR 68 9.139 10.119 7.006 536 H ASP 69 H ASP 69 4.440 5.347 0.894 537 HA ASP 69 HA ASP 69 3.028 6.890 -0.995 538 HB2 ASP 69 2HB ASP 69 3.590 3.967 -0.658 539 HB3 ASP 69 1HB ASP 69 2.460 4.504 -1.899 540 H HIS 70 H HIS 70 1.912 4.384 1.280 541 HA HIS 70 HA HIS 70 -0.817 4.896 0.525 542 HB2 HIS 70 2HB HIS 70 -1.431 3.222 2.197 543 HB3 HIS 70 1HB HIS 70 -0.180 2.627 1.115 544 HD1 HIS 70 1HD HIS 70 1.264 1.151 2.413 545 HD2 HIS 70 2HD HIS 70 0.201 4.541 4.564 546 HE1 HIS 70 1HE HIS 70 2.502 0.979 4.585 547 HE2 HIS 70 2HE HIS 70 1.896 3.074 5.845 548 H TRP 71 H TRP 71 1.380 6.203 2.765 549 HA TRP 71 HA TRP 71 -0.684 7.218 4.534 550 HB2 TRP 71 2HB TRP 71 2.009 6.690 4.888 551 HB3 TRP 71 1HB TRP 71 1.964 8.445 4.778 552 HD1 TRP 71 HD TRP 71 1.449 5.671 7.179 553 HE1 TRP 71 1HE TRP 71 0.466 6.563 9.384 554 HE3 TRP 71 3HE TRP 71 0.140 10.371 5.644 555 HZ2 TRP 71 2HZ TRP 71 -0.710 8.943 10.346 556 HZ3 TRP 71 3HZ TRP 71 -0.909 11.891 7.269 557 HH2 TRP 71 HH TRP 71 -1.324 11.192 9.570 558 H ARG 72 H ARG 72 1.309 8.258 1.845 559 HA ARG 72 HA ARG 72 0.587 11.035 2.074 560 HB2 ARG 72 2HB ARG 72 2.708 10.402 1.047 561 HB3 ARG 72 1HB ARG 72 1.859 9.487 -0.190 562 HG2 ARG 72 2HG ARG 72 0.747 11.700 -0.815 563 HG3 ARG 72 1HG ARG 72 1.994 12.459 0.175 564 HD2 ARG 72 2HD ARG 72 3.392 12.355 -1.544 565 HD3 ARG 72 1HD ARG 72 3.294 10.597 -1.501 566 HE ARG 72 HE ARG 72 1.888 12.388 -3.306 567 HH11 ARG 72 1HH1 ARG 72 2.245 9.135 -2.082 568 HH12 ARG 72 2HH1 ARG 72 1.455 8.406 -3.437 569 HH21 ARG 72 1HH2 ARG 72 0.850 11.426 -5.087 570 HH22 ARG 72 2HH2 ARG 72 0.665 9.705 -5.142 571 H GLY 73 H GLY 73 -0.594 8.213 0.386 572 HA2 GLY 73 2HA GLY 73 -2.404 9.725 -1.290 573 HA3 GLY 73 1HA GLY 73 -2.299 7.974 -1.177 574 H THR 74 H THR 74 -2.596 7.833 1.681 575 HA THR 74 HA THR 74 -5.435 7.831 1.826 576 HB THR 74 HB THR 74 -3.970 6.219 3.035 577 HG1 THR 74 1HG THR 74 -5.623 7.723 4.774 578 HG21 THR 74 3HG2 THR 74 -3.517 8.337 5.098 579 HG22 THR 74 1HG2 THR 74 -2.343 8.021 3.822 580 HG23 THR 74 2HG2 THR 74 -2.774 6.742 4.956 581 H LEU 75 H LEU 75 -2.920 9.851 3.312 582 HA LEU 75 HA LEU 75 -4.670 11.469 4.819 583 HB2 LEU 75 2HB LEU 75 -2.047 11.201 4.836 584 HB3 LEU 75 1HB LEU 75 -2.115 12.562 3.732 585 HG LEU 75 HG LEU 75 -1.730 13.295 6.032 586 HD11 LEU 75 1HD1 LEU 75 -3.379 14.432 4.254 587 HD12 LEU 75 2HD1 LEU 75 -3.028 15.132 5.832 588 HD13 LEU 75 3HD1 LEU 75 -4.505 14.199 5.590 589 HD21 LEU 75 3HD2 LEU 75 -3.108 11.314 6.954 590 HD22 LEU 75 1HD2 LEU 75 -4.491 12.390 6.755 591 HD23 LEU 75 2HD2 LEU 75 -3.155 12.855 7.809 592 H ARG 76 H ARG 76 -3.656 11.555 1.484 593 HA ARG 76 HA ARG 76 -5.127 14.075 1.099 594 HB2 ARG 76 2HB ARG 76 -2.880 12.782 -0.420 595 HB3 ARG 76 1HB ARG 76 -3.901 13.992 -1.183 596 HG2 ARG 76 2HG ARG 76 -2.398 14.452 1.382 597 HG3 ARG 76 1HG ARG 76 -1.775 14.867 -0.218 598 HD2 ARG 76 2HD ARG 76 -4.482 15.854 0.374 599 HD3 ARG 76 1HD ARG 76 -3.197 16.551 1.361 600 HE ARG 76 HE ARG 76 -3.739 17.128 -1.355 601 HH11 ARG 76 1HH1 ARG 76 -1.086 16.674 0.868 602 HH12 ARG 76 2HH1 ARG 76 -0.004 17.695 -0.019 603 HH21 ARG 76 1HH2 ARG 76 -2.317 18.470 -2.523 604 HH22 ARG 76 2HH2 ARG 76 -0.703 18.715 -1.944 605 H TYR 77 H TYR 77 -5.864 14.086 -1.421 606 HA TYR 77 HA TYR 77 -7.179 11.555 -2.058 607 HB2 TYR 77 2HB TYR 77 -8.529 14.035 -1.177 608 HB3 TYR 77 1HB TYR 77 -9.228 13.243 -2.587 609 HD1 TYR 77 2HD TYR 77 -9.570 10.629 -2.308 610 HD2 TYR 77 1HD TYR 77 -9.263 13.390 0.914 611 HE1 TYR 77 2HE TYR 77 -10.735 9.037 -0.841 612 HE2 TYR 77 1HE TYR 77 -10.426 11.806 2.390 613 HH TYR 77 HH TYR 77 -12.178 9.772 1.894 614 H LYS 78 H LYS 78 -8.393 11.792 -4.218 615 HA LYS 78 HA LYS 78 -8.287 12.146 -6.462 616 HB2 LYS 78 2HB LYS 78 -7.695 14.773 -5.271 617 HB3 LYS 78 1HB LYS 78 -7.142 14.580 -6.929 618 HG2 LYS 78 2HG LYS 78 -9.211 15.281 -7.429 619 HG3 LYS 78 1HG LYS 78 -9.645 13.595 -7.136 620 HD2 LYS 78 2HD LYS 78 -9.906 14.386 -4.664 621 HD3 LYS 78 1HD LYS 78 -10.041 15.989 -5.390 622 HE2 LYS 78 2HE LYS 78 -11.705 13.665 -6.314 623 HE3 LYS 78 1HE LYS 78 -12.205 14.701 -4.979 624 HZ1 LYS 78 3HZ LYS 78 -13.185 15.467 -7.019 625 HZ2 LYS 78 1HZ LYS 78 -11.672 15.561 -7.772 626 HZ3 LYS 78 2HZ LYS 78 -12.050 16.608 -6.498 627 H VAL 79 H VAL 79 -6.762 12.493 -8.312 628 HA VAL 79 HA VAL 79 -3.947 12.147 -7.575 629 HB VAL 79 HB VAL 79 -3.783 10.338 -9.346 630 HG11 VAL 79 1HG1 VAL 79 -5.057 8.676 -7.657 631 HG12 VAL 79 2HG1 VAL 79 -4.926 10.109 -6.637 632 HG13 VAL 79 3HG1 VAL 79 -3.475 9.380 -7.324 633 HG21 VAL 79 3HG2 VAL 79 -6.605 9.622 -8.886 634 HG22 VAL 79 1HG2 VAL 79 -5.603 9.429 -10.324 635 HG23 VAL 79 2HG2 VAL 79 -6.326 10.996 -9.958 636 H ILE 80 H ILE 80 -2.598 12.038 -9.709 637 HA ILE 80 HA ILE 80 -3.646 14.104 -11.535 638 HB ILE 80 HB ILE 80 -1.273 14.768 -11.913 639 HG12 ILE 80 2HG1 ILE 80 -0.397 13.538 -9.380 640 HG13 ILE 80 1HG1 ILE 80 -0.640 12.406 -10.706 641 HG21 ILE 80 1HG2 ILE 80 -2.853 15.880 -10.284 642 HG22 ILE 80 2HG2 ILE 80 -1.133 16.153 -10.004 643 HG23 ILE 80 3HG2 ILE 80 -2.017 14.996 -9.009 644 HD11 ILE 80 3HD1 ILE 80 1.020 14.882 -11.015 645 HD12 ILE 80 1HD1 ILE 80 0.994 13.437 -12.026 646 HD13 ILE 80 2HD1 ILE 80 1.685 13.366 -10.405 647 H GLN 81 H GLN 81 -3.182 13.920 -13.735 648 HA GLN 81 HA GLN 81 -2.136 11.296 -14.580 649 HB2 GLN 81 2HB GLN 81 -4.684 11.857 -14.851 650 HB3 GLN 81 1HB GLN 81 -4.134 12.805 -16.225 651 HG2 GLN 81 2HG GLN 81 -4.018 10.991 -17.479 652 HG3 GLN 81 1HG GLN 81 -2.920 10.226 -16.330 653 HE21 GLN 81 1HE2 GLN 81 -6.370 11.044 -16.552 654 HE22 GLN 81 2HE2 GLN 81 -6.943 9.519 -15.973 655 H GLN 82 H GLN 82 -0.305 11.465 -15.673 656 HA GLN 82 HA GLN 82 0.041 13.695 -17.543 657 HB2 GLN 82 2HB GLN 82 2.444 13.856 -16.801 658 HB3 GLN 82 1HB GLN 82 1.260 14.448 -15.643 659 HG2 GLN 82 2HG GLN 82 2.162 13.136 -14.113 660 HG3 GLN 82 1HG GLN 82 1.633 11.735 -15.045 661 HE21 GLN 82 1HE2 GLN 82 4.162 14.197 -15.444 662 HE22 GLN 82 2HE2 GLN 82 5.456 13.075 -15.677 663 H GLN 83 H GLN 83 2.018 13.300 -18.968 664 HA GLN 83 HA GLN 83 1.971 10.484 -19.794 665 HB2 GLN 83 2HB GLN 83 2.744 11.289 -21.975 666 HB3 GLN 83 1HB GLN 83 1.262 12.101 -21.488 667 HG2 GLN 83 2HG GLN 83 2.310 13.983 -22.023 668 HG3 GLN 83 1HG GLN 83 3.196 13.774 -20.514 669 HE21 GLN 83 1HE2 GLN 83 3.452 14.140 -23.818 670 HE22 GLN 83 2HE2 GLN 83 5.106 13.681 -24.011 671 H GLY 84 H GLY 84 3.862 9.340 -20.208 672 HA2 GLY 84 2HA GLY 84 6.137 8.881 -20.186 673 HA3 GLY 84 1HA GLY 84 6.445 10.575 -19.839 674 H TYR 85 H TYR 85 7.032 7.683 -18.648 675 HA TYR 85 HA TYR 85 6.267 8.119 -15.888 676 HB2 TYR 85 2HB TYR 85 7.844 5.930 -17.250 677 HB3 TYR 85 1HB TYR 85 7.534 5.968 -15.516 678 HD1 TYR 85 1HD TYR 85 6.013 5.545 -18.835 679 HD2 TYR 85 2HD TYR 85 5.356 5.442 -14.633 680 HE1 TYR 85 1HE TYR 85 3.859 4.415 -19.204 681 HE2 TYR 85 2HE TYR 85 3.203 4.311 -14.990 682 HH TYR 85 HH TYR 85 1.484 4.213 -16.989 683 H ARG 86 H ARG 86 9.428 7.181 -17.222 684 HA ARG 86 HA ARG 86 10.708 9.466 -15.978 685 HB2 ARG 86 2HB ARG 86 11.127 6.638 -15.034 686 HB3 ARG 86 1HB ARG 86 12.361 7.873 -14.820 687 HG2 ARG 86 2HG ARG 86 10.291 9.189 -13.784 688 HG3 ARG 86 1HG ARG 86 9.753 7.539 -13.468 689 HD2 ARG 86 2HD ARG 86 11.994 7.111 -12.425 690 HD3 ARG 86 1HD ARG 86 12.319 8.837 -12.572 691 HE ARG 86 HE ARG 86 9.961 8.754 -11.245 692 HH11 ARG 86 1HH1 ARG 86 13.060 7.238 -10.719 693 HH12 ARG 86 2HH1 ARG 86 12.884 7.189 -8.997 694 HH21 ARG 86 1HH2 ARG 86 9.728 8.691 -8.979 695 HH22 ARG 86 2HH2 ARG 86 10.993 8.014 -8.010 696 H GLY 87 H GLY 87 10.352 8.356 -18.682 697 HA2 GLY 87 2HA GLY 87 11.583 8.068 -20.597 698 HA3 GLY 87 1HA GLY 87 12.878 8.891 -19.740 699 H LYS 88 H LYS 88 14.391 7.543 -20.825 700 HA LYS 88 HA LYS 88 14.451 4.770 -19.832 701 HB2 LYS 88 2HB LYS 88 15.885 4.275 -21.799 702 HB3 LYS 88 1HB LYS 88 14.269 4.809 -22.237 703 HG2 LYS 88 2HG LYS 88 15.855 7.123 -22.116 704 HG3 LYS 88 1HG LYS 88 16.805 5.909 -22.975 705 HD2 LYS 88 2HD LYS 88 15.082 5.589 -24.588 706 HD3 LYS 88 1HD LYS 88 13.938 6.548 -23.646 707 HE2 LYS 88 2HE LYS 88 16.447 7.574 -24.967 708 HE3 LYS 88 1HE LYS 88 14.801 7.814 -25.548 709 HZ1 LYS 88 3HZ LYS 88 16.220 9.151 -23.407 710 HZ2 LYS 88 1HZ LYS 88 14.617 8.743 -23.050 711 HZ3 LYS 88 2HZ LYS 88 14.964 9.712 -24.391 712 H ASN 89 H ASN 89 16.899 3.958 -20.031 713 HA ASN 89 HA ASN 89 18.304 5.288 -17.980 714 HB2 ASN 89 2HB ASN 89 18.431 2.801 -19.072 715 HB3 ASN 89 1HB ASN 89 19.879 3.532 -19.758 716 HD21 ASN 89 1HD2 ASN 89 20.691 1.676 -18.356 717 HD22 ASN 89 2HD2 ASN 89 21.136 2.090 -16.739 718 H SER 90 H SER 90 20.161 6.540 -18.010 719 HA SER 90 HA SER 90 20.614 7.979 -20.517 720 HB2 SER 90 2HB SER 90 21.560 8.645 -17.720 721 HB3 SER 90 1HB SER 90 21.696 9.683 -19.140 722 HG SER 90 HG SER 90 19.474 9.869 -19.188 723 H VAL 91 H VAL 91 22.990 8.802 -20.713 724 HA VAL 91 HA VAL 91 25.151 8.295 -21.219 725 HB VAL 91 HB VAL 91 25.018 6.307 -18.953 726 HG11 VAL 91 1HG1 VAL 91 27.456 7.864 -19.507 727 HG12 VAL 91 2HG1 VAL 91 27.014 6.671 -20.728 728 HG13 VAL 91 3HG1 VAL 91 27.266 6.169 -19.057 729 HG21 VAL 91 3HG2 VAL 91 25.277 9.287 -18.941 730 HG22 VAL 91 1HG2 VAL 91 26.057 8.322 -17.689 731 HG23 VAL 91 2HG2 VAL 91 24.307 8.244 -17.901 732 H ALA 92 H ALA 92 25.055 7.355 -23.195 733 HA ALA 92 HA ALA 92 24.429 4.500 -23.380 734 HB1 ALA 92 1HB ALA 92 24.995 6.020 -25.842 735 HB2 ALA 92 2HB ALA 92 23.577 6.533 -24.924 736 HB3 ALA 92 3HB ALA 92 23.708 4.866 -25.486 737 H ALA 93 H ALA 93 25.779 3.125 -24.745 738 HA ALA 93 HA ALA 93 28.611 3.713 -24.308 739 HB1 ALA 93 1HB ALA 93 27.278 1.125 -25.099 740 HB2 ALA 93 2HB ALA 93 27.744 1.585 -23.463 741 HB3 ALA 93 3HB ALA 93 28.981 1.337 -24.693 742 H ARG 94 H ARG 94 28.849 5.213 -26.035 743 HA ARG 94 HA ARG 94 28.660 4.053 -28.731 744 HB2 ARG 94 2HB ARG 94 27.928 6.586 -27.694 745 HB3 ARG 94 1HB ARG 94 29.290 6.852 -28.774 746 HG2 ARG 94 2HG ARG 94 27.776 5.183 -30.271 747 HG3 ARG 94 1HG ARG 94 26.531 6.049 -29.368 748 HD2 ARG 94 2HD ARG 94 28.106 8.108 -30.080 749 HD3 ARG 94 1HD ARG 94 28.409 7.018 -31.432 750 HE ARG 94 HE ARG 94 26.319 7.491 -32.207 751 HH11 ARG 94 1HH1 ARG 94 26.437 8.293 -28.813 752 HH12 ARG 94 2HH1 ARG 94 24.851 8.989 -28.794 753 HH21 ARG 94 1HH2 ARG 94 24.234 8.406 -32.185 754 HH22 ARG 94 2HH2 ARG 94 23.598 9.052 -30.708 755 H SER 95 H SER 95 30.801 6.000 -26.666 756 HA SER 95 HA SER 95 33.013 5.821 -28.468 757 HB2 SER 95 2HB SER 95 34.285 6.935 -26.733 758 HB3 SER 95 1HB SER 95 32.695 7.692 -26.846 759 HG SER 95 HG SER 95 33.611 5.848 -24.902 760 HA PRO 96 HA PRO 96 34.007 1.641 -27.069 761 HB2 PRO 96 2HB PRO 96 35.994 1.209 -28.866 762 HB3 PRO 96 1HB PRO 96 34.282 1.072 -29.280 763 HG2 PRO 96 2HG PRO 96 36.170 3.345 -29.759 764 HG3 PRO 96 1HG PRO 96 34.958 2.648 -30.851 765 HD2 PRO 96 2HD PRO 96 34.522 4.929 -29.463 766 HD3 PRO 96 1HD PRO 96 33.219 3.787 -29.851 767 H GLU 97 H GLU 97 36.136 0.539 -26.506 768 HA GLU 97 HA GLU 97 38.178 2.431 -25.591 769 HB2 GLU 97 2HB GLU 97 36.878 0.345 -23.830 770 HB3 GLU 97 1HB GLU 97 38.258 1.339 -23.381 771 HG2 GLU 97 2HG GLU 97 36.963 3.305 -23.353 772 HG3 GLU 97 1HG GLU 97 35.615 2.518 -24.172 773 H LYS 98 H LYS 98 40.097 1.765 -26.267 774 HA LYS 98 HA LYS 98 40.810 -1.047 -26.118 775 HB2 LYS 98 2HB LYS 98 41.616 -1.102 -28.455 776 HB3 LYS 98 1HB LYS 98 39.872 -0.916 -28.346 777 HG2 LYS 98 2HG LYS 98 40.163 1.522 -28.707 778 HG3 LYS 98 1HG LYS 98 41.886 1.233 -28.962 779 HD2 LYS 98 2HD LYS 98 40.896 -0.557 -30.684 780 HD3 LYS 98 1HD LYS 98 39.571 0.608 -30.701 781 HE2 LYS 98 2HE LYS 98 41.010 2.363 -31.403 782 HE3 LYS 98 1HE LYS 98 42.449 1.389 -31.103 783 HZ1 LYS 98 3HZ LYS 98 41.458 -0.161 -32.864 784 HZ2 LYS 98 1HZ LYS 98 42.170 1.283 -33.386 785 HZ3 LYS 98 2HZ LYS 98 40.487 1.154 -33.294 786 H ALA 99 H ALA 99 41.837 2.186 -27.175 787 HA ALA 99 HA ALA 99 44.508 1.604 -26.073 788 HB1 ALA 99 1HB ALA 99 45.208 3.535 -27.623 789 HB2 ALA 99 2HB ALA 99 43.662 3.257 -28.425 790 HB3 ALA 99 3HB ALA 99 44.860 1.965 -28.347 791 H SER 100 H SER 100 44.647 2.477 -24.109 792 HA SER 100 HA SER 100 43.658 5.230 -23.742 793 HB2 SER 100 2HB SER 100 43.345 2.810 -22.059 794 HB3 SER 100 1HB SER 100 43.709 4.309 -21.203 795 HG SER 100 HG SER 100 41.629 4.050 -23.112 796 H ASN 101 H ASN 101 44.917 6.641 -22.506 797 HA ASN 101 HA ASN 101 46.817 7.564 -21.661 798 HB2 ASN 101 2HB ASN 101 46.719 5.015 -20.521 799 HB3 ASN 101 1HB ASN 101 48.364 5.161 -21.138 800 HD21 ASN 101 1HD2 ASN 101 49.791 6.364 -20.054 801 HD22 ASN 101 2HD2 ASN 101 49.426 7.314 -18.658 802 H MET 102 H MET 102 48.174 4.570 -23.027 803 HA MET 102 HA MET 102 49.454 6.164 -25.132 804 HB2 MET 102 2HB MET 102 51.547 4.764 -24.749 805 HB3 MET 102 1HB MET 102 51.207 6.011 -23.558 806 HG2 MET 102 2HG MET 102 50.124 4.211 -22.163 807 HG3 MET 102 1HG MET 102 50.813 3.048 -23.293 808 HE1 MET 102 3HE MET 102 53.263 2.096 -20.866 809 HE2 MET 102 1HE MET 102 51.567 1.963 -21.334 810 HE3 MET 102 2HE MET 102 52.020 2.915 -19.919 811 H GLU 103 H GLU 103 50.543 4.660 -26.773 812 HA GLU 103 HA GLU 103 49.161 2.095 -27.027 813 HB2 GLU 103 2HB GLU 103 48.111 4.221 -28.304 814 HB3 GLU 103 1HB GLU 103 49.292 3.715 -29.506 815 HG2 GLU 103 2HG GLU 103 48.169 1.343 -28.950 816 HG3 GLU 103 1HG GLU 103 46.803 2.410 -28.624 817 H ASN 104 H ASN 104 51.301 4.246 -28.910 818 HA ASN 104 HA ASN 104 52.760 2.192 -30.135 819 HB2 ASN 104 2HB ASN 104 54.454 3.955 -30.600 820 HB3 ASN 104 1HB ASN 104 52.814 4.443 -31.018 821 HD21 ASN 104 1HD2 ASN 104 55.584 5.128 -29.176 822 HD22 ASN 104 2HD2 ASN 104 54.972 6.505 -28.329 823 H ASN 105 H ASN 105 54.698 1.201 -29.661 824 HA ASN 105 HA ASN 105 55.400 1.149 -26.838 825 HB2 ASN 105 2HB ASN 105 56.832 -0.787 -27.504 826 HB3 ASN 105 1HB ASN 105 55.129 -0.997 -27.906 827 HD21 ASN 105 1HD2 ASN 105 54.700 -1.682 -29.868 828 HD22 ASN 105 2HD2 ASN 105 55.741 -1.560 -31.242 829 H GLU 106 H GLU 106 57.936 0.671 -26.576 830 HA GLU 106 HA GLU 106 59.320 2.911 -27.903 831 HB2 GLU 106 2HB GLU 106 59.317 1.969 -25.069 832 HB3 GLU 106 1HB GLU 106 60.787 2.688 -25.711 833 HG2 GLU 106 2HG GLU 106 59.942 4.752 -25.671 834 HG3 GLU 106 1HG GLU 106 58.376 4.227 -26.285 Start of MODEL 19 1 H1 GLY 1 1HT GLY 1 -39.858 -26.340 42.271 2 H2 GLY 1 2HT GLY 1 -39.143 -27.855 42.516 3 H3 GLY 1 3HT GLY 1 -38.324 -26.667 41.633 4 HA2 GLY 1 1HA GLY 1 -38.748 -25.370 43.936 5 HA3 GLY 1 2HA GLY 1 -38.553 -27.025 44.496 6 HA PRO 2 HA PRO 2 -34.176 -26.677 44.183 7 HB2 PRO 2 2HB PRO 2 -33.376 -29.021 43.081 8 HB3 PRO 2 1HB PRO 2 -34.002 -28.903 44.730 9 HG2 PRO 2 2HG PRO 2 -35.406 -29.758 42.227 10 HG3 PRO 2 1HG PRO 2 -35.469 -30.478 43.847 11 HD2 PRO 2 2HD PRO 2 -37.411 -28.842 42.899 12 HD3 PRO 2 1HD PRO 2 -36.979 -28.915 44.619 13 H GLY 3 H GLY 3 -32.530 -26.007 42.841 14 HA2 GLY 3 2HA GLY 3 -31.452 -25.415 40.892 15 HA3 GLY 3 1HA GLY 3 -32.503 -26.527 40.030 16 H SER 4 H SER 4 -32.050 -24.456 38.593 17 HA SER 4 HA SER 4 -34.292 -22.595 39.032 18 HB2 SER 4 2HB SER 4 -31.653 -22.126 37.628 19 HB3 SER 4 1HB SER 4 -32.992 -20.979 37.628 20 HG SER 4 HG SER 4 -32.817 -21.150 40.013 21 H LEU 5 H LEU 5 -32.522 -24.513 36.665 22 HA LEU 5 HA LEU 5 -33.106 -25.363 34.639 23 HB2 LEU 5 2HB LEU 5 -35.206 -25.875 36.114 24 HB3 LEU 5 1HB LEU 5 -35.967 -24.638 35.132 25 HG LEU 5 HG LEU 5 -34.913 -26.174 33.182 26 HD11 LEU 5 1HD1 LEU 5 -34.035 -27.991 34.214 27 HD12 LEU 5 2HD1 LEU 5 -35.706 -28.546 34.093 28 HD13 LEU 5 3HD1 LEU 5 -35.110 -27.862 35.606 29 HD21 LEU 5 3HD2 LEU 5 -37.536 -26.116 34.570 30 HD22 LEU 5 1HD2 LEU 5 -37.257 -27.396 33.389 31 HD23 LEU 5 2HD2 LEU 5 -37.124 -25.704 32.906 32 H SER 6 H SER 6 -32.456 -22.544 34.920 33 HA SER 6 HA SER 6 -33.853 -21.515 32.539 34 HB2 SER 6 2HB SER 6 -32.660 -19.613 34.511 35 HB3 SER 6 1HB SER 6 -34.047 -19.401 33.443 36 HG SER 6 HG SER 6 -34.390 -19.726 35.833 37 H ASN 7 H ASN 7 -32.214 -22.389 31.205 38 HA ASN 7 HA ASN 7 -30.298 -22.316 29.984 39 HB2 ASN 7 2HB ASN 7 -30.963 -19.685 30.491 40 HB3 ASN 7 1HB ASN 7 -29.283 -19.770 31.014 41 HD21 ASN 7 1HD2 ASN 7 -31.369 -20.755 28.324 42 HD22 ASN 7 2HD2 ASN 7 -30.210 -20.433 27.083 43 H PHE 8 H PHE 8 -27.785 -21.708 30.277 44 HA PHE 8 HA PHE 8 -27.004 -23.015 32.790 45 HB2 PHE 8 2HB PHE 8 -26.386 -23.780 30.288 46 HB3 PHE 8 1HB PHE 8 -25.036 -22.692 30.592 47 HD1 PHE 8 2HD PHE 8 -26.873 -25.204 32.653 48 HD2 PHE 8 1HD PHE 8 -23.136 -23.840 31.144 49 HE1 PHE 8 2HE PHE 8 -25.724 -26.988 33.898 50 HE2 PHE 8 1HE PHE 8 -21.980 -25.622 32.386 51 HZ PHE 8 HZ PHE 8 -23.273 -27.199 33.766 52 H ALA 9 H ALA 9 -25.964 -20.420 30.585 53 HA ALA 9 HA ALA 9 -23.967 -19.362 32.250 54 HB1 ALA 9 1HB ALA 9 -25.450 -18.442 29.866 55 HB2 ALA 9 2HB ALA 9 -23.713 -18.512 30.168 56 HB3 ALA 9 3HB ALA 9 -24.675 -17.196 30.845 57 H ASN 10 H ASN 10 -24.247 -16.849 32.849 58 HA ASN 10 HA ASN 10 -26.768 -16.128 33.980 59 HB2 ASN 10 2HB ASN 10 -25.549 -17.906 35.551 60 HB3 ASN 10 1HB ASN 10 -24.706 -16.462 36.104 61 HD21 ASN 10 1HD2 ASN 10 -26.394 -14.541 36.315 62 HD22 ASN 10 2HD2 ASN 10 -27.760 -14.931 37.297 63 H VAL 11 H VAL 11 -23.344 -15.605 34.842 64 HA VAL 11 HA VAL 11 -23.656 -12.788 34.056 65 HB VAL 11 HB VAL 11 -22.159 -12.199 36.014 66 HG11 VAL 11 1HG1 VAL 11 -24.880 -13.287 36.723 67 HG12 VAL 11 2HG1 VAL 11 -24.593 -11.743 35.922 68 HG13 VAL 11 3HG1 VAL 11 -23.997 -12.012 37.558 69 HG21 VAL 11 3HG2 VAL 11 -21.266 -14.251 36.706 70 HG22 VAL 11 1HG2 VAL 11 -22.846 -15.034 36.728 71 HG23 VAL 11 2HG2 VAL 11 -22.438 -13.839 37.960 72 H GLY 12 H GLY 12 -21.788 -11.763 33.298 73 HA2 GLY 12 2HA GLY 12 -19.424 -11.705 32.879 74 HA3 GLY 12 1HA GLY 12 -19.403 -13.459 32.984 75 H VAL 13 H VAL 13 -18.149 -12.324 30.891 76 HA VAL 13 HA VAL 13 -19.730 -13.294 28.660 77 HB VAL 13 HB VAL 13 -19.165 -11.261 27.278 78 HG11 VAL 13 1HG1 VAL 13 -21.424 -11.653 28.039 79 HG12 VAL 13 2HG1 VAL 13 -21.057 -9.932 28.148 80 HG13 VAL 13 3HG1 VAL 13 -21.056 -10.927 29.604 81 HG21 VAL 13 3HG2 VAL 13 -19.068 -9.195 28.997 82 HG22 VAL 13 1HG2 VAL 13 -17.636 -9.937 28.285 83 HG23 VAL 13 2HG2 VAL 13 -18.149 -10.392 29.910 84 H GLY 14 H GLY 14 -16.696 -11.729 29.656 85 HA2 GLY 14 2HA GLY 14 -14.579 -12.801 29.393 86 HA3 GLY 14 1HA GLY 14 -15.249 -13.723 28.054 87 H THR 15 H THR 15 -16.491 -11.296 26.892 88 HA THR 15 HA THR 15 -14.361 -9.484 26.272 89 HB THR 15 HB THR 15 -13.548 -11.199 24.851 90 HG1 THR 15 1HG THR 15 -13.391 -9.658 23.445 91 HG21 THR 15 3HG2 THR 15 -15.099 -12.840 24.557 92 HG22 THR 15 1HG2 THR 15 -15.196 -12.031 22.992 93 HG23 THR 15 2HG2 THR 15 -16.407 -11.702 24.231 94 H SER 16 H SER 16 -15.249 -7.575 25.846 95 HA SER 16 HA SER 16 -18.092 -7.485 25.141 96 HB2 SER 16 2HB SER 16 -16.218 -5.409 26.292 97 HB3 SER 16 1HB SER 16 -17.869 -5.048 25.788 98 HG SER 16 HG SER 16 -16.962 -6.640 27.917 99 H SER 17 H SER 17 -16.139 -8.150 23.140 100 HA SER 17 HA SER 17 -16.798 -6.080 21.211 101 HB2 SER 17 2HB SER 17 -14.402 -6.079 20.366 102 HB3 SER 17 1HB SER 17 -14.669 -5.251 21.900 103 HG SER 17 HG SER 17 -13.853 -7.957 21.752 104 H GLY 18 H GLY 18 -16.943 -6.825 19.112 105 HA2 GLY 18 2HA GLY 18 -16.243 -9.650 18.651 106 HA3 GLY 18 1HA GLY 18 -17.863 -9.077 18.286 107 H LYS 19 H LYS 19 -14.573 -7.837 17.689 108 HA LYS 19 HA LYS 19 -15.307 -7.580 14.848 109 HB2 LYS 19 2HB LYS 19 -14.469 -5.579 16.662 110 HB3 LYS 19 1HB LYS 19 -13.131 -5.843 15.554 111 HG2 LYS 19 2HG LYS 19 -15.957 -5.308 14.673 112 HG3 LYS 19 1HG LYS 19 -14.724 -4.061 14.860 113 HD2 LYS 19 2HD LYS 19 -14.231 -4.476 12.715 114 HD3 LYS 19 1HD LYS 19 -13.445 -5.935 13.318 115 HE2 LYS 19 2HE LYS 19 -15.041 -6.309 11.427 116 HE3 LYS 19 1HE LYS 19 -15.383 -7.251 12.879 117 HZ1 LYS 19 3HZ LYS 19 -16.706 -4.670 12.684 118 HZ2 LYS 19 1HZ LYS 19 -17.297 -6.152 13.247 119 HZ3 LYS 19 2HZ LYS 19 -17.222 -5.847 11.586 120 H GLN 20 H GLN 20 -14.093 -8.669 13.445 121 HA GLN 20 HA GLN 20 -11.316 -9.288 14.083 122 HB2 GLN 20 2HB GLN 20 -11.645 -11.678 13.446 123 HB3 GLN 20 1HB GLN 20 -12.439 -11.227 14.949 124 HG2 GLN 20 2HG GLN 20 -14.401 -11.885 14.172 125 HG3 GLN 20 1HG GLN 20 -14.240 -10.844 12.758 126 HE21 GLN 20 1HE2 GLN 20 -13.007 -13.920 14.030 127 HE22 GLN 20 2HE2 GLN 20 -13.054 -14.759 12.521 128 H LYS 21 H LYS 21 -10.869 -7.809 12.393 129 HA LYS 21 HA LYS 21 -10.727 -9.037 9.811 130 HB2 LYS 21 2HB LYS 21 -12.925 -7.247 10.392 131 HB3 LYS 21 1HB LYS 21 -11.911 -6.591 9.113 132 HG2 LYS 21 2HG LYS 21 -12.112 -8.840 7.979 133 HG3 LYS 21 1HG LYS 21 -13.366 -9.219 9.163 134 HD2 LYS 21 2HD LYS 21 -14.121 -6.739 8.245 135 HD3 LYS 21 1HD LYS 21 -13.472 -7.511 6.796 136 HE2 LYS 21 2HE LYS 21 -15.348 -9.035 8.543 137 HE3 LYS 21 1HE LYS 21 -15.995 -7.799 7.464 138 HZ1 LYS 21 3HZ LYS 21 -15.675 -10.288 6.704 139 HZ2 LYS 21 1HZ LYS 21 -14.122 -9.730 6.327 140 HZ3 LYS 21 2HZ LYS 21 -15.475 -8.998 5.628 141 H ARG 22 H ARG 22 -8.952 -7.915 11.824 142 HA ARG 22 HA ARG 22 -7.679 -5.817 10.193 143 HB2 ARG 22 2HB ARG 22 -8.101 -5.999 13.142 144 HB3 ARG 22 1HB ARG 22 -6.627 -5.241 12.557 145 HG2 ARG 22 2HG ARG 22 -7.841 -3.563 11.405 146 HG3 ARG 22 1HG ARG 22 -9.368 -4.415 11.644 147 HD2 ARG 22 2HD ARG 22 -7.660 -3.234 13.832 148 HD3 ARG 22 1HD ARG 22 -9.117 -2.497 13.165 149 HE ARG 22 HE ARG 22 -9.865 -5.011 14.000 150 HH11 ARG 22 1HH1 ARG 22 -8.494 -2.164 15.484 151 HH12 ARG 22 2HH1 ARG 22 -9.213 -2.471 17.029 152 HH21 ARG 22 1HH2 ARG 22 -10.812 -5.415 16.032 153 HH22 ARG 22 2HH2 ARG 22 -10.528 -4.317 17.341 154 H TYR 23 H TYR 23 -7.239 -8.581 9.846 155 HA TYR 23 HA TYR 23 -4.606 -9.031 11.061 156 HB2 TYR 23 2HB TYR 23 -6.793 -10.739 10.553 157 HB3 TYR 23 1HB TYR 23 -5.520 -11.234 9.442 158 HD1 TYR 23 2HD TYR 23 -5.559 -10.049 12.991 159 HD2 TYR 23 1HD TYR 23 -4.380 -13.069 10.237 160 HE1 TYR 23 2HE TYR 23 -4.451 -11.273 14.816 161 HE2 TYR 23 1HE TYR 23 -3.271 -14.301 12.053 162 HH TYR 23 HH TYR 23 -2.313 -13.157 14.735 163 H LYS 24 H LYS 24 -3.619 -7.429 9.668 164 HA LYS 24 HA LYS 24 -2.396 -6.773 7.868 165 HB2 LYS 24 2HB LYS 24 -1.539 -9.178 8.318 166 HB3 LYS 24 1HB LYS 24 -2.450 -9.609 6.878 167 HG2 LYS 24 2HG LYS 24 -1.128 -7.653 5.786 168 HG3 LYS 24 1HG LYS 24 -0.024 -7.895 7.141 169 HD2 LYS 24 2HD LYS 24 0.536 -10.047 6.461 170 HD3 LYS 24 1HD LYS 24 -0.918 -10.219 5.477 171 HE2 LYS 24 2HE LYS 24 -0.063 -8.755 3.811 172 HE3 LYS 24 1HE LYS 24 1.278 -8.261 4.843 173 HZ1 LYS 24 3HZ LYS 24 2.315 -9.781 3.530 174 HZ2 LYS 24 1HZ LYS 24 0.929 -10.722 3.298 175 HZ3 LYS 24 2HZ LYS 24 1.784 -10.820 4.754 176 H PHE 25 H PHE 25 -5.241 -6.642 7.652 177 HA PHE 25 HA PHE 25 -6.256 -7.580 5.229 178 HB2 PHE 25 2HB PHE 25 -7.481 -6.457 7.203 179 HB3 PHE 25 1HB PHE 25 -7.077 -4.944 6.401 180 HD1 PHE 25 2HD PHE 25 -8.798 -8.188 5.889 181 HD2 PHE 25 1HD PHE 25 -8.390 -4.135 4.656 182 HE1 PHE 25 2HE PHE 25 -10.775 -8.431 4.443 183 HE2 PHE 25 1HE PHE 25 -10.368 -4.370 3.211 184 HZ PHE 25 HZ PHE 25 -11.562 -6.521 3.102 185 H SER 26 H SER 26 -6.667 -6.480 3.231 186 HA SER 26 HA SER 26 -4.378 -5.064 2.264 187 HB2 SER 26 2HB SER 26 -7.007 -5.260 0.800 188 HB3 SER 26 1HB SER 26 -5.377 -5.195 0.130 189 HG SER 26 HG SER 26 -5.056 -7.290 1.147 190 H ALA 27 H ALA 27 -5.066 -3.578 4.261 191 HA ALA 27 HA ALA 27 -5.274 -1.008 3.487 192 HB1 ALA 27 1HB ALA 27 -7.961 -2.280 3.665 193 HB2 ALA 27 2HB ALA 27 -7.376 -1.028 2.569 194 HB3 ALA 27 3HB ALA 27 -7.771 -0.624 4.240 195 H SER 28 H SER 28 -6.010 -3.489 5.814 196 HA SER 28 HA SER 28 -6.520 -1.972 8.095 197 HB2 SER 28 2HB SER 28 -6.833 -4.302 8.283 198 HB3 SER 28 1HB SER 28 -5.207 -4.655 7.698 199 HG SER 28 HG SER 28 -5.785 -3.332 10.142 200 H GLU 29 H GLU 29 -3.583 -2.380 6.330 201 HA GLU 29 HA GLU 29 -1.640 -1.942 8.255 202 HB2 GLU 29 2HB GLU 29 -1.609 -0.794 5.462 203 HB3 GLU 29 1HB GLU 29 -0.217 -1.163 6.469 204 HG2 GLU 29 2HG GLU 29 -0.205 -3.306 5.867 205 HG3 GLU 29 1HG GLU 29 -1.954 -3.459 6.029 206 H ASP 30 H ASP 30 -3.409 0.483 6.339 207 HA ASP 30 HA ASP 30 -2.218 2.763 7.402 208 HB2 ASP 30 2HB ASP 30 -4.582 2.144 5.833 209 HB3 ASP 30 1HB ASP 30 -4.877 3.481 6.938 210 H GLU 31 H GLU 31 -4.726 0.701 8.689 211 HA GLU 31 HA GLU 31 -5.587 2.469 10.745 212 HB2 GLU 31 2HB GLU 31 -5.773 -0.547 10.689 213 HB3 GLU 31 1HB GLU 31 -6.740 0.548 11.667 214 HG2 GLU 31 2HG GLU 31 -7.677 1.501 9.578 215 HG3 GLU 31 1HG GLU 31 -6.795 0.272 8.672 216 H ALA 32 H ALA 32 -3.056 0.081 10.444 217 HA ALA 32 HA ALA 32 -2.436 -0.056 13.223 218 HB1 ALA 32 1HB ALA 32 -0.240 -1.039 12.293 219 HB2 ALA 32 2HB ALA 32 -1.047 -0.955 10.727 220 HB3 ALA 32 3HB ALA 32 -1.742 -1.924 12.026 221 H ILE 33 H ILE 33 -1.389 1.968 10.558 222 HA ILE 33 HA ILE 33 0.843 3.084 11.965 223 HB ILE 33 HB ILE 33 -0.540 4.541 9.742 224 HG12 ILE 33 2HG1 ILE 33 1.555 2.475 9.172 225 HG13 ILE 33 1HG1 ILE 33 -0.139 2.012 9.262 226 HG21 ILE 33 1HG2 ILE 33 1.231 5.755 10.696 227 HG22 ILE 33 2HG2 ILE 33 1.885 5.063 9.211 228 HG23 ILE 33 3HG2 ILE 33 2.272 4.334 10.769 229 HD11 ILE 33 3HD1 ILE 33 0.260 2.394 6.999 230 HD12 ILE 33 1HD1 ILE 33 1.187 3.860 7.321 231 HD13 ILE 33 2HD1 ILE 33 -0.560 3.851 7.559 232 H ILE 34 H ILE 34 -2.514 4.021 11.432 233 HA ILE 34 HA ILE 34 -2.314 6.564 12.613 234 HB ILE 34 HB ILE 34 -4.784 6.431 12.917 235 HG12 ILE 34 2HG1 ILE 34 -4.470 3.706 11.648 236 HG13 ILE 34 1HG1 ILE 34 -4.881 3.985 13.336 237 HG21 ILE 34 1HG2 ILE 34 -5.304 6.354 10.516 238 HG22 ILE 34 2HG2 ILE 34 -3.722 5.636 10.209 239 HG23 ILE 34 3HG2 ILE 34 -3.838 7.275 10.851 240 HD11 ILE 34 3HD1 ILE 34 -6.523 4.738 10.932 241 HD12 ILE 34 1HD1 ILE 34 -6.925 5.161 12.597 242 HD13 ILE 34 2HD1 ILE 34 -6.869 3.468 12.105 243 H LYS 35 H LYS 35 -3.070 3.375 13.943 244 HA LYS 35 HA LYS 35 -3.682 4.303 16.554 245 HB2 LYS 35 2HB LYS 35 -3.453 1.766 15.217 246 HB3 LYS 35 1HB LYS 35 -2.606 1.694 16.756 247 HG2 LYS 35 2HG LYS 35 -4.507 1.893 17.973 248 HG3 LYS 35 1HG LYS 35 -5.310 2.897 16.762 249 HD2 LYS 35 2HD LYS 35 -6.484 0.889 16.658 250 HD3 LYS 35 1HD LYS 35 -5.336 0.754 15.325 251 HE2 LYS 35 2HE LYS 35 -4.009 -0.776 16.455 252 HE3 LYS 35 1HE LYS 35 -4.629 -0.298 18.034 253 HZ1 LYS 35 3HZ LYS 35 -6.577 -1.416 16.192 254 HZ2 LYS 35 1HZ LYS 35 -6.390 -1.665 17.856 255 HZ3 LYS 35 2HZ LYS 35 -5.404 -2.494 16.760 256 H GLY 36 H GLY 36 -0.731 3.124 15.027 257 HA2 GLY 36 2HA GLY 36 0.919 3.233 17.312 258 HA3 GLY 36 1HA GLY 36 1.473 3.299 15.645 259 H LEU 37 H LEU 37 0.375 5.588 14.711 260 HA LEU 37 HA LEU 37 2.106 7.576 15.581 261 HB2 LEU 37 2HB LEU 37 0.101 7.299 13.619 262 HB3 LEU 37 1HB LEU 37 -0.307 8.741 14.527 263 HG LEU 37 HG LEU 37 2.265 9.281 14.123 264 HD11 LEU 37 1HD1 LEU 37 2.414 8.518 11.536 265 HD12 LEU 37 2HD1 LEU 37 1.631 7.108 12.249 266 HD13 LEU 37 3HD1 LEU 37 3.187 7.660 12.869 267 HD21 LEU 37 3HD2 LEU 37 -0.089 9.706 12.318 268 HD22 LEU 37 1HD2 LEU 37 1.493 10.387 11.935 269 HD23 LEU 37 2HD2 LEU 37 0.675 10.838 13.432 270 H ALA 38 H ALA 38 -1.153 6.776 16.636 271 HA ALA 38 HA ALA 38 -1.604 9.108 18.173 272 HB1 ALA 38 1HB ALA 38 -3.595 8.087 17.944 273 HB2 ALA 38 2HB ALA 38 -3.127 7.246 19.420 274 HB3 ALA 38 3HB ALA 38 -2.878 6.479 17.853 275 H ARG 39 H ARG 39 0.098 6.123 18.806 276 HA ARG 39 HA ARG 39 0.646 7.069 21.545 277 HB2 ARG 39 2HB ARG 39 -0.428 4.635 20.758 278 HB3 ARG 39 1HB ARG 39 1.261 4.263 21.073 279 HG2 ARG 39 2HG ARG 39 0.896 5.532 23.287 280 HG3 ARG 39 1HG ARG 39 -0.821 5.303 22.950 281 HD2 ARG 39 2HD ARG 39 1.275 3.155 23.237 282 HD3 ARG 39 1HD ARG 39 -0.034 3.514 24.362 283 HE ARG 39 HE ARG 39 -0.921 2.854 21.705 284 HH11 ARG 39 1HH1 ARG 39 -0.032 1.583 24.832 285 HH12 ARG 39 2HH1 ARG 39 -0.938 0.122 24.635 286 HH21 ARG 39 1HH2 ARG 39 -2.114 0.930 21.445 287 HH22 ARG 39 2HH2 ARG 39 -2.119 -0.251 22.712 288 H PHE 40 H PHE 40 2.054 7.514 18.850 289 HA PHE 40 HA PHE 40 4.730 7.126 19.914 290 HB2 PHE 40 2HB PHE 40 3.768 5.863 17.356 291 HB3 PHE 40 1HB PHE 40 5.464 6.262 17.597 292 HD1 PHE 40 1HD PHE 40 2.655 4.315 19.041 293 HD2 PHE 40 2HD PHE 40 6.872 4.823 18.765 294 HE1 PHE 40 1HE PHE 40 2.986 2.186 20.229 295 HE2 PHE 40 2HE PHE 40 7.209 2.695 19.953 296 HZ PHE 40 HZ PHE 40 5.265 1.374 20.687 297 H THR 41 H THR 41 5.351 9.192 19.936 298 HA THR 41 HA THR 41 5.768 10.573 17.467 299 HB THR 41 HB THR 41 4.460 12.637 18.389 300 HG1 THR 41 1HG THR 41 3.097 12.263 19.934 301 HG21 THR 41 3HG2 THR 41 3.854 10.820 16.462 302 HG22 THR 41 1HG2 THR 41 2.920 12.272 16.820 303 HG23 THR 41 2HG2 THR 41 2.438 10.723 17.511 304 H LYS 42 H LYS 42 7.887 10.237 18.463 305 HA LYS 42 HA LYS 42 8.500 12.362 20.409 306 HB2 LYS 42 2HB LYS 42 10.031 9.774 20.237 307 HB3 LYS 42 1HB LYS 42 10.076 10.981 21.516 308 HG2 LYS 42 2HG LYS 42 7.607 9.393 20.883 309 HG3 LYS 42 1HG LYS 42 8.839 8.835 22.017 310 HD2 LYS 42 2HD LYS 42 7.807 11.592 22.375 311 HD3 LYS 42 1HD LYS 42 6.721 10.262 22.784 312 HE2 LYS 42 2HE LYS 42 8.896 9.378 24.025 313 HE3 LYS 42 1HE LYS 42 9.271 11.101 24.053 314 HZ1 LYS 42 3HZ LYS 42 8.102 10.553 26.037 315 HZ2 LYS 42 1HZ LYS 42 6.866 9.778 25.180 316 HZ3 LYS 42 2HZ LYS 42 7.050 11.455 25.067 317 H GLY 43 H GLY 43 8.571 12.831 17.685 318 HA2 GLY 43 2HA GLY 43 11.037 13.990 17.281 319 HA3 GLY 43 1HA GLY 43 11.168 12.385 16.579 320 H GLN 44 H GLN 44 11.585 13.973 14.707 321 HA GLN 44 HA GLN 44 9.082 14.873 13.482 322 HB2 GLN 44 2HB GLN 44 11.975 15.508 13.020 323 HB3 GLN 44 1HB GLN 44 10.796 15.813 11.752 324 HG2 GLN 44 2HG GLN 44 9.999 16.837 14.364 325 HG3 GLN 44 1HG GLN 44 11.484 17.552 13.740 326 HE21 GLN 44 1HE2 GLN 44 11.417 18.752 11.836 327 HE22 GLN 44 2HE2 GLN 44 9.935 19.356 11.185 328 H GLN 45 H GLN 45 9.787 12.049 13.681 329 HA GLN 45 HA GLN 45 9.429 11.370 10.883 330 HB2 GLN 45 2HB GLN 45 11.211 9.565 11.076 331 HB3 GLN 45 1HB GLN 45 11.785 11.217 10.905 332 HG2 GLN 45 2HG GLN 45 13.145 10.277 12.548 333 HG3 GLN 45 1HG GLN 45 11.975 11.251 13.437 334 HE21 GLN 45 1HE2 GLN 45 11.300 10.300 15.206 335 HE22 GLN 45 2HE2 GLN 45 11.053 8.605 15.431 336 H ARG 46 H ARG 46 7.664 11.271 13.058 337 HA ARG 46 HA ARG 46 7.504 8.818 14.376 338 HB2 ARG 46 2HB ARG 46 5.042 9.344 14.548 339 HB3 ARG 46 1HB ARG 46 6.127 10.598 15.134 340 HG2 ARG 46 2HG ARG 46 5.459 10.925 12.325 341 HG3 ARG 46 1HG ARG 46 4.040 10.937 13.374 342 HD2 ARG 46 2HD ARG 46 6.336 12.514 14.327 343 HD3 ARG 46 1HD ARG 46 5.574 13.106 12.853 344 HE ARG 46 HE ARG 46 3.650 12.509 14.866 345 HH11 ARG 46 1HH1 ARG 46 5.984 14.903 13.863 346 HH12 ARG 46 2HH1 ARG 46 5.159 16.213 14.640 347 HH21 ARG 46 1HH2 ARG 46 2.565 14.232 15.887 348 HH22 ARG 46 2HH2 ARG 46 3.219 15.833 15.789 349 H PHE 47 H PHE 47 6.657 9.701 11.111 350 HA PHE 47 HA PHE 47 4.924 7.577 10.499 351 HB2 PHE 47 2HB PHE 47 6.836 9.064 8.686 352 HB3 PHE 47 1HB PHE 47 5.522 8.028 8.139 353 HD1 PHE 47 1HD PHE 47 6.341 11.194 9.828 354 HD2 PHE 47 2HD PHE 47 3.277 8.795 8.107 355 HE1 PHE 47 1HE PHE 47 4.807 13.117 9.889 356 HE2 PHE 47 2HE PHE 47 1.738 10.714 8.164 357 HZ PHE 47 HZ PHE 47 2.502 12.879 9.055 358 H GLN 48 H GLN 48 8.437 7.881 10.014 359 HA GLN 48 HA GLN 48 8.733 5.235 9.017 360 HB2 GLN 48 2HB GLN 48 10.315 7.446 9.018 361 HB3 GLN 48 1HB GLN 48 11.081 6.501 10.286 362 HG2 GLN 48 2HG GLN 48 11.076 4.577 8.608 363 HG3 GLN 48 1HG GLN 48 10.715 5.807 7.395 364 HE21 GLN 48 1HE2 GLN 48 12.953 5.259 10.098 365 HE22 GLN 48 2HE2 GLN 48 14.349 5.877 9.290 366 H GLN 49 H GLN 49 9.336 6.739 12.176 367 HA GLN 49 HA GLN 49 10.359 4.491 13.483 368 HB2 GLN 49 2HB GLN 49 9.959 7.073 14.186 369 HB3 GLN 49 1HB GLN 49 8.657 6.304 15.085 370 HG2 GLN 49 2HG GLN 49 10.575 6.474 16.497 371 HG3 GLN 49 1HG GLN 49 10.317 4.777 16.097 372 HE21 GLN 49 1HE2 GLN 49 11.755 3.737 14.708 373 HE22 GLN 49 2HE2 GLN 49 13.322 4.378 14.368 374 H ILE 50 H ILE 50 7.006 5.699 13.360 375 HA ILE 50 HA ILE 50 5.875 3.641 14.896 376 HB ILE 50 HB ILE 50 4.778 5.833 14.196 377 HG12 ILE 50 2HG1 ILE 50 3.649 3.933 15.383 378 HG13 ILE 50 1HG1 ILE 50 2.567 4.931 14.419 379 HG21 ILE 50 1HG2 ILE 50 5.163 5.644 11.793 380 HG22 ILE 50 2HG2 ILE 50 3.447 5.815 12.155 381 HG23 ILE 50 3HG2 ILE 50 4.105 4.235 11.729 382 HD11 ILE 50 3HD1 ILE 50 3.206 3.016 12.627 383 HD12 ILE 50 1HD1 ILE 50 1.808 2.953 13.699 384 HD13 ILE 50 2HD1 ILE 50 3.291 2.106 14.135 385 H TYR 51 H TYR 51 6.559 3.912 11.464 386 HA TYR 51 HA TYR 51 5.182 1.724 10.482 387 HB2 TYR 51 2HB TYR 51 6.274 3.315 9.013 388 HB3 TYR 51 1HB TYR 51 7.854 2.840 9.625 389 HD1 TYR 51 2HD TYR 51 4.968 0.736 8.549 390 HD2 TYR 51 1HD TYR 51 8.983 1.931 7.821 391 HE1 TYR 51 2HE TYR 51 5.143 -0.959 6.776 392 HE2 TYR 51 1HE TYR 51 9.170 0.243 6.048 393 HH TYR 51 HH TYR 51 7.368 -2.277 5.706 394 H TYR 52 H TYR 52 8.504 1.844 11.704 395 HA TYR 52 HA TYR 52 8.970 -0.939 11.434 396 HB2 TYR 52 2HB TYR 52 10.355 1.167 13.101 397 HB3 TYR 52 1HB TYR 52 10.926 -0.492 12.952 398 HD1 TYR 52 2HD TYR 52 11.222 -1.317 10.446 399 HD2 TYR 52 1HD TYR 52 11.234 2.757 11.677 400 HE1 TYR 52 2HE TYR 52 12.457 -0.711 8.409 401 HE2 TYR 52 1HE TYR 52 12.470 3.373 9.643 402 HH TYR 52 HH TYR 52 13.891 1.040 7.575 403 H ALA 53 H ALA 53 7.541 1.020 13.943 404 HA ALA 53 HA ALA 53 7.773 -0.879 16.037 405 HB1 ALA 53 1HB ALA 53 7.304 1.135 16.959 406 HB2 ALA 53 2HB ALA 53 5.646 0.546 16.819 407 HB3 ALA 53 3HB ALA 53 6.299 1.643 15.602 408 H TYR 54 H TYR 54 5.052 -0.009 13.923 409 HA TYR 54 HA TYR 54 3.493 -2.239 14.855 410 HB2 TYR 54 2HB TYR 54 1.712 -1.297 13.785 411 HB3 TYR 54 1HB TYR 54 2.727 0.129 13.934 412 HD1 TYR 54 2HD TYR 54 1.497 -2.452 11.600 413 HD2 TYR 54 1HD TYR 54 3.612 1.216 11.996 414 HE1 TYR 54 2HE TYR 54 1.356 -2.113 9.169 415 HE2 TYR 54 1HE TYR 54 3.469 1.566 9.567 416 HH TYR 54 HH TYR 54 3.168 -0.275 7.458 417 H ARG 55 H ARG 55 6.127 -2.301 13.011 418 HA ARG 55 HA ARG 55 5.506 -3.578 10.644 419 HB2 ARG 55 2HB ARG 55 7.745 -4.402 10.612 420 HB3 ARG 55 1HB ARG 55 7.784 -2.830 11.395 421 HG2 ARG 55 2HG ARG 55 7.768 -4.026 13.597 422 HG3 ARG 55 1HG ARG 55 7.973 -5.532 12.701 423 HD2 ARG 55 2HD ARG 55 10.068 -4.790 11.807 424 HD3 ARG 55 1HD ARG 55 9.842 -3.178 12.486 425 HE ARG 55 HE ARG 55 9.776 -4.753 14.670 426 HH11 ARG 55 1HH1 ARG 55 12.020 -4.515 12.007 427 HH12 ARG 55 2HH1 ARG 55 13.384 -5.008 12.952 428 HH21 ARG 55 1HH2 ARG 55 11.571 -5.400 15.913 429 HH22 ARG 55 2HH2 ARG 55 13.130 -5.512 15.167 430 H SER 56 H SER 56 4.262 -5.264 10.322 431 HA SER 56 HA SER 56 4.741 -7.849 11.087 432 HB2 SER 56 2HB SER 56 3.231 -6.331 13.144 433 HB3 SER 56 1HB SER 56 2.601 -7.927 12.735 434 HG SER 56 HG SER 56 4.069 -8.546 14.120 435 H VAL 57 H VAL 57 2.283 -5.424 10.507 436 HA VAL 57 HA VAL 57 0.625 -7.354 9.052 437 HB VAL 57 HB VAL 57 -1.007 -5.432 8.921 438 HG11 VAL 57 1HG1 VAL 57 -0.480 -5.814 11.804 439 HG12 VAL 57 2HG1 VAL 57 -0.673 -7.274 10.836 440 HG13 VAL 57 3HG1 VAL 57 -1.958 -6.067 10.874 441 HG21 VAL 57 3HG2 VAL 57 -0.450 -3.383 9.575 442 HG22 VAL 57 1HG2 VAL 57 1.207 -3.954 9.766 443 HG23 VAL 57 2HG2 VAL 57 0.105 -3.972 11.143 444 H TRP 58 H TRP 58 3.260 -5.919 8.221 445 HA TRP 58 HA TRP 58 2.788 -5.810 5.475 446 HB2 TRP 58 2HB TRP 58 1.629 -3.632 6.546 447 HB3 TRP 58 1HB TRP 58 3.264 -3.011 6.353 448 HD1 TRP 58 HD TRP 58 3.129 -1.495 4.299 449 HE1 TRP 58 1HE TRP 58 2.318 -1.756 1.870 450 HE3 TRP 58 3HE TRP 58 1.030 -6.143 4.643 451 HZ2 TRP 58 2HZ TRP 58 0.964 -3.680 0.309 452 HZ3 TRP 58 3HZ TRP 58 -0.003 -7.121 2.636 453 HH2 TRP 58 HH TRP 58 -0.035 -5.914 0.514 454 H HIS 59 H HIS 59 4.722 -5.870 4.420 455 HA HIS 59 HA HIS 59 7.064 -4.563 5.367 456 HB2 HIS 59 2HB HIS 59 6.723 -6.615 6.922 457 HB3 HIS 59 1HB HIS 59 7.270 -7.555 5.537 458 HD1 HIS 59 1HD HIS 59 9.591 -5.978 4.498 459 HD2 HIS 59 2HD HIS 59 8.862 -6.455 8.561 460 HE1 HIS 59 1HE HIS 59 11.804 -5.594 5.627 461 HE2 HIS 59 2HE HIS 59 11.358 -5.978 8.077 462 HA PRO 60 HA PRO 60 7.203 -5.886 0.945 463 HB2 PRO 60 2HB PRO 60 7.233 -3.463 -0.190 464 HB3 PRO 60 1HB PRO 60 5.726 -4.191 0.378 465 HG2 PRO 60 2HG PRO 60 7.412 -2.081 1.649 466 HG3 PRO 60 1HG PRO 60 5.648 -2.211 1.570 467 HD2 PRO 60 2HD PRO 60 7.209 -2.940 3.747 468 HD3 PRO 60 1HD PRO 60 5.556 -3.502 3.443 469 H ALA 61 H ALA 61 8.749 -4.352 -0.775 470 HA ALA 61 HA ALA 61 11.366 -5.068 0.005 471 HB1 ALA 61 1HB ALA 61 10.124 -3.739 -2.319 472 HB2 ALA 61 2HB ALA 61 11.269 -5.079 -2.251 473 HB3 ALA 61 3HB ALA 61 11.839 -3.421 -2.058 474 H ARG 62 H ARG 62 10.601 -1.783 -1.079 475 HA ARG 62 HA ARG 62 12.653 -0.583 0.400 476 HB2 ARG 62 2HB ARG 62 10.134 0.637 -0.736 477 HB3 ARG 62 1HB ARG 62 11.506 1.557 -0.134 478 HG2 ARG 62 2HG ARG 62 11.601 -0.391 -2.428 479 HG3 ARG 62 1HG ARG 62 11.491 1.364 -2.581 480 HD2 ARG 62 2HD ARG 62 13.629 1.622 -1.466 481 HD3 ARG 62 1HD ARG 62 13.732 -0.120 -1.212 482 HE ARG 62 HE ARG 62 14.413 -0.369 -3.386 483 HH11 ARG 62 1HH1 ARG 62 13.112 2.842 -2.961 484 HH12 ARG 62 2HH1 ARG 62 13.630 3.394 -4.517 485 HH21 ARG 62 1HH2 ARG 62 15.095 0.355 -5.435 486 HH22 ARG 62 2HH2 ARG 62 14.754 1.982 -5.924 487 H THR 63 H THR 63 9.438 -1.467 1.299 488 HA THR 63 HA THR 63 8.280 -1.351 3.232 489 HB THR 63 HB THR 63 9.469 -1.493 5.282 490 HG1 THR 63 1HG THR 63 11.357 -0.570 5.648 491 HG21 THR 63 3HG2 THR 63 10.249 -3.462 4.674 492 HG22 THR 63 1HG2 THR 63 11.743 -2.661 4.191 493 HG23 THR 63 2HG2 THR 63 10.462 -2.924 3.009 494 H VAL 64 H VAL 64 10.615 1.059 4.344 495 HA VAL 64 HA VAL 64 8.760 2.853 5.290 496 HB VAL 64 HB VAL 64 11.576 3.229 4.329 497 HG11 VAL 64 1HG1 VAL 64 11.481 5.562 5.219 498 HG12 VAL 64 2HG1 VAL 64 9.723 5.419 5.258 499 HG13 VAL 64 3HG1 VAL 64 10.583 5.322 3.721 500 HG21 VAL 64 3HG2 VAL 64 10.176 3.392 6.991 501 HG22 VAL 64 1HG2 VAL 64 11.864 3.839 6.744 502 HG23 VAL 64 2HG2 VAL 64 11.341 2.180 6.455 503 H SER 65 H SER 65 9.909 2.455 2.005 504 HA SER 65 HA SER 65 8.815 4.859 0.973 505 HB2 SER 65 2HB SER 65 10.561 3.296 -0.114 506 HB3 SER 65 1HB SER 65 9.174 2.346 -0.648 507 HG SER 65 HG SER 65 10.043 4.850 -1.471 508 H GLN 66 H GLN 66 7.604 1.572 1.340 509 HA GLN 66 HA GLN 66 5.178 1.957 -0.064 510 HB2 GLN 66 2HB GLN 66 6.401 -0.218 0.919 511 HB3 GLN 66 1HB GLN 66 5.244 0.051 2.215 512 HG2 GLN 66 2HG GLN 66 4.017 -1.321 0.888 513 HG3 GLN 66 1HG GLN 66 3.551 0.237 0.206 514 HE21 GLN 66 1HE2 GLN 66 3.131 -1.801 -1.380 515 HE22 GLN 66 2HE2 GLN 66 4.314 -1.913 -2.633 516 H LEU 67 H LEU 67 6.204 2.589 3.218 517 HA LEU 67 HA LEU 67 3.656 2.985 4.358 518 HB2 LEU 67 2HB LEU 67 5.880 2.687 5.557 519 HB3 LEU 67 1HB LEU 67 6.208 4.364 5.176 520 HG LEU 67 HG LEU 67 5.458 4.467 7.363 521 HD11 LEU 67 1HD1 LEU 67 3.356 5.582 7.362 522 HD12 LEU 67 2HD1 LEU 67 2.877 4.803 5.852 523 HD13 LEU 67 3HD1 LEU 67 4.188 5.986 5.861 524 HD21 LEU 67 3HD2 LEU 67 4.063 2.042 6.678 525 HD22 LEU 67 1HD2 LEU 67 3.017 3.143 7.575 526 HD23 LEU 67 2HD2 LEU 67 4.563 2.650 8.256 527 H TYR 68 H TYR 68 6.016 5.278 3.049 528 HA TYR 68 HA TYR 68 4.424 7.568 3.391 529 HB2 TYR 68 2HB TYR 68 6.791 6.879 1.697 530 HB3 TYR 68 1HB TYR 68 5.916 8.370 1.359 531 HD1 TYR 68 1HD TYR 68 6.276 6.990 4.757 532 HD2 TYR 68 2HD TYR 68 7.726 9.836 1.945 533 HE1 TYR 68 1HE TYR 68 7.521 8.121 6.551 534 HE2 TYR 68 2HE TYR 68 8.975 10.974 3.730 535 HH TYR 68 HH TYR 68 9.399 9.596 6.841 536 H ASP 69 H ASP 69 4.463 5.065 0.994 537 HA ASP 69 HA ASP 69 2.993 6.461 -0.989 538 HB2 ASP 69 2HB ASP 69 3.598 3.552 -0.517 539 HB3 ASP 69 1HB ASP 69 2.578 4.079 -1.853 540 H HIS 70 H HIS 70 2.013 4.020 1.416 541 HA HIS 70 HA HIS 70 -0.734 4.382 0.644 542 HB2 HIS 70 2HB HIS 70 -1.282 2.751 2.392 543 HB3 HIS 70 1HB HIS 70 -0.048 2.163 1.291 544 HD1 HIS 70 1HD HIS 70 1.491 0.761 2.550 545 HD2 HIS 70 2HD HIS 70 0.332 4.098 4.732 546 HE1 HIS 70 1HE HIS 70 2.724 0.594 4.726 547 HE2 HIS 70 2HE HIS 70 2.058 2.657 6.007 548 H TRP 71 H TRP 71 1.380 5.953 2.755 549 HA TRP 71 HA TRP 71 -0.735 6.893 4.510 550 HB2 TRP 71 2HB TRP 71 1.904 6.524 4.986 551 HB3 TRP 71 1HB TRP 71 1.907 8.234 4.569 552 HD1 TRP 71 HD TRP 71 1.176 5.890 7.379 553 HE1 TRP 71 1HE TRP 71 0.249 7.193 9.396 554 HE3 TRP 71 3HE TRP 71 0.302 10.388 5.110 555 HZ2 TRP 71 2HZ TRP 71 -0.726 9.784 9.951 556 HZ3 TRP 71 3HZ TRP 71 -0.629 12.226 6.455 557 HH2 TRP 71 HH TRP 71 -1.133 11.929 8.825 558 H ARG 72 H ARG 72 1.155 7.935 1.743 559 HA ARG 72 HA ARG 72 0.187 10.650 1.841 560 HB2 ARG 72 2HB ARG 72 2.382 9.926 0.804 561 HB3 ARG 72 1HB ARG 72 1.445 9.238 -0.516 562 HG2 ARG 72 2HG ARG 72 0.426 11.719 -0.485 563 HG3 ARG 72 1HG ARG 72 2.048 12.051 0.121 564 HD2 ARG 72 2HD ARG 72 2.753 12.026 -1.988 565 HD3 ARG 72 1HD ARG 72 2.417 10.296 -2.015 566 HE ARG 72 HE ARG 72 0.722 10.747 -3.458 567 HH11 ARG 72 1HH1 ARG 72 1.270 13.603 -1.528 568 HH12 ARG 72 2HH1 ARG 72 0.068 14.541 -2.348 569 HH21 ARG 72 1HH2 ARG 72 -0.860 11.981 -4.538 570 HH22 ARG 72 2HH2 ARG 72 -1.140 13.620 -4.058 571 H GLY 73 H GLY 73 -0.726 7.639 0.328 572 HA2 GLY 73 2HA GLY 73 -2.649 8.836 -1.456 573 HA3 GLY 73 1HA GLY 73 -2.430 7.119 -1.151 574 H THR 74 H THR 74 -2.757 7.138 1.654 575 HA THR 74 HA THR 74 -5.585 7.052 1.820 576 HB THR 74 HB THR 74 -3.489 6.943 3.998 577 HG1 THR 74 1HG THR 74 -3.446 5.247 2.422 578 HG21 THR 74 3HG2 THR 74 -6.405 6.217 4.111 579 HG22 THR 74 1HG2 THR 74 -5.586 7.477 5.034 580 HG23 THR 74 2HG2 THR 74 -5.207 5.781 5.329 581 H LEU 75 H LEU 75 -3.155 9.341 3.017 582 HA LEU 75 HA LEU 75 -4.834 10.973 4.533 583 HB2 LEU 75 2HB LEU 75 -2.244 10.994 4.189 584 HB3 LEU 75 1HB LEU 75 -2.604 12.134 2.907 585 HG LEU 75 HG LEU 75 -2.025 13.339 4.914 586 HD11 LEU 75 1HD1 LEU 75 -3.990 14.035 3.373 587 HD12 LEU 75 2HD1 LEU 75 -3.754 14.869 4.908 588 HD13 LEU 75 3HD1 LEU 75 -4.995 13.624 4.763 589 HD21 LEU 75 3HD2 LEU 75 -4.401 12.242 6.353 590 HD22 LEU 75 1HD2 LEU 75 -2.950 13.007 7.002 591 HD23 LEU 75 2HD2 LEU 75 -2.875 11.360 6.377 592 H ARG 76 H ARG 76 -4.209 10.931 1.068 593 HA ARG 76 HA ARG 76 -6.637 12.411 0.587 594 HB2 ARG 76 2HB ARG 76 -5.542 14.159 -0.781 595 HB3 ARG 76 1HB ARG 76 -5.113 14.264 0.921 596 HG2 ARG 76 2HG ARG 76 -2.941 13.805 0.544 597 HG3 ARG 76 1HG ARG 76 -3.298 12.662 -0.754 598 HD2 ARG 76 2HD ARG 76 -3.769 15.583 -1.172 599 HD3 ARG 76 1HD ARG 76 -2.134 14.936 -1.288 600 HE ARG 76 HE ARG 76 -3.746 13.323 -2.862 601 HH11 ARG 76 1HH1 ARG 76 -2.747 16.666 -2.781 602 HH12 ARG 76 2HH1 ARG 76 -2.865 16.873 -4.496 603 HH21 ARG 76 1HH2 ARG 76 -3.900 13.592 -5.118 604 HH22 ARG 76 2HH2 ARG 76 -3.519 15.128 -5.824 605 H TYR 77 H TYR 77 -7.525 11.924 -1.363 606 HA TYR 77 HA TYR 77 -5.936 10.838 -3.512 607 HB2 TYR 77 2HB TYR 77 -7.254 8.713 -3.626 608 HB3 TYR 77 1HB TYR 77 -6.189 8.819 -2.229 609 HD1 TYR 77 1HD TYR 77 -7.156 9.295 0.021 610 HD2 TYR 77 2HD TYR 77 -9.609 8.521 -3.369 611 HE1 TYR 77 1HE TYR 77 -9.059 8.834 1.510 612 HE2 TYR 77 2HE TYR 77 -11.518 8.059 -1.889 613 HH TYR 77 HH TYR 77 -11.467 8.786 1.460 614 H LYS 78 H LYS 78 -9.245 11.181 -2.246 615 HA LYS 78 HA LYS 78 -10.219 11.721 -4.947 616 HB2 LYS 78 2HB LYS 78 -11.421 10.158 -3.356 617 HB3 LYS 78 1HB LYS 78 -11.839 11.577 -2.405 618 HG2 LYS 78 2HG LYS 78 -13.647 11.786 -3.665 619 HG3 LYS 78 1HG LYS 78 -12.586 12.224 -5.006 620 HD2 LYS 78 2HD LYS 78 -12.384 9.531 -5.083 621 HD3 LYS 78 1HD LYS 78 -14.028 9.708 -4.467 622 HE2 LYS 78 2HE LYS 78 -14.437 11.313 -6.373 623 HE3 LYS 78 1HE LYS 78 -12.884 10.796 -7.030 624 HZ1 LYS 78 3HZ LYS 78 -15.221 9.628 -7.596 625 HZ2 LYS 78 1HZ LYS 78 -14.693 8.650 -6.320 626 HZ3 LYS 78 2HZ LYS 78 -13.727 8.842 -7.695 627 H VAL 79 H VAL 79 -10.485 13.718 -5.681 628 HA VAL 79 HA VAL 79 -10.929 15.894 -3.751 629 HB VAL 79 HB VAL 79 -9.145 16.157 -6.172 630 HG11 VAL 79 1HG1 VAL 79 -9.707 18.310 -5.783 631 HG12 VAL 79 2HG1 VAL 79 -8.475 18.178 -4.529 632 HG13 VAL 79 3HG1 VAL 79 -10.179 17.999 -4.113 633 HG21 VAL 79 3HG2 VAL 79 -8.515 15.474 -3.330 634 HG22 VAL 79 1HG2 VAL 79 -7.366 16.406 -4.291 635 HG23 VAL 79 2HG2 VAL 79 -7.855 14.796 -4.818 636 H ILE 80 H ILE 80 -12.853 16.743 -4.171 637 HA ILE 80 HA ILE 80 -13.730 16.934 -6.979 638 HB ILE 80 HB ILE 80 -16.058 17.043 -6.033 639 HG12 ILE 80 2HG1 ILE 80 -14.956 15.794 -3.542 640 HG13 ILE 80 1HG1 ILE 80 -15.030 17.548 -3.671 641 HG21 ILE 80 1HG2 ILE 80 -14.593 14.925 -6.798 642 HG22 ILE 80 2HG2 ILE 80 -16.287 14.816 -6.317 643 HG23 ILE 80 3HG2 ILE 80 -15.015 14.427 -5.159 644 HD11 ILE 80 3HD1 ILE 80 -17.331 15.620 -3.838 645 HD12 ILE 80 1HD1 ILE 80 -17.456 17.354 -4.130 646 HD13 ILE 80 2HD1 ILE 80 -16.982 16.760 -2.539 647 H GLN 81 H GLN 81 -14.423 18.869 -7.760 648 HA GLN 81 HA GLN 81 -13.980 21.193 -6.033 649 HB2 GLN 81 2HB GLN 81 -13.185 20.649 -8.623 650 HB3 GLN 81 1HB GLN 81 -14.552 21.731 -8.851 651 HG2 GLN 81 2HG GLN 81 -13.525 23.439 -7.565 652 HG3 GLN 81 1HG GLN 81 -12.253 22.347 -7.016 653 HE21 GLN 81 1HE2 GLN 81 -13.661 23.488 -10.071 654 HE22 GLN 81 2HE2 GLN 81 -12.151 23.725 -10.875 655 H GLN 82 H GLN 82 -16.442 19.570 -7.907 656 HA GLN 82 HA GLN 82 -18.372 21.682 -7.242 657 HB2 GLN 82 2HB GLN 82 -18.762 19.357 -9.129 658 HB3 GLN 82 1HB GLN 82 -19.788 20.775 -8.962 659 HG2 GLN 82 2HG GLN 82 -18.028 22.188 -9.841 660 HG3 GLN 82 1HG GLN 82 -16.945 20.801 -9.948 661 HE21 GLN 82 1HE2 GLN 82 -17.488 19.111 -11.439 662 HE22 GLN 82 2HE2 GLN 82 -18.415 19.466 -12.851 663 H GLN 83 H GLN 83 -20.592 20.913 -6.663 664 HA GLN 83 HA GLN 83 -20.386 18.645 -4.797 665 HB2 GLN 83 2HB GLN 83 -21.764 21.271 -4.678 666 HB3 GLN 83 1HB GLN 83 -22.602 19.906 -3.952 667 HG2 GLN 83 2HG GLN 83 -20.920 19.555 -2.377 668 HG3 GLN 83 1HG GLN 83 -19.748 20.513 -3.282 669 HE21 GLN 83 1HE2 GLN 83 -22.747 20.716 -1.441 670 HE22 GLN 83 2HE2 GLN 83 -22.509 22.334 -0.884 671 H GLY 84 H GLY 84 -22.396 17.400 -4.445 672 HA2 GLY 84 2HA GLY 84 -24.702 17.333 -5.806 673 HA3 GLY 84 1HA GLY 84 -23.576 16.735 -7.014 674 H TYR 85 H TYR 85 -25.650 15.856 -4.573 675 HA TYR 85 HA TYR 85 -24.425 13.186 -4.420 676 HB2 TYR 85 2HB TYR 85 -25.149 12.987 -2.092 677 HB3 TYR 85 1HB TYR 85 -24.067 14.363 -2.288 678 HD1 TYR 85 1HD TYR 85 -25.313 16.660 -2.771 679 HD2 TYR 85 2HD TYR 85 -27.080 13.291 -0.866 680 HE1 TYR 85 1HE TYR 85 -26.990 18.131 -1.739 681 HE2 TYR 85 2HE TYR 85 -28.764 14.754 0.171 682 HH TYR 85 HH TYR 85 -29.054 17.091 0.772 683 H ARG 86 H ARG 86 -25.724 11.937 -5.606 684 HA ARG 86 HA ARG 86 -28.402 11.452 -4.793 685 HB2 ARG 86 2HB ARG 86 -28.807 13.525 -6.032 686 HB3 ARG 86 1HB ARG 86 -28.015 12.848 -7.448 687 HG2 ARG 86 2HG ARG 86 -29.848 11.757 -8.088 688 HG3 ARG 86 1HG ARG 86 -30.179 11.175 -6.453 689 HD2 ARG 86 2HD ARG 86 -31.488 12.979 -5.928 690 HD3 ARG 86 1HD ARG 86 -30.656 14.048 -7.054 691 HE ARG 86 HE ARG 86 -31.896 12.299 -8.692 692 HH11 ARG 86 1HH1 ARG 86 -33.016 14.255 -6.026 693 HH12 ARG 86 2HH1 ARG 86 -34.618 14.428 -6.662 694 HH21 ARG 86 1HH2 ARG 86 -34.002 12.527 -9.530 695 HH22 ARG 86 2HH2 ARG 86 -35.177 13.447 -8.651 696 H GLY 87 H GLY 87 -29.124 9.492 -5.511 697 HA2 GLY 87 2HA GLY 87 -28.246 8.201 -7.862 698 HA3 GLY 87 1HA GLY 87 -27.278 7.645 -6.507 699 H LYS 88 H LYS 88 -28.789 5.851 -7.891 700 HA LYS 88 HA LYS 88 -30.379 4.715 -5.835 701 HB2 LYS 88 2HB LYS 88 -32.557 4.755 -6.951 702 HB3 LYS 88 1HB LYS 88 -32.003 6.384 -6.591 703 HG2 LYS 88 2HG LYS 88 -31.043 6.066 -9.102 704 HG3 LYS 88 1HG LYS 88 -32.511 5.089 -9.172 705 HD2 LYS 88 2HD LYS 88 -33.867 6.888 -9.006 706 HD3 LYS 88 1HD LYS 88 -32.800 7.714 -7.869 707 HE2 LYS 88 2HE LYS 88 -31.410 8.513 -9.604 708 HE3 LYS 88 1HE LYS 88 -32.139 7.429 -10.788 709 HZ1 LYS 88 3HZ LYS 88 -33.473 9.736 -9.478 710 HZ2 LYS 88 1HZ LYS 88 -34.215 8.674 -10.566 711 HZ3 LYS 88 2HZ LYS 88 -32.948 9.668 -11.084 712 H ASN 89 H ASN 89 -30.713 2.553 -6.168 713 HA ASN 89 HA ASN 89 -29.920 1.483 -8.797 714 HB2 ASN 89 2HB ASN 89 -29.172 0.499 -6.044 715 HB3 ASN 89 1HB ASN 89 -29.008 -0.497 -7.486 716 HD21 ASN 89 1HD2 ASN 89 -27.018 -0.543 -8.203 717 HD22 ASN 89 2HD2 ASN 89 -25.891 0.766 -8.185 718 H SER 90 H SER 90 -31.747 0.883 -5.819 719 HA SER 90 HA SER 90 -33.428 -1.025 -7.301 720 HB2 SER 90 2HB SER 90 -32.575 -0.826 -4.460 721 HB3 SER 90 1HB SER 90 -34.209 -1.418 -4.762 722 HG SER 90 HG SER 90 -31.933 -2.462 -6.084 723 H VAL 91 H VAL 91 -33.592 1.666 -4.987 724 HA VAL 91 HA VAL 91 -35.796 2.878 -6.259 725 HB VAL 91 HB VAL 91 -37.043 0.980 -5.323 726 HG11 VAL 91 1HG1 VAL 91 -37.286 0.698 -2.920 727 HG12 VAL 91 2HG1 VAL 91 -36.162 2.027 -2.635 728 HG13 VAL 91 3HG1 VAL 91 -35.595 0.539 -3.394 729 HG21 VAL 91 3HG2 VAL 91 -37.987 3.167 -3.588 730 HG22 VAL 91 1HG2 VAL 91 -38.840 2.250 -4.830 731 HG23 VAL 91 2HG2 VAL 91 -37.773 3.577 -5.291 732 H ALA 92 H ALA 92 -34.089 2.389 -3.203 733 HA ALA 92 HA ALA 92 -33.206 3.845 -1.697 734 HB1 ALA 92 1HB ALA 92 -33.650 5.860 -3.897 735 HB2 ALA 92 2HB ALA 92 -32.179 4.934 -3.596 736 HB3 ALA 92 3HB ALA 92 -32.714 6.145 -2.431 737 H ALA 93 H ALA 93 -35.506 6.063 -3.257 738 HA ALA 93 HA ALA 93 -37.305 7.205 -2.460 739 HB1 ALA 93 1HB ALA 93 -37.476 4.574 -1.158 740 HB2 ALA 93 2HB ALA 93 -38.690 5.475 -2.068 741 HB3 ALA 93 3HB ALA 93 -38.390 5.862 -0.374 742 H ARG 94 H ARG 94 -36.361 9.027 -1.656 743 HA ARG 94 HA ARG 94 -35.566 8.993 1.178 744 HB2 ARG 94 2HB ARG 94 -34.094 9.832 -0.961 745 HB3 ARG 94 1HB ARG 94 -34.826 11.343 -0.433 746 HG2 ARG 94 2HG ARG 94 -33.569 11.451 1.418 747 HG3 ARG 94 1HG ARG 94 -33.695 9.718 1.728 748 HD2 ARG 94 2HD ARG 94 -31.794 9.249 0.608 749 HD3 ARG 94 1HD ARG 94 -32.098 10.468 -0.627 750 HE ARG 94 HE ARG 94 -31.390 11.575 1.926 751 HH11 ARG 94 1HH1 ARG 94 -30.148 10.279 -1.066 752 HH12 ARG 94 2HH1 ARG 94 -28.633 11.110 -0.942 753 HH21 ARG 94 1HH2 ARG 94 -29.399 12.669 2.091 754 HH22 ARG 94 2HH2 ARG 94 -28.209 12.466 0.850 755 H SER 95 H SER 95 -37.830 10.240 -1.079 756 HA SER 95 HA SER 95 -39.648 11.585 -0.858 757 HB2 SER 95 2HB SER 95 -39.089 11.349 2.110 758 HB3 SER 95 1HB SER 95 -40.588 11.930 1.385 759 HG SER 95 HG SER 95 -41.006 9.908 0.621 760 HA PRO 96 HA PRO 96 -36.732 15.210 -0.649 761 HB2 PRO 96 2HB PRO 96 -38.575 15.987 -2.849 762 HB3 PRO 96 1HB PRO 96 -36.813 16.086 -2.769 763 HG2 PRO 96 2HG PRO 96 -38.004 14.210 -4.236 764 HG3 PRO 96 1HG PRO 96 -36.530 13.850 -3.317 765 HD2 PRO 96 2HD PRO 96 -39.367 13.139 -2.705 766 HD3 PRO 96 1HD PRO 96 -37.886 12.195 -2.448 767 H GLU 97 H GLU 97 -37.735 17.661 -1.156 768 HA GLU 97 HA GLU 97 -40.273 17.982 0.222 769 HB2 GLU 97 2HB GLU 97 -37.664 19.047 1.312 770 HB3 GLU 97 1HB GLU 97 -39.239 19.646 1.815 771 HG2 GLU 97 2HG GLU 97 -39.837 17.500 2.704 772 HG3 GLU 97 1HG GLU 97 -38.360 16.781 2.062 773 H LYS 98 H LYS 98 -41.396 19.604 -0.645 774 HA LYS 98 HA LYS 98 -40.140 21.995 -1.624 775 HB2 LYS 98 2HB LYS 98 -40.008 20.106 -3.455 776 HB3 LYS 98 1HB LYS 98 -41.697 20.523 -3.710 777 HG2 LYS 98 2HG LYS 98 -41.206 22.517 -4.648 778 HG3 LYS 98 1HG LYS 98 -39.793 22.775 -3.622 779 HD2 LYS 98 2HD LYS 98 -38.647 20.964 -4.963 780 HD3 LYS 98 1HD LYS 98 -40.008 21.052 -6.083 781 HE2 LYS 98 2HE LYS 98 -39.502 23.568 -6.183 782 HE3 LYS 98 1HE LYS 98 -37.957 23.148 -5.445 783 HZ1 LYS 98 3HZ LYS 98 -37.387 22.985 -7.618 784 HZ2 LYS 98 1HZ LYS 98 -38.947 22.579 -8.133 785 HZ3 LYS 98 2HZ LYS 98 -37.963 21.409 -7.411 786 H ALA 99 H ALA 99 -41.896 21.869 0.365 787 HA ALA 99 HA ALA 99 -44.105 23.407 -0.630 788 HB1 ALA 99 1HB ALA 99 -44.800 20.849 0.800 789 HB2 ALA 99 2HB ALA 99 -44.855 21.032 -0.953 790 HB3 ALA 99 3HB ALA 99 -45.902 22.014 0.070 791 H SER 100 H SER 100 -44.795 24.831 0.868 792 HA SER 100 HA SER 100 -43.425 24.892 3.405 793 HB2 SER 100 2HB SER 100 -44.033 26.897 1.856 794 HB3 SER 100 1HB SER 100 -45.615 26.798 2.629 795 HG SER 100 HG SER 100 -43.210 26.940 4.111 796 H ASN 101 H ASN 101 -44.132 23.640 5.005 797 HA ASN 101 HA ASN 101 -47.011 23.656 5.603 798 HB2 ASN 101 2HB ASN 101 -45.680 21.445 4.619 799 HB3 ASN 101 1HB ASN 101 -45.664 21.171 6.358 800 HD21 ASN 101 1HD2 ASN 101 -47.444 20.421 7.304 801 HD22 ASN 101 2HD2 ASN 101 -48.982 20.247 6.538 802 H MET 102 H MET 102 -46.965 24.974 7.350 803 HA MET 102 HA MET 102 -45.728 23.933 9.754 804 HB2 MET 102 2HB MET 102 -44.492 26.029 8.265 805 HB3 MET 102 1HB MET 102 -45.115 26.717 9.758 806 HG2 MET 102 2HG MET 102 -43.852 25.191 11.079 807 HG3 MET 102 1HG MET 102 -43.381 24.266 9.654 808 HE1 MET 102 3HE MET 102 -40.852 24.285 9.957 809 HE2 MET 102 1HE MET 102 -39.993 25.566 9.100 810 HE3 MET 102 2HE MET 102 -41.294 24.686 8.298 811 H GLU 103 H GLU 103 -46.801 24.508 11.599 812 HA GLU 103 HA GLU 103 -49.198 26.171 11.219 813 HB2 GLU 103 2HB GLU 103 -48.679 23.662 12.668 814 HB3 GLU 103 1HB GLU 103 -49.640 24.833 13.558 815 HG2 GLU 103 2HG GLU 103 -50.935 24.949 11.245 816 HG3 GLU 103 1HG GLU 103 -50.288 23.314 11.104 817 H ASN 104 H ASN 104 -46.314 25.722 13.110 818 HA ASN 104 HA ASN 104 -45.284 27.007 14.677 819 HB2 ASN 104 2HB ASN 104 -47.204 29.092 13.625 820 HB3 ASN 104 1HB ASN 104 -45.888 29.435 14.742 821 HD21 ASN 104 1HD2 ASN 104 -43.748 28.323 13.904 822 HD22 ASN 104 2HD2 ASN 104 -43.358 28.713 12.268 823 H ASN 105 H ASN 105 -45.742 26.116 16.607 824 HA ASN 105 HA ASN 105 -47.821 27.360 18.204 825 HB2 ASN 105 2HB ASN 105 -48.413 24.972 16.946 826 HB3 ASN 105 1HB ASN 105 -47.890 24.453 18.546 827 HD21 ASN 105 1HD2 ASN 105 -49.849 23.844 19.315 828 HD22 ASN 105 2HD2 ASN 105 -51.158 24.937 19.592 829 H GLU 106 H GLU 106 -47.707 26.560 20.515 830 HA GLU 106 HA GLU 106 -46.515 26.312 22.436 831 HB2 GLU 106 2HB GLU 106 -44.609 24.640 20.795 832 HB3 GLU 106 1HB GLU 106 -44.859 24.573 22.534 833 HG2 GLU 106 2HG GLU 106 -47.006 23.608 22.280 834 HG3 GLU 106 1HG GLU 106 -47.015 23.928 20.547 Start of MODEL 20 1 H1 GLY 1 1HT GLY 1 -23.221 -23.645 42.142 2 H2 GLY 1 2HT GLY 1 -24.022 -23.229 43.571 3 H3 GLY 1 3HT GLY 1 -24.547 -24.556 42.665 4 HA2 GLY 1 1HA GLY 1 -23.385 -25.666 44.249 5 HA3 GLY 1 2HA GLY 1 -22.118 -25.395 43.060 6 HA PRO 2 HA PRO 2 -20.499 -24.063 47.236 7 HB2 PRO 2 2HB PRO 2 -18.029 -24.639 45.670 8 HB3 PRO 2 1HB PRO 2 -18.421 -25.052 47.343 9 HG2 PRO 2 2HG PRO 2 -18.494 -26.909 45.440 10 HG3 PRO 2 1HG PRO 2 -19.711 -26.881 46.729 11 HD2 PRO 2 2HD PRO 2 -19.950 -26.037 43.877 12 HD3 PRO 2 1HD PRO 2 -21.151 -26.808 44.933 13 H GLY 3 H GLY 3 -19.300 -23.288 43.977 14 HA2 GLY 3 2HA GLY 3 -19.025 -20.483 44.862 15 HA3 GLY 3 1HA GLY 3 -17.807 -21.250 43.854 16 H SER 4 H SER 4 -18.936 -18.935 43.005 17 HA SER 4 HA SER 4 -20.311 -19.825 40.599 18 HB2 SER 4 2HB SER 4 -21.454 -17.587 42.284 19 HB3 SER 4 1HB SER 4 -22.123 -18.240 40.789 20 HG SER 4 HG SER 4 -22.531 -20.175 41.862 21 H LEU 5 H LEU 5 -20.291 -18.233 38.891 22 HA LEU 5 HA LEU 5 -18.103 -16.291 39.224 23 HB2 LEU 5 2HB LEU 5 -17.734 -16.488 36.823 24 HB3 LEU 5 1HB LEU 5 -17.609 -18.048 37.614 25 HG LEU 5 HG LEU 5 -20.241 -17.320 36.439 26 HD11 LEU 5 1HD1 LEU 5 -19.256 -18.439 34.285 27 HD12 LEU 5 2HD1 LEU 5 -17.740 -17.766 34.885 28 HD13 LEU 5 3HD1 LEU 5 -19.104 -16.701 34.547 29 HD21 LEU 5 3HD2 LEU 5 -18.698 -19.732 37.155 30 HD22 LEU 5 1HD2 LEU 5 -19.722 -19.854 35.724 31 HD23 LEU 5 2HD2 LEU 5 -20.427 -19.408 37.279 32 H SER 6 H SER 6 -18.298 -14.494 37.442 33 HA SER 6 HA SER 6 -20.970 -13.326 37.770 34 HB2 SER 6 2HB SER 6 -19.604 -11.224 36.932 35 HB3 SER 6 1HB SER 6 -19.499 -11.753 38.610 36 HG SER 6 HG SER 6 -17.448 -11.339 37.513 37 H ASN 7 H ASN 7 -21.524 -11.738 35.907 38 HA ASN 7 HA ASN 7 -20.654 -12.601 33.289 39 HB2 ASN 7 2HB ASN 7 -22.962 -13.774 34.471 40 HB3 ASN 7 1HB ASN 7 -23.509 -12.707 33.182 41 HD21 ASN 7 1HD2 ASN 7 -21.793 -12.898 31.233 42 HD22 ASN 7 2HD2 ASN 7 -21.598 -14.524 30.680 43 H PHE 8 H PHE 8 -20.633 -10.145 34.844 44 HA PHE 8 HA PHE 8 -22.234 -8.457 33.038 45 HB2 PHE 8 2HB PHE 8 -22.830 -8.621 35.618 46 HB3 PHE 8 1HB PHE 8 -21.513 -7.463 35.758 47 HD1 PHE 8 1HD PHE 8 -24.244 -7.894 33.253 48 HD2 PHE 8 2HD PHE 8 -22.370 -5.368 36.120 49 HE1 PHE 8 1HE PHE 8 -25.784 -6.073 32.650 50 HE2 PHE 8 2HE PHE 8 -23.907 -3.542 35.523 51 HZ PHE 8 HZ PHE 8 -25.618 -3.894 33.786 52 H ALA 9 H ALA 9 -19.478 -9.397 32.774 53 HA ALA 9 HA ALA 9 -18.260 -6.999 31.959 54 HB1 ALA 9 1HB ALA 9 -17.643 -6.303 34.034 55 HB2 ALA 9 2HB ALA 9 -16.274 -7.359 33.687 56 HB3 ALA 9 3HB ALA 9 -17.603 -7.938 34.693 57 H ASN 10 H ASN 10 -18.759 -9.594 30.918 58 HA ASN 10 HA ASN 10 -16.007 -10.381 30.269 59 HB2 ASN 10 2HB ASN 10 -17.301 -11.943 31.932 60 HB3 ASN 10 1HB ASN 10 -18.135 -12.483 30.479 61 HD21 ASN 10 1HD2 ASN 10 -15.081 -12.322 32.141 62 HD22 ASN 10 2HD2 ASN 10 -14.275 -13.520 31.192 63 H VAL 11 H VAL 11 -19.424 -10.848 29.375 64 HA VAL 11 HA VAL 11 -18.604 -10.973 26.555 65 HB VAL 11 HB VAL 11 -21.300 -11.693 27.702 66 HG11 VAL 11 1HG1 VAL 11 -20.014 -11.959 25.011 67 HG12 VAL 11 2HG1 VAL 11 -21.601 -11.314 25.430 68 HG13 VAL 11 3HG1 VAL 11 -21.307 -13.051 25.505 69 HG21 VAL 11 3HG2 VAL 11 -20.629 -14.003 27.635 70 HG22 VAL 11 1HG2 VAL 11 -19.482 -13.107 28.628 71 HG23 VAL 11 2HG2 VAL 11 -19.050 -13.567 26.981 72 H GLY 12 H GLY 12 -20.545 -9.193 28.852 73 HA2 GLY 12 2HA GLY 12 -21.184 -7.260 26.708 74 HA3 GLY 12 1HA GLY 12 -22.323 -7.654 27.987 75 H VAL 13 H VAL 13 -19.827 -5.602 27.008 76 HA VAL 13 HA VAL 13 -19.697 -4.433 29.709 77 HB VAL 13 HB VAL 13 -17.391 -3.601 29.047 78 HG11 VAL 13 1HG1 VAL 13 -17.848 -6.559 29.422 79 HG12 VAL 13 2HG1 VAL 13 -17.664 -5.345 30.688 80 HG13 VAL 13 3HG1 VAL 13 -16.301 -5.741 29.643 81 HG21 VAL 13 3HG2 VAL 13 -17.830 -5.641 26.878 82 HG22 VAL 13 1HG2 VAL 13 -16.230 -5.093 27.374 83 HG23 VAL 13 2HG2 VAL 13 -17.386 -3.945 26.701 84 H GLY 14 H GLY 14 -18.870 -2.083 29.576 85 HA2 GLY 14 2HA GLY 14 -19.177 0.071 28.841 86 HA3 GLY 14 1HA GLY 14 -19.282 -0.581 27.213 87 H THR 15 H THR 15 -20.818 1.563 27.902 88 HA THR 15 HA THR 15 -23.467 0.606 28.620 89 HB THR 15 HB THR 15 -22.758 3.400 27.742 90 HG1 THR 15 1HG THR 15 -21.484 3.409 29.409 91 HG21 THR 15 3HG2 THR 15 -24.984 2.176 29.293 92 HG22 THR 15 1HG2 THR 15 -25.035 3.380 28.005 93 HG23 THR 15 2HG2 THR 15 -24.497 3.839 29.622 94 H SER 16 H SER 16 -22.090 2.467 25.901 95 HA SER 16 HA SER 16 -24.193 1.321 24.185 96 HB2 SER 16 2HB SER 16 -22.668 3.871 23.640 97 HB3 SER 16 1HB SER 16 -24.141 3.301 22.854 98 HG SER 16 HG SER 16 -24.594 4.901 24.411 99 H SER 17 H SER 17 -20.771 2.089 24.453 100 HA SER 17 HA SER 17 -19.956 1.361 21.878 101 HB2 SER 17 2HB SER 17 -18.364 1.008 24.428 102 HB3 SER 17 1HB SER 17 -17.723 1.183 22.794 103 HG SER 17 HG SER 17 -18.493 3.295 22.757 104 H GLY 18 H GLY 18 -19.554 -0.540 20.892 105 HA2 GLY 18 2HA GLY 18 -19.189 -2.986 22.364 106 HA3 GLY 18 1HA GLY 18 -20.754 -2.888 21.573 107 H LYS 19 H LYS 19 -18.499 -4.716 21.098 108 HA LYS 19 HA LYS 19 -17.881 -4.006 18.306 109 HB2 LYS 19 2HB LYS 19 -16.344 -5.421 20.423 110 HB3 LYS 19 1HB LYS 19 -16.136 -5.976 18.768 111 HG2 LYS 19 2HG LYS 19 -15.623 -3.587 18.155 112 HG3 LYS 19 1HG LYS 19 -15.571 -3.244 19.884 113 HD2 LYS 19 2HD LYS 19 -13.630 -4.406 20.195 114 HD3 LYS 19 1HD LYS 19 -13.968 -5.534 18.882 115 HE2 LYS 19 2HE LYS 19 -12.384 -4.359 17.797 116 HE3 LYS 19 1HE LYS 19 -13.705 -3.230 17.497 117 HZ1 LYS 19 3HZ LYS 19 -11.895 -3.031 19.837 118 HZ2 LYS 19 1HZ LYS 19 -13.009 -1.879 19.295 119 HZ3 LYS 19 2HZ LYS 19 -11.626 -2.211 18.382 120 H GLN 20 H GLN 20 -17.371 -6.173 17.034 121 HA GLN 20 HA GLN 20 -19.286 -8.271 17.687 122 HB2 GLN 20 2HB GLN 20 -19.522 -6.390 15.394 123 HB3 GLN 20 1HB GLN 20 -19.897 -8.081 15.093 124 HG2 GLN 20 2HG GLN 20 -21.138 -6.962 17.499 125 HG3 GLN 20 1HG GLN 20 -21.668 -6.236 15.982 126 HE21 GLN 20 1HE2 GLN 20 -20.945 -9.475 17.256 127 HE22 GLN 20 2HE2 GLN 20 -22.346 -10.234 16.591 128 H LYS 21 H LYS 21 -19.192 -9.883 15.609 129 HA LYS 21 HA LYS 21 -16.565 -10.948 15.679 130 HB2 LYS 21 2HB LYS 21 -19.021 -11.986 15.153 131 HB3 LYS 21 1HB LYS 21 -18.360 -11.877 13.528 132 HG2 LYS 21 2HG LYS 21 -16.278 -12.995 14.855 133 HG3 LYS 21 1HG LYS 21 -17.651 -13.665 15.739 134 HD2 LYS 21 2HD LYS 21 -17.669 -15.212 14.110 135 HD3 LYS 21 1HD LYS 21 -18.472 -13.960 13.160 136 HE2 LYS 21 2HE LYS 21 -16.681 -13.643 11.836 137 HE3 LYS 21 1HE LYS 21 -15.540 -13.805 13.172 138 HZ1 LYS 21 3HZ LYS 21 -15.766 -15.604 11.253 139 HZ2 LYS 21 1HZ LYS 21 -16.914 -16.230 12.326 140 HZ3 LYS 21 2HZ LYS 21 -15.315 -16.013 12.831 141 H ARG 22 H ARG 22 -15.882 -11.818 13.244 142 HA ARG 22 HA ARG 22 -14.771 -11.249 11.345 143 HB2 ARG 22 2HB ARG 22 -17.141 -9.451 11.319 144 HB3 ARG 22 1HB ARG 22 -15.839 -9.088 10.195 145 HG2 ARG 22 2HG ARG 22 -16.009 -11.342 9.265 146 HG3 ARG 22 1HG ARG 22 -17.317 -11.705 10.394 147 HD2 ARG 22 2HD ARG 22 -18.319 -9.486 9.309 148 HD3 ARG 22 1HD ARG 22 -17.314 -10.011 7.959 149 HE ARG 22 HE ARG 22 -18.956 -12.109 9.012 150 HH11 ARG 22 1HH1 ARG 22 -18.897 -9.371 6.850 151 HH12 ARG 22 2HH1 ARG 22 -20.189 -9.965 5.860 152 HH21 ARG 22 1HH2 ARG 22 -20.655 -12.893 7.711 153 HH22 ARG 22 2HH2 ARG 22 -21.186 -11.965 6.348 154 H TYR 23 H TYR 23 -13.517 -9.421 10.266 155 HA TYR 23 HA TYR 23 -12.736 -7.307 12.123 156 HB2 TYR 23 2HB TYR 23 -10.294 -7.876 11.615 157 HB3 TYR 23 1HB TYR 23 -11.138 -8.932 12.741 158 HD1 TYR 23 1HD TYR 23 -12.248 -11.055 11.661 159 HD2 TYR 23 2HD TYR 23 -9.107 -8.818 9.868 160 HE1 TYR 23 1HE TYR 23 -11.659 -13.003 10.279 161 HE2 TYR 23 2HE TYR 23 -8.510 -10.758 8.479 162 HH TYR 23 HH TYR 23 -8.762 -13.152 8.451 163 H LYS 24 H LYS 24 -13.012 -5.520 10.958 164 HA LYS 24 HA LYS 24 -12.664 -5.554 8.082 165 HB2 LYS 24 2HB LYS 24 -13.895 -3.746 10.066 166 HB3 LYS 24 1HB LYS 24 -13.176 -2.954 8.671 167 HG2 LYS 24 2HG LYS 24 -14.552 -4.281 7.176 168 HG3 LYS 24 1HG LYS 24 -15.238 -5.146 8.553 169 HD2 LYS 24 2HD LYS 24 -16.863 -3.596 8.426 170 HD3 LYS 24 1HD LYS 24 -15.703 -2.567 9.268 171 HE2 LYS 24 2HE LYS 24 -15.333 -2.621 6.370 172 HE3 LYS 24 1HE LYS 24 -16.905 -1.998 6.867 173 HZ1 LYS 24 3HZ LYS 24 -15.739 -0.092 7.019 174 HZ2 LYS 24 1HZ LYS 24 -14.255 -0.868 7.257 175 HZ3 LYS 24 2HZ LYS 24 -15.332 -0.690 8.548 176 H PHE 25 H PHE 25 -11.685 -2.849 10.128 177 HA PHE 25 HA PHE 25 -9.758 -1.658 10.249 178 HB2 PHE 25 2HB PHE 25 -8.853 -4.471 9.991 179 HB3 PHE 25 1HB PHE 25 -7.645 -3.209 9.778 180 HD1 PHE 25 2HD PHE 25 -10.538 -3.675 12.089 181 HD2 PHE 25 1HD PHE 25 -6.364 -2.961 11.667 182 HE1 PHE 25 2HE PHE 25 -10.327 -3.485 14.533 183 HE2 PHE 25 1HE PHE 25 -6.146 -2.770 14.110 184 HZ PHE 25 HZ PHE 25 -8.129 -3.032 15.546 185 H SER 26 H SER 26 -8.556 -0.343 8.882 186 HA SER 26 HA SER 26 -9.100 -0.524 6.100 187 HB2 SER 26 2HB SER 26 -7.132 1.286 6.134 188 HB3 SER 26 1HB SER 26 -8.763 1.677 6.678 189 HG SER 26 HG SER 26 -6.773 0.712 8.441 190 H ALA 27 H ALA 27 -8.293 -2.820 6.065 191 HA ALA 27 HA ALA 27 -6.854 -4.249 5.020 192 HB1 ALA 27 1HB ALA 27 -5.353 -3.394 3.618 193 HB2 ALA 27 2HB ALA 27 -4.477 -2.588 4.919 194 HB3 ALA 27 3HB ALA 27 -5.881 -1.811 4.188 195 H SER 28 H SER 28 -6.564 -2.847 7.988 196 HA SER 28 HA SER 28 -5.760 -3.674 9.947 197 HB2 SER 28 2HB SER 28 -5.795 -5.931 8.597 198 HB3 SER 28 1HB SER 28 -4.046 -5.717 8.584 199 HG SER 28 HG SER 28 -5.718 -6.407 10.645 200 H GLU 29 H GLU 29 -3.594 -3.079 7.284 201 HA GLU 29 HA GLU 29 -1.334 -2.618 9.028 202 HB2 GLU 29 2HB GLU 29 -0.146 -1.964 6.981 203 HB3 GLU 29 1HB GLU 29 -0.933 -3.523 6.793 204 HG2 GLU 29 2HG GLU 29 -1.571 -2.631 4.834 205 HG3 GLU 29 1HG GLU 29 -2.859 -1.947 5.821 206 H ASP 30 H ASP 30 -3.592 -0.734 7.077 207 HA ASP 30 HA ASP 30 -2.507 1.804 7.646 208 HB2 ASP 30 2HB ASP 30 -4.199 1.173 5.828 209 HB3 ASP 30 1HB ASP 30 -5.421 1.263 7.092 210 H GLU 31 H GLU 31 -4.682 -0.317 9.380 211 HA GLU 31 HA GLU 31 -5.651 1.645 11.201 212 HB2 GLU 31 2HB GLU 31 -5.899 -1.235 10.819 213 HB3 GLU 31 1HB GLU 31 -5.822 -0.791 12.518 214 HG2 GLU 31 2HG GLU 31 -7.661 0.701 10.716 215 HG3 GLU 31 1HG GLU 31 -8.108 -0.915 11.262 216 H ALA 32 H ALA 32 -2.817 -0.369 11.055 217 HA ALA 32 HA ALA 32 -2.084 0.016 13.797 218 HB1 ALA 32 1HB ALA 32 -1.075 -1.887 13.070 219 HB2 ALA 32 2HB ALA 32 0.227 -0.754 12.709 220 HB3 ALA 32 3HB ALA 32 -0.866 -1.279 11.428 221 H ILE 33 H ILE 33 -1.294 1.557 10.726 222 HA ILE 33 HA ILE 33 0.742 3.222 11.838 223 HB ILE 33 HB ILE 33 -0.764 4.024 9.381 224 HG12 ILE 33 2HG1 ILE 33 1.201 1.745 9.631 225 HG13 ILE 33 1HG1 ILE 33 -0.420 1.705 8.951 226 HG21 ILE 33 1HG2 ILE 33 1.022 5.321 8.970 227 HG22 ILE 33 2HG2 ILE 33 2.167 4.086 9.493 228 HG23 ILE 33 3HG2 ILE 33 1.355 5.098 10.687 229 HD11 ILE 33 3HD1 ILE 33 1.409 1.621 7.275 230 HD12 ILE 33 1HD1 ILE 33 1.852 3.260 7.749 231 HD13 ILE 33 2HD1 ILE 33 0.269 2.943 7.041 232 H ILE 34 H ILE 34 -2.712 3.618 11.203 233 HA ILE 34 HA ILE 34 -2.800 6.369 11.881 234 HB ILE 34 HB ILE 34 -5.233 6.069 12.140 235 HG12 ILE 34 2HG1 ILE 34 -5.973 3.658 11.324 236 HG13 ILE 34 1HG1 ILE 34 -4.439 3.197 12.049 237 HG21 ILE 34 1HG2 ILE 34 -5.471 6.188 9.926 238 HG22 ILE 34 2HG2 ILE 34 -4.855 4.553 9.684 239 HG23 ILE 34 3HG2 ILE 34 -3.731 5.903 9.842 240 HD11 ILE 34 3HD1 ILE 34 -6.954 3.844 13.301 241 HD12 ILE 34 1HD1 ILE 34 -5.631 4.810 13.955 242 HD13 ILE 34 2HD1 ILE 34 -5.530 3.049 13.972 243 H LYS 35 H LYS 35 -3.194 3.395 13.737 244 HA LYS 35 HA LYS 35 -3.911 4.743 16.163 245 HB2 LYS 35 2HB LYS 35 -4.171 2.194 15.365 246 HB3 LYS 35 1HB LYS 35 -2.666 2.044 16.261 247 HG2 LYS 35 2HG LYS 35 -3.830 3.111 18.209 248 HG3 LYS 35 1HG LYS 35 -5.333 2.963 17.296 249 HD2 LYS 35 2HD LYS 35 -4.733 0.482 17.076 250 HD3 LYS 35 1HD LYS 35 -3.558 0.785 18.357 251 HE2 LYS 35 2HE LYS 35 -5.439 1.711 19.733 252 HE3 LYS 35 1HE LYS 35 -6.547 1.142 18.485 253 HZ1 LYS 35 3HZ LYS 35 -5.076 -0.365 20.484 254 HZ2 LYS 35 1HZ LYS 35 -5.157 -1.073 18.950 255 HZ3 LYS 35 2HZ LYS 35 -6.579 -0.682 19.780 256 H GLY 36 H GLY 36 -0.960 3.479 14.738 257 HA2 GLY 36 2HA GLY 36 0.723 3.900 16.975 258 HA3 GLY 36 1HA GLY 36 1.247 3.714 15.309 259 H LEU 37 H LEU 37 0.008 5.901 14.130 260 HA LEU 37 HA LEU 37 1.805 7.982 14.850 261 HB2 LEU 37 2HB LEU 37 -0.167 7.478 12.762 262 HB3 LEU 37 1HB LEU 37 -0.142 9.157 13.266 263 HG LEU 37 HG LEU 37 2.556 8.356 12.924 264 HD11 LEU 37 1HD1 LEU 37 2.128 7.990 10.312 265 HD12 LEU 37 2HD1 LEU 37 0.696 7.184 10.951 266 HD13 LEU 37 3HD1 LEU 37 2.302 6.659 11.455 267 HD21 LEU 37 3HD2 LEU 37 2.035 9.945 10.806 268 HD22 LEU 37 1HD2 LEU 37 2.289 10.540 12.446 269 HD23 LEU 37 2HD2 LEU 37 0.650 10.316 11.833 270 H ALA 38 H ALA 38 -1.534 7.263 15.588 271 HA ALA 38 HA ALA 38 -2.266 9.809 16.575 272 HB1 ALA 38 1HB ALA 38 -3.984 8.261 15.993 273 HB2 ALA 38 2HB ALA 38 -4.097 8.555 17.728 274 HB3 ALA 38 3HB ALA 38 -3.370 7.063 17.131 275 H ARG 39 H ARG 39 -0.464 7.171 17.943 276 HA ARG 39 HA ARG 39 -0.539 8.469 20.579 277 HB2 ARG 39 2HB ARG 39 0.232 5.657 19.796 278 HB3 ARG 39 1HB ARG 39 0.383 6.303 21.424 279 HG2 ARG 39 2HG ARG 39 -2.278 6.645 20.275 280 HG3 ARG 39 1HG ARG 39 -1.781 4.960 20.440 281 HD2 ARG 39 2HD ARG 39 -2.986 5.875 22.421 282 HD3 ARG 39 1HD ARG 39 -1.381 5.237 22.780 283 HE ARG 39 HE ARG 39 -0.856 7.829 22.412 284 HH11 ARG 39 1HH1 ARG 39 -3.331 6.240 24.295 285 HH12 ARG 39 2HH1 ARG 39 -3.426 7.511 25.467 286 HH21 ARG 39 1HH2 ARG 39 -0.981 9.497 23.953 287 HH22 ARG 39 2HH2 ARG 39 -2.092 9.358 25.274 288 H PHE 40 H PHE 40 1.575 7.472 17.991 289 HA PHE 40 HA PHE 40 3.878 8.519 19.500 290 HB2 PHE 40 2HB PHE 40 3.682 6.516 17.261 291 HB3 PHE 40 1HB PHE 40 5.206 7.287 17.685 292 HD1 PHE 40 2HD PHE 40 6.194 6.904 19.927 293 HD2 PHE 40 1HD PHE 40 2.778 4.764 18.562 294 HE1 PHE 40 2HE PHE 40 6.558 5.213 21.677 295 HE2 PHE 40 1HE PHE 40 3.136 3.068 20.308 296 HZ PHE 40 HZ PHE 40 5.028 3.291 21.869 297 H THR 41 H THR 41 4.930 10.280 18.782 298 HA THR 41 HA THR 41 4.978 11.094 16.067 299 HB THR 41 HB THR 41 3.772 13.371 16.794 300 HG1 THR 41 1HG THR 41 1.924 12.819 18.022 301 HG21 THR 41 3HG2 THR 41 3.149 11.295 15.100 302 HG22 THR 41 1HG2 THR 41 2.309 12.841 15.217 303 HG23 THR 41 2HG2 THR 41 1.718 11.445 16.122 304 H LYS 42 H LYS 42 5.311 12.076 19.446 305 HA LYS 42 HA LYS 42 7.122 14.204 18.936 306 HB2 LYS 42 2HB LYS 42 6.073 12.793 21.301 307 HB3 LYS 42 1HB LYS 42 7.686 13.467 21.502 308 HG2 LYS 42 2HG LYS 42 6.221 15.132 22.246 309 HG3 LYS 42 1HG LYS 42 6.724 15.648 20.635 310 HD2 LYS 42 2HD LYS 42 4.411 14.000 20.382 311 HD3 LYS 42 1HD LYS 42 4.096 15.227 21.610 312 HE2 LYS 42 2HE LYS 42 5.067 15.722 18.798 313 HE3 LYS 42 1HE LYS 42 3.440 16.024 19.408 314 HZ1 LYS 42 3HZ LYS 42 5.908 17.524 19.872 315 HZ2 LYS 42 1HZ LYS 42 4.777 17.469 21.128 316 HZ3 LYS 42 2HZ LYS 42 4.335 18.088 19.619 317 H GLY 43 H GLY 43 8.347 12.771 17.335 318 HA2 GLY 43 2HA GLY 43 10.851 12.062 18.556 319 HA3 GLY 43 1HA GLY 43 9.978 10.669 17.932 320 H GLN 44 H GLN 44 12.475 11.370 16.980 321 HA GLN 44 HA GLN 44 12.421 12.980 14.668 322 HB2 GLN 44 2HB GLN 44 14.429 11.973 16.023 323 HB3 GLN 44 1HB GLN 44 14.258 10.627 14.905 324 HG2 GLN 44 2HG GLN 44 15.933 12.133 14.088 325 HG3 GLN 44 1HG GLN 44 14.529 12.193 13.023 326 HE21 GLN 44 1HE2 GLN 44 13.579 14.095 12.650 327 HE22 GLN 44 2HE2 GLN 44 13.986 15.579 13.435 328 H GLN 45 H GLN 45 10.442 12.333 13.659 329 HA GLN 45 HA GLN 45 9.431 11.389 11.827 330 HB2 GLN 45 2HB GLN 45 11.949 10.739 11.277 331 HB3 GLN 45 1HB GLN 45 11.367 9.130 11.675 332 HG2 GLN 45 2HG GLN 45 10.648 8.957 9.591 333 HG3 GLN 45 1HG GLN 45 9.438 10.183 9.968 334 HE21 GLN 45 1HE2 GLN 45 10.245 12.470 9.788 335 HE22 GLN 45 2HE2 GLN 45 11.258 12.836 8.436 336 H ARG 46 H ARG 46 7.578 10.624 12.643 337 HA ARG 46 HA ARG 46 7.594 8.285 14.370 338 HB2 ARG 46 2HB ARG 46 5.193 8.772 14.658 339 HB3 ARG 46 1HB ARG 46 6.210 10.154 15.034 340 HG2 ARG 46 2HG ARG 46 5.326 10.097 12.257 341 HG3 ARG 46 1HG ARG 46 4.001 10.185 13.419 342 HD2 ARG 46 2HD ARG 46 5.035 12.134 14.461 343 HD3 ARG 46 1HD ARG 46 6.386 12.033 13.336 344 HE ARG 46 HE ARG 46 4.159 12.224 11.754 345 HH11 ARG 46 1HH1 ARG 46 5.573 14.151 14.298 346 HH12 ARG 46 2HH1 ARG 46 4.963 15.647 13.675 347 HH21 ARG 46 1HH2 ARG 46 3.354 14.193 10.935 348 HH22 ARG 46 2HH2 ARG 46 3.703 15.672 11.767 349 H PHE 47 H PHE 47 6.899 9.124 11.084 350 HA PHE 47 HA PHE 47 5.155 6.995 10.450 351 HB2 PHE 47 2HB PHE 47 7.068 8.185 8.462 352 HB3 PHE 47 1HB PHE 47 5.426 7.610 8.202 353 HD1 PHE 47 2HD PHE 47 3.522 8.948 9.230 354 HD2 PHE 47 1HD PHE 47 7.494 10.433 8.875 355 HE1 PHE 47 2HE PHE 47 2.681 11.248 9.473 356 HE2 PHE 47 1HE PHE 47 6.660 12.735 9.118 357 HZ PHE 47 HZ PHE 47 4.250 13.144 9.417 358 H GLN 48 H GLN 48 8.678 7.337 10.095 359 HA GLN 48 HA GLN 48 9.047 4.725 9.034 360 HB2 GLN 48 2HB GLN 48 10.630 6.680 8.782 361 HB3 GLN 48 1HB GLN 48 11.117 6.410 10.450 362 HG2 GLN 48 2HG GLN 48 11.492 3.946 9.516 363 HG3 GLN 48 1HG GLN 48 11.717 4.844 8.016 364 HE21 GLN 48 1HE2 GLN 48 13.361 3.482 10.405 365 HE22 GLN 48 2HE2 GLN 48 14.738 4.521 10.493 366 H GLN 49 H GLN 49 9.540 6.112 12.274 367 HA GLN 49 HA GLN 49 10.474 3.784 13.515 368 HB2 GLN 49 2HB GLN 49 10.300 6.286 14.340 369 HB3 GLN 49 1HB GLN 49 8.789 5.720 15.041 370 HG2 GLN 49 2HG GLN 49 11.094 3.990 15.560 371 HG3 GLN 49 1HG GLN 49 11.208 5.604 16.258 372 HE21 GLN 49 1HE2 GLN 49 10.647 2.743 17.260 373 HE22 GLN 49 2HE2 GLN 49 9.306 2.959 18.327 374 H ILE 50 H ILE 50 7.164 5.103 13.365 375 HA ILE 50 HA ILE 50 5.932 3.064 14.830 376 HB ILE 50 HB ILE 50 4.935 5.301 14.112 377 HG12 ILE 50 2HG1 ILE 50 3.712 3.486 15.306 378 HG13 ILE 50 1HG1 ILE 50 2.681 4.474 14.277 379 HG21 ILE 50 1HG2 ILE 50 4.185 3.724 11.656 380 HG22 ILE 50 2HG2 ILE 50 5.361 5.037 11.705 381 HG23 ILE 50 3HG2 ILE 50 3.665 5.361 12.057 382 HD11 ILE 50 3HD1 ILE 50 3.370 2.456 12.589 383 HD12 ILE 50 1HD1 ILE 50 1.895 2.517 13.554 384 HD13 ILE 50 2HD1 ILE 50 3.299 1.626 14.143 385 H TYR 51 H TYR 51 6.615 3.341 11.384 386 HA TYR 51 HA TYR 51 5.207 1.087 10.507 387 HB2 TYR 51 2HB TYR 51 6.032 2.689 8.909 388 HB3 TYR 51 1HB TYR 51 7.696 2.406 9.409 389 HD1 TYR 51 2HD TYR 51 4.810 0.321 8.247 390 HD2 TYR 51 1HD TYR 51 8.955 1.209 7.901 391 HE1 TYR 51 2HE TYR 51 5.027 -1.408 6.515 392 HE2 TYR 51 1HE TYR 51 9.184 -0.518 6.163 393 HH TYR 51 HH TYR 51 6.464 -2.025 4.701 394 H TYR 52 H TYR 52 8.446 1.439 11.829 395 HA TYR 52 HA TYR 52 9.291 -1.212 11.309 396 HB2 TYR 52 2HB TYR 52 10.305 1.106 12.811 397 HB3 TYR 52 1HB TYR 52 10.807 -0.456 13.451 398 HD1 TYR 52 1HD TYR 52 11.938 -2.090 11.854 399 HD2 TYR 52 2HD TYR 52 11.371 2.026 10.938 400 HE1 TYR 52 1HE TYR 52 13.692 -2.236 10.136 401 HE2 TYR 52 2HE TYR 52 13.123 1.892 9.219 402 HH TYR 52 HH TYR 52 15.138 0.440 8.752 403 H ALA 53 H ALA 53 7.715 0.301 14.082 404 HA ALA 53 HA ALA 53 7.969 -1.922 15.811 405 HB1 ALA 53 1HB ALA 53 5.613 -0.177 16.146 406 HB2 ALA 53 2HB ALA 53 7.189 0.615 16.182 407 HB3 ALA 53 3HB ALA 53 6.827 -0.683 17.319 408 H TYR 54 H TYR 54 5.222 -0.798 13.860 409 HA TYR 54 HA TYR 54 3.749 -3.215 14.373 410 HB2 TYR 54 2HB TYR 54 1.941 -2.096 13.622 411 HB3 TYR 54 1HB TYR 54 2.974 -0.685 13.786 412 HD1 TYR 54 2HD TYR 54 1.461 -3.048 11.412 413 HD2 TYR 54 1HD TYR 54 3.781 0.491 11.845 414 HE1 TYR 54 2HE TYR 54 1.130 -2.548 9.029 415 HE2 TYR 54 1HE TYR 54 3.452 1.003 9.463 416 HH TYR 54 HH TYR 54 2.941 -0.367 7.339 417 H ARG 55 H ARG 55 6.372 -2.805 12.531 418 HA ARG 55 HA ARG 55 5.783 -3.665 9.979 419 HB2 ARG 55 2HB ARG 55 8.060 -4.341 9.787 420 HB3 ARG 55 1HB ARG 55 8.028 -2.947 10.857 421 HG2 ARG 55 2HG ARG 55 9.405 -4.256 12.075 422 HG3 ARG 55 1HG ARG 55 7.871 -4.876 12.692 423 HD2 ARG 55 2HD ARG 55 7.983 -6.798 11.366 424 HD3 ARG 55 1HD ARG 55 9.192 -6.095 10.292 425 HE ARG 55 HE ARG 55 10.131 -6.368 12.980 426 HH11 ARG 55 1HH1 ARG 55 9.642 -8.075 9.975 427 HH12 ARG 55 2HH1 ARG 55 10.879 -9.244 10.293 428 HH21 ARG 55 1HH2 ARG 55 11.762 -7.904 13.398 429 HH22 ARG 55 2HH2 ARG 55 12.084 -9.147 12.236 430 H SER 56 H SER 56 5.643 -5.463 12.933 431 HA SER 56 HA SER 56 5.971 -8.070 12.030 432 HB2 SER 56 2HB SER 56 5.394 -6.981 14.431 433 HB3 SER 56 1HB SER 56 3.809 -7.626 14.009 434 HG SER 56 HG SER 56 5.023 -9.638 13.536 435 H VAL 57 H VAL 57 3.387 -5.842 11.476 436 HA VAL 57 HA VAL 57 1.675 -7.971 10.405 437 HB VAL 57 HB VAL 57 1.064 -5.086 11.062 438 HG11 VAL 57 1HG1 VAL 57 -0.684 -7.184 9.785 439 HG12 VAL 57 2HG1 VAL 57 -0.226 -5.616 9.122 440 HG13 VAL 57 3HG1 VAL 57 -1.301 -5.703 10.517 441 HG21 VAL 57 3HG2 VAL 57 -0.142 -5.867 12.882 442 HG22 VAL 57 1HG2 VAL 57 1.273 -6.918 12.868 443 HG23 VAL 57 2HG2 VAL 57 -0.262 -7.501 12.226 444 H TRP 58 H TRP 58 0.632 -7.639 8.349 445 HA TRP 58 HA TRP 58 0.572 -7.167 6.139 446 HB2 TRP 58 2HB TRP 58 0.575 -4.785 7.016 447 HB3 TRP 58 1HB TRP 58 2.305 -4.763 6.698 448 HD1 TRP 58 HD TRP 58 -0.900 -5.589 4.648 449 HE1 TRP 58 1HE TRP 58 -0.590 -4.611 2.287 450 HE3 TRP 58 3HE TRP 58 3.807 -3.664 5.177 451 HZ2 TRP 58 2HZ TRP 58 1.388 -3.209 0.840 452 HZ3 TRP 58 3HZ TRP 58 4.837 -2.519 3.257 453 HH2 TRP 58 HH TRP 58 3.651 -2.298 1.133 454 H HIS 59 H HIS 59 3.817 -5.941 6.980 455 HA HIS 59 HA HIS 59 5.157 -8.222 5.914 456 HB2 HIS 59 2HB HIS 59 4.459 -6.070 4.098 457 HB3 HIS 59 1HB HIS 59 6.205 -6.277 4.193 458 HD1 HIS 59 1HD HIS 59 5.495 -6.976 1.565 459 HD2 HIS 59 2HD HIS 59 4.765 -9.694 4.622 460 HE1 HIS 59 1HE HIS 59 5.258 -9.210 0.436 461 HE2 HIS 59 2HE HIS 59 4.903 -10.852 2.313 462 HA PRO 60 HA PRO 60 8.777 -6.853 8.019 463 HB2 PRO 60 2HB PRO 60 10.187 -6.316 5.446 464 HB3 PRO 60 1HB PRO 60 10.699 -7.293 6.829 465 HG2 PRO 60 2HG PRO 60 9.822 -8.459 4.606 466 HG3 PRO 60 1HG PRO 60 9.391 -9.105 6.200 467 HD2 PRO 60 2HD PRO 60 7.739 -7.520 4.284 468 HD3 PRO 60 1HD PRO 60 7.256 -8.840 5.369 469 H ALA 61 H ALA 61 10.611 -5.018 7.860 470 HA ALA 61 HA ALA 61 9.167 -2.507 7.322 471 HB1 ALA 61 1HB ALA 61 9.455 -2.386 9.578 472 HB2 ALA 61 2HB ALA 61 10.984 -1.672 9.061 473 HB3 ALA 61 3HB ALA 61 10.923 -3.364 9.556 474 H ARG 62 H ARG 62 10.434 -3.565 5.181 475 HA ARG 62 HA ARG 62 12.862 -1.912 4.936 476 HB2 ARG 62 2HB ARG 62 13.730 -3.521 3.326 477 HB3 ARG 62 1HB ARG 62 13.379 -4.316 4.855 478 HG2 ARG 62 2HG ARG 62 11.185 -5.033 3.853 479 HG3 ARG 62 1HG ARG 62 11.795 -4.445 2.305 480 HD2 ARG 62 2HD ARG 62 12.563 -6.546 2.081 481 HD3 ARG 62 1HD ARG 62 13.870 -5.980 3.120 482 HE ARG 62 HE ARG 62 12.029 -6.836 4.893 483 HH11 ARG 62 1HH1 ARG 62 13.465 -8.317 2.078 484 HH12 ARG 62 2HH1 ARG 62 13.329 -9.927 2.701 485 HH21 ARG 62 1HH2 ARG 62 11.848 -8.953 5.713 486 HH22 ARG 62 2HH2 ARG 62 12.411 -10.288 4.765 487 H THR 63 H THR 63 10.474 -0.714 4.487 488 HA THR 63 HA THR 63 10.720 0.120 1.771 489 HB THR 63 HB THR 63 9.415 -2.006 1.533 490 HG1 THR 63 1HG THR 63 8.358 -1.121 -0.065 491 HG21 THR 63 3HG2 THR 63 7.816 -2.408 3.022 492 HG22 THR 63 1HG2 THR 63 6.840 -1.281 2.082 493 HG23 THR 63 2HG2 THR 63 7.710 -0.717 3.508 494 H VAL 64 H VAL 64 10.998 1.572 4.032 495 HA VAL 64 HA VAL 64 8.782 2.805 5.132 496 HB VAL 64 HB VAL 64 11.431 4.102 4.455 497 HG11 VAL 64 1HG1 VAL 64 9.298 4.950 6.417 498 HG12 VAL 64 2HG1 VAL 64 9.701 5.765 4.905 499 HG13 VAL 64 3HG1 VAL 64 10.878 5.710 6.218 500 HG21 VAL 64 3HG2 VAL 64 12.150 3.490 6.637 501 HG22 VAL 64 1HG2 VAL 64 11.485 2.036 5.893 502 HG23 VAL 64 2HG2 VAL 64 10.538 2.931 7.082 503 H SER 65 H SER 65 10.241 3.217 1.990 504 HA SER 65 HA SER 65 9.035 5.628 1.220 505 HB2 SER 65 2HB SER 65 10.073 3.246 -0.290 506 HB3 SER 65 1HB SER 65 9.225 4.532 -1.146 507 HG SER 65 HG SER 65 11.400 5.043 0.586 508 H GLN 66 H GLN 66 7.968 2.269 1.019 509 HA GLN 66 HA GLN 66 5.541 2.727 -0.330 510 HB2 GLN 66 2HB GLN 66 6.668 0.556 1.346 511 HB3 GLN 66 1HB GLN 66 4.918 0.593 1.202 512 HG2 GLN 66 2HG GLN 66 5.372 0.765 -1.338 513 HG3 GLN 66 1HG GLN 66 6.976 0.165 -0.916 514 HE21 GLN 66 1HE2 GLN 66 3.783 -0.652 -1.592 515 HE22 GLN 66 2HE2 GLN 66 3.854 -2.324 -1.167 516 H LEU 67 H LEU 67 6.469 2.909 3.046 517 HA LEU 67 HA LEU 67 3.977 3.139 4.258 518 HB2 LEU 67 2HB LEU 67 6.413 3.083 5.239 519 HB3 LEU 67 1HB LEU 67 6.267 4.829 5.168 520 HG LEU 67 HG LEU 67 5.698 4.067 7.382 521 HD11 LEU 67 1HD1 LEU 67 3.554 5.098 7.639 522 HD12 LEU 67 2HD1 LEU 67 3.158 4.811 5.943 523 HD13 LEU 67 3HD1 LEU 67 4.430 5.956 6.372 524 HD21 LEU 67 3HD2 LEU 67 4.812 1.802 6.229 525 HD22 LEU 67 1HD2 LEU 67 3.277 2.614 6.543 526 HD23 LEU 67 2HD2 LEU 67 4.396 2.295 7.871 527 H TYR 68 H TYR 68 6.079 5.667 2.966 528 HA TYR 68 HA TYR 68 4.335 7.816 3.479 529 HB2 TYR 68 2HB TYR 68 6.599 7.407 1.535 530 HB3 TYR 68 1HB TYR 68 5.660 8.896 1.534 531 HD1 TYR 68 1HD TYR 68 6.179 7.246 4.733 532 HD2 TYR 68 2HD TYR 68 7.761 10.114 2.015 533 HE1 TYR 68 1HE TYR 68 7.607 8.146 6.522 534 HE2 TYR 68 2HE TYR 68 9.194 11.020 3.797 535 HH TYR 68 HH TYR 68 10.174 9.786 6.178 536 H ASP 69 H ASP 69 4.496 5.425 0.952 537 HA ASP 69 HA ASP 69 2.894 6.720 -0.966 538 HB2 ASP 69 2HB ASP 69 4.278 4.334 -0.832 539 HB3 ASP 69 1HB ASP 69 2.597 3.815 -0.917 540 H HIS 70 H HIS 70 2.020 4.346 1.546 541 HA HIS 70 HA HIS 70 -0.779 4.573 0.921 542 HB2 HIS 70 2HB HIS 70 -0.313 3.584 3.607 543 HB3 HIS 70 1HB HIS 70 -1.050 2.773 2.232 544 HD1 HIS 70 1HD HIS 70 1.945 2.833 4.306 545 HD2 HIS 70 2HD HIS 70 0.884 1.385 0.562 546 HE1 HIS 70 1HE HIS 70 3.741 1.199 3.690 547 HE2 HIS 70 2HE HIS 70 2.998 0.216 1.489 548 H TRP 71 H TRP 71 1.469 6.057 3.101 549 HA TRP 71 HA TRP 71 -0.417 7.333 4.784 550 HB2 TRP 71 2HB TRP 71 2.115 6.938 5.152 551 HB3 TRP 71 1HB TRP 71 2.335 8.403 4.198 552 HD1 TRP 71 HD TRP 71 1.495 7.231 7.662 553 HE1 TRP 71 1HE TRP 71 1.075 9.261 9.188 554 HE3 TRP 71 3HE TRP 71 1.299 10.897 4.104 555 HZ2 TRP 71 2HZ TRP 71 0.707 12.046 8.920 556 HZ3 TRP 71 3HZ TRP 71 0.908 13.218 4.821 557 HH2 TRP 71 HH TRP 71 0.618 13.779 7.179 558 H ARG 72 H ARG 72 0.936 8.059 1.651 559 HA ARG 72 HA ARG 72 0.040 10.800 1.640 560 HB2 ARG 72 2HB ARG 72 1.661 9.108 -0.055 561 HB3 ARG 72 1HB ARG 72 0.462 9.962 -1.014 562 HG2 ARG 72 2HG ARG 72 2.437 11.281 -0.968 563 HG3 ARG 72 1HG ARG 72 1.230 12.085 0.037 564 HD2 ARG 72 2HD ARG 72 2.274 11.279 2.040 565 HD3 ARG 72 1HD ARG 72 3.381 10.268 1.112 566 HE ARG 72 HE ARG 72 4.724 12.089 0.841 567 HH11 ARG 72 1HH1 ARG 72 1.517 13.206 1.650 568 HH12 ARG 72 2HH1 ARG 72 1.986 14.870 1.746 569 HH21 ARG 72 1HH2 ARG 72 5.342 14.277 0.969 570 HH22 ARG 72 2HH2 ARG 72 4.158 15.478 1.361 571 H GLY 73 H GLY 73 -1.087 7.686 0.473 572 HA2 GLY 73 2HA GLY 73 -3.257 8.680 -1.073 573 HA3 GLY 73 1HA GLY 73 -3.074 7.034 -0.484 574 H THR 74 H THR 74 -2.847 7.986 2.322 575 HA THR 74 HA THR 74 -5.683 8.043 2.874 576 HB THR 74 HB THR 74 -4.883 8.017 5.283 577 HG1 THR 74 1HG THR 74 -2.353 7.461 4.158 578 HG21 THR 74 3HG2 THR 74 -5.427 5.897 4.634 579 HG22 THR 74 1HG2 THR 74 -3.711 5.702 4.988 580 HG23 THR 74 2HG2 THR 74 -4.253 5.877 3.318 581 H LEU 75 H LEU 75 -2.893 10.162 3.437 582 HA LEU 75 HA LEU 75 -4.711 12.296 4.293 583 HB2 LEU 75 2HB LEU 75 -2.104 11.493 5.082 584 HB3 LEU 75 1HB LEU 75 -1.968 13.093 4.379 585 HG LEU 75 HG LEU 75 -4.177 13.266 6.076 586 HD11 LEU 75 1HD1 LEU 75 -2.825 12.574 8.236 587 HD12 LEU 75 2HD1 LEU 75 -2.126 11.393 7.129 588 HD13 LEU 75 3HD1 LEU 75 -3.869 11.432 7.393 589 HD21 LEU 75 3HD2 LEU 75 -2.305 14.900 5.565 590 HD22 LEU 75 1HD2 LEU 75 -1.371 14.062 6.804 591 HD23 LEU 75 2HD2 LEU 75 -2.885 14.861 7.230 592 H ARG 76 H ARG 76 -1.712 12.178 2.367 593 HA ARG 76 HA ARG 76 -1.131 13.138 0.390 594 HB2 ARG 76 2HB ARG 76 -3.797 12.374 0.031 595 HB3 ARG 76 1HB ARG 76 -3.731 14.039 -0.529 596 HG2 ARG 76 2HG ARG 76 -2.035 13.514 -2.120 597 HG3 ARG 76 1HG ARG 76 -1.835 11.893 -1.452 598 HD2 ARG 76 2HD ARG 76 -3.274 11.226 -3.022 599 HD3 ARG 76 1HD ARG 76 -4.521 11.997 -2.043 600 HE ARG 76 HE ARG 76 -3.400 13.953 -3.681 601 HH11 ARG 76 1HH1 ARG 76 -5.275 11.027 -4.006 602 HH12 ARG 76 2HH1 ARG 76 -6.056 11.539 -5.464 603 HH21 ARG 76 1HH2 ARG 76 -4.426 14.630 -5.600 604 HH22 ARG 76 2HH2 ARG 76 -5.574 13.585 -6.369 605 H TYR 77 H TYR 77 -4.032 15.062 1.135 606 HA TYR 77 HA TYR 77 -2.338 17.460 1.114 607 HB2 TYR 77 2HB TYR 77 -5.221 16.952 0.497 608 HB3 TYR 77 1HB TYR 77 -4.731 18.557 1.029 609 HD1 TYR 77 2HD TYR 77 -2.130 18.894 -0.266 610 HD2 TYR 77 1HD TYR 77 -5.707 17.146 -1.767 611 HE1 TYR 77 2HE TYR 77 -1.431 19.443 -2.559 612 HE2 TYR 77 1HE TYR 77 -5.017 17.691 -4.064 613 HH TYR 77 HH TYR 77 -3.331 19.628 -5.069 614 H LYS 78 H LYS 78 -2.623 19.093 2.706 615 HA LYS 78 HA LYS 78 -3.092 18.019 5.336 616 HB2 LYS 78 2HB LYS 78 -1.828 20.397 4.183 617 HB3 LYS 78 1HB LYS 78 -2.704 20.727 5.673 618 HG2 LYS 78 2HG LYS 78 -1.411 18.665 6.581 619 HG3 LYS 78 1HG LYS 78 -0.331 18.977 5.221 620 HD2 LYS 78 2HD LYS 78 -1.099 21.264 6.960 621 HD3 LYS 78 1HD LYS 78 0.058 20.091 7.589 622 HE2 LYS 78 2HE LYS 78 0.430 21.246 4.857 623 HE3 LYS 78 1HE LYS 78 0.902 22.177 6.279 624 HZ1 LYS 78 3HZ LYS 78 2.688 20.772 5.253 625 HZ2 LYS 78 1HZ LYS 78 1.841 19.409 5.791 626 HZ3 LYS 78 2HZ LYS 78 2.442 20.526 6.908 627 H VAL 79 H VAL 79 -4.965 18.034 6.372 628 HA VAL 79 HA VAL 79 -7.091 19.817 5.415 629 HB VAL 79 HB VAL 79 -7.604 17.404 5.437 630 HG11 VAL 79 1HG1 VAL 79 -6.159 16.976 7.494 631 HG12 VAL 79 2HG1 VAL 79 -7.691 16.108 7.393 632 HG13 VAL 79 3HG1 VAL 79 -7.545 17.521 8.439 633 HG21 VAL 79 3HG2 VAL 79 -9.242 18.817 7.529 634 HG22 VAL 79 1HG2 VAL 79 -9.770 17.591 6.378 635 HG23 VAL 79 2HG2 VAL 79 -9.334 19.203 5.811 636 H ILE 80 H ILE 80 -7.358 21.630 6.524 637 HA ILE 80 HA ILE 80 -6.292 22.033 9.134 638 HB ILE 80 HB ILE 80 -8.321 23.778 7.744 639 HG12 ILE 80 2HG1 ILE 80 -5.738 24.847 7.401 640 HG13 ILE 80 1HG1 ILE 80 -5.609 23.143 6.973 641 HG21 ILE 80 1HG2 ILE 80 -6.170 24.905 9.415 642 HG22 ILE 80 2HG2 ILE 80 -7.403 23.973 10.264 643 HG23 ILE 80 3HG2 ILE 80 -7.868 25.363 9.284 644 HD11 ILE 80 3HD1 ILE 80 -6.408 23.663 4.980 645 HD12 ILE 80 1HD1 ILE 80 -6.746 25.315 5.493 646 HD13 ILE 80 2HD1 ILE 80 -7.947 24.050 5.747 647 H GLN 81 H GLN 81 -7.231 21.887 11.088 648 HA GLN 81 HA GLN 81 -9.812 20.614 11.275 649 HB2 GLN 81 2HB GLN 81 -7.898 21.535 13.426 650 HB3 GLN 81 1HB GLN 81 -9.352 20.586 13.708 651 HG2 GLN 81 2HG GLN 81 -6.968 19.724 12.085 652 HG3 GLN 81 1HG GLN 81 -7.360 19.193 13.720 653 HE21 GLN 81 1HE2 GLN 81 -7.288 18.087 10.765 654 HE22 GLN 81 2HE2 GLN 81 -8.678 17.060 10.737 655 H GLN 82 H GLN 82 -8.425 23.770 11.968 656 HA GLN 82 HA GLN 82 -10.874 24.761 13.147 657 HB2 GLN 82 2HB GLN 82 -9.676 26.881 13.350 658 HB3 GLN 82 1HB GLN 82 -8.707 25.554 13.975 659 HG2 GLN 82 2HG GLN 82 -8.217 26.100 11.158 660 HG3 GLN 82 1HG GLN 82 -7.869 27.473 12.209 661 HE21 GLN 82 1HE2 GLN 82 -5.815 27.550 12.728 662 HE22 GLN 82 2HE2 GLN 82 -4.792 26.202 13.071 663 H GLN 83 H GLN 83 -11.796 26.855 12.300 664 HA GLN 83 HA GLN 83 -12.554 26.474 9.563 665 HB2 GLN 83 2HB GLN 83 -13.195 28.841 11.324 666 HB3 GLN 83 1HB GLN 83 -14.074 28.298 9.902 667 HG2 GLN 83 2HG GLN 83 -13.794 26.452 12.218 668 HG3 GLN 83 1HG GLN 83 -14.950 27.780 12.309 669 HE21 GLN 83 1HE2 GLN 83 -16.173 27.972 10.060 670 HE22 GLN 83 2HE2 GLN 83 -16.899 26.493 9.543 671 H GLY 84 H GLY 84 -12.533 28.318 7.995 672 HA2 GLY 84 2HA GLY 84 -10.530 30.351 8.293 673 HA3 GLY 84 1HA GLY 84 -10.000 29.041 7.247 674 H TYR 85 H TYR 85 -9.900 30.934 5.728 675 HA TYR 85 HA TYR 85 -12.530 31.578 4.594 676 HB2 TYR 85 2HB TYR 85 -10.567 33.293 5.229 677 HB3 TYR 85 1HB TYR 85 -10.078 32.915 3.581 678 HD1 TYR 85 2HD TYR 85 -13.386 33.487 5.233 679 HD2 TYR 85 1HD TYR 85 -10.694 34.593 2.130 680 HE1 TYR 85 2HE TYR 85 -15.041 35.095 4.380 681 HE2 TYR 85 1HE TYR 85 -12.340 36.204 1.269 682 HH TYR 85 HH TYR 85 -14.825 37.360 2.928 683 H ARG 86 H ARG 86 -12.958 29.771 3.367 684 HA ARG 86 HA ARG 86 -10.981 28.813 1.469 685 HB2 ARG 86 2HB ARG 86 -12.907 27.525 2.870 686 HB3 ARG 86 1HB ARG 86 -13.745 27.772 1.344 687 HG2 ARG 86 2HG ARG 86 -10.988 26.619 1.378 688 HG3 ARG 86 1HG ARG 86 -12.390 25.603 1.720 689 HD2 ARG 86 2HD ARG 86 -13.216 25.789 -0.411 690 HD3 ARG 86 1HD ARG 86 -12.452 27.354 -0.687 691 HE ARG 86 HE ARG 86 -10.590 26.272 -1.466 692 HH11 ARG 86 1HH1 ARG 86 -12.616 23.976 0.210 693 HH12 ARG 86 2HH1 ARG 86 -11.685 22.603 -0.286 694 HH21 ARG 86 1HH2 ARG 86 -9.364 24.468 -2.118 695 HH22 ARG 86 2HH2 ARG 86 -9.837 22.883 -1.607 696 H GLY 87 H GLY 87 -14.001 30.612 1.490 697 HA2 GLY 87 2HA GLY 87 -13.652 32.178 -0.665 698 HA3 GLY 87 1HA GLY 87 -14.161 30.668 -1.405 699 H LYS 88 H LYS 88 -15.137 33.467 0.340 700 HA LYS 88 HA LYS 88 -17.867 32.469 0.657 701 HB2 LYS 88 2HB LYS 88 -16.476 33.853 2.413 702 HB3 LYS 88 1HB LYS 88 -17.022 35.225 1.458 703 HG2 LYS 88 2HG LYS 88 -18.857 35.219 2.701 704 HG3 LYS 88 1HG LYS 88 -19.320 33.735 1.862 705 HD2 LYS 88 2HD LYS 88 -19.359 32.824 3.912 706 HD3 LYS 88 1HD LYS 88 -17.601 32.794 3.764 707 HE2 LYS 88 2HE LYS 88 -18.102 35.354 4.632 708 HE3 LYS 88 1HE LYS 88 -19.312 34.404 5.493 709 HZ1 LYS 88 3HZ LYS 88 -16.372 34.000 5.523 710 HZ2 LYS 88 1HZ LYS 88 -17.479 32.921 6.211 711 HZ3 LYS 88 2HZ LYS 88 -17.349 34.495 6.813 712 H ASN 89 H ASN 89 -18.645 32.461 -1.438 713 HA ASN 89 HA ASN 89 -18.766 35.079 -2.785 714 HB2 ASN 89 2HB ASN 89 -18.461 32.302 -3.793 715 HB3 ASN 89 1HB ASN 89 -19.464 33.386 -4.754 716 HD21 ASN 89 1HD2 ASN 89 -17.080 32.289 -5.669 717 HD22 ASN 89 2HD2 ASN 89 -15.932 33.561 -5.892 718 H SER 90 H SER 90 -20.689 32.099 -3.062 719 HA SER 90 HA SER 90 -23.022 33.215 -1.886 720 HB2 SER 90 2HB SER 90 -22.629 34.166 -4.415 721 HB3 SER 90 1HB SER 90 -23.616 32.741 -4.735 722 HG SER 90 HG SER 90 -25.006 33.639 -2.980 723 H VAL 91 H VAL 91 -22.473 31.065 -4.679 724 HA VAL 91 HA VAL 91 -23.903 28.948 -3.230 725 HB VAL 91 HB VAL 91 -23.209 29.032 -6.170 726 HG11 VAL 91 1HG1 VAL 91 -25.266 27.387 -6.075 727 HG12 VAL 91 2HG1 VAL 91 -24.710 27.150 -4.419 728 HG13 VAL 91 3HG1 VAL 91 -23.627 26.818 -5.770 729 HG21 VAL 91 3HG2 VAL 91 -26.011 29.379 -5.365 730 HG22 VAL 91 1HG2 VAL 91 -25.084 30.183 -6.632 731 HG23 VAL 91 2HG2 VAL 91 -24.954 30.730 -4.960 732 H ALA 92 H ALA 92 -22.786 27.336 -2.368 733 HA ALA 92 HA ALA 92 -19.978 27.092 -2.660 734 HB1 ALA 92 1HB ALA 92 -20.618 24.756 -1.517 735 HB2 ALA 92 2HB ALA 92 -22.106 25.650 -1.203 736 HB3 ALA 92 3HB ALA 92 -20.562 26.280 -0.629 737 H ALA 93 H ALA 93 -22.502 24.699 -3.474 738 HA ALA 93 HA ALA 93 -21.407 24.184 -6.058 739 HB1 ALA 93 1HB ALA 93 -21.197 21.722 -4.465 740 HB2 ALA 93 2HB ALA 93 -19.985 22.954 -4.116 741 HB3 ALA 93 3HB ALA 93 -20.164 22.332 -5.756 742 H ARG 94 H ARG 94 -22.964 22.104 -3.619 743 HA ARG 94 HA ARG 94 -24.953 21.005 -3.604 744 HB2 ARG 94 2HB ARG 94 -25.574 23.563 -4.991 745 HB3 ARG 94 1HB ARG 94 -26.781 22.286 -5.072 746 HG2 ARG 94 2HG ARG 94 -27.385 22.549 -2.937 747 HG3 ARG 94 1HG ARG 94 -25.720 22.749 -2.388 748 HD2 ARG 94 2HD ARG 94 -26.520 24.848 -1.976 749 HD3 ARG 94 1HD ARG 94 -25.951 25.063 -3.631 750 HE ARG 94 HE ARG 94 -28.656 24.226 -3.612 751 HH11 ARG 94 1HH1 ARG 94 -26.646 27.012 -2.992 752 HH12 ARG 94 2HH1 ARG 94 -27.892 28.153 -3.372 753 HH21 ARG 94 1HH2 ARG 94 -30.297 25.725 -4.113 754 HH22 ARG 94 2HH2 ARG 94 -29.966 27.423 -4.008 755 H SER 95 H SER 95 -23.082 20.037 -5.394 756 HA SER 95 HA SER 95 -24.733 18.515 -7.141 757 HB2 SER 95 2HB SER 95 -24.177 20.882 -8.273 758 HB3 SER 95 1HB SER 95 -22.714 20.012 -8.733 759 HG SER 95 HG SER 95 -24.301 19.727 -10.306 760 HA PRO 96 HA PRO 96 -20.620 16.783 -5.541 761 HB2 PRO 96 2HB PRO 96 -22.515 14.530 -5.095 762 HB3 PRO 96 1HB PRO 96 -21.214 15.129 -4.059 763 HG2 PRO 96 2HG PRO 96 -23.759 15.647 -3.476 764 HG3 PRO 96 1HG PRO 96 -22.500 16.870 -3.227 765 HD2 PRO 96 2HD PRO 96 -24.548 16.669 -5.391 766 HD3 PRO 96 1HD PRO 96 -23.901 18.109 -4.578 767 H GLU 97 H GLU 97 -20.013 14.283 -6.067 768 HA GLU 97 HA GLU 97 -20.852 13.690 -8.816 769 HB2 GLU 97 2HB GLU 97 -18.072 14.199 -7.829 770 HB3 GLU 97 1HB GLU 97 -18.328 13.063 -9.146 771 HG2 GLU 97 2HG GLU 97 -19.749 15.561 -9.548 772 HG3 GLU 97 1HG GLU 97 -18.011 15.793 -9.366 773 H LYS 98 H LYS 98 -21.925 11.832 -8.381 774 HA LYS 98 HA LYS 98 -22.276 9.642 -7.880 775 HB2 LYS 98 2HB LYS 98 -20.113 9.492 -9.234 776 HB3 LYS 98 1HB LYS 98 -19.284 9.333 -7.692 777 HG2 LYS 98 2HG LYS 98 -21.359 7.472 -7.597 778 HG3 LYS 98 1HG LYS 98 -20.699 7.355 -9.229 779 HD2 LYS 98 2HD LYS 98 -18.488 6.969 -8.368 780 HD3 LYS 98 1HD LYS 98 -19.033 7.277 -6.717 781 HE2 LYS 98 2HE LYS 98 -20.150 5.262 -6.570 782 HE3 LYS 98 1HE LYS 98 -20.330 5.116 -8.318 783 HZ1 LYS 98 3HZ LYS 98 -18.613 3.659 -7.049 784 HZ2 LYS 98 1HZ LYS 98 -17.636 5.036 -7.153 785 HZ3 LYS 98 2HZ LYS 98 -18.219 4.304 -8.562 786 H ALA 99 H ALA 99 -23.210 10.106 -5.861 787 HA ALA 99 HA ALA 99 -21.613 9.174 -3.601 788 HB1 ALA 99 1HB ALA 99 -22.908 11.143 -2.329 789 HB2 ALA 99 2HB ALA 99 -22.702 11.902 -3.908 790 HB3 ALA 99 3HB ALA 99 -21.294 11.336 -3.012 791 H SER 100 H SER 100 -23.774 8.032 -5.183 792 HA SER 100 HA SER 100 -25.939 7.934 -3.194 793 HB2 SER 100 2HB SER 100 -26.082 6.902 -6.028 794 HB3 SER 100 1HB SER 100 -27.417 7.247 -4.928 795 HG SER 100 HG SER 100 -25.630 9.160 -6.032 796 H ASN 101 H ASN 101 -23.415 6.518 -2.924 797 HA ASN 101 HA ASN 101 -24.481 3.781 -2.838 798 HB2 ASN 101 2HB ASN 101 -22.159 4.736 -4.301 799 HB3 ASN 101 1HB ASN 101 -21.724 3.479 -3.148 800 HD21 ASN 101 1HD2 ASN 101 -22.595 1.416 -3.375 801 HD22 ASN 101 2HD2 ASN 101 -23.315 0.889 -4.855 802 H MET 102 H MET 102 -24.144 2.706 -0.969 803 HA MET 102 HA MET 102 -22.059 3.421 0.868 804 HB2 MET 102 2HB MET 102 -23.691 3.930 2.741 805 HB3 MET 102 1HB MET 102 -23.493 5.187 1.526 806 HG2 MET 102 2HG MET 102 -25.559 3.997 0.427 807 HG3 MET 102 1HG MET 102 -25.821 3.422 2.073 808 HE1 MET 102 3HE MET 102 -26.988 5.560 -0.309 809 HE2 MET 102 1HE MET 102 -25.733 6.796 -0.213 810 HE3 MET 102 2HE MET 102 -27.358 7.139 0.382 811 H GLU 103 H GLU 103 -21.550 1.739 2.160 812 HA GLU 103 HA GLU 103 -21.552 -0.361 3.030 813 HB2 GLU 103 2HB GLU 103 -24.562 -0.113 2.941 814 HB3 GLU 103 1HB GLU 103 -23.632 -1.230 3.931 815 HG2 GLU 103 2HG GLU 103 -23.265 0.294 5.511 816 HG3 GLU 103 1HG GLU 103 -22.889 1.556 4.338 817 H ASN 104 H ASN 104 -20.666 -1.219 1.092 818 HA ASN 104 HA ASN 104 -22.596 -2.759 -0.518 819 HB2 ASN 104 2HB ASN 104 -21.010 -0.831 -1.514 820 HB3 ASN 104 1HB ASN 104 -19.900 -2.192 -1.628 821 HD21 ASN 104 1HD2 ASN 104 -20.880 -0.813 -3.837 822 HD22 ASN 104 2HD2 ASN 104 -21.882 -1.880 -4.756 823 H ASN 105 H ASN 105 -22.336 -4.909 -0.633 824 HA ASN 105 HA ASN 105 -20.603 -6.241 1.142 825 HB2 ASN 105 2HB ASN 105 -22.591 -7.008 -0.893 826 HB3 ASN 105 1HB ASN 105 -21.325 -8.201 -0.617 827 HD21 ASN 105 1HD2 ASN 105 -20.884 -8.639 1.748 828 HD22 ASN 105 2HD2 ASN 105 -22.270 -8.804 2.769 829 H GLU 106 H GLU 106 -20.364 -5.466 -2.271 830 HA GLU 106 HA GLU 106 -18.140 -7.127 -2.845 831 HB2 GLU 106 2HB GLU 106 -19.842 -5.657 -4.358 832 HB3 GLU 106 1HB GLU 106 -18.422 -4.621 -4.384 833 HG2 GLU 106 2HG GLU 106 -17.078 -6.475 -5.226 834 HG3 GLU 106 1HG GLU 106 -18.498 -7.519 -5.193
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