NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
637381 | 6d6x | 30457 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA SER 1 HA SER 1 -5.153 -15.943 -5.752 2 HB2 SER 1 HB2 SER 1 -3.681 -16.405 -7.588 3 HB3 SER 1 HB3 SER 1 -5.142 -17.350 -7.823 4 HG SER 1 HG SER 1 -4.828 -14.796 -8.927 5 H VAL 2 H VAL 2 -3.060 -14.660 -6.534 6 HA VAL 2 HA VAL 2 -3.930 -11.806 -6.667 7 HB VAL 2 HB VAL 2 -1.375 -13.005 -5.513 8 HG11 VAL 2 HG11 VAL 2 -0.951 -10.753 -4.656 9 HG12 VAL 2 HG12 VAL 2 -1.002 -10.791 -6.436 10 HG13 VAL 2 HG13 VAL 2 -2.389 -10.156 -5.518 11 HG21 VAL 2 HG21 VAL 2 -2.341 -12.330 -3.338 12 HG22 VAL 2 HG22 VAL 2 -3.820 -11.787 -4.165 13 HG23 VAL 2 HG23 VAL 2 -3.382 -13.512 -4.164 14 H LYS 3 H LYS 3 -3.692 -10.970 -8.621 15 HA LYS 3 HA LYS 3 -1.673 -12.020 -10.469 16 HB2 LYS 3 HB2 LYS 3 -3.768 -9.831 -10.697 17 HB3 LYS 3 HB3 LYS 3 -2.621 -10.188 -11.981 18 HG2 LYS 3 HG2 LYS 3 -3.499 -12.483 -12.147 19 HG3 LYS 3 HG3 LYS 3 -4.642 -12.140 -10.839 20 HD2 LYS 3 HD2 LYS 3 -5.684 -10.365 -12.196 21 HD3 LYS 3 HD3 LYS 3 -4.522 -10.666 -13.497 22 HE2 LYS 3 HE2 LYS 3 -5.386 -12.922 -13.812 23 HE3 LYS 3 HE3 LYS 3 -6.454 -12.750 -12.417 24 HZ1 LYS 3 HZ1 LYS 3 -7.618 -12.398 -14.469 25 HZ2 LYS 3 HZ2 LYS 3 -7.606 -11.003 -13.591 26 HZ3 LYS 3 HZ3 LYS 3 -6.610 -11.165 -14.893 27 H GLU 4 H GLU 4 -2.440 -8.594 -9.927 28 HA GLU 4 HA GLU 4 0.380 -7.924 -10.276 29 HB2 GLU 4 HB2 GLU 4 -2.065 -6.216 -9.663 30 HB3 GLU 4 HB3 GLU 4 -0.454 -5.566 -9.934 31 HG2 GLU 4 HG2 GLU 4 -0.455 -6.535 -12.207 32 HG3 GLU 4 HG3 GLU 4 -2.083 -7.154 -11.931 33 H THR 5 H THR 5 1.800 -7.094 -8.813 34 HA THR 5 HA THR 5 0.931 -7.250 -5.957 35 HB THR 5 HB THR 5 3.245 -7.924 -5.394 36 HG1 THR 5 HG1 THR 5 4.595 -7.273 -6.929 37 HG21 THR 5 HG21 THR 5 3.180 -10.189 -6.358 38 HG22 THR 5 HG22 THR 5 1.559 -9.672 -5.841 39 HG23 THR 5 HG23 THR 5 1.993 -9.647 -7.566 40 H LYS 6 H LYS 6 1.417 -5.062 -8.212 41 HA LYS 6 HA LYS 6 3.640 -3.506 -7.538 42 HB2 LYS 6 HB2 LYS 6 2.229 -3.102 -9.526 43 HB3 LYS 6 HB3 LYS 6 0.911 -2.555 -8.499 44 HG2 LYS 6 HG2 LYS 6 2.263 -0.645 -7.746 45 HG3 LYS 6 HG3 LYS 6 3.616 -1.205 -8.739 46 HD2 LYS 6 HD2 LYS 6 2.252 -0.950 -10.774 47 HD3 LYS 6 HD3 LYS 6 0.869 -0.437 -9.795 48 HE2 LYS 6 HE2 LYS 6 2.133 1.524 -9.009 49 HE3 LYS 6 HE3 LYS 6 3.544 1.004 -9.933 50 HZ1 LYS 6 HZ1 LYS 6 2.292 2.669 -11.096 51 HZ2 LYS 6 HZ2 LYS 6 2.249 1.251 -11.939 52 HZ3 LYS 6 HZ3 LYS 6 0.931 1.738 -11.074 53 H LEU 7 H LEU 7 0.317 -3.211 -6.246 54 HA LEU 7 HA LEU 7 0.990 -0.974 -4.566 55 HB2 LEU 7 HB2 LEU 7 -1.343 -2.916 -4.451 56 HB3 LEU 7 HB3 LEU 7 -1.229 -1.421 -3.519 57 HG LEU 7 HG LEU 7 -1.443 -1.665 -6.539 58 HD11 LEU 7 HD11 LEU 7 -3.595 -0.540 -6.179 59 HD12 LEU 7 HD12 LEU 7 -3.516 -2.099 -5.324 60 HD13 LEU 7 HD13 LEU 7 -3.320 -0.577 -4.422 61 HD21 LEU 7 HD21 LEU 7 -1.502 0.806 -6.505 62 HD22 LEU 7 HD22 LEU 7 -1.197 0.791 -4.752 63 HD23 LEU 7 HD23 LEU 7 0.047 0.194 -5.877 64 H TYR 8 H TYR 8 0.880 -4.472 -4.089 65 HA TYR 8 HA TYR 8 1.288 -4.379 -1.236 66 HB2 TYR 8 HB2 TYR 8 1.879 -6.563 -3.275 67 HB3 TYR 8 HB3 TYR 8 1.983 -6.776 -1.532 68 HD1 TYR 8 HD1 TYR 8 -0.095 -7.062 -4.365 69 HD2 TYR 8 HD2 TYR 8 -0.183 -6.143 -0.176 70 HE1 TYR 8 HE1 TYR 8 -2.498 -7.633 -4.290 71 HE2 TYR 8 HE2 TYR 8 -2.586 -6.714 -0.101 72 HH TYR 8 HH TYR 8 -4.291 -7.879 -2.995 73 H ASP 9 H ASP 9 3.430 -4.338 -4.031 74 HA ASP 9 HA ASP 9 5.847 -4.740 -2.482 75 HB2 ASP 9 HB2 ASP 9 5.362 -3.666 -5.286 76 HB3 ASP 9 HB3 ASP 9 6.965 -3.886 -4.598 77 H LEU 10 H LEU 10 4.007 -1.937 -3.614 78 HA LEU 10 HA LEU 10 5.859 0.075 -2.818 79 HB2 LEU 10 HB2 LEU 10 2.831 0.047 -2.993 80 HB3 LEU 10 HB3 LEU 10 3.756 1.496 -2.588 81 HG LEU 10 HG LEU 10 4.058 -0.059 -5.181 82 HD11 LEU 10 HD11 LEU 10 2.791 1.790 -6.184 83 HD12 LEU 10 HD12 LEU 10 1.823 0.907 -4.980 84 HD13 LEU 10 HD13 LEU 10 2.529 2.488 -4.569 85 HD21 LEU 10 HD21 LEU 10 5.277 1.971 -5.889 86 HD22 LEU 10 HD22 LEU 10 5.051 2.673 -4.269 87 HD23 LEU 10 HD23 LEU 10 6.055 1.218 -4.477 88 H LEU 11 H LEU 11 3.286 -1.619 -1.035 89 HA LEU 11 HA LEU 11 3.808 -0.126 1.416 90 HB2 LEU 11 HB2 LEU 11 2.192 -2.638 0.864 91 HB3 LEU 11 HB3 LEU 11 2.259 -1.820 2.428 92 HG LEU 11 HG LEU 11 1.144 -0.654 -0.147 93 HD11 LEU 11 HD11 LEU 11 -1.007 -0.832 1.022 94 HD12 LEU 11 HD12 LEU 11 -0.242 -2.424 0.806 95 HD13 LEU 11 HD13 LEU 11 -0.196 -1.621 2.394 96 HD21 LEU 11 HD21 LEU 11 0.428 1.207 1.312 97 HD22 LEU 11 HD22 LEU 11 1.259 0.447 2.690 98 HD23 LEU 11 HD23 LEU 11 2.200 1.046 1.303 99 H GLY 12 H GLY 12 4.893 -3.117 -0.050 100 HA2 GLY 12 HA2 GLY 12 6.786 -4.375 0.533 101 HA3 GLY 12 HA3 GLY 12 7.017 -3.364 1.947 102 H VAL 13 H VAL 13 4.178 -5.281 0.905 103 HA VAL 13 HA VAL 13 4.459 -6.970 3.327 104 HB VAL 13 HB VAL 13 3.092 -5.010 4.006 105 HG11 VAL 13 HG11 VAL 13 0.895 -4.627 2.997 106 HG12 VAL 13 HG12 VAL 13 2.217 -4.389 1.828 107 HG13 VAL 13 HG13 VAL 13 1.240 -5.878 1.777 108 HG21 VAL 13 HG21 VAL 13 1.137 -6.284 4.828 109 HG22 VAL 13 HG22 VAL 13 1.497 -7.583 3.666 110 HG23 VAL 13 HG23 VAL 13 2.634 -7.231 4.987 111 H SER 14 H SER 14 3.560 -8.976 3.165 112 HA SER 14 HA SER 14 3.153 -10.049 0.565 113 HB2 SER 14 HB2 SER 14 3.874 -11.451 2.399 114 HB3 SER 14 HB3 SER 14 2.412 -11.100 3.311 115 HG SER 14 HG SER 14 2.855 -12.937 1.452 116 HA PRO 15 HA PRO 15 -1.009 -9.017 -0.209 117 HB2 PRO 15 HB2 PRO 15 -1.573 -10.821 -2.203 118 HB3 PRO 15 HB3 PRO 15 -0.503 -9.436 -2.457 119 HG2 PRO 15 HG2 PRO 15 0.230 -12.322 -1.804 120 HG3 PRO 15 HG3 PRO 15 0.906 -11.282 -3.059 121 HD2 PRO 15 HD2 PRO 15 2.165 -11.599 -0.667 122 HD3 PRO 15 HD3 PRO 15 2.184 -10.012 -1.535 123 H SER 16 H SER 16 0.066 -12.042 1.014 124 HA SER 16 HA SER 16 -2.547 -13.251 1.395 125 HB2 SER 16 HB2 SER 16 -1.391 -14.840 2.790 126 HB3 SER 16 HB3 SER 16 -0.409 -14.531 1.366 127 HG SER 16 HG SER 16 0.849 -13.156 2.553 128 H ALA 17 H ALA 17 -0.900 -10.650 2.840 129 HA ALA 17 HA ALA 17 -1.996 -10.909 5.501 130 HB1 ALA 17 HB1 ALA 17 -1.283 -8.555 5.768 131 HB2 ALA 17 HB2 ALA 17 0.006 -9.559 5.063 132 HB3 ALA 17 HB3 ALA 17 -0.942 -8.471 4.023 133 H ASN 18 H ASN 18 -3.734 -9.923 6.454 134 HA ASN 18 HA ASN 18 -5.913 -9.187 4.617 135 HB2 ASN 18 HB2 ASN 18 -7.329 -9.224 6.573 136 HB3 ASN 18 HB3 ASN 18 -6.322 -10.667 6.568 137 HD21 ASN 18 HD21 ASN 18 -5.925 -9.824 9.969 138 HD22 ASN 18 HD22 ASN 18 -6.840 -10.767 8.840 139 H GLU 19 H GLU 19 -7.390 -7.341 5.660 140 HA GLU 19 HA GLU 19 -6.057 -5.016 4.737 141 HB2 GLU 19 HB2 GLU 19 -8.623 -5.363 6.331 142 HB3 GLU 19 HB3 GLU 19 -8.082 -3.807 5.718 143 HG2 GLU 19 HG2 GLU 19 -9.555 -4.482 4.090 144 HG3 GLU 19 HG3 GLU 19 -8.011 -4.989 3.410 145 H GLN 20 H GLN 20 -6.517 -6.297 7.985 146 HA GLN 20 HA GLN 20 -5.714 -3.900 9.365 147 HB2 GLN 20 HB2 GLN 20 -5.764 -6.821 10.213 148 HB3 GLN 20 HB3 GLN 20 -5.337 -5.507 11.298 149 HG2 GLN 20 HG2 GLN 20 -7.536 -4.520 11.051 150 HG3 GLN 20 HG3 GLN 20 -7.979 -5.764 9.847 151 HE21 GLN 20 HE21 GLN 20 -9.262 -6.588 13.313 152 HE22 GLN 20 HE22 GLN 20 -9.322 -5.149 12.351 153 H GLU 21 H GLU 21 -3.978 -6.833 8.330 154 HA GLU 21 HA GLU 21 -1.450 -5.931 9.431 155 HB2 GLU 21 HB2 GLU 21 -2.158 -8.113 7.433 156 HB3 GLU 21 HB3 GLU 21 -0.524 -7.819 8.009 157 HG2 GLU 21 HG2 GLU 21 -2.892 -8.574 9.735 158 HG3 GLU 21 HG3 GLU 21 -1.622 -9.665 9.186 159 H LEU 22 H LEU 22 -3.081 -5.687 6.315 160 HA LEU 22 HA LEU 22 -0.868 -4.633 4.841 161 HB2 LEU 22 HB2 LEU 22 -3.866 -4.246 4.550 162 HB3 LEU 22 HB3 LEU 22 -2.684 -3.627 3.393 163 HG LEU 22 HG LEU 22 -3.048 -6.567 4.068 164 HD11 LEU 22 HD11 LEU 22 -4.156 -6.706 1.885 165 HD12 LEU 22 HD12 LEU 22 -5.040 -5.642 3.003 166 HD13 LEU 22 HD13 LEU 22 -4.038 -4.938 1.712 167 HD21 LEU 22 HD21 LEU 22 -1.658 -6.883 2.050 168 HD22 LEU 22 HD22 LEU 22 -1.503 -5.119 1.878 169 HD23 LEU 22 HD23 LEU 22 -0.789 -5.942 3.285 170 H LYS 23 H LYS 23 -3.340 -3.118 6.896 171 HA LYS 23 HA LYS 23 -2.550 -0.417 6.506 172 HB2 LYS 23 HB2 LYS 23 -4.608 -1.074 7.707 173 HB3 LYS 23 HB3 LYS 23 -3.646 -1.767 9.006 174 HG2 LYS 23 HG2 LYS 23 -2.767 0.440 9.582 175 HG3 LYS 23 HG3 LYS 23 -3.645 1.164 8.227 176 HD2 LYS 23 HD2 LYS 23 -5.790 0.464 9.229 177 HD3 LYS 23 HD3 LYS 23 -4.922 -0.287 10.576 178 HE2 LYS 23 HE2 LYS 23 -3.982 1.918 11.197 179 HE3 LYS 23 HE3 LYS 23 -4.851 2.666 9.855 180 HZ1 LYS 23 HZ1 LYS 23 -6.026 2.916 11.915 181 HZ2 LYS 23 HZ2 LYS 23 -6.909 1.982 10.882 182 HZ3 LYS 23 HZ3 LYS 23 -6.098 1.283 12.136 183 H LYS 24 H LYS 24 -1.377 -2.871 8.812 184 HA LYS 24 HA LYS 24 0.517 -1.237 10.140 185 HB2 LYS 24 HB2 LYS 24 0.521 -4.218 9.540 186 HB3 LYS 24 HB3 LYS 24 1.722 -3.441 10.561 187 HG2 LYS 24 HG2 LYS 24 -0.025 -2.734 12.127 188 HG3 LYS 24 HG3 LYS 24 -1.265 -3.445 11.085 189 HD2 LYS 24 HD2 LYS 24 -0.173 -5.675 11.359 190 HD3 LYS 24 HD3 LYS 24 0.989 -4.940 12.473 191 HE2 LYS 24 HE2 LYS 24 -0.822 -4.315 13.999 192 HE3 LYS 24 HE3 LYS 24 -2.024 -4.945 12.871 193 HZ1 LYS 24 HZ1 LYS 24 -1.545 -6.505 14.608 194 HZ2 LYS 24 HZ2 LYS 24 -1.067 -7.126 13.156 195 HZ3 LYS 24 HZ3 LYS 24 0.056 -6.538 14.212 196 H GLY 25 H GLY 25 0.796 -3.138 7.146 197 HA2 GLY 25 HA2 GLY 25 3.532 -2.647 6.591 198 HA3 GLY 25 HA3 GLY 25 2.293 -2.942 5.386 199 H TYR 26 H TYR 26 0.607 -0.765 5.737 200 HA TYR 26 HA TYR 26 1.943 1.325 4.350 201 HB2 TYR 26 HB2 TYR 26 -0.463 1.088 4.186 202 HB3 TYR 26 HB3 TYR 26 -0.659 1.296 5.921 203 HD1 TYR 26 HD1 TYR 26 0.915 3.133 3.049 204 HD2 TYR 26 HD2 TYR 26 -1.422 3.334 6.642 205 HE1 TYR 26 HE1 TYR 26 0.626 5.567 2.726 206 HE2 TYR 26 HE2 TYR 26 -1.711 5.767 6.319 207 HH TYR 26 HH TYR 26 -0.543 7.387 3.411 208 H ARG 27 H ARG 27 1.077 1.000 7.793 209 HA ARG 27 HA ARG 27 1.891 3.567 8.626 210 HB2 ARG 27 HB2 ARG 27 1.916 0.907 10.080 211 HB3 ARG 27 HB3 ARG 27 2.292 2.432 10.867 212 HG2 ARG 27 HG2 ARG 27 0.062 3.276 10.404 213 HG3 ARG 27 HG3 ARG 27 -0.329 1.799 9.490 214 HD2 ARG 27 HD2 ARG 27 -1.264 1.625 11.665 215 HD3 ARG 27 HD3 ARG 27 0.106 0.494 11.547 216 HE ARG 27 HE ARG 27 0.900 3.039 12.622 217 HH11 ARG 27 HH11 ARG 27 -0.657 -0.007 13.426 218 HH12 ARG 27 HH12 ARG 27 -0.235 0.081 15.121 219 HH21 ARG 27 HH21 ARG 27 1.442 3.142 14.825 220 HH22 ARG 27 HH22 ARG 27 0.954 1.863 15.914 221 H LYS 28 H LYS 28 3.777 0.565 8.283 222 HA LYS 28 HA LYS 28 6.235 1.657 9.278 223 HB2 LYS 28 HB2 LYS 28 5.645 -0.668 7.407 224 HB3 LYS 28 HB3 LYS 28 7.263 -0.272 7.966 225 HG2 LYS 28 HG2 LYS 28 6.576 -0.642 10.294 226 HG3 LYS 28 HG3 LYS 28 4.927 -0.996 9.758 227 HD2 LYS 28 HD2 LYS 28 5.782 -2.905 8.418 228 HD3 LYS 28 HD3 LYS 28 7.420 -2.558 8.990 229 HE2 LYS 28 HE2 LYS 28 6.705 -2.958 11.316 230 HE3 LYS 28 HE3 LYS 28 5.057 -3.272 10.766 231 HZ1 LYS 28 HZ1 LYS 28 6.272 -5.295 11.117 232 HZ2 LYS 28 HZ2 LYS 28 5.893 -5.142 9.518 233 HZ3 LYS 28 HZ3 LYS 28 7.433 -4.851 10.033 234 H ALA 29 H ALA 29 4.944 1.293 5.968 235 HA ALA 29 HA ALA 29 7.216 2.497 4.704 236 HB1 ALA 29 HB1 ALA 29 5.735 2.694 2.734 237 HB2 ALA 29 HB2 ALA 29 5.634 1.079 3.476 238 HB3 ALA 29 HB3 ALA 29 4.339 2.268 3.750 239 H ALA 30 H ALA 30 4.236 3.787 6.073 240 HA ALA 30 HA ALA 30 4.461 6.412 4.974 241 HB1 ALA 30 HB1 ALA 30 2.921 7.072 6.795 242 HB2 ALA 30 HB2 ALA 30 2.387 5.578 5.988 243 HB3 ALA 30 HB3 ALA 30 3.183 5.495 7.577 244 H LEU 31 H LEU 31 5.692 4.980 7.990 245 HA LEU 31 HA LEU 31 6.977 7.358 8.936 246 HB2 LEU 31 HB2 LEU 31 7.545 4.413 9.388 247 HB3 LEU 31 HB3 LEU 31 8.421 5.705 10.212 248 HG LEU 31 HG LEU 31 5.421 5.265 10.412 249 HD11 LEU 31 HD11 LEU 31 5.921 4.374 12.644 250 HD12 LEU 31 HD12 LEU 31 6.663 3.389 11.361 251 HD13 LEU 31 HD13 LEU 31 7.664 4.516 12.310 252 HD21 LEU 31 HD21 LEU 31 5.629 6.844 12.303 253 HD22 LEU 31 HD22 LEU 31 7.368 7.022 11.965 254 HD23 LEU 31 HD23 LEU 31 6.169 7.593 10.780 255 H LYS 32 H LYS 32 8.033 4.712 6.812 256 HA LYS 32 HA LYS 32 10.759 5.442 6.598 257 HB2 LYS 32 HB2 LYS 32 9.819 3.316 5.735 258 HB3 LYS 32 HB3 LYS 32 8.950 4.197 4.486 259 HG2 LYS 32 HG2 LYS 32 11.065 4.910 3.478 260 HG3 LYS 32 HG3 LYS 32 11.969 4.100 4.765 261 HD2 LYS 32 HD2 LYS 32 11.001 1.928 4.083 262 HD3 LYS 32 HD3 LYS 32 10.095 2.738 2.795 263 HE2 LYS 32 HE2 LYS 32 12.215 3.475 1.761 264 HE3 LYS 32 HE3 LYS 32 13.125 2.680 3.049 265 HZ1 LYS 32 HZ1 LYS 32 12.992 1.321 1.094 266 HZ2 LYS 32 HZ2 LYS 32 12.192 0.587 2.337 267 HZ3 LYS 32 HZ3 LYS 32 11.343 1.330 1.133 268 H TYR 33 H TYR 33 7.929 6.551 4.745 269 HA TYR 33 HA TYR 33 9.709 8.535 3.402 270 HB2 TYR 33 HB2 TYR 33 6.962 7.521 2.565 271 HB3 TYR 33 HB3 TYR 33 7.932 8.694 1.684 272 HD1 TYR 33 HD1 TYR 33 7.034 5.327 1.882 273 HD2 TYR 33 HD2 TYR 33 10.421 7.858 1.151 274 HE1 TYR 33 HE1 TYR 33 8.141 3.491 0.653 275 HE2 TYR 33 HE2 TYR 33 11.528 6.021 -0.079 276 HH TYR 33 HH TYR 33 11.304 3.966 -0.910 277 H HIS 34 H HIS 34 8.540 8.725 6.125 278 HA HIS 34 HA HIS 34 6.274 10.493 6.074 279 HB2 HIS 34 HB2 HIS 34 7.195 9.096 8.044 280 HB3 HIS 34 HB3 HIS 34 8.353 10.398 8.272 281 HD2 HIS 34 HD2 HIS 34 4.789 9.514 9.277 282 HE1 HIS 34 HE1 HIS 34 5.262 13.685 10.018 283 HE2 HIS 34 HE2 HIS 34 3.791 11.639 10.403 284 HA PRO 35 HA PRO 35 7.970 14.094 4.466 285 HB2 PRO 35 HB2 PRO 35 5.973 15.384 6.383 286 HB3 PRO 35 HB3 PRO 35 6.284 15.772 4.687 287 HG2 PRO 35 HG2 PRO 35 4.160 14.283 5.260 288 HG3 PRO 35 HG3 PRO 35 5.175 13.818 3.890 289 HD2 PRO 35 HD2 PRO 35 5.072 12.646 6.689 290 HD3 PRO 35 HD3 PRO 35 5.282 11.803 5.102 291 H ASP 36 H ASP 36 7.556 13.675 7.959 292 HA ASP 36 HA ASP 36 9.265 16.023 8.528 293 HB2 ASP 36 HB2 ASP 36 7.643 14.187 10.334 294 HB3 ASP 36 HB3 ASP 36 8.645 15.506 10.925 295 H LYS 37 H LYS 37 9.950 13.044 7.606 296 HA LYS 37 HA LYS 37 12.180 12.724 9.565 297 HB2 LYS 37 HB2 LYS 37 10.981 10.709 7.622 298 HB3 LYS 37 HB3 LYS 37 12.360 10.400 8.669 299 HG2 LYS 37 HG2 LYS 37 9.582 11.115 9.651 300 HG3 LYS 37 HG3 LYS 37 10.233 9.474 9.535 301 HD2 LYS 37 HD2 LYS 37 12.085 10.140 11.077 302 HD3 LYS 37 HD3 LYS 37 11.335 11.733 11.245 303 HE2 LYS 37 HE2 LYS 37 9.271 10.644 12.114 304 HE3 LYS 37 HE3 LYS 37 10.071 9.074 12.001 305 HZ1 LYS 37 HZ1 LYS 37 10.197 9.973 14.208 306 HZ2 LYS 37 HZ2 LYS 37 11.713 9.863 13.563 307 HZ3 LYS 37 HZ3 LYS 37 10.964 11.330 13.669 308 HA PRO 38 HA PRO 38 15.262 13.875 6.798 309 HB2 PRO 38 HB2 PRO 38 16.559 11.178 7.353 310 HB3 PRO 38 HB3 PRO 38 17.281 12.790 7.412 311 HG2 PRO 38 HG2 PRO 38 16.622 11.626 9.710 312 HG3 PRO 38 HG3 PRO 38 16.243 13.337 9.484 313 HD2 PRO 38 HD2 PRO 38 14.411 10.917 9.244 314 HD3 PRO 38 HD3 PRO 38 14.083 12.526 10.005 315 H THR 39 H THR 39 13.918 10.616 6.505 316 HA THR 39 HA THR 39 14.802 10.459 3.671 317 HB THR 39 HB THR 39 14.079 8.078 3.802 318 HG1 THR 39 HG1 THR 39 12.578 7.861 5.322 319 HG21 THR 39 HG21 THR 39 15.829 7.319 5.363 320 HG22 THR 39 HG22 THR 39 16.399 8.693 4.386 321 HG23 THR 39 HG23 THR 39 15.906 8.947 6.075 322 H GLY 40 H GLY 40 12.537 12.127 4.855 323 HA2 GLY 40 HA2 GLY 40 10.028 11.043 4.070 324 HA3 GLY 40 HA3 GLY 40 10.396 12.750 4.226 325 H ASP 41 H ASP 41 8.857 11.111 2.191 326 HA ASP 41 HA ASP 41 9.934 12.477 -0.175 327 HB2 ASP 41 HB2 ASP 41 11.164 10.304 -0.149 328 HB3 ASP 41 HB3 ASP 41 9.628 9.447 -0.147 329 H THR 42 H THR 42 8.165 13.572 -0.708 330 HA THR 42 HA THR 42 5.535 12.780 0.020 331 HB THR 42 HB THR 42 6.440 14.767 -2.107 332 HG1 THR 42 HG1 THR 42 5.751 16.189 -0.253 333 HG21 THR 42 HG21 THR 42 4.188 15.731 -1.855 334 HG22 THR 42 HG22 THR 42 4.099 14.052 -2.441 335 HG23 THR 42 HG23 THR 42 3.747 14.419 -0.737 336 H GLU 43 H GLU 43 7.320 12.450 -3.035 337 HA GLU 43 HA GLU 43 5.152 11.548 -4.624 338 HB2 GLU 43 HB2 GLU 43 7.335 12.240 -5.555 339 HB3 GLU 43 HB3 GLU 43 8.108 10.843 -4.820 340 HG2 GLU 43 HG2 GLU 43 6.790 9.339 -6.221 341 HG3 GLU 43 HG3 GLU 43 5.937 10.713 -6.923 342 H LYS 44 H LYS 44 7.592 9.661 -2.809 343 HA LYS 44 HA LYS 44 6.371 7.129 -3.466 344 HB2 LYS 44 HB2 LYS 44 8.335 7.886 -1.265 345 HB3 LYS 44 HB3 LYS 44 7.882 6.238 -1.676 346 HG2 LYS 44 HG2 LYS 44 9.322 8.208 -3.477 347 HG3 LYS 44 HG3 LYS 44 10.021 6.798 -2.668 348 HD2 LYS 44 HD2 LYS 44 7.727 6.598 -4.647 349 HD3 LYS 44 HD3 LYS 44 9.427 6.491 -5.125 350 HE2 LYS 44 HE2 LYS 44 9.720 4.583 -3.541 351 HE3 LYS 44 HE3 LYS 44 7.997 4.662 -3.162 352 HZ1 LYS 44 HZ1 LYS 44 8.461 3.012 -4.821 353 HZ2 LYS 44 HZ2 LYS 44 7.527 4.207 -5.471 354 HZ3 LYS 44 HZ3 LYS 44 9.137 4.132 -5.825 355 H PHE 45 H PHE 45 6.055 9.411 -0.793 356 HA PHE 45 HA PHE 45 4.500 7.754 0.929 357 HB2 PHE 45 HB3 PHE 45 5.547 10.002 1.494 358 HB3 PHE 45 HB2 PHE 45 4.244 10.765 0.595 359 HD1 PHE 45 HD1 PHE 45 2.015 10.887 1.480 360 HD2 PHE 45 HD2 PHE 45 5.091 8.807 3.593 361 HE1 PHE 45 HE1 PHE 45 0.590 10.835 3.499 362 HE2 PHE 45 HE2 PHE 45 3.668 8.752 5.614 363 HZ PHE 45 HZ PHE 45 1.416 9.768 5.566 364 H LYS 46 H LYS 46 3.592 9.918 -1.748 365 HA LYS 46 HA LYS 46 0.768 9.557 -1.507 366 HB2 LYS 46 HB2 LYS 46 1.817 11.332 -2.887 367 HB3 LYS 46 HB3 LYS 46 2.440 10.114 -3.990 368 HG2 LYS 46 HG2 LYS 46 0.184 9.491 -4.656 369 HG3 LYS 46 HG3 LYS 46 -0.504 10.598 -3.461 370 HD2 LYS 46 HD2 LYS 46 0.634 12.500 -4.624 371 HD3 LYS 46 HD3 LYS 46 1.200 11.365 -5.859 372 HE2 LYS 46 HE2 LYS 46 -1.731 11.754 -5.171 373 HE3 LYS 46 HE3 LYS 46 -0.904 12.652 -6.446 374 HZ1 LYS 46 HZ1 LYS 46 -2.028 10.732 -7.307 375 HZ2 LYS 46 HZ2 LYS 46 -0.399 10.563 -7.511 376 HZ3 LYS 46 HZ3 LYS 46 -1.174 9.723 -6.322 377 H GLU 47 H GLU 47 3.257 7.744 -3.286 378 HA GLU 47 HA GLU 47 1.488 6.063 -4.736 379 HB2 GLU 47 HB2 GLU 47 4.334 5.644 -3.753 380 HB3 GLU 47 HB3 GLU 47 3.498 4.473 -4.762 381 HG2 GLU 47 HG2 GLU 47 3.244 6.150 -6.530 382 HG3 GLU 47 HG3 GLU 47 4.036 7.354 -5.517 383 H ILE 48 H ILE 48 3.018 5.623 -1.543 384 HA ILE 48 HA ILE 48 1.859 2.991 -1.178 385 HB ILE 48 HB ILE 48 2.734 3.167 1.130 386 HG12 ILE 48 HG12 ILE 48 3.535 5.997 0.427 387 HG13 ILE 48 HG13 ILE 48 2.133 5.586 1.402 388 HG21 ILE 48 HG21 ILE 48 5.111 3.468 0.573 389 HG22 ILE 48 HG22 ILE 48 4.274 2.532 -0.687 390 HG23 ILE 48 HG23 ILE 48 4.657 4.247 -0.963 391 HD11 ILE 48 HD11 ILE 48 4.024 6.197 2.803 392 HD12 ILE 48 HD12 ILE 48 3.586 4.490 3.053 393 HD13 ILE 48 HD13 ILE 48 5.006 4.910 2.068 394 H SER 49 H SER 49 0.866 6.268 -0.515 395 HA SER 49 HA SER 49 -1.255 5.590 1.325 396 HB2 SER 49 HB2 SER 49 -0.812 7.983 -0.488 397 HB3 SER 49 HB3 SER 49 -2.127 7.866 0.670 398 HG SER 49 HG SER 49 0.625 8.000 1.093 399 H GLU 50 H GLU 50 -1.071 6.043 -2.206 400 HA GLU 50 HA GLU 50 -3.807 5.434 -2.749 401 HB2 GLU 50 HB2 GLU 50 -1.263 5.093 -4.372 402 HB3 GLU 50 HB3 GLU 50 -2.845 4.669 -5.008 403 HG2 GLU 50 HG2 GLU 50 -3.610 6.946 -4.817 404 HG3 GLU 50 HG3 GLU 50 -2.141 7.418 -3.965 405 H ALA 51 H ALA 51 -0.912 3.353 -2.539 406 HA ALA 51 HA ALA 51 -2.209 0.898 -3.078 407 HB1 ALA 51 HB1 ALA 51 -0.314 -0.142 -1.875 408 HB2 ALA 51 HB2 ALA 51 0.234 1.129 -2.992 409 HB3 ALA 51 HB3 ALA 51 0.153 1.454 -1.246 410 H PHE 52 H PHE 52 -1.756 2.640 -0.008 411 HA PHE 52 HA PHE 52 -2.910 0.673 1.685 412 HB2 PHE 52 HB3 PHE 52 -1.703 2.521 2.654 413 HB3 PHE 52 HB2 PHE 52 -2.763 3.700 1.898 414 HD1 PHE 52 HD1 PHE 52 -3.034 0.736 4.175 415 HD2 PHE 52 HD2 PHE 52 -4.349 4.689 3.227 416 HE1 PHE 52 HE1 PHE 52 -4.460 0.742 6.194 417 HE2 PHE 52 HE2 PHE 52 -5.776 4.700 5.247 418 HZ PHE 52 HZ PHE 52 -5.832 2.725 6.730 419 H GLU 53 H GLU 53 -4.440 3.587 0.252 420 HA GLU 53 HA GLU 53 -6.996 3.110 1.367 421 HB2 GLU 53 HB2 GLU 53 -6.160 5.256 0.294 422 HB3 GLU 53 HB3 GLU 53 -6.424 4.508 -1.275 423 HG2 GLU 53 HG2 GLU 53 -8.669 4.652 0.717 424 HG3 GLU 53 HG3 GLU 53 -8.228 6.068 -0.235 425 H ILE 54 H ILE 54 -5.640 2.156 -1.787 426 HA ILE 54 HA ILE 54 -8.058 0.997 -2.788 427 HB ILE 54 HB ILE 54 -5.134 0.543 -3.497 428 HG12 ILE 54 HG12 ILE 54 -7.310 1.946 -5.056 429 HG13 ILE 54 HG13 ILE 54 -6.241 2.778 -3.937 430 HG21 ILE 54 HG21 ILE 54 -5.957 -0.626 -5.501 431 HG22 ILE 54 HG22 ILE 54 -6.428 -1.489 -4.018 432 HG23 ILE 54 HG23 ILE 54 -7.624 -0.505 -4.891 433 HD11 ILE 54 HD11 ILE 54 -5.450 2.987 -6.226 434 HD12 ILE 54 HD12 ILE 54 -4.290 2.059 -5.246 435 HD13 ILE 54 HD13 ILE 54 -5.373 1.217 -6.381 436 H LEU 55 H LEU 55 -5.316 -0.336 -0.964 437 HA LEU 55 HA LEU 55 -6.473 -3.039 -1.092 438 HB2 LEU 55 HB2 LEU 55 -3.995 -1.969 0.305 439 HB3 LEU 55 HB3 LEU 55 -4.462 -3.672 0.229 440 HG LEU 55 HG LEU 55 -3.742 -1.939 -2.164 441 HD11 LEU 55 HD11 LEU 55 -1.695 -3.293 -2.213 442 HD12 LEU 55 HD12 LEU 55 -1.832 -2.363 -0.701 443 HD13 LEU 55 HD13 LEU 55 -2.196 -4.106 -0.712 444 HD21 LEU 55 HD21 LEU 55 -3.772 -4.094 -3.372 445 HD22 LEU 55 HD22 LEU 55 -4.302 -4.920 -1.888 446 HD23 LEU 55 HD23 LEU 55 -5.367 -3.730 -2.674 447 H ASN 56 H ASN 56 -6.758 -0.288 0.870 448 HA ASN 56 HA ASN 56 -7.338 -1.663 3.362 449 HB2 ASN 56 HB2 ASN 56 -6.639 0.714 3.267 450 HB3 ASN 56 HB3 ASN 56 -8.130 1.115 2.426 451 HD21 ASN 56 HD21 ASN 56 -9.850 1.638 5.361 452 HD22 ASN 56 HD22 ASN 56 -9.584 2.004 3.691 453 H ASP 57 H ASP 57 -9.394 -0.139 0.857 454 HA ASP 57 HA ASP 57 -11.837 -1.249 1.881 455 HB2 ASP 57 HB2 ASP 57 -11.727 0.678 0.295 456 HB3 ASP 57 HB3 ASP 57 -11.153 -0.407 -0.964 457 HA PRO 58 HA PRO 58 -10.915 -5.466 0.981 458 HB2 PRO 58 HB2 PRO 58 -13.937 -5.559 1.371 459 HB3 PRO 58 HB3 PRO 58 -12.705 -6.661 2.000 460 HG2 PRO 58 HG2 PRO 58 -13.696 -4.828 3.647 461 HG3 PRO 58 HG3 PRO 58 -11.952 -5.106 3.643 462 HD2 PRO 58 HD2 PRO 58 -13.543 -2.872 2.330 463 HD3 PRO 58 HD3 PRO 58 -11.960 -2.787 3.202 464 H GLN 59 H GLN 59 -13.588 -3.599 -0.443 465 HA GLN 59 HA GLN 59 -14.138 -5.452 -2.579 466 HB2 GLN 59 HB2 GLN 59 -15.763 -3.737 -1.763 467 HB3 GLN 59 HB3 GLN 59 -14.730 -2.470 -2.411 468 HG2 GLN 59 HG2 GLN 59 -16.545 -2.873 -3.924 469 HG3 GLN 59 HG3 GLN 59 -15.026 -3.432 -4.681 470 HE21 GLN 59 HE21 GLN 59 -16.372 -6.531 -5.412 471 HE22 GLN 59 HE22 GLN 59 -15.354 -5.197 -5.848 472 H LYS 60 H LYS 60 -12.192 -2.477 -2.349 473 HA LYS 60 HA LYS 60 -11.432 -2.524 -5.137 474 HB2 LYS 60 HB2 LYS 60 -10.294 -1.080 -2.717 475 HB3 LYS 60 HB3 LYS 60 -9.654 -0.877 -4.340 476 HG2 LYS 60 HG2 LYS 60 -11.869 -0.062 -5.100 477 HG3 LYS 60 HG3 LYS 60 -12.477 -0.229 -3.448 478 HD2 LYS 60 HD2 LYS 60 -10.721 1.358 -2.666 479 HD3 LYS 60 HD3 LYS 60 -10.188 1.560 -4.342 480 HE2 LYS 60 HE2 LYS 60 -12.461 2.380 -4.943 481 HE3 LYS 60 HE3 LYS 60 -12.947 2.230 -3.252 482 HZ1 LYS 60 HZ1 LYS 60 -12.298 4.461 -3.788 483 HZ2 LYS 60 HZ2 LYS 60 -11.251 3.830 -2.683 484 HZ3 LYS 60 HZ3 LYS 60 -10.797 3.971 -4.263 485 H ARG 61 H ARG 61 -10.020 -3.781 -2.148 486 HA ARG 61 HA ARG 61 -7.517 -4.596 -3.243 487 HB2 ARG 61 HB2 ARG 61 -7.994 -4.544 -0.823 488 HB3 ARG 61 HB3 ARG 61 -9.149 -5.855 -1.009 489 HG2 ARG 61 HG2 ARG 61 -7.375 -7.385 -1.658 490 HG3 ARG 61 HG3 ARG 61 -6.185 -6.062 -1.601 491 HD2 ARG 61 HD2 ARG 61 -6.041 -7.356 0.399 492 HD3 ARG 61 HD3 ARG 61 -6.717 -5.755 0.784 493 HE ARG 61 HE ARG 61 -8.645 -6.764 1.478 494 HH11 ARG 61 HH11 ARG 61 -6.838 -9.039 -0.498 495 HH12 ARG 61 HH12 ARG 61 -7.910 -10.379 -0.157 496 HH21 ARG 61 HH21 ARG 61 -10.031 -8.509 1.911 497 HH22 ARG 61 HH22 ARG 61 -9.718 -10.081 1.205 498 H GLU 62 H GLU 62 -10.612 -6.355 -2.885 499 HA GLU 62 HA GLU 62 -9.810 -8.758 -4.150 500 HB2 GLU 62 HB2 GLU 62 -11.952 -8.487 -2.935 501 HB3 GLU 62 HB3 GLU 62 -12.534 -7.393 -4.182 502 HG2 GLU 62 HG2 GLU 62 -12.457 -9.196 -5.833 503 HG3 GLU 62 HG3 GLU 62 -11.811 -10.299 -4.620 504 H ILE 63 H ILE 63 -11.274 -5.813 -5.554 505 HA ILE 63 HA ILE 63 -11.316 -6.719 -8.242 506 HB ILE 63 HB ILE 63 -11.093 -3.927 -7.054 507 HG12 ILE 63 HG12 ILE 63 -13.418 -5.275 -8.438 508 HG13 ILE 63 HG13 ILE 63 -13.170 -5.322 -6.700 509 HG21 ILE 63 HG21 ILE 63 -11.647 -3.082 -9.300 510 HG22 ILE 63 HG22 ILE 63 -10.082 -3.930 -9.302 511 HG23 ILE 63 HG23 ILE 63 -11.531 -4.734 -9.954 512 HD11 ILE 63 HD11 ILE 63 -14.747 -3.576 -7.314 513 HD12 ILE 63 HD12 ILE 63 -13.276 -2.869 -6.605 514 HD13 ILE 63 HD13 ILE 63 -13.527 -2.821 -8.366 515 H TYR 64 H TYR 64 -8.783 -5.042 -6.386 516 HA TYR 64 HA TYR 64 -6.931 -4.728 -8.517 517 HB2 TYR 64 HB2 TYR 64 -6.658 -3.603 -6.349 518 HB3 TYR 64 HB3 TYR 64 -6.436 -5.150 -5.544 519 HD1 TYR 64 HD1 TYR 64 -4.967 -3.021 -8.243 520 HD2 TYR 64 HD2 TYR 64 -4.308 -6.025 -5.252 521 HE1 TYR 64 HE1 TYR 64 -2.532 -2.880 -8.639 522 HE2 TYR 64 HE2 TYR 64 -1.872 -5.884 -5.648 523 HH TYR 64 HH TYR 64 -0.538 -3.789 -8.180 524 H ASP 65 H ASP 65 -7.274 -7.378 -6.144 525 HA ASP 65 HA ASP 65 -5.079 -8.906 -7.112 526 HB2 ASP 65 HB2 ASP 65 -7.609 -9.737 -5.644 527 HB3 ASP 65 HB3 ASP 65 -6.283 -10.840 -5.984 528 H GLN 66 H GLN 66 -8.471 -8.754 -8.105 529 HA GLN 66 HA GLN 66 -8.208 -11.200 -9.708 530 HB2 GLN 66 HB2 GLN 66 -10.510 -9.263 -9.261 531 HB3 GLN 66 HB3 GLN 66 -10.616 -10.665 -10.314 532 HG2 GLN 66 HG2 GLN 66 -10.191 -12.154 -8.436 533 HG3 GLN 66 HG3 GLN 66 -10.006 -10.746 -7.351 534 HE21 GLN 66 HE21 GLN 66 -13.457 -12.188 -7.067 535 HE22 GLN 66 HE22 GLN 66 -11.859 -12.841 -6.924 536 H TYR 67 H TYR 67 -8.266 -7.714 -10.196 537 HA TYR 67 HA TYR 67 -8.315 -8.190 -13.148 538 HB2 TYR 67 HB2 TYR 67 -9.548 -5.876 -11.599 539 HB3 TYR 67 HB3 TYR 67 -9.516 -6.025 -13.350 540 HD1 TYR 67 HD1 TYR 67 -10.636 -8.122 -14.378 541 HD2 TYR 67 HD2 TYR 67 -11.314 -6.755 -10.368 542 HE1 TYR 67 HE1 TYR 67 -12.761 -9.381 -14.307 543 HE2 TYR 67 HE2 TYR 67 -13.439 -8.014 -10.298 544 HH TYR 67 HH TYR 67 -14.521 -9.954 -13.077 545 H GLY 68 H GLY 68 -7.295 -5.914 -10.589 546 HA2 GLY 68 HA2 GLY 68 -4.757 -5.623 -10.648 547 HA3 GLY 68 HA3 GLY 68 -4.968 -5.198 -12.336 548 H LEU 69 H LEU 69 -3.793 -3.230 -11.441 549 HA LEU 69 HA LEU 69 -5.000 -1.555 -9.481 550 HB2 LEU 69 HB2 LEU 69 -2.624 -1.422 -10.083 551 HB3 LEU 69 HB3 LEU 69 -3.047 -0.872 -11.707 552 HG LEU 69 HG LEU 69 -4.001 1.206 -10.740 553 HD11 LEU 69 HD11 LEU 69 -3.601 1.713 -8.372 554 HD12 LEU 69 HD12 LEU 69 -4.664 0.300 -8.571 555 HD13 LEU 69 HD13 LEU 69 -2.955 0.073 -8.129 556 HD21 LEU 69 HD21 LEU 69 -1.829 2.186 -10.084 557 HD22 LEU 69 HD22 LEU 69 -1.155 0.553 -9.866 558 HD23 LEU 69 HD23 LEU 69 -1.646 1.106 -11.486 559 H GLU 70 H GLU 70 -5.084 -1.445 -13.046 560 HA GLU 70 HA GLU 70 -6.368 1.006 -13.393 561 HB2 GLU 70 HB2 GLU 70 -5.512 -0.382 -15.251 562 HB3 GLU 70 HB3 GLU 70 -6.790 -1.557 -14.982 563 HG2 GLU 70 HG2 GLU 70 -8.478 0.137 -15.559 564 HG3 GLU 70 HG3 GLU 70 -7.199 1.320 -15.826 565 H ALA 71 H ALA 71 -7.935 -2.193 -13.018 566 HA ALA 71 HA ALA 71 -10.591 -1.122 -12.994 567 HB1 ALA 71 HB1 ALA 71 -11.239 -3.344 -12.123 568 HB2 ALA 71 HB2 ALA 71 -10.131 -3.476 -13.510 569 HB3 ALA 71 HB3 ALA 71 -9.523 -3.732 -11.858 570 H ALA 72 H ALA 72 -8.243 -1.833 -10.441 571 HA ALA 72 HA ALA 72 -10.030 -1.508 -8.249 572 HB1 ALA 72 HB1 ALA 72 -7.981 -1.185 -6.900 573 HB2 ALA 72 HB2 ALA 72 -7.827 -2.563 -8.016 574 HB3 ALA 72 HB3 ALA 72 -7.033 -1.018 -8.396 575 H ARG 73 H ARG 73 -8.071 0.807 -10.076 576 HA ARG 73 HA ARG 73 -8.649 3.048 -8.357 577 HB2 ARG 73 HB2 ARG 73 -7.739 2.871 -11.245 578 HB3 ARG 73 HB3 ARG 73 -7.928 4.391 -10.385 579 HG2 ARG 73 HG2 ARG 73 -6.210 3.762 -8.793 580 HG3 ARG 73 HG3 ARG 73 -6.070 2.153 -9.542 581 HD2 ARG 73 HD2 ARG 73 -4.295 3.514 -10.329 582 HD3 ARG 73 HD3 ARG 73 -5.451 3.275 -11.661 583 HE ARG 73 HE ARG 73 -5.973 5.682 -10.164 584 HH11 ARG 73 HH11 ARG 73 -3.978 4.279 -12.693 585 HH12 ARG 73 HH12 ARG 73 -3.671 5.814 -13.476 586 HH21 ARG 73 HH21 ARG 73 -5.566 7.668 -11.189 587 HH22 ARG 73 HH22 ARG 73 -4.570 7.732 -12.625 588 H SER 74 H SER 74 -10.147 1.713 -11.288 589 HA SER 74 HA SER 74 -12.094 3.857 -11.503 590 HB2 SER 74 HB2 SER 74 -13.117 2.465 -13.215 591 HB3 SER 74 HB3 SER 74 -11.376 2.507 -13.443 592 HG SER 74 HG SER 74 -12.982 0.445 -13.009 593 H GLY 75 H GLY 75 -11.829 0.929 -9.674 594 HA2 GLY 75 HA2 GLY 75 -13.242 0.242 -7.913 595 HA3 GLY 75 HA3 GLY 75 -14.431 1.434 -8.401 596 H GLY 76 H GLY 76 -13.024 -0.710 -10.781 597 HA2 GLY 76 HA2 GLY 76 -14.617 -2.960 -10.786 598 HA3 GLY 76 HA3 GLY 76 -15.679 -1.738 -11.462 599 HA PRO 77 HA PRO 77 -12.358 -3.336 -14.487 600 HB2 PRO 77 HB2 PRO 77 -13.528 -5.573 -15.588 601 HB3 PRO 77 HB3 PRO 77 -12.497 -5.646 -14.154 602 HG2 PRO 77 HG2 PRO 77 -15.538 -5.536 -14.316 603 HG3 PRO 77 HG3 PRO 77 -14.533 -6.630 -13.360 604 HD2 PRO 77 HD2 PRO 77 -15.630 -4.412 -12.242 605 HD3 PRO 77 HD3 PRO 77 -13.979 -4.975 -11.767 606 H SER 78 H SER 78 -15.822 -2.950 -14.494 607 HA SER 78 HA SER 78 -15.951 -2.464 -17.399 608 HB2 SER 78 HB2 SER 78 -18.316 -2.164 -17.054 609 HB3 SER 78 HB3 SER 78 -17.804 -3.595 -16.173 610 HG SER 78 HG SER 78 -18.691 -1.160 -15.277 611 H PHE 79 H PHE 79 -16.878 -0.469 -18.246 612 HA PHE 79 HA PHE 79 -16.267 1.906 -16.550 613 HB2 PHE 79 HB3 PHE 79 -15.387 1.505 -19.438 614 HB3 PHE 79 HB2 PHE 79 -15.225 2.999 -18.530 615 HD1 PHE 79 HD1 PHE 79 -13.908 -0.349 -19.077 616 HD2 PHE 79 HD2 PHE 79 -13.637 3.161 -16.656 617 HE1 PHE 79 HE1 PHE 79 -11.713 -1.105 -18.229 618 HE2 PHE 79 HE2 PHE 79 -11.440 2.409 -15.806 619 HZ PHE 79 HZ PHE 79 -10.479 0.273 -16.593 620 H GLY 80 H GLY 80 -17.383 3.809 -17.071 621 HA2 GLY 80 HA2 GLY 80 -19.102 4.295 -19.210 622 HA3 GLY 80 HA3 GLY 80 -20.065 3.345 -18.093 623 HA PRO 81 HA PRO 81 -20.286 7.916 -17.076 624 HB2 PRO 81 HB2 PRO 81 -23.168 7.000 -16.783 625 HB3 PRO 81 HB3 PRO 81 -22.545 8.525 -17.428 626 HG2 PRO 81 HG2 PRO 81 -23.391 6.680 -19.149 627 HG3 PRO 81 HG3 PRO 81 -21.893 7.547 -19.499 628 HD2 PRO 81 HD2 PRO 81 -22.266 4.760 -18.326 629 HD3 PRO 81 HD3 PRO 81 -21.100 5.318 -19.591 Start of MODEL 2 1 HA SER 1 HA SER 1 -5.558 -15.623 -6.107 2 HB2 SER 1 HB2 SER 1 -4.276 -15.991 -8.102 3 HB3 SER 1 HB3 SER 1 -5.804 -16.839 -8.281 4 HG SER 1 HG SER 1 -5.455 -14.215 -9.189 5 H VAL 2 H VAL 2 -3.469 -14.380 -7.016 6 HA VAL 2 HA VAL 2 -4.183 -11.489 -6.782 7 HB VAL 2 HB VAL 2 -1.594 -12.901 -6.009 8 HG11 VAL 2 HG11 VAL 2 -1.000 -10.773 -4.960 9 HG12 VAL 2 HG12 VAL 2 -1.220 -10.610 -6.718 10 HG13 VAL 2 HG13 VAL 2 -2.487 -10.040 -5.606 11 HG21 VAL 2 HG21 VAL 2 -2.322 -12.444 -3.690 12 HG22 VAL 2 HG22 VAL 2 -3.849 -11.769 -4.304 13 HG23 VAL 2 HG23 VAL 2 -3.483 -13.495 -4.533 14 H LYS 3 H LYS 3 -4.253 -10.717 -8.812 15 HA LYS 3 HA LYS 3 -2.533 -11.690 -10.919 16 HB2 LYS 3 HB2 LYS 3 -4.779 -10.747 -11.360 17 HB3 LYS 3 HB3 LYS 3 -4.248 -9.178 -10.771 18 HG2 LYS 3 HG2 LYS 3 -2.656 -8.982 -12.614 19 HG3 LYS 3 HG3 LYS 3 -3.084 -10.601 -13.182 20 HD2 LYS 3 HD2 LYS 3 -5.388 -9.877 -13.609 21 HD3 LYS 3 HD3 LYS 3 -5.028 -8.273 -12.954 22 HE2 LYS 3 HE2 LYS 3 -3.373 -7.899 -14.743 23 HE3 LYS 3 HE3 LYS 3 -3.691 -9.512 -15.389 24 HZ1 LYS 3 HZ1 LYS 3 -4.899 -7.833 -16.577 25 HZ2 LYS 3 HZ2 LYS 3 -5.956 -8.836 -15.804 26 HZ3 LYS 3 HZ3 LYS 3 -5.659 -7.329 -15.203 27 H GLU 4 H GLU 4 -2.714 -8.481 -9.326 28 HA GLU 4 HA GLU 4 0.151 -8.105 -10.088 29 HB2 GLU 4 HB2 GLU 4 -2.033 -6.048 -9.564 30 HB3 GLU 4 HB3 GLU 4 -0.343 -5.652 -9.841 31 HG2 GLU 4 HG2 GLU 4 -0.472 -6.668 -12.082 32 HG3 GLU 4 HG3 GLU 4 -2.170 -7.053 -11.804 33 H THR 5 H THR 5 1.614 -7.289 -8.611 34 HA THR 5 HA THR 5 0.688 -7.419 -5.770 35 HB THR 5 HB THR 5 2.937 -8.314 -5.191 36 HG1 THR 5 HG1 THR 5 4.364 -7.884 -6.716 37 HG21 THR 5 HG21 THR 5 2.622 -10.569 -6.136 38 HG22 THR 5 HG22 THR 5 1.068 -9.875 -5.614 39 HG23 THR 5 HG23 THR 5 1.493 -9.911 -7.342 40 H LYS 6 H LYS 6 1.371 -5.244 -7.950 41 HA LYS 6 HA LYS 6 3.702 -3.872 -7.157 42 HB2 LYS 6 HB2 LYS 6 2.450 -3.354 -9.220 43 HB3 LYS 6 HB3 LYS 6 1.106 -2.735 -8.271 44 HG2 LYS 6 HG2 LYS 6 2.518 -0.922 -7.410 45 HG3 LYS 6 HG3 LYS 6 3.900 -1.558 -8.312 46 HD2 LYS 6 HD2 LYS 6 2.700 -1.203 -10.434 47 HD3 LYS 6 HD3 LYS 6 1.288 -0.609 -9.548 48 HE2 LYS 6 HE2 LYS 6 2.615 1.262 -8.652 49 HE3 LYS 6 HE3 LYS 6 4.051 0.661 -9.485 50 HZ1 LYS 6 HZ1 LYS 6 2.990 2.410 -10.709 51 HZ2 LYS 6 HZ2 LYS 6 2.915 1.005 -11.570 52 HZ3 LYS 6 HZ3 LYS 6 1.574 1.567 -10.793 53 H LEU 7 H LEU 7 0.338 -3.407 -6.035 54 HA LEU 7 HA LEU 7 1.024 -1.206 -4.316 55 HB2 LEU 7 HB2 LEU 7 -1.383 -3.061 -4.315 56 HB3 LEU 7 HB3 LEU 7 -1.254 -1.577 -3.364 57 HG LEU 7 HG LEU 7 -1.333 -1.783 -6.394 58 HD11 LEU 7 HD11 LEU 7 -3.470 -0.606 -6.126 59 HD12 LEU 7 HD12 LEU 7 -3.475 -2.178 -5.291 60 HD13 LEU 7 HD13 LEU 7 -3.286 -0.674 -4.357 61 HD21 LEU 7 HD21 LEU 7 -1.329 0.688 -6.326 62 HD22 LEU 7 HD22 LEU 7 -1.114 0.639 -4.559 63 HD23 LEU 7 HD23 LEU 7 0.169 0.026 -5.629 64 H TYR 8 H TYR 8 0.781 -4.699 -3.861 65 HA TYR 8 HA TYR 8 1.035 -4.662 -0.999 66 HB2 TYR 8 HB2 TYR 8 1.713 -6.784 -3.072 67 HB3 TYR 8 HB3 TYR 8 1.822 -7.052 -1.338 68 HD1 TYR 8 HD1 TYR 8 -0.204 -7.462 -4.135 69 HD2 TYR 8 HD2 TYR 8 -0.401 -6.308 -0.007 70 HE1 TYR 8 HE1 TYR 8 -2.599 -8.068 -4.079 71 HE2 TYR 8 HE2 TYR 8 -2.796 -6.915 0.049 72 HH TYR 8 HH TYR 8 -4.413 -8.287 -2.803 73 H ASP 9 H ASP 9 3.375 -4.657 -3.649 74 HA ASP 9 HA ASP 9 5.679 -5.038 -1.954 75 HB2 ASP 9 HB2 ASP 9 5.340 -3.941 -4.769 76 HB3 ASP 9 HB3 ASP 9 6.910 -4.080 -3.989 77 H LEU 10 H LEU 10 3.884 -2.223 -3.111 78 HA LEU 10 HA LEU 10 5.717 -0.221 -2.250 79 HB2 LEU 10 HB2 LEU 10 2.697 -0.231 -2.535 80 HB3 LEU 10 HB3 LEU 10 3.615 1.213 -2.101 81 HG LEU 10 HG LEU 10 3.971 -0.350 -4.681 82 HD11 LEU 10 HD11 LEU 10 2.798 1.539 -5.720 83 HD12 LEU 10 HD12 LEU 10 1.766 0.689 -4.547 84 HD13 LEU 10 HD13 LEU 10 2.512 2.245 -4.112 85 HD21 LEU 10 HD21 LEU 10 5.279 1.638 -5.351 86 HD22 LEU 10 HD22 LEU 10 5.028 2.346 -3.737 87 HD23 LEU 10 HD23 LEU 10 5.988 0.858 -3.916 88 H LEU 11 H LEU 11 3.143 -1.974 -0.548 89 HA LEU 11 HA LEU 11 3.652 -0.501 1.939 90 HB2 LEU 11 HB2 LEU 11 1.930 -2.935 1.349 91 HB3 LEU 11 HB3 LEU 11 1.989 -2.087 2.898 92 HG LEU 11 HG LEU 11 0.980 -0.950 0.266 93 HD11 LEU 11 HD11 LEU 11 -1.191 -0.975 1.413 94 HD12 LEU 11 HD12 LEU 11 -0.504 -2.610 1.271 95 HD13 LEU 11 HD13 LEU 11 -0.436 -1.747 2.826 96 HD21 LEU 11 HD21 LEU 11 0.340 1.001 1.642 97 HD22 LEU 11 HD22 LEU 11 1.117 0.257 3.061 98 HD23 LEU 11 HD23 LEU 11 2.103 0.752 1.664 99 H GLY 12 H GLY 12 4.693 -3.437 0.380 100 HA2 GLY 12 HA2 GLY 12 6.622 -4.661 0.915 101 HA3 GLY 12 HA3 GLY 12 6.797 -3.732 2.392 102 H VAL 13 H VAL 13 4.043 -5.677 1.188 103 HA VAL 13 HA VAL 13 4.403 -7.580 3.425 104 HB VAL 13 HB VAL 13 3.025 -5.735 4.359 105 HG11 VAL 13 HG11 VAL 13 0.790 -5.290 3.468 106 HG12 VAL 13 HG12 VAL 13 2.067 -4.897 2.293 107 HG13 VAL 13 HG13 VAL 13 1.115 -6.389 2.107 108 HG21 VAL 13 HG21 VAL 13 1.121 -7.134 5.096 109 HG22 VAL 13 HG22 VAL 13 1.464 -8.288 3.785 110 HG23 VAL 13 HG23 VAL 13 2.641 -8.060 5.102 111 H SER 14 H SER 14 3.452 -9.564 3.106 112 HA SER 14 HA SER 14 3.159 -10.380 0.403 113 HB2 SER 14 HB2 SER 14 3.822 -11.947 2.120 114 HB3 SER 14 HB3 SER 14 2.322 -11.703 3.001 115 HG SER 14 HG SER 14 2.862 -13.353 1.005 116 HA PRO 15 HA PRO 15 -0.951 -9.288 -0.664 117 HB2 PRO 15 HB2 PRO 15 -0.792 -11.902 -2.203 118 HB3 PRO 15 HB3 PRO 15 -1.309 -10.308 -2.767 119 HG2 PRO 15 HG2 PRO 15 1.122 -11.157 -3.440 120 HG3 PRO 15 HG3 PRO 15 0.918 -9.481 -2.919 121 HD2 PRO 15 HD2 PRO 15 1.932 -11.873 -1.328 122 HD3 PRO 15 HD3 PRO 15 2.582 -10.185 -1.386 123 H SER 16 H SER 16 0.036 -12.432 0.572 124 HA SER 16 HA SER 16 -2.675 -13.453 0.883 125 HB2 SER 16 HB2 SER 16 -1.625 -15.368 1.901 126 HB3 SER 16 HB3 SER 16 -0.692 -14.909 0.486 127 HG SER 16 HG SER 16 0.712 -13.800 1.861 128 H ALA 17 H ALA 17 -0.799 -11.233 2.581 129 HA ALA 17 HA ALA 17 -1.614 -11.973 5.267 130 HB1 ALA 17 HB1 ALA 17 -0.649 -9.786 5.901 131 HB2 ALA 17 HB2 ALA 17 0.459 -10.721 4.869 132 HB3 ALA 17 HB3 ALA 17 -0.474 -9.373 4.180 133 H ASN 18 H ASN 18 -2.886 -10.597 6.688 134 HA ASN 18 HA ASN 18 -5.412 -9.946 5.329 135 HB2 ASN 18 HB2 ASN 18 -6.376 -9.873 7.532 136 HB3 ASN 18 HB3 ASN 18 -5.353 -11.298 7.422 137 HD21 ASN 18 HD21 ASN 18 -4.489 -9.992 10.648 138 HD22 ASN 18 HD22 ASN 18 -5.721 -10.904 9.842 139 H GLU 19 H GLU 19 -6.591 -8.036 6.738 140 HA GLU 19 HA GLU 19 -5.384 -5.719 5.490 141 HB2 GLU 19 HB2 GLU 19 -7.805 -6.013 7.313 142 HB3 GLU 19 HB3 GLU 19 -7.342 -4.508 6.529 143 HG2 GLU 19 HG2 GLU 19 -8.975 -5.340 5.129 144 HG3 GLU 19 HG3 GLU 19 -7.489 -5.834 4.323 145 H GLN 20 H GLN 20 -5.346 -7.095 8.685 146 HA GLN 20 HA GLN 20 -4.524 -4.769 10.130 147 HB2 GLN 20 HB2 GLN 20 -3.992 -7.728 10.593 148 HB3 GLN 20 HB3 GLN 20 -3.517 -6.470 11.727 149 HG2 GLN 20 HG2 GLN 20 -5.816 -5.838 12.087 150 HG3 GLN 20 HG3 GLN 20 -6.359 -6.976 10.822 151 HE21 GLN 20 HE21 GLN 20 -6.581 -8.321 14.414 152 HE22 GLN 20 HE22 GLN 20 -6.935 -6.749 13.779 153 H GLU 21 H GLU 21 -2.717 -7.225 8.310 154 HA GLU 21 HA GLU 21 -0.131 -6.102 8.995 155 HB2 GLU 21 HB2 GLU 21 -0.981 -8.022 6.790 156 HB3 GLU 21 HB3 GLU 21 0.687 -7.602 7.149 157 HG2 GLU 21 HG2 GLU 21 -1.244 -8.997 9.015 158 HG3 GLU 21 HG3 GLU 21 0.076 -9.747 8.119 159 H LEU 22 H LEU 22 -2.454 -5.687 6.369 160 HA LEU 22 HA LEU 22 -0.846 -4.064 4.673 161 HB2 LEU 22 HB2 LEU 22 -3.830 -4.121 5.214 162 HB3 LEU 22 HB3 LEU 22 -3.098 -3.070 3.996 163 HG LEU 22 HG LEU 22 -2.925 -6.104 3.996 164 HD11 LEU 22 HD11 LEU 22 -4.538 -5.967 2.150 165 HD12 LEU 22 HD12 LEU 22 -5.214 -5.323 3.665 166 HD13 LEU 22 HD13 LEU 22 -4.663 -4.209 2.392 167 HD21 LEU 22 HD21 LEU 22 -2.076 -5.755 1.700 168 HD22 LEU 22 HD22 LEU 22 -2.168 -3.993 1.934 169 HD23 LEU 22 HD23 LEU 22 -1.027 -4.961 2.898 170 H LYS 23 H LYS 23 -2.854 -3.262 7.499 171 HA LYS 23 HA LYS 23 -2.389 -0.440 7.419 172 HB2 LYS 23 HB2 LYS 23 -3.053 -2.337 9.699 173 HB3 LYS 23 HB3 LYS 23 -2.916 -0.597 9.916 174 HG2 LYS 23 HG2 LYS 23 -4.750 -0.223 8.341 175 HG3 LYS 23 HG3 LYS 23 -4.859 -1.961 8.029 176 HD2 LYS 23 HD2 LYS 23 -5.394 -2.350 10.419 177 HD3 LYS 23 HD3 LYS 23 -5.306 -0.607 10.716 178 HE2 LYS 23 HE2 LYS 23 -7.155 -0.235 9.123 179 HE3 LYS 23 HE3 LYS 23 -7.235 -1.968 8.797 180 HZ1 LYS 23 HZ1 LYS 23 -8.876 -1.294 10.391 181 HZ2 LYS 23 HZ2 LYS 23 -7.797 -2.317 11.105 182 HZ3 LYS 23 HZ3 LYS 23 -7.723 -0.698 11.408 183 H LYS 24 H LYS 24 -0.652 -3.102 9.028 184 HA LYS 24 HA LYS 24 1.296 -1.487 10.328 185 HB2 LYS 24 HB2 LYS 24 1.413 -4.345 9.296 186 HB3 LYS 24 HB3 LYS 24 2.705 -3.606 10.233 187 HG2 LYS 24 HG2 LYS 24 1.187 -3.286 12.128 188 HG3 LYS 24 HG3 LYS 24 -0.152 -3.957 11.187 189 HD2 LYS 24 HD2 LYS 24 1.185 -6.083 10.936 190 HD3 LYS 24 HD3 LYS 24 2.379 -5.401 12.049 191 HE2 LYS 24 HE2 LYS 24 0.684 -5.221 13.809 192 HE3 LYS 24 HE3 LYS 24 -0.564 -5.799 12.703 193 HZ1 LYS 24 HZ1 LYS 24 0.241 -7.544 14.115 194 HZ2 LYS 24 HZ2 LYS 24 0.622 -7.880 12.545 195 HZ3 LYS 24 HZ3 LYS 24 1.787 -7.339 13.580 196 H GLY 25 H GLY 25 1.283 -2.993 7.098 197 HA2 GLY 25 HA2 GLY 25 3.923 -2.282 6.339 198 HA3 GLY 25 HA3 GLY 25 2.595 -2.584 5.232 199 H TYR 26 H TYR 26 0.819 -0.547 5.947 200 HA TYR 26 HA TYR 26 1.896 1.663 4.490 201 HB2 TYR 26 HB2 TYR 26 -0.517 1.161 4.557 202 HB3 TYR 26 HB3 TYR 26 -0.561 1.503 6.280 203 HD1 TYR 26 HD1 TYR 26 0.739 3.219 3.202 204 HD2 TYR 26 HD2 TYR 26 -1.514 3.506 6.842 205 HE1 TYR 26 HE1 TYR 26 0.262 5.596 2.719 206 HE2 TYR 26 HE2 TYR 26 -1.992 5.882 6.359 207 HH TYR 26 HH TYR 26 -0.931 7.394 3.335 208 H ARG 27 H ARG 27 1.309 1.180 7.972 209 HA ARG 27 HA ARG 27 2.051 3.780 8.812 210 HB2 ARG 27 HB2 ARG 27 2.217 1.088 10.194 211 HB3 ARG 27 HB3 ARG 27 2.642 2.590 10.999 212 HG2 ARG 27 HG2 ARG 27 0.383 3.436 10.725 213 HG3 ARG 27 HG3 ARG 27 -0.068 1.992 9.786 214 HD2 ARG 27 HD2 ARG 27 0.368 0.590 11.706 215 HD3 ARG 27 HD3 ARG 27 0.864 2.015 12.647 216 HE ARG 27 HE ARG 27 -1.689 2.570 11.697 217 HH11 ARG 27 HH11 ARG 27 -0.176 0.152 13.747 218 HH12 ARG 27 HH12 ARG 27 -1.611 -0.108 14.712 219 HH21 ARG 27 HH21 ARG 27 -3.546 2.223 12.957 220 HH22 ARG 27 HH22 ARG 27 -3.519 1.063 14.267 221 H LYS 28 H LYS 28 4.015 0.842 8.341 222 HA LYS 28 HA LYS 28 6.468 2.012 9.263 223 HB2 LYS 28 HB2 LYS 28 5.887 -0.352 7.442 224 HB3 LYS 28 HB3 LYS 28 7.513 0.099 7.935 225 HG2 LYS 28 HG2 LYS 28 6.915 -0.253 10.295 226 HG3 LYS 28 HG3 LYS 28 5.265 -0.676 9.816 227 HD2 LYS 28 HD2 LYS 28 6.141 -2.575 8.485 228 HD3 LYS 28 HD3 LYS 28 7.788 -2.156 8.981 229 HE2 LYS 28 HE2 LYS 28 7.171 -2.528 11.347 230 HE3 LYS 28 HE3 LYS 28 5.526 -2.941 10.857 231 HZ1 LYS 28 HZ1 LYS 28 6.857 -4.889 11.206 232 HZ2 LYS 28 HZ2 LYS 28 6.422 -4.791 9.619 233 HZ3 LYS 28 HZ3 LYS 28 7.958 -4.406 10.078 234 H ALA 29 H ALA 29 5.082 1.592 6.002 235 HA ALA 29 HA ALA 29 7.295 2.833 4.660 236 HB1 ALA 29 HB1 ALA 29 5.758 2.958 2.726 237 HB2 ALA 29 HB2 ALA 29 5.725 1.353 3.493 238 HB3 ALA 29 HB3 ALA 29 4.402 2.506 3.784 239 H ALA 30 H ALA 30 4.295 4.056 6.060 240 HA ALA 30 HA ALA 30 4.425 6.673 4.943 241 HB1 ALA 30 HB1 ALA 30 2.921 7.311 6.801 242 HB2 ALA 30 HB2 ALA 30 2.405 5.795 6.025 243 HB3 ALA 30 HB3 ALA 30 3.248 5.751 7.590 244 H LEU 31 H LEU 31 5.781 5.306 7.935 245 HA LEU 31 HA LEU 31 7.022 7.737 8.816 246 HB2 LEU 31 HB2 LEU 31 7.672 4.814 9.308 247 HB3 LEU 31 HB3 LEU 31 8.532 6.144 10.091 248 HG LEU 31 HG LEU 31 5.549 5.633 10.362 249 HD11 LEU 31 HD11 LEU 31 6.117 4.791 12.596 250 HD12 LEU 31 HD12 LEU 31 6.855 3.803 11.314 251 HD13 LEU 31 HD13 LEU 31 7.848 4.968 12.223 252 HD21 LEU 31 HD21 LEU 31 5.758 7.248 12.222 253 HD22 LEU 31 HD22 LEU 31 7.484 7.460 11.844 254 HD23 LEU 31 HD23 LEU 31 6.247 7.984 10.677 255 H LYS 32 H LYS 32 8.106 5.070 6.730 256 HA LYS 32 HA LYS 32 10.801 5.886 6.432 257 HB2 LYS 32 HB2 LYS 32 9.925 3.700 5.662 258 HB3 LYS 32 HB3 LYS 32 8.991 4.506 4.409 259 HG2 LYS 32 HG2 LYS 32 11.043 5.261 3.315 260 HG3 LYS 32 HG3 LYS 32 12.016 4.543 4.607 261 HD2 LYS 32 HD2 LYS 32 11.132 2.306 4.034 262 HD3 LYS 32 HD3 LYS 32 10.149 3.022 2.749 263 HE2 LYS 32 HE2 LYS 32 12.192 3.808 1.610 264 HE3 LYS 32 HE3 LYS 32 13.185 3.124 2.900 265 HZ1 LYS 32 HZ1 LYS 32 13.062 1.667 1.015 266 HZ2 LYS 32 HZ2 LYS 32 12.343 0.953 2.318 267 HZ3 LYS 32 HZ3 LYS 32 11.417 1.592 1.112 268 H TYR 33 H TYR 33 7.884 6.850 4.641 269 HA TYR 33 HA TYR 33 9.561 8.811 3.141 270 HB2 TYR 33 HB2 TYR 33 6.771 7.781 2.484 271 HB3 TYR 33 HB3 TYR 33 7.737 8.865 1.492 272 HD1 TYR 33 HD1 TYR 33 6.724 5.567 1.884 273 HD2 TYR 33 HD2 TYR 33 10.210 7.900 0.980 274 HE1 TYR 33 HE1 TYR 33 7.729 3.623 0.736 275 HE2 TYR 33 HE2 TYR 33 11.214 5.956 -0.168 276 HH TYR 33 HH TYR 33 9.429 2.911 -0.532 277 H HIS 34 H HIS 34 8.487 9.067 5.920 278 HA HIS 34 HA HIS 34 6.199 10.803 5.900 279 HB2 HIS 34 HB2 HIS 34 7.217 9.483 7.876 280 HB3 HIS 34 HB3 HIS 34 8.361 10.809 8.018 281 HD2 HIS 34 HD2 HIS 34 4.863 9.901 9.200 282 HE1 HIS 34 HE1 HIS 34 5.278 14.105 9.767 283 HE2 HIS 34 HE2 HIS 34 3.867 12.046 10.288 284 HA PRO 35 HA PRO 35 7.780 14.371 4.109 285 HB2 PRO 35 HB2 PRO 35 5.824 15.695 6.045 286 HB3 PRO 35 HB3 PRO 35 6.073 16.027 4.325 287 HG2 PRO 35 HG2 PRO 35 3.995 14.523 5.021 288 HG3 PRO 35 HG3 PRO 35 4.973 14.029 3.635 289 HD2 PRO 35 HD2 PRO 35 4.982 12.953 6.475 290 HD3 PRO 35 HD3 PRO 35 5.157 12.059 4.911 291 H ASP 36 H ASP 36 7.487 14.071 7.627 292 HA ASP 36 HA ASP 36 9.165 16.469 8.056 293 HB2 ASP 36 HB2 ASP 36 7.643 14.667 9.978 294 HB3 ASP 36 HB3 ASP 36 8.632 16.028 10.489 295 H LYS 37 H LYS 37 9.876 13.466 7.223 296 HA LYS 37 HA LYS 37 12.180 13.266 9.114 297 HB2 LYS 37 HB2 LYS 37 10.963 11.157 7.284 298 HB3 LYS 37 HB3 LYS 37 12.379 10.916 8.299 299 HG2 LYS 37 HG2 LYS 37 9.613 11.607 9.336 300 HG3 LYS 37 HG3 LYS 37 10.300 9.978 9.264 301 HD2 LYS 37 HD2 LYS 37 12.179 10.745 10.725 302 HD3 LYS 37 HD3 LYS 37 11.398 12.327 10.852 303 HE2 LYS 37 HE2 LYS 37 9.385 11.229 11.824 304 HE3 LYS 37 HE3 LYS 37 10.216 9.673 11.748 305 HZ1 LYS 37 HZ1 LYS 37 10.386 10.660 13.913 306 HZ2 LYS 37 HZ2 LYS 37 11.883 10.557 13.229 307 HZ3 LYS 37 HZ3 LYS 37 11.106 12.011 13.301 308 HA PRO 38 HA PRO 38 15.144 14.377 6.205 309 HB2 PRO 38 HB2 PRO 38 16.511 11.725 6.807 310 HB3 PRO 38 HB3 PRO 38 17.204 13.351 6.784 311 HG2 PRO 38 HG2 PRO 38 16.645 12.257 9.142 312 HG3 PRO 38 HG3 PRO 38 16.225 13.951 8.871 313 HD2 PRO 38 HD2 PRO 38 14.435 11.492 8.779 314 HD3 PRO 38 HD3 PRO 38 14.101 13.120 9.494 315 H THR 39 H THR 39 13.847 11.090 6.068 316 HA THR 39 HA THR 39 14.650 10.843 3.217 317 HB THR 39 HB THR 39 13.976 8.457 3.455 318 HG1 THR 39 HG1 THR 39 12.510 8.291 5.023 319 HG21 THR 39 HG21 THR 39 15.782 7.786 4.991 320 HG22 THR 39 HG22 THR 39 16.300 9.134 3.951 321 HG23 THR 39 HG23 THR 39 15.848 9.440 5.643 322 H GLY 40 H GLY 40 12.389 12.511 4.414 323 HA2 GLY 40 HA2 GLY 40 9.876 11.366 3.753 324 HA3 GLY 40 HA3 GLY 40 10.225 13.084 3.812 325 H ASP 41 H ASP 41 8.658 11.300 1.910 326 HA ASP 41 HA ASP 41 9.635 12.551 -0.560 327 HB2 ASP 41 HB2 ASP 41 10.925 10.416 -0.439 328 HB3 ASP 41 HB3 ASP 41 9.414 9.521 -0.348 329 H THR 42 H THR 42 7.818 13.574 -1.085 330 HA THR 42 HA THR 42 5.232 12.732 -0.256 331 HB THR 42 HB THR 42 6.024 14.658 -2.484 332 HG1 THR 42 HG1 THR 42 5.323 16.128 -0.663 333 HG21 THR 42 HG21 THR 42 3.747 15.561 -2.213 334 HG22 THR 42 HG22 THR 42 3.699 13.859 -2.730 335 HG23 THR 42 HG23 THR 42 3.376 14.283 -1.033 336 H GLU 43 H GLU 43 6.960 12.329 -3.335 337 HA GLU 43 HA GLU 43 4.787 11.306 -4.842 338 HB2 GLU 43 HB2 GLU 43 6.936 12.012 -5.843 339 HB3 GLU 43 HB3 GLU 43 7.757 10.666 -5.067 340 HG2 GLU 43 HG2 GLU 43 6.451 9.074 -6.380 341 HG3 GLU 43 HG3 GLU 43 5.550 10.397 -7.119 342 H LYS 44 H LYS 44 7.311 9.555 -3.002 343 HA LYS 44 HA LYS 44 6.139 6.969 -3.527 344 HB2 LYS 44 HB2 LYS 44 8.127 7.865 -1.401 345 HB3 LYS 44 HB3 LYS 44 7.709 6.190 -1.736 346 HG2 LYS 44 HG2 LYS 44 9.049 8.117 -3.656 347 HG3 LYS 44 HG3 LYS 44 9.816 6.777 -2.791 348 HD2 LYS 44 HD2 LYS 44 7.487 6.381 -4.695 349 HD3 LYS 44 HD3 LYS 44 9.177 6.330 -5.219 350 HE2 LYS 44 HE2 LYS 44 9.600 4.520 -3.548 351 HE3 LYS 44 HE3 LYS 44 7.884 4.534 -3.133 352 HZ1 LYS 44 HZ1 LYS 44 8.395 2.829 -4.719 353 HZ2 LYS 44 HZ2 LYS 44 7.390 3.944 -5.405 354 HZ3 LYS 44 HZ3 LYS 44 8.993 3.929 -5.792 355 H PHE 45 H PHE 45 5.812 9.358 -0.952 356 HA PHE 45 HA PHE 45 4.323 7.745 0.866 357 HB2 PHE 45 HB3 PHE 45 5.320 10.045 1.306 358 HB3 PHE 45 HB2 PHE 45 3.981 10.730 0.400 359 HD1 PHE 45 HD1 PHE 45 1.748 10.789 1.309 360 HD2 PHE 45 HD2 PHE 45 4.953 8.979 3.478 361 HE1 PHE 45 HE1 PHE 45 0.362 10.791 3.355 362 HE2 PHE 45 HE2 PHE 45 3.569 8.977 5.526 363 HZ PHE 45 HZ PHE 45 1.272 9.886 5.464 364 H LYS 46 H LYS 46 3.327 9.751 -1.899 365 HA LYS 46 HA LYS 46 0.518 9.322 -1.608 366 HB2 LYS 46 HB2 LYS 46 1.499 11.063 -3.079 367 HB3 LYS 46 HB3 LYS 46 2.148 9.814 -4.133 368 HG2 LYS 46 HG2 LYS 46 -0.115 9.084 -4.714 369 HG3 LYS 46 HG3 LYS 46 -0.802 10.271 -3.597 370 HD2 LYS 46 HD2 LYS 46 0.213 12.103 -4.906 371 HD3 LYS 46 HD3 LYS 46 0.921 10.922 -6.017 372 HE2 LYS 46 HE2 LYS 46 -1.344 10.136 -6.626 373 HE3 LYS 46 HE3 LYS 46 -2.054 11.315 -5.519 374 HZ1 LYS 46 HZ1 LYS 46 -2.045 12.111 -7.767 375 HZ2 LYS 46 HZ2 LYS 46 -1.067 13.060 -6.838 376 HZ3 LYS 46 HZ3 LYS 46 -0.406 11.959 -7.873 377 H GLU 47 H GLU 47 3.048 7.499 -3.313 378 HA GLU 47 HA GLU 47 1.330 5.712 -4.690 379 HB2 GLU 47 HB2 GLU 47 4.180 5.412 -3.679 380 HB3 GLU 47 HB3 GLU 47 3.378 4.169 -4.629 381 HG2 GLU 47 HG2 GLU 47 3.071 5.770 -6.473 382 HG3 GLU 47 HG3 GLU 47 3.871 7.018 -5.520 383 H ILE 48 H ILE 48 2.858 5.444 -1.477 384 HA ILE 48 HA ILE 48 1.749 2.814 -0.984 385 HB ILE 48 HB ILE 48 2.583 3.131 1.321 386 HG12 ILE 48 HG12 ILE 48 3.317 5.946 0.494 387 HG13 ILE 48 HG13 ILE 48 1.906 5.543 1.460 388 HG21 ILE 48 HG21 ILE 48 4.960 3.477 0.786 389 HG22 ILE 48 HG22 ILE 48 4.171 2.455 -0.438 390 HG23 ILE 48 HG23 ILE 48 4.508 4.165 -0.792 391 HD11 ILE 48 HD11 ILE 48 3.751 6.277 2.864 392 HD12 ILE 48 HD12 ILE 48 3.355 4.572 3.191 393 HD13 ILE 48 HD13 ILE 48 4.784 4.982 2.213 394 H SER 49 H SER 49 0.666 6.097 -0.508 395 HA SER 49 HA SER 49 -1.479 5.454 1.321 396 HB2 SER 49 HB2 SER 49 -1.049 7.775 -0.585 397 HB3 SER 49 HB3 SER 49 -2.384 7.678 0.553 398 HG SER 49 HG SER 49 0.357 7.893 1.020 399 H GLU 50 H GLU 50 -1.227 5.766 -2.222 400 HA GLU 50 HA GLU 50 -3.938 5.065 -2.794 401 HB2 GLU 50 HB2 GLU 50 -1.351 4.730 -4.351 402 HB3 GLU 50 HB3 GLU 50 -2.907 4.236 -5.001 403 HG2 GLU 50 HG2 GLU 50 -3.738 6.533 -4.811 404 HG3 GLU 50 HG3 GLU 50 -2.204 7.041 -4.110 405 H ALA 51 H ALA 51 -0.999 3.081 -2.393 406 HA ALA 51 HA ALA 51 -2.201 0.568 -2.893 407 HB1 ALA 51 HB1 ALA 51 -0.330 -0.370 -1.574 408 HB2 ALA 51 HB2 ALA 51 0.227 0.876 -2.716 409 HB3 ALA 51 HB3 ALA 51 0.064 1.263 -0.988 410 H PHE 52 H PHE 52 -1.848 2.373 0.164 411 HA PHE 52 HA PHE 52 -3.051 0.417 1.835 412 HB2 PHE 52 HB3 PHE 52 -1.806 2.314 2.749 413 HB3 PHE 52 HB2 PHE 52 -2.971 3.449 2.088 414 HD1 PHE 52 HD1 PHE 52 -2.805 0.497 4.378 415 HD2 PHE 52 HD2 PHE 52 -4.677 4.220 3.435 416 HE1 PHE 52 HE1 PHE 52 -4.118 0.364 6.468 417 HE2 PHE 52 HE2 PHE 52 -5.990 4.092 5.526 418 HZ PHE 52 HZ PHE 52 -5.710 2.161 7.041 419 H GLU 53 H GLU 53 -4.505 3.315 0.304 420 HA GLU 53 HA GLU 53 -7.117 2.916 1.300 421 HB2 GLU 53 HB2 GLU 53 -6.559 5.026 0.304 422 HB3 GLU 53 HB3 GLU 53 -6.087 4.274 -1.213 423 HG2 GLU 53 HG2 GLU 53 -8.193 5.349 -1.519 424 HG3 GLU 53 HG3 GLU 53 -8.446 3.606 -1.588 425 H ILE 54 H ILE 54 -5.681 1.842 -1.792 426 HA ILE 54 HA ILE 54 -8.084 0.654 -2.782 427 HB ILE 54 HB ILE 54 -5.153 0.213 -3.464 428 HG12 ILE 54 HG12 ILE 54 -7.345 1.537 -5.068 429 HG13 ILE 54 HG13 ILE 54 -6.291 2.415 -3.971 430 HG21 ILE 54 HG21 ILE 54 -5.945 -1.024 -5.440 431 HG22 ILE 54 HG22 ILE 54 -6.408 -1.856 -3.938 432 HG23 ILE 54 HG23 ILE 54 -7.617 -0.916 -4.844 433 HD11 ILE 54 HD11 ILE 54 -5.499 2.573 -6.264 434 HD12 ILE 54 HD12 ILE 54 -4.328 1.689 -5.257 435 HD13 ILE 54 HD13 ILE 54 -5.396 0.801 -6.369 436 H LEU 55 H LEU 55 -5.377 -0.625 -0.876 437 HA LEU 55 HA LEU 55 -6.422 -3.363 -1.095 438 HB2 LEU 55 HB2 LEU 55 -4.063 -2.214 0.439 439 HB3 LEU 55 HB3 LEU 55 -4.452 -3.933 0.322 440 HG LEU 55 HG LEU 55 -3.687 -2.141 -2.011 441 HD11 LEU 55 HD11 LEU 55 -1.592 -3.419 -1.980 442 HD12 LEU 55 HD12 LEU 55 -1.837 -2.520 -0.464 443 HD13 LEU 55 HD13 LEU 55 -2.136 -4.274 -0.517 444 HD21 LEU 55 HD21 LEU 55 -3.580 -4.276 -3.251 445 HD22 LEU 55 HD22 LEU 55 -4.151 -5.145 -1.805 446 HD23 LEU 55 HD23 LEU 55 -5.220 -3.981 -2.625 447 H ASN 56 H ASN 56 -6.766 -0.663 0.990 448 HA ASN 56 HA ASN 56 -7.481 -2.165 3.372 449 HB2 ASN 56 HB2 ASN 56 -6.693 0.185 3.447 450 HB3 ASN 56 HB3 ASN 56 -8.140 0.693 2.588 451 HD21 ASN 56 HD21 ASN 56 -9.929 1.103 5.502 452 HD22 ASN 56 HD22 ASN 56 -9.593 1.566 3.868 453 H ASP 57 H ASP 57 -9.406 -0.366 0.946 454 HA ASP 57 HA ASP 57 -11.916 -1.432 1.853 455 HB2 ASP 57 HB2 ASP 57 -11.689 0.629 0.461 456 HB3 ASP 57 HB3 ASP 57 -11.162 -0.358 -0.895 457 HA PRO 58 HA PRO 58 -11.240 -5.588 0.572 458 HB2 PRO 58 HB2 PRO 58 -14.276 -5.521 0.865 459 HB3 PRO 58 HB3 PRO 58 -13.139 -6.758 1.416 460 HG2 PRO 58 HG2 PRO 58 -14.065 -5.030 3.207 461 HG3 PRO 58 HG3 PRO 58 -12.344 -5.422 3.224 462 HD2 PRO 58 HD2 PRO 58 -13.742 -2.969 2.099 463 HD3 PRO 58 HD3 PRO 58 -12.182 -3.079 3.009 464 H GLN 59 H GLN 59 -13.772 -3.454 -0.740 465 HA GLN 59 HA GLN 59 -14.319 -5.058 -3.072 466 HB2 GLN 59 HB2 GLN 59 -15.902 -3.365 -2.139 467 HB3 GLN 59 HB3 GLN 59 -14.797 -2.085 -2.617 468 HG2 GLN 59 HG2 GLN 59 -16.570 -2.256 -4.223 469 HG3 GLN 59 HG3 GLN 59 -15.045 -2.788 -4.982 470 HE21 GLN 59 HE21 GLN 59 -16.467 -5.738 -6.087 471 HE22 GLN 59 HE22 GLN 59 -15.392 -4.405 -6.344 472 H LYS 60 H LYS 60 -12.246 -2.228 -2.462 473 HA LYS 60 HA LYS 60 -11.385 -2.015 -5.213 474 HB2 LYS 60 HB2 LYS 60 -10.244 -0.908 -2.620 475 HB3 LYS 60 HB3 LYS 60 -9.577 -0.543 -4.206 476 HG2 LYS 60 HG2 LYS 60 -11.718 0.473 -4.884 477 HG3 LYS 60 HG3 LYS 60 -12.397 0.098 -3.293 478 HD2 LYS 60 HD2 LYS 60 -10.610 1.487 -2.237 479 HD3 LYS 60 HD3 LYS 60 -10.018 1.909 -3.851 480 HE2 LYS 60 HE2 LYS 60 -12.226 2.905 -4.389 481 HE3 LYS 60 HE3 LYS 60 -12.798 2.503 -2.768 482 HZ1 LYS 60 HZ1 LYS 60 -12.062 4.768 -2.907 483 HZ2 LYS 60 HZ2 LYS 60 -11.087 3.929 -1.874 484 HZ3 LYS 60 HZ3 LYS 60 -10.554 4.306 -3.389 485 H ARG 61 H ARG 61 -10.148 -3.652 -2.333 486 HA ARG 61 HA ARG 61 -7.640 -4.455 -3.432 487 HB2 ARG 61 HB2 ARG 61 -8.256 -4.604 -1.020 488 HB3 ARG 61 HB3 ARG 61 -9.363 -5.915 -1.399 489 HG2 ARG 61 HG2 ARG 61 -7.512 -7.322 -2.123 490 HG3 ARG 61 HG3 ARG 61 -6.367 -5.986 -1.844 491 HD2 ARG 61 HD2 ARG 61 -7.032 -5.968 0.522 492 HD3 ARG 61 HD3 ARG 61 -8.068 -7.381 0.209 493 HE ARG 61 HE ARG 61 -5.402 -7.869 -0.689 494 HH11 ARG 61 HH11 ARG 61 -7.344 -7.625 2.228 495 HH12 ARG 61 HH12 ARG 61 -6.321 -8.702 3.151 496 HH21 ARG 61 HH21 ARG 61 -4.080 -9.267 0.519 497 HH22 ARG 61 HH22 ARG 61 -4.473 -9.633 2.184 498 H GLU 62 H GLU 62 -10.832 -6.060 -3.379 499 HA GLU 62 HA GLU 62 -10.101 -8.380 -4.832 500 HB2 GLU 62 HB2 GLU 62 -12.285 -8.097 -3.706 501 HB3 GLU 62 HB3 GLU 62 -12.733 -6.847 -4.858 502 HG2 GLU 62 HG2 GLU 62 -12.654 -8.484 -6.685 503 HG3 GLU 62 HG3 GLU 62 -12.172 -9.740 -5.547 504 H ILE 63 H ILE 63 -11.359 -5.248 -6.020 505 HA ILE 63 HA ILE 63 -11.335 -5.915 -8.772 506 HB ILE 63 HB ILE 63 -11.037 -3.247 -7.343 507 HG12 ILE 63 HG12 ILE 63 -13.369 -4.367 -8.906 508 HG13 ILE 63 HG13 ILE 63 -13.182 -4.574 -7.173 509 HG21 ILE 63 HG21 ILE 63 -11.480 -2.192 -9.525 510 HG22 ILE 63 HG22 ILE 63 -9.953 -3.105 -9.553 511 HG23 ILE 63 HG23 ILE 63 -11.411 -3.787 -10.313 512 HD11 ILE 63 HD11 ILE 63 -14.663 -2.713 -7.678 513 HD12 ILE 63 HD12 ILE 63 -13.187 -2.137 -6.866 514 HD13 ILE 63 HD13 ILE 63 -13.378 -1.925 -8.622 515 H TYR 64 H TYR 64 -8.798 -4.543 -6.694 516 HA TYR 64 HA TYR 64 -6.878 -4.082 -8.740 517 HB2 TYR 64 HB2 TYR 64 -6.556 -3.145 -6.531 518 HB3 TYR 64 HB3 TYR 64 -6.560 -4.739 -5.790 519 HD1 TYR 64 HD1 TYR 64 -4.717 -2.932 -8.517 520 HD2 TYR 64 HD2 TYR 64 -4.530 -5.598 -5.161 521 HE1 TYR 64 HE1 TYR 64 -2.259 -3.047 -8.746 522 HE2 TYR 64 HE2 TYR 64 -2.072 -5.714 -5.389 523 HH TYR 64 HH TYR 64 -0.386 -4.007 -8.010 524 H ASP 65 H ASP 65 -7.278 -6.916 -6.589 525 HA ASP 65 HA ASP 65 -5.093 -8.328 -7.853 526 HB2 ASP 65 HB2 ASP 65 -7.271 -9.175 -5.912 527 HB3 ASP 65 HB3 ASP 65 -6.064 -10.299 -6.523 528 H GLN 66 H GLN 66 -8.504 -8.035 -8.455 529 HA GLN 66 HA GLN 66 -8.647 -10.506 -10.026 530 HB2 GLN 66 HB2 GLN 66 -10.598 -9.673 -8.718 531 HB3 GLN 66 HB3 GLN 66 -10.655 -8.236 -9.727 532 HG2 GLN 66 HG2 GLN 66 -12.334 -9.812 -10.430 533 HG3 GLN 66 HG3 GLN 66 -11.093 -9.651 -11.703 534 HE21 GLN 66 HE21 GLN 66 -10.747 -13.087 -11.913 535 HE22 GLN 66 HE22 GLN 66 -10.891 -11.548 -12.695 536 H TYR 67 H TYR 67 -8.378 -7.024 -10.616 537 HA TYR 67 HA TYR 67 -8.385 -7.612 -13.549 538 HB2 TYR 67 HB2 TYR 67 -9.443 -5.132 -12.130 539 HB3 TYR 67 HB3 TYR 67 -9.392 -5.368 -13.872 540 HD1 TYR 67 HD1 TYR 67 -10.695 -7.363 -14.849 541 HD2 TYR 67 HD2 TYR 67 -11.283 -5.833 -10.883 542 HE1 TYR 67 HE1 TYR 67 -12.925 -8.424 -14.769 543 HE2 TYR 67 HE2 TYR 67 -13.513 -6.894 -10.805 544 HH TYR 67 HH TYR 67 -14.781 -8.720 -13.581 545 H GLY 68 H GLY 68 -7.215 -5.372 -11.030 546 HA2 GLY 68 HA2 GLY 68 -4.624 -5.308 -11.176 547 HA3 GLY 68 HA3 GLY 68 -4.898 -4.730 -12.810 548 H LEU 69 H LEU 69 -3.482 -3.018 -11.539 549 HA LEU 69 HA LEU 69 -4.700 -1.317 -9.619 550 HB2 LEU 69 HB2 LEU 69 -2.278 -1.377 -10.036 551 HB3 LEU 69 HB3 LEU 69 -2.523 -0.710 -11.652 552 HG LEU 69 HG LEU 69 -3.353 1.397 -10.654 553 HD11 LEU 69 HD11 LEU 69 -3.138 1.750 -8.234 554 HD12 LEU 69 HD12 LEU 69 -4.302 0.458 -8.609 555 HD13 LEU 69 HD13 LEU 69 -2.671 0.046 -8.027 556 HD21 LEU 69 HD21 LEU 69 -1.173 2.131 -9.749 557 HD22 LEU 69 HD22 LEU 69 -0.677 0.432 -9.562 558 HD23 LEU 69 HD23 LEU 69 -0.956 1.104 -11.187 559 H GLU 70 H GLU 70 -4.537 -1.104 -13.170 560 HA GLU 70 HA GLU 70 -5.600 1.435 -13.570 561 HB2 GLU 70 HB2 GLU 70 -4.818 -0.057 -15.389 562 HB3 GLU 70 HB3 GLU 70 -6.221 -1.090 -15.157 563 HG2 GLU 70 HG2 GLU 70 -7.704 0.754 -15.809 564 HG3 GLU 70 HG3 GLU 70 -6.308 1.810 -16.017 565 H ALA 71 H ALA 71 -7.454 -1.608 -13.202 566 HA ALA 71 HA ALA 71 -10.007 -0.306 -13.226 567 HB1 ALA 71 HB1 ALA 71 -10.858 -2.448 -12.330 568 HB2 ALA 71 HB2 ALA 71 -9.753 -2.700 -13.701 569 HB3 ALA 71 HB3 ALA 71 -9.185 -2.982 -12.039 570 H ALA 72 H ALA 72 -7.794 -1.250 -10.617 571 HA ALA 72 HA ALA 72 -9.550 -0.684 -8.459 572 HB1 ALA 72 HB1 ALA 72 -7.493 -0.534 -7.092 573 HB2 ALA 72 HB2 ALA 72 -7.462 -1.944 -8.179 574 HB3 ALA 72 HB3 ALA 72 -6.518 -0.490 -8.580 575 H ARG 73 H ARG 73 -7.418 1.393 -10.360 576 HA ARG 73 HA ARG 73 -7.682 3.700 -8.654 577 HB2 ARG 73 HB2 ARG 73 -6.894 3.365 -11.562 578 HB3 ARG 73 HB3 ARG 73 -6.934 4.930 -10.764 579 HG2 ARG 73 HG2 ARG 73 -5.259 4.149 -9.138 580 HG3 ARG 73 HG3 ARG 73 -5.213 2.571 -9.960 581 HD2 ARG 73 HD2 ARG 73 -3.379 3.940 -10.676 582 HD3 ARG 73 HD3 ARG 73 -4.519 3.695 -12.020 583 HE ARG 73 HE ARG 73 -4.995 5.945 -12.023 584 HH11 ARG 73 HH11 ARG 73 -3.182 5.137 -9.124 585 HH12 ARG 73 HH12 ARG 73 -2.909 6.806 -8.678 586 HH21 ARG 73 HH21 ARG 73 -4.634 8.108 -11.434 587 HH22 ARG 73 HH22 ARG 73 -3.731 8.489 -9.985 588 H SER 74 H SER 74 -9.454 2.497 -11.486 589 HA SER 74 HA SER 74 -11.210 4.777 -11.681 590 HB2 SER 74 HB2 SER 74 -12.467 3.457 -13.212 591 HB3 SER 74 HB3 SER 74 -10.778 3.055 -13.479 592 HG SER 74 HG SER 74 -11.234 1.342 -11.861 593 H GLY 75 H GLY 75 -11.182 1.843 -9.755 594 HA2 GLY 75 HA2 GLY 75 -12.276 1.656 -7.659 595 HA3 GLY 75 HA3 GLY 75 -13.306 3.013 -8.071 596 H GLY 76 H GLY 76 -13.115 0.889 -10.683 597 HA2 GLY 76 HA2 GLY 76 -15.467 -0.715 -9.784 598 HA3 GLY 76 HA3 GLY 76 -15.594 0.243 -11.247 599 HA PRO 77 HA PRO 77 -13.528 -4.085 -11.785 600 HB2 PRO 77 HB2 PRO 77 -16.258 -4.630 -12.998 601 HB3 PRO 77 HB3 PRO 77 -15.188 -5.735 -12.126 602 HG2 PRO 77 HG2 PRO 77 -17.292 -4.735 -10.837 603 HG3 PRO 77 HG3 PRO 77 -15.740 -4.817 -10.000 604 HD2 PRO 77 HD2 PRO 77 -17.064 -2.431 -11.354 605 HD3 PRO 77 HD3 PRO 77 -16.211 -2.507 -9.760 606 H SER 78 H SER 78 -12.555 -4.507 -13.745 607 HA SER 78 HA SER 78 -12.950 -2.613 -15.913 608 HB2 SER 78 HB2 SER 78 -10.727 -3.459 -15.421 609 HB3 SER 78 HB3 SER 78 -11.255 -5.117 -15.662 610 HG SER 78 HG SER 78 -11.768 -3.363 -17.713 611 H PHE 79 H PHE 79 -14.012 -2.824 -17.782 612 HA PHE 79 HA PHE 79 -15.245 -5.484 -18.364 613 HB2 PHE 79 HB3 PHE 79 -16.531 -2.748 -18.732 614 HB3 PHE 79 HB2 PHE 79 -17.235 -4.279 -19.229 615 HD1 PHE 79 HD1 PHE 79 -16.963 -1.898 -16.619 616 HD2 PHE 79 HD2 PHE 79 -17.589 -6.056 -17.371 617 HE1 PHE 79 HE1 PHE 79 -17.996 -2.144 -14.386 618 HE2 PHE 79 HE2 PHE 79 -18.625 -6.306 -15.140 619 HZ PHE 79 HZ PHE 79 -18.827 -4.349 -13.647 620 H GLY 80 H GLY 80 -13.169 -5.584 -19.626 621 HA2 GLY 80 HA2 GLY 80 -12.478 -5.866 -21.873 622 HA3 GLY 80 HA3 GLY 80 -13.739 -4.770 -22.402 623 HA PRO 81 HA PRO 81 -9.634 -2.608 -22.241 624 HB2 PRO 81 HB2 PRO 81 -9.198 -2.200 -24.910 625 HB3 PRO 81 HB3 PRO 81 -8.770 -3.722 -24.118 626 HG2 PRO 81 HG2 PRO 81 -11.266 -3.041 -25.730 627 HG3 PRO 81 HG3 PRO 81 -10.226 -4.462 -25.871 628 HD2 PRO 81 HD2 PRO 81 -12.550 -4.515 -24.427 629 HD3 PRO 81 HD3 PRO 81 -11.101 -5.483 -23.941 Start of MODEL 3 1 HA SER 1 HA SER 1 -5.231 -15.815 -5.720 2 HB2 SER 1 HB2 SER 1 -4.017 -16.178 -7.760 3 HB3 SER 1 HB3 SER 1 -5.520 -17.080 -7.860 4 HG SER 1 HG SER 1 -5.131 -14.492 -8.891 5 H VAL 2 H VAL 2 -3.220 -14.523 -6.700 6 HA VAL 2 HA VAL 2 -4.021 -11.651 -6.523 7 HB VAL 2 HB VAL 2 -1.364 -12.958 -5.796 8 HG11 VAL 2 HG11 VAL 2 -0.813 -10.785 -4.818 9 HG12 VAL 2 HG12 VAL 2 -1.090 -10.674 -6.572 10 HG13 VAL 2 HG13 VAL 2 -2.342 -10.118 -5.435 11 HG21 VAL 2 HG21 VAL 2 -2.037 -12.466 -3.466 12 HG22 VAL 2 HG22 VAL 2 -3.605 -11.858 -4.050 13 HG23 VAL 2 HG23 VAL 2 -3.187 -13.576 -4.248 14 H LYS 3 H LYS 3 -4.115 -10.834 -8.516 15 HA LYS 3 HA LYS 3 -2.488 -11.853 -10.685 16 HB2 LYS 3 HB2 LYS 3 -4.760 -10.934 -11.047 17 HB3 LYS 3 HB3 LYS 3 -4.214 -9.349 -10.516 18 HG2 LYS 3 HG2 LYS 3 -2.697 -9.193 -12.427 19 HG3 LYS 3 HG3 LYS 3 -3.153 -10.821 -12.945 20 HD2 LYS 3 HD2 LYS 3 -5.472 -10.100 -13.283 21 HD3 LYS 3 HD3 LYS 3 -5.080 -8.484 -12.676 22 HE2 LYS 3 HE2 LYS 3 -3.489 -8.169 -14.546 23 HE3 LYS 3 HE3 LYS 3 -3.879 -9.781 -15.152 24 HZ1 LYS 3 HZ1 LYS 3 -5.104 -8.086 -16.298 25 HZ2 LYS 3 HZ2 LYS 3 -6.145 -9.053 -15.460 26 HZ3 LYS 3 HZ3 LYS 3 -5.780 -7.547 -14.894 27 H GLU 4 H GLU 4 -2.647 -8.606 -9.169 28 HA GLU 4 HA GLU 4 0.175 -8.208 -10.067 29 HB2 GLU 4 HB2 GLU 4 -2.013 -6.179 -9.459 30 HB3 GLU 4 HB3 GLU 4 -0.345 -5.756 -9.822 31 HG2 GLU 4 HG2 GLU 4 -0.570 -6.819 -12.042 32 HG3 GLU 4 HG3 GLU 4 -2.252 -7.202 -11.676 33 H THR 5 H THR 5 1.691 -7.300 -8.686 34 HA THR 5 HA THR 5 0.922 -7.394 -5.798 35 HB THR 5 HB THR 5 3.230 -8.194 -5.318 36 HG1 THR 5 HG1 THR 5 4.557 -7.760 -6.931 37 HG21 THR 5 HG21 THR 5 2.945 -10.484 -6.183 38 HG22 THR 5 HG22 THR 5 1.398 -9.828 -5.595 39 HG23 THR 5 HG23 THR 5 1.728 -9.899 -7.340 40 H LYS 6 H LYS 6 1.372 -5.240 -8.037 41 HA LYS 6 HA LYS 6 3.709 -3.777 -7.418 42 HB2 LYS 6 HB2 LYS 6 2.326 -3.369 -9.426 43 HB3 LYS 6 HB3 LYS 6 1.023 -2.751 -8.420 44 HG2 LYS 6 HG2 LYS 6 2.414 -0.868 -7.714 45 HG3 LYS 6 HG3 LYS 6 3.781 -1.508 -8.637 46 HD2 LYS 6 HD2 LYS 6 2.482 -1.287 -10.728 47 HD3 LYS 6 HD3 LYS 6 1.104 -0.661 -9.808 48 HE2 LYS 6 HE2 LYS 6 2.440 1.266 -9.074 49 HE3 LYS 6 HE3 LYS 6 3.855 0.632 -9.919 50 HZ1 LYS 6 HZ1 LYS 6 2.737 2.302 -11.204 51 HZ2 LYS 6 HZ2 LYS 6 2.650 0.851 -11.983 52 HZ3 LYS 6 HZ3 LYS 6 1.329 1.446 -11.193 53 H LEU 7 H LEU 7 0.389 -3.364 -6.154 54 HA LEU 7 HA LEU 7 1.103 -1.123 -4.500 55 HB2 LEU 7 HB2 LEU 7 -1.260 -3.028 -4.367 56 HB3 LEU 7 HB3 LEU 7 -1.120 -1.533 -3.436 57 HG LEU 7 HG LEU 7 -1.332 -1.771 -6.457 58 HD11 LEU 7 HD11 LEU 7 -3.479 -0.634 -6.102 59 HD12 LEU 7 HD12 LEU 7 -3.414 -2.197 -5.252 60 HD13 LEU 7 HD13 LEU 7 -3.211 -0.680 -4.343 61 HD21 LEU 7 HD21 LEU 7 -1.376 0.701 -6.413 62 HD22 LEU 7 HD22 LEU 7 -1.079 0.675 -4.658 63 HD23 LEU 7 HD23 LEU 7 0.167 0.076 -5.780 64 H TYR 8 H TYR 8 0.980 -4.612 -3.993 65 HA TYR 8 HA TYR 8 1.331 -4.512 -1.137 66 HB2 TYR 8 HB2 TYR 8 1.968 -6.684 -3.173 67 HB3 TYR 8 HB3 TYR 8 2.083 -6.903 -1.431 68 HD1 TYR 8 HD1 TYR 8 0.070 -7.482 -4.174 69 HD2 TYR 8 HD2 TYR 8 -0.158 -6.029 -0.145 70 HE1 TYR 8 HE1 TYR 8 -2.325 -8.086 -4.091 71 HE2 TYR 8 HE2 TYR 8 -2.552 -6.634 -0.062 72 HH TYR 8 HH TYR 8 -4.215 -7.962 -2.902 73 H ASP 9 H ASP 9 3.557 -4.533 -3.880 74 HA ASP 9 HA ASP 9 5.938 -4.841 -2.278 75 HB2 ASP 9 HB2 ASP 9 5.456 -3.798 -5.091 76 HB3 ASP 9 HB3 ASP 9 7.059 -3.888 -4.377 77 H LEU 10 H LEU 10 4.064 -2.074 -3.446 78 HA LEU 10 HA LEU 10 5.886 -0.031 -2.667 79 HB2 LEU 10 HB2 LEU 10 2.862 -0.089 -2.887 80 HB3 LEU 10 HB3 LEU 10 3.765 1.378 -2.497 81 HG LEU 10 HG LEU 10 4.103 -0.227 -5.055 82 HD11 LEU 10 HD11 LEU 10 2.867 1.614 -6.107 83 HD12 LEU 10 HD12 LEU 10 1.876 0.762 -4.899 84 HD13 LEU 10 HD13 LEU 10 2.593 2.344 -4.507 85 HD21 LEU 10 HD21 LEU 10 5.351 1.778 -5.785 86 HD22 LEU 10 HD22 LEU 10 5.113 2.512 -4.181 87 HD23 LEU 10 HD23 LEU 10 6.104 1.043 -4.349 88 H LEU 11 H LEU 11 3.321 -1.723 -0.876 89 HA LEU 11 HA LEU 11 3.814 -0.170 1.549 90 HB2 LEU 11 HB2 LEU 11 2.197 -2.692 1.040 91 HB3 LEU 11 HB3 LEU 11 2.246 -1.830 2.580 92 HG LEU 11 HG LEU 11 1.143 -0.765 -0.044 93 HD11 LEU 11 HD11 LEU 11 -1.001 -0.858 1.148 94 HD12 LEU 11 HD12 LEU 11 -0.254 -2.466 1.014 95 HD13 LEU 11 HD13 LEU 11 -0.187 -1.581 2.555 96 HD21 LEU 11 HD21 LEU 11 0.455 1.179 1.319 97 HD22 LEU 11 HD22 LEU 11 1.290 0.486 2.731 98 HD23 LEU 11 HD23 LEU 11 2.227 1.001 1.307 99 H GLY 12 H GLY 12 4.931 -3.165 0.134 100 HA2 GLY 12 HA2 GLY 12 6.807 -4.424 0.775 101 HA3 GLY 12 HA3 GLY 12 6.986 -3.422 2.203 102 H VAL 13 H VAL 13 4.175 -5.314 1.053 103 HA VAL 13 HA VAL 13 4.372 -7.023 3.472 104 HB VAL 13 HB VAL 13 2.963 -5.059 4.082 105 HG11 VAL 13 HG11 VAL 13 0.795 -4.729 2.997 106 HG12 VAL 13 HG12 VAL 13 2.149 -4.482 1.868 107 HG13 VAL 13 HG13 VAL 13 1.199 -5.986 1.806 108 HG21 VAL 13 HG21 VAL 13 1.003 -6.357 4.856 109 HG22 VAL 13 HG22 VAL 13 1.423 -7.664 3.724 110 HG23 VAL 13 HG23 VAL 13 2.511 -7.275 5.076 111 H SER 14 H SER 14 3.446 -9.025 3.284 112 HA SER 14 HA SER 14 3.280 -10.107 0.663 113 HB2 SER 14 HB2 SER 14 3.853 -11.494 2.562 114 HB3 SER 14 HB3 SER 14 2.309 -11.165 3.333 115 HG SER 14 HG SER 14 2.948 -12.996 1.526 116 HA PRO 15 HA PRO 15 -0.777 -9.116 -0.678 117 HB2 PRO 15 HB2 PRO 15 -0.548 -11.837 -2.002 118 HB3 PRO 15 HB3 PRO 15 -1.025 -10.290 -2.713 119 HG2 PRO 15 HG2 PRO 15 1.431 -11.196 -3.191 120 HG3 PRO 15 HG3 PRO 15 1.212 -9.485 -2.814 121 HD2 PRO 15 HD2 PRO 15 2.120 -11.748 -0.987 122 HD3 PRO 15 HD3 PRO 15 2.796 -10.077 -1.151 123 H SER 16 H SER 16 0.170 -12.107 0.888 124 HA SER 16 HA SER 16 -2.537 -13.133 1.200 125 HB2 SER 16 HB2 SER 16 -1.514 -14.887 2.495 126 HB3 SER 16 HB3 SER 16 -0.512 -14.583 1.084 127 HG SER 16 HG SER 16 0.816 -13.312 2.372 128 H ALA 17 H ALA 17 -0.784 -10.680 2.694 129 HA ALA 17 HA ALA 17 -1.618 -11.041 5.416 130 HB1 ALA 17 HB1 ALA 17 -0.983 -8.665 5.686 131 HB2 ALA 17 HB2 ALA 17 0.262 -9.586 4.807 132 HB3 ALA 17 HB3 ALA 17 -0.843 -8.510 3.921 133 H ASN 18 H ASN 18 -3.282 -10.177 6.589 134 HA ASN 18 HA ASN 18 -5.701 -9.585 5.030 135 HB2 ASN 18 HB2 ASN 18 -6.874 -9.745 7.135 136 HB3 ASN 18 HB3 ASN 18 -5.756 -11.096 7.004 137 HD21 ASN 18 HD21 ASN 18 -4.844 -10.326 10.280 138 HD22 ASN 18 HD22 ASN 18 -5.672 -11.412 9.216 139 H GLU 19 H GLU 19 -7.174 -7.876 6.365 140 HA GLU 19 HA GLU 19 -6.269 -5.444 5.268 141 HB2 GLU 19 HB2 GLU 19 -8.648 -5.970 5.757 142 HB3 GLU 19 HB3 GLU 19 -8.320 -5.857 7.480 143 HG2 GLU 19 HG2 GLU 19 -7.728 -3.486 7.222 144 HG3 GLU 19 HG3 GLU 19 -8.039 -3.595 5.490 145 H GLN 20 H GLN 20 -6.207 -6.563 8.655 146 HA GLN 20 HA GLN 20 -5.236 -4.082 9.713 147 HB2 GLN 20 HB2 GLN 20 -5.141 -6.926 10.789 148 HB3 GLN 20 HB3 GLN 20 -4.592 -5.531 11.705 149 HG2 GLN 20 HG2 GLN 20 -6.823 -4.559 11.634 150 HG3 GLN 20 HG3 GLN 20 -7.396 -5.928 10.642 151 HE21 GLN 20 HE21 GLN 20 -8.287 -6.453 14.245 152 HE22 GLN 20 HE22 GLN 20 -8.559 -5.177 13.104 153 H GLU 21 H GLU 21 -3.609 -7.040 8.607 154 HA GLU 21 HA GLU 21 -0.977 -6.157 9.404 155 HB2 GLU 21 HB2 GLU 21 -1.912 -8.283 7.438 156 HB3 GLU 21 HB3 GLU 21 -0.222 -8.012 7.843 157 HG2 GLU 21 HG2 GLU 21 -2.404 -8.818 9.779 158 HG3 GLU 21 HG3 GLU 21 -1.179 -9.880 9.088 159 H LEU 22 H LEU 22 -2.911 -5.886 6.457 160 HA LEU 22 HA LEU 22 -0.870 -4.749 4.808 161 HB2 LEU 22 HB2 LEU 22 -3.889 -4.440 4.813 162 HB3 LEU 22 HB3 LEU 22 -2.845 -3.742 3.572 163 HG LEU 22 HG LEU 22 -3.046 -6.714 4.174 164 HD11 LEU 22 HD11 LEU 22 -4.363 -6.822 2.104 165 HD12 LEU 22 HD12 LEU 22 -5.165 -5.828 3.343 166 HD13 LEU 22 HD13 LEU 22 -4.319 -5.047 1.985 167 HD21 LEU 22 HD21 LEU 22 -1.856 -6.914 2.017 168 HD22 LEU 22 HD22 LEU 22 -1.777 -5.140 1.895 169 HD23 LEU 22 HD23 LEU 22 -0.897 -5.982 3.193 170 H LYS 23 H LYS 23 -3.187 -3.323 7.098 171 HA LYS 23 HA LYS 23 -2.479 -0.598 6.655 172 HB2 LYS 23 HB2 LYS 23 -4.465 -1.311 7.958 173 HB3 LYS 23 HB3 LYS 23 -3.418 -1.955 9.215 174 HG2 LYS 23 HG2 LYS 23 -2.581 0.284 9.720 175 HG3 LYS 23 HG3 LYS 23 -3.538 0.961 8.395 176 HD2 LYS 23 HD2 LYS 23 -5.616 0.213 9.504 177 HD3 LYS 23 HD3 LYS 23 -4.664 -0.481 10.825 178 HE2 LYS 23 HE2 LYS 23 -3.769 1.762 11.361 179 HE3 LYS 23 HE3 LYS 23 -4.716 2.458 10.044 180 HZ1 LYS 23 HZ1 LYS 23 -5.809 2.714 12.149 181 HZ2 LYS 23 HZ2 LYS 23 -6.707 1.734 11.172 182 HZ3 LYS 23 HZ3 LYS 23 -5.822 1.086 12.403 183 H LYS 24 H LYS 24 -1.137 -3.050 8.864 184 HA LYS 24 HA LYS 24 0.770 -1.396 10.142 185 HB2 LYS 24 HB2 LYS 24 0.832 -4.357 9.451 186 HB3 LYS 24 HB3 LYS 24 2.068 -3.574 10.427 187 HG2 LYS 24 HG2 LYS 24 0.392 -2.962 12.109 188 HG3 LYS 24 HG3 LYS 24 -0.883 -3.684 11.118 189 HD2 LYS 24 HD2 LYS 24 0.300 -5.883 11.266 190 HD3 LYS 24 HD3 LYS 24 1.490 -5.138 12.342 191 HE2 LYS 24 HE2 LYS 24 -0.272 -4.610 13.968 192 HE3 LYS 24 HE3 LYS 24 -1.498 -5.273 12.886 193 HZ1 LYS 24 HZ1 LYS 24 -0.863 -6.842 14.567 194 HZ2 LYS 24 HZ2 LYS 24 -0.430 -7.413 13.082 195 HZ3 LYS 24 HZ3 LYS 24 0.716 -6.792 14.093 196 H GLY 25 H GLY 25 0.969 -3.200 7.082 197 HA2 GLY 25 HA2 GLY 25 3.657 -2.620 6.415 198 HA3 GLY 25 HA3 GLY 25 2.369 -2.899 5.258 199 H TYR 26 H TYR 26 0.658 -0.776 5.759 200 HA TYR 26 HA TYR 26 1.912 1.376 4.372 201 HB2 TYR 26 HB2 TYR 26 -0.502 1.037 4.268 202 HB3 TYR 26 HB3 TYR 26 -0.655 1.279 6.003 203 HD1 TYR 26 HD1 TYR 26 0.837 3.095 3.072 204 HD2 TYR 26 HD2 TYR 26 -1.484 3.306 6.674 205 HE1 TYR 26 HE1 TYR 26 0.483 5.513 2.704 206 HE2 TYR 26 HE2 TYR 26 -1.837 5.724 6.306 207 HH TYR 26 HH TYR 26 -0.708 7.321 3.366 208 H ARG 27 H ARG 27 1.142 0.929 7.821 209 HA ARG 27 HA ARG 27 1.893 3.500 8.709 210 HB2 ARG 27 HB2 ARG 27 2.033 0.799 10.081 211 HB3 ARG 27 HB3 ARG 27 2.387 2.311 10.904 212 HG2 ARG 27 HG2 ARG 27 0.123 3.103 10.526 213 HG3 ARG 27 HG3 ARG 27 -0.252 1.643 9.577 214 HD2 ARG 27 HD2 ARG 27 -1.123 1.378 11.770 215 HD3 ARG 27 HD3 ARG 27 0.272 0.291 11.581 216 HE ARG 27 HE ARG 27 1.029 2.822 12.712 217 HH11 ARG 27 HH11 ARG 27 -0.430 -0.285 13.463 218 HH12 ARG 27 HH12 ARG 27 0.035 -0.236 15.149 219 HH21 ARG 27 HH21 ARG 27 1.627 2.873 14.903 220 HH22 ARG 27 HH22 ARG 27 1.198 1.551 15.966 221 H LYS 28 H LYS 28 3.859 0.563 8.251 222 HA LYS 28 HA LYS 28 6.302 1.725 9.214 223 HB2 LYS 28 HB2 LYS 28 5.747 -0.618 7.358 224 HB3 LYS 28 HB3 LYS 28 7.364 -0.173 7.885 225 HG2 LYS 28 HG2 LYS 28 6.730 -0.560 10.227 226 HG3 LYS 28 HG3 LYS 28 5.084 -0.967 9.721 227 HD2 LYS 28 HD2 LYS 28 5.974 -2.850 8.371 228 HD3 LYS 28 HD3 LYS 28 7.613 -2.450 8.908 229 HE2 LYS 28 HE2 LYS 28 6.958 -2.864 11.250 230 HE3 LYS 28 HE3 LYS 28 5.311 -3.237 10.733 231 HZ1 LYS 28 HZ1 LYS 28 6.602 -5.216 11.064 232 HZ2 LYS 28 HZ2 LYS 28 6.188 -5.082 9.472 233 HZ3 LYS 28 HZ3 LYS 28 7.725 -4.734 9.956 234 H ALA 29 H ALA 29 4.946 1.335 5.937 235 HA ALA 29 HA ALA 29 7.168 2.573 4.617 236 HB1 ALA 29 HB1 ALA 29 5.637 2.746 2.684 237 HB2 ALA 29 HB2 ALA 29 5.577 1.131 3.429 238 HB3 ALA 29 HB3 ALA 29 4.272 2.301 3.734 239 H ALA 30 H ALA 30 4.193 3.822 6.039 240 HA ALA 30 HA ALA 30 4.362 6.449 4.941 241 HB1 ALA 30 HB1 ALA 30 2.848 7.088 6.790 242 HB2 ALA 30 HB2 ALA 30 2.320 5.587 5.993 243 HB3 ALA 30 HB3 ALA 30 3.147 5.516 7.566 244 H LEU 31 H LEU 31 5.665 5.037 7.935 245 HA LEU 31 HA LEU 31 6.934 7.435 8.855 246 HB2 LEU 31 HB2 LEU 31 7.548 4.498 9.305 247 HB3 LEU 31 HB3 LEU 31 8.421 5.804 10.113 248 HG LEU 31 HG LEU 31 5.431 5.325 10.362 249 HD11 LEU 31 HD11 LEU 31 5.978 4.445 12.586 250 HD12 LEU 31 HD12 LEU 31 6.712 3.466 11.293 251 HD13 LEU 31 HD13 LEU 31 7.713 4.608 12.223 252 HD21 LEU 31 HD21 LEU 31 5.647 6.909 12.245 253 HD22 LEU 31 HD22 LEU 31 7.379 7.108 11.878 254 HD23 LEU 31 HD23 LEU 31 6.153 7.663 10.714 255 H LYS 32 H LYS 32 7.991 4.798 6.720 256 HA LYS 32 HA LYS 32 10.703 5.561 6.466 257 HB2 LYS 32 HB2 LYS 32 9.778 3.420 5.624 258 HB3 LYS 32 HB3 LYS 32 8.884 4.285 4.382 259 HG2 LYS 32 HG2 LYS 32 10.975 5.021 3.345 260 HG3 LYS 32 HG3 LYS 32 11.906 4.229 4.624 261 HD2 LYS 32 HD2 LYS 32 10.956 2.042 3.964 262 HD3 LYS 32 HD3 LYS 32 10.025 2.832 2.684 263 HE2 LYS 32 HE2 LYS 32 12.124 3.592 1.621 264 HE3 LYS 32 HE3 LYS 32 13.058 2.814 2.902 265 HZ1 LYS 32 HZ1 LYS 32 12.919 1.443 0.954 266 HZ2 LYS 32 HZ2 LYS 32 12.143 0.706 2.211 267 HZ3 LYS 32 HZ3 LYS 32 11.271 1.432 1.014 268 H TYR 33 H TYR 33 7.834 6.626 4.649 269 HA TYR 33 HA TYR 33 9.570 8.629 3.274 270 HB2 TYR 33 HB2 TYR 33 6.825 7.576 2.475 271 HB3 TYR 33 HB3 TYR 33 7.771 8.755 1.577 272 HD1 TYR 33 HD1 TYR 33 6.913 5.380 1.805 273 HD2 TYR 33 HD2 TYR 33 10.265 7.942 1.020 274 HE1 TYR 33 HE1 TYR 33 8.025 3.549 0.574 275 HE2 TYR 33 HE2 TYR 33 11.376 6.110 -0.212 276 HH TYR 33 HH TYR 33 11.168 4.048 -1.024 277 H HIS 34 H HIS 34 8.437 8.817 6.011 278 HA HIS 34 HA HIS 34 6.139 10.545 5.987 279 HB2 HIS 34 HB2 HIS 34 7.120 9.179 7.951 280 HB3 HIS 34 HB3 HIS 34 8.257 10.505 8.149 281 HD2 HIS 34 HD2 HIS 34 4.729 9.560 9.221 282 HE1 HIS 34 HE1 HIS 34 5.132 13.745 9.922 283 HE2 HIS 34 HE2 HIS 34 3.708 11.673 10.348 284 HA PRO 35 HA PRO 35 7.744 14.164 4.325 285 HB2 PRO 35 HB2 PRO 35 5.752 15.433 6.259 286 HB3 PRO 35 HB3 PRO 35 6.030 15.811 4.554 287 HG2 PRO 35 HG2 PRO 35 3.943 14.286 5.172 288 HG3 PRO 35 HG3 PRO 35 4.946 13.829 3.791 289 HD2 PRO 35 HD2 PRO 35 4.908 12.679 6.601 290 HD3 PRO 35 HD3 PRO 35 5.109 11.826 5.018 291 H ASP 36 H ASP 36 7.389 13.765 7.825 292 HA ASP 36 HA ASP 36 9.061 16.149 8.352 293 HB2 ASP 36 HB2 ASP 36 7.497 14.300 10.195 294 HB3 ASP 36 HB3 ASP 36 8.482 15.641 10.762 295 H LYS 37 H LYS 37 9.792 13.179 7.441 296 HA LYS 37 HA LYS 37 12.051 12.915 9.375 297 HB2 LYS 37 HB2 LYS 37 10.859 10.858 7.472 298 HB3 LYS 37 HB3 LYS 37 12.258 10.586 8.501 299 HG2 LYS 37 HG2 LYS 37 9.483 11.263 9.518 300 HG3 LYS 37 HG3 LYS 37 10.161 9.633 9.411 301 HD2 LYS 37 HD2 LYS 37 12.024 10.348 10.917 302 HD3 LYS 37 HD3 LYS 37 11.249 11.931 11.077 303 HE2 LYS 37 HE2 LYS 37 9.217 10.816 11.990 304 HE3 LYS 37 HE3 LYS 37 10.043 9.260 11.884 305 HZ1 LYS 37 HZ1 LYS 37 10.186 10.185 14.077 306 HZ2 LYS 37 HZ2 LYS 37 11.694 10.095 13.412 307 HZ3 LYS 37 HZ3 LYS 37 10.922 11.549 13.512 308 HA PRO 38 HA PRO 38 15.075 14.086 6.553 309 HB2 PRO 38 HB2 PRO 38 16.423 11.416 7.113 310 HB3 PRO 38 HB3 PRO 38 17.120 13.041 7.147 311 HG2 PRO 38 HG2 PRO 38 16.513 11.888 9.464 312 HG3 PRO 38 HG3 PRO 38 16.101 13.589 9.228 313 HD2 PRO 38 HD2 PRO 38 14.308 11.138 9.037 314 HD3 PRO 38 HD3 PRO 38 13.963 12.748 9.788 315 H THR 39 H THR 39 13.778 10.804 6.309 316 HA THR 39 HA THR 39 14.627 10.631 3.465 317 HB THR 39 HB THR 39 13.941 8.243 3.629 318 HG1 THR 39 HG1 THR 39 12.461 8.018 5.168 319 HG21 THR 39 HG21 THR 39 15.719 7.525 5.177 320 HG22 THR 39 HG22 THR 39 16.259 8.897 4.181 321 HG23 THR 39 HG23 THR 39 15.779 9.160 5.873 322 H GLY 40 H GLY 40 12.353 12.276 4.664 323 HA2 GLY 40 HA2 GLY 40 9.850 11.154 3.912 324 HA3 GLY 40 HA3 GLY 40 10.197 12.867 4.049 325 H ASP 41 H ASP 41 8.663 11.186 2.044 326 HA ASP 41 HA ASP 41 9.693 12.549 -0.344 327 HB2 ASP 41 HB2 ASP 41 10.964 10.399 -0.311 328 HB3 ASP 41 HB3 ASP 41 9.445 9.515 -0.289 329 H THR 42 H THR 42 7.900 13.607 -0.869 330 HA THR 42 HA THR 42 5.293 12.773 -0.107 331 HB THR 42 HB THR 42 6.141 14.759 -2.260 332 HG1 THR 42 HG1 THR 42 5.448 16.184 -0.411 333 HG21 THR 42 HG21 THR 42 3.872 15.684 -1.991 334 HG22 THR 42 HG22 THR 42 3.808 14.000 -2.564 335 HG23 THR 42 HG23 THR 42 3.468 14.373 -0.858 336 H GLU 43 H GLU 43 7.051 12.453 -3.178 337 HA GLU 43 HA GLU 43 4.884 11.495 -4.737 338 HB2 GLU 43 HB2 GLU 43 7.044 12.223 -5.697 339 HB3 GLU 43 HB3 GLU 43 7.852 10.846 -4.959 340 HG2 GLU 43 HG2 GLU 43 6.548 9.306 -6.336 341 HG3 GLU 43 HG3 GLU 43 5.660 10.657 -7.037 342 H LYS 44 H LYS 44 7.383 9.670 -2.936 343 HA LYS 44 HA LYS 44 6.200 7.110 -3.552 344 HB2 LYS 44 HB2 LYS 44 8.177 7.926 -1.384 345 HB3 LYS 44 HB3 LYS 44 7.750 6.265 -1.773 346 HG2 LYS 44 HG2 LYS 44 9.123 8.243 -3.617 347 HG3 LYS 44 HG3 LYS 44 9.868 6.864 -2.795 348 HD2 LYS 44 HD2 LYS 44 7.552 6.569 -4.735 349 HD3 LYS 44 HD3 LYS 44 9.246 6.508 -5.241 350 HE2 LYS 44 HE2 LYS 44 9.624 4.633 -3.635 351 HE3 LYS 44 HE3 LYS 44 7.906 4.663 -3.229 352 HZ1 LYS 44 HZ1 LYS 44 8.395 3.005 -4.870 353 HZ2 LYS 44 HZ2 LYS 44 7.414 4.160 -5.523 354 HZ3 LYS 44 HZ3 LYS 44 9.019 4.129 -5.902 355 H PHE 45 H PHE 45 5.861 9.422 -0.911 356 HA PHE 45 HA PHE 45 4.365 7.751 0.852 357 HB2 PHE 45 HB3 PHE 45 5.372 10.029 1.374 358 HB3 PHE 45 HB2 PHE 45 4.039 10.752 0.488 359 HD1 PHE 45 HD1 PHE 45 1.831 10.858 1.412 360 HD2 PHE 45 HD2 PHE 45 4.963 8.826 3.486 361 HE1 PHE 45 HE1 PHE 45 0.437 10.799 3.452 362 HE2 PHE 45 HE2 PHE 45 3.573 8.761 5.528 363 HZ PHE 45 HZ PHE 45 1.309 9.749 5.511 364 H LYS 46 H LYS 46 3.380 9.865 -1.838 365 HA LYS 46 HA LYS 46 0.569 9.444 -1.571 366 HB2 LYS 46 HB2 LYS 46 1.563 11.218 -2.988 367 HB3 LYS 46 HB3 LYS 46 2.213 9.998 -4.075 368 HG2 LYS 46 HG2 LYS 46 -0.052 9.292 -4.685 369 HG3 LYS 46 HG3 LYS 46 -0.737 10.456 -3.543 370 HD2 LYS 46 HD2 LYS 46 0.288 12.313 -4.801 371 HD3 LYS 46 HD3 LYS 46 1.012 11.159 -5.931 372 HE2 LYS 46 HE2 LYS 46 -1.247 10.388 -6.587 373 HE3 LYS 46 HE3 LYS 46 -1.970 11.542 -5.463 374 HZ1 LYS 46 HZ1 LYS 46 -1.931 12.388 -7.692 375 HZ2 LYS 46 HZ2 LYS 46 -0.965 13.315 -6.729 376 HZ3 LYS 46 HZ3 LYS 46 -0.291 12.238 -7.781 377 H GLU 47 H GLU 47 3.082 7.655 -3.338 378 HA GLU 47 HA GLU 47 1.344 5.914 -4.751 379 HB2 GLU 47 HB2 GLU 47 4.200 5.565 -3.769 380 HB3 GLU 47 HB3 GLU 47 3.383 4.362 -4.756 381 HG2 GLU 47 HG2 GLU 47 3.087 6.015 -6.548 382 HG3 GLU 47 HG3 GLU 47 3.877 7.238 -5.556 383 H ILE 48 H ILE 48 2.890 5.558 -1.555 384 HA ILE 48 HA ILE 48 1.766 2.917 -1.135 385 HB ILE 48 HB ILE 48 2.640 3.153 1.169 386 HG12 ILE 48 HG12 ILE 48 3.411 5.976 0.403 387 HG13 ILE 48 HG13 ILE 48 2.014 5.570 1.388 388 HG21 ILE 48 HG21 ILE 48 5.015 3.469 0.599 389 HG22 ILE 48 HG22 ILE 48 4.185 2.496 -0.637 390 HG23 ILE 48 HG23 ILE 48 4.548 4.209 -0.951 391 HD11 ILE 48 HD11 ILE 48 3.901 6.233 2.771 392 HD12 ILE 48 HD12 ILE 48 3.481 4.528 3.061 393 HD13 ILE 48 HD13 ILE 48 4.895 4.940 2.064 394 H SER 49 H SER 49 0.726 6.192 -0.551 395 HA SER 49 HA SER 49 -1.373 5.533 1.323 396 HB2 SER 49 HB2 SER 49 -0.969 7.884 -0.553 397 HB3 SER 49 HB3 SER 49 -2.283 7.777 0.610 398 HG SER 49 HG SER 49 0.469 7.960 1.026 399 H GLU 50 H GLU 50 -1.228 5.916 -2.221 400 HA GLU 50 HA GLU 50 -3.957 5.220 -2.714 401 HB2 GLU 50 HB2 GLU 50 -1.420 4.981 -4.360 402 HB3 GLU 50 HB3 GLU 50 -2.972 4.431 -4.974 403 HG2 GLU 50 HG2 GLU 50 -3.891 6.694 -4.707 404 HG3 GLU 50 HG3 GLU 50 -2.344 7.250 -4.075 405 H ALA 51 H ALA 51 -0.997 3.245 -2.472 406 HA ALA 51 HA ALA 51 -2.186 0.737 -2.994 407 HB1 ALA 51 HB1 ALA 51 -0.284 -0.213 -1.732 408 HB2 ALA 51 HB2 ALA 51 0.243 1.064 -2.854 409 HB3 ALA 51 HB3 ALA 51 0.107 1.407 -1.114 410 H PHE 52 H PHE 52 -1.802 2.478 0.095 411 HA PHE 52 HA PHE 52 -3.003 0.502 1.742 412 HB2 PHE 52 HB3 PHE 52 -1.785 2.354 2.724 413 HB3 PHE 52 HB2 PHE 52 -2.877 3.528 2.007 414 HD1 PHE 52 HD1 PHE 52 -2.977 0.556 4.278 415 HD2 PHE 52 HD2 PHE 52 -4.556 4.405 3.312 416 HE1 PHE 52 HE1 PHE 52 -4.385 0.487 6.310 417 HE2 PHE 52 HE2 PHE 52 -5.963 4.341 5.343 418 HZ PHE 52 HZ PHE 52 -5.878 2.379 6.842 419 H GLU 53 H GLU 53 -4.473 3.434 0.291 420 HA GLU 53 HA GLU 53 -7.074 3.021 1.279 421 HB2 GLU 53 HB2 GLU 53 -6.510 5.131 0.279 422 HB3 GLU 53 HB3 GLU 53 -6.078 4.376 -1.248 423 HG2 GLU 53 HG2 GLU 53 -8.182 5.471 -1.505 424 HG3 GLU 53 HG3 GLU 53 -8.450 3.730 -1.572 425 H ILE 54 H ILE 54 -5.639 1.915 -1.797 426 HA ILE 54 HA ILE 54 -8.052 0.692 -2.755 427 HB ILE 54 HB ILE 54 -5.126 0.283 -3.486 428 HG12 ILE 54 HG12 ILE 54 -7.338 1.613 -5.055 429 HG13 ILE 54 HG13 ILE 54 -6.284 2.488 -3.955 430 HG21 ILE 54 HG21 ILE 54 -5.950 -0.940 -5.458 431 HG22 ILE 54 HG22 ILE 54 -6.390 -1.782 -3.954 432 HG23 ILE 54 HG23 ILE 54 -7.613 -0.834 -4.833 433 HD11 ILE 54 HD11 ILE 54 -5.506 2.674 -6.251 434 HD12 ILE 54 HD12 ILE 54 -4.323 1.788 -5.258 435 HD13 ILE 54 HD13 ILE 54 -5.391 0.902 -6.373 436 H LEU 55 H LEU 55 -5.284 -0.509 -0.888 437 HA LEU 55 HA LEU 55 -6.328 -3.259 -0.992 438 HB2 LEU 55 HB2 LEU 55 -3.907 -2.065 0.405 439 HB3 LEU 55 HB3 LEU 55 -4.303 -3.786 0.363 440 HG LEU 55 HG LEU 55 -3.639 -2.079 -2.063 441 HD11 LEU 55 HD11 LEU 55 -1.535 -3.343 -2.068 442 HD12 LEU 55 HD12 LEU 55 -1.723 -2.387 -0.580 443 HD13 LEU 55 HD13 LEU 55 -2.012 -4.143 -0.552 444 HD21 LEU 55 HD21 LEU 55 -3.566 -4.262 -3.222 445 HD22 LEU 55 HD22 LEU 55 -4.071 -5.076 -1.722 446 HD23 LEU 55 HD23 LEU 55 -5.181 -3.951 -2.541 447 H ASN 56 H ASN 56 -6.844 -0.513 0.879 448 HA ASN 56 HA ASN 56 -7.398 -1.935 3.379 449 HB2 ASN 56 HB2 ASN 56 -6.661 0.450 3.317 450 HB3 ASN 56 HB3 ASN 56 -8.175 0.873 2.527 451 HD21 ASN 56 HD21 ASN 56 -9.934 1.160 5.479 452 HD22 ASN 56 HD22 ASN 56 -9.786 1.490 3.785 453 H ASP 57 H ASP 57 -9.454 -0.137 1.057 454 HA ASP 57 HA ASP 57 -11.904 -1.249 2.008 455 HB2 ASP 57 HB2 ASP 57 -11.725 0.792 0.574 456 HB3 ASP 57 HB3 ASP 57 -11.247 -0.220 -0.782 457 HA PRO 58 HA PRO 58 -11.246 -5.421 0.793 458 HB2 PRO 58 HB2 PRO 58 -14.281 -5.351 1.109 459 HB3 PRO 58 HB3 PRO 58 -13.138 -6.579 1.670 460 HG2 PRO 58 HG2 PRO 58 -14.048 -4.821 3.441 461 HG3 PRO 58 HG3 PRO 58 -12.325 -5.215 3.447 462 HD2 PRO 58 HD2 PRO 58 -13.731 -2.778 2.305 463 HD3 PRO 58 HD3 PRO 58 -12.157 -2.879 3.189 464 H GLN 59 H GLN 59 -13.786 -3.316 -0.548 465 HA GLN 59 HA GLN 59 -14.335 -4.949 -2.857 466 HB2 GLN 59 HB2 GLN 59 -15.901 -3.221 -1.960 467 HB3 GLN 59 HB3 GLN 59 -14.780 -1.963 -2.457 468 HG2 GLN 59 HG2 GLN 59 -16.548 -2.140 -4.066 469 HG3 GLN 59 HG3 GLN 59 -15.028 -2.709 -4.810 470 HE21 GLN 59 HE21 GLN 59 -16.478 -5.666 -5.855 471 HE22 GLN 59 HE22 GLN 59 -15.374 -4.358 -6.128 472 H LYS 60 H LYS 60 -12.228 -2.137 -2.283 473 HA LYS 60 HA LYS 60 -11.376 -1.965 -5.041 474 HB2 LYS 60 HB2 LYS 60 -10.222 -0.828 -2.466 475 HB3 LYS 60 HB3 LYS 60 -9.558 -0.489 -4.058 476 HG2 LYS 60 HG2 LYS 60 -11.697 0.529 -4.744 477 HG3 LYS 60 HG3 LYS 60 -12.372 0.181 -3.146 478 HD2 LYS 60 HD2 LYS 60 -10.579 1.576 -2.114 479 HD3 LYS 60 HD3 LYS 60 -9.983 1.968 -3.733 480 HE2 LYS 60 HE2 LYS 60 -12.181 2.971 -4.290 481 HE3 LYS 60 HE3 LYS 60 -12.758 2.600 -2.663 482 HZ1 LYS 60 HZ1 LYS 60 -12.005 4.857 -2.840 483 HZ2 LYS 60 HZ2 LYS 60 -11.037 4.028 -1.792 484 HZ3 LYS 60 HZ3 LYS 60 -10.500 4.376 -3.311 485 H ARG 61 H ARG 61 -10.096 -3.522 -2.127 486 HA ARG 61 HA ARG 61 -7.619 -4.373 -3.263 487 HB2 ARG 61 HB2 ARG 61 -8.136 -4.414 -0.834 488 HB3 ARG 61 HB3 ARG 61 -9.287 -5.714 -1.106 489 HG2 ARG 61 HG2 ARG 61 -7.530 -7.222 -1.775 490 HG3 ARG 61 HG3 ARG 61 -6.328 -5.909 -1.723 491 HD2 ARG 61 HD2 ARG 61 -6.145 -7.237 0.249 492 HD3 ARG 61 HD3 ARG 61 -6.804 -5.641 0.678 493 HE ARG 61 HE ARG 61 -8.359 -8.167 0.512 494 HH11 ARG 61 HH11 ARG 61 -7.929 -4.886 1.692 495 HH12 ARG 61 HH12 ARG 61 -9.300 -4.963 2.775 496 HH21 ARG 61 HH21 ARG 61 -10.138 -8.254 1.922 497 HH22 ARG 61 HH22 ARG 61 -10.552 -6.868 2.905 498 H GLU 62 H GLU 62 -10.809 -5.966 -3.039 499 HA GLU 62 HA GLU 62 -10.126 -8.379 -4.342 500 HB2 GLU 62 HB2 GLU 62 -12.295 -7.981 -3.215 501 HB3 GLU 62 HB3 GLU 62 -12.743 -6.823 -4.459 502 HG2 GLU 62 HG2 GLU 62 -12.715 -8.592 -6.149 503 HG3 GLU 62 HG3 GLU 62 -12.209 -9.763 -4.932 504 H ILE 63 H ILE 63 -11.306 -5.302 -5.731 505 HA ILE 63 HA ILE 63 -11.329 -6.160 -8.435 506 HB ILE 63 HB ILE 63 -10.947 -3.406 -7.201 507 HG12 ILE 63 HG12 ILE 63 -13.337 -4.571 -8.635 508 HG13 ILE 63 HG13 ILE 63 -13.120 -4.666 -6.895 509 HG21 ILE 63 HG21 ILE 63 -11.409 -2.504 -9.445 510 HG22 ILE 63 HG22 ILE 63 -9.905 -3.455 -9.435 511 HG23 ILE 63 HG23 ILE 63 -11.395 -4.152 -10.115 512 HD11 ILE 63 HD11 ILE 63 -14.563 -2.804 -7.499 513 HD12 ILE 63 HD12 ILE 63 -13.057 -2.214 -6.756 514 HD13 ILE 63 HD13 ILE 63 -13.279 -2.118 -8.520 515 H TYR 64 H TYR 64 -8.757 -4.641 -6.493 516 HA TYR 64 HA TYR 64 -6.829 -4.446 -8.572 517 HB2 TYR 64 HB2 TYR 64 -6.518 -3.294 -6.446 518 HB3 TYR 64 HB3 TYR 64 -6.491 -4.819 -5.571 519 HD1 TYR 64 HD1 TYR 64 -4.691 -3.013 -8.312 520 HD2 TYR 64 HD2 TYR 64 -4.467 -5.816 -5.072 521 HE1 TYR 64 HE1 TYR 64 -2.235 -3.119 -8.573 522 HE2 TYR 64 HE2 TYR 64 -2.011 -5.921 -5.332 523 HH TYR 64 HH TYR 64 -0.359 -4.152 -7.926 524 H ASP 65 H ASP 65 -7.409 -7.051 -6.196 525 HA ASP 65 HA ASP 65 -5.224 -8.671 -7.059 526 HB2 ASP 65 HB2 ASP 65 -7.809 -9.349 -5.610 527 HB3 ASP 65 HB3 ASP 65 -6.550 -10.536 -5.922 528 H GLN 66 H GLN 66 -8.561 -8.384 -8.167 529 HA GLN 66 HA GLN 66 -8.363 -10.859 -9.740 530 HB2 GLN 66 HB2 GLN 66 -10.575 -8.800 -9.391 531 HB3 GLN 66 HB3 GLN 66 -10.711 -10.191 -10.457 532 HG2 GLN 66 HG2 GLN 66 -10.440 -11.707 -8.565 533 HG3 GLN 66 HG3 GLN 66 -10.243 -10.310 -7.470 534 HE21 GLN 66 HE21 GLN 66 -13.763 -11.573 -7.333 535 HE22 GLN 66 HE22 GLN 66 -12.203 -12.291 -7.097 536 H TYR 67 H TYR 67 -8.309 -7.362 -10.264 537 HA TYR 67 HA TYR 67 -8.251 -7.884 -13.209 538 HB2 TYR 67 HB2 TYR 67 -9.419 -5.489 -11.733 539 HB3 TYR 67 HB3 TYR 67 -9.348 -5.674 -13.480 540 HD1 TYR 67 HD1 TYR 67 -10.575 -7.666 -14.530 541 HD2 TYR 67 HD2 TYR 67 -11.218 -6.332 -10.504 542 HE1 TYR 67 HE1 TYR 67 -12.759 -8.823 -14.496 543 HE2 TYR 67 HE2 TYR 67 -13.401 -7.491 -10.469 544 HH TYR 67 HH TYR 67 -14.546 -9.342 -13.280 545 H GLY 68 H GLY 68 -7.187 -5.646 -10.638 546 HA2 GLY 68 HA2 GLY 68 -4.639 -5.469 -10.643 547 HA3 GLY 68 HA3 GLY 68 -4.791 -5.046 -12.338 548 H LEU 69 H LEU 69 -3.506 -3.173 -11.247 549 HA LEU 69 HA LEU 69 -4.849 -1.376 -9.480 550 HB2 LEU 69 HB2 LEU 69 -2.419 -1.413 -9.684 551 HB3 LEU 69 HB3 LEU 69 -2.520 -0.940 -11.382 552 HG LEU 69 HG LEU 69 -3.436 1.262 -10.707 553 HD11 LEU 69 HD11 LEU 69 -3.424 1.892 -8.334 554 HD12 LEU 69 HD12 LEU 69 -4.552 0.554 -8.654 555 HD13 LEU 69 HD13 LEU 69 -2.976 0.228 -7.894 556 HD21 LEU 69 HD21 LEU 69 -1.339 2.116 -9.715 557 HD22 LEU 69 HD22 LEU 69 -0.860 0.453 -9.293 558 HD23 LEU 69 HD23 LEU 69 -1.002 0.933 -11.003 559 H GLU 70 H GLU 70 -4.318 -1.267 -13.013 560 HA GLU 70 HA GLU 70 -5.473 1.219 -13.550 561 HB2 GLU 70 HB2 GLU 70 -4.331 -0.189 -15.242 562 HB3 GLU 70 HB3 GLU 70 -5.676 -1.322 -15.221 563 HG2 GLU 70 HG2 GLU 70 -7.176 0.423 -16.074 564 HG3 GLU 70 HG3 GLU 70 -5.843 1.576 -16.072 565 H ALA 71 H ALA 71 -7.116 -1.949 -13.336 566 HA ALA 71 HA ALA 71 -9.734 -0.913 -13.824 567 HB1 ALA 71 HB1 ALA 71 -10.521 -3.054 -12.869 568 HB2 ALA 71 HB2 ALA 71 -9.200 -3.300 -14.035 569 HB3 ALA 71 HB3 ALA 71 -8.873 -3.393 -12.290 570 H ALA 72 H ALA 72 -7.897 -1.472 -10.832 571 HA ALA 72 HA ALA 72 -10.011 -0.859 -9.033 572 HB1 ALA 72 HB1 ALA 72 -8.213 -0.461 -7.381 573 HB2 ALA 72 HB2 ALA 72 -7.930 -1.948 -8.318 574 HB3 ALA 72 HB3 ALA 72 -7.014 -0.472 -8.696 575 H ARG 73 H ARG 73 -7.677 1.203 -10.713 576 HA ARG 73 HA ARG 73 -8.388 3.621 -9.330 577 HB2 ARG 73 HB2 ARG 73 -7.090 3.092 -12.016 578 HB3 ARG 73 HB3 ARG 73 -7.368 4.715 -11.402 579 HG2 ARG 73 HG2 ARG 73 -5.964 4.193 -9.430 580 HG3 ARG 73 HG3 ARG 73 -5.646 2.581 -10.116 581 HD2 ARG 73 HD2 ARG 73 -4.673 3.624 -12.087 582 HD3 ARG 73 HD3 ARG 73 -4.970 5.228 -11.379 583 HE ARG 73 HE ARG 73 -2.889 3.324 -10.661 584 HH11 ARG 73 HH11 ARG 73 -4.730 6.149 -9.674 585 HH12 ARG 73 HH12 ARG 73 -3.518 6.697 -8.538 586 HH21 ARG 73 HH21 ARG 73 -1.324 4.046 -9.184 587 HH22 ARG 73 HH22 ARG 73 -1.589 5.507 -8.259 588 H SER 74 H SER 74 -9.556 2.043 -12.287 589 HA SER 74 HA SER 74 -11.299 4.292 -12.958 590 HB2 SER 74 HB2 SER 74 -11.991 2.939 -14.832 591 HB3 SER 74 HB3 SER 74 -10.244 2.837 -14.680 592 HG SER 74 HG SER 74 -10.798 0.927 -13.308 593 H GLY 75 H GLY 75 -11.504 1.372 -11.098 594 HA2 GLY 75 HA2 GLY 75 -13.385 1.247 -9.486 595 HA3 GLY 75 HA3 GLY 75 -14.444 1.837 -10.753 596 H GLY 76 H GLY 76 -12.805 0.074 -12.700 597 HA2 GLY 76 HA2 GLY 76 -12.719 -2.117 -13.462 598 HA3 GLY 76 HA3 GLY 76 -12.949 -2.644 -11.806 599 HA PRO 77 HA PRO 77 -16.689 -4.418 -13.313 600 HB2 PRO 77 HB2 PRO 77 -17.344 -4.215 -10.342 601 HB3 PRO 77 HB3 PRO 77 -17.588 -5.579 -11.440 602 HG2 PRO 77 HG2 PRO 77 -15.495 -5.646 -9.798 603 HG3 PRO 77 HG3 PRO 77 -15.275 -6.147 -11.476 604 HD2 PRO 77 HD2 PRO 77 -14.544 -3.514 -10.148 605 HD3 PRO 77 HD3 PRO 77 -13.622 -4.467 -11.378 606 H SER 78 H SER 78 -16.508 -1.644 -11.124 607 HA SER 78 HA SER 78 -19.273 -0.826 -11.564 608 HB2 SER 78 HB2 SER 78 -18.694 1.117 -10.251 609 HB3 SER 78 HB3 SER 78 -18.017 -0.309 -9.480 610 HG SER 78 HG SER 78 -16.147 0.463 -9.746 611 H PHE 79 H PHE 79 -16.684 1.511 -11.887 612 HA PHE 79 HA PHE 79 -17.936 2.316 -14.468 613 HB2 PHE 79 HB3 PHE 79 -16.241 3.909 -12.505 614 HB3 PHE 79 HB2 PHE 79 -16.901 4.538 -14.006 615 HD1 PHE 79 HD1 PHE 79 -17.519 3.870 -10.538 616 HD2 PHE 79 HD2 PHE 79 -19.424 4.594 -14.293 617 HE1 PHE 79 HE1 PHE 79 -19.604 4.487 -9.360 618 HE2 PHE 79 HE2 PHE 79 -21.509 5.214 -13.119 619 HZ PHE 79 HZ PHE 79 -21.599 5.158 -10.650 620 H GLY 80 H GLY 80 -15.767 0.239 -13.971 621 HA2 GLY 80 HA2 GLY 80 -13.524 1.468 -15.496 622 HA3 GLY 80 HA3 GLY 80 -13.475 -0.068 -14.651 623 HA PRO 81 HA PRO 81 -13.802 -1.038 -19.119 624 HB2 PRO 81 HB2 PRO 81 -12.625 -3.576 -17.930 625 HB3 PRO 81 HB3 PRO 81 -12.190 -2.744 -19.429 626 HG2 PRO 81 HG2 PRO 81 -10.602 -2.443 -17.314 627 HG3 PRO 81 HG3 PRO 81 -10.990 -1.028 -18.295 628 HD2 PRO 81 HD2 PRO 81 -12.194 -1.908 -15.640 629 HD3 PRO 81 HD3 PRO 81 -11.697 -0.251 -16.173 Start of MODEL 4 1 HA SER 1 HA SER 1 -2.929 -15.489 -3.474 2 HB2 SER 1 HB2 SER 1 -1.254 -13.765 -3.116 3 HB3 SER 1 HB3 SER 1 -0.472 -15.328 -3.294 4 HG SER 1 HG SER 1 0.387 -14.730 -5.076 5 H VAL 2 H VAL 2 -1.419 -13.173 -5.622 6 HA VAL 2 HA VAL 2 -4.136 -12.256 -6.458 7 HB VAL 2 HB VAL 2 -3.369 -9.921 -6.181 8 HG11 VAL 2 HG11 VAL 2 -3.369 -9.846 -3.736 9 HG12 VAL 2 HG12 VAL 2 -4.586 -10.980 -4.367 10 HG13 VAL 2 HG13 VAL 2 -3.063 -11.599 -3.682 11 HG21 VAL 2 HG21 VAL 2 -1.254 -9.469 -4.977 12 HG22 VAL 2 HG22 VAL 2 -0.887 -11.211 -4.970 13 HG23 VAL 2 HG23 VAL 2 -0.952 -10.321 -6.511 14 H LYS 3 H LYS 3 -4.125 -10.830 -8.353 15 HA LYS 3 HA LYS 3 -2.496 -11.928 -10.462 16 HB2 LYS 3 HB2 LYS 3 -4.786 -11.093 -10.856 17 HB3 LYS 3 HB3 LYS 3 -4.284 -9.463 -10.425 18 HG2 LYS 3 HG2 LYS 3 -2.785 -9.382 -12.363 19 HG3 LYS 3 HG3 LYS 3 -3.221 -11.044 -12.785 20 HD2 LYS 3 HD2 LYS 3 -5.549 -10.389 -13.141 21 HD3 LYS 3 HD3 LYS 3 -5.198 -8.742 -12.599 22 HE2 LYS 3 HE2 LYS 3 -3.617 -8.467 -14.492 23 HE3 LYS 3 HE3 LYS 3 -4.000 -10.100 -15.041 24 HZ1 LYS 3 HZ1 LYS 3 -5.258 -8.453 -16.223 25 HZ2 LYS 3 HZ2 LYS 3 -6.277 -9.402 -15.339 26 HZ3 LYS 3 HZ3 LYS 3 -5.918 -7.876 -14.827 27 H GLU 4 H GLU 4 -2.686 -8.585 -9.175 28 HA GLU 4 HA GLU 4 0.121 -8.211 -10.119 29 HB2 GLU 4 HB2 GLU 4 -2.067 -6.173 -9.544 30 HB3 GLU 4 HB3 GLU 4 -0.410 -5.756 -9.955 31 HG2 GLU 4 HG2 GLU 4 -0.668 -6.887 -12.131 32 HG3 GLU 4 HG3 GLU 4 -2.334 -7.289 -11.718 33 H THR 5 H THR 5 1.669 -7.309 -8.791 34 HA THR 5 HA THR 5 0.955 -7.348 -5.887 35 HB THR 5 HB THR 5 3.288 -8.091 -5.451 36 HG1 THR 5 HG1 THR 5 4.575 -7.622 -7.087 37 HG21 THR 5 HG21 THR 5 3.049 -10.389 -6.305 38 HG22 THR 5 HG22 THR 5 1.495 -9.774 -5.692 39 HG23 THR 5 HG23 THR 5 1.798 -9.840 -7.445 40 H LYS 6 H LYS 6 1.362 -5.222 -8.193 41 HA LYS 6 HA LYS 6 3.670 -3.710 -7.613 42 HB2 LYS 6 HB2 LYS 6 2.258 -3.354 -9.612 43 HB3 LYS 6 HB3 LYS 6 0.960 -2.735 -8.601 44 HG2 LYS 6 HG2 LYS 6 2.338 -0.824 -7.941 45 HG3 LYS 6 HG3 LYS 6 3.698 -1.461 -8.877 46 HD2 LYS 6 HD2 LYS 6 2.368 -1.286 -10.950 47 HD3 LYS 6 HD3 LYS 6 0.994 -0.669 -10.019 48 HE2 LYS 6 HE2 LYS 6 2.307 1.289 -9.330 49 HE3 LYS 6 HE3 LYS 6 3.720 0.665 -10.185 50 HZ1 LYS 6 HZ1 LYS 6 2.560 2.300 -11.476 51 HZ2 LYS 6 HZ2 LYS 6 2.486 0.836 -12.234 52 HZ3 LYS 6 HZ3 LYS 6 1.164 1.420 -11.437 53 H LEU 7 H LEU 7 0.375 -3.396 -6.270 54 HA LEU 7 HA LEU 7 1.084 -1.095 -4.669 55 HB2 LEU 7 HB2 LEU 7 -1.289 -2.988 -4.515 56 HB3 LEU 7 HB3 LEU 7 -1.144 -1.474 -3.616 57 HG LEU 7 HG LEU 7 -1.359 -1.781 -6.631 58 HD11 LEU 7 HD11 LEU 7 -3.490 -0.610 -6.301 59 HD12 LEU 7 HD12 LEU 7 -3.441 -2.151 -5.413 60 HD13 LEU 7 HD13 LEU 7 -3.221 -0.614 -4.543 61 HD21 LEU 7 HD21 LEU 7 -1.374 0.691 -6.650 62 HD22 LEU 7 HD22 LEU 7 -1.073 0.707 -4.896 63 HD23 LEU 7 HD23 LEU 7 0.163 0.065 -6.004 64 H TYR 8 H TYR 8 1.001 -4.575 -4.154 65 HA TYR 8 HA TYR 8 1.362 -4.444 -1.291 66 HB2 TYR 8 HB2 TYR 8 1.927 -6.641 -3.320 67 HB3 TYR 8 HB3 TYR 8 2.116 -6.847 -1.585 68 HD1 TYR 8 HD1 TYR 8 -0.124 -7.039 -4.337 69 HD2 TYR 8 HD2 TYR 8 0.045 -6.354 -0.105 70 HE1 TYR 8 HE1 TYR 8 -2.514 -7.633 -4.145 71 HE2 TYR 8 HE2 TYR 8 -2.347 -6.949 0.087 72 HH TYR 8 HH TYR 8 -4.277 -7.757 -2.784 73 H ASP 9 H ASP 9 3.533 -4.445 -4.068 74 HA ASP 9 HA ASP 9 5.948 -4.753 -2.513 75 HB2 ASP 9 HB2 ASP 9 5.407 -3.683 -5.305 76 HB3 ASP 9 HB3 ASP 9 7.024 -3.774 -4.621 77 H LEU 10 H LEU 10 4.041 -1.988 -3.640 78 HA LEU 10 HA LEU 10 5.845 0.060 -2.835 79 HB2 LEU 10 HB2 LEU 10 2.822 -0.026 -3.050 80 HB3 LEU 10 HB3 LEU 10 3.709 1.443 -2.635 81 HG LEU 10 HG LEU 10 4.068 -0.112 -5.220 82 HD11 LEU 10 HD11 LEU 10 2.802 1.727 -6.241 83 HD12 LEU 10 HD12 LEU 10 1.825 0.839 -5.047 84 HD13 LEU 10 HD13 LEU 10 2.515 2.423 -4.630 85 HD21 LEU 10 HD21 LEU 10 5.282 1.925 -5.917 86 HD22 LEU 10 HD22 LEU 10 5.033 2.627 -4.300 87 HD23 LEU 10 HD23 LEU 10 6.048 1.178 -4.494 88 H LEU 11 H LEU 11 3.265 -1.644 -1.067 89 HA LEU 11 HA LEU 11 3.749 -0.135 1.378 90 HB2 LEU 11 HB2 LEU 11 2.172 -2.671 0.827 91 HB3 LEU 11 HB3 LEU 11 2.214 -1.845 2.386 92 HG LEU 11 HG LEU 11 1.092 -0.727 -0.207 93 HD11 LEU 11 HD11 LEU 11 -1.052 -0.893 0.977 94 HD12 LEU 11 HD12 LEU 11 -0.276 -2.485 0.795 95 HD13 LEU 11 HD13 LEU 11 -0.228 -1.645 2.364 96 HD21 LEU 11 HD21 LEU 11 0.369 1.162 1.213 97 HD22 LEU 11 HD22 LEU 11 1.214 0.441 2.604 98 HD23 LEU 11 HD23 LEU 11 2.143 1.014 1.199 99 H GLY 12 H GLY 12 4.896 -3.113 -0.060 100 HA2 GLY 12 HA2 GLY 12 6.785 -4.359 0.560 101 HA3 GLY 12 HA3 GLY 12 6.988 -3.339 1.971 102 H VAL 13 H VAL 13 4.160 -5.257 0.912 103 HA VAL 13 HA VAL 13 4.433 -6.944 3.340 104 HB VAL 13 HB VAL 13 3.021 -4.987 3.966 105 HG11 VAL 13 HG11 VAL 13 0.825 -4.684 2.932 106 HG12 VAL 13 HG12 VAL 13 2.149 -4.437 1.768 107 HG13 VAL 13 HG13 VAL 13 1.212 -5.950 1.743 108 HG21 VAL 13 HG21 VAL 13 1.093 -6.295 4.800 109 HG22 VAL 13 HG22 VAL 13 1.496 -7.608 3.668 110 HG23 VAL 13 HG23 VAL 13 2.615 -7.198 4.992 111 H SER 14 H SER 14 3.566 -8.965 3.174 112 HA SER 14 HA SER 14 3.233 -10.019 0.540 113 HB2 SER 14 HB2 SER 14 4.049 -11.411 2.344 114 HB3 SER 14 HB3 SER 14 2.581 -11.159 3.273 115 HG SER 14 HG SER 14 3.105 -12.928 1.366 116 HA PRO 15 HA PRO 15 -1.006 -9.269 -0.212 117 HB2 PRO 15 HB2 PRO 15 -1.493 -11.237 -2.079 118 HB3 PRO 15 HB3 PRO 15 -0.559 -9.783 -2.448 119 HG2 PRO 15 HG2 PRO 15 0.447 -12.552 -1.664 120 HG3 PRO 15 HG3 PRO 15 0.990 -11.528 -2.997 121 HD2 PRO 15 HD2 PRO 15 2.356 -11.596 -0.653 122 HD3 PRO 15 HD3 PRO 15 2.182 -10.055 -1.584 123 H SER 16 H SER 16 0.295 -12.188 1.084 124 HA SER 16 HA SER 16 -2.275 -13.471 1.614 125 HB2 SER 16 HB2 SER 16 -0.991 -15.091 2.850 126 HB3 SER 16 HB3 SER 16 -0.135 -14.731 1.357 127 HG SER 16 HG SER 16 1.179 -13.335 2.498 128 H ALA 17 H ALA 17 -0.638 -10.830 2.908 129 HA ALA 17 HA ALA 17 -1.268 -11.202 5.696 130 HB1 ALA 17 HB1 ALA 17 -0.742 -8.793 5.895 131 HB2 ALA 17 HB2 ALA 17 0.498 -9.664 4.961 132 HB3 ALA 17 HB3 ALA 17 -0.707 -8.661 4.122 133 H ASN 18 H ASN 18 -2.874 -10.293 6.960 134 HA ASN 18 HA ASN 18 -5.430 -9.963 5.550 135 HB2 ASN 18 HB2 ASN 18 -6.441 -10.049 7.732 136 HB3 ASN 18 HB3 ASN 18 -5.232 -11.323 7.629 137 HD21 ASN 18 HD21 ASN 18 -4.057 -10.264 10.716 138 HD22 ASN 18 HD22 ASN 18 -4.785 -11.515 9.764 139 H GLU 19 H GLU 19 -6.893 -8.247 6.951 140 HA GLU 19 HA GLU 19 -6.215 -5.874 5.547 141 HB2 GLU 19 HB2 GLU 19 -8.202 -6.378 7.793 142 HB3 GLU 19 HB3 GLU 19 -8.087 -4.849 6.935 143 HG2 GLU 19 HG2 GLU 19 -8.675 -5.922 4.841 144 HG3 GLU 19 HG3 GLU 19 -8.662 -7.507 5.611 145 H GLN 20 H GLN 20 -5.932 -6.708 8.999 146 HA GLN 20 HA GLN 20 -5.023 -4.095 9.792 147 HB2 GLN 20 HB2 GLN 20 -4.801 -6.822 11.121 148 HB3 GLN 20 HB3 GLN 20 -4.258 -5.332 11.878 149 HG2 GLN 20 HG2 GLN 20 -6.519 -4.430 11.815 150 HG3 GLN 20 HG3 GLN 20 -7.089 -5.904 10.981 151 HE21 GLN 20 HE21 GLN 20 -7.823 -6.118 14.647 152 HE22 GLN 20 HE22 GLN 20 -8.184 -4.967 13.402 153 H GLU 21 H GLU 21 -3.372 -7.090 8.852 154 HA GLU 21 HA GLU 21 -0.730 -6.161 9.494 155 HB2 GLU 21 HB2 GLU 21 -1.743 -8.324 7.614 156 HB3 GLU 21 HB3 GLU 21 -0.033 -8.021 7.889 157 HG2 GLU 21 HG2 GLU 21 -0.236 -8.590 10.221 158 HG3 GLU 21 HG3 GLU 21 -1.992 -8.696 10.092 159 H LEU 22 H LEU 22 -2.730 -6.019 6.568 160 HA LEU 22 HA LEU 22 -0.752 -4.865 4.862 161 HB2 LEU 22 HB2 LEU 22 -3.779 -4.642 4.896 162 HB3 LEU 22 HB3 LEU 22 -2.767 -3.966 3.615 163 HG LEU 22 HG LEU 22 -2.900 -6.915 4.335 164 HD11 LEU 22 HD11 LEU 22 -4.208 -7.130 2.269 165 HD12 LEU 22 HD12 LEU 22 -5.032 -6.101 3.467 166 HD13 LEU 22 HD13 LEU 22 -4.197 -5.361 2.079 167 HD21 LEU 22 HD21 LEU 22 -1.700 -7.180 2.190 168 HD22 LEU 22 HD22 LEU 22 -1.653 -5.410 1.998 169 HD23 LEU 22 HD23 LEU 22 -0.762 -6.185 3.329 170 H LYS 23 H LYS 23 -3.110 -3.426 7.107 171 HA LYS 23 HA LYS 23 -2.472 -0.701 6.560 172 HB2 LYS 23 HB2 LYS 23 -4.458 -1.416 7.862 173 HB3 LYS 23 HB3 LYS 23 -3.412 -1.978 9.160 174 HG2 LYS 23 HG2 LYS 23 -2.647 0.303 9.583 175 HG3 LYS 23 HG3 LYS 23 -3.600 0.899 8.217 176 HD2 LYS 23 HD2 LYS 23 -5.674 0.138 9.326 177 HD3 LYS 23 HD3 LYS 23 -4.724 -0.472 10.688 178 HE2 LYS 23 HE2 LYS 23 -3.901 1.817 11.139 179 HE3 LYS 23 HE3 LYS 23 -4.848 2.427 9.779 180 HZ1 LYS 23 HZ1 LYS 23 -5.980 2.744 11.854 181 HZ2 LYS 23 HZ2 LYS 23 -6.834 1.696 10.910 182 HZ3 LYS 23 HZ3 LYS 23 -5.951 1.127 12.180 183 H LYS 24 H LYS 24 -1.097 -3.030 8.877 184 HA LYS 24 HA LYS 24 0.737 -1.250 10.113 185 HB2 LYS 24 HB2 LYS 24 0.846 -4.248 9.626 186 HB3 LYS 24 HB3 LYS 24 2.068 -3.389 10.554 187 HG2 LYS 24 HG2 LYS 24 0.367 -2.673 12.172 188 HG3 LYS 24 HG3 LYS 24 -0.887 -3.487 11.226 189 HD2 LYS 24 HD2 LYS 24 0.276 -5.651 11.562 190 HD3 LYS 24 HD3 LYS 24 1.509 -4.832 12.529 191 HE2 LYS 24 HE2 LYS 24 -0.226 -4.126 14.145 192 HE3 LYS 24 HE3 LYS 24 -1.460 -4.942 13.181 193 HZ1 LYS 24 HZ1 LYS 24 -0.729 -6.294 15.006 194 HZ2 LYS 24 HZ2 LYS 24 -0.317 -7.015 13.581 195 HZ3 LYS 24 HZ3 LYS 24 0.834 -6.253 14.483 196 H GLY 25 H GLY 25 1.025 -3.220 7.168 197 HA2 GLY 25 HA2 GLY 25 3.716 -2.634 6.514 198 HA3 GLY 25 HA3 GLY 25 2.450 -2.987 5.353 199 H TYR 26 H TYR 26 0.703 -0.876 5.689 200 HA TYR 26 HA TYR 26 1.941 1.260 4.279 201 HB2 TYR 26 HB2 TYR 26 -0.457 0.921 4.140 202 HB3 TYR 26 HB3 TYR 26 -0.645 1.131 5.875 203 HD1 TYR 26 HD1 TYR 26 0.804 3.010 2.963 204 HD2 TYR 26 HD2 TYR 26 -1.461 3.147 6.605 205 HE1 TYR 26 HE1 TYR 26 0.413 5.426 2.628 206 HE2 TYR 26 HE2 TYR 26 -1.852 5.564 6.269 207 HH TYR 26 HH TYR 26 -0.754 7.217 3.341 208 H ARG 27 H ARG 27 1.117 0.918 7.732 209 HA ARG 27 HA ARG 27 1.831 3.533 8.526 210 HB2 ARG 27 HB2 ARG 27 1.922 0.898 10.024 211 HB3 ARG 27 HB3 ARG 27 2.250 2.446 10.789 212 HG2 ARG 27 HG2 ARG 27 -0.000 3.220 10.290 213 HG3 ARG 27 HG3 ARG 27 -0.345 1.713 9.409 214 HD2 ARG 27 HD2 ARG 27 -1.286 1.560 11.582 215 HD3 ARG 27 HD3 ARG 27 0.116 0.468 11.498 216 HE ARG 27 HE ARG 27 0.835 3.056 12.516 217 HH11 ARG 27 HH11 ARG 27 -0.659 -0.003 13.386 218 HH12 ARG 27 HH12 ARG 27 -0.254 0.139 15.082 219 HH21 ARG 27 HH21 ARG 27 1.354 3.228 14.720 220 HH22 ARG 27 HH22 ARG 27 0.885 1.967 15.838 221 H LYS 28 H LYS 28 3.809 0.584 8.248 222 HA LYS 28 HA LYS 28 6.218 1.754 9.265 223 HB2 LYS 28 HB2 LYS 28 5.715 -0.608 7.416 224 HB3 LYS 28 HB3 LYS 28 7.319 -0.157 7.978 225 HG2 LYS 28 HG2 LYS 28 6.629 -0.518 10.308 226 HG3 LYS 28 HG3 LYS 28 4.995 -0.927 9.767 227 HD2 LYS 28 HD2 LYS 28 5.911 -2.827 8.460 228 HD3 LYS 28 HD3 LYS 28 7.538 -2.424 9.029 229 HE2 LYS 28 HE2 LYS 28 6.825 -2.808 11.362 230 HE3 LYS 28 HE3 LYS 28 5.192 -3.190 10.808 231 HZ1 LYS 28 HZ1 LYS 28 6.475 -5.161 11.195 232 HZ2 LYS 28 HZ2 LYS 28 6.100 -5.047 9.592 233 HZ3 LYS 28 HZ3 LYS 28 7.625 -4.692 10.111 234 H ALA 29 H ALA 29 4.989 1.329 5.941 235 HA ALA 29 HA ALA 29 7.230 2.605 4.695 236 HB1 ALA 29 HB1 ALA 29 5.753 2.768 2.718 237 HB2 ALA 29 HB2 ALA 29 5.693 1.149 3.453 238 HB3 ALA 29 HB3 ALA 29 4.365 2.301 3.725 239 H ALA 30 H ALA 30 4.188 3.808 6.018 240 HA ALA 30 HA ALA 30 4.366 6.445 4.948 241 HB1 ALA 30 HB1 ALA 30 2.783 7.054 6.748 242 HB2 ALA 30 HB2 ALA 30 2.300 5.551 5.923 243 HB3 ALA 30 HB3 ALA 30 3.074 5.479 7.523 244 H LEU 31 H LEU 31 5.600 5.018 7.962 245 HA LEU 31 HA LEU 31 6.785 7.427 8.960 246 HB2 LEU 31 HB2 LEU 31 7.440 4.495 9.389 247 HB3 LEU 31 HB3 LEU 31 8.263 5.806 10.243 248 HG LEU 31 HG LEU 31 5.275 5.274 10.388 249 HD11 LEU 31 HD11 LEU 31 5.765 4.365 12.615 250 HD12 LEU 31 HD12 LEU 31 6.555 3.419 11.330 251 HD13 LEU 31 HD13 LEU 31 7.507 4.560 12.311 252 HD21 LEU 31 HD21 LEU 31 5.408 6.830 12.304 253 HD22 LEU 31 HD22 LEU 31 7.146 7.061 11.995 254 HD23 LEU 31 HD23 LEU 31 5.950 7.616 10.802 255 H LYS 32 H LYS 32 7.980 4.835 6.841 256 HA LYS 32 HA LYS 32 10.675 5.676 6.676 257 HB2 LYS 32 HB2 LYS 32 9.828 3.517 5.789 258 HB3 LYS 32 HB3 LYS 32 8.963 4.375 4.521 259 HG2 LYS 32 HG2 LYS 32 11.128 5.215 3.637 260 HG3 LYS 32 HG3 LYS 32 11.972 4.286 4.885 261 HD2 LYS 32 HD2 LYS 32 10.989 2.196 3.999 262 HD3 LYS 32 HD3 LYS 32 10.134 3.122 2.758 263 HE2 LYS 32 HE2 LYS 32 12.415 3.979 1.999 264 HE3 LYS 32 HE3 LYS 32 13.131 2.775 3.073 265 HZ1 LYS 32 HZ1 LYS 32 12.927 1.957 0.842 266 HZ2 LYS 32 HZ2 LYS 32 11.965 1.073 1.849 267 HZ3 LYS 32 HZ3 LYS 32 11.297 2.198 0.845 268 H TYR 33 H TYR 33 7.838 6.676 4.774 269 HA TYR 33 HA TYR 33 9.570 8.678 3.403 270 HB2 TYR 33 HB2 TYR 33 6.788 7.714 2.628 271 HB3 TYR 33 HB3 TYR 33 7.820 8.783 1.691 272 HD1 TYR 33 HD1 TYR 33 6.701 5.513 1.987 273 HD2 TYR 33 HD2 TYR 33 10.288 7.756 1.265 274 HE1 TYR 33 HE1 TYR 33 7.696 3.558 0.847 275 HE2 TYR 33 HE2 TYR 33 11.281 5.800 0.127 276 HH TYR 33 HH TYR 33 9.409 2.865 -0.460 277 H HIS 34 H HIS 34 8.371 8.847 6.156 278 HA HIS 34 HA HIS 34 6.105 10.614 6.077 279 HB2 HIS 34 HB2 HIS 34 6.986 9.195 8.049 280 HB3 HIS 34 HB3 HIS 34 8.137 10.495 8.317 281 HD2 HIS 34 HD2 HIS 34 4.554 9.594 9.235 282 HE1 HIS 34 HE1 HIS 34 5.002 13.757 10.034 283 HE2 HIS 34 HE2 HIS 34 3.526 11.703 10.363 284 HA PRO 35 HA PRO 35 7.827 14.240 4.553 285 HB2 PRO 35 HB2 PRO 35 5.791 15.501 6.448 286 HB3 PRO 35 HB3 PRO 35 6.135 15.913 4.763 287 HG2 PRO 35 HG2 PRO 35 4.002 14.413 5.275 288 HG3 PRO 35 HG3 PRO 35 5.043 13.968 3.919 289 HD2 PRO 35 HD2 PRO 35 4.889 12.758 6.699 290 HD3 PRO 35 HD3 PRO 35 5.130 11.937 5.105 291 H ASP 36 H ASP 36 7.345 13.773 8.031 292 HA ASP 36 HA ASP 36 9.037 16.114 8.669 293 HB2 ASP 36 HB2 ASP 36 7.394 14.237 10.414 294 HB3 ASP 36 HB3 ASP 36 8.381 15.547 11.047 295 H LYS 37 H LYS 37 9.756 13.160 7.701 296 HA LYS 37 HA LYS 37 11.958 12.816 9.688 297 HB2 LYS 37 HB2 LYS 37 10.806 10.832 7.687 298 HB3 LYS 37 HB3 LYS 37 12.169 10.513 8.749 299 HG2 LYS 37 HG2 LYS 37 9.369 11.189 9.700 300 HG3 LYS 37 HG3 LYS 37 10.033 9.555 9.560 301 HD2 LYS 37 HD2 LYS 37 11.857 10.200 11.146 302 HD3 LYS 37 HD3 LYS 37 11.092 11.784 11.335 303 HE2 LYS 37 HE2 LYS 37 9.022 10.659 12.147 304 HE3 LYS 37 HE3 LYS 37 9.838 9.099 12.015 305 HZ1 LYS 37 HZ1 LYS 37 9.920 9.953 14.241 306 HZ2 LYS 37 HZ2 LYS 37 11.447 9.871 13.621 307 HZ3 LYS 37 HZ3 LYS 37 10.684 11.328 13.743 308 HA PRO 38 HA PRO 38 15.070 14.051 6.987 309 HB2 PRO 38 HB2 PRO 38 16.388 11.362 7.530 310 HB3 PRO 38 HB3 PRO 38 17.091 12.981 7.622 311 HG2 PRO 38 HG2 PRO 38 16.406 11.778 9.893 312 HG3 PRO 38 HG3 PRO 38 16.010 13.487 9.684 313 HD2 PRO 38 HD2 PRO 38 14.213 11.050 9.378 314 HD3 PRO 38 HD3 PRO 38 13.853 12.641 10.157 315 H THR 39 H THR 39 13.766 10.780 6.633 316 HA THR 39 HA THR 39 14.693 10.672 3.810 317 HB THR 39 HB THR 39 14.000 8.278 3.902 318 HG1 THR 39 HG1 THR 39 12.464 8.070 5.403 319 HG21 THR 39 HG21 THR 39 15.743 7.525 5.470 320 HG22 THR 39 HG22 THR 39 16.306 8.919 4.516 321 HG23 THR 39 HG23 THR 39 15.790 9.144 6.204 322 H GLY 40 H GLY 40 12.401 12.304 4.964 323 HA2 GLY 40 HA2 GLY 40 9.905 11.208 4.176 324 HA3 GLY 40 HA3 GLY 40 10.268 12.921 4.295 325 H ASP 41 H ASP 41 8.754 11.209 2.288 326 HA ASP 41 HA ASP 41 9.841 12.511 -0.110 327 HB2 ASP 41 HB2 ASP 41 11.089 10.354 -0.002 328 HB3 ASP 41 HB3 ASP 41 9.563 9.481 0.017 329 H THR 42 H THR 42 8.057 13.583 -0.656 330 HA THR 42 HA THR 42 5.431 12.759 0.052 331 HB THR 42 HB THR 42 6.329 14.743 -2.082 332 HG1 THR 42 HG1 THR 42 5.592 16.166 -0.239 333 HG21 THR 42 HG21 THR 42 4.060 15.674 -1.860 334 HG22 THR 42 HG22 THR 42 4.003 13.991 -2.434 335 HG23 THR 42 HG23 THR 42 3.627 14.365 -0.737 336 H GLU 43 H GLU 43 7.262 12.424 -2.974 337 HA GLU 43 HA GLU 43 5.128 11.495 -4.593 338 HB2 GLU 43 HB2 GLU 43 7.325 12.190 -5.491 339 HB3 GLU 43 HB3 GLU 43 8.091 10.803 -4.730 340 HG2 GLU 43 HG2 GLU 43 6.804 9.282 -6.142 341 HG3 GLU 43 HG3 GLU 43 5.959 10.646 -6.870 342 H LYS 44 H LYS 44 7.553 9.629 -2.733 343 HA LYS 44 HA LYS 44 6.350 7.090 -3.395 344 HB2 LYS 44 HB2 LYS 44 8.287 7.859 -1.174 345 HB3 LYS 44 HB3 LYS 44 7.850 6.208 -1.591 346 HG2 LYS 44 HG2 LYS 44 9.295 8.188 -3.375 347 HG3 LYS 44 HG3 LYS 44 9.995 6.784 -2.559 348 HD2 LYS 44 HD2 LYS 44 7.722 6.564 -4.560 349 HD3 LYS 44 HD3 LYS 44 9.429 6.475 -5.023 350 HE2 LYS 44 HE2 LYS 44 9.726 4.570 -3.434 351 HE3 LYS 44 HE3 LYS 44 7.997 4.630 -3.076 352 HZ1 LYS 44 HZ1 LYS 44 8.501 2.985 -4.729 353 HZ2 LYS 44 HZ2 LYS 44 7.561 4.170 -5.391 354 HZ3 LYS 44 HZ3 LYS 44 9.176 4.114 -5.725 355 H PHE 45 H PHE 45 6.004 9.374 -0.725 356 HA PHE 45 HA PHE 45 4.428 7.722 0.980 357 HB2 PHE 45 HB3 PHE 45 5.456 9.973 1.552 358 HB3 PHE 45 HB2 PHE 45 4.172 10.732 0.623 359 HD1 PHE 45 HD1 PHE 45 1.910 10.823 1.450 360 HD2 PHE 45 HD2 PHE 45 4.973 8.828 3.661 361 HE1 PHE 45 HE1 PHE 45 0.445 10.785 3.440 362 HE2 PHE 45 HE2 PHE 45 3.510 8.785 5.654 363 HZ PHE 45 HZ PHE 45 1.244 9.766 5.542 364 H LYS 46 H LYS 46 3.547 9.868 -1.720 365 HA LYS 46 HA LYS 46 0.722 9.496 -1.511 366 HB2 LYS 46 HB2 LYS 46 1.781 11.277 -2.877 367 HB3 LYS 46 HB3 LYS 46 2.418 10.061 -3.978 368 HG2 LYS 46 HG2 LYS 46 0.151 9.421 -4.636 369 HG3 LYS 46 HG3 LYS 46 -0.529 10.571 -3.477 370 HD2 LYS 46 HD2 LYS 46 0.559 12.436 -4.677 371 HD3 LYS 46 HD3 LYS 46 1.262 11.292 -5.829 372 HE2 LYS 46 HE2 LYS 46 -1.008 10.594 -6.522 373 HE3 LYS 46 HE3 LYS 46 -1.712 11.736 -5.375 374 HZ1 LYS 46 HZ1 LYS 46 -1.633 12.637 -7.581 375 HZ2 LYS 46 HZ2 LYS 46 -0.653 13.516 -6.588 376 HZ3 LYS 46 HZ3 LYS 46 0.002 12.449 -7.660 377 H GLU 47 H GLU 47 3.247 7.688 -3.240 378 HA GLU 47 HA GLU 47 1.506 6.022 -4.743 379 HB2 GLU 47 HB2 GLU 47 4.335 5.602 -3.716 380 HB3 GLU 47 HB3 GLU 47 3.519 4.433 -4.743 381 HG2 GLU 47 HG2 GLU 47 3.284 6.124 -6.505 382 HG3 GLU 47 HG3 GLU 47 4.069 7.317 -5.473 383 H ILE 48 H ILE 48 2.960 5.571 -1.520 384 HA ILE 48 HA ILE 48 1.812 2.929 -1.191 385 HB ILE 48 HB ILE 48 2.609 3.114 1.145 386 HG12 ILE 48 HG12 ILE 48 3.428 5.946 0.474 387 HG13 ILE 48 HG13 ILE 48 1.978 5.537 1.377 388 HG21 ILE 48 HG21 ILE 48 5.002 3.437 0.663 389 HG22 ILE 48 HG22 ILE 48 4.213 2.492 -0.621 390 HG23 ILE 48 HG23 ILE 48 4.590 4.210 -0.885 391 HD11 ILE 48 HD11 ILE 48 3.797 6.150 2.868 392 HD12 ILE 48 HD12 ILE 48 3.345 4.444 3.102 393 HD13 ILE 48 HD13 ILE 48 4.814 4.860 2.187 394 H SER 49 H SER 49 0.773 6.198 -0.545 395 HA SER 49 HA SER 49 -1.404 5.489 1.218 396 HB2 SER 49 HB2 SER 49 -0.916 7.907 -0.550 397 HB3 SER 49 HB3 SER 49 -2.263 7.767 0.569 398 HG SER 49 HG SER 49 0.472 7.925 1.067 399 H GLU 50 H GLU 50 -1.120 6.021 -2.300 400 HA GLU 50 HA GLU 50 -3.808 5.381 -2.967 401 HB2 GLU 50 HB2 GLU 50 -2.211 6.311 -4.595 402 HB3 GLU 50 HB3 GLU 50 -1.234 4.852 -4.507 403 HG2 GLU 50 HG2 GLU 50 -3.098 3.545 -5.444 404 HG3 GLU 50 HG3 GLU 50 -4.077 5.007 -5.532 405 H ALA 51 H ALA 51 -0.930 3.276 -2.688 406 HA ALA 51 HA ALA 51 -2.222 0.836 -3.264 407 HB1 ALA 51 HB1 ALA 51 -0.369 -0.225 -2.014 408 HB2 ALA 51 HB2 ALA 51 0.217 1.055 -3.102 409 HB3 ALA 51 HB3 ALA 51 0.085 1.363 -1.355 410 H PHE 52 H PHE 52 -1.805 2.505 -0.141 411 HA PHE 52 HA PHE 52 -3.033 0.513 1.467 412 HB2 PHE 52 HB3 PHE 52 -1.767 2.332 2.469 413 HB3 PHE 52 HB2 PHE 52 -2.866 3.532 1.808 414 HD1 PHE 52 HD1 PHE 52 -2.919 0.505 4.007 415 HD2 PHE 52 HD2 PHE 52 -4.533 4.368 3.157 416 HE1 PHE 52 HE1 PHE 52 -4.286 0.385 6.064 417 HE2 PHE 52 HE2 PHE 52 -5.899 4.253 5.215 418 HZ PHE 52 HZ PHE 52 -5.777 2.258 6.667 419 H GLU 53 H GLU 53 -4.448 3.476 0.030 420 HA GLU 53 HA GLU 53 -7.052 3.172 1.007 421 HB2 GLU 53 HB2 GLU 53 -6.424 5.200 -0.130 422 HB3 GLU 53 HB3 GLU 53 -6.040 4.335 -1.611 423 HG2 GLU 53 HG2 GLU 53 -8.109 5.476 -1.915 424 HG3 GLU 53 HG3 GLU 53 -8.437 3.746 -1.858 425 H ILE 54 H ILE 54 -5.671 1.861 -2.015 426 HA ILE 54 HA ILE 54 -8.118 0.626 -2.865 427 HB ILE 54 HB ILE 54 -5.212 0.146 -3.625 428 HG12 ILE 54 HG12 ILE 54 -7.461 1.411 -5.201 429 HG13 ILE 54 HG13 ILE 54 -6.334 2.326 -4.212 430 HG21 ILE 54 HG21 ILE 54 -6.078 -1.188 -5.505 431 HG22 ILE 54 HG22 ILE 54 -6.493 -1.936 -3.944 432 HG23 ILE 54 HG23 ILE 54 -7.728 -1.038 -4.855 433 HD11 ILE 54 HD11 ILE 54 -5.664 2.342 -6.549 434 HD12 ILE 54 HD12 ILE 54 -4.455 1.491 -5.557 435 HD13 ILE 54 HD13 ILE 54 -5.596 0.565 -6.561 436 H LEU 55 H LEU 55 -5.313 -0.534 -1.019 437 HA LEU 55 HA LEU 55 -6.389 -3.272 -0.996 438 HB2 LEU 55 HB2 LEU 55 -3.915 -2.061 0.289 439 HB3 LEU 55 HB3 LEU 55 -4.328 -3.778 0.308 440 HG LEU 55 HG LEU 55 -3.707 -2.142 -2.177 441 HD11 LEU 55 HD11 LEU 55 -1.638 -3.461 -2.218 442 HD12 LEU 55 HD12 LEU 55 -1.759 -2.471 -0.744 443 HD13 LEU 55 HD13 LEU 55 -2.090 -4.219 -0.673 444 HD21 LEU 55 HD21 LEU 55 -3.726 -4.347 -3.295 445 HD22 LEU 55 HD22 LEU 55 -4.207 -5.118 -1.765 446 HD23 LEU 55 HD23 LEU 55 -5.312 -3.982 -2.575 447 H ASN 56 H ASN 56 -6.815 -0.463 0.808 448 HA ASN 56 HA ASN 56 -7.343 -1.820 3.354 449 HB2 ASN 56 HB2 ASN 56 -6.557 0.537 3.255 450 HB3 ASN 56 HB3 ASN 56 -8.051 0.989 2.443 451 HD21 ASN 56 HD21 ASN 56 -9.675 1.565 5.424 452 HD22 ASN 56 HD22 ASN 56 -9.411 1.954 3.757 453 H ASP 57 H ASP 57 -9.401 -0.040 1.018 454 HA ASP 57 HA ASP 57 -11.856 -1.100 2.025 455 HB2 ASP 57 HB2 ASP 57 -11.678 0.914 0.558 456 HB3 ASP 57 HB3 ASP 57 -11.215 -0.120 -0.787 457 HA PRO 58 HA PRO 58 -11.234 -5.296 0.884 458 HB2 PRO 58 HB2 PRO 58 -14.264 -5.207 1.249 459 HB3 PRO 58 HB3 PRO 58 -13.117 -6.431 1.812 460 HG2 PRO 58 HG2 PRO 58 -13.987 -4.636 3.566 461 HG3 PRO 58 HG3 PRO 58 -12.267 -5.040 3.550 462 HD2 PRO 58 HD2 PRO 58 -13.681 -2.614 2.389 463 HD3 PRO 58 HD3 PRO 58 -12.090 -2.709 3.245 464 H GLN 59 H GLN 59 -13.806 -3.225 -0.455 465 HA GLN 59 HA GLN 59 -14.402 -4.912 -2.710 466 HB2 GLN 59 HB2 GLN 59 -15.960 -3.178 -1.832 467 HB3 GLN 59 HB3 GLN 59 -14.848 -1.921 -2.353 468 HG2 GLN 59 HG2 GLN 59 -16.631 -2.117 -3.942 469 HG3 GLN 59 HG3 GLN 59 -15.118 -2.691 -4.696 470 HE21 GLN 59 HE21 GLN 59 -16.658 -5.607 -5.745 471 HE22 GLN 59 HE22 GLN 59 -15.610 -4.267 -6.076 472 H LYS 60 H LYS 60 -12.372 -2.001 -2.316 473 HA LYS 60 HA LYS 60 -11.516 -1.956 -5.062 474 HB2 LYS 60 HB2 LYS 60 -10.323 -0.744 -2.540 475 HB3 LYS 60 HB3 LYS 60 -9.682 -0.457 -4.152 476 HG2 LYS 60 HG2 LYS 60 -11.827 0.546 -4.837 477 HG3 LYS 60 HG3 LYS 60 -12.478 0.253 -3.217 478 HD2 LYS 60 HD2 LYS 60 -10.658 1.672 -2.263 479 HD3 LYS 60 HD3 LYS 60 -10.094 2.013 -3.905 480 HE2 LYS 60 HE2 LYS 60 -12.313 2.995 -4.445 481 HE3 LYS 60 HE3 LYS 60 -12.840 2.691 -2.788 482 HZ1 LYS 60 HZ1 LYS 60 -12.087 4.936 -3.076 483 HZ2 LYS 60 HZ2 LYS 60 -11.090 4.145 -2.026 484 HZ3 LYS 60 HZ3 LYS 60 -10.598 4.431 -3.574 485 H ARG 61 H ARG 61 -10.220 -3.435 -2.117 486 HA ARG 61 HA ARG 61 -7.716 -4.253 -3.177 487 HB2 ARG 61 HB2 ARG 61 -8.251 -4.345 -0.781 488 HB3 ARG 61 HB3 ARG 61 -9.457 -5.587 -1.074 489 HG2 ARG 61 HG2 ARG 61 -7.622 -7.074 -1.924 490 HG3 ARG 61 HG3 ARG 61 -6.461 -5.832 -1.396 491 HD2 ARG 61 HD2 ARG 61 -6.791 -7.646 0.230 492 HD3 ARG 61 HD3 ARG 61 -7.199 -6.036 0.866 493 HE ARG 61 HE ARG 61 -9.324 -6.768 1.213 494 HH11 ARG 61 HH11 ARG 61 -7.849 -8.815 -1.230 495 HH12 ARG 61 HH12 ARG 61 -9.218 -9.899 -1.328 496 HH21 ARG 61 HH21 ARG 61 -11.096 -8.183 1.077 497 HH22 ARG 61 HH22 ARG 61 -11.056 -9.542 -0.022 498 H GLU 62 H GLU 62 -10.855 -5.960 -3.044 499 HA GLU 62 HA GLU 62 -9.953 -8.353 -4.291 500 HB2 GLU 62 HB2 GLU 62 -12.677 -7.037 -4.076 501 HB3 GLU 62 HB3 GLU 62 -12.453 -8.561 -4.924 502 HG2 GLU 62 HG2 GLU 62 -11.688 -8.098 -2.035 503 HG3 GLU 62 HG3 GLU 62 -13.228 -8.768 -2.565 504 H ILE 63 H ILE 63 -11.290 -5.349 -5.639 505 HA ILE 63 HA ILE 63 -11.397 -6.196 -8.351 506 HB ILE 63 HB ILE 63 -11.004 -3.450 -7.104 507 HG12 ILE 63 HG12 ILE 63 -13.409 -4.620 -8.510 508 HG13 ILE 63 HG13 ILE 63 -13.165 -4.719 -6.773 509 HG21 ILE 63 HG21 ILE 63 -11.505 -2.528 -9.331 510 HG22 ILE 63 HG22 ILE 63 -9.997 -3.472 -9.354 511 HG23 ILE 63 HG23 ILE 63 -11.492 -4.169 -10.018 512 HD11 ILE 63 HD11 ILE 63 -14.628 -2.865 -7.348 513 HD12 ILE 63 HD12 ILE 63 -13.115 -2.267 -6.628 514 HD13 ILE 63 HD13 ILE 63 -13.364 -2.167 -8.388 515 H TYR 64 H TYR 64 -8.791 -4.610 -6.497 516 HA TYR 64 HA TYR 64 -6.898 -4.548 -8.632 517 HB2 TYR 64 HB2 TYR 64 -6.569 -3.234 -6.599 518 HB3 TYR 64 HB3 TYR 64 -6.503 -4.692 -5.618 519 HD1 TYR 64 HD1 TYR 64 -4.776 -2.998 -8.467 520 HD2 TYR 64 HD2 TYR 64 -4.465 -5.698 -5.147 521 HE1 TYR 64 HE1 TYR 64 -2.326 -3.096 -8.776 522 HE2 TYR 64 HE2 TYR 64 -2.015 -5.797 -5.456 523 HH TYR 64 HH TYR 64 -0.429 -4.094 -8.134 524 H ASP 65 H ASP 65 -7.458 -6.963 -6.062 525 HA ASP 65 HA ASP 65 -5.265 -8.630 -6.774 526 HB2 ASP 65 HB2 ASP 65 -7.885 -9.281 -5.368 527 HB3 ASP 65 HB3 ASP 65 -6.544 -10.410 -5.508 528 H GLN 66 H GLN 66 -8.572 -8.435 -7.976 529 HA GLN 66 HA GLN 66 -8.295 -10.989 -9.418 530 HB2 GLN 66 HB2 GLN 66 -10.576 -8.987 -9.194 531 HB3 GLN 66 HB3 GLN 66 -10.654 -10.443 -10.176 532 HG2 GLN 66 HG2 GLN 66 -10.368 -11.838 -8.202 533 HG3 GLN 66 HG3 GLN 66 -10.203 -10.378 -7.184 534 HE21 GLN 66 HE21 GLN 66 -13.604 -10.672 -6.478 535 HE22 GLN 66 HE22 GLN 66 -11.974 -10.706 -5.891 536 H TYR 67 H TYR 67 -8.356 -7.515 -10.094 537 HA TYR 67 HA TYR 67 -8.333 -8.165 -13.012 538 HB2 TYR 67 HB2 TYR 67 -9.503 -5.722 -11.619 539 HB3 TYR 67 HB3 TYR 67 -9.482 -5.996 -13.356 540 HD1 TYR 67 HD1 TYR 67 -10.515 -8.372 -14.077 541 HD2 TYR 67 HD2 TYR 67 -11.436 -6.217 -10.484 542 HE1 TYR 67 HE1 TYR 67 -12.676 -9.562 -13.917 543 HE2 TYR 67 HE2 TYR 67 -13.596 -7.407 -10.323 544 HH TYR 67 HH TYR 67 -14.902 -8.975 -11.195 545 H GLY 68 H GLY 68 -7.285 -5.743 -10.599 546 HA2 GLY 68 HA2 GLY 68 -4.723 -5.545 -10.671 547 HA3 GLY 68 HA3 GLY 68 -4.937 -5.176 -12.371 548 H LEU 69 H LEU 69 -3.688 -3.219 -11.479 549 HA LEU 69 HA LEU 69 -4.952 -1.442 -9.626 550 HB2 LEU 69 HB2 LEU 69 -2.537 -1.427 -10.009 551 HB3 LEU 69 HB3 LEU 69 -2.777 -0.954 -11.694 552 HG LEU 69 HG LEU 69 -3.698 1.220 -10.946 553 HD11 LEU 69 HD11 LEU 69 -3.525 1.849 -8.580 554 HD12 LEU 69 HD12 LEU 69 -4.638 0.480 -8.817 555 HD13 LEU 69 HD13 LEU 69 -3.001 0.197 -8.179 556 HD21 LEU 69 HD21 LEU 69 -1.557 2.131 -10.112 557 HD22 LEU 69 HD22 LEU 69 -1.003 0.481 -9.732 558 HD23 LEU 69 HD23 LEU 69 -1.287 0.958 -11.424 559 H GLU 70 H GLU 70 -4.655 -1.346 -13.189 560 HA GLU 70 HA GLU 70 -5.961 1.067 -13.685 561 HB2 GLU 70 HB2 GLU 70 -4.895 -0.329 -15.434 562 HB3 GLU 70 HB3 GLU 70 -6.181 -1.519 -15.281 563 HG2 GLU 70 HG2 GLU 70 -7.821 0.125 -16.058 564 HG3 GLU 70 HG3 GLU 70 -6.558 1.350 -16.166 565 H ALA 71 H ALA 71 -7.441 -2.159 -13.267 566 HA ALA 71 HA ALA 71 -10.135 -1.226 -13.540 567 HB1 ALA 71 HB1 ALA 71 -10.752 -3.389 -12.509 568 HB2 ALA 71 HB2 ALA 71 -9.534 -3.592 -13.789 569 HB3 ALA 71 HB3 ALA 71 -9.048 -3.660 -12.079 570 H ALA 72 H ALA 72 -7.988 -1.624 -10.747 571 HA ALA 72 HA ALA 72 -9.961 -1.129 -8.753 572 HB1 ALA 72 HB1 ALA 72 -8.040 -0.631 -7.276 573 HB2 ALA 72 HB2 ALA 72 -7.772 -2.108 -8.234 574 HB3 ALA 72 HB3 ALA 72 -6.971 -0.588 -8.697 575 H ARG 73 H ARG 73 -7.906 1.037 -10.650 576 HA ARG 73 HA ARG 73 -8.615 3.421 -9.198 577 HB2 ARG 73 HB2 ARG 73 -7.488 2.945 -11.969 578 HB3 ARG 73 HB3 ARG 73 -7.814 4.557 -11.348 579 HG2 ARG 73 HG2 ARG 73 -6.237 4.181 -9.504 580 HG3 ARG 73 HG3 ARG 73 -5.912 2.543 -10.122 581 HD2 ARG 73 HD2 ARG 73 -4.983 3.405 -12.123 582 HD3 ARG 73 HD3 ARG 73 -5.504 5.057 -11.717 583 HE ARG 73 HE ARG 73 -3.880 4.181 -9.620 584 HH11 ARG 73 HH11 ARG 73 -3.583 4.815 -13.063 585 HH12 ARG 73 HH12 ARG 73 -1.893 5.252 -12.964 586 HH21 ARG 73 HH21 ARG 73 -1.684 4.752 -9.506 587 HH22 ARG 73 HH22 ARG 73 -0.817 5.218 -10.951 588 H SER 74 H SER 74 -9.970 1.728 -11.995 589 HA SER 74 HA SER 74 -11.964 3.807 -12.488 590 HB2 SER 74 HB2 SER 74 -12.807 2.333 -14.180 591 HB3 SER 74 HB3 SER 74 -11.053 2.292 -14.263 592 HG SER 74 HG SER 74 -11.546 0.467 -12.605 593 H GLY 75 H GLY 75 -11.669 0.971 -10.500 594 HA2 GLY 75 HA2 GLY 75 -13.072 0.286 -8.757 595 HA3 GLY 75 HA3 GLY 75 -14.186 1.580 -9.162 596 H GLY 76 H GLY 76 -12.998 -0.818 -11.479 597 HA2 GLY 76 HA2 GLY 76 -15.622 -2.214 -11.459 598 HA3 GLY 76 HA3 GLY 76 -15.157 -1.381 -12.929 599 HA PRO 77 HA PRO 77 -13.351 -5.541 -13.209 600 HB2 PRO 77 HB2 PRO 77 -14.184 -6.187 -15.712 601 HB3 PRO 77 HB3 PRO 77 -15.294 -6.257 -14.338 602 HG2 PRO 77 HG2 PRO 77 -14.945 -4.041 -16.403 603 HG3 PRO 77 HG3 PRO 77 -16.445 -4.794 -15.852 604 HD2 PRO 77 HD2 PRO 77 -15.526 -2.425 -14.807 605 HD3 PRO 77 HD3 PRO 77 -16.472 -3.613 -13.825 606 H SER 78 H SER 78 -11.949 -6.461 -15.154 607 HA SER 78 HA SER 78 -9.886 -4.503 -15.705 608 HB2 SER 78 HB2 SER 78 -8.713 -6.317 -16.761 609 HB3 SER 78 HB3 SER 78 -9.461 -6.929 -15.294 610 HG SER 78 HG SER 78 -10.480 -7.132 -17.910 611 H PHE 79 H PHE 79 -8.951 -4.345 -17.974 612 HA PHE 79 HA PHE 79 -11.188 -3.937 -19.911 613 HB2 PHE 79 HB3 PHE 79 -8.873 -2.024 -19.409 614 HB3 PHE 79 HB2 PHE 79 -10.141 -1.819 -20.607 615 HD1 PHE 79 HD1 PHE 79 -9.223 -1.475 -17.119 616 HD2 PHE 79 HD2 PHE 79 -12.477 -1.377 -19.886 617 HE1 PHE 79 HE1 PHE 79 -10.602 -0.279 -15.452 618 HE2 PHE 79 HE2 PHE 79 -13.858 -0.179 -18.222 619 HZ PHE 79 HZ PHE 79 -12.921 0.369 -16.004 620 H GLY 80 H GLY 80 -10.663 -4.050 -22.110 621 HA2 GLY 80 HA2 GLY 80 -8.277 -5.734 -22.651 622 HA3 GLY 80 HA3 GLY 80 -9.660 -5.524 -23.709 623 HA PRO 81 HA PRO 81 -6.123 -3.064 -25.395 624 HB2 PRO 81 HB2 PRO 81 -7.682 -3.863 -27.878 625 HB3 PRO 81 HB3 PRO 81 -5.930 -3.799 -27.636 626 HG2 PRO 81 HG2 PRO 81 -7.125 -6.176 -27.581 627 HG3 PRO 81 HG3 PRO 81 -5.888 -5.817 -26.374 628 HD2 PRO 81 HD2 PRO 81 -8.920 -5.731 -26.095 629 HD3 PRO 81 HD3 PRO 81 -7.689 -6.395 -24.948 Start of MODEL 5 1 HA SER 1 HA SER 1 -2.343 -15.548 -3.824 2 HB2 SER 1 HB2 SER 1 -0.766 -13.741 -3.430 3 HB3 SER 1 HB3 SER 1 0.103 -15.243 -3.702 4 HG SER 1 HG SER 1 0.878 -14.509 -5.470 5 H VAL 2 H VAL 2 -1.042 -13.056 -5.913 6 HA VAL 2 HA VAL 2 -3.836 -12.258 -6.605 7 HB VAL 2 HB VAL 2 -3.164 -9.893 -6.278 8 HG11 VAL 2 HG11 VAL 2 -3.097 -9.906 -3.831 9 HG12 VAL 2 HG12 VAL 2 -4.282 -11.069 -4.472 10 HG13 VAL 2 HG13 VAL 2 -2.715 -11.644 -3.852 11 HG21 VAL 2 HG21 VAL 2 -1.037 -9.392 -5.114 12 HG22 VAL 2 HG22 VAL 2 -0.596 -11.115 -5.182 13 HG23 VAL 2 HG23 VAL 2 -0.743 -10.174 -6.687 14 H LYS 3 H LYS 3 -3.995 -10.787 -8.449 15 HA LYS 3 HA LYS 3 -2.441 -11.733 -10.671 16 HB2 LYS 3 HB2 LYS 3 -4.777 -10.932 -10.889 17 HB3 LYS 3 HB3 LYS 3 -4.267 -9.306 -10.457 18 HG2 LYS 3 HG2 LYS 3 -2.919 -9.141 -12.483 19 HG3 LYS 3 HG3 LYS 3 -3.302 -10.817 -12.902 20 HD2 LYS 3 HD2 LYS 3 -5.685 -10.253 -13.091 21 HD3 LYS 3 HD3 LYS 3 -5.350 -8.588 -12.593 22 HE2 LYS 3 HE2 LYS 3 -3.917 -8.284 -14.590 23 HE3 LYS 3 HE3 LYS 3 -4.260 -9.943 -15.090 24 HZ1 LYS 3 HZ1 LYS 3 -5.660 -8.375 -16.216 25 HZ2 LYS 3 HZ2 LYS 3 -6.580 -9.351 -15.254 26 HZ3 LYS 3 HZ3 LYS 3 -6.260 -7.802 -14.790 27 H GLU 4 H GLU 4 -2.493 -8.604 -8.944 28 HA GLU 4 HA GLU 4 0.226 -8.102 -10.082 29 HB2 GLU 4 HB2 GLU 4 -1.974 -6.093 -9.451 30 HB3 GLU 4 HB3 GLU 4 -0.326 -5.655 -9.880 31 HG2 GLU 4 HG2 GLU 4 -0.602 -6.749 -12.068 32 HG3 GLU 4 HG3 GLU 4 -2.252 -7.191 -11.638 33 H THR 5 H THR 5 1.787 -7.236 -8.759 34 HA THR 5 HA THR 5 1.111 -7.320 -5.849 35 HB THR 5 HB THR 5 3.452 -7.976 -5.439 36 HG1 THR 5 HG1 THR 5 4.713 -7.292 -7.029 37 HG21 THR 5 HG21 THR 5 3.375 -10.229 -6.434 38 HG22 THR 5 HG22 THR 5 1.775 -9.750 -5.822 39 HG23 THR 5 HG23 THR 5 2.114 -9.691 -7.567 40 H LYS 6 H LYS 6 1.501 -5.163 -8.201 41 HA LYS 6 HA LYS 6 3.718 -3.570 -7.585 42 HB2 LYS 6 HB2 LYS 6 2.286 -3.235 -9.573 43 HB3 LYS 6 HB3 LYS 6 0.975 -2.667 -8.548 44 HG2 LYS 6 HG2 LYS 6 2.303 -0.725 -7.870 45 HG3 LYS 6 HG3 LYS 6 3.670 -1.308 -8.829 46 HD2 LYS 6 HD2 LYS 6 2.327 -1.135 -10.886 47 HD3 LYS 6 HD3 LYS 6 0.930 -0.598 -9.941 48 HE2 LYS 6 HE2 LYS 6 2.166 1.400 -9.211 49 HE3 LYS 6 HE3 LYS 6 3.595 0.859 -10.097 50 HZ1 LYS 6 HZ1 LYS 6 2.346 2.471 -11.336 51 HZ2 LYS 6 HZ2 LYS 6 2.326 1.023 -12.127 52 HZ3 LYS 6 HZ3 LYS 6 0.992 1.530 -11.300 53 H LEU 7 H LEU 7 0.418 -3.345 -6.235 54 HA LEU 7 HA LEU 7 1.102 -1.038 -4.621 55 HB2 LEU 7 HB2 LEU 7 -1.280 -2.920 -4.499 56 HB3 LEU 7 HB3 LEU 7 -1.146 -1.392 -3.622 57 HG LEU 7 HG LEU 7 -1.307 -1.744 -6.635 58 HD11 LEU 7 HD11 LEU 7 -3.443 -0.569 -6.361 59 HD12 LEU 7 HD12 LEU 7 -3.413 -2.096 -5.451 60 HD13 LEU 7 HD13 LEU 7 -3.207 -0.547 -4.598 61 HD21 LEU 7 HD21 LEU 7 -1.319 0.726 -6.690 62 HD22 LEU 7 HD22 LEU 7 -1.050 0.767 -4.931 63 HD23 LEU 7 HD23 LEU 7 0.204 0.109 -6.007 64 H TYR 8 H TYR 8 0.941 -4.524 -4.106 65 HA TYR 8 HA TYR 8 1.337 -4.419 -1.255 66 HB2 TYR 8 HB2 TYR 8 1.938 -6.588 -3.304 67 HB3 TYR 8 HB3 TYR 8 2.106 -6.808 -1.568 68 HD1 TYR 8 HD1 TYR 8 -0.050 -7.170 -4.319 69 HD2 TYR 8 HD2 TYR 8 -0.036 -6.181 -0.144 70 HE1 TYR 8 HE1 TYR 8 -2.436 -7.789 -4.165 71 HE2 TYR 8 HE2 TYR 8 -2.425 -6.800 0.009 72 HH TYR 8 HH TYR 8 -4.244 -7.839 -2.859 73 H ASP 9 H ASP 9 3.496 -4.345 -4.035 74 HA ASP 9 HA ASP 9 5.907 -4.718 -2.470 75 HB2 ASP 9 HB2 ASP 9 5.426 -3.653 -5.278 76 HB3 ASP 9 HB3 ASP 9 7.028 -3.849 -4.580 77 H LEU 10 H LEU 10 4.041 -1.939 -3.614 78 HA LEU 10 HA LEU 10 5.879 0.093 -2.839 79 HB2 LEU 10 HB2 LEU 10 2.855 0.035 -3.035 80 HB3 LEU 10 HB3 LEU 10 3.754 1.496 -2.615 81 HG LEU 10 HG LEU 10 4.094 -0.048 -5.209 82 HD11 LEU 10 HD11 LEU 10 2.836 1.802 -6.218 83 HD12 LEU 10 HD12 LEU 10 1.857 0.914 -5.027 84 HD13 LEU 10 HD13 LEU 10 2.559 2.493 -4.603 85 HD21 LEU 10 HD21 LEU 10 5.319 1.985 -5.900 86 HD22 LEU 10 HD22 LEU 10 5.076 2.681 -4.280 87 HD23 LEU 10 HD23 LEU 10 6.083 1.228 -4.482 88 H LEU 11 H LEU 11 3.328 -1.610 -1.036 89 HA LEU 11 HA LEU 11 3.827 -0.066 1.388 90 HB2 LEU 11 HB2 LEU 11 2.224 -2.599 0.893 91 HB3 LEU 11 HB3 LEU 11 2.264 -1.718 2.423 92 HG LEU 11 HG LEU 11 1.147 -0.711 -0.217 93 HD11 LEU 11 HD11 LEU 11 -0.985 -0.769 0.999 94 HD12 LEU 11 HD12 LEU 11 -0.238 -2.381 0.904 95 HD13 LEU 11 HD13 LEU 11 -0.157 -1.450 2.419 96 HD21 LEU 11 HD21 LEU 11 0.473 1.272 1.096 97 HD22 LEU 11 HD22 LEU 11 1.322 0.620 2.518 98 HD23 LEU 11 HD23 LEU 11 2.243 1.094 1.070 99 H GLY 12 H GLY 12 4.941 -3.064 -0.028 100 HA2 GLY 12 HA2 GLY 12 6.802 -4.342 0.613 101 HA3 GLY 12 HA3 GLY 12 7.007 -3.324 2.026 102 H VAL 13 H VAL 13 4.168 -5.207 0.926 103 HA VAL 13 HA VAL 13 4.355 -6.854 3.391 104 HB VAL 13 HB VAL 13 2.946 -4.888 3.950 105 HG11 VAL 13 HG11 VAL 13 0.805 -4.540 2.818 106 HG12 VAL 13 HG12 VAL 13 2.185 -4.324 1.715 107 HG13 VAL 13 HG13 VAL 13 1.215 -5.817 1.649 108 HG21 VAL 13 HG21 VAL 13 0.954 -6.151 4.699 109 HG22 VAL 13 HG22 VAL 13 1.377 -7.475 3.589 110 HG23 VAL 13 HG23 VAL 13 2.445 -7.086 4.959 111 H SER 14 H SER 14 3.420 -8.860 3.260 112 HA SER 14 HA SER 14 3.324 -9.994 0.646 113 HB2 SER 14 HB2 SER 14 3.948 -11.326 2.570 114 HB3 SER 14 HB3 SER 14 2.390 -11.045 3.334 115 HG SER 14 HG SER 14 1.798 -12.732 2.353 116 HA PRO 15 HA PRO 15 -0.772 -9.183 -0.721 117 HB2 PRO 15 HB2 PRO 15 -0.422 -11.938 -1.952 118 HB3 PRO 15 HB3 PRO 15 -0.988 -10.445 -2.711 119 HG2 PRO 15 HG2 PRO 15 1.508 -11.230 -3.189 120 HG3 PRO 15 HG3 PRO 15 1.202 -9.522 -2.857 121 HD2 PRO 15 HD2 PRO 15 2.253 -11.680 -0.981 122 HD3 PRO 15 HD3 PRO 15 2.828 -9.977 -1.194 123 H SER 16 H SER 16 0.293 -12.121 0.895 124 HA SER 16 HA SER 16 -2.322 -13.298 1.230 125 HB2 SER 16 HB2 SER 16 -1.221 -14.847 2.716 126 HB3 SER 16 HB3 SER 16 -0.183 -14.569 1.326 127 HG SER 16 HG SER 16 0.136 -13.902 3.956 128 H ALA 17 H ALA 17 -0.712 -10.688 2.735 129 HA ALA 17 HA ALA 17 -1.835 -10.945 5.369 130 HB1 ALA 17 HB1 ALA 17 -1.173 -8.576 5.633 131 HB2 ALA 17 HB2 ALA 17 0.136 -9.552 4.926 132 HB3 ALA 17 HB3 ALA 17 -0.836 -8.485 3.888 133 H ASN 18 H ASN 18 -3.617 -10.058 6.309 134 HA ASN 18 HA ASN 18 -5.797 -9.333 4.474 135 HB2 ASN 18 HB2 ASN 18 -7.225 -9.448 6.419 136 HB3 ASN 18 HB3 ASN 18 -6.180 -10.861 6.394 137 HD21 ASN 18 HD21 ASN 18 -5.836 -10.070 9.813 138 HD22 ASN 18 HD22 ASN 18 -6.720 -11.013 8.661 139 H GLU 19 H GLU 19 -7.329 -7.544 5.522 140 HA GLU 19 HA GLU 19 -6.042 -5.179 4.643 141 HB2 GLU 19 HB2 GLU 19 -8.611 -5.579 6.225 142 HB3 GLU 19 HB3 GLU 19 -8.103 -4.023 5.583 143 HG2 GLU 19 HG2 GLU 19 -9.539 -4.741 3.952 144 HG3 GLU 19 HG3 GLU 19 -7.992 -5.275 3.299 145 H GLN 20 H GLN 20 -6.493 -6.512 7.870 146 HA GLN 20 HA GLN 20 -5.763 -4.113 9.289 147 HB2 GLN 20 HB2 GLN 20 -5.735 -7.047 10.091 148 HB3 GLN 20 HB3 GLN 20 -5.350 -5.738 11.200 149 HG2 GLN 20 HG2 GLN 20 -7.575 -4.809 10.957 150 HG3 GLN 20 HG3 GLN 20 -7.977 -6.045 9.731 151 HE21 GLN 20 HE21 GLN 20 -9.257 -6.963 13.173 152 HE22 GLN 20 HE22 GLN 20 -9.354 -5.512 12.231 153 H GLU 21 H GLU 21 -3.940 -6.991 8.239 154 HA GLU 21 HA GLU 21 -1.442 -6.017 9.350 155 HB2 GLU 21 HB2 GLU 21 -2.072 -8.212 7.340 156 HB3 GLU 21 HB3 GLU 21 -0.455 -7.876 7.937 157 HG2 GLU 21 HG2 GLU 21 -2.824 -8.706 9.629 158 HG3 GLU 21 HG3 GLU 21 -1.514 -9.756 9.094 159 H LEU 22 H LEU 22 -3.084 -5.794 6.243 160 HA LEU 22 HA LEU 22 -0.887 -4.704 4.765 161 HB2 LEU 22 HB2 LEU 22 -3.891 -4.387 4.462 162 HB3 LEU 22 HB3 LEU 22 -2.718 -3.752 3.304 163 HG LEU 22 HG LEU 22 -3.021 -6.694 4.003 164 HD11 LEU 22 HD11 LEU 22 -4.123 -6.875 1.816 165 HD12 LEU 22 HD12 LEU 22 -5.031 -5.821 2.925 166 HD13 LEU 22 HD13 LEU 22 -4.042 -5.107 1.629 167 HD21 LEU 22 HD21 LEU 22 -1.621 -6.997 1.989 168 HD22 LEU 22 HD22 LEU 22 -1.505 -5.231 1.803 169 HD23 LEU 22 HD23 LEU 22 -0.774 -6.027 3.217 170 H LYS 23 H LYS 23 -3.403 -3.235 6.801 171 HA LYS 23 HA LYS 23 -2.653 -0.520 6.411 172 HB2 LYS 23 HB2 LYS 23 -4.717 -1.216 7.587 173 HB3 LYS 23 HB3 LYS 23 -3.759 -1.877 8.903 174 HG2 LYS 23 HG2 LYS 23 -2.930 0.354 9.467 175 HG3 LYS 23 HG3 LYS 23 -3.811 1.046 8.098 176 HD2 LYS 23 HD2 LYS 23 -5.950 0.304 9.086 177 HD3 LYS 23 HD3 LYS 23 -5.076 -0.411 10.450 178 HE2 LYS 23 HE2 LYS 23 -4.194 1.821 11.056 179 HE3 LYS 23 HE3 LYS 23 -5.068 2.536 9.699 180 HZ1 LYS 23 HZ1 LYS 23 -6.267 2.778 11.745 181 HZ2 LYS 23 HZ2 LYS 23 -7.119 1.813 10.713 182 HZ3 LYS 23 HZ3 LYS 23 -6.303 1.146 11.982 183 H LYS 24 H LYS 24 -1.474 -2.957 8.734 184 HA LYS 24 HA LYS 24 0.388 -1.293 10.076 185 HB2 LYS 24 HB2 LYS 24 0.433 -4.277 9.488 186 HB3 LYS 24 HB3 LYS 24 1.613 -3.480 10.519 187 HG2 LYS 24 HG2 LYS 24 -0.162 -2.791 12.063 188 HG3 LYS 24 HG3 LYS 24 -1.380 -3.522 11.008 189 HD2 LYS 24 HD2 LYS 24 -0.249 -5.735 11.302 190 HD3 LYS 24 HD3 LYS 24 0.874 -4.976 12.440 191 HE2 LYS 24 HE2 LYS 24 -0.983 -4.380 13.924 192 HE3 LYS 24 HE3 LYS 24 -2.148 -5.036 12.771 193 HZ1 LYS 24 HZ1 LYS 24 -1.676 -6.581 14.525 194 HZ2 LYS 24 HZ2 LYS 24 -1.153 -7.198 13.087 195 HZ3 LYS 24 HZ3 LYS 24 -0.066 -6.584 14.165 196 H GLY 25 H GLY 25 0.714 -3.201 7.091 197 HA2 GLY 25 HA2 GLY 25 3.452 -2.683 6.565 198 HA3 GLY 25 HA3 GLY 25 2.230 -3.003 5.349 199 H TYR 26 H TYR 26 0.513 -0.842 5.672 200 HA TYR 26 HA TYR 26 1.836 1.256 4.282 201 HB2 TYR 26 HB2 TYR 26 -0.562 0.997 4.091 202 HB3 TYR 26 HB3 TYR 26 -0.782 1.192 5.824 203 HD1 TYR 26 HD1 TYR 26 0.800 3.067 2.982 204 HD2 TYR 26 HD2 TYR 26 -1.580 3.216 6.547 205 HE1 TYR 26 HE1 TYR 26 0.481 5.499 2.668 206 HE2 TYR 26 HE2 TYR 26 -1.900 5.647 6.235 207 HH TYR 26 HH TYR 26 -0.666 7.308 3.366 208 H ARG 27 H ARG 27 0.920 0.958 7.717 209 HA ARG 27 HA ARG 27 1.730 3.530 8.540 210 HB2 ARG 27 HB2 ARG 27 1.727 0.880 10.018 211 HB3 ARG 27 HB3 ARG 27 2.094 2.414 10.797 212 HG2 ARG 27 HG2 ARG 27 -0.127 3.254 10.300 213 HG3 ARG 27 HG3 ARG 27 -0.508 1.777 9.383 214 HD2 ARG 27 HD2 ARG 27 -1.477 1.609 11.542 215 HD3 ARG 27 HD3 ARG 27 -0.109 0.476 11.449 216 HE ARG 27 HE ARG 27 0.669 3.024 12.532 217 HH11 ARG 27 HH11 ARG 27 -0.894 -0.024 13.314 218 HH12 ARG 27 HH12 ARG 27 -0.496 0.065 15.016 219 HH21 ARG 27 HH21 ARG 27 1.178 3.129 14.742 220 HH22 ARG 27 HH22 ARG 27 0.676 1.849 15.825 221 H LYS 28 H LYS 28 3.611 0.509 8.299 222 HA LYS 28 HA LYS 28 6.074 1.571 9.254 223 HB2 LYS 28 HB2 LYS 28 5.662 -0.848 8.963 224 HB3 LYS 28 HB3 LYS 28 5.574 -0.639 7.221 225 HG2 LYS 28 HG2 LYS 28 7.930 0.054 7.163 226 HG3 LYS 28 HG3 LYS 28 8.026 -0.105 8.923 227 HD2 LYS 28 HD2 LYS 28 7.502 -2.505 8.751 228 HD3 LYS 28 HD3 LYS 28 7.355 -2.358 6.994 229 HE2 LYS 28 HE2 LYS 28 9.723 -1.655 6.856 230 HE3 LYS 28 HE3 LYS 28 9.873 -1.805 8.609 231 HZ1 LYS 28 HZ1 LYS 28 10.687 -3.744 7.484 232 HZ2 LYS 28 HZ2 LYS 28 9.368 -4.141 8.392 233 HZ3 LYS 28 HZ3 LYS 28 9.231 -4.000 6.754 234 H ALA 29 H ALA 29 4.852 1.227 5.908 235 HA ALA 29 HA ALA 29 7.129 2.467 4.708 236 HB1 ALA 29 HB1 ALA 29 5.691 2.668 2.705 237 HB2 ALA 29 HB2 ALA 29 5.577 1.051 3.438 238 HB3 ALA 29 HB3 ALA 29 4.274 2.235 3.689 239 H ALA 30 H ALA 30 4.108 3.745 6.002 240 HA ALA 30 HA ALA 30 4.343 6.369 4.910 241 HB1 ALA 30 HB1 ALA 30 2.762 7.023 6.697 242 HB2 ALA 30 HB2 ALA 30 2.254 5.524 5.882 243 HB3 ALA 30 HB3 ALA 30 3.017 5.451 7.488 244 H LEU 31 H LEU 31 5.504 4.959 7.966 245 HA LEU 31 HA LEU 31 6.765 7.358 8.909 246 HB2 LEU 31 HB2 LEU 31 7.296 4.420 9.452 247 HB3 LEU 31 HB3 LEU 31 8.147 5.729 10.278 248 HG LEU 31 HG LEU 31 5.140 5.301 10.376 249 HD11 LEU 31 HD11 LEU 31 5.555 4.469 12.647 250 HD12 LEU 31 HD12 LEU 31 6.343 3.450 11.420 251 HD13 LEU 31 HD13 LEU 31 7.309 4.600 12.375 252 HD21 LEU 31 HD21 LEU 31 5.279 6.928 12.230 253 HD22 LEU 31 HD22 LEU 31 7.030 7.096 11.953 254 HD23 LEU 31 HD23 LEU 31 5.877 7.637 10.710 255 H LYS 32 H LYS 32 7.864 4.661 6.877 256 HA LYS 32 HA LYS 32 10.604 5.356 6.744 257 HB2 LYS 32 HB2 LYS 32 9.676 3.223 5.893 258 HB3 LYS 32 HB3 LYS 32 8.853 4.085 4.601 259 HG2 LYS 32 HG2 LYS 32 11.005 4.763 3.643 260 HG3 LYS 32 HG3 LYS 32 11.861 3.971 4.973 261 HD2 LYS 32 HD2 LYS 32 10.898 1.795 4.302 262 HD3 LYS 32 HD3 LYS 32 10.034 2.585 2.976 263 HE2 LYS 32 HE2 LYS 32 12.185 3.287 1.984 264 HE3 LYS 32 HE3 LYS 32 13.056 2.516 3.314 265 HZ1 LYS 32 HZ1 LYS 32 12.968 1.115 1.385 266 HZ2 LYS 32 HZ2 LYS 32 12.132 0.412 2.621 267 HZ3 LYS 32 HZ3 LYS 32 11.319 1.132 1.379 268 H TYR 33 H TYR 33 7.849 6.465 4.783 269 HA TYR 33 HA TYR 33 9.700 8.379 3.434 270 HB2 TYR 33 HB2 TYR 33 6.944 7.415 2.568 271 HB3 TYR 33 HB3 TYR 33 7.965 8.535 1.677 272 HD1 TYR 33 HD1 TYR 33 6.966 5.203 1.942 273 HD2 TYR 33 HD2 TYR 33 10.443 7.612 1.226 274 HE1 TYR 33 HE1 TYR 33 8.045 3.303 0.789 275 HE2 TYR 33 HE2 TYR 33 11.522 5.711 0.071 276 HH TYR 33 HH TYR 33 11.276 3.633 -0.677 277 H HIS 34 H HIS 34 8.431 8.635 6.131 278 HA HIS 34 HA HIS 34 6.236 10.485 5.961 279 HB2 HIS 34 HB2 HIS 34 7.009 9.075 7.983 280 HB3 HIS 34 HB3 HIS 34 8.209 10.331 8.253 281 HD2 HIS 34 HD2 HIS 34 4.557 9.612 9.078 282 HE1 HIS 34 HE1 HIS 34 5.190 13.756 9.845 283 HE2 HIS 34 HE2 HIS 34 3.604 11.783 10.151 284 HA PRO 35 HA PRO 35 8.126 14.017 4.417 285 HB2 PRO 35 HB2 PRO 35 6.122 15.388 6.268 286 HB3 PRO 35 HB3 PRO 35 6.505 15.763 4.582 287 HG2 PRO 35 HG2 PRO 35 4.303 14.361 5.082 288 HG3 PRO 35 HG3 PRO 35 5.343 13.856 3.747 289 HD2 PRO 35 HD2 PRO 35 5.100 12.687 6.539 290 HD3 PRO 35 HD3 PRO 35 5.329 11.838 4.958 291 H ASP 36 H ASP 36 7.583 13.611 7.893 292 HA ASP 36 HA ASP 36 9.378 15.879 8.523 293 HB2 ASP 36 HB2 ASP 36 7.611 14.122 10.269 294 HB3 ASP 36 HB3 ASP 36 8.653 15.390 10.897 295 H LYS 37 H LYS 37 10.000 12.922 7.575 296 HA LYS 37 HA LYS 37 12.132 12.483 9.622 297 HB2 LYS 37 HB2 LYS 37 10.921 10.531 7.622 298 HB3 LYS 37 HB3 LYS 37 12.254 10.161 8.709 299 HG2 LYS 37 HG2 LYS 37 9.477 10.980 9.615 300 HG3 LYS 37 HG3 LYS 37 10.059 9.313 9.495 301 HD2 LYS 37 HD2 LYS 37 11.894 9.878 11.098 302 HD3 LYS 37 HD3 LYS 37 11.208 11.499 11.269 303 HE2 LYS 37 HE2 LYS 37 9.074 10.487 12.061 304 HE3 LYS 37 HE3 LYS 37 9.811 8.886 11.950 305 HZ1 LYS 37 HZ1 LYS 37 9.910 9.749 14.171 306 HZ2 LYS 37 HZ2 LYS 37 11.437 9.585 13.570 307 HZ3 LYS 37 HZ3 LYS 37 10.748 11.080 13.675 308 HA PRO 38 HA PRO 38 15.344 13.547 6.969 309 HB2 PRO 38 HB2 PRO 38 16.532 10.809 7.570 310 HB3 PRO 38 HB3 PRO 38 17.305 12.398 7.655 311 HG2 PRO 38 HG2 PRO 38 16.525 11.261 9.928 312 HG3 PRO 38 HG3 PRO 38 16.209 12.981 9.687 313 HD2 PRO 38 HD2 PRO 38 14.312 10.622 9.383 314 HD3 PRO 38 HD3 PRO 38 14.009 12.242 10.131 315 H THR 39 H THR 39 13.926 10.320 6.633 316 HA THR 39 HA THR 39 14.873 10.156 3.820 317 HB THR 39 HB THR 39 14.092 7.790 3.923 318 HG1 THR 39 HG1 THR 39 12.533 7.658 5.413 319 HG21 THR 39 HG21 THR 39 15.795 6.986 5.511 320 HG22 THR 39 HG22 THR 39 16.414 8.350 4.553 321 HG23 THR 39 HG23 THR 39 15.893 8.608 6.235 322 H GLY 40 H GLY 40 12.649 11.898 4.908 323 HA2 GLY 40 HA2 GLY 40 10.113 10.870 4.136 324 HA3 GLY 40 HA3 GLY 40 10.531 12.569 4.245 325 H ASP 41 H ASP 41 8.945 10.944 2.250 326 HA ASP 41 HA ASP 41 10.111 12.176 -0.152 327 HB2 ASP 41 HB2 ASP 41 11.202 9.938 -0.058 328 HB3 ASP 41 HB3 ASP 41 9.620 9.172 -0.015 329 H THR 42 H THR 42 8.399 13.390 -0.647 330 HA THR 42 HA THR 42 5.723 12.742 0.036 331 HB THR 42 HB THR 42 6.761 14.665 -2.089 332 HG1 THR 42 HG1 THR 42 6.380 16.179 -0.369 333 HG21 THR 42 HG21 THR 42 4.562 15.753 -1.866 334 HG22 THR 42 HG22 THR 42 4.387 14.079 -2.445 335 HG23 THR 42 HG23 THR 42 4.039 14.473 -0.746 336 H GLU 43 H GLU 43 7.529 12.299 -2.991 337 HA GLU 43 HA GLU 43 5.346 11.501 -4.611 338 HB2 GLU 43 HB2 GLU 43 7.587 12.051 -5.503 339 HB3 GLU 43 HB3 GLU 43 8.258 10.617 -4.739 340 HG2 GLU 43 HG2 GLU 43 6.881 9.180 -6.154 341 HG3 GLU 43 HG3 GLU 43 6.124 10.595 -6.882 342 H LYS 44 H LYS 44 7.635 9.493 -2.727 343 HA LYS 44 HA LYS 44 6.275 7.033 -3.387 344 HB2 LYS 44 HB2 LYS 44 8.328 7.755 -1.266 345 HB3 LYS 44 HB3 LYS 44 7.689 6.127 -1.459 346 HG2 LYS 44 HG2 LYS 44 9.216 7.695 -3.558 347 HG3 LYS 44 HG3 LYS 44 9.846 6.371 -2.568 348 HD2 LYS 44 HD2 LYS 44 8.146 4.846 -3.560 349 HD3 LYS 44 HD3 LYS 44 7.578 6.174 -4.584 350 HE2 LYS 44 HE2 LYS 44 9.888 6.353 -5.546 351 HE3 LYS 44 HE3 LYS 44 10.352 4.933 -4.604 352 HZ1 LYS 44 HZ1 LYS 44 9.740 4.350 -6.835 353 HZ2 LYS 44 HZ2 LYS 44 8.671 3.681 -5.772 354 HZ3 LYS 44 HZ3 LYS 44 8.238 5.007 -6.653 355 H PHE 45 H PHE 45 6.084 9.336 -0.718 356 HA PHE 45 HA PHE 45 4.440 7.795 1.014 357 HB2 PHE 45 HB3 PHE 45 5.581 10.006 1.535 358 HB3 PHE 45 HB2 PHE 45 4.312 10.807 0.621 359 HD1 PHE 45 HD1 PHE 45 2.133 11.123 1.529 360 HD2 PHE 45 HD2 PHE 45 5.031 8.790 3.628 361 HE1 PHE 45 HE1 PHE 45 0.706 11.172 3.546 362 HE2 PHE 45 HE2 PHE 45 3.606 8.835 5.648 363 HZ PHE 45 HZ PHE 45 1.443 10.028 5.606 364 H LYS 46 H LYS 46 3.625 9.949 -1.702 365 HA LYS 46 HA LYS 46 0.785 9.662 -1.464 366 HB2 LYS 46 HB2 LYS 46 1.877 11.432 -2.820 367 HB3 LYS 46 HB3 LYS 46 2.481 10.213 -3.934 368 HG2 LYS 46 HG2 LYS 46 0.198 9.632 -4.592 369 HG3 LYS 46 HG3 LYS 46 -0.452 10.782 -3.415 370 HD2 LYS 46 HD2 LYS 46 0.672 12.638 -4.596 371 HD3 LYS 46 HD3 LYS 46 1.341 11.491 -5.766 372 HE2 LYS 46 HE2 LYS 46 -0.949 10.856 -6.454 373 HE3 LYS 46 HE3 LYS 46 -1.618 11.999 -5.286 374 HZ1 LYS 46 HZ1 LYS 46 -1.536 12.928 -7.480 375 HZ2 LYS 46 HZ2 LYS 46 -0.529 13.770 -6.483 376 HZ3 LYS 46 HZ3 LYS 46 0.096 12.703 -7.573 377 H GLU 47 H GLU 47 3.247 7.827 -3.263 378 HA GLU 47 HA GLU 47 1.438 6.223 -4.756 379 HB2 GLU 47 HB2 GLU 47 4.289 5.749 -3.821 380 HB3 GLU 47 HB3 GLU 47 3.427 4.601 -4.836 381 HG2 GLU 47 HG2 GLU 47 3.152 6.325 -6.564 382 HG3 GLU 47 HG3 GLU 47 4.000 7.486 -5.546 383 H ILE 48 H ILE 48 2.957 5.696 -1.576 384 HA ILE 48 HA ILE 48 1.791 3.057 -1.274 385 HB ILE 48 HB ILE 48 2.648 3.184 1.043 386 HG12 ILE 48 HG12 ILE 48 3.438 6.035 0.409 387 HG13 ILE 48 HG13 ILE 48 2.042 5.588 1.377 388 HG21 ILE 48 HG21 ILE 48 5.031 3.503 0.512 389 HG22 ILE 48 HG22 ILE 48 4.205 2.593 -0.774 390 HG23 ILE 48 HG23 ILE 48 4.588 4.315 -1.008 391 HD11 ILE 48 HD11 ILE 48 3.933 6.182 2.786 392 HD12 ILE 48 HD12 ILE 48 3.509 4.467 2.997 393 HD13 ILE 48 HD13 ILE 48 4.923 4.920 2.018 394 H SER 49 H SER 49 0.798 6.323 -0.551 395 HA SER 49 HA SER 49 -1.336 5.603 1.261 396 HB2 SER 49 HB2 SER 49 -0.863 8.051 -0.468 397 HB3 SER 49 HB3 SER 49 -2.187 7.904 0.677 398 HG SER 49 HG SER 49 0.560 8.029 1.115 399 H GLU 50 H GLU 50 -1.133 6.195 -2.250 400 HA GLU 50 HA GLU 50 -3.878 5.625 -2.813 401 HB2 GLU 50 HB2 GLU 50 -2.308 6.680 -4.432 402 HB3 GLU 50 HB3 GLU 50 -1.420 5.168 -4.553 403 HG2 GLU 50 HG2 GLU 50 -3.337 4.059 -5.534 404 HG3 GLU 50 HG3 GLU 50 -4.336 5.489 -5.289 405 H ALA 51 H ALA 51 -0.978 3.539 -2.748 406 HA ALA 51 HA ALA 51 -2.262 1.102 -3.362 407 HB1 ALA 51 HB1 ALA 51 -0.380 0.027 -2.170 408 HB2 ALA 51 HB2 ALA 51 0.179 1.337 -3.238 409 HB3 ALA 51 HB3 ALA 51 0.074 1.604 -1.482 410 H PHE 52 H PHE 52 -1.834 2.727 -0.221 411 HA PHE 52 HA PHE 52 -3.017 0.711 1.383 412 HB2 PHE 52 HB3 PHE 52 -1.809 2.542 2.407 413 HB3 PHE 52 HB2 PHE 52 -2.901 3.730 1.714 414 HD1 PHE 52 HD1 PHE 52 -3.008 0.706 3.918 415 HD2 PHE 52 HD2 PHE 52 -4.571 4.584 3.043 416 HE1 PHE 52 HE1 PHE 52 -4.415 0.595 5.948 417 HE2 PHE 52 HE2 PHE 52 -5.977 4.478 5.075 418 HZ PHE 52 HZ PHE 52 -5.899 2.481 6.525 419 H GLU 53 H GLU 53 -4.508 3.630 -0.065 420 HA GLU 53 HA GLU 53 -7.102 3.294 0.893 421 HB2 GLU 53 HB2 GLU 53 -6.503 5.287 -0.332 422 HB3 GLU 53 HB3 GLU 53 -6.122 4.364 -1.778 423 HG2 GLU 53 HG2 GLU 53 -8.213 5.463 -2.105 424 HG3 GLU 53 HG3 GLU 53 -8.514 3.730 -1.972 425 H ILE 54 H ILE 54 -5.708 1.918 -2.099 426 HA ILE 54 HA ILE 54 -8.114 0.556 -2.865 427 HB ILE 54 HB ILE 54 -5.200 0.165 -3.638 428 HG12 ILE 54 HG12 ILE 54 -7.526 1.245 -5.240 429 HG13 ILE 54 HG13 ILE 54 -6.426 2.258 -4.318 430 HG21 ILE 54 HG21 ILE 54 -6.022 -1.299 -5.439 431 HG22 ILE 54 HG22 ILE 54 -6.382 -1.988 -3.838 432 HG23 ILE 54 HG23 ILE 54 -7.669 -1.195 -4.776 433 HD11 ILE 54 HD11 ILE 54 -5.793 2.187 -6.663 434 HD12 ILE 54 HD12 ILE 54 -4.532 1.441 -5.652 435 HD13 ILE 54 HD13 ILE 54 -5.646 0.415 -6.588 436 H LEU 55 H LEU 55 -5.251 -0.419 -1.001 437 HA LEU 55 HA LEU 55 -6.230 -3.193 -0.860 438 HB2 LEU 55 HB2 LEU 55 -3.766 -1.851 0.306 439 HB3 LEU 55 HB3 LEU 55 -4.122 -3.577 0.421 440 HG LEU 55 HG LEU 55 -3.605 -2.041 -2.151 441 HD11 LEU 55 HD11 LEU 55 -1.514 -3.327 -2.189 442 HD12 LEU 55 HD12 LEU 55 -1.616 -2.279 -0.754 443 HD13 LEU 55 HD13 LEU 55 -1.916 -4.028 -0.603 444 HD21 LEU 55 HD21 LEU 55 -3.611 -4.290 -3.177 445 HD22 LEU 55 HD22 LEU 55 -4.043 -5.006 -1.606 446 HD23 LEU 55 HD23 LEU 55 -5.185 -3.921 -2.433 447 H ASN 56 H ASN 56 -6.764 -0.347 0.822 448 HA ASN 56 HA ASN 56 -7.133 -1.587 3.451 449 HB2 ASN 56 HB2 ASN 56 -6.523 0.801 3.220 450 HB3 ASN 56 HB3 ASN 56 -8.043 1.109 2.390 451 HD21 ASN 56 HD21 ASN 56 -9.673 1.784 5.348 452 HD22 ASN 56 HD22 ASN 56 -9.421 2.104 3.666 453 H ASP 57 H ASP 57 -9.375 -0.101 1.079 454 HA ASP 57 HA ASP 57 -11.711 -1.305 2.219 455 HB2 ASP 57 HB2 ASP 57 -11.741 0.664 0.680 456 HB3 ASP 57 HB3 ASP 57 -11.242 -0.379 -0.645 457 HA PRO 58 HA PRO 58 -10.804 -5.484 1.174 458 HB2 PRO 58 HB2 PRO 58 -13.816 -5.602 1.649 459 HB3 PRO 58 HB3 PRO 58 -12.566 -6.723 2.201 460 HG2 PRO 58 HG2 PRO 58 -13.502 -4.945 3.938 461 HG3 PRO 58 HG3 PRO 58 -11.759 -5.224 3.871 462 HD2 PRO 58 HD2 PRO 58 -13.387 -2.943 2.695 463 HD3 PRO 58 HD3 PRO 58 -11.768 -2.896 3.500 464 H GLN 59 H GLN 59 -13.560 -3.634 -0.117 465 HA GLN 59 HA GLN 59 -14.113 -5.413 -2.310 466 HB2 GLN 59 HB2 GLN 59 -15.756 -3.766 -1.421 467 HB3 GLN 59 HB3 GLN 59 -14.749 -2.451 -2.007 468 HG2 GLN 59 HG2 GLN 59 -16.571 -2.810 -3.528 469 HG3 GLN 59 HG3 GLN 59 -15.043 -3.287 -4.323 470 HE21 GLN 59 HE21 GLN 59 -16.395 -6.329 -5.265 471 HE22 GLN 59 HE22 GLN 59 -15.464 -4.922 -5.655 472 H LYS 60 H LYS 60 -12.229 -2.400 -2.027 473 HA LYS 60 HA LYS 60 -11.502 -2.326 -4.811 474 HB2 LYS 60 HB2 LYS 60 -10.286 -1.030 -2.344 475 HB3 LYS 60 HB3 LYS 60 -9.698 -0.735 -3.975 476 HG2 LYS 60 HG2 LYS 60 -11.928 0.137 -4.612 477 HG3 LYS 60 HG3 LYS 60 -12.488 -0.128 -2.955 478 HD2 LYS 60 HD2 LYS 60 -10.710 1.404 -2.129 479 HD3 LYS 60 HD3 LYS 60 -10.206 1.697 -3.800 480 HE2 LYS 60 HE2 LYS 60 -12.496 2.556 -4.304 481 HE3 LYS 60 HE3 LYS 60 -12.929 2.335 -2.608 482 HZ1 LYS 60 HZ1 LYS 60 -12.274 4.582 -3.066 483 HZ2 LYS 60 HZ2 LYS 60 -11.199 3.891 -2.023 484 HZ3 LYS 60 HZ3 LYS 60 -10.795 4.098 -3.608 485 H ARG 61 H ARG 61 -10.001 -3.713 -1.918 486 HA ARG 61 HA ARG 61 -7.524 -4.456 -3.092 487 HB2 ARG 61 HB2 ARG 61 -7.936 -4.554 -0.676 488 HB3 ARG 61 HB3 ARG 61 -9.124 -5.828 -0.904 489 HG2 ARG 61 HG2 ARG 61 -7.309 -7.285 -1.823 490 HG3 ARG 61 HG3 ARG 61 -6.145 -6.009 -1.393 491 HD2 ARG 61 HD2 ARG 61 -6.317 -7.785 0.287 492 HD3 ARG 61 HD3 ARG 61 -6.752 -6.181 0.917 493 HE ARG 61 HE ARG 61 -8.802 -7.014 1.432 494 HH11 ARG 61 HH11 ARG 61 -7.472 -8.948 -1.181 495 HH12 ARG 61 HH12 ARG 61 -8.820 -10.062 -1.210 496 HH21 ARG 61 HH21 ARG 61 -10.546 -8.468 1.384 497 HH22 ARG 61 HH22 ARG 61 -10.560 -9.791 0.241 498 H GLU 62 H GLU 62 -10.607 -6.247 -2.827 499 HA GLU 62 HA GLU 62 -9.698 -8.611 -4.129 500 HB2 GLU 62 HB2 GLU 62 -12.444 -7.363 -3.791 501 HB3 GLU 62 HB3 GLU 62 -12.217 -8.878 -4.654 502 HG2 GLU 62 HG2 GLU 62 -11.345 -8.405 -1.795 503 HG3 GLU 62 HG3 GLU 62 -12.888 -9.114 -2.265 504 H ILE 63 H ILE 63 -11.188 -5.638 -5.395 505 HA ILE 63 HA ILE 63 -11.331 -6.464 -8.116 506 HB ILE 63 HB ILE 63 -11.032 -3.712 -6.850 507 HG12 ILE 63 HG12 ILE 63 -13.428 -4.985 -8.181 508 HG13 ILE 63 HG13 ILE 63 -13.117 -5.087 -6.454 509 HG21 ILE 63 HG21 ILE 63 -11.655 -2.802 -9.051 510 HG22 ILE 63 HG22 ILE 63 -10.106 -3.672 -9.134 511 HG23 ILE 63 HG23 ILE 63 -11.590 -4.435 -9.752 512 HD11 ILE 63 HD11 ILE 63 -14.686 -3.301 -6.960 513 HD12 ILE 63 HD12 ILE 63 -13.177 -2.637 -6.287 514 HD13 ILE 63 HD13 ILE 63 -13.495 -2.534 -8.036 515 H TYR 64 H TYR 64 -8.751 -4.828 -6.278 516 HA TYR 64 HA TYR 64 -6.898 -4.622 -8.433 517 HB2 TYR 64 HB2 TYR 64 -6.564 -3.411 -6.336 518 HB3 TYR 64 HB3 TYR 64 -6.440 -4.916 -5.439 519 HD1 TYR 64 HD1 TYR 64 -4.834 -3.148 -8.327 520 HD2 TYR 64 HD2 TYR 64 -4.350 -5.767 -4.962 521 HE1 TYR 64 HE1 TYR 64 -2.389 -3.162 -8.688 522 HE2 TYR 64 HE2 TYR 64 -1.905 -5.779 -5.324 523 HH TYR 64 HH TYR 64 -0.438 -4.032 -8.046 524 H ASP 65 H ASP 65 -7.374 -7.187 -5.995 525 HA ASP 65 HA ASP 65 -5.148 -8.758 -6.842 526 HB2 ASP 65 HB2 ASP 65 -7.704 -9.562 -5.397 527 HB3 ASP 65 HB3 ASP 65 -6.310 -10.615 -5.602 528 H GLN 66 H GLN 66 -8.467 -8.532 -7.973 529 HA GLN 66 HA GLN 66 -8.203 -11.050 -9.498 530 HB2 GLN 66 HB2 GLN 66 -10.528 -9.129 -9.090 531 HB3 GLN 66 HB3 GLN 66 -10.611 -10.551 -10.119 532 HG2 GLN 66 HG2 GLN 66 -10.209 -12.006 -8.222 533 HG3 GLN 66 HG3 GLN 66 -9.998 -10.589 -7.155 534 HE21 GLN 66 HE21 GLN 66 -13.346 -10.946 -6.257 535 HE22 GLN 66 HE22 GLN 66 -11.683 -10.978 -5.772 536 H TYR 67 H TYR 67 -8.464 -7.554 -10.037 537 HA TYR 67 HA TYR 67 -8.491 -8.096 -12.976 538 HB2 TYR 67 HB2 TYR 67 -9.674 -5.754 -11.428 539 HB3 TYR 67 HB3 TYR 67 -9.658 -5.898 -13.181 540 HD1 TYR 67 HD1 TYR 67 -10.824 -7.947 -14.224 541 HD2 TYR 67 HD2 TYR 67 -11.419 -6.657 -10.175 542 HE1 TYR 67 HE1 TYR 67 -12.961 -9.186 -14.142 543 HE2 TYR 67 HE2 TYR 67 -13.556 -7.897 -10.094 544 HH TYR 67 HH TYR 67 -14.941 -9.248 -11.178 545 H GLY 68 H GLY 68 -7.387 -5.762 -10.504 546 HA2 GLY 68 HA2 GLY 68 -4.820 -5.588 -10.656 547 HA3 GLY 68 HA3 GLY 68 -5.096 -5.111 -12.320 548 H LEU 69 H LEU 69 -3.773 -3.249 -11.267 549 HA LEU 69 HA LEU 69 -4.916 -1.552 -9.312 550 HB2 LEU 69 HB2 LEU 69 -2.525 -1.552 -10.062 551 HB3 LEU 69 HB3 LEU 69 -3.031 -0.768 -11.563 552 HG LEU 69 HG LEU 69 -3.650 0.520 -8.908 553 HD11 LEU 69 HD11 LEU 69 -1.502 1.701 -9.047 554 HD12 LEU 69 HD12 LEU 69 -1.277 -0.051 -8.831 555 HD13 LEU 69 HD13 LEU 69 -1.035 0.689 -10.433 556 HD21 LEU 69 HD21 LEU 69 -3.499 2.552 -10.309 557 HD22 LEU 69 HD22 LEU 69 -3.059 1.551 -11.714 558 HD23 LEU 69 HD23 LEU 69 -4.674 1.397 -10.981 559 H GLU 70 H GLU 70 -4.988 -1.320 -12.878 560 HA GLU 70 HA GLU 70 -6.241 1.196 -13.047 561 HB2 GLU 70 HB2 GLU 70 -6.391 -1.211 -14.903 562 HB3 GLU 70 HB3 GLU 70 -7.050 0.367 -15.310 563 HG2 GLU 70 HG2 GLU 70 -4.825 1.368 -15.142 564 HG3 GLU 70 HG3 GLU 70 -4.146 -0.188 -14.668 565 H ALA 71 H ALA 71 -7.664 -2.039 -12.700 566 HA ALA 71 HA ALA 71 -10.376 -1.174 -13.046 567 HB1 ALA 71 HB1 ALA 71 -10.963 -3.364 -12.056 568 HB2 ALA 71 HB2 ALA 71 -9.708 -3.520 -13.309 569 HB3 ALA 71 HB3 ALA 71 -9.263 -3.598 -11.589 570 H ALA 72 H ALA 72 -8.357 -1.704 -10.161 571 HA ALA 72 HA ALA 72 -10.455 -1.079 -8.301 572 HB1 ALA 72 HB1 ALA 72 -8.624 -0.911 -6.645 573 HB2 ALA 72 HB2 ALA 72 -8.476 -2.375 -7.645 574 HB3 ALA 72 HB3 ALA 72 -7.434 -0.968 -7.965 575 H ARG 73 H ARG 73 -7.942 0.842 -9.891 576 HA ARG 73 HA ARG 73 -8.407 3.212 -8.313 577 HB2 ARG 73 HB2 ARG 73 -6.319 2.661 -9.655 578 HB3 ARG 73 HB3 ARG 73 -7.226 3.072 -11.103 579 HG2 ARG 73 HG2 ARG 73 -7.516 5.358 -10.327 580 HG3 ARG 73 HG3 ARG 73 -6.704 4.960 -8.794 581 HD2 ARG 73 HD2 ARG 73 -4.715 4.289 -10.156 582 HD3 ARG 73 HD3 ARG 73 -5.540 5.003 -11.561 583 HE ARG 73 HE ARG 73 -4.361 6.406 -9.277 584 HH11 ARG 73 HH11 ARG 73 -6.392 6.582 -12.139 585 HH12 ARG 73 HH12 ARG 73 -6.228 8.317 -12.301 586 HH21 ARG 73 HH21 ARG 73 -4.156 8.657 -9.498 587 HH22 ARG 73 HH22 ARG 73 -4.963 9.491 -10.808 588 H SER 74 H SER 74 -9.531 2.092 -11.503 589 HA SER 74 HA SER 74 -11.054 4.548 -11.950 590 HB2 SER 74 HB2 SER 74 -10.967 1.905 -13.441 591 HB3 SER 74 HB3 SER 74 -11.873 3.312 -13.969 592 HG SER 74 HG SER 74 -9.180 2.814 -13.966 593 H GLY 75 H GLY 75 -11.632 1.334 -10.683 594 HA2 GLY 75 HA2 GLY 75 -13.492 0.643 -9.409 595 HA3 GLY 75 HA3 GLY 75 -14.332 2.124 -9.828 596 H GLY 76 H GLY 76 -12.806 -0.264 -11.998 597 HA2 GLY 76 HA2 GLY 76 -15.435 -1.257 -12.901 598 HA3 GLY 76 HA3 GLY 76 -14.554 -0.299 -14.076 599 HA PRO 77 HA PRO 77 -12.725 -4.674 -13.345 600 HB2 PRO 77 HB2 PRO 77 -14.526 -6.500 -14.336 601 HB3 PRO 77 HB3 PRO 77 -14.552 -5.963 -12.650 602 HG2 PRO 77 HG2 PRO 77 -16.213 -4.958 -15.001 603 HG3 PRO 77 HG3 PRO 77 -16.768 -5.422 -13.391 604 HD2 PRO 77 HD2 PRO 77 -16.335 -2.815 -14.028 605 HD3 PRO 77 HD3 PRO 77 -15.960 -3.450 -12.376 606 H SER 78 H SER 78 -14.241 -2.955 -15.863 607 HA SER 78 HA SER 78 -13.327 -4.590 -18.087 608 HB2 SER 78 HB2 SER 78 -14.080 -2.766 -19.478 609 HB3 SER 78 HB3 SER 78 -15.279 -3.056 -18.226 610 HG SER 78 HG SER 78 -13.243 -1.111 -18.164 611 H PHE 79 H PHE 79 -11.758 -2.601 -15.887 612 HA PHE 79 HA PHE 79 -9.648 -1.844 -17.847 613 HB2 PHE 79 HB3 PHE 79 -10.104 -0.959 -14.969 614 HB3 PHE 79 HB2 PHE 79 -8.773 -0.424 -15.983 615 HD1 PHE 79 HD1 PHE 79 -12.343 -0.131 -15.297 616 HD2 PHE 79 HD2 PHE 79 -9.164 1.066 -17.886 617 HE1 PHE 79 HE1 PHE 79 -13.752 1.700 -16.175 618 HE2 PHE 79 HE2 PHE 79 -10.568 2.901 -18.767 619 HZ PHE 79 HZ PHE 79 -12.865 3.216 -17.912 620 H GLY 80 H GLY 80 -7.370 -1.949 -16.964 621 HA2 GLY 80 HA2 GLY 80 -5.751 -3.155 -15.621 622 HA3 GLY 80 HA3 GLY 80 -6.948 -4.399 -15.314 623 HA PRO 81 HA PRO 81 -3.961 -5.406 -18.874 624 HB2 PRO 81 HB2 PRO 81 -3.470 -7.734 -16.985 625 HB3 PRO 81 HB3 PRO 81 -2.324 -6.893 -18.034 626 HG2 PRO 81 HG2 PRO 81 -2.295 -6.336 -15.432 627 HG3 PRO 81 HG3 PRO 81 -2.164 -5.008 -16.590 628 HD2 PRO 81 HD2 PRO 81 -4.604 -5.968 -15.038 629 HD3 PRO 81 HD3 PRO 81 -4.039 -4.275 -15.339 Start of MODEL 6 1 HA SER 1 HA SER 1 -5.570 -15.450 -7.757 2 HB2 SER 1 HB2 SER 1 -7.655 -14.353 -7.090 3 HB3 SER 1 HB3 SER 1 -7.519 -15.943 -6.354 4 HG SER 1 HG SER 1 -6.888 -13.473 -5.159 5 H VAL 2 H VAL 2 -3.210 -14.325 -6.466 6 HA VAL 2 HA VAL 2 -3.819 -11.412 -6.656 7 HB VAL 2 HB VAL 2 -1.359 -12.827 -5.541 8 HG11 VAL 2 HG11 VAL 2 -0.736 -10.621 -4.687 9 HG12 VAL 2 HG12 VAL 2 -0.817 -10.650 -6.464 10 HG13 VAL 2 HG13 VAL 2 -2.133 -9.903 -5.525 11 HG21 VAL 2 HG21 VAL 2 -2.231 -12.080 -3.349 12 HG22 VAL 2 HG22 VAL 2 -3.673 -11.413 -4.152 13 HG23 VAL 2 HG23 VAL 2 -3.380 -13.170 -4.161 14 H LYS 3 H LYS 3 -3.481 -10.539 -8.573 15 HA LYS 3 HA LYS 3 -1.581 -11.839 -10.433 16 HB2 LYS 3 HB2 LYS 3 -3.686 -9.676 -10.809 17 HB3 LYS 3 HB3 LYS 3 -2.580 -10.176 -12.081 18 HG2 LYS 3 HG2 LYS 3 -3.482 -12.458 -11.999 19 HG3 LYS 3 HG3 LYS 3 -4.567 -11.990 -10.682 20 HD2 LYS 3 HD2 LYS 3 -5.631 -10.311 -12.170 21 HD3 LYS 3 HD3 LYS 3 -4.562 -10.814 -13.487 22 HE2 LYS 3 HE2 LYS 3 -5.509 -13.064 -13.455 23 HE3 LYS 3 HE3 LYS 3 -6.498 -12.663 -12.049 24 HZ1 LYS 3 HZ1 LYS 3 -7.752 -12.536 -14.074 25 HZ2 LYS 3 HZ2 LYS 3 -7.647 -11.038 -13.391 26 HZ3 LYS 3 HZ3 LYS 3 -6.723 -11.414 -14.706 27 H GLU 4 H GLU 4 -2.345 -8.466 -9.481 28 HA GLU 4 HA GLU 4 0.465 -7.746 -10.104 29 HB2 GLU 4 HB2 GLU 4 -1.983 -6.043 -9.488 30 HB3 GLU 4 HB3 GLU 4 -0.377 -5.390 -9.772 31 HG2 GLU 4 HG2 GLU 4 -0.394 -6.398 -12.038 32 HG3 GLU 4 HG3 GLU 4 -2.034 -6.974 -11.746 33 H THR 5 H THR 5 1.885 -6.897 -8.651 34 HA THR 5 HA THR 5 1.015 -6.988 -5.791 35 HB THR 5 HB THR 5 3.292 -7.807 -5.212 36 HG1 THR 5 HG1 THR 5 4.688 -7.400 -6.772 37 HG21 THR 5 HG21 THR 5 3.020 -10.102 -6.066 38 HG22 THR 5 HG22 THR 5 1.457 -9.427 -5.551 39 HG23 THR 5 HG23 THR 5 1.859 -9.518 -7.281 40 H LYS 6 H LYS 6 1.590 -4.875 -8.050 41 HA LYS 6 HA LYS 6 3.885 -3.399 -7.364 42 HB2 LYS 6 HB2 LYS 6 2.547 -2.978 -9.395 43 HB3 LYS 6 HB3 LYS 6 1.215 -2.382 -8.415 44 HG2 LYS 6 HG2 LYS 6 2.598 -0.502 -7.643 45 HG3 LYS 6 HG3 LYS 6 3.962 -1.110 -8.592 46 HD2 LYS 6 HD2 LYS 6 2.661 -0.841 -10.666 47 HD3 LYS 6 HD3 LYS 6 1.267 -0.279 -9.731 48 HE2 LYS 6 HE2 LYS 6 2.569 1.653 -8.929 49 HE3 LYS 6 HE3 LYS 6 3.983 1.086 -9.821 50 HZ1 LYS 6 HZ1 LYS 6 2.801 2.774 -11.022 51 HZ2 LYS 6 HZ2 LYS 6 2.736 1.351 -11.853 52 HZ3 LYS 6 HZ3 LYS 6 1.415 1.881 -11.020 53 H LEU 7 H LEU 7 0.541 -2.993 -6.162 54 HA LEU 7 HA LEU 7 1.203 -0.775 -4.468 55 HB2 LEU 7 HB2 LEU 7 -1.117 -2.737 -4.375 56 HB3 LEU 7 HB3 LEU 7 -1.014 -1.261 -3.408 57 HG LEU 7 HG LEU 7 -1.177 -1.408 -6.440 58 HD11 LEU 7 HD11 LEU 7 -3.389 -0.401 -6.091 59 HD12 LEU 7 HD12 LEU 7 -3.260 -1.991 -5.305 60 HD13 LEU 7 HD13 LEU 7 -3.160 -0.505 -4.329 61 HD21 LEU 7 HD21 LEU 7 -1.353 1.053 -6.296 62 HD22 LEU 7 HD22 LEU 7 -1.096 0.969 -4.536 63 HD23 LEU 7 HD23 LEU 7 0.205 0.483 -5.650 64 H TYR 8 H TYR 8 1.152 -4.272 -3.998 65 HA TYR 8 HA TYR 8 1.456 -4.170 -1.130 66 HB2 TYR 8 HB2 TYR 8 2.045 -6.347 -3.171 67 HB3 TYR 8 HB3 TYR 8 2.211 -6.576 -1.437 68 HD1 TYR 8 HD1 TYR 8 -0.016 -6.645 -4.228 69 HD2 TYR 8 HD2 TYR 8 0.143 -6.167 0.034 70 HE1 TYR 8 HE1 TYR 8 -2.412 -7.227 -4.073 71 HE2 TYR 8 HE2 TYR 8 -2.254 -6.751 0.189 72 HH TYR 8 HH TYR 8 -4.053 -7.888 -2.596 73 H ASP 9 H ASP 9 3.704 -4.238 -3.854 74 HA ASP 9 HA ASP 9 6.061 -4.611 -2.233 75 HB2 ASP 9 HB2 ASP 9 5.636 -3.551 -5.050 76 HB3 ASP 9 HB3 ASP 9 7.230 -3.697 -4.322 77 H LEU 10 H LEU 10 4.296 -1.785 -3.437 78 HA LEU 10 HA LEU 10 6.174 0.185 -2.566 79 HB2 LEU 10 HB2 LEU 10 3.168 0.263 -2.969 80 HB3 LEU 10 HB3 LEU 10 4.117 1.687 -2.532 81 HG LEU 10 HG LEU 10 4.544 0.051 -5.057 82 HD11 LEU 10 HD11 LEU 10 3.429 1.916 -6.196 83 HD12 LEU 10 HD12 LEU 10 2.342 1.104 -5.046 84 HD13 LEU 10 HD13 LEU 10 3.079 2.668 -4.623 85 HD21 LEU 10 HD21 LEU 10 5.893 2.012 -5.725 86 HD22 LEU 10 HD22 LEU 10 5.578 2.767 -4.143 87 HD23 LEU 10 HD23 LEU 10 6.535 1.269 -4.239 88 H LEU 11 H LEU 11 3.459 -1.431 -0.941 89 HA LEU 11 HA LEU 11 3.822 0.069 1.525 90 HB2 LEU 11 HB2 LEU 11 2.301 -2.483 0.891 91 HB3 LEU 11 HB3 LEU 11 2.273 -1.676 2.461 92 HG LEU 11 HG LEU 11 1.256 -0.515 -0.158 93 HD11 LEU 11 HD11 LEU 11 -0.945 -0.760 0.900 94 HD12 LEU 11 HD12 LEU 11 -0.129 -2.328 0.710 95 HD13 LEU 11 HD13 LEU 11 -0.184 -1.542 2.305 96 HD21 LEU 11 HD21 LEU 11 0.420 1.312 1.281 97 HD22 LEU 11 HD22 LEU 11 1.200 0.560 2.693 98 HD23 LEU 11 HD23 LEU 11 2.195 1.197 1.361 99 H GLY 12 H GLY 12 5.040 -2.919 0.152 100 HA2 GLY 12 HA2 GLY 12 6.930 -4.130 0.845 101 HA3 GLY 12 HA3 GLY 12 7.065 -3.100 2.258 102 H VAL 13 H VAL 13 4.289 -5.042 1.112 103 HA VAL 13 HA VAL 13 4.532 -6.780 3.502 104 HB VAL 13 HB VAL 13 3.130 -4.852 4.201 105 HG11 VAL 13 HG11 VAL 13 0.952 -4.468 3.157 106 HG12 VAL 13 HG12 VAL 13 2.293 -4.186 2.022 107 HG13 VAL 13 HG13 VAL 13 1.334 -5.682 1.913 108 HG21 VAL 13 HG21 VAL 13 1.172 -6.168 4.949 109 HG22 VAL 13 HG22 VAL 13 1.571 -7.433 3.763 110 HG23 VAL 13 HG23 VAL 13 2.677 -7.102 5.117 111 H SER 14 H SER 14 3.694 -8.796 3.256 112 HA SER 14 HA SER 14 3.314 -9.747 0.587 113 HB2 SER 14 HB2 SER 14 4.190 -11.201 2.311 114 HB3 SER 14 HB3 SER 14 2.742 -11.005 3.286 115 HG SER 14 HG SER 14 2.049 -12.633 2.270 116 HA PRO 15 HA PRO 15 -0.938 -8.972 0.017 117 HB2 PRO 15 HB2 PRO 15 -1.454 -10.697 -2.057 118 HB3 PRO 15 HB3 PRO 15 -0.492 -9.227 -2.268 119 HG2 PRO 15 HG2 PRO 15 0.462 -12.087 -1.808 120 HG3 PRO 15 HG3 PRO 15 1.015 -10.933 -3.025 121 HD2 PRO 15 HD2 PRO 15 2.384 -11.294 -0.699 122 HD3 PRO 15 HD3 PRO 15 2.264 -9.665 -1.476 123 H SER 16 H SER 16 0.396 -11.967 1.033 124 HA SER 16 HA SER 16 -2.076 -13.407 1.456 125 HB2 SER 16 HB2 SER 16 -0.754 -14.880 2.835 126 HB3 SER 16 HB3 SER 16 0.177 -14.469 1.402 127 HG SER 16 HG SER 16 0.446 -13.571 4.030 128 H ALA 17 H ALA 17 -0.609 -10.711 2.974 129 HA ALA 17 HA ALA 17 -1.762 -11.118 5.602 130 HB1 ALA 17 HB1 ALA 17 -1.122 -8.760 5.985 131 HB2 ALA 17 HB2 ALA 17 0.217 -9.702 5.286 132 HB3 ALA 17 HB3 ALA 17 -0.724 -8.596 4.258 133 H ASN 18 H ASN 18 -3.525 -10.126 6.551 134 HA ASN 18 HA ASN 18 -5.698 -9.500 4.671 135 HB2 ASN 18 HB2 ASN 18 -7.144 -9.568 6.604 136 HB3 ASN 18 HB3 ASN 18 -6.078 -10.965 6.641 137 HD21 ASN 18 HD21 ASN 18 -5.736 -10.075 10.027 138 HD22 ASN 18 HD22 ASN 18 -6.568 -11.091 8.897 139 H GLU 19 H GLU 19 -7.263 -7.693 5.599 140 HA GLU 19 HA GLU 19 -5.948 -5.350 4.676 141 HB2 GLU 19 HB2 GLU 19 -8.599 -5.684 6.133 142 HB3 GLU 19 HB3 GLU 19 -8.069 -4.183 5.387 143 HG2 GLU 19 HG2 GLU 19 -9.425 -5.061 3.761 144 HG3 GLU 19 HG3 GLU 19 -7.838 -5.610 3.226 145 H GLN 20 H GLN 20 -6.551 -6.575 7.914 146 HA GLN 20 HA GLN 20 -5.945 -4.120 9.292 147 HB2 GLN 20 HB2 GLN 20 -5.885 -7.028 10.184 148 HB3 GLN 20 HB3 GLN 20 -5.585 -5.678 11.269 149 HG2 GLN 20 HG2 GLN 20 -7.817 -4.813 10.891 150 HG3 GLN 20 HG3 GLN 20 -8.132 -6.097 9.690 151 HE21 GLN 20 HE21 GLN 20 -9.553 -6.940 13.093 152 HE22 GLN 20 HE22 GLN 20 -9.645 -5.527 12.095 153 H GLU 21 H GLU 21 -4.009 -6.962 8.373 154 HA GLU 21 HA GLU 21 -1.580 -5.907 9.561 155 HB2 GLU 21 HB2 GLU 21 -2.085 -8.138 7.555 156 HB3 GLU 21 HB3 GLU 21 -0.492 -7.746 8.184 157 HG2 GLU 21 HG2 GLU 21 -2.871 -8.625 9.837 158 HG3 GLU 21 HG3 GLU 21 -1.525 -9.647 9.335 159 H LEU 22 H LEU 22 -3.127 -5.742 6.405 160 HA LEU 22 HA LEU 22 -0.906 -4.601 4.996 161 HB2 LEU 22 HB2 LEU 22 -3.905 -4.380 4.578 162 HB3 LEU 22 HB3 LEU 22 -2.710 -3.720 3.457 163 HG LEU 22 HG LEU 22 -2.981 -6.661 4.170 164 HD11 LEU 22 HD11 LEU 22 -3.934 -6.878 1.918 165 HD12 LEU 22 HD12 LEU 22 -4.929 -5.830 2.955 166 HD13 LEU 22 HD13 LEU 22 -3.869 -5.112 1.720 167 HD21 LEU 22 HD21 LEU 22 -1.448 -6.960 2.253 168 HD22 LEU 22 HD22 LEU 22 -1.346 -5.194 2.059 169 HD23 LEU 22 HD23 LEU 22 -0.698 -5.967 3.525 170 H LYS 23 H LYS 23 -3.524 -3.203 6.948 171 HA LYS 23 HA LYS 23 -2.856 -0.468 6.601 172 HB2 LYS 23 HB2 LYS 23 -4.889 -1.209 7.772 173 HB3 LYS 23 HB3 LYS 23 -3.921 -1.911 9.062 174 HG2 LYS 23 HG2 LYS 23 -3.119 0.308 9.711 175 HG3 LYS 23 HG3 LYS 23 -4.010 1.040 8.370 176 HD2 LYS 23 HD2 LYS 23 -6.137 0.241 9.331 177 HD3 LYS 23 HD3 LYS 23 -5.255 -0.524 10.661 178 HE2 LYS 23 HE2 LYS 23 -4.391 1.690 11.358 179 HE3 LYS 23 HE3 LYS 23 -5.279 2.453 10.036 180 HZ1 LYS 23 HZ1 LYS 23 -6.470 2.594 12.098 181 HZ2 LYS 23 HZ2 LYS 23 -7.317 1.665 11.029 182 HZ3 LYS 23 HZ3 LYS 23 -6.487 0.954 12.264 183 H LYS 24 H LYS 24 -1.605 -2.868 8.928 184 HA LYS 24 HA LYS 24 0.233 -1.148 10.236 185 HB2 LYS 24 HB2 LYS 24 0.334 -4.140 9.697 186 HB3 LYS 24 HB3 LYS 24 1.493 -3.301 10.719 187 HG2 LYS 24 HG2 LYS 24 -0.295 -2.630 12.252 188 HG3 LYS 24 HG3 LYS 24 -1.499 -3.393 11.203 189 HD2 LYS 24 HD2 LYS 24 -0.332 -5.584 11.524 190 HD3 LYS 24 HD3 LYS 24 0.776 -4.793 12.656 191 HE2 LYS 24 HE2 LYS 24 -1.088 -4.218 14.134 192 HE3 LYS 24 HE3 LYS 24 -2.246 -4.889 12.982 193 HZ1 LYS 24 HZ1 LYS 24 -1.763 -6.423 14.744 194 HZ2 LYS 24 HZ2 LYS 24 -1.235 -7.040 13.308 195 HZ3 LYS 24 HZ3 LYS 24 -0.154 -6.414 14.384 196 H GLY 25 H GLY 25 0.560 -3.084 7.272 197 HA2 GLY 25 HA2 GLY 25 3.291 -2.552 6.723 198 HA3 GLY 25 HA3 GLY 25 2.062 -2.891 5.519 199 H TYR 26 H TYR 26 0.332 -0.732 5.855 200 HA TYR 26 HA TYR 26 1.621 1.350 4.411 201 HB2 TYR 26 HB2 TYR 26 -0.779 1.089 4.275 202 HB3 TYR 26 HB3 TYR 26 -0.964 1.299 6.011 203 HD1 TYR 26 HD1 TYR 26 0.581 3.158 3.135 204 HD2 TYR 26 HD2 TYR 26 -1.781 3.322 6.713 205 HE1 TYR 26 HE1 TYR 26 0.249 5.585 2.807 206 HE2 TYR 26 HE2 TYR 26 -2.112 5.747 6.385 207 HH TYR 26 HH TYR 26 -0.930 7.391 3.490 208 H ARG 27 H ARG 27 0.789 1.092 7.869 209 HA ARG 27 HA ARG 27 1.657 3.658 8.658 210 HB2 ARG 27 HB2 ARG 27 1.686 1.017 10.149 211 HB3 ARG 27 HB3 ARG 27 2.074 2.553 10.904 212 HG2 ARG 27 HG2 ARG 27 -0.164 3.392 10.448 213 HG3 ARG 27 HG3 ARG 27 -0.567 1.891 9.581 214 HD2 ARG 27 HD2 ARG 27 -1.468 1.773 11.774 215 HD3 ARG 27 HD3 ARG 27 -0.100 0.643 11.665 216 HE ARG 27 HE ARG 27 0.708 3.217 12.658 217 HH11 ARG 27 HH11 ARG 27 -0.832 0.194 13.569 218 HH12 ARG 27 HH12 ARG 27 -0.385 0.330 15.254 219 HH21 ARG 27 HH21 ARG 27 1.283 3.381 14.848 220 HH22 ARG 27 HH22 ARG 27 0.812 2.133 15.980 221 H LYS 28 H LYS 28 3.490 0.618 8.333 222 HA LYS 28 HA LYS 28 5.989 1.729 9.223 223 HB2 LYS 28 HB2 LYS 28 5.322 -0.693 7.510 224 HB3 LYS 28 HB3 LYS 28 6.959 -0.284 8.002 225 HG2 LYS 28 HG2 LYS 28 6.327 -0.509 10.366 226 HG3 LYS 28 HG3 LYS 28 4.663 -0.878 9.892 227 HD2 LYS 28 HD2 LYS 28 5.464 -2.870 8.649 228 HD3 LYS 28 HD3 LYS 28 7.122 -2.507 9.152 229 HE2 LYS 28 HE2 LYS 28 6.471 -2.757 11.518 230 HE3 LYS 28 HE3 LYS 28 4.806 -3.091 11.034 231 HZ1 LYS 28 HZ1 LYS 28 6.017 -5.099 11.471 232 HZ2 LYS 28 HZ2 LYS 28 5.594 -5.040 9.878 233 HZ3 LYS 28 HZ3 LYS 28 7.149 -4.730 10.331 234 H ALA 29 H ALA 29 4.527 1.284 6.007 235 HA ALA 29 HA ALA 29 6.785 2.272 4.552 236 HB1 ALA 29 HB1 ALA 29 5.186 2.531 2.682 237 HB2 ALA 29 HB2 ALA 29 5.007 0.955 3.488 238 HB3 ALA 29 HB3 ALA 29 3.836 2.256 3.808 239 H ALA 30 H ALA 30 3.975 3.853 6.004 240 HA ALA 30 HA ALA 30 4.379 6.418 4.841 241 HB1 ALA 30 HB1 ALA 30 3.010 7.255 6.725 242 HB2 ALA 30 HB2 ALA 30 2.301 5.796 5.992 243 HB3 ALA 30 HB3 ALA 30 3.178 5.681 7.535 244 H LEU 31 H LEU 31 5.645 4.958 7.830 245 HA LEU 31 HA LEU 31 7.197 7.253 8.599 246 HB2 LEU 31 HB2 LEU 31 7.483 4.293 9.212 247 HB3 LEU 31 HB3 LEU 31 8.504 5.540 9.934 248 HG LEU 31 HG LEU 31 5.483 5.395 10.241 249 HD11 LEU 31 HD11 LEU 31 5.974 4.600 12.511 250 HD12 LEU 31 HD12 LEU 31 6.583 3.476 11.274 251 HD13 LEU 31 HD13 LEU 31 7.711 4.560 12.121 252 HD21 LEU 31 HD21 LEU 31 5.894 7.061 12.022 253 HD22 LEU 31 HD22 LEU 31 7.630 7.057 11.626 254 HD23 LEU 31 HD23 LEU 31 6.448 7.663 10.440 255 H LYS 32 H LYS 32 7.871 4.388 6.606 256 HA LYS 32 HA LYS 32 10.652 4.798 6.268 257 HB2 LYS 32 HB2 LYS 32 9.471 2.732 5.585 258 HB3 LYS 32 HB3 LYS 32 8.642 3.613 4.311 259 HG2 LYS 32 HG2 LYS 32 10.770 4.037 3.175 260 HG3 LYS 32 HG3 LYS 32 11.644 3.226 4.482 261 HD2 LYS 32 HD2 LYS 32 10.441 1.123 3.991 262 HD3 LYS 32 HD3 LYS 32 9.552 1.932 2.692 263 HE2 LYS 32 HE2 LYS 32 11.673 2.381 1.510 264 HE3 LYS 32 HE3 LYS 32 12.573 1.599 2.811 265 HZ1 LYS 32 HZ1 LYS 32 12.214 0.121 0.974 266 HZ2 LYS 32 HZ2 LYS 32 11.418 -0.443 2.304 267 HZ3 LYS 32 HZ3 LYS 32 10.577 0.289 1.087 268 H TYR 33 H TYR 33 7.888 6.088 4.434 269 HA TYR 33 HA TYR 33 9.817 7.735 2.861 270 HB2 TYR 33 HB2 TYR 33 6.910 7.060 2.250 271 HB3 TYR 33 HB3 TYR 33 7.989 7.992 1.223 272 HD1 TYR 33 HD1 TYR 33 6.592 4.852 1.712 273 HD2 TYR 33 HD2 TYR 33 10.322 6.724 0.715 274 HE1 TYR 33 HE1 TYR 33 7.342 2.771 0.609 275 HE2 TYR 33 HE2 TYR 33 11.071 4.644 -0.389 276 HH TYR 33 HH TYR 33 8.934 1.821 -0.640 277 H HIS 34 H HIS 34 8.778 8.236 5.630 278 HA HIS 34 HA HIS 34 6.820 10.340 5.516 279 HB2 HIS 34 HB2 HIS 34 7.556 8.930 7.550 280 HB3 HIS 34 HB3 HIS 34 8.923 10.030 7.672 281 HD2 HIS 34 HD2 HIS 34 5.279 9.831 8.777 282 HE1 HIS 34 HE1 HIS 34 6.495 13.882 9.296 283 HE2 HIS 34 HE2 HIS 34 4.694 12.151 9.803 284 HA PRO 35 HA PRO 35 8.999 13.543 3.673 285 HB2 PRO 35 HB2 PRO 35 7.341 15.226 5.607 286 HB3 PRO 35 HB3 PRO 35 7.629 15.490 3.882 287 HG2 PRO 35 HG2 PRO 35 5.318 14.400 4.613 288 HG3 PRO 35 HG3 PRO 35 6.174 13.720 3.226 289 HD2 PRO 35 HD2 PRO 35 6.011 12.690 6.076 290 HD3 PRO 35 HD3 PRO 35 6.009 11.762 4.523 291 H ASP 36 H ASP 36 8.704 13.336 7.193 292 HA ASP 36 HA ASP 36 10.816 15.374 7.577 293 HB2 ASP 36 HB2 ASP 36 8.993 13.920 9.535 294 HB3 ASP 36 HB3 ASP 36 10.238 15.062 10.021 295 H LYS 37 H LYS 37 11.006 12.352 6.691 296 HA LYS 37 HA LYS 37 13.220 11.706 8.590 297 HB2 LYS 37 HB2 LYS 37 11.623 9.859 6.771 298 HB3 LYS 37 HB3 LYS 37 12.984 9.361 7.767 299 HG2 LYS 37 HG2 LYS 37 10.413 10.549 8.852 300 HG3 LYS 37 HG3 LYS 37 10.770 8.819 8.750 301 HD2 LYS 37 HD2 LYS 37 12.786 9.189 10.184 302 HD3 LYS 37 HD3 LYS 37 12.324 10.890 10.345 303 HE2 LYS 37 HE2 LYS 37 10.154 10.182 11.339 304 HE3 LYS 37 HE3 LYS 37 10.670 8.496 11.231 305 HZ1 LYS 37 HZ1 LYS 37 11.059 9.401 13.404 306 HZ2 LYS 37 HZ2 LYS 37 12.499 9.024 12.691 307 HZ3 LYS 37 HZ3 LYS 37 12.015 10.598 12.794 308 HA PRO 38 HA PRO 38 16.303 12.290 5.642 309 HB2 PRO 38 HB2 PRO 38 17.220 9.461 6.294 310 HB3 PRO 38 HB3 PRO 38 18.170 10.951 6.235 311 HG2 PRO 38 HG2 PRO 38 17.457 10.010 8.617 312 HG3 PRO 38 HG3 PRO 38 17.319 11.744 8.314 313 HD2 PRO 38 HD2 PRO 38 15.148 9.613 8.278 314 HD3 PRO 38 HD3 PRO 38 15.092 11.286 8.964 315 H THR 39 H THR 39 14.511 9.236 5.592 316 HA THR 39 HA THR 39 15.184 8.847 2.721 317 HB THR 39 HB THR 39 14.151 6.595 3.010 318 HG1 THR 39 HG1 THR 39 12.724 6.738 4.635 319 HG21 THR 39 HG21 THR 39 15.889 5.662 4.487 320 HG22 THR 39 HG22 THR 39 16.569 6.905 3.409 321 HG23 THR 39 HG23 THR 39 16.237 7.291 5.114 322 H GLY 40 H GLY 40 13.279 10.884 3.886 323 HA2 GLY 40 HA2 GLY 40 10.582 10.112 3.407 324 HA3 GLY 40 HA3 GLY 40 11.187 11.758 3.392 325 H ASP 41 H ASP 41 9.249 10.254 1.635 326 HA ASP 41 HA ASP 41 10.315 11.262 -0.916 327 HB2 ASP 41 HB2 ASP 41 11.110 8.905 -0.839 328 HB3 ASP 41 HB3 ASP 41 9.457 8.356 -0.602 329 H THR 42 H THR 42 8.718 12.719 -1.169 330 HA THR 42 HA THR 42 6.068 12.376 -0.223 331 HB THR 42 HB THR 42 7.107 14.221 -2.418 332 HG1 THR 42 HG1 THR 42 6.831 15.693 -0.474 333 HG21 THR 42 HG21 THR 42 5.094 15.559 -1.940 334 HG22 THR 42 HG22 THR 42 4.655 13.936 -2.523 335 HG23 THR 42 HG23 THR 42 4.538 14.321 -0.791 336 H GLU 43 H GLU 43 7.490 11.791 -3.425 337 HA GLU 43 HA GLU 43 5.083 11.326 -4.837 338 HB2 GLU 43 HB2 GLU 43 7.302 11.572 -5.916 339 HB3 GLU 43 HB3 GLU 43 7.810 10.030 -5.240 340 HG2 GLU 43 HG2 GLU 43 6.117 8.860 -6.548 341 HG3 GLU 43 HG3 GLU 43 5.513 10.392 -7.176 342 H LYS 44 H LYS 44 7.261 8.927 -3.303 343 HA LYS 44 HA LYS 44 5.448 6.737 -3.776 344 HB2 LYS 44 HB2 LYS 44 7.859 7.080 -1.964 345 HB3 LYS 44 HB3 LYS 44 6.940 5.583 -2.033 346 HG2 LYS 44 HG2 LYS 44 7.425 5.432 -4.472 347 HG3 LYS 44 HG3 LYS 44 8.422 6.888 -4.334 348 HD2 LYS 44 HD2 LYS 44 9.885 5.754 -2.710 349 HD3 LYS 44 HD3 LYS 44 8.872 4.306 -2.790 350 HE2 LYS 44 HE2 LYS 44 9.402 4.032 -5.171 351 HE3 LYS 44 HE3 LYS 44 10.356 5.518 -5.151 352 HZ1 LYS 44 HZ1 LYS 44 11.735 3.582 -4.953 353 HZ2 LYS 44 HZ2 LYS 44 11.834 4.480 -3.571 354 HZ3 LYS 44 HZ3 LYS 44 10.945 3.090 -3.591 355 H PHE 45 H PHE 45 5.917 9.017 -1.135 356 HA PHE 45 HA PHE 45 4.381 7.723 0.854 357 HB2 PHE 45 HB3 PHE 45 5.757 9.828 1.130 358 HB3 PHE 45 HB2 PHE 45 4.482 10.716 0.311 359 HD1 PHE 45 HD1 PHE 45 2.519 11.383 1.446 360 HD2 PHE 45 HD2 PHE 45 5.268 8.704 3.318 361 HE1 PHE 45 HE1 PHE 45 1.340 11.680 3.598 362 HE2 PHE 45 HE2 PHE 45 4.090 8.995 5.471 363 HZ PHE 45 HZ PHE 45 2.126 10.486 5.611 364 H LYS 46 H LYS 46 3.373 9.834 -1.832 365 HA LYS 46 HA LYS 46 0.560 9.682 -1.189 366 HB2 LYS 46 HB2 LYS 46 2.052 10.391 -3.741 367 HB3 LYS 46 HB3 LYS 46 0.300 10.444 -3.609 368 HG2 LYS 46 HG2 LYS 46 0.470 12.128 -1.822 369 HG3 LYS 46 HG3 LYS 46 2.236 12.064 -1.928 370 HD2 LYS 46 HD2 LYS 46 2.131 12.816 -4.276 371 HD3 LYS 46 HD3 LYS 46 0.365 12.857 -4.191 372 HE2 LYS 46 HE2 LYS 46 0.480 14.568 -2.418 373 HE3 LYS 46 HE3 LYS 46 2.244 14.518 -2.472 374 HZ1 LYS 46 HZ1 LYS 46 1.374 16.336 -3.748 375 HZ2 LYS 46 HZ2 LYS 46 2.139 15.270 -4.748 376 HZ3 LYS 46 HZ3 LYS 46 0.490 15.319 -4.697 377 H GLU 47 H GLU 47 2.770 7.756 -3.159 378 HA GLU 47 HA GLU 47 0.751 6.274 -4.547 379 HB2 GLU 47 HB2 GLU 47 3.661 5.675 -3.903 380 HB3 GLU 47 HB3 GLU 47 2.660 4.592 -4.860 381 HG2 GLU 47 HG2 GLU 47 2.312 6.337 -6.530 382 HG3 GLU 47 HG3 GLU 47 3.235 7.480 -5.556 383 H ILE 48 H ILE 48 2.508 5.697 -1.510 384 HA ILE 48 HA ILE 48 1.325 3.088 -1.090 385 HB ILE 48 HB ILE 48 2.287 3.271 1.193 386 HG12 ILE 48 HG12 ILE 48 3.133 6.069 0.416 387 HG13 ILE 48 HG13 ILE 48 1.755 5.711 1.445 388 HG21 ILE 48 HG21 ILE 48 4.646 3.506 0.529 389 HG22 ILE 48 HG22 ILE 48 3.732 2.573 -0.679 390 HG23 ILE 48 HG23 ILE 48 4.145 4.274 -0.996 391 HD11 ILE 48 HD11 ILE 48 3.711 6.290 2.768 392 HD12 ILE 48 HD12 ILE 48 3.235 4.600 3.062 393 HD13 ILE 48 HD13 ILE 48 4.631 4.963 2.021 394 H SER 49 H SER 49 0.411 6.381 -0.351 395 HA SER 49 HA SER 49 -1.695 5.724 1.505 396 HB2 SER 49 HB2 SER 49 -1.276 8.099 -0.338 397 HB3 SER 49 HB3 SER 49 -2.569 7.995 0.847 398 HG SER 49 HG SER 49 0.185 8.164 1.205 399 H GLU 50 H GLU 50 -1.588 6.201 -2.033 400 HA GLU 50 HA GLU 50 -4.305 5.504 -2.539 401 HB2 GLU 50 HB2 GLU 50 -2.811 6.467 -4.255 402 HB3 GLU 50 HB3 GLU 50 -1.823 5.015 -4.234 403 HG2 GLU 50 HG2 GLU 50 -3.751 3.700 -5.041 404 HG3 GLU 50 HG3 GLU 50 -4.722 5.170 -5.085 405 H ALA 51 H ALA 51 -1.360 3.482 -2.392 406 HA ALA 51 HA ALA 51 -2.577 0.996 -2.878 407 HB1 ALA 51 HB1 ALA 51 -0.673 0.021 -1.636 408 HB2 ALA 51 HB2 ALA 51 -0.144 1.299 -2.756 409 HB3 ALA 51 HB3 ALA 51 -0.263 1.635 -1.014 410 H PHE 52 H PHE 52 -2.225 2.773 0.186 411 HA PHE 52 HA PHE 52 -3.336 0.803 1.888 412 HB2 PHE 52 HB3 PHE 52 -2.226 2.757 2.802 413 HB3 PHE 52 HB2 PHE 52 -3.390 3.840 2.052 414 HD1 PHE 52 HD1 PHE 52 -3.378 0.890 4.363 415 HD2 PHE 52 HD2 PHE 52 -5.042 4.701 3.387 416 HE1 PHE 52 HE1 PHE 52 -4.776 0.801 6.401 417 HE2 PHE 52 HE2 PHE 52 -6.440 4.616 5.425 418 HZ PHE 52 HZ PHE 52 -6.307 2.664 6.932 419 H GLU 53 H GLU 53 -4.965 3.596 0.338 420 HA GLU 53 HA GLU 53 -7.555 3.067 1.272 421 HB2 GLU 53 HB2 GLU 53 -6.946 5.139 0.092 422 HB3 GLU 53 HB3 GLU 53 -6.697 4.247 -1.402 423 HG2 GLU 53 HG2 GLU 53 -9.093 3.630 -1.417 424 HG3 GLU 53 HG3 GLU 53 -9.328 4.570 0.056 425 H ILE 54 H ILE 54 -6.021 1.919 -1.748 426 HA ILE 54 HA ILE 54 -8.337 0.523 -2.678 427 HB ILE 54 HB ILE 54 -5.381 0.235 -3.337 428 HG12 ILE 54 HG12 ILE 54 -7.652 1.371 -4.979 429 HG13 ILE 54 HG13 ILE 54 -6.618 2.344 -3.944 430 HG21 ILE 54 HG21 ILE 54 -6.092 -1.132 -5.257 431 HG22 ILE 54 HG22 ILE 54 -6.514 -1.922 -3.719 432 HG23 ILE 54 HG23 ILE 54 -7.772 -1.094 -4.667 433 HD11 ILE 54 HD11 ILE 54 -5.874 2.429 -6.258 434 HD12 ILE 54 HD12 ILE 54 -4.647 1.644 -5.233 435 HD13 ILE 54 HD13 ILE 54 -5.694 0.659 -6.282 436 H LEU 55 H LEU 55 -5.531 -0.496 -0.743 437 HA LEU 55 HA LEU 55 -6.416 -3.305 -0.901 438 HB2 LEU 55 HB2 LEU 55 -4.005 -2.034 0.445 439 HB3 LEU 55 HB3 LEU 55 -4.307 -3.769 0.316 440 HG LEU 55 HG LEU 55 -3.800 -1.876 -2.006 441 HD11 LEU 55 HD11 LEU 55 -1.679 -3.097 -2.192 442 HD12 LEU 55 HD12 LEU 55 -1.826 -2.268 -0.625 443 HD13 LEU 55 HD13 LEU 55 -2.086 -4.026 -0.730 444 HD21 LEU 55 HD21 LEU 55 -3.739 -3.955 -3.342 445 HD22 LEU 55 HD22 LEU 55 -4.175 -4.897 -1.896 446 HD23 LEU 55 HD23 LEU 55 -5.332 -3.730 -2.580 447 H ASN 56 H ASN 56 -6.835 -0.614 1.144 448 HA ASN 56 HA ASN 56 -7.323 -2.148 3.578 449 HB2 ASN 56 HB2 ASN 56 -6.673 0.252 3.609 450 HB3 ASN 56 HB3 ASN 56 -8.193 0.664 2.826 451 HD21 ASN 56 HD21 ASN 56 -9.845 0.971 5.832 452 HD22 ASN 56 HD22 ASN 56 -9.619 1.458 4.185 453 H ASP 57 H ASP 57 -9.436 -0.501 1.200 454 HA ASP 57 HA ASP 57 -11.840 -1.751 2.165 455 HB2 ASP 57 HB2 ASP 57 -11.808 0.300 0.744 456 HB3 ASP 57 HB3 ASP 57 -11.215 -0.657 -0.608 457 HA PRO 58 HA PRO 58 -10.816 -5.851 0.951 458 HB2 PRO 58 HB2 PRO 58 -13.843 -6.048 1.281 459 HB3 PRO 58 HB3 PRO 58 -12.596 -7.173 1.834 460 HG2 PRO 58 HG2 PRO 58 -13.646 -5.502 3.612 461 HG3 PRO 58 HG3 PRO 58 -11.896 -5.743 3.609 462 HD2 PRO 58 HD2 PRO 58 -13.518 -3.438 2.474 463 HD3 PRO 58 HD3 PRO 58 -11.937 -3.400 3.353 464 H GLN 59 H GLN 59 -13.541 -3.981 -0.378 465 HA GLN 59 HA GLN 59 -13.968 -5.695 -2.659 466 HB2 GLN 59 HB2 GLN 59 -14.781 -2.823 -2.076 467 HB3 GLN 59 HB3 GLN 59 -15.263 -3.687 -3.530 468 HG2 GLN 59 HG2 GLN 59 -16.430 -5.356 -2.187 469 HG3 GLN 59 HG3 GLN 59 -15.912 -4.522 -0.696 470 HE21 GLN 59 HE21 GLN 59 -19.400 -3.511 -1.547 471 HE22 GLN 59 HE22 GLN 59 -18.599 -5.017 -1.249 472 H LYS 60 H LYS 60 -12.289 -2.573 -2.220 473 HA LYS 60 HA LYS 60 -11.436 -2.395 -4.961 474 HB2 LYS 60 HB2 LYS 60 -10.421 -1.084 -2.413 475 HB3 LYS 60 HB3 LYS 60 -9.770 -0.719 -4.004 476 HG2 LYS 60 HG2 LYS 60 -11.989 0.057 -4.745 477 HG3 LYS 60 HG3 LYS 60 -12.653 -0.320 -3.149 478 HD2 LYS 60 HD2 LYS 60 -11.085 1.291 -2.114 479 HD3 LYS 60 HD3 LYS 60 -10.415 1.664 -3.709 480 HE2 LYS 60 HE2 LYS 60 -12.619 2.480 -4.456 481 HE3 LYS 60 HE3 LYS 60 -13.309 2.084 -2.879 482 HZ1 LYS 60 HZ1 LYS 60 -12.741 4.395 -3.038 483 HZ2 LYS 60 HZ2 LYS 60 -11.807 3.670 -1.888 484 HZ3 LYS 60 HZ3 LYS 60 -11.163 4.040 -3.361 485 H ARG 61 H ARG 61 -10.012 -3.796 -2.042 486 HA ARG 61 HA ARG 61 -7.440 -4.376 -3.086 487 HB2 ARG 61 HB2 ARG 61 -8.032 -4.628 -0.709 488 HB3 ARG 61 HB3 ARG 61 -9.109 -5.961 -1.100 489 HG2 ARG 61 HG2 ARG 61 -7.134 -7.238 -1.951 490 HG3 ARG 61 HG3 ARG 61 -6.095 -5.913 -1.370 491 HD2 ARG 61 HD2 ARG 61 -6.265 -7.797 0.195 492 HD3 ARG 61 HD3 ARG 61 -6.841 -6.257 0.876 493 HE ARG 61 HE ARG 61 -8.868 -7.233 1.198 494 HH11 ARG 61 HH11 ARG 61 -7.237 -8.950 -1.398 495 HH12 ARG 61 HH12 ARG 61 -8.507 -10.140 -1.577 496 HH21 ARG 61 HH21 ARG 61 -10.509 -8.784 0.955 497 HH22 ARG 61 HH22 ARG 61 -10.358 -10.047 -0.246 498 H GLU 62 H GLU 62 -10.451 -6.304 -3.134 499 HA GLU 62 HA GLU 62 -9.336 -8.517 -4.562 500 HB2 GLU 62 HB2 GLU 62 -12.173 -7.484 -4.239 501 HB3 GLU 62 HB3 GLU 62 -11.803 -8.924 -5.178 502 HG2 GLU 62 HG2 GLU 62 -11.095 -8.553 -2.260 503 HG3 GLU 62 HG3 GLU 62 -12.541 -9.369 -2.848 504 H ILE 63 H ILE 63 -10.972 -5.545 -5.627 505 HA ILE 63 HA ILE 63 -11.081 -6.147 -8.395 506 HB ILE 63 HB ILE 63 -10.843 -3.508 -6.906 507 HG12 ILE 63 HG12 ILE 63 -13.183 -4.691 -8.405 508 HG13 ILE 63 HG13 ILE 63 -12.910 -4.949 -6.688 509 HG21 ILE 63 HG21 ILE 63 -11.431 -2.411 -9.031 510 HG22 ILE 63 HG22 ILE 63 -9.866 -3.245 -9.154 511 HG23 ILE 63 HG23 ILE 63 -11.319 -3.975 -9.873 512 HD11 ILE 63 HD11 ILE 63 -14.500 -3.148 -7.063 513 HD12 ILE 63 HD12 ILE 63 -13.018 -2.526 -6.295 514 HD13 ILE 63 HD13 ILE 63 -13.297 -2.265 -8.034 515 H TYR 64 H TYR 64 -8.520 -4.599 -6.456 516 HA TYR 64 HA TYR 64 -6.719 -4.116 -8.603 517 HB2 TYR 64 HB2 TYR 64 -6.347 -3.095 -6.436 518 HB3 TYR 64 HB3 TYR 64 -6.233 -4.665 -5.652 519 HD1 TYR 64 HD1 TYR 64 -4.601 -2.702 -8.396 520 HD2 TYR 64 HD2 TYR 64 -4.150 -5.547 -5.217 521 HE1 TYR 64 HE1 TYR 64 -2.153 -2.698 -8.740 522 HE2 TYR 64 HE2 TYR 64 -1.703 -5.544 -5.561 523 HH TYR 64 HH TYR 64 -0.218 -3.705 -8.198 524 H ASP 65 H ASP 65 -7.036 -6.939 -6.439 525 HA ASP 65 HA ASP 65 -4.732 -8.258 -7.576 526 HB2 ASP 65 HB2 ASP 65 -6.984 -9.187 -5.763 527 HB3 ASP 65 HB3 ASP 65 -5.718 -10.276 -6.315 528 H GLN 66 H GLN 66 -8.177 -8.265 -8.256 529 HA GLN 66 HA GLN 66 -7.991 -10.704 -9.882 530 HB2 GLN 66 HB2 GLN 66 -10.271 -8.788 -9.265 531 HB3 GLN 66 HB3 GLN 66 -10.438 -10.158 -10.354 532 HG2 GLN 66 HG2 GLN 66 -9.820 -11.685 -8.516 533 HG3 GLN 66 HG3 GLN 66 -9.722 -10.279 -7.417 534 HE21 GLN 66 HE21 GLN 66 -13.022 -11.026 -6.533 535 HE22 GLN 66 HE22 GLN 66 -11.357 -10.995 -6.054 536 H TYR 67 H TYR 67 -8.117 -7.215 -10.348 537 HA TYR 67 HA TYR 67 -8.276 -7.682 -13.298 538 HB2 TYR 67 HB2 TYR 67 -9.400 -5.324 -11.731 539 HB3 TYR 67 HB3 TYR 67 -9.505 -5.556 -13.472 540 HD1 TYR 67 HD1 TYR 67 -10.658 -7.772 -14.271 541 HD2 TYR 67 HD2 TYR 67 -11.131 -6.038 -10.374 542 HE1 TYR 67 HE1 TYR 67 -12.783 -9.001 -13.981 543 HE2 TYR 67 HE2 TYR 67 -13.255 -7.269 -10.083 544 HH TYR 67 HH TYR 67 -14.669 -8.730 -10.966 545 H GLY 68 H GLY 68 -7.137 -5.428 -10.772 546 HA2 GLY 68 HA2 GLY 68 -4.587 -5.163 -10.982 547 HA3 GLY 68 HA3 GLY 68 -4.914 -4.658 -12.628 548 H LEU 69 H LEU 69 -3.578 -2.842 -11.370 549 HA LEU 69 HA LEU 69 -4.929 -1.126 -9.553 550 HB2 LEU 69 HB2 LEU 69 -2.501 -1.079 -9.886 551 HB3 LEU 69 HB3 LEU 69 -2.717 -0.516 -11.547 552 HG LEU 69 HG LEU 69 -3.686 1.601 -10.693 553 HD11 LEU 69 HD11 LEU 69 -3.554 2.096 -8.292 554 HD12 LEU 69 HD12 LEU 69 -4.641 0.727 -8.621 555 HD13 LEU 69 HD13 LEU 69 -3.009 0.432 -7.978 556 HD21 LEU 69 HD21 LEU 69 -1.570 2.494 -9.777 557 HD22 LEU 69 HD22 LEU 69 -0.995 0.834 -9.484 558 HD23 LEU 69 HD23 LEU 69 -1.264 1.401 -11.150 559 H GLU 70 H GLU 70 -4.623 -1.007 -13.105 560 HA GLU 70 HA GLU 70 -5.880 1.422 -13.625 561 HB2 GLU 70 HB2 GLU 70 -4.889 -0.039 -15.365 562 HB3 GLU 70 HB3 GLU 70 -6.205 -1.188 -15.162 563 HG2 GLU 70 HG2 GLU 70 -7.812 0.502 -15.931 564 HG3 GLU 70 HG3 GLU 70 -6.506 1.671 -16.112 565 H ALA 71 H ALA 71 -7.459 -1.757 -13.177 566 HA ALA 71 HA ALA 71 -10.122 -0.735 -13.384 567 HB1 ALA 71 HB1 ALA 71 -10.788 -2.874 -12.334 568 HB2 ALA 71 HB2 ALA 71 -9.603 -3.121 -13.639 569 HB3 ALA 71 HB3 ALA 71 -9.086 -3.201 -11.939 570 H ALA 72 H ALA 72 -7.973 -1.282 -10.604 571 HA ALA 72 HA ALA 72 -9.881 -0.719 -8.585 572 HB1 ALA 72 HB1 ALA 72 -7.923 -0.278 -7.138 573 HB2 ALA 72 HB2 ALA 72 -7.703 -1.751 -8.113 574 HB3 ALA 72 HB3 ALA 72 -6.878 -0.245 -8.577 575 H ARG 73 H ARG 73 -7.818 1.417 -10.505 576 HA ARG 73 HA ARG 73 -8.517 3.802 -9.019 577 HB2 ARG 73 HB2 ARG 73 -7.273 3.331 -11.740 578 HB3 ARG 73 HB3 ARG 73 -7.619 4.944 -11.135 579 HG2 ARG 73 HG2 ARG 73 -6.134 4.555 -9.216 580 HG3 ARG 73 HG3 ARG 73 -5.784 2.920 -9.827 581 HD2 ARG 73 HD2 ARG 73 -4.712 3.759 -11.734 582 HD3 ARG 73 HD3 ARG 73 -5.323 5.404 -11.446 583 HE ARG 73 HE ARG 73 -3.835 4.725 -9.195 584 HH11 ARG 73 HH11 ARG 73 -3.270 5.087 -12.643 585 HH12 ARG 73 HH12 ARG 73 -1.601 5.570 -12.446 586 HH21 ARG 73 HH21 ARG 73 -1.666 5.351 -8.952 587 HH22 ARG 73 HH22 ARG 73 -0.691 5.720 -10.357 588 H SER 74 H SER 74 -9.794 2.136 -11.863 589 HA SER 74 HA SER 74 -11.658 4.272 -12.524 590 HB2 SER 74 HB2 SER 74 -12.493 2.778 -14.192 591 HB3 SER 74 HB3 SER 74 -10.746 2.605 -14.168 592 HG SER 74 HG SER 74 -11.458 0.909 -12.460 593 H GLY 75 H GLY 75 -11.592 1.640 -10.297 594 HA2 GLY 75 HA2 GLY 75 -13.233 1.717 -8.467 595 HA3 GLY 75 HA3 GLY 75 -14.457 2.195 -9.628 596 H GLY 76 H GLY 76 -12.722 0.028 -11.320 597 HA2 GLY 76 HA2 GLY 76 -12.687 -2.353 -11.434 598 HA3 GLY 76 HA3 GLY 76 -13.838 -2.435 -10.114 599 HA PRO 77 HA PRO 77 -15.941 -2.455 -14.387 600 HB2 PRO 77 HB2 PRO 77 -15.734 -5.048 -15.244 601 HB3 PRO 77 HB3 PRO 77 -14.509 -3.834 -15.633 602 HG2 PRO 77 HG2 PRO 77 -14.499 -5.914 -13.405 603 HG3 PRO 77 HG3 PRO 77 -13.209 -5.530 -14.549 604 HD2 PRO 77 HD2 PRO 77 -13.242 -4.479 -12.030 605 HD3 PRO 77 HD3 PRO 77 -12.606 -3.542 -13.442 606 H SER 78 H SER 78 -18.102 -3.070 -14.528 607 HA SER 78 HA SER 78 -20.152 -3.721 -13.711 608 HB2 SER 78 HB2 SER 78 -19.145 -5.978 -14.222 609 HB3 SER 78 HB3 SER 78 -18.655 -6.084 -12.537 610 HG SER 78 HG SER 78 -20.864 -6.834 -13.477 611 H PHE 79 H PHE 79 -20.736 -5.225 -11.322 612 HA PHE 79 HA PHE 79 -20.604 -2.924 -9.497 613 HB2 PHE 79 HB3 PHE 79 -22.051 -5.597 -9.313 614 HB3 PHE 79 HB2 PHE 79 -22.166 -4.327 -8.103 615 HD1 PHE 79 HD1 PHE 79 -23.153 -5.400 -11.449 616 HD2 PHE 79 HD2 PHE 79 -23.329 -2.231 -8.589 617 HE1 PHE 79 HE1 PHE 79 -24.998 -4.356 -12.723 618 HE2 PHE 79 HE2 PHE 79 -25.176 -1.185 -9.858 619 HZ PHE 79 HZ PHE 79 -26.008 -2.248 -11.926 620 H GLY 80 H GLY 80 -18.264 -3.124 -9.171 621 HA2 GLY 80 HA2 GLY 80 -16.772 -3.385 -7.356 622 HA3 GLY 80 HA3 GLY 80 -17.817 -4.615 -6.670 623 HA PRO 81 HA PRO 81 -14.230 -6.774 -8.457 624 HB2 PRO 81 HB2 PRO 81 -13.893 -8.586 -6.420 625 HB3 PRO 81 HB3 PRO 81 -13.268 -6.934 -6.328 626 HG2 PRO 81 HG2 PRO 81 -15.860 -8.064 -5.187 627 HG3 PRO 81 HG3 PRO 81 -14.657 -7.053 -4.380 628 HD2 PRO 81 HD2 PRO 81 -16.917 -5.975 -5.450 629 HD3 PRO 81 HD3 PRO 81 -15.343 -5.085 -5.484 Start of MODEL 7 1 HA SER 1 HA SER 1 -5.213 -15.729 -5.702 2 HB2 SER 1 HB2 SER 1 -3.991 -16.080 -7.738 3 HB3 SER 1 HB3 SER 1 -5.493 -16.984 -7.851 4 HG SER 1 HG SER 1 -5.265 -14.361 -8.804 5 H VAL 2 H VAL 2 -3.204 -14.426 -6.704 6 HA VAL 2 HA VAL 2 -4.015 -11.556 -6.511 7 HB VAL 2 HB VAL 2 -1.356 -12.848 -5.765 8 HG11 VAL 2 HG11 VAL 2 -0.835 -10.677 -4.765 9 HG12 VAL 2 HG12 VAL 2 -1.098 -10.556 -6.521 10 HG13 VAL 2 HG13 VAL 2 -2.366 -10.022 -5.391 11 HG21 VAL 2 HG21 VAL 2 -2.053 -12.382 -3.437 12 HG22 VAL 2 HG22 VAL 2 -3.623 -11.785 -4.029 13 HG23 VAL 2 HG23 VAL 2 -3.185 -13.497 -4.236 14 H LYS 3 H LYS 3 -4.102 -10.754 -8.511 15 HA LYS 3 HA LYS 3 -2.469 -11.780 -10.667 16 HB2 LYS 3 HB2 LYS 3 -4.734 -10.851 -11.040 17 HB3 LYS 3 HB3 LYS 3 -4.182 -9.268 -10.512 18 HG2 LYS 3 HG2 LYS 3 -2.658 -9.125 -12.420 19 HG3 LYS 3 HG3 LYS 3 -3.121 -10.754 -12.934 20 HD2 LYS 3 HD2 LYS 3 -5.437 -10.019 -13.277 21 HD3 LYS 3 HD3 LYS 3 -5.033 -8.402 -12.681 22 HE2 LYS 3 HE2 LYS 3 -3.443 -8.107 -14.550 23 HE3 LYS 3 HE3 LYS 3 -3.831 -9.723 -15.144 24 HZ1 LYS 3 HZ1 LYS 3 -5.052 -8.038 -16.310 25 HZ2 LYS 3 HZ2 LYS 3 -6.096 -8.998 -15.465 26 HZ3 LYS 3 HZ3 LYS 3 -5.732 -7.487 -14.912 27 H GLU 4 H GLU 4 -2.608 -8.528 -9.161 28 HA GLU 4 HA GLU 4 0.214 -8.148 -10.061 29 HB2 GLU 4 HB2 GLU 4 -1.960 -6.105 -9.449 30 HB3 GLU 4 HB3 GLU 4 -0.291 -5.695 -9.819 31 HG2 GLU 4 HG2 GLU 4 -0.526 -6.741 -12.038 32 HG3 GLU 4 HG3 GLU 4 -2.201 -7.143 -11.667 33 H THR 5 H THR 5 1.737 -7.249 -8.682 34 HA THR 5 HA THR 5 0.979 -7.379 -5.792 35 HB THR 5 HB THR 5 3.302 -8.083 -5.320 36 HG1 THR 5 HG1 THR 5 4.608 -7.436 -6.891 37 HG21 THR 5 HG21 THR 5 3.186 -10.339 -6.304 38 HG22 THR 5 HG22 THR 5 1.586 -9.815 -5.726 39 HG23 THR 5 HG23 THR 5 1.963 -9.776 -7.464 40 H LYS 6 H LYS 6 1.439 -5.205 -8.089 41 HA LYS 6 HA LYS 6 3.706 -3.686 -7.438 42 HB2 LYS 6 HB2 LYS 6 2.313 -3.309 -9.450 43 HB3 LYS 6 HB3 LYS 6 1.010 -2.693 -8.445 44 HG2 LYS 6 HG2 LYS 6 2.393 -0.798 -7.753 45 HG3 LYS 6 HG3 LYS 6 3.758 -1.432 -8.682 46 HD2 LYS 6 HD2 LYS 6 2.441 -1.230 -10.764 47 HD3 LYS 6 HD3 LYS 6 1.069 -0.607 -9.837 48 HE2 LYS 6 HE2 LYS 6 2.398 1.332 -9.125 49 HE3 LYS 6 HE3 LYS 6 3.810 0.700 -9.975 50 HZ1 LYS 6 HZ1 LYS 6 2.674 2.357 -11.261 51 HZ2 LYS 6 HZ2 LYS 6 2.590 0.901 -12.032 52 HZ3 LYS 6 HZ3 LYS 6 1.271 1.492 -11.238 53 H LEU 7 H LEU 7 0.375 -3.302 -6.192 54 HA LEU 7 HA LEU 7 1.070 -1.069 -4.515 55 HB2 LEU 7 HB2 LEU 7 -1.289 -2.983 -4.421 56 HB3 LEU 7 HB3 LEU 7 -1.160 -1.502 -3.469 57 HG LEU 7 HG LEU 7 -1.350 -1.697 -6.494 58 HD11 LEU 7 HD11 LEU 7 -3.502 -0.573 -6.139 59 HD12 LEU 7 HD12 LEU 7 -3.438 -2.148 -5.312 60 HD13 LEU 7 HD13 LEU 7 -3.248 -0.643 -4.379 61 HD21 LEU 7 HD21 LEU 7 -1.402 0.774 -6.415 62 HD22 LEU 7 HD22 LEU 7 -1.119 0.724 -4.658 63 HD23 LEU 7 HD23 LEU 7 0.137 0.145 -5.779 64 H TYR 8 H TYR 8 0.920 -4.565 -4.026 65 HA TYR 8 HA TYR 8 1.327 -4.473 -1.175 66 HB2 TYR 8 HB2 TYR 8 1.897 -6.650 -3.226 67 HB3 TYR 8 HB3 TYR 8 2.043 -6.873 -1.488 68 HD1 TYR 8 HD1 TYR 8 -0.139 -6.997 -4.298 69 HD2 TYR 8 HD2 TYR 8 -0.054 -6.403 -0.049 70 HE1 TYR 8 HE1 TYR 8 -2.539 -7.573 -4.169 71 HE2 TYR 8 HE2 TYR 8 -2.454 -6.981 0.080 72 HH TYR 8 HH TYR 8 -4.305 -7.812 -2.842 73 H ASP 9 H ASP 9 3.477 -4.436 -3.965 74 HA ASP 9 HA ASP 9 5.886 -4.832 -2.397 75 HB2 ASP 9 HB2 ASP 9 5.420 -3.788 -5.217 76 HB3 ASP 9 HB3 ASP 9 7.018 -4.007 -4.517 77 H LEU 10 H LEU 10 4.053 -2.041 -3.565 78 HA LEU 10 HA LEU 10 5.907 -0.026 -2.774 79 HB2 LEU 10 HB2 LEU 10 2.883 -0.049 -2.992 80 HB3 LEU 10 HB3 LEU 10 3.801 1.402 -2.580 81 HG LEU 10 HG LEU 10 4.139 -0.166 -5.160 82 HD11 LEU 10 HD11 LEU 10 2.894 1.683 -6.191 83 HD12 LEU 10 HD12 LEU 10 1.907 0.809 -4.997 84 HD13 LEU 10 HD13 LEU 10 2.612 2.389 -4.583 85 HD21 LEU 10 HD21 LEU 10 5.377 1.855 -5.860 86 HD22 LEU 10 HD22 LEU 10 5.130 2.566 -4.247 87 HD23 LEU 10 HD23 LEU 10 6.131 1.105 -4.432 88 H LEU 11 H LEU 11 3.309 -1.695 -1.003 89 HA LEU 11 HA LEU 11 3.808 -0.197 1.442 90 HB2 LEU 11 HB2 LEU 11 2.228 -2.731 0.887 91 HB3 LEU 11 HB3 LEU 11 2.283 -1.917 2.454 92 HG LEU 11 HG LEU 11 1.161 -0.753 -0.120 93 HD11 LEU 11 HD11 LEU 11 -0.994 -0.972 1.035 94 HD12 LEU 11 HD12 LEU 11 -0.203 -2.551 0.811 95 HD13 LEU 11 HD13 LEU 11 -0.180 -1.762 2.406 96 HD21 LEU 11 HD21 LEU 11 0.409 1.086 1.352 97 HD22 LEU 11 HD22 LEU 11 1.243 0.326 2.728 98 HD23 LEU 11 HD23 LEU 11 2.182 0.952 1.353 99 H GLY 12 H GLY 12 4.932 -3.186 0.000 100 HA2 GLY 12 HA2 GLY 12 6.838 -4.421 0.599 101 HA3 GLY 12 HA3 GLY 12 7.048 -3.401 2.010 102 H VAL 13 H VAL 13 4.208 -5.313 0.981 103 HA VAL 13 HA VAL 13 4.542 -7.067 3.347 104 HB VAL 13 HB VAL 13 3.192 -5.128 4.119 105 HG11 VAL 13 HG11 VAL 13 0.970 -4.721 3.181 106 HG12 VAL 13 HG12 VAL 13 2.259 -4.446 1.985 107 HG13 VAL 13 HG13 VAL 13 1.284 -5.934 1.916 108 HG21 VAL 13 HG21 VAL 13 1.262 -6.430 4.956 109 HG22 VAL 13 HG22 VAL 13 1.592 -7.694 3.745 110 HG23 VAL 13 HG23 VAL 13 2.764 -7.378 5.046 111 H SER 14 H SER 14 3.701 -9.077 3.115 112 HA SER 14 HA SER 14 3.170 -10.007 0.467 113 HB2 SER 14 HB2 SER 14 4.112 -11.482 2.134 114 HB3 SER 14 HB3 SER 14 2.720 -11.273 3.184 115 HG SER 14 HG SER 14 3.063 -12.818 0.968 116 HA PRO 15 HA PRO 15 -1.100 -9.200 0.094 117 HB2 PRO 15 HB2 PRO 15 -1.736 -10.968 -1.912 118 HB3 PRO 15 HB3 PRO 15 -0.784 -9.507 -2.207 119 HG2 PRO 15 HG2 PRO 15 0.186 -12.359 -1.739 120 HG3 PRO 15 HG3 PRO 15 0.677 -11.231 -3.007 121 HD2 PRO 15 HD2 PRO 15 2.170 -11.550 -0.755 122 HD3 PRO 15 HD3 PRO 15 2.005 -9.932 -1.550 123 H SER 16 H SER 16 0.257 -12.194 1.090 124 HA SER 16 HA SER 16 -2.255 -13.542 1.682 125 HB2 SER 16 HB2 SER 16 -0.891 -15.149 2.845 126 HB3 SER 16 HB3 SER 16 -0.085 -14.727 1.342 127 HG SER 16 HG SER 16 1.269 -13.401 2.443 128 H ALA 17 H ALA 17 -0.591 -10.920 3.036 129 HA ALA 17 HA ALA 17 -1.300 -11.357 5.803 130 HB1 ALA 17 HB1 ALA 17 -0.705 -8.972 6.085 131 HB2 ALA 17 HB2 ALA 17 0.537 -9.858 5.168 132 HB3 ALA 17 HB3 ALA 17 -0.608 -8.796 4.318 133 H ASN 18 H ASN 18 -2.914 -10.423 7.041 134 HA ASN 18 HA ASN 18 -5.415 -9.979 5.570 135 HB2 ASN 18 HB2 ASN 18 -6.481 -10.033 7.732 136 HB3 ASN 18 HB3 ASN 18 -5.330 -11.358 7.639 137 HD21 ASN 18 HD21 ASN 18 -4.271 -10.354 10.801 138 HD22 ASN 18 HD22 ASN 18 -5.097 -11.539 9.844 139 H GLU 19 H GLU 19 -6.857 -8.220 6.925 140 HA GLU 19 HA GLU 19 -6.031 -5.856 5.579 141 HB2 GLU 19 HB2 GLU 19 -8.140 -6.319 7.722 142 HB3 GLU 19 HB3 GLU 19 -7.929 -4.783 6.894 143 HG2 GLU 19 HG2 GLU 19 -8.459 -5.802 4.759 144 HG3 GLU 19 HG3 GLU 19 -8.532 -7.399 5.500 145 H GLN 20 H GLN 20 -5.857 -6.800 9.000 146 HA GLN 20 HA GLN 20 -4.985 -4.222 9.929 147 HB2 GLN 20 HB2 GLN 20 -4.759 -7.007 11.133 148 HB3 GLN 20 HB3 GLN 20 -4.246 -5.550 11.971 149 HG2 GLN 20 HG2 GLN 20 -6.516 -4.668 11.906 150 HG3 GLN 20 HG3 GLN 20 -7.054 -6.105 10.991 151 HE21 GLN 20 HE21 GLN 20 -7.831 -6.479 14.646 152 HE22 GLN 20 HE22 GLN 20 -8.166 -5.257 13.464 153 H GLU 21 H GLU 21 -3.281 -7.156 8.891 154 HA GLU 21 HA GLU 21 -0.667 -6.167 9.629 155 HB2 GLU 21 HB2 GLU 21 -1.560 -8.394 7.759 156 HB3 GLU 21 HB3 GLU 21 0.125 -8.055 8.127 157 HG2 GLU 21 HG2 GLU 21 -2.001 -8.853 10.127 158 HG3 GLU 21 HG3 GLU 21 -0.753 -9.902 9.457 159 H LEU 22 H LEU 22 -2.632 -6.084 6.688 160 HA LEU 22 HA LEU 22 -0.655 -4.927 4.980 161 HB2 LEU 22 HB2 LEU 22 -3.684 -4.715 5.017 162 HB3 LEU 22 HB3 LEU 22 -2.677 -4.027 3.738 163 HG LEU 22 HG LEU 22 -2.780 -6.981 4.443 164 HD11 LEU 22 HD11 LEU 22 -4.112 -7.198 2.392 165 HD12 LEU 22 HD12 LEU 22 -4.931 -6.186 3.605 166 HD13 LEU 22 HD13 LEU 22 -4.124 -5.429 2.212 167 HD21 LEU 22 HD21 LEU 22 -1.604 -7.220 2.282 168 HD22 LEU 22 HD22 LEU 22 -1.580 -5.450 2.099 169 HD23 LEU 22 HD23 LEU 22 -0.664 -6.220 3.415 170 H LYS 23 H LYS 23 -3.007 -3.496 7.235 171 HA LYS 23 HA LYS 23 -2.385 -0.769 6.695 172 HB2 LYS 23 HB2 LYS 23 -4.346 -1.493 8.023 173 HB3 LYS 23 HB3 LYS 23 -3.282 -2.064 9.301 174 HG2 LYS 23 HG2 LYS 23 -2.513 0.211 9.735 175 HG3 LYS 23 HG3 LYS 23 -3.481 0.820 8.385 176 HD2 LYS 23 HD2 LYS 23 -5.543 0.049 9.510 177 HD3 LYS 23 HD3 LYS 23 -4.579 -0.569 10.858 178 HE2 LYS 23 HE2 LYS 23 -3.753 1.717 11.316 179 HE3 LYS 23 HE3 LYS 23 -4.711 2.337 9.969 180 HZ1 LYS 23 HZ1 LYS 23 -5.825 2.640 12.057 181 HZ2 LYS 23 HZ2 LYS 23 -6.688 1.600 11.112 182 HZ3 LYS 23 HZ3 LYS 23 -5.794 1.022 12.371 183 H LYS 24 H LYS 24 -0.964 -3.099 8.985 184 HA LYS 24 HA LYS 24 0.882 -1.339 10.210 185 HB2 LYS 24 HB2 LYS 24 1.037 -4.318 9.626 186 HB3 LYS 24 HB3 LYS 24 2.251 -3.463 10.567 187 HG2 LYS 24 HG2 LYS 24 0.560 -2.839 12.231 188 HG3 LYS 24 HG3 LYS 24 -0.692 -3.641 11.272 189 HD2 LYS 24 HD2 LYS 24 0.565 -5.792 11.500 190 HD3 LYS 24 HD3 LYS 24 1.727 -4.967 12.548 191 HE2 LYS 24 HE2 LYS 24 -0.058 -4.435 14.150 192 HE3 LYS 24 HE3 LYS 24 -1.255 -5.188 13.094 193 HZ1 LYS 24 HZ1 LYS 24 -0.567 -6.662 14.837 194 HZ2 LYS 24 HZ2 LYS 24 -0.108 -7.276 13.376 195 HZ3 LYS 24 HZ3 LYS 24 1.010 -6.574 14.364 196 H GLY 25 H GLY 25 1.157 -3.248 7.220 197 HA2 GLY 25 HA2 GLY 25 3.830 -2.617 6.546 198 HA3 GLY 25 HA3 GLY 25 2.557 -2.971 5.392 199 H TYR 26 H TYR 26 0.787 -0.882 5.787 200 HA TYR 26 HA TYR 26 1.992 1.271 4.366 201 HB2 TYR 26 HB2 TYR 26 -0.404 0.889 4.243 202 HB3 TYR 26 HB3 TYR 26 -0.584 1.120 5.976 203 HD1 TYR 26 HD1 TYR 26 0.853 2.984 3.050 204 HD2 TYR 26 HD2 TYR 26 -1.448 3.126 6.669 205 HE1 TYR 26 HE1 TYR 26 0.433 5.391 2.688 206 HE2 TYR 26 HE2 TYR 26 -1.868 5.535 6.306 207 HH TYR 26 HH TYR 26 -0.768 7.173 3.370 208 H ARG 27 H ARG 27 1.177 0.914 7.820 209 HA ARG 27 HA ARG 27 1.835 3.543 8.613 210 HB2 ARG 27 HB2 ARG 27 1.986 0.913 10.114 211 HB3 ARG 27 HB3 ARG 27 2.277 2.469 10.878 212 HG2 ARG 27 HG2 ARG 27 0.011 3.187 10.389 213 HG3 ARG 27 HG3 ARG 27 -0.298 1.683 9.488 214 HD2 ARG 27 HD2 ARG 27 -1.242 1.487 11.657 215 HD3 ARG 27 HD3 ARG 27 0.180 0.423 11.561 216 HE ARG 27 HE ARG 27 0.835 3.016 12.619 217 HH11 ARG 27 HH11 ARG 27 -0.550 -0.107 13.434 218 HH12 ARG 27 HH12 ARG 27 -0.139 0.013 15.130 219 HH21 ARG 27 HH21 ARG 27 1.363 3.160 14.823 220 HH22 ARG 27 HH22 ARG 27 0.943 1.863 15.917 221 H LYS 28 H LYS 28 3.880 0.639 8.339 222 HA LYS 28 HA LYS 28 6.260 1.864 9.358 223 HB2 LYS 28 HB2 LYS 28 5.818 -0.503 7.503 224 HB3 LYS 28 HB3 LYS 28 7.408 -0.019 8.075 225 HG2 LYS 28 HG2 LYS 28 6.714 -0.399 10.400 226 HG3 LYS 28 HG3 LYS 28 5.093 -0.847 9.849 227 HD2 LYS 28 HD2 LYS 28 6.064 -2.721 8.542 228 HD3 LYS 28 HD3 LYS 28 7.677 -2.280 9.122 229 HE2 LYS 28 HE2 LYS 28 6.958 -2.686 11.449 230 HE3 LYS 28 HE3 LYS 28 5.341 -3.107 10.885 231 HZ1 LYS 28 HZ1 LYS 28 6.670 -5.048 11.275 232 HZ2 LYS 28 HZ2 LYS 28 6.303 -4.939 9.672 233 HZ3 LYS 28 HZ3 LYS 28 7.815 -4.547 10.201 234 H ALA 29 H ALA 29 5.058 1.402 6.029 235 HA ALA 29 HA ALA 29 7.291 2.736 4.811 236 HB1 ALA 29 HB1 ALA 29 5.865 2.792 2.791 237 HB2 ALA 29 HB2 ALA 29 5.857 1.186 3.560 238 HB3 ALA 29 HB3 ALA 29 4.471 2.280 3.771 239 H ALA 30 H ALA 30 4.212 3.829 6.111 240 HA ALA 30 HA ALA 30 4.192 6.409 4.910 241 HB1 ALA 30 HB1 ALA 30 2.626 7.012 6.728 242 HB2 ALA 30 HB2 ALA 30 2.218 5.440 6.000 243 HB3 ALA 30 HB3 ALA 30 3.042 5.504 7.574 244 H LEU 31 H LEU 31 5.588 5.238 7.966 245 HA LEU 31 HA LEU 31 6.686 7.816 8.686 246 HB2 LEU 31 HB2 LEU 31 7.362 4.987 9.557 247 HB3 LEU 31 HB3 LEU 31 8.105 6.431 10.251 248 HG LEU 31 HG LEU 31 5.135 5.797 10.345 249 HD11 LEU 31 HD11 LEU 31 5.553 5.281 12.708 250 HD12 LEU 31 HD12 LEU 31 6.448 4.186 11.628 251 HD13 LEU 31 HD13 LEU 31 7.298 5.517 12.449 252 HD21 LEU 31 HD21 LEU 31 5.101 7.643 11.988 253 HD22 LEU 31 HD22 LEU 31 6.840 7.913 11.721 254 HD23 LEU 31 HD23 LEU 31 5.680 8.209 10.402 255 H LYS 32 H LYS 32 7.885 4.969 6.941 256 HA LYS 32 HA LYS 32 10.610 5.724 6.783 257 HB2 LYS 32 HB2 LYS 32 9.744 3.485 6.149 258 HB3 LYS 32 HB3 LYS 32 8.942 4.188 4.751 259 HG2 LYS 32 HG2 LYS 32 11.089 4.791 3.767 260 HG3 LYS 32 HG3 LYS 32 11.939 4.213 5.207 261 HD2 LYS 32 HD2 LYS 32 11.075 1.930 4.803 262 HD3 LYS 32 HD3 LYS 32 10.218 2.509 3.367 263 HE2 LYS 32 HE2 LYS 32 12.363 3.157 2.335 264 HE3 LYS 32 HE3 LYS 32 13.230 2.610 3.773 265 HZ1 LYS 32 HZ1 LYS 32 13.250 0.959 2.052 266 HZ2 LYS 32 HZ2 LYS 32 12.411 0.394 3.354 267 HZ3 LYS 32 HZ3 LYS 32 11.603 0.904 2.011 268 H TYR 33 H TYR 33 7.844 6.592 4.733 269 HA TYR 33 HA TYR 33 9.670 8.382 3.190 270 HB2 TYR 33 HB2 TYR 33 6.959 7.269 2.364 271 HB3 TYR 33 HB3 TYR 33 8.019 8.263 1.373 272 HD1 TYR 33 HD1 TYR 33 10.480 7.300 1.075 273 HD2 TYR 33 HD2 TYR 33 7.017 4.984 2.102 274 HE1 TYR 33 HE1 TYR 33 11.590 5.262 0.222 275 HE2 TYR 33 HE2 TYR 33 8.126 2.947 1.249 276 HH TYR 33 HH TYR 33 9.879 2.162 0.070 277 H HIS 34 H HIS 34 8.298 8.872 5.817 278 HA HIS 34 HA HIS 34 5.939 10.375 5.575 279 HB2 HIS 34 HB2 HIS 34 7.205 9.623 7.703 280 HB3 HIS 34 HB3 HIS 34 8.143 11.099 7.520 281 HD2 HIS 34 HD2 HIS 34 4.816 9.958 9.005 282 HE1 HIS 34 HE1 HIS 34 4.690 14.214 8.829 283 HE2 HIS 34 HE2 HIS 34 3.569 12.117 9.750 284 HA PRO 35 HA PRO 35 6.917 13.764 3.104 285 HB2 PRO 35 HB2 PRO 35 4.877 15.132 4.913 286 HB3 PRO 35 HB3 PRO 35 4.995 15.174 3.150 287 HG2 PRO 35 HG2 PRO 35 3.189 13.560 4.243 288 HG3 PRO 35 HG3 PRO 35 4.162 12.954 2.901 289 HD2 PRO 35 HD2 PRO 35 4.468 12.439 5.879 290 HD3 PRO 35 HD3 PRO 35 4.674 11.293 4.493 291 H ASP 36 H ASP 36 6.747 14.076 6.635 292 HA ASP 36 HA ASP 36 8.251 16.623 6.559 293 HB2 ASP 36 HB2 ASP 36 6.969 15.081 8.848 294 HB3 ASP 36 HB3 ASP 36 7.856 16.586 9.051 295 H LYS 37 H LYS 37 9.082 13.496 6.329 296 HA LYS 37 HA LYS 37 11.325 13.511 8.220 297 HB2 LYS 37 HB2 LYS 37 10.118 11.409 7.577 298 HB3 LYS 37 HB3 LYS 37 10.716 11.593 5.936 299 HG2 LYS 37 HG2 LYS 37 13.018 11.340 6.698 300 HG3 LYS 37 HG3 LYS 37 12.478 11.272 8.381 301 HD2 LYS 37 HD2 LYS 37 11.161 9.230 7.865 302 HD3 LYS 37 HD3 LYS 37 11.745 9.290 6.195 303 HE2 LYS 37 HE2 LYS 37 14.069 9.053 6.991 304 HE3 LYS 37 HE3 LYS 37 13.503 9.018 8.663 305 HZ1 LYS 37 HZ1 LYS 37 13.891 6.823 7.815 306 HZ2 LYS 37 HZ2 LYS 37 12.286 7.015 8.145 307 HZ3 LYS 37 HZ3 LYS 37 12.818 7.047 6.584 308 HA PRO 38 HA PRO 38 14.050 15.882 5.805 309 HB2 PRO 38 HB2 PRO 38 16.067 14.024 7.142 310 HB3 PRO 38 HB3 PRO 38 16.141 15.780 6.945 311 HG2 PRO 38 HG2 PRO 38 15.402 14.818 9.309 312 HG3 PRO 38 HG3 PRO 38 14.503 16.177 8.630 313 HD2 PRO 38 HD2 PRO 38 13.766 13.229 8.693 314 HD3 PRO 38 HD3 PRO 38 12.710 14.677 8.945 315 H THR 39 H THR 39 14.418 12.338 6.037 316 HA THR 39 HA THR 39 15.358 12.327 3.200 317 HB THR 39 HB THR 39 16.369 10.096 3.712 318 HG1 THR 39 HG1 THR 39 16.595 9.785 6.125 319 HG21 THR 39 HG21 THR 39 18.246 10.947 5.061 320 HG22 THR 39 HG22 THR 39 17.739 12.147 3.850 321 HG23 THR 39 HG23 THR 39 17.265 12.347 5.552 322 H GLY 40 H GLY 40 12.608 12.515 3.977 323 HA2 GLY 40 HA2 GLY 40 11.482 9.830 3.482 324 HA3 GLY 40 HA3 GLY 40 10.578 11.300 3.793 325 H ASP 41 H ASP 41 9.264 10.503 1.961 326 HA ASP 41 HA ASP 41 10.153 11.735 -0.540 327 HB2 ASP 41 HB2 ASP 41 11.147 9.447 -0.674 328 HB3 ASP 41 HB3 ASP 41 9.546 8.751 -0.464 329 H THR 42 H THR 42 8.439 13.040 -0.705 330 HA THR 42 HA THR 42 5.837 12.388 0.261 331 HB THR 42 HB THR 42 6.679 14.498 -1.773 332 HG1 THR 42 HG1 THR 42 6.581 15.835 0.118 333 HG21 THR 42 HG21 THR 42 4.565 15.605 -1.164 334 HG22 THR 42 HG22 THR 42 4.261 14.005 -1.880 335 HG23 THR 42 HG23 THR 42 4.140 14.229 -0.119 336 H GLU 43 H GLU 43 7.251 12.256 -3.000 337 HA GLU 43 HA GLU 43 4.881 11.581 -4.400 338 HB2 GLU 43 HB2 GLU 43 7.000 12.235 -5.506 339 HB3 GLU 43 HB3 GLU 43 7.751 10.737 -4.973 340 HG2 GLU 43 HG2 GLU 43 6.196 9.439 -6.334 341 HG3 GLU 43 HG3 GLU 43 5.363 10.912 -6.822 342 H LYS 44 H LYS 44 7.364 9.464 -2.937 343 HA LYS 44 HA LYS 44 6.007 7.024 -3.599 344 HB2 LYS 44 HB2 LYS 44 8.431 7.183 -2.998 345 HB3 LYS 44 HB3 LYS 44 7.978 7.562 -1.342 346 HG2 LYS 44 HG2 LYS 44 8.597 5.230 -1.525 347 HG3 LYS 44 HG3 LYS 44 6.875 5.359 -1.141 348 HD2 LYS 44 HD2 LYS 44 7.181 3.664 -2.851 349 HD3 LYS 44 HD3 LYS 44 6.345 5.053 -3.562 350 HE2 LYS 44 HE2 LYS 44 8.464 5.861 -4.518 351 HE3 LYS 44 HE3 LYS 44 9.331 4.514 -3.775 352 HZ1 LYS 44 HZ1 LYS 44 8.823 4.082 -6.065 353 HZ2 LYS 44 HZ2 LYS 44 8.015 3.011 -5.106 354 HZ3 LYS 44 HZ3 LYS 44 7.207 4.270 -5.801 355 H PHE 45 H PHE 45 5.896 9.183 -0.794 356 HA PHE 45 HA PHE 45 4.299 7.591 0.908 357 HB2 PHE 45 HB3 PHE 45 5.353 9.757 1.550 358 HB3 PHE 45 HB2 PHE 45 4.201 10.611 0.537 359 HD1 PHE 45 HD1 PHE 45 2.018 11.101 1.298 360 HD2 PHE 45 HD2 PHE 45 4.530 8.478 3.547 361 HE1 PHE 45 HE1 PHE 45 0.431 11.206 3.190 362 HE2 PHE 45 HE2 PHE 45 2.943 8.578 5.440 363 HZ PHE 45 HZ PHE 45 0.893 9.944 5.261 364 H LYS 46 H LYS 46 3.359 9.790 -1.733 365 HA LYS 46 HA LYS 46 0.536 9.430 -1.422 366 HB2 LYS 46 HB2 LYS 46 2.241 10.209 -3.813 367 HB3 LYS 46 HB3 LYS 46 0.486 10.164 -3.866 368 HG2 LYS 46 HG2 LYS 46 0.370 11.862 -2.091 369 HG3 LYS 46 HG3 LYS 46 2.137 11.892 -1.999 370 HD2 LYS 46 HD2 LYS 46 2.254 12.626 -4.357 371 HD3 LYS 46 HD3 LYS 46 0.488 12.585 -4.459 372 HE2 LYS 46 HE2 LYS 46 0.338 14.305 -2.694 373 HE3 LYS 46 HE3 LYS 46 2.097 14.336 -2.564 374 HZ1 LYS 46 HZ1 LYS 46 1.284 16.108 -3.938 375 HZ2 LYS 46 HZ2 LYS 46 2.196 15.076 -4.845 376 HZ3 LYS 46 HZ3 LYS 46 0.551 15.048 -4.966 377 H GLU 47 H GLU 47 3.007 7.652 -3.235 378 HA GLU 47 HA GLU 47 1.194 6.028 -4.735 379 HB2 GLU 47 HB2 GLU 47 4.078 5.601 -3.866 380 HB3 GLU 47 HB3 GLU 47 3.216 4.472 -4.902 381 HG2 GLU 47 HG2 GLU 47 2.878 6.256 -6.566 382 HG3 GLU 47 HG3 GLU 47 3.746 7.384 -5.528 383 H ILE 48 H ILE 48 2.811 5.534 -1.597 384 HA ILE 48 HA ILE 48 1.688 2.880 -1.255 385 HB ILE 48 HB ILE 48 2.616 3.016 1.030 386 HG12 ILE 48 HG12 ILE 48 3.352 5.879 0.378 387 HG13 ILE 48 HG13 ILE 48 1.988 5.414 1.382 388 HG21 ILE 48 HG21 ILE 48 4.977 3.369 0.429 389 HG22 ILE 48 HG22 ILE 48 4.126 2.450 -0.834 390 HG23 ILE 48 HG23 ILE 48 4.477 4.177 -1.076 391 HD11 ILE 48 HD11 ILE 48 3.907 6.029 2.741 392 HD12 ILE 48 HD12 ILE 48 3.508 4.309 2.962 393 HD13 ILE 48 HD13 ILE 48 4.892 4.779 1.947 394 H SER 49 H SER 49 0.669 6.134 -0.547 395 HA SER 49 HA SER 49 -1.410 5.429 1.327 396 HB2 SER 49 HB2 SER 49 -1.040 7.813 -0.511 397 HB3 SER 49 HB3 SER 49 -2.341 7.678 0.661 398 HG SER 49 HG SER 49 0.414 7.860 1.058 399 H GLU 50 H GLU 50 -1.307 5.875 -2.211 400 HA GLU 50 HA GLU 50 -4.026 5.159 -2.701 401 HB2 GLU 50 HB2 GLU 50 -1.491 4.925 -4.351 402 HB3 GLU 50 HB3 GLU 50 -3.044 4.377 -4.963 403 HG2 GLU 50 HG2 GLU 50 -3.960 6.642 -4.688 404 HG3 GLU 50 HG3 GLU 50 -2.407 7.194 -4.060 405 H ALA 51 H ALA 51 -1.061 3.190 -2.464 406 HA ALA 51 HA ALA 51 -2.242 0.682 -3.003 407 HB1 ALA 51 HB1 ALA 51 -0.338 -0.271 -1.746 408 HB2 ALA 51 HB2 ALA 51 0.186 1.016 -2.858 409 HB3 ALA 51 HB3 ALA 51 0.048 1.348 -1.116 410 H PHE 52 H PHE 52 -1.859 2.400 0.101 411 HA PHE 52 HA PHE 52 -3.048 0.399 1.731 412 HB2 PHE 52 HB3 PHE 52 -1.819 2.248 2.718 413 HB3 PHE 52 HB2 PHE 52 -2.935 3.423 2.040 414 HD1 PHE 52 HD1 PHE 52 -2.935 0.429 4.281 415 HD2 PHE 52 HD2 PHE 52 -4.630 4.242 3.365 416 HE1 PHE 52 HE1 PHE 52 -4.307 0.309 6.334 417 HE2 PHE 52 HE2 PHE 52 -6.002 4.126 5.419 418 HZ PHE 52 HZ PHE 52 -5.841 2.159 6.903 419 H GLU 53 H GLU 53 -4.524 3.344 0.313 420 HA GLU 53 HA GLU 53 -7.121 2.924 1.308 421 HB2 GLU 53 HB2 GLU 53 -6.577 5.041 0.324 422 HB3 GLU 53 HB3 GLU 53 -6.123 4.303 -1.205 423 HG2 GLU 53 HG2 GLU 53 -8.233 5.384 -1.474 424 HG3 GLU 53 HG3 GLU 53 -8.484 3.642 -1.563 425 H ILE 54 H ILE 54 -5.697 1.841 -1.782 426 HA ILE 54 HA ILE 54 -8.120 0.647 -2.750 427 HB ILE 54 HB ILE 54 -5.199 0.230 -3.490 428 HG12 ILE 54 HG12 ILE 54 -7.411 1.587 -5.038 429 HG13 ILE 54 HG13 ILE 54 -6.343 2.443 -3.937 430 HG21 ILE 54 HG21 ILE 54 -6.030 -0.969 -5.474 431 HG22 ILE 54 HG22 ILE 54 -6.471 -1.826 -3.977 432 HG23 ILE 54 HG23 ILE 54 -7.692 -0.865 -4.845 433 HD11 ILE 54 HD11 ILE 54 -5.577 2.645 -6.235 434 HD12 ILE 54 HD12 ILE 54 -4.395 1.741 -5.259 435 HD13 ILE 54 HD13 ILE 54 -5.477 0.874 -6.375 436 H LEU 55 H LEU 55 -5.352 -0.610 -0.918 437 HA LEU 55 HA LEU 55 -6.413 -3.349 -1.086 438 HB2 LEU 55 HB2 LEU 55 -3.972 -2.215 0.325 439 HB3 LEU 55 HB3 LEU 55 -4.376 -3.931 0.220 440 HG LEU 55 HG LEU 55 -3.706 -2.130 -2.135 441 HD11 LEU 55 HD11 LEU 55 -1.636 -3.444 -2.220 442 HD12 LEU 55 HD12 LEU 55 -1.789 -2.560 -0.684 443 HD13 LEU 55 HD13 LEU 55 -2.122 -4.306 -0.741 444 HD21 LEU 55 HD21 LEU 55 -3.697 -4.253 -3.400 445 HD22 LEU 55 HD22 LEU 55 -4.213 -5.127 -1.939 446 HD23 LEU 55 HD23 LEU 55 -5.299 -3.936 -2.692 447 H ASN 56 H ASN 56 -6.832 -0.647 0.898 448 HA ASN 56 HA ASN 56 -7.427 -2.164 3.334 449 HB2 ASN 56 HB2 ASN 56 -6.597 0.178 3.411 450 HB3 ASN 56 HB3 ASN 56 -8.066 0.715 2.605 451 HD21 ASN 56 HD21 ASN 56 -9.749 1.109 5.584 452 HD22 ASN 56 HD22 ASN 56 -9.455 1.597 3.948 453 H ASP 57 H ASP 57 -9.418 -0.181 1.109 454 HA ASP 57 HA ASP 57 -11.914 -1.207 2.007 455 HB2 ASP 57 HB2 ASP 57 -11.630 0.836 0.593 456 HB3 ASP 57 HB3 ASP 57 -11.189 -0.187 -0.769 457 HA PRO 58 HA PRO 58 -11.485 -5.374 0.818 458 HB2 PRO 58 HB2 PRO 58 -14.527 -5.161 0.920 459 HB3 PRO 58 HB3 PRO 58 -13.486 -6.431 1.574 460 HG2 PRO 58 HG2 PRO 58 -14.427 -4.602 3.254 461 HG3 PRO 58 HG3 PRO 58 -12.731 -5.075 3.385 462 HD2 PRO 58 HD2 PRO 58 -13.940 -2.594 2.115 463 HD3 PRO 58 HD3 PRO 58 -12.434 -2.753 3.104 464 H GLN 59 H GLN 59 -14.000 -3.320 -0.697 465 HA GLN 59 HA GLN 59 -14.373 -4.989 -3.000 466 HB2 GLN 59 HB2 GLN 59 -16.031 -3.301 -2.236 467 HB3 GLN 59 HB3 GLN 59 -14.913 -2.013 -2.658 468 HG2 GLN 59 HG2 GLN 59 -15.027 -2.614 -5.003 469 HG3 GLN 59 HG3 GLN 59 -16.073 -4.008 -4.612 470 HE21 GLN 59 HE21 GLN 59 -18.439 -1.527 -5.756 471 HE22 GLN 59 HE22 GLN 59 -17.270 -2.647 -6.373 472 H LYS 60 H LYS 60 -12.516 -1.970 -2.519 473 HA LYS 60 HA LYS 60 -11.462 -1.863 -5.161 474 HB2 LYS 60 HB2 LYS 60 -10.396 -0.780 -2.527 475 HB3 LYS 60 HB3 LYS 60 -9.660 -0.429 -4.085 476 HG2 LYS 60 HG2 LYS 60 -11.756 0.626 -4.846 477 HG3 LYS 60 HG3 LYS 60 -12.498 0.273 -3.278 478 HD2 LYS 60 HD2 LYS 60 -10.709 1.625 -2.169 479 HD3 LYS 60 HD3 LYS 60 -10.071 2.037 -3.767 480 HE2 LYS 60 HE2 LYS 60 -12.250 3.068 -4.360 481 HE3 LYS 60 HE3 LYS 60 -12.862 2.682 -2.750 482 HZ1 LYS 60 HZ1 LYS 60 -12.085 4.933 -2.882 483 HZ2 LYS 60 HZ2 LYS 60 -11.147 4.081 -1.825 484 HZ3 LYS 60 HZ3 LYS 60 -10.575 4.442 -3.329 485 H ARG 61 H ARG 61 -10.286 -3.450 -2.213 486 HA ARG 61 HA ARG 61 -7.744 -4.232 -3.207 487 HB2 ARG 61 HB2 ARG 61 -8.367 -4.387 -0.835 488 HB3 ARG 61 HB3 ARG 61 -9.552 -5.632 -1.204 489 HG2 ARG 61 HG2 ARG 61 -7.673 -7.081 -2.026 490 HG3 ARG 61 HG3 ARG 61 -6.543 -5.846 -1.425 491 HD2 ARG 61 HD2 ARG 61 -6.915 -7.703 0.142 492 HD3 ARG 61 HD3 ARG 61 -7.358 -6.113 0.803 493 HE ARG 61 HE ARG 61 -9.496 -6.860 1.043 494 HH11 ARG 61 HH11 ARG 61 -7.893 -8.870 -1.350 495 HH12 ARG 61 HH12 ARG 61 -9.242 -9.969 -1.514 496 HH21 ARG 61 HH21 ARG 61 -11.242 -8.294 0.823 497 HH22 ARG 61 HH22 ARG 61 -11.139 -9.646 -0.285 498 H GLU 62 H GLU 62 -10.880 -5.951 -3.234 499 HA GLU 62 HA GLU 62 -9.914 -8.296 -4.536 500 HB2 GLU 62 HB2 GLU 62 -12.662 -7.023 -4.341 501 HB3 GLU 62 HB3 GLU 62 -12.395 -8.519 -5.224 502 HG2 GLU 62 HG2 GLU 62 -11.707 -8.124 -2.305 503 HG3 GLU 62 HG3 GLU 62 -13.224 -8.804 -2.891 504 H ILE 63 H ILE 63 -11.235 -5.249 -5.795 505 HA ILE 63 HA ILE 63 -11.308 -5.994 -8.538 506 HB ILE 63 HB ILE 63 -10.919 -3.299 -7.182 507 HG12 ILE 63 HG12 ILE 63 -13.310 -4.390 -8.673 508 HG13 ILE 63 HG13 ILE 63 -13.091 -4.579 -6.940 509 HG21 ILE 63 HG21 ILE 63 -11.382 -2.290 -9.380 510 HG22 ILE 63 HG22 ILE 63 -9.878 -3.240 -9.416 511 HG23 ILE 63 HG23 ILE 63 -11.368 -3.904 -10.127 512 HD11 ILE 63 HD11 ILE 63 -14.535 -2.688 -7.440 513 HD12 ILE 63 HD12 ILE 63 -13.028 -2.138 -6.667 514 HD13 ILE 63 HD13 ILE 63 -13.251 -1.946 -8.422 515 H TYR 64 H TYR 64 -8.717 -4.511 -6.583 516 HA TYR 64 HA TYR 64 -6.793 -4.359 -8.683 517 HB2 TYR 64 HB2 TYR 64 -6.474 -3.163 -6.579 518 HB3 TYR 64 HB3 TYR 64 -6.445 -4.671 -5.677 519 HD1 TYR 64 HD1 TYR 64 -4.644 -2.843 -8.392 520 HD2 TYR 64 HD2 TYR 64 -4.433 -5.746 -5.240 521 HE1 TYR 64 HE1 TYR 64 -2.191 -2.962 -8.666 522 HE2 TYR 64 HE2 TYR 64 -1.979 -5.866 -5.514 523 HH TYR 64 HH TYR 64 -0.325 -4.055 -8.074 524 H ASP 65 H ASP 65 -7.397 -6.903 -6.248 525 HA ASP 65 HA ASP 65 -5.218 -8.553 -7.050 526 HB2 ASP 65 HB2 ASP 65 -7.832 -9.198 -5.633 527 HB3 ASP 65 HB3 ASP 65 -6.563 -10.387 -5.890 528 H GLN 66 H GLN 66 -8.535 -8.273 -8.216 529 HA GLN 66 HA GLN 66 -8.305 -10.775 -9.750 530 HB2 GLN 66 HB2 GLN 66 -10.548 -8.745 -9.438 531 HB3 GLN 66 HB3 GLN 66 -10.659 -10.158 -10.477 532 HG2 GLN 66 HG2 GLN 66 -10.369 -11.633 -8.555 533 HG3 GLN 66 HG3 GLN 66 -10.201 -10.211 -7.487 534 HE21 GLN 66 HE21 GLN 66 -13.605 -10.520 -6.798 535 HE22 GLN 66 HE22 GLN 66 -11.976 -10.583 -6.210 536 H TYR 67 H TYR 67 -8.282 -7.285 -10.305 537 HA TYR 67 HA TYR 67 -8.228 -7.828 -13.245 538 HB2 TYR 67 HB2 TYR 67 -9.410 -5.420 -11.802 539 HB3 TYR 67 HB3 TYR 67 -9.370 -5.657 -13.544 540 HD1 TYR 67 HD1 TYR 67 -10.528 -7.808 -14.456 541 HD2 TYR 67 HD2 TYR 67 -11.241 -6.128 -10.573 542 HE1 TYR 67 HE1 TYR 67 -12.698 -8.986 -14.344 543 HE2 TYR 67 HE2 TYR 67 -13.411 -7.308 -10.461 544 HH TYR 67 HH TYR 67 -14.482 -9.442 -13.095 545 H GLY 68 H GLY 68 -7.200 -5.538 -10.704 546 HA2 GLY 68 HA2 GLY 68 -4.646 -5.365 -10.704 547 HA3 GLY 68 HA3 GLY 68 -4.801 -4.941 -12.398 548 H LEU 69 H LEU 69 -3.528 -3.056 -11.334 549 HA LEU 69 HA LEU 69 -4.857 -1.274 -9.542 550 HB2 LEU 69 HB2 LEU 69 -2.423 -1.309 -9.809 551 HB3 LEU 69 HB3 LEU 69 -2.574 -0.787 -11.489 552 HG LEU 69 HG LEU 69 -3.483 1.385 -10.732 553 HD11 LEU 69 HD11 LEU 69 -3.429 1.950 -8.344 554 HD12 LEU 69 HD12 LEU 69 -4.554 0.613 -8.678 555 HD13 LEU 69 HD13 LEU 69 -2.961 0.277 -7.959 556 HD21 LEU 69 HD21 LEU 69 -1.373 2.228 -9.757 557 HD22 LEU 69 HD22 LEU 69 -0.876 0.557 -9.391 558 HD23 LEU 69 HD23 LEU 69 -1.054 1.082 -11.083 559 H GLU 70 H GLU 70 -4.424 -1.193 -13.086 560 HA GLU 70 HA GLU 70 -5.583 1.280 -13.640 561 HB2 GLU 70 HB2 GLU 70 -4.537 -0.189 -15.341 562 HB3 GLU 70 HB3 GLU 70 -5.894 -1.301 -15.227 563 HG2 GLU 70 HG2 GLU 70 -7.409 0.441 -16.060 564 HG3 GLU 70 HG3 GLU 70 -6.065 1.577 -16.149 565 H ALA 71 H ALA 71 -7.255 -1.859 -13.270 566 HA ALA 71 HA ALA 71 -9.882 -0.796 -13.631 567 HB1 ALA 71 HB1 ALA 71 -10.641 -2.899 -12.573 568 HB2 ALA 71 HB2 ALA 71 -9.394 -3.195 -13.808 569 HB3 ALA 71 HB3 ALA 71 -8.968 -3.247 -12.082 570 H ALA 72 H ALA 72 -7.913 -1.355 -10.718 571 HA ALA 72 HA ALA 72 -9.910 -0.654 -8.831 572 HB1 ALA 72 HB1 ALA 72 -8.024 -0.265 -7.280 573 HB2 ALA 72 HB2 ALA 72 -7.818 -1.773 -8.203 574 HB3 ALA 72 HB3 ALA 72 -6.894 -0.322 -8.652 575 H ARG 73 H ARG 73 -7.645 1.329 -10.684 576 HA ARG 73 HA ARG 73 -8.260 3.789 -9.312 577 HB2 ARG 73 HB2 ARG 73 -7.061 3.188 -12.031 578 HB3 ARG 73 HB3 ARG 73 -7.292 4.826 -11.435 579 HG2 ARG 73 HG2 ARG 73 -5.835 4.301 -9.495 580 HG3 ARG 73 HG3 ARG 73 -5.553 2.685 -10.186 581 HD2 ARG 73 HD2 ARG 73 -4.618 3.694 -12.179 582 HD3 ARG 73 HD3 ARG 73 -4.915 5.314 -11.504 583 HE ARG 73 HE ARG 73 -2.776 3.482 -10.830 584 HH11 ARG 73 HH11 ARG 73 -4.712 6.191 -9.710 585 HH12 ARG 73 HH12 ARG 73 -3.501 6.751 -8.579 586 HH21 ARG 73 HH21 ARG 73 -1.212 4.219 -9.357 587 HH22 ARG 73 HH22 ARG 73 -1.520 5.635 -8.378 588 H SER 74 H SER 74 -9.550 2.156 -12.188 589 HA SER 74 HA SER 74 -11.334 4.344 -12.870 590 HB2 SER 74 HB2 SER 74 -12.210 2.862 -14.537 591 HB3 SER 74 HB3 SER 74 -10.468 2.647 -14.499 592 HG SER 74 HG SER 74 -11.189 0.969 -12.807 593 H GLY 75 H GLY 75 -11.411 1.698 -10.651 594 HA2 GLY 75 HA2 GLY 75 -13.071 1.810 -8.846 595 HA3 GLY 75 HA3 GLY 75 -14.253 2.379 -10.009 596 H GLY 76 H GLY 76 -12.593 0.152 -11.714 597 HA2 GLY 76 HA2 GLY 76 -12.777 -2.152 -12.096 598 HA3 GLY 76 HA3 GLY 76 -13.632 -2.325 -10.575 599 HA PRO 77 HA PRO 77 -16.630 -2.589 -14.123 600 HB2 PRO 77 HB2 PRO 77 -17.378 -5.211 -13.873 601 HB3 PRO 77 HB3 PRO 77 -15.950 -4.731 -14.797 602 HG2 PRO 77 HG2 PRO 77 -16.116 -5.738 -11.926 603 HG3 PRO 77 HG3 PRO 77 -15.027 -6.272 -13.209 604 HD2 PRO 77 HD2 PRO 77 -14.241 -4.449 -11.334 605 HD3 PRO 77 HD3 PRO 77 -13.649 -4.369 -13.043 606 H SER 78 H SER 78 -16.512 -3.363 -10.745 607 HA SER 78 HA SER 78 -19.426 -3.544 -10.428 608 HB2 SER 78 HB2 SER 78 -18.964 -3.869 -8.092 609 HB3 SER 78 HB3 SER 78 -17.832 -4.846 -9.013 610 HG SER 78 HG SER 78 -16.825 -2.421 -8.688 611 H PHE 79 H PHE 79 -20.402 -2.168 -8.612 612 HA PHE 79 HA PHE 79 -19.604 0.666 -9.120 613 HB2 PHE 79 HB3 PHE 79 -22.338 -0.511 -8.488 614 HB3 PHE 79 HB2 PHE 79 -21.997 1.209 -8.593 615 HD1 PHE 79 HD1 PHE 79 -22.372 -1.909 -10.478 616 HD2 PHE 79 HD2 PHE 79 -21.583 2.281 -10.727 617 HE1 PHE 79 HE1 PHE 79 -22.789 -1.978 -12.914 618 HE2 PHE 79 HE2 PHE 79 -22.002 2.218 -13.163 619 HZ PHE 79 HZ PHE 79 -22.603 0.087 -14.257 620 H GLY 80 H GLY 80 -19.707 2.166 -7.429 621 HA2 GLY 80 HA2 GLY 80 -19.243 0.945 -4.763 622 HA3 GLY 80 HA3 GLY 80 -18.816 2.576 -5.245 623 HA PRO 81 HA PRO 81 -22.563 2.772 -2.538 624 HB2 PRO 81 HB2 PRO 81 -21.143 5.399 -1.981 625 HB3 PRO 81 HB3 PRO 81 -21.968 4.318 -0.851 626 HG2 PRO 81 HG2 PRO 81 -19.308 4.275 -0.922 627 HG3 PRO 81 HG3 PRO 81 -20.183 2.744 -0.829 628 HD2 PRO 81 HD2 PRO 81 -18.936 4.096 -3.258 629 HD3 PRO 81 HD3 PRO 81 -18.887 2.353 -2.774 Start of MODEL 8 1 HA SER 1 HA SER 1 -4.114 -15.824 -6.774 2 HB2 SER 1 HB2 SER 1 -5.732 -16.599 -8.408 3 HB3 SER 1 HB3 SER 1 -6.494 -15.018 -8.474 4 HG SER 1 HG SER 1 -4.519 -14.193 -9.220 5 H VAL 2 H VAL 2 -2.636 -14.279 -7.073 6 HA VAL 2 HA VAL 2 -3.557 -11.465 -6.677 7 HB VAL 2 HB VAL 2 -0.821 -12.684 -6.111 8 HG11 VAL 2 HG11 VAL 2 -0.347 -10.557 -5.000 9 HG12 VAL 2 HG12 VAL 2 -0.683 -10.343 -6.735 10 HG13 VAL 2 HG13 VAL 2 -1.926 -9.930 -5.528 11 HG21 VAL 2 HG21 VAL 2 -1.446 -12.387 -3.735 12 HG22 VAL 2 HG22 VAL 2 -3.058 -11.820 -4.232 13 HG23 VAL 2 HG23 VAL 2 -2.563 -13.499 -4.560 14 H LYS 3 H LYS 3 -3.760 -10.552 -8.625 15 HA LYS 3 HA LYS 3 -2.166 -11.377 -10.895 16 HB2 LYS 3 HB2 LYS 3 -4.495 -10.531 -11.110 17 HB3 LYS 3 HB3 LYS 3 -3.974 -8.950 -10.544 18 HG2 LYS 3 HG2 LYS 3 -2.555 -8.672 -12.515 19 HG3 LYS 3 HG3 LYS 3 -2.972 -10.300 -13.069 20 HD2 LYS 3 HD2 LYS 3 -5.347 -9.643 -13.239 21 HD3 LYS 3 HD3 LYS 3 -4.942 -8.018 -12.665 22 HE2 LYS 3 HE2 LYS 3 -3.471 -7.693 -14.630 23 HE3 LYS 3 HE3 LYS 3 -3.880 -9.311 -15.205 24 HZ1 LYS 3 HZ1 LYS 3 -5.193 -7.636 -16.279 25 HZ2 LYS 3 HZ2 LYS 3 -6.169 -8.610 -15.373 26 HZ3 LYS 3 HZ3 LYS 3 -5.786 -7.098 -14.837 27 H GLU 4 H GLU 4 -2.386 -8.246 -9.159 28 HA GLU 4 HA GLU 4 0.390 -7.689 -10.116 29 HB2 GLU 4 HB2 GLU 4 -1.854 -5.770 -9.367 30 HB3 GLU 4 HB3 GLU 4 -0.210 -5.273 -9.745 31 HG2 GLU 4 HG2 GLU 4 -0.445 -6.224 -12.008 32 HG3 GLU 4 HG3 GLU 4 -2.098 -6.705 -11.628 33 H THR 5 H THR 5 1.922 -6.887 -8.720 34 HA THR 5 HA THR 5 1.191 -7.054 -5.825 35 HB THR 5 HB THR 5 3.503 -7.872 -5.398 36 HG1 THR 5 HG1 THR 5 4.815 -7.415 -7.013 37 HG21 THR 5 HG21 THR 5 3.198 -10.138 -6.318 38 HG22 THR 5 HG22 THR 5 1.662 -9.493 -5.692 39 HG23 THR 5 HG23 THR 5 1.968 -9.520 -7.444 40 H LYS 6 H LYS 6 1.622 -4.847 -8.015 41 HA LYS 6 HA LYS 6 3.932 -3.364 -7.363 42 HB2 LYS 6 HB2 LYS 6 2.519 -2.888 -9.330 43 HB3 LYS 6 HB3 LYS 6 1.210 -2.354 -8.283 44 HG2 LYS 6 HG2 LYS 6 2.568 -0.475 -7.494 45 HG3 LYS 6 HG3 LYS 6 3.930 -1.028 -8.479 46 HD2 LYS 6 HD2 LYS 6 2.595 -0.721 -10.526 47 HD3 LYS 6 HD3 LYS 6 1.206 -0.212 -9.556 48 HE2 LYS 6 HE2 LYS 6 2.478 1.721 -8.714 49 HE3 LYS 6 HE3 LYS 6 3.895 1.205 -9.634 50 HZ1 LYS 6 HZ1 LYS 6 2.673 2.905 -10.776 51 HZ2 LYS 6 HZ2 LYS 6 2.626 1.504 -11.647 52 HZ3 LYS 6 HZ3 LYS 6 1.303 1.987 -10.790 53 H LEU 7 H LEU 7 0.621 -3.027 -6.048 54 HA LEU 7 HA LEU 7 1.337 -0.862 -4.303 55 HB2 LEU 7 HB2 LEU 7 -1.004 -2.798 -4.233 56 HB3 LEU 7 HB3 LEU 7 -0.866 -1.358 -3.219 57 HG LEU 7 HG LEU 7 -1.070 -1.389 -6.251 58 HD11 LEU 7 HD11 LEU 7 -3.280 -0.401 -5.843 59 HD12 LEU 7 HD12 LEU 7 -3.141 -2.024 -5.126 60 HD13 LEU 7 HD13 LEU 7 -3.035 -0.581 -4.090 61 HD21 LEU 7 HD21 LEU 7 -1.247 1.065 -6.000 62 HD22 LEU 7 HD22 LEU 7 -0.976 0.906 -4.248 63 HD23 LEU 7 HD23 LEU 7 0.316 0.471 -5.393 64 H TYR 8 H TYR 8 1.279 -4.369 -3.952 65 HA TYR 8 HA TYR 8 1.607 -4.385 -1.090 66 HB2 TYR 8 HB2 TYR 8 2.253 -6.471 -3.211 67 HB3 TYR 8 HB3 TYR 8 2.370 -6.761 -1.481 68 HD1 TYR 8 HD1 TYR 8 0.420 -7.478 -4.145 69 HD2 TYR 8 HD2 TYR 8 0.063 -5.702 -0.256 70 HE1 TYR 8 HE1 TYR 8 -1.973 -8.090 -4.084 71 HE2 TYR 8 HE2 TYR 8 -2.331 -6.315 -0.195 72 HH TYR 8 HH TYR 8 -3.910 -7.839 -2.976 73 H ASP 9 H ASP 9 3.853 -4.341 -3.824 74 HA ASP 9 HA ASP 9 6.215 -4.710 -2.206 75 HB2 ASP 9 HB2 ASP 9 5.777 -3.617 -5.007 76 HB3 ASP 9 HB3 ASP 9 7.371 -3.749 -4.279 77 H LEU 10 H LEU 10 4.411 -1.894 -3.374 78 HA LEU 10 HA LEU 10 6.281 0.089 -2.519 79 HB2 LEU 10 HB2 LEU 10 3.273 0.144 -2.904 80 HB3 LEU 10 HB3 LEU 10 4.211 1.576 -2.468 81 HG LEU 10 HG LEU 10 4.650 -0.051 -4.997 82 HD11 LEU 10 HD11 LEU 10 3.502 1.799 -6.131 83 HD12 LEU 10 HD12 LEU 10 2.432 0.968 -4.978 84 HD13 LEU 10 HD13 LEU 10 3.145 2.543 -4.557 85 HD21 LEU 10 HD21 LEU 10 5.964 1.932 -5.666 86 HD22 LEU 10 HD22 LEU 10 5.643 2.681 -4.084 87 HD23 LEU 10 HD23 LEU 10 6.623 1.198 -4.184 88 H LEU 11 H LEU 11 3.589 -1.541 -0.870 89 HA LEU 11 HA LEU 11 3.956 -0.008 1.581 90 HB2 LEU 11 HB2 LEU 11 2.401 -2.542 0.962 91 HB3 LEU 11 HB3 LEU 11 2.384 -1.732 2.531 92 HG LEU 11 HG LEU 11 1.383 -0.562 -0.090 93 HD11 LEU 11 HD11 LEU 11 -0.820 -0.771 0.970 94 HD12 LEU 11 HD12 LEU 11 -0.029 -2.353 0.784 95 HD13 LEU 11 HD13 LEU 11 -0.068 -1.561 2.376 96 HD21 LEU 11 HD21 LEU 11 0.576 1.281 1.344 97 HD22 LEU 11 HD22 LEU 11 1.348 0.522 2.756 98 HD23 LEU 11 HD23 LEU 11 2.348 1.140 1.421 99 H GLY 12 H GLY 12 5.147 -3.019 0.236 100 HA2 GLY 12 HA2 GLY 12 7.000 -4.266 0.966 101 HA3 GLY 12 HA3 GLY 12 7.117 -3.252 2.393 102 H VAL 13 H VAL 13 4.353 -5.146 1.136 103 HA VAL 13 HA VAL 13 4.452 -6.848 3.567 104 HB VAL 13 HB VAL 13 3.016 -4.894 4.122 105 HG11 VAL 13 HG11 VAL 13 0.904 -4.543 2.937 106 HG12 VAL 13 HG12 VAL 13 2.311 -4.296 1.876 107 HG13 VAL 13 HG13 VAL 13 1.359 -5.795 1.756 108 HG21 VAL 13 HG21 VAL 13 1.016 -6.186 4.792 109 HG22 VAL 13 HG22 VAL 13 1.483 -7.488 3.670 110 HG23 VAL 13 HG23 VAL 13 2.508 -7.114 5.078 111 H SER 14 H SER 14 3.532 -8.852 3.347 112 HA SER 14 HA SER 14 3.498 -9.933 0.716 113 HB2 SER 14 HB2 SER 14 4.006 -11.309 2.646 114 HB3 SER 14 HB3 SER 14 2.420 -11.011 3.338 115 HG SER 14 HG SER 14 1.848 -12.672 2.298 116 HA PRO 15 HA PRO 15 -0.521 -8.992 -0.789 117 HB2 PRO 15 HB2 PRO 15 -0.179 -11.703 -2.113 118 HB3 PRO 15 HB3 PRO 15 -0.662 -10.162 -2.837 119 HG2 PRO 15 HG2 PRO 15 1.832 -11.011 -3.221 120 HG3 PRO 15 HG3 PRO 15 1.559 -9.307 -2.847 121 HD2 PRO 15 HD2 PRO 15 2.446 -11.558 -0.993 122 HD3 PRO 15 HD3 PRO 15 3.087 -9.870 -1.124 123 H SER 16 H SER 16 0.426 -11.987 0.784 124 HA SER 16 HA SER 16 -2.241 -13.108 0.956 125 HB2 SER 16 HB2 SER 16 -1.231 -14.788 2.360 126 HB3 SER 16 HB3 SER 16 -0.151 -14.462 1.014 127 HG SER 16 HG SER 16 0.130 -13.980 3.687 128 H ALA 17 H ALA 17 -0.642 -10.604 2.590 129 HA ALA 17 HA ALA 17 -1.750 -10.977 5.216 130 HB1 ALA 17 HB1 ALA 17 -1.114 -8.612 5.569 131 HB2 ALA 17 HB2 ALA 17 0.202 -9.543 4.817 132 HB3 ALA 17 HB3 ALA 17 -0.790 -8.448 3.827 133 H ASN 18 H ASN 18 -3.522 -10.113 6.211 134 HA ASN 18 HA ASN 18 -5.742 -9.398 4.420 135 HB2 ASN 18 HB2 ASN 18 -7.135 -9.560 6.385 136 HB3 ASN 18 HB3 ASN 18 -6.067 -10.955 6.328 137 HD21 ASN 18 HD21 ASN 18 -5.685 -10.195 9.751 138 HD22 ASN 18 HD22 ASN 18 -6.573 -11.138 8.602 139 H GLU 19 H GLU 19 -7.286 -7.646 5.498 140 HA GLU 19 HA GLU 19 -6.033 -5.248 4.648 141 HB2 GLU 19 HB2 GLU 19 -8.601 -5.688 6.220 142 HB3 GLU 19 HB3 GLU 19 -8.117 -4.136 5.549 143 HG2 GLU 19 HG2 GLU 19 -9.543 -4.908 3.932 144 HG3 GLU 19 HG3 GLU 19 -7.987 -5.430 3.290 145 H GLN 20 H GLN 20 -6.441 -6.657 7.839 146 HA GLN 20 HA GLN 20 -5.802 -4.263 9.312 147 HB2 GLN 20 HB2 GLN 20 -5.683 -7.209 10.056 148 HB3 GLN 20 HB3 GLN 20 -5.346 -5.911 11.192 149 HG2 GLN 20 HG2 GLN 20 -7.599 -5.049 10.955 150 HG3 GLN 20 HG3 GLN 20 -7.955 -6.275 9.705 151 HE21 GLN 20 HE21 GLN 20 -9.222 -7.300 13.119 152 HE22 GLN 20 HE22 GLN 20 -9.366 -5.838 12.199 153 H GLU 21 H GLU 21 -3.885 -7.061 8.217 154 HA GLU 21 HA GLU 21 -1.420 -6.021 9.340 155 HB2 GLU 21 HB2 GLU 21 -1.981 -8.201 7.292 156 HB3 GLU 21 HB3 GLU 21 -0.371 -7.818 7.889 157 HG2 GLU 21 HG2 GLU 21 -2.701 -8.758 9.578 158 HG3 GLU 21 HG3 GLU 21 -1.358 -9.755 9.016 159 H LEU 22 H LEU 22 -3.080 -5.793 6.245 160 HA LEU 22 HA LEU 22 -0.910 -4.603 4.790 161 HB2 LEU 22 HB2 LEU 22 -3.922 -4.417 4.456 162 HB3 LEU 22 HB3 LEU 22 -2.765 -3.727 3.314 163 HG LEU 22 HG LEU 22 -2.928 -6.683 3.997 164 HD11 LEU 22 HD11 LEU 22 -4.039 -6.911 1.821 165 HD12 LEU 22 HD12 LEU 22 -4.992 -5.913 2.944 166 HD13 LEU 22 HD13 LEU 22 -4.054 -5.140 1.643 167 HD21 LEU 22 HD21 LEU 22 -1.534 -6.901 1.969 168 HD22 LEU 22 HD22 LEU 22 -1.513 -5.130 1.791 169 HD23 LEU 22 HD23 LEU 22 -0.727 -5.894 3.194 170 H LYS 23 H LYS 23 -3.498 -3.276 6.831 171 HA LYS 23 HA LYS 23 -2.868 -0.526 6.513 172 HB2 LYS 23 HB2 LYS 23 -4.874 -1.300 7.705 173 HB3 LYS 23 HB3 LYS 23 -3.881 -2.024 8.963 174 HG2 LYS 23 HG2 LYS 23 -3.083 0.182 9.652 175 HG3 LYS 23 HG3 LYS 23 -3.991 0.941 8.337 176 HD2 LYS 23 HD2 LYS 23 -6.105 0.115 9.305 177 HD3 LYS 23 HD3 LYS 23 -5.206 -0.676 10.609 178 HE2 LYS 23 HE2 LYS 23 -4.340 1.524 11.344 179 HE3 LYS 23 HE3 LYS 23 -5.245 2.313 10.049 180 HZ1 LYS 23 HZ1 LYS 23 -6.413 2.406 12.127 181 HZ2 LYS 23 HZ2 LYS 23 -7.270 1.498 11.047 182 HZ3 LYS 23 HZ3 LYS 23 -6.425 0.762 12.257 183 H LYS 24 H LYS 24 -1.552 -2.955 8.774 184 HA LYS 24 HA LYS 24 0.287 -1.245 10.091 185 HB2 LYS 24 HB2 LYS 24 0.421 -4.218 9.467 186 HB3 LYS 24 HB3 LYS 24 1.590 -3.391 10.487 187 HG2 LYS 24 HG2 LYS 24 -0.174 -2.788 12.074 188 HG3 LYS 24 HG3 LYS 24 -1.389 -3.541 11.032 189 HD2 LYS 24 HD2 LYS 24 -0.185 -5.722 11.268 190 HD3 LYS 24 HD3 LYS 24 0.937 -4.946 12.397 191 HE2 LYS 24 HE2 LYS 24 -0.905 -4.432 13.927 192 HE3 LYS 24 HE3 LYS 24 -2.076 -5.099 12.785 193 HZ1 LYS 24 HZ1 LYS 24 -1.526 -6.663 14.499 194 HZ2 LYS 24 HZ2 LYS 24 -1.017 -7.238 13.039 195 HZ3 LYS 24 HZ3 LYS 24 0.074 -6.616 14.107 196 H GLY 25 H GLY 25 0.578 -3.074 7.060 197 HA2 GLY 25 HA2 GLY 25 3.289 -2.500 6.466 198 HA3 GLY 25 HA3 GLY 25 2.031 -2.784 5.277 199 H TYR 26 H TYR 26 0.309 -0.648 5.762 200 HA TYR 26 HA TYR 26 1.577 1.499 4.384 201 HB2 TYR 26 HB2 TYR 26 -0.841 1.174 4.284 202 HB3 TYR 26 HB3 TYR 26 -0.989 1.423 6.018 203 HD1 TYR 26 HD1 TYR 26 0.524 3.221 3.087 204 HD2 TYR 26 HD2 TYR 26 -1.814 3.454 6.677 205 HE1 TYR 26 HE1 TYR 26 0.188 5.641 2.713 206 HE2 TYR 26 HE2 TYR 26 -2.149 5.874 6.302 207 HH TYR 26 HH TYR 26 -0.971 7.462 3.371 208 H ARG 27 H ARG 27 0.787 1.068 7.832 209 HA ARG 27 HA ARG 27 1.632 3.606 8.731 210 HB2 ARG 27 HB2 ARG 27 1.707 0.898 10.096 211 HB3 ARG 27 HB3 ARG 27 2.081 2.405 10.919 212 HG2 ARG 27 HG2 ARG 27 -0.173 3.231 10.519 213 HG3 ARG 27 HG3 ARG 27 -0.563 1.764 9.590 214 HD2 ARG 27 HD2 ARG 27 -1.441 1.538 11.782 215 HD3 ARG 27 HD3 ARG 27 -0.059 0.432 11.611 216 HE ARG 27 HE ARG 27 0.724 2.969 12.710 217 HH11 ARG 27 HH11 ARG 27 -0.772 -0.109 13.500 218 HH12 ARG 27 HH12 ARG 27 -0.312 -0.043 15.187 219 HH21 ARG 27 HH21 ARG 27 1.318 3.044 14.900 220 HH22 ARG 27 HH22 ARG 27 0.871 1.742 15.981 221 H LYS 28 H LYS 28 3.490 0.601 8.258 222 HA LYS 28 HA LYS 28 5.981 1.711 9.186 223 HB2 LYS 28 HB2 LYS 28 5.335 -0.680 7.423 224 HB3 LYS 28 HB3 LYS 28 6.968 -0.268 7.926 225 HG2 LYS 28 HG2 LYS 28 6.335 -0.546 10.284 226 HG3 LYS 28 HG3 LYS 28 4.675 -0.921 9.800 227 HD2 LYS 28 HD2 LYS 28 5.498 -2.881 8.520 228 HD3 LYS 28 HD3 LYS 28 7.152 -2.511 9.030 229 HE2 LYS 28 HE2 LYS 28 6.502 -2.816 11.390 230 HE3 LYS 28 HE3 LYS 28 4.841 -3.158 10.898 231 HZ1 LYS 28 HZ1 LYS 28 6.074 -5.160 11.296 232 HZ2 LYS 28 HZ2 LYS 28 5.651 -5.074 9.704 233 HZ3 LYS 28 HZ3 LYS 28 7.202 -4.756 10.164 234 H ALA 29 H ALA 29 4.530 1.310 5.959 235 HA ALA 29 HA ALA 29 6.792 2.325 4.532 236 HB1 ALA 29 HB1 ALA 29 5.208 2.587 2.650 237 HB2 ALA 29 HB2 ALA 29 5.034 1.003 3.441 238 HB3 ALA 29 HB3 ALA 29 3.851 2.293 3.762 239 H ALA 30 H ALA 30 3.951 3.874 5.961 240 HA ALA 30 HA ALA 30 4.340 6.451 4.824 241 HB1 ALA 30 HB1 ALA 30 2.958 7.262 6.707 242 HB2 ALA 30 HB2 ALA 30 2.266 5.802 5.963 243 HB3 ALA 30 HB3 ALA 30 3.138 5.685 7.508 244 H LEU 31 H LEU 31 5.608 4.984 7.809 245 HA LEU 31 HA LEU 31 7.123 7.291 8.608 246 HB2 LEU 31 HB2 LEU 31 7.442 4.330 9.198 247 HB3 LEU 31 HB3 LEU 31 8.444 5.585 9.938 248 HG LEU 31 HG LEU 31 5.424 5.403 10.223 249 HD11 LEU 31 HD11 LEU 31 5.907 4.591 12.489 250 HD12 LEU 31 HD12 LEU 31 6.536 3.484 11.245 251 HD13 LEU 31 HD13 LEU 31 7.646 4.574 12.110 252 HD21 LEU 31 HD21 LEU 31 5.803 7.056 12.022 253 HD22 LEU 31 HD22 LEU 31 7.541 7.075 11.637 254 HD23 LEU 31 HD23 LEU 31 6.362 7.679 10.449 255 H LYS 32 H LYS 32 7.860 4.446 6.608 256 HA LYS 32 HA LYS 32 10.637 4.908 6.295 257 HB2 LYS 32 HB2 LYS 32 9.483 2.822 5.603 258 HB3 LYS 32 HB3 LYS 32 8.678 3.694 4.305 259 HG2 LYS 32 HG2 LYS 32 10.890 4.181 3.284 260 HG3 LYS 32 HG3 LYS 32 11.664 3.238 4.566 261 HD2 LYS 32 HD2 LYS 32 10.379 1.240 3.877 262 HD3 LYS 32 HD3 LYS 32 9.601 2.183 2.597 263 HE2 LYS 32 HE2 LYS 32 11.941 2.673 1.705 264 HE3 LYS 32 HE3 LYS 32 12.538 1.463 2.841 265 HZ1 LYS 32 HZ1 LYS 32 12.137 0.526 0.684 266 HZ2 LYS 32 HZ2 LYS 32 11.110 -0.150 1.784 267 HZ3 LYS 32 HZ3 LYS 32 10.552 0.981 0.721 268 H TYR 33 H TYR 33 7.869 6.127 4.414 269 HA TYR 33 HA TYR 33 9.780 7.790 2.842 270 HB2 TYR 33 HB2 TYR 33 6.868 7.139 2.238 271 HB3 TYR 33 HB3 TYR 33 7.984 8.003 1.188 272 HD1 TYR 33 HD1 TYR 33 6.479 4.929 1.766 273 HD2 TYR 33 HD2 TYR 33 10.280 6.643 0.750 274 HE1 TYR 33 HE1 TYR 33 7.172 2.789 0.739 275 HE2 TYR 33 HE2 TYR 33 10.971 4.504 -0.278 276 HH TYR 33 HH TYR 33 8.728 1.781 -0.540 277 H HIS 34 H HIS 34 8.734 8.303 5.613 278 HA HIS 34 HA HIS 34 6.755 10.383 5.482 279 HB2 HIS 34 HB2 HIS 34 7.501 8.993 7.525 280 HB3 HIS 34 HB3 HIS 34 8.854 10.109 7.646 281 HD2 HIS 34 HD2 HIS 34 5.196 9.875 8.719 282 HE1 HIS 34 HE1 HIS 34 6.380 13.934 9.256 283 HE2 HIS 34 HE2 HIS 34 4.585 12.189 9.743 284 HA PRO 35 HA PRO 35 8.904 13.603 3.631 285 HB2 PRO 35 HB2 PRO 35 7.217 15.279 5.547 286 HB3 PRO 35 HB3 PRO 35 7.508 15.532 3.822 287 HG2 PRO 35 HG2 PRO 35 5.208 14.420 4.551 288 HG3 PRO 35 HG3 PRO 35 6.077 13.740 3.172 289 HD2 PRO 35 HD2 PRO 35 5.918 12.730 6.031 290 HD3 PRO 35 HD3 PRO 35 5.929 11.790 4.484 291 H ASP 36 H ASP 36 8.597 13.412 7.153 292 HA ASP 36 HA ASP 36 10.675 15.484 7.530 293 HB2 ASP 36 HB2 ASP 36 8.868 14.017 9.490 294 HB3 ASP 36 HB3 ASP 36 10.092 15.182 9.974 295 H LYS 37 H LYS 37 10.898 12.444 6.684 296 HA LYS 37 HA LYS 37 13.118 11.849 8.593 297 HB2 LYS 37 HB2 LYS 37 11.554 9.966 6.780 298 HB3 LYS 37 HB3 LYS 37 12.914 9.494 7.788 299 HG2 LYS 37 HG2 LYS 37 10.320 10.657 8.845 300 HG3 LYS 37 HG3 LYS 37 10.704 8.932 8.765 301 HD2 LYS 37 HD2 LYS 37 12.705 9.349 10.206 302 HD3 LYS 37 HD3 LYS 37 12.214 11.043 10.348 303 HE2 LYS 37 HE2 LYS 37 10.048 10.306 11.334 304 HE3 LYS 37 HE3 LYS 37 10.595 8.630 11.246 305 HZ1 LYS 37 HZ1 LYS 37 10.953 9.561 13.412 306 HZ2 LYS 37 HZ2 LYS 37 12.405 9.204 12.714 307 HZ3 LYS 37 HZ3 LYS 37 11.892 10.770 12.798 308 HA PRO 38 HA PRO 38 16.209 12.447 5.656 309 HB2 PRO 38 HB2 PRO 38 17.152 9.632 6.331 310 HB3 PRO 38 HB3 PRO 38 18.088 11.131 6.266 311 HG2 PRO 38 HG2 PRO 38 17.374 10.201 8.653 312 HG3 PRO 38 HG3 PRO 38 17.219 11.931 8.335 313 HD2 PRO 38 HD2 PRO 38 15.071 9.775 8.306 314 HD3 PRO 38 HD3 PRO 38 14.994 11.454 8.977 315 H THR 39 H THR 39 14.447 9.375 5.615 316 HA THR 39 HA THR 39 15.145 8.970 2.753 317 HB THR 39 HB THR 39 14.130 6.710 3.052 318 HG1 THR 39 HG1 THR 39 12.690 6.863 4.668 319 HG21 THR 39 HG21 THR 39 15.870 5.807 4.545 320 HG22 THR 39 HG22 THR 39 16.544 7.048 3.463 321 HG23 THR 39 HG23 THR 39 16.198 7.443 5.161 322 H GLY 40 H GLY 40 13.216 11.003 3.878 323 HA2 GLY 40 HA2 GLY 40 10.529 10.208 3.397 324 HA3 GLY 40 HA3 GLY 40 11.126 11.856 3.350 325 H ASP 41 H ASP 41 9.207 10.293 1.616 326 HA ASP 41 HA ASP 41 10.276 11.255 -0.952 327 HB2 ASP 41 HB2 ASP 41 11.092 8.909 -0.820 328 HB3 ASP 41 HB3 ASP 41 9.444 8.349 -0.574 329 H THR 42 H THR 42 8.668 12.695 -1.237 330 HA THR 42 HA THR 42 6.015 12.341 -0.298 331 HB THR 42 HB THR 42 7.050 14.164 -2.513 332 HG1 THR 42 HG1 THR 42 6.754 15.663 -0.598 333 HG21 THR 42 HG21 THR 42 5.023 15.490 -2.068 334 HG22 THR 42 HG22 THR 42 4.602 13.854 -2.630 335 HG23 THR 42 HG23 THR 42 4.470 14.262 -0.903 336 H GLU 43 H GLU 43 7.459 11.727 -3.486 337 HA GLU 43 HA GLU 43 5.069 11.221 -4.907 338 HB2 GLU 43 HB2 GLU 43 7.294 11.460 -5.972 339 HB3 GLU 43 HB3 GLU 43 7.805 9.932 -5.266 340 HG2 GLU 43 HG2 GLU 43 6.130 8.732 -6.567 341 HG3 GLU 43 HG3 GLU 43 5.522 10.250 -7.226 342 H LYS 44 H LYS 44 7.245 8.863 -3.308 343 HA LYS 44 HA LYS 44 5.444 6.654 -3.752 344 HB2 LYS 44 HB2 LYS 44 7.837 7.044 -1.921 345 HB3 LYS 44 HB3 LYS 44 6.926 5.541 -1.975 346 HG2 LYS 44 HG2 LYS 44 7.441 5.346 -4.402 347 HG3 LYS 44 HG3 LYS 44 8.419 6.815 -4.286 348 HD2 LYS 44 HD2 LYS 44 9.877 5.729 -2.621 349 HD3 LYS 44 HD3 LYS 44 8.884 4.266 -2.691 350 HE2 LYS 44 HE2 LYS 44 9.452 3.964 -5.060 351 HE3 LYS 44 HE3 LYS 44 10.383 5.465 -5.051 352 HZ1 LYS 44 HZ1 LYS 44 11.787 3.553 -4.805 353 HZ2 LYS 44 HZ2 LYS 44 11.856 4.472 -3.437 354 HZ3 LYS 44 HZ3 LYS 44 10.986 3.070 -3.447 355 H PHE 45 H PHE 45 5.875 8.998 -1.163 356 HA PHE 45 HA PHE 45 4.329 7.729 0.842 357 HB2 PHE 45 HB3 PHE 45 5.712 9.841 1.082 358 HB3 PHE 45 HB2 PHE 45 4.424 10.714 0.264 359 HD1 PHE 45 HD1 PHE 45 2.484 11.404 1.417 360 HD2 PHE 45 HD2 PHE 45 5.230 8.708 3.276 361 HE1 PHE 45 HE1 PHE 45 1.322 11.712 3.577 362 HE2 PHE 45 HE2 PHE 45 4.068 9.012 5.437 363 HZ PHE 45 HZ PHE 45 2.114 10.515 5.587 364 H LYS 46 H LYS 46 3.360 9.700 -1.947 365 HA LYS 46 HA LYS 46 0.532 9.577 -1.289 366 HB2 LYS 46 HB2 LYS 46 2.032 10.290 -3.835 367 HB3 LYS 46 HB3 LYS 46 0.279 10.330 -3.711 368 HG2 LYS 46 HG2 LYS 46 0.432 12.021 -1.926 369 HG3 LYS 46 HG3 LYS 46 2.198 11.973 -2.032 370 HD2 LYS 46 HD2 LYS 46 2.087 12.715 -4.383 371 HD3 LYS 46 HD3 LYS 46 0.319 12.740 -4.298 372 HE2 LYS 46 HE2 LYS 46 0.420 14.459 -2.531 373 HE3 LYS 46 HE3 LYS 46 2.183 14.425 -2.584 374 HZ1 LYS 46 HZ1 LYS 46 1.297 16.230 -3.867 375 HZ2 LYS 46 HZ2 LYS 46 2.071 15.167 -4.865 376 HZ3 LYS 46 HZ3 LYS 46 0.422 15.201 -4.813 377 H GLU 47 H GLU 47 2.776 7.664 -3.231 378 HA GLU 47 HA GLU 47 0.795 6.132 -4.613 379 HB2 GLU 47 HB2 GLU 47 3.696 5.570 -3.908 380 HB3 GLU 47 HB3 GLU 47 2.721 4.462 -4.862 381 HG2 GLU 47 HG2 GLU 47 2.392 6.172 -6.571 382 HG3 GLU 47 HG3 GLU 47 3.287 7.341 -5.603 383 H ILE 48 H ILE 48 2.532 5.607 -1.551 384 HA ILE 48 HA ILE 48 1.324 3.024 -1.071 385 HB ILE 48 HB ILE 48 2.249 3.260 1.215 386 HG12 ILE 48 HG12 ILE 48 3.113 6.042 0.404 387 HG13 ILE 48 HG13 ILE 48 1.700 5.711 1.391 388 HG21 ILE 48 HG21 ILE 48 4.619 3.495 0.591 389 HG22 ILE 48 HG22 ILE 48 3.735 2.534 -0.614 390 HG23 ILE 48 HG23 ILE 48 4.143 4.230 -0.959 391 HD11 ILE 48 HD11 ILE 48 3.609 6.314 2.770 392 HD12 ILE 48 HD12 ILE 48 3.117 4.631 3.083 393 HD13 ILE 48 HD13 ILE 48 4.550 4.968 2.084 394 H SER 49 H SER 49 0.343 6.316 -0.569 395 HA SER 49 HA SER 49 -1.727 5.734 1.372 396 HB2 SER 49 HB2 SER 49 -1.342 8.042 -0.562 397 HB3 SER 49 HB3 SER 49 -2.602 7.980 0.659 398 HG SER 49 HG SER 49 0.159 8.164 0.937 399 H GLU 50 H GLU 50 -1.630 6.036 -2.182 400 HA GLU 50 HA GLU 50 -4.362 5.280 -2.608 401 HB2 GLU 50 HB2 GLU 50 -1.851 5.038 -4.296 402 HB3 GLU 50 HB3 GLU 50 -3.410 4.456 -4.863 403 HG2 GLU 50 HG2 GLU 50 -4.343 6.726 -4.607 404 HG3 GLU 50 HG3 GLU 50 -2.767 7.303 -4.066 405 H ALA 51 H ALA 51 -1.355 3.394 -2.295 406 HA ALA 51 HA ALA 51 -2.448 0.829 -2.715 407 HB1 ALA 51 HB1 ALA 51 -0.566 0.004 -1.339 408 HB2 ALA 51 HB2 ALA 51 -0.039 1.242 -2.505 409 HB3 ALA 51 HB3 ALA 51 -0.249 1.665 -0.790 410 H PHE 52 H PHE 52 -2.244 2.739 0.290 411 HA PHE 52 HA PHE 52 -3.431 0.806 1.998 412 HB2 PHE 52 HB3 PHE 52 -2.319 2.766 2.908 413 HB3 PHE 52 HB2 PHE 52 -3.447 3.846 2.104 414 HD1 PHE 52 HD1 PHE 52 -3.492 0.968 4.500 415 HD2 PHE 52 HD2 PHE 52 -5.174 4.721 3.343 416 HE1 PHE 52 HE1 PHE 52 -4.949 0.927 6.496 417 HE2 PHE 52 HE2 PHE 52 -6.630 4.686 5.341 418 HZ PHE 52 HZ PHE 52 -6.518 2.787 6.916 419 H GLU 53 H GLU 53 -4.968 3.622 0.389 420 HA GLU 53 HA GLU 53 -7.587 3.114 1.268 421 HB2 GLU 53 HB2 GLU 53 -7.069 5.214 0.213 422 HB3 GLU 53 HB3 GLU 53 -6.547 4.424 -1.268 423 HG2 GLU 53 HG2 GLU 53 -8.686 5.417 -1.637 424 HG3 GLU 53 HG3 GLU 53 -8.873 3.665 -1.660 425 H ILE 54 H ILE 54 -5.963 1.973 -1.699 426 HA ILE 54 HA ILE 54 -8.267 0.615 -2.730 427 HB ILE 54 HB ILE 54 -5.294 0.310 -3.291 428 HG12 ILE 54 HG12 ILE 54 -7.479 1.456 -5.033 429 HG13 ILE 54 HG13 ILE 54 -6.533 2.430 -3.920 430 HG21 ILE 54 HG21 ILE 54 -5.950 -1.037 -5.244 431 HG22 ILE 54 HG22 ILE 54 -6.428 -1.835 -3.728 432 HG23 ILE 54 HG23 ILE 54 -7.646 -0.990 -4.711 433 HD11 ILE 54 HD11 ILE 54 -5.637 2.557 -6.176 434 HD12 ILE 54 HD12 ILE 54 -4.468 1.778 -5.081 435 HD13 ILE 54 HD13 ILE 54 -5.426 0.791 -6.211 436 H LEU 55 H LEU 55 -5.548 -0.422 -0.692 437 HA LEU 55 HA LEU 55 -6.483 -3.217 -0.817 438 HB2 LEU 55 HB2 LEU 55 -4.098 -1.940 0.568 439 HB3 LEU 55 HB3 LEU 55 -4.439 -3.673 0.535 440 HG LEU 55 HG LEU 55 -3.846 -1.961 -1.905 441 HD11 LEU 55 HD11 LEU 55 -1.692 -3.138 -1.908 442 HD12 LEU 55 HD12 LEU 55 -1.913 -2.176 -0.428 443 HD13 LEU 55 HD13 LEU 55 -2.130 -3.942 -0.382 444 HD21 LEU 55 HD21 LEU 55 -3.690 -4.149 -3.043 445 HD22 LEU 55 HD22 LEU 55 -4.157 -4.968 -1.533 446 HD23 LEU 55 HD23 LEU 55 -5.315 -3.898 -2.359 447 H ASN 56 H ASN 56 -7.030 -0.475 1.078 448 HA ASN 56 HA ASN 56 -7.542 -1.895 3.578 449 HB2 ASN 56 HB2 ASN 56 -6.921 0.503 3.532 450 HB3 ASN 56 HB3 ASN 56 -8.407 0.869 2.667 451 HD21 ASN 56 HD21 ASN 56 -10.179 1.319 5.585 452 HD22 ASN 56 HD22 ASN 56 -9.880 1.731 3.929 453 H ASP 57 H ASP 57 -9.657 -0.307 1.158 454 HA ASP 57 HA ASP 57 -12.048 -1.581 2.106 455 HB2 ASP 57 HB2 ASP 57 -12.018 0.456 0.660 456 HB3 ASP 57 HB3 ASP 57 -11.414 -0.515 -0.677 457 HA PRO 58 HA PRO 58 -10.985 -5.688 0.930 458 HB2 PRO 58 HB2 PRO 58 -14.012 -5.901 1.256 459 HB3 PRO 58 HB3 PRO 58 -12.757 -7.012 1.823 460 HG2 PRO 58 HG2 PRO 58 -13.824 -5.333 3.583 461 HG3 PRO 58 HG3 PRO 58 -12.073 -5.562 3.589 462 HD2 PRO 58 HD2 PRO 58 -13.706 -3.278 2.425 463 HD3 PRO 58 HD3 PRO 58 -12.130 -3.221 3.312 464 H GLN 59 H GLN 59 -13.710 -3.835 -0.415 465 HA GLN 59 HA GLN 59 -14.128 -5.526 -2.706 466 HB2 GLN 59 HB2 GLN 59 -15.838 -3.938 -1.836 467 HB3 GLN 59 HB3 GLN 59 -14.819 -2.586 -2.310 468 HG2 GLN 59 HG2 GLN 59 -16.550 -2.896 -3.939 469 HG3 GLN 59 HG3 GLN 59 -14.979 -3.329 -4.673 470 HE21 GLN 59 HE21 GLN 59 -16.271 -6.329 -5.817 471 HE22 GLN 59 HE22 GLN 59 -15.341 -4.895 -6.104 472 H LYS 60 H LYS 60 -12.339 -2.474 -2.230 473 HA LYS 60 HA LYS 60 -11.434 -2.328 -4.960 474 HB2 LYS 60 HB2 LYS 60 -10.414 -1.045 -2.398 475 HB3 LYS 60 HB3 LYS 60 -9.741 -0.699 -3.985 476 HG2 LYS 60 HG2 LYS 60 -11.941 0.133 -4.739 477 HG3 LYS 60 HG3 LYS 60 -12.611 -0.208 -3.137 478 HD2 LYS 60 HD2 LYS 60 -10.936 1.348 -2.138 479 HD3 LYS 60 HD3 LYS 60 -10.348 1.724 -3.763 480 HE2 LYS 60 HE2 LYS 60 -12.619 2.533 -4.376 481 HE3 LYS 60 HE3 LYS 60 -13.167 2.204 -2.732 482 HZ1 LYS 60 HZ1 LYS 60 -12.574 4.496 -3.021 483 HZ2 LYS 60 HZ2 LYS 60 -11.550 3.789 -1.937 484 HZ3 LYS 60 HZ3 LYS 60 -11.038 4.097 -3.474 485 H ARG 61 H ARG 61 -10.109 -3.753 -2.004 486 HA ARG 61 HA ARG 61 -7.535 -4.409 -3.002 487 HB2 ARG 61 HB2 ARG 61 -8.152 -4.609 -0.631 488 HB3 ARG 61 HB3 ARG 61 -9.271 -5.910 -1.011 489 HG2 ARG 61 HG2 ARG 61 -7.326 -7.261 -1.833 490 HG3 ARG 61 HG3 ARG 61 -6.257 -5.970 -1.234 491 HD2 ARG 61 HD2 ARG 61 -6.521 -7.838 0.334 492 HD3 ARG 61 HD3 ARG 61 -7.063 -6.280 0.997 493 HE ARG 61 HE ARG 61 -9.128 -7.190 1.272 494 HH11 ARG 61 HH11 ARG 61 -7.486 -8.974 -1.271 495 HH12 ARG 61 HH12 ARG 61 -8.786 -10.127 -1.471 496 HH21 ARG 61 HH21 ARG 61 -10.807 -8.693 1.001 497 HH22 ARG 61 HH22 ARG 61 -10.665 -9.969 -0.187 498 H GLU 62 H GLU 62 -10.594 -6.255 -3.068 499 HA GLU 62 HA GLU 62 -9.530 -8.531 -4.428 500 HB2 GLU 62 HB2 GLU 62 -12.328 -7.377 -4.198 501 HB3 GLU 62 HB3 GLU 62 -11.999 -8.836 -5.123 502 HG2 GLU 62 HG2 GLU 62 -11.332 -8.493 -2.192 503 HG3 GLU 62 HG3 GLU 62 -12.814 -9.225 -2.803 504 H ILE 63 H ILE 63 -11.042 -5.534 -5.611 505 HA ILE 63 HA ILE 63 -11.034 -6.204 -8.373 506 HB ILE 63 HB ILE 63 -10.850 -3.525 -6.941 507 HG12 ILE 63 HG12 ILE 63 -13.144 -4.758 -8.475 508 HG13 ILE 63 HG13 ILE 63 -12.926 -4.952 -6.744 509 HG21 ILE 63 HG21 ILE 63 -11.369 -2.493 -9.115 510 HG22 ILE 63 HG22 ILE 63 -9.801 -3.332 -9.164 511 HG23 ILE 63 HG23 ILE 63 -11.233 -4.082 -9.906 512 HD11 ILE 63 HD11 ILE 63 -14.500 -3.165 -7.233 513 HD12 ILE 63 HD12 ILE 63 -13.043 -2.516 -6.440 514 HD13 ILE 63 HD13 ILE 63 -13.267 -2.319 -8.195 515 H TYR 64 H TYR 64 -8.560 -4.651 -6.331 516 HA TYR 64 HA TYR 64 -6.620 -4.283 -8.383 517 HB2 TYR 64 HB2 TYR 64 -6.358 -3.204 -6.221 518 HB3 TYR 64 HB3 TYR 64 -6.317 -4.754 -5.395 519 HD1 TYR 64 HD1 TYR 64 -4.505 -2.895 -8.098 520 HD2 TYR 64 HD2 TYR 64 -4.277 -5.661 -4.826 521 HE1 TYR 64 HE1 TYR 64 -2.043 -2.945 -8.310 522 HE2 TYR 64 HE2 TYR 64 -1.815 -5.710 -5.037 523 HH TYR 64 HH TYR 64 -0.067 -5.113 -6.315 524 H ASP 65 H ASP 65 -7.114 -7.000 -6.117 525 HA ASP 65 HA ASP 65 -4.870 -8.503 -7.048 526 HB2 ASP 65 HB2 ASP 65 -7.416 -9.337 -5.609 527 HB3 ASP 65 HB3 ASP 65 -6.105 -10.454 -5.961 528 H GLN 66 H GLN 66 -8.198 -8.251 -8.156 529 HA GLN 66 HA GLN 66 -7.934 -10.670 -9.817 530 HB2 GLN 66 HB2 GLN 66 -10.223 -8.722 -9.354 531 HB3 GLN 66 HB3 GLN 66 -10.316 -10.072 -10.475 532 HG2 GLN 66 HG2 GLN 66 -9.972 -11.655 -8.659 533 HG3 GLN 66 HG3 GLN 66 -9.791 -10.304 -7.505 534 HE21 GLN 66 HE21 GLN 66 -13.173 -10.755 -6.755 535 HE22 GLN 66 HE22 GLN 66 -11.530 -10.869 -6.219 536 H TYR 67 H TYR 67 -8.034 -7.151 -10.192 537 HA TYR 67 HA TYR 67 -8.049 -7.551 -13.155 538 HB2 TYR 67 HB2 TYR 67 -9.349 -5.315 -11.545 539 HB3 TYR 67 HB3 TYR 67 -9.314 -5.416 -13.300 540 HD1 TYR 67 HD1 TYR 67 -10.168 -7.832 -14.212 541 HD2 TYR 67 HD2 TYR 67 -11.290 -5.964 -10.515 542 HE1 TYR 67 HE1 TYR 67 -12.257 -9.152 -14.177 543 HE2 TYR 67 HE2 TYR 67 -13.378 -7.286 -10.481 544 HH TYR 67 HH TYR 67 -14.473 -9.020 -11.417 545 H GLY 68 H GLY 68 -7.117 -5.278 -10.554 546 HA2 GLY 68 HA2 GLY 68 -4.527 -5.086 -10.644 547 HA3 GLY 68 HA3 GLY 68 -4.799 -4.457 -12.258 548 H LEU 69 H LEU 69 -3.554 -2.637 -11.120 549 HA LEU 69 HA LEU 69 -4.758 -1.235 -8.934 550 HB2 LEU 69 HB2 LEU 69 -2.321 -1.202 -9.594 551 HB3 LEU 69 HB3 LEU 69 -2.758 -0.155 -10.946 552 HG LEU 69 HG LEU 69 -3.392 0.623 -8.092 553 HD11 LEU 69 HD11 LEU 69 -1.269 1.854 -8.066 554 HD12 LEU 69 HD12 LEU 69 -1.009 0.099 -8.187 555 HD13 LEU 69 HD13 LEU 69 -0.827 1.127 -9.628 556 HD21 LEU 69 HD21 LEU 69 -3.316 2.882 -9.092 557 HD22 LEU 69 HD22 LEU 69 -2.902 2.170 -10.671 558 HD23 LEU 69 HD23 LEU 69 -4.492 1.848 -9.938 559 H GLU 70 H GLU 70 -4.495 -0.388 -12.405 560 HA GLU 70 HA GLU 70 -5.961 2.034 -12.211 561 HB2 GLU 70 HB2 GLU 70 -4.527 1.313 -14.155 562 HB3 GLU 70 HB3 GLU 70 -5.785 0.176 -14.615 563 HG2 GLU 70 HG2 GLU 70 -5.960 2.139 -15.974 564 HG3 GLU 70 HG3 GLU 70 -7.362 2.053 -14.911 565 H ALA 71 H ALA 71 -7.013 -1.309 -12.667 566 HA ALA 71 HA ALA 71 -9.768 -0.738 -13.145 567 HB1 ALA 71 HB1 ALA 71 -10.157 -3.060 -12.386 568 HB2 ALA 71 HB2 ALA 71 -8.796 -2.958 -13.527 569 HB3 ALA 71 HB3 ALA 71 -8.486 -3.135 -11.785 570 H ALA 72 H ALA 72 -7.899 -1.159 -10.155 571 HA ALA 72 HA ALA 72 -10.124 -0.987 -8.375 572 HB1 ALA 72 HB1 ALA 72 -8.433 -0.419 -6.661 573 HB2 ALA 72 HB2 ALA 72 -7.920 -1.801 -7.662 574 HB3 ALA 72 HB3 ALA 72 -7.222 -0.188 -7.943 575 H ARG 73 H ARG 73 -8.118 1.470 -9.933 576 HA ARG 73 HA ARG 73 -9.197 3.720 -8.534 577 HB2 ARG 73 HB2 ARG 73 -7.949 3.409 -11.277 578 HB3 ARG 73 HB3 ARG 73 -8.496 4.963 -10.664 579 HG2 ARG 73 HG2 ARG 73 -6.926 4.820 -8.803 580 HG3 ARG 73 HG3 ARG 73 -6.405 3.209 -9.350 581 HD2 ARG 73 HD2 ARG 73 -5.505 4.096 -11.347 582 HD3 ARG 73 HD3 ARG 73 -6.228 5.690 -11.035 583 HE ARG 73 HE ARG 73 -4.645 5.256 -8.845 584 HH11 ARG 73 HH11 ARG 73 -4.099 5.209 -12.314 585 HH12 ARG 73 HH12 ARG 73 -2.431 5.719 -12.186 586 HH21 ARG 73 HH21 ARG 73 -2.479 5.917 -8.689 587 HH22 ARG 73 HH22 ARG 73 -1.513 6.120 -10.133 588 H SER 74 H SER 74 -10.171 2.040 -11.520 589 HA SER 74 HA SER 74 -12.425 3.862 -11.932 590 HB2 SER 74 HB2 SER 74 -11.266 2.886 -13.852 591 HB3 SER 74 HB3 SER 74 -11.636 1.265 -13.287 592 HG SER 74 HG SER 74 -13.846 1.834 -13.441 593 H GLY 75 H GLY 75 -12.379 0.291 -11.731 594 HA2 GLY 75 HA2 GLY 75 -13.701 -1.132 -10.415 595 HA3 GLY 75 HA3 GLY 75 -14.386 0.264 -9.604 596 H GLY 76 H GLY 76 -16.342 -1.196 -9.909 597 HA2 GLY 76 HA2 GLY 76 -18.510 -1.102 -10.810 598 HA3 GLY 76 HA3 GLY 76 -17.919 -0.084 -12.111 599 HA PRO 77 HA PRO 77 -18.669 -3.558 -14.695 600 HB2 PRO 77 HB2 PRO 77 -16.641 -2.103 -16.435 601 HB3 PRO 77 HB3 PRO 77 -18.217 -2.768 -16.884 602 HG2 PRO 77 HG2 PRO 77 -18.020 -0.142 -16.516 603 HG3 PRO 77 HG3 PRO 77 -19.421 -0.990 -15.855 604 HD2 PRO 77 HD2 PRO 77 -16.892 -0.060 -14.436 605 HD3 PRO 77 HD3 PRO 77 -18.612 0.036 -13.882 606 H SER 78 H SER 78 -17.662 -5.503 -15.101 607 HA SER 78 HA SER 78 -15.147 -6.077 -13.859 608 HB2 SER 78 HB2 SER 78 -16.859 -7.785 -14.150 609 HB3 SER 78 HB3 SER 78 -16.774 -7.628 -15.898 610 HG SER 78 HG SER 78 -14.922 -8.678 -14.100 611 H PHE 79 H PHE 79 -13.128 -6.508 -14.695 612 HA PHE 79 HA PHE 79 -12.658 -5.145 -17.310 613 HB2 PHE 79 HB3 PHE 79 -10.772 -5.503 -14.947 614 HB3 PHE 79 HB2 PHE 79 -10.389 -4.663 -16.442 615 HD1 PHE 79 HD1 PHE 79 -12.329 -4.534 -13.326 616 HD2 PHE 79 HD2 PHE 79 -11.248 -2.459 -16.899 617 HE1 PHE 79 HE1 PHE 79 -13.205 -2.431 -12.367 618 HE2 PHE 79 HE2 PHE 79 -12.120 -0.353 -15.944 619 HZ PHE 79 HZ PHE 79 -13.102 -0.340 -13.677 620 H GLY 80 H GLY 80 -10.947 -5.907 -18.664 621 HA2 GLY 80 HA2 GLY 80 -10.808 -8.869 -18.655 622 HA3 GLY 80 HA3 GLY 80 -10.395 -7.813 -19.992 623 HA PRO 81 HA PRO 81 -6.486 -9.445 -18.143 624 HB2 PRO 81 HB2 PRO 81 -5.764 -9.004 -21.062 625 HB3 PRO 81 HB3 PRO 81 -5.310 -10.337 -19.994 626 HG2 PRO 81 HG2 PRO 81 -7.244 -10.751 -21.774 627 HG3 PRO 81 HG3 PRO 81 -7.453 -11.365 -20.131 628 HD2 PRO 81 HD2 PRO 81 -8.606 -8.847 -21.398 629 HD3 PRO 81 HD3 PRO 81 -9.416 -10.056 -20.323 Start of MODEL 9 1 HA SER 1 HA SER 1 -6.391 -15.179 -6.589 2 HB2 SER 1 HB2 SER 1 -4.245 -15.830 -5.663 3 HB3 SER 1 HB3 SER 1 -4.786 -17.051 -6.806 4 HG SER 1 HG SER 1 -2.758 -16.685 -7.332 5 H VAL 2 H VAL 2 -3.108 -14.263 -7.385 6 HA VAL 2 HA VAL 2 -3.872 -11.424 -6.847 7 HB VAL 2 HB VAL 2 -1.193 -12.803 -6.383 8 HG11 VAL 2 HG11 VAL 2 -0.602 -10.755 -5.181 9 HG12 VAL 2 HG12 VAL 2 -0.954 -10.442 -6.897 10 HG13 VAL 2 HG13 VAL 2 -2.157 -10.031 -5.651 11 HG21 VAL 2 HG21 VAL 2 -1.766 -12.591 -3.985 12 HG22 VAL 2 HG22 VAL 2 -3.357 -11.928 -4.427 13 HG23 VAL 2 HG23 VAL 2 -2.947 -13.610 -4.842 14 H LYS 3 H LYS 3 -4.124 -10.525 -8.814 15 HA LYS 3 HA LYS 3 -2.581 -11.316 -11.113 16 HB2 LYS 3 HB2 LYS 3 -4.863 -10.365 -11.283 17 HB3 LYS 3 HB3 LYS 3 -4.280 -8.832 -10.651 18 HG2 LYS 3 HG2 LYS 3 -2.853 -8.529 -12.620 19 HG3 LYS 3 HG3 LYS 3 -3.363 -10.103 -13.247 20 HD2 LYS 3 HD2 LYS 3 -5.699 -9.314 -13.357 21 HD3 LYS 3 HD3 LYS 3 -5.207 -7.747 -12.702 22 HE2 LYS 3 HE2 LYS 3 -3.750 -7.378 -14.661 23 HE3 LYS 3 HE3 LYS 3 -4.217 -8.950 -15.314 24 HZ1 LYS 3 HZ1 LYS 3 -5.475 -7.177 -16.296 25 HZ2 LYS 3 HZ2 LYS 3 -6.481 -8.161 -15.435 26 HZ3 LYS 3 HZ3 LYS 3 -6.043 -6.691 -14.825 27 H GLU 4 H GLU 4 -2.656 -8.182 -9.371 28 HA GLU 4 HA GLU 4 0.140 -7.747 -10.326 29 HB2 GLU 4 HB2 GLU 4 -2.002 -5.752 -9.488 30 HB3 GLU 4 HB3 GLU 4 -0.342 -5.318 -9.871 31 HG2 GLU 4 HG2 GLU 4 -0.649 -6.196 -12.159 32 HG3 GLU 4 HG3 GLU 4 -2.320 -6.598 -11.768 33 H THR 5 H THR 5 1.727 -7.034 -8.935 34 HA THR 5 HA THR 5 1.060 -7.380 -6.040 35 HB THR 5 HB THR 5 3.359 -8.270 -5.732 36 HG1 THR 5 HG1 THR 5 4.653 -7.703 -7.325 37 HG21 THR 5 HG21 THR 5 3.002 -10.447 -6.831 38 HG22 THR 5 HG22 THR 5 1.487 -9.834 -6.127 39 HG23 THR 5 HG23 THR 5 1.764 -9.719 -7.880 40 H LYS 6 H LYS 6 1.557 -5.042 -8.129 41 HA LYS 6 HA LYS 6 3.945 -3.723 -7.396 42 HB2 LYS 6 HB2 LYS 6 2.592 -3.108 -9.371 43 HB3 LYS 6 HB3 LYS 6 1.306 -2.521 -8.324 44 HG2 LYS 6 HG2 LYS 6 2.752 -0.746 -7.475 45 HG3 LYS 6 HG3 LYS 6 4.109 -1.367 -8.426 46 HD2 LYS 6 HD2 LYS 6 2.876 -0.933 -10.511 47 HD3 LYS 6 HD3 LYS 6 1.481 -0.364 -9.581 48 HE2 LYS 6 HE2 LYS 6 2.834 1.470 -8.646 49 HE3 LYS 6 HE3 LYS 6 4.250 0.894 -9.530 50 HZ1 LYS 6 HZ1 LYS 6 3.167 2.687 -10.671 51 HZ2 LYS 6 HZ2 LYS 6 3.068 1.313 -11.577 52 HZ3 LYS 6 HZ3 LYS 6 1.748 1.853 -10.750 53 H LEU 7 H LEU 7 0.635 -3.245 -6.123 54 HA LEU 7 HA LEU 7 1.405 -1.148 -4.332 55 HB2 LEU 7 HB2 LEU 7 -0.980 -3.030 -4.285 56 HB3 LEU 7 HB3 LEU 7 -0.810 -1.605 -3.256 57 HG LEU 7 HG LEU 7 -1.007 -1.594 -6.289 58 HD11 LEU 7 HD11 LEU 7 -3.201 -0.575 -5.877 59 HD12 LEU 7 HD12 LEU 7 -3.095 -2.210 -5.183 60 HD13 LEU 7 HD13 LEU 7 -2.969 -0.784 -4.125 61 HD21 LEU 7 HD21 LEU 7 -1.144 0.858 -6.005 62 HD22 LEU 7 HD22 LEU 7 -0.883 0.670 -4.255 63 HD23 LEU 7 HD23 LEU 7 0.407 0.229 -5.399 64 H TYR 8 H TYR 8 1.239 -4.659 -4.020 65 HA TYR 8 HA TYR 8 1.609 -4.701 -1.159 66 HB2 TYR 8 HB2 TYR 8 2.147 -6.816 -3.283 67 HB3 TYR 8 HB3 TYR 8 2.227 -7.105 -1.551 68 HD1 TYR 8 HD1 TYR 8 0.192 -7.317 -4.387 69 HD2 TYR 8 HD2 TYR 8 0.046 -6.340 -0.211 70 HE1 TYR 8 HE1 TYR 8 -2.230 -7.808 -4.356 71 HE2 TYR 8 HE2 TYR 8 -2.376 -6.830 -0.182 72 HH TYR 8 HH TYR 8 -4.087 -7.835 -3.133 73 H ASP 9 H ASP 9 3.797 -4.719 -3.936 74 HA ASP 9 HA ASP 9 6.182 -5.137 -2.355 75 HB2 ASP 9 HB2 ASP 9 5.721 -4.043 -5.153 76 HB3 ASP 9 HB3 ASP 9 7.323 -4.210 -4.449 77 H LEU 10 H LEU 10 4.372 -2.306 -3.458 78 HA LEU 10 HA LEU 10 6.293 -0.337 -2.696 79 HB2 LEU 10 HB2 LEU 10 3.270 -0.268 -2.932 80 HB3 LEU 10 HB3 LEU 10 4.231 1.159 -2.534 81 HG LEU 10 HG LEU 10 4.533 -0.455 -5.091 82 HD11 LEU 10 HD11 LEU 10 3.359 1.422 -6.153 83 HD12 LEU 10 HD12 LEU 10 2.334 0.600 -4.954 84 HD13 LEU 10 HD13 LEU 10 3.093 2.159 -4.557 85 HD21 LEU 10 HD21 LEU 10 5.844 1.513 -5.810 86 HD22 LEU 10 HD22 LEU 10 5.613 2.253 -4.207 87 HD23 LEU 10 HD23 LEU 10 6.563 0.757 -4.367 88 H LEU 11 H LEU 11 3.695 -1.967 -0.907 89 HA LEU 11 HA LEU 11 4.273 -0.437 1.527 90 HB2 LEU 11 HB2 LEU 11 2.484 -2.839 1.012 91 HB3 LEU 11 HB3 LEU 11 2.593 -1.980 2.552 92 HG LEU 11 HG LEU 11 1.549 -0.860 -0.072 93 HD11 LEU 11 HD11 LEU 11 -0.580 -0.777 1.148 94 HD12 LEU 11 HD12 LEU 11 0.047 -2.439 1.029 95 HD13 LEU 11 HD13 LEU 11 0.197 -1.536 2.556 96 HD21 LEU 11 HD21 LEU 11 1.026 1.150 1.268 97 HD22 LEU 11 HD22 LEU 11 1.826 0.417 2.679 98 HD23 LEU 11 HD23 LEU 11 2.778 0.840 1.236 99 H GLY 12 H GLY 12 5.162 -3.493 0.079 100 HA2 GLY 12 HA2 GLY 12 6.971 -4.865 0.682 101 HA3 GLY 12 HA3 GLY 12 7.228 -3.889 2.116 102 H VAL 13 H VAL 13 4.311 -5.622 0.970 103 HA VAL 13 HA VAL 13 4.443 -7.375 3.360 104 HB VAL 13 HB VAL 13 3.148 -5.375 4.050 105 HG11 VAL 13 HG11 VAL 13 1.010 -4.853 2.981 106 HG12 VAL 13 HG12 VAL 13 2.381 -4.651 1.864 107 HG13 VAL 13 HG13 VAL 13 1.332 -6.084 1.737 108 HG21 VAL 13 HG21 VAL 13 1.105 -6.570 4.771 109 HG22 VAL 13 HG22 VAL 13 1.438 -7.852 3.583 110 HG23 VAL 13 HG23 VAL 13 2.547 -7.595 4.950 111 H SER 14 H SER 14 3.471 -9.337 3.122 112 HA SER 14 HA SER 14 3.118 -10.286 0.449 113 HB2 SER 14 HB2 SER 14 3.850 -11.773 2.210 114 HB3 SER 14 HB3 SER 14 2.386 -11.485 3.137 115 HG SER 14 HG SER 14 1.637 -13.083 2.111 116 HA PRO 15 HA PRO 15 -1.070 -9.295 -0.282 117 HB2 PRO 15 HB2 PRO 15 -1.623 -11.078 -2.301 118 HB3 PRO 15 HB3 PRO 15 -0.590 -9.664 -2.544 119 HG2 PRO 15 HG2 PRO 15 0.218 -12.543 -1.952 120 HG3 PRO 15 HG3 PRO 15 0.856 -11.463 -3.194 121 HD2 PRO 15 HD2 PRO 15 2.150 -11.797 -0.825 122 HD3 PRO 15 HD3 PRO 15 2.120 -10.192 -1.659 123 H SER 16 H SER 16 0.070 -12.345 0.837 124 HA SER 16 HA SER 16 -2.509 -13.611 1.223 125 HB2 SER 16 HB2 SER 16 -1.305 -15.203 2.576 126 HB3 SER 16 HB3 SER 16 -0.345 -14.843 1.148 127 HG SER 16 HG SER 16 0.092 -14.278 3.788 128 H ALA 17 H ALA 17 -0.875 -11.031 2.745 129 HA ALA 17 HA ALA 17 -1.989 -11.398 5.393 130 HB1 ALA 17 HB1 ALA 17 -1.223 -9.077 5.776 131 HB2 ALA 17 HB2 ALA 17 0.050 -10.080 5.040 132 HB3 ALA 17 HB3 ALA 17 -0.858 -8.921 4.042 133 H ASN 18 H ASN 18 -3.673 -10.319 6.393 134 HA ASN 18 HA ASN 18 -5.868 -9.590 4.581 135 HB2 ASN 18 HB2 ASN 18 -7.244 -9.544 6.566 136 HB3 ASN 18 HB3 ASN 18 -6.256 -10.999 6.587 137 HD21 ASN 18 HD21 ASN 18 -5.768 -10.060 9.949 138 HD22 ASN 18 HD22 ASN 18 -6.712 -11.032 8.869 139 H GLU 19 H GLU 19 -7.298 -7.686 5.514 140 HA GLU 19 HA GLU 19 -5.889 -5.423 4.533 141 HB2 GLU 19 HB2 GLU 19 -8.512 -5.611 6.067 142 HB3 GLU 19 HB3 GLU 19 -7.925 -4.140 5.303 143 HG2 GLU 19 HG2 GLU 19 -9.362 -4.942 3.709 144 HG3 GLU 19 HG3 GLU 19 -7.824 -5.590 3.141 145 H GLN 20 H GLN 20 -6.430 -6.608 7.792 146 HA GLN 20 HA GLN 20 -5.705 -4.167 9.138 147 HB2 GLN 20 HB2 GLN 20 -5.719 -7.070 10.046 148 HB3 GLN 20 HB3 GLN 20 -5.341 -5.726 11.113 149 HG2 GLN 20 HG2 GLN 20 -7.553 -4.785 10.793 150 HG3 GLN 20 HG3 GLN 20 -7.945 -6.065 9.610 151 HE21 GLN 20 HE21 GLN 20 -9.295 -6.839 13.059 152 HE22 GLN 20 HE22 GLN 20 -9.365 -5.428 12.057 153 H GLU 21 H GLU 21 -3.891 -7.097 8.230 154 HA GLU 21 HA GLU 21 -1.399 -6.107 9.330 155 HB2 GLU 21 HB2 GLU 21 -2.027 -8.352 7.375 156 HB3 GLU 21 HB3 GLU 21 -0.410 -8.008 7.971 157 HG2 GLU 21 HG2 GLU 21 -2.789 -8.773 9.679 158 HG3 GLU 21 HG3 GLU 21 -1.489 -9.850 9.174 159 H LEU 22 H LEU 22 -2.991 -5.992 6.185 160 HA LEU 22 HA LEU 22 -0.770 -4.932 4.718 161 HB2 LEU 22 HB2 LEU 22 -3.768 -4.636 4.331 162 HB3 LEU 22 HB3 LEU 22 -2.563 -4.067 3.173 163 HG LEU 22 HG LEU 22 -2.880 -6.968 4.014 164 HD11 LEU 22 HD11 LEU 22 -3.966 -7.264 1.832 165 HD12 LEU 22 HD12 LEU 22 -4.887 -6.160 2.879 166 HD13 LEU 22 HD13 LEU 22 -3.891 -5.507 1.557 167 HD21 LEU 22 HD21 LEU 22 -1.466 -7.367 2.026 168 HD22 LEU 22 HD22 LEU 22 -1.355 -5.611 1.752 169 HD23 LEU 22 HD23 LEU 22 -0.630 -6.333 3.209 170 H LYS 23 H LYS 23 -3.330 -3.426 6.667 171 HA LYS 23 HA LYS 23 -2.605 -0.716 6.203 172 HB2 LYS 23 HB2 LYS 23 -4.670 -1.337 7.371 173 HB3 LYS 23 HB3 LYS 23 -3.749 -2.048 8.690 174 HG2 LYS 23 HG2 LYS 23 -2.885 0.139 9.329 175 HG3 LYS 23 HG3 LYS 23 -3.681 0.888 7.939 176 HD2 LYS 23 HD2 LYS 23 -5.885 0.222 8.827 177 HD3 LYS 23 HD3 LYS 23 -5.100 -0.557 10.208 178 HE2 LYS 23 HE2 LYS 23 -4.149 1.622 10.894 179 HE3 LYS 23 HE3 LYS 23 -4.941 2.401 9.523 180 HZ1 LYS 23 HZ1 LYS 23 -6.206 2.651 11.529 181 HZ2 LYS 23 HZ2 LYS 23 -7.056 1.743 10.444 182 HZ3 LYS 23 HZ3 LYS 23 -6.315 1.017 11.728 183 H LYS 24 H LYS 24 -1.418 -3.070 8.603 184 HA LYS 24 HA LYS 24 0.366 -1.338 9.956 185 HB2 LYS 24 HB2 LYS 24 0.501 -4.329 9.423 186 HB3 LYS 24 HB3 LYS 24 1.640 -3.487 10.464 187 HG2 LYS 24 HG2 LYS 24 -0.184 -2.808 11.956 188 HG3 LYS 24 HG3 LYS 24 -1.360 -3.594 10.892 189 HD2 LYS 24 HD2 LYS 24 -0.199 -5.771 11.261 190 HD3 LYS 24 HD3 LYS 24 0.907 -4.966 12.383 191 HE2 LYS 24 HE2 LYS 24 -0.968 -4.364 13.844 192 HE3 LYS 24 HE3 LYS 24 -2.114 -5.075 12.705 193 HZ1 LYS 24 HZ1 LYS 24 -1.618 -6.563 14.501 194 HZ2 LYS 24 HZ2 LYS 24 -1.078 -7.206 13.080 195 HZ3 LYS 24 HZ3 LYS 24 -0.008 -6.542 14.146 196 H GLY 25 H GLY 25 0.797 -3.238 6.986 197 HA2 GLY 25 HA2 GLY 25 3.528 -2.697 6.496 198 HA3 GLY 25 HA3 GLY 25 2.316 -2.969 5.257 199 H TYR 26 H TYR 26 0.609 -0.811 5.632 200 HA TYR 26 HA TYR 26 1.998 1.330 4.349 201 HB2 TYR 26 HB2 TYR 26 -0.405 1.019 4.052 202 HB3 TYR 26 HB3 TYR 26 -0.692 1.259 5.771 203 HD1 TYR 26 HD1 TYR 26 0.914 3.032 2.881 204 HD2 TYR 26 HD2 TYR 26 -1.410 3.326 6.475 205 HE1 TYR 26 HE1 TYR 26 0.622 5.455 2.495 206 HE2 TYR 26 HE2 TYR 26 -1.701 5.749 6.089 207 HH TYR 26 HH TYR 26 -0.587 7.287 3.128 208 H ARG 27 H ARG 27 0.917 0.897 7.720 209 HA ARG 27 HA ARG 27 1.547 3.445 8.693 210 HB2 ARG 27 HB2 ARG 27 1.731 0.733 10.039 211 HB3 ARG 27 HB3 ARG 27 1.954 2.248 10.900 212 HG2 ARG 27 HG2 ARG 27 -0.325 2.935 10.335 213 HG3 ARG 27 HG3 ARG 27 -0.557 1.427 9.418 214 HD2 ARG 27 HD2 ARG 27 -1.544 1.179 11.562 215 HD3 ARG 27 HD3 ARG 27 -0.079 0.173 11.496 216 HE ARG 27 HE ARG 27 0.461 2.778 12.580 217 HH11 ARG 27 HH11 ARG 27 -0.869 -0.380 13.354 218 HH12 ARG 27 HH12 ARG 27 -0.517 -0.249 15.062 219 HH21 ARG 27 HH21 ARG 27 0.914 2.937 14.799 220 HH22 ARG 27 HH22 ARG 27 0.492 1.628 15.882 221 H LYS 28 H LYS 28 3.670 0.592 8.383 222 HA LYS 28 HA LYS 28 6.022 1.872 9.395 223 HB2 LYS 28 HB2 LYS 28 5.814 -0.581 9.160 224 HB3 LYS 28 HB3 LYS 28 5.746 -0.421 7.411 225 HG2 LYS 28 HG2 LYS 28 8.036 0.459 7.375 226 HG3 LYS 28 HG3 LYS 28 8.109 0.367 9.140 227 HD2 LYS 28 HD2 LYS 28 7.785 -2.076 9.039 228 HD3 LYS 28 HD3 LYS 28 7.674 -1.995 7.274 229 HE2 LYS 28 HE2 LYS 28 9.979 -1.102 7.171 230 HE3 LYS 28 HE3 LYS 28 10.092 -1.182 8.931 231 HZ1 LYS 28 HZ1 LYS 28 11.097 -3.082 7.895 232 HZ2 LYS 28 HZ2 LYS 28 9.791 -3.559 8.784 233 HZ3 LYS 28 HZ3 LYS 28 9.687 -3.484 7.140 234 H ALA 29 H ALA 29 4.926 1.311 6.032 235 HA ALA 29 HA ALA 29 7.142 2.679 4.861 236 HB1 ALA 29 HB1 ALA 29 5.781 2.662 2.796 237 HB2 ALA 29 HB2 ALA 29 5.766 1.079 3.607 238 HB3 ALA 29 HB3 ALA 29 4.362 2.161 3.744 239 H ALA 30 H ALA 30 3.998 3.768 6.008 240 HA ALA 30 HA ALA 30 3.989 6.307 4.725 241 HB1 ALA 30 HB1 ALA 30 2.347 6.946 6.461 242 HB2 ALA 30 HB2 ALA 30 1.990 5.343 5.774 243 HB3 ALA 30 HB3 ALA 30 2.752 5.475 7.376 244 H LEU 31 H LEU 31 5.253 5.279 7.893 245 HA LEU 31 HA LEU 31 6.272 7.883 8.591 246 HB2 LEU 31 HB2 LEU 31 7.011 5.084 9.508 247 HB3 LEU 31 HB3 LEU 31 7.702 6.554 10.201 248 HG LEU 31 HG LEU 31 4.745 5.855 10.234 249 HD11 LEU 31 HD11 LEU 31 5.119 5.357 12.609 250 HD12 LEU 31 HD12 LEU 31 6.059 4.275 11.552 251 HD13 LEU 31 HD13 LEU 31 6.864 5.625 12.390 252 HD21 LEU 31 HD21 LEU 31 4.637 7.706 11.868 253 HD22 LEU 31 HD22 LEU 31 6.378 8.008 11.640 254 HD23 LEU 31 HD23 LEU 31 5.243 8.276 10.295 255 H LYS 32 H LYS 32 7.641 5.048 6.944 256 HA LYS 32 HA LYS 32 10.333 5.929 6.843 257 HB2 LYS 32 HB2 LYS 32 9.605 3.634 6.254 258 HB3 LYS 32 HB3 LYS 32 8.796 4.248 4.819 259 HG2 LYS 32 HG2 LYS 32 10.937 4.954 3.870 260 HG3 LYS 32 HG3 LYS 32 11.778 4.427 5.336 261 HD2 LYS 32 HD2 LYS 32 11.021 2.106 4.942 262 HD3 LYS 32 HD3 LYS 32 10.167 2.630 3.483 263 HE2 LYS 32 HE2 LYS 32 12.307 3.366 2.490 264 HE3 LYS 32 HE3 LYS 32 13.164 2.854 3.946 265 HZ1 LYS 32 HZ1 LYS 32 13.280 1.202 2.231 266 HZ2 LYS 32 HZ2 LYS 32 12.435 0.610 3.518 267 HZ3 LYS 32 HZ3 LYS 32 11.636 1.087 2.156 268 H TYR 33 H TYR 33 7.602 6.572 4.659 269 HA TYR 33 HA TYR 33 9.396 8.375 3.094 270 HB2 TYR 33 HB2 TYR 33 6.762 7.070 2.291 271 HB3 TYR 33 HB3 TYR 33 7.714 8.145 1.276 272 HD1 TYR 33 HD1 TYR 33 7.052 4.792 2.091 273 HD2 TYR 33 HD2 TYR 33 10.236 7.420 0.927 274 HE1 TYR 33 HE1 TYR 33 8.343 2.858 1.250 275 HE2 TYR 33 HE2 TYR 33 11.526 5.488 0.086 276 HH TYR 33 HH TYR 33 11.476 3.301 -0.369 277 H HIS 34 H HIS 34 7.791 8.827 5.671 278 HA HIS 34 HA HIS 34 5.528 10.430 5.217 279 HB2 HIS 34 HB2 HIS 34 6.537 9.618 7.449 280 HB3 HIS 34 HB3 HIS 34 7.574 11.036 7.365 281 HD2 HIS 34 HD2 HIS 34 4.004 10.093 8.419 282 HE1 HIS 34 HE1 HIS 34 4.244 14.348 8.436 283 HE2 HIS 34 HE2 HIS 34 2.851 12.322 9.110 284 HA PRO 35 HA PRO 35 6.809 13.863 2.934 285 HB2 PRO 35 HB2 PRO 35 4.824 15.280 4.773 286 HB3 PRO 35 HB3 PRO 35 5.005 15.428 3.019 287 HG2 PRO 35 HG2 PRO 35 3.045 13.894 3.944 288 HG3 PRO 35 HG3 PRO 35 4.019 13.298 2.597 289 HD2 PRO 35 HD2 PRO 35 4.166 12.568 5.541 290 HD3 PRO 35 HD3 PRO 35 4.351 11.506 4.089 291 H ASP 36 H ASP 36 6.538 14.037 6.474 292 HA ASP 36 HA ASP 36 8.276 16.417 6.588 293 HB2 ASP 36 HB2 ASP 36 6.871 14.800 8.749 294 HB3 ASP 36 HB3 ASP 36 7.895 16.191 9.079 295 H LYS 37 H LYS 37 8.660 13.081 6.444 296 HA LYS 37 HA LYS 37 10.924 12.768 8.194 297 HB2 LYS 37 HB2 LYS 37 9.549 10.874 7.305 298 HB3 LYS 37 HB3 LYS 37 10.194 11.182 5.699 299 HG2 LYS 37 HG2 LYS 37 11.461 9.392 6.525 300 HG3 LYS 37 HG3 LYS 37 12.514 10.799 6.717 301 HD2 LYS 37 HD2 LYS 37 11.876 10.975 9.089 302 HD3 LYS 37 HD3 LYS 37 10.777 9.600 8.906 303 HE2 LYS 37 HE2 LYS 37 12.684 8.146 8.319 304 HE3 LYS 37 HE3 LYS 37 13.787 9.515 8.478 305 HZ1 LYS 37 HZ1 LYS 37 13.758 8.171 10.448 306 HZ2 LYS 37 HZ2 LYS 37 13.165 9.672 10.791 307 HZ3 LYS 37 HZ3 LYS 37 12.136 8.393 10.641 308 HA PRO 38 HA PRO 38 13.848 15.192 6.031 309 HB2 PRO 38 HB2 PRO 38 15.699 13.238 7.465 310 HB3 PRO 38 HB3 PRO 38 15.842 14.994 7.318 311 HG2 PRO 38 HG2 PRO 38 14.904 14.003 9.599 312 HG3 PRO 38 HG3 PRO 38 14.099 15.408 8.892 313 HD2 PRO 38 HD2 PRO 38 13.270 12.484 8.823 314 HD3 PRO 38 HD3 PRO 38 12.243 13.959 9.044 315 H THR 39 H THR 39 14.036 11.633 6.201 316 HA THR 39 HA THR 39 15.236 11.634 3.464 317 HB THR 39 HB THR 39 16.028 9.324 3.992 318 HG1 THR 39 HG1 THR 39 14.908 8.483 5.604 319 HG21 THR 39 HG21 THR 39 17.802 9.986 5.567 320 HG22 THR 39 HG22 THR 39 17.515 11.263 4.361 321 HG23 THR 39 HG23 THR 39 16.874 11.438 6.011 322 H GLY 40 H GLY 40 12.439 12.006 3.976 323 HA2 GLY 40 HA2 GLY 40 11.194 9.406 3.303 324 HA3 GLY 40 HA3 GLY 40 10.352 10.902 3.654 325 H ASP 41 H ASP 41 9.087 10.348 1.726 326 HA ASP 41 HA ASP 41 10.136 11.669 -0.645 327 HB2 ASP 41 HB2 ASP 41 11.138 9.398 -0.884 328 HB3 ASP 41 HB3 ASP 41 9.533 8.687 -0.796 329 H THR 42 H THR 42 8.474 12.924 -1.104 330 HA THR 42 HA THR 42 5.832 12.392 -0.162 331 HB THR 42 HB THR 42 6.783 14.375 -2.273 332 HG1 THR 42 HG1 THR 42 6.398 15.764 -0.297 333 HG21 THR 42 HG21 THR 42 4.681 15.563 -1.784 334 HG22 THR 42 HG22 THR 42 4.357 13.936 -2.429 335 HG23 THR 42 HG23 THR 42 4.192 14.253 -0.686 336 H GLU 43 H GLU 43 7.302 12.122 -3.397 337 HA GLU 43 HA GLU 43 4.940 11.393 -4.791 338 HB2 GLU 43 HB2 GLU 43 7.063 12.029 -5.904 339 HB3 GLU 43 HB3 GLU 43 7.819 10.552 -5.323 340 HG2 GLU 43 HG2 GLU 43 6.285 9.203 -6.657 341 HG3 GLU 43 HG3 GLU 43 5.437 10.655 -7.187 342 H LYS 44 H LYS 44 7.417 9.352 -3.218 343 HA LYS 44 HA LYS 44 6.099 6.875 -3.831 344 HB2 LYS 44 HB2 LYS 44 8.512 7.086 -3.190 345 HB3 LYS 44 HB3 LYS 44 8.020 7.503 -1.553 346 HG2 LYS 44 HG2 LYS 44 8.677 5.171 -1.673 347 HG3 LYS 44 HG3 LYS 44 6.950 5.293 -1.308 348 HD2 LYS 44 HD2 LYS 44 7.311 3.554 -2.975 349 HD3 LYS 44 HD3 LYS 44 6.432 4.904 -3.709 350 HE2 LYS 44 HE2 LYS 44 8.519 5.753 -4.695 351 HE3 LYS 44 HE3 LYS 44 9.431 4.451 -3.924 352 HZ1 LYS 44 HZ1 LYS 44 8.931 3.949 -6.202 353 HZ2 LYS 44 HZ2 LYS 44 8.161 2.876 -5.213 354 HZ3 LYS 44 HZ3 LYS 44 7.310 4.091 -5.935 355 H PHE 45 H PHE 45 5.903 9.130 -1.110 356 HA PHE 45 HA PHE 45 4.301 7.556 0.616 357 HB2 PHE 45 HB3 PHE 45 5.351 9.762 1.194 358 HB3 PHE 45 HB2 PHE 45 4.156 10.568 0.190 359 HD1 PHE 45 HD1 PHE 45 2.007 11.063 1.007 360 HD2 PHE 45 HD2 PHE 45 4.567 8.444 3.206 361 HE1 PHE 45 HE1 PHE 45 0.453 11.159 2.928 362 HE2 PHE 45 HE2 PHE 45 3.015 8.535 5.126 363 HZ PHE 45 HZ PHE 45 0.957 9.895 4.988 364 H LYS 46 H LYS 46 3.396 9.677 -2.098 365 HA LYS 46 HA LYS 46 0.569 9.349 -1.805 366 HB2 LYS 46 HB2 LYS 46 2.306 10.020 -4.208 367 HB3 LYS 46 HB3 LYS 46 0.550 9.989 -4.277 368 HG2 LYS 46 HG2 LYS 46 0.432 11.756 -2.574 369 HG3 LYS 46 HG3 LYS 46 2.198 11.771 -2.461 370 HD2 LYS 46 HD2 LYS 46 2.349 12.412 -4.844 371 HD3 LYS 46 HD3 LYS 46 0.584 12.384 -4.965 372 HE2 LYS 46 HE2 LYS 46 0.432 14.173 -3.272 373 HE3 LYS 46 HE3 LYS 46 2.190 14.192 -3.121 374 HZ1 LYS 46 HZ1 LYS 46 1.411 15.917 -4.572 375 HZ2 LYS 46 HZ2 LYS 46 2.322 14.841 -5.427 376 HZ3 LYS 46 HZ3 LYS 46 0.680 14.825 -5.568 377 H GLU 47 H GLU 47 3.039 7.479 -3.522 378 HA GLU 47 HA GLU 47 1.225 5.796 -4.955 379 HB2 GLU 47 HB2 GLU 47 4.099 5.388 -4.046 380 HB3 GLU 47 HB3 GLU 47 3.235 4.223 -5.039 381 HG2 GLU 47 HG2 GLU 47 2.925 5.937 -6.783 382 HG3 GLU 47 HG3 GLU 47 3.796 7.101 -5.787 383 H ILE 48 H ILE 48 2.820 5.446 -1.788 384 HA ILE 48 HA ILE 48 1.642 2.825 -1.326 385 HB ILE 48 HB ILE 48 2.596 3.045 0.949 386 HG12 ILE 48 HG12 ILE 48 3.444 5.833 0.132 387 HG13 ILE 48 HG13 ILE 48 2.068 5.487 1.167 388 HG21 ILE 48 HG21 ILE 48 4.961 3.268 0.300 389 HG22 ILE 48 HG22 ILE 48 4.056 2.316 -0.899 390 HG23 ILE 48 HG23 ILE 48 4.473 4.011 -1.240 391 HD11 ILE 48 HD11 ILE 48 4.023 6.089 2.481 392 HD12 ILE 48 HD12 ILE 48 3.550 4.404 2.800 393 HD13 ILE 48 HD13 ILE 48 4.946 4.755 1.752 394 H SER 49 H SER 49 0.660 6.109 -0.865 395 HA SER 49 HA SER 49 -1.384 5.564 1.113 396 HB2 SER 49 HB2 SER 49 -0.999 7.816 -0.883 397 HB3 SER 49 HB3 SER 49 -2.303 7.776 0.295 398 HG SER 49 HG SER 49 0.460 7.919 0.694 399 H GLU 50 H GLU 50 -1.322 5.743 -2.449 400 HA GLU 50 HA GLU 50 -4.045 4.979 -2.849 401 HB2 GLU 50 HB2 GLU 50 -1.518 4.656 -4.490 402 HB3 GLU 50 HB3 GLU 50 -3.047 3.981 -5.037 403 HG2 GLU 50 HG2 GLU 50 -4.065 6.201 -5.020 404 HG3 GLU 50 HG3 GLU 50 -2.571 6.900 -4.399 405 H ALA 51 H ALA 51 -1.069 3.061 -2.425 406 HA ALA 51 HA ALA 51 -2.234 0.498 -2.654 407 HB1 ALA 51 HB1 ALA 51 -0.338 -0.276 -1.265 408 HB2 ALA 51 HB2 ALA 51 0.191 0.861 -2.526 409 HB3 ALA 51 HB3 ALA 51 0.032 1.411 -0.842 410 H PHE 52 H PHE 52 -1.948 2.639 0.180 411 HA PHE 52 HA PHE 52 -3.115 0.867 2.069 412 HB2 PHE 52 HB3 PHE 52 -1.997 2.857 2.838 413 HB3 PHE 52 HB2 PHE 52 -3.052 3.900 1.898 414 HD1 PHE 52 HD1 PHE 52 -3.384 1.219 4.498 415 HD2 PHE 52 HD2 PHE 52 -4.676 5.028 3.054 416 HE1 PHE 52 HE1 PHE 52 -4.895 1.443 6.444 417 HE2 PHE 52 HE2 PHE 52 -6.186 5.256 4.999 418 HZ PHE 52 HZ PHE 52 -6.295 3.462 6.693 419 H GLU 53 H GLU 53 -4.676 3.571 0.297 420 HA GLU 53 HA GLU 53 -7.272 3.118 1.284 421 HB2 GLU 53 HB2 GLU 53 -6.715 5.166 0.101 422 HB3 GLU 53 HB3 GLU 53 -6.346 4.278 -1.372 423 HG2 GLU 53 HG2 GLU 53 -8.473 5.333 -1.624 424 HG3 GLU 53 HG3 GLU 53 -8.722 3.591 -1.525 425 H ILE 54 H ILE 54 -5.700 1.797 -1.629 426 HA ILE 54 HA ILE 54 -8.019 0.390 -2.558 427 HB ILE 54 HB ILE 54 -5.047 0.047 -3.104 428 HG12 ILE 54 HG12 ILE 54 -7.262 1.018 -4.918 429 HG13 ILE 54 HG13 ILE 54 -6.302 2.090 -3.913 430 HG21 ILE 54 HG21 ILE 54 -5.694 -1.474 -4.929 431 HG22 ILE 54 HG22 ILE 54 -6.157 -2.141 -3.346 432 HG23 ILE 54 HG23 ILE 54 -7.391 -1.402 -4.394 433 HD11 ILE 54 HD11 ILE 54 -5.442 2.016 -6.186 434 HD12 ILE 54 HD12 ILE 54 -4.254 1.341 -5.046 435 HD13 ILE 54 HD13 ILE 54 -5.227 0.255 -6.065 436 H LEU 55 H LEU 55 -5.253 -0.572 -0.528 437 HA LEU 55 HA LEU 55 -6.255 -3.344 -0.458 438 HB2 LEU 55 HB2 LEU 55 -3.793 -2.058 0.778 439 HB3 LEU 55 HB3 LEU 55 -4.169 -3.783 0.823 440 HG LEU 55 HG LEU 55 -3.595 -2.161 -1.682 441 HD11 LEU 55 HD11 LEU 55 -1.513 -3.461 -1.730 442 HD12 LEU 55 HD12 LEU 55 -1.633 -2.465 -0.261 443 HD13 LEU 55 HD13 LEU 55 -1.948 -4.214 -0.178 444 HD21 LEU 55 HD21 LEU 55 -3.600 -4.372 -2.786 445 HD22 LEU 55 HD22 LEU 55 -4.065 -5.140 -1.247 446 HD23 LEU 55 HD23 LEU 55 -5.185 -4.017 -2.056 447 H ASN 56 H ASN 56 -6.737 -0.506 1.279 448 HA ASN 56 HA ASN 56 -7.259 -1.808 3.851 449 HB2 ASN 56 HB2 ASN 56 -6.594 0.580 3.692 450 HB3 ASN 56 HB3 ASN 56 -8.086 0.929 2.831 451 HD21 ASN 56 HD21 ASN 56 -9.821 1.512 5.747 452 HD22 ASN 56 HD22 ASN 56 -9.541 1.852 4.072 453 H ASP 57 H ASP 57 -9.346 -0.250 1.386 454 HA ASP 57 HA ASP 57 -11.746 -1.490 2.381 455 HB2 ASP 57 HB2 ASP 57 -11.718 0.567 0.963 456 HB3 ASP 57 HB3 ASP 57 -11.154 -0.394 -0.398 457 HA PRO 58 HA PRO 58 -10.759 -5.595 1.113 458 HB2 PRO 58 HB2 PRO 58 -13.779 -5.772 1.513 459 HB3 PRO 58 HB3 PRO 58 -12.525 -6.907 2.032 460 HG2 PRO 58 HG2 PRO 58 -13.527 -5.244 3.843 461 HG3 PRO 58 HG3 PRO 58 -11.780 -5.493 3.802 462 HD2 PRO 58 HD2 PRO 58 -13.414 -3.175 2.710 463 HD3 PRO 58 HD3 PRO 58 -11.820 -3.147 3.566 464 H GLN 59 H GLN 59 -13.478 -3.663 -0.129 465 HA GLN 59 HA GLN 59 -14.007 -5.321 -2.422 466 HB2 GLN 59 HB2 GLN 59 -15.655 -3.713 -1.478 467 HB3 GLN 59 HB3 GLN 59 -14.627 -2.375 -1.970 468 HG2 GLN 59 HG2 GLN 59 -16.420 -2.634 -3.543 469 HG3 GLN 59 HG3 GLN 59 -14.881 -3.078 -4.333 470 HE21 GLN 59 HE21 GLN 59 -16.224 -6.059 -5.464 471 HE22 GLN 59 HE22 GLN 59 -15.269 -4.645 -5.754 472 H LYS 60 H LYS 60 -12.109 -2.340 -1.950 473 HA LYS 60 HA LYS 60 -11.329 -2.160 -4.723 474 HB2 LYS 60 HB2 LYS 60 -10.200 -0.915 -2.190 475 HB3 LYS 60 HB3 LYS 60 -9.576 -0.562 -3.795 476 HG2 LYS 60 HG2 LYS 60 -11.793 0.301 -4.468 477 HG3 LYS 60 HG3 LYS 60 -12.407 -0.040 -2.844 478 HD2 LYS 60 HD2 LYS 60 -10.692 1.490 -1.892 479 HD3 LYS 60 HD3 LYS 60 -10.131 1.857 -3.530 480 HE2 LYS 60 HE2 LYS 60 -12.391 2.719 -4.096 481 HE3 LYS 60 HE3 LYS 60 -12.925 2.383 -2.447 482 HZ1 LYS 60 HZ1 LYS 60 -12.294 4.666 -2.723 483 HZ2 LYS 60 HZ2 LYS 60 -11.270 3.931 -1.658 484 HZ3 LYS 60 HZ3 LYS 60 -10.772 4.246 -3.198 485 H ARG 61 H ARG 61 -9.940 -3.677 -1.852 486 HA ARG 61 HA ARG 61 -7.425 -4.400 -2.943 487 HB2 ARG 61 HB2 ARG 61 -7.986 -4.682 -0.569 488 HB3 ARG 61 HB3 ARG 61 -9.182 -5.905 -0.972 489 HG2 ARG 61 HG2 ARG 61 -7.329 -7.314 -1.913 490 HG3 ARG 61 HG3 ARG 61 -6.181 -6.110 -1.275 491 HD2 ARG 61 HD2 ARG 61 -6.506 -8.036 0.208 492 HD3 ARG 61 HD3 ARG 61 -6.963 -6.488 0.957 493 HE ARG 61 HE ARG 61 -9.064 -7.311 1.225 494 HH11 ARG 61 HH11 ARG 61 -7.547 -9.053 -1.422 495 HH12 ARG 61 HH12 ARG 61 -8.901 -10.137 -1.650 496 HH21 ARG 61 HH21 ARG 61 -10.815 -8.725 0.919 497 HH22 ARG 61 HH22 ARG 61 -10.751 -9.951 -0.326 498 H GLU 62 H GLU 62 -10.560 -6.116 -3.011 499 HA GLU 62 HA GLU 62 -9.634 -8.347 -4.537 500 HB2 GLU 62 HB2 GLU 62 -12.373 -7.095 -4.158 501 HB3 GLU 62 HB3 GLU 62 -12.131 -8.512 -5.168 502 HG2 GLU 62 HG2 GLU 62 -11.374 -8.356 -2.243 503 HG3 GLU 62 HG3 GLU 62 -12.900 -8.995 -2.850 504 H ILE 63 H ILE 63 -11.058 -5.226 -5.489 505 HA ILE 63 HA ILE 63 -11.179 -5.731 -8.281 506 HB ILE 63 HB ILE 63 -10.826 -3.153 -6.706 507 HG12 ILE 63 HG12 ILE 63 -13.226 -4.192 -8.220 508 HG13 ILE 63 HG13 ILE 63 -12.954 -4.504 -6.513 509 HG21 ILE 63 HG21 ILE 63 -11.378 -1.972 -8.795 510 HG22 ILE 63 HG22 ILE 63 -9.851 -2.869 -8.953 511 HG23 ILE 63 HG23 ILE 63 -11.341 -3.514 -9.682 512 HD11 ILE 63 HD11 ILE 63 -14.465 -2.626 -6.831 513 HD12 ILE 63 HD12 ILE 63 -12.954 -2.090 -6.057 514 HD13 ILE 63 HD13 ILE 63 -13.231 -1.773 -7.788 515 H TYR 64 H TYR 64 -8.554 -4.458 -6.243 516 HA TYR 64 HA TYR 64 -6.678 -4.042 -8.352 517 HB2 TYR 64 HB2 TYR 64 -6.307 -3.130 -6.115 518 HB3 TYR 64 HB3 TYR 64 -6.258 -4.745 -5.422 519 HD1 TYR 64 HD1 TYR 64 -4.579 -2.876 -8.214 520 HD2 TYR 64 HD2 TYR 64 -4.184 -5.560 -4.889 521 HE1 TYR 64 HE1 TYR 64 -2.134 -2.955 -8.567 522 HE2 TYR 64 HE2 TYR 64 -1.738 -5.639 -5.243 523 HH TYR 64 HH TYR 64 -0.212 -3.888 -7.932 524 H ASP 65 H ASP 65 -7.262 -6.876 -6.257 525 HA ASP 65 HA ASP 65 -5.104 -8.408 -7.354 526 HB2 ASP 65 HB2 ASP 65 -7.614 -9.231 -5.847 527 HB3 ASP 65 HB3 ASP 65 -6.346 -10.362 -6.299 528 H GLN 66 H GLN 66 -8.347 -7.780 -8.429 529 HA GLN 66 HA GLN 66 -8.312 -10.154 -10.208 530 HB2 GLN 66 HB2 GLN 66 -10.498 -8.163 -9.488 531 HB3 GLN 66 HB3 GLN 66 -10.696 -9.426 -10.694 532 HG2 GLN 66 HG2 GLN 66 -10.333 -11.145 -9.013 533 HG3 GLN 66 HG3 GLN 66 -10.039 -9.889 -7.778 534 HE21 GLN 66 HE21 GLN 66 -13.394 -10.251 -6.883 535 HE22 GLN 66 HE22 GLN 66 -11.733 -10.461 -6.441 536 H TYR 67 H TYR 67 -8.403 -6.606 -10.311 537 HA TYR 67 HA TYR 67 -8.489 -6.782 -13.293 538 HB2 TYR 67 HB2 TYR 67 -9.486 -4.591 -11.428 539 HB3 TYR 67 HB3 TYR 67 -9.464 -4.471 -13.182 540 HD1 TYR 67 HD1 TYR 67 -10.781 -6.226 -14.522 541 HD2 TYR 67 HD2 TYR 67 -11.295 -5.556 -10.315 542 HE1 TYR 67 HE1 TYR 67 -13.006 -7.297 -14.622 543 HE2 TYR 67 HE2 TYR 67 -13.519 -6.628 -10.416 544 HH TYR 67 HH TYR 67 -15.083 -7.499 -11.737 545 H GLY 68 H GLY 68 -7.262 -4.704 -10.643 546 HA2 GLY 68 HA2 GLY 68 -4.646 -4.766 -10.842 547 HA3 GLY 68 HA3 GLY 68 -4.946 -3.997 -12.389 548 H LEU 69 H LEU 69 -3.500 -2.371 -11.185 549 HA LEU 69 HA LEU 69 -4.423 -1.096 -8.810 550 HB2 LEU 69 HB2 LEU 69 -2.059 -1.131 -9.704 551 HB3 LEU 69 HB3 LEU 69 -2.556 0.065 -10.907 552 HG LEU 69 HG LEU 69 -2.891 0.609 -7.952 553 HD11 LEU 69 HD11 LEU 69 -0.684 1.680 -7.988 554 HD12 LEU 69 HD12 LEU 69 -0.568 -0.070 -8.283 555 HD13 LEU 69 HD13 LEU 69 -0.415 1.072 -9.640 556 HD21 LEU 69 HD21 LEU 69 -2.715 2.940 -8.756 557 HD22 LEU 69 HD22 LEU 69 -2.475 2.350 -10.418 558 HD23 LEU 69 HD23 LEU 69 -4.027 2.072 -9.591 559 H GLU 70 H GLU 70 -4.465 0.024 -12.214 560 HA GLU 70 HA GLU 70 -5.586 2.557 -11.725 561 HB2 GLU 70 HB2 GLU 70 -4.646 1.938 -13.899 562 HB3 GLU 70 HB3 GLU 70 -5.901 0.730 -14.141 563 HG2 GLU 70 HG2 GLU 70 -6.415 2.651 -15.463 564 HG3 GLU 70 HG3 GLU 70 -7.600 2.534 -14.164 565 H ALA 71 H ALA 71 -7.228 -0.540 -12.390 566 HA ALA 71 HA ALA 71 -9.868 0.529 -12.400 567 HB1 ALA 71 HB1 ALA 71 -10.589 -1.808 -12.035 568 HB2 ALA 71 HB2 ALA 71 -9.336 -1.694 -13.293 569 HB3 ALA 71 HB3 ALA 71 -8.909 -2.260 -11.662 570 H ALA 72 H ALA 72 -7.776 -0.602 -9.790 571 HA ALA 72 HA ALA 72 -9.826 -0.738 -7.796 572 HB1 ALA 72 HB1 ALA 72 -7.949 -0.746 -6.184 573 HB2 ALA 72 HB2 ALA 72 -7.662 -1.867 -7.536 574 HB3 ALA 72 HB3 ALA 72 -6.834 -0.294 -7.494 575 H ARG 73 H ARG 73 -7.449 1.809 -8.592 576 HA ARG 73 HA ARG 73 -8.466 3.543 -6.485 577 HB2 ARG 73 HB2 ARG 73 -6.837 5.147 -7.285 578 HB3 ARG 73 HB3 ARG 73 -6.087 3.561 -7.191 579 HG2 ARG 73 HG2 ARG 73 -6.279 3.291 -9.610 580 HG3 ARG 73 HG3 ARG 73 -7.104 4.863 -9.729 581 HD2 ARG 73 HD2 ARG 73 -5.132 5.961 -8.829 582 HD3 ARG 73 HD3 ARG 73 -4.310 4.387 -8.719 583 HE ARG 73 HE ARG 73 -5.267 4.839 -11.370 584 HH11 ARG 73 HH11 ARG 73 -2.754 5.827 -9.123 585 HH12 ARG 73 HH12 ARG 73 -1.609 6.227 -10.384 586 HH21 ARG 73 HH21 ARG 73 -3.773 5.363 -12.998 587 HH22 ARG 73 HH22 ARG 73 -2.185 5.964 -12.578 588 H SER 74 H SER 74 -9.333 2.871 -9.732 589 HA SER 74 HA SER 74 -10.685 5.412 -10.203 590 HB2 SER 74 HB2 SER 74 -11.585 4.345 -12.165 591 HB3 SER 74 HB3 SER 74 -9.887 3.915 -12.032 592 HG SER 74 HG SER 74 -12.158 2.393 -11.707 593 H GLY 75 H GLY 75 -11.264 2.818 -8.164 594 HA2 GLY 75 HA2 GLY 75 -13.129 2.479 -6.762 595 HA3 GLY 75 HA3 GLY 75 -14.047 3.642 -7.702 596 H GLY 76 H GLY 76 -12.277 1.018 -9.235 597 HA2 GLY 76 HA2 GLY 76 -13.359 -1.145 -9.806 598 HA3 GLY 76 HA3 GLY 76 -14.890 -0.293 -9.897 599 HA PRO 77 HA PRO 77 -12.465 -0.151 -13.985 600 HB2 PRO 77 HB2 PRO 77 -13.207 -2.472 -15.242 601 HB3 PRO 77 HB3 PRO 77 -11.789 -2.387 -14.189 602 HG2 PRO 77 HG2 PRO 77 -14.605 -3.348 -13.526 603 HG3 PRO 77 HG3 PRO 77 -13.068 -4.140 -13.170 604 HD2 PRO 77 HD2 PRO 77 -14.357 -2.629 -11.300 605 HD3 PRO 77 HD3 PRO 77 -12.551 -2.681 -11.395 606 H SER 78 H SER 78 -13.482 0.518 -15.910 607 HA SER 78 HA SER 78 -15.201 1.489 -17.100 608 HB2 SER 78 HB2 SER 78 -15.555 -0.955 -17.564 609 HB3 SER 78 HB3 SER 78 -16.727 -0.994 -16.254 610 HG SER 78 HG SER 78 -17.049 1.031 -18.068 611 H PHE 79 H PHE 79 -17.985 0.214 -15.855 612 HA PHE 79 HA PHE 79 -18.349 2.549 -14.025 613 HB2 PHE 79 HB3 PHE 79 -20.422 1.055 -15.683 614 HB3 PHE 79 HB2 PHE 79 -20.778 2.358 -14.560 615 HD1 PHE 79 HD1 PHE 79 -19.808 1.503 -17.895 616 HD2 PHE 79 HD2 PHE 79 -19.746 4.648 -15.004 617 HE1 PHE 79 HE1 PHE 79 -19.447 3.152 -19.701 618 HE2 PHE 79 HE2 PHE 79 -19.388 6.301 -16.808 619 HZ PHE 79 HZ PHE 79 -19.237 5.552 -19.157 620 H GLY 80 H GLY 80 -17.253 -0.128 -13.387 621 HA2 GLY 80 HA2 GLY 80 -17.779 -0.695 -10.917 622 HA3 GLY 80 HA3 GLY 80 -19.383 -1.082 -11.513 623 HA PRO 81 HA PRO 81 -16.189 -4.528 -12.313 624 HB2 PRO 81 HB2 PRO 81 -15.854 -5.804 -9.910 625 HB3 PRO 81 HB3 PRO 81 -14.847 -4.433 -10.392 626 HG2 PRO 81 HG2 PRO 81 -17.317 -4.456 -8.605 627 HG3 PRO 81 HG3 PRO 81 -15.760 -3.676 -8.309 628 HD2 PRO 81 HD2 PRO 81 -17.887 -2.287 -9.311 629 HD3 PRO 81 HD3 PRO 81 -16.187 -1.909 -9.805 Start of MODEL 10 1 HA SER 1 HA SER 1 -2.932 -15.486 -3.633 2 HB2 SER 1 HB2 SER 1 -1.230 -13.793 -3.248 3 HB3 SER 1 HB3 SER 1 -0.472 -15.366 -3.440 4 HG SER 1 HG SER 1 0.409 -14.760 -5.207 5 H VAL 2 H VAL 2 -1.374 -13.156 -5.723 6 HA VAL 2 HA VAL 2 -4.070 -12.194 -6.578 7 HB VAL 2 HB VAL 2 -3.279 -9.874 -6.248 8 HG11 VAL 2 HG11 VAL 2 -3.316 -9.844 -3.801 9 HG12 VAL 2 HG12 VAL 2 -4.535 -10.951 -4.472 10 HG13 VAL 2 HG13 VAL 2 -3.031 -11.600 -3.777 11 HG21 VAL 2 HG21 VAL 2 -1.179 -9.467 -5.005 12 HG22 VAL 2 HG22 VAL 2 -0.832 -11.213 -5.025 13 HG23 VAL 2 HG23 VAL 2 -0.865 -10.294 -6.549 14 H LYS 3 H LYS 3 -4.022 -10.738 -8.447 15 HA LYS 3 HA LYS 3 -2.372 -11.812 -10.554 16 HB2 LYS 3 HB2 LYS 3 -4.652 -10.956 -10.963 17 HB3 LYS 3 HB3 LYS 3 -4.146 -9.338 -10.498 18 HG2 LYS 3 HG2 LYS 3 -2.622 -9.232 -12.416 19 HG3 LYS 3 HG3 LYS 3 -3.061 -10.886 -12.869 20 HD2 LYS 3 HD2 LYS 3 -5.380 -10.211 -13.244 21 HD3 LYS 3 HD3 LYS 3 -5.026 -8.574 -12.674 22 HE2 LYS 3 HE2 LYS 3 -3.420 -8.281 -14.544 23 HE3 LYS 3 HE3 LYS 3 -3.805 -9.905 -15.121 24 HZ1 LYS 3 HZ1 LYS 3 -5.038 -8.237 -16.295 25 HZ2 LYS 3 HZ2 LYS 3 -6.074 -9.192 -15.437 26 HZ3 LYS 3 HZ3 LYS 3 -5.714 -7.675 -14.900 27 H GLU 4 H GLU 4 -2.560 -8.490 -9.215 28 HA GLU 4 HA GLU 4 0.265 -8.121 -10.105 29 HB2 GLU 4 HB2 GLU 4 -1.916 -6.074 -9.534 30 HB3 GLU 4 HB3 GLU 4 -0.249 -5.666 -9.911 31 HG2 GLU 4 HG2 GLU 4 -0.480 -6.757 -12.109 32 HG3 GLU 4 HG3 GLU 4 -2.155 -7.156 -11.730 33 H THR 5 H THR 5 1.793 -7.227 -8.738 34 HA THR 5 HA THR 5 1.038 -7.349 -5.847 35 HB THR 5 HB THR 5 3.363 -8.105 -5.396 36 HG1 THR 5 HG1 THR 5 4.674 -7.591 -6.998 37 HG21 THR 5 HG21 THR 5 3.137 -10.378 -6.321 38 HG22 THR 5 HG22 THR 5 1.574 -9.780 -5.715 39 HG23 THR 5 HG23 THR 5 1.904 -9.795 -7.463 40 H LYS 6 H LYS 6 1.471 -5.156 -8.082 41 HA LYS 6 HA LYS 6 3.780 -3.671 -7.434 42 HB2 LYS 6 HB2 LYS 6 2.396 -3.262 -9.443 43 HB3 LYS 6 HB3 LYS 6 1.089 -2.657 -8.436 44 HG2 LYS 6 HG2 LYS 6 2.470 -0.772 -7.714 45 HG3 LYS 6 HG3 LYS 6 3.839 -1.398 -8.643 46 HD2 LYS 6 HD2 LYS 6 2.537 -1.169 -10.730 47 HD3 LYS 6 HD3 LYS 6 1.158 -0.557 -9.807 48 HE2 LYS 6 HE2 LYS 6 2.485 1.372 -9.058 49 HE3 LYS 6 HE3 LYS 6 3.901 0.752 -9.912 50 HZ1 LYS 6 HZ1 LYS 6 2.769 2.427 -11.178 51 HZ2 LYS 6 HZ2 LYS 6 2.687 0.982 -11.970 52 HZ3 LYS 6 HZ3 LYS 6 1.366 1.562 -11.172 53 H LEU 7 H LEU 7 0.465 -3.370 -6.139 54 HA LEU 7 HA LEU 7 1.151 -1.112 -4.471 55 HB2 LEU 7 HB2 LEU 7 -1.214 -3.019 -4.385 56 HB3 LEU 7 HB3 LEU 7 -1.084 -1.528 -3.446 57 HG LEU 7 HG LEU 7 -1.265 -1.754 -6.470 58 HD11 LEU 7 HD11 LEU 7 -3.411 -0.611 -6.131 59 HD12 LEU 7 HD12 LEU 7 -3.359 -2.175 -5.286 60 HD13 LEU 7 HD13 LEU 7 -3.161 -0.662 -4.370 61 HD21 LEU 7 HD21 LEU 7 -1.300 0.718 -6.419 62 HD22 LEU 7 HD22 LEU 7 -1.020 0.685 -4.661 63 HD23 LEU 7 HD23 LEU 7 0.233 0.085 -5.772 64 H TYR 8 H TYR 8 1.071 -4.605 -4.033 65 HA TYR 8 HA TYR 8 1.403 -4.533 -1.162 66 HB2 TYR 8 HB2 TYR 8 1.991 -6.690 -3.228 67 HB3 TYR 8 HB3 TYR 8 2.151 -6.930 -1.494 68 HD1 TYR 8 HD1 TYR 8 -0.038 -7.083 -4.285 69 HD2 TYR 8 HD2 TYR 8 0.049 -6.441 -0.043 70 HE1 TYR 8 HE1 TYR 8 -2.434 -7.673 -4.146 71 HE2 TYR 8 HE2 TYR 8 -2.346 -7.032 0.096 72 HH TYR 8 HH TYR 8 -4.226 -7.788 -2.820 73 H ASP 9 H ASP 9 3.601 -4.482 -3.917 74 HA ASP 9 HA ASP 9 5.997 -4.816 -2.332 75 HB2 ASP 9 HB2 ASP 9 5.500 -3.723 -5.124 76 HB3 ASP 9 HB3 ASP 9 7.106 -3.830 -4.417 77 H LEU 10 H LEU 10 4.106 -2.041 -3.463 78 HA LEU 10 HA LEU 10 5.911 -0.002 -2.634 79 HB2 LEU 10 HB2 LEU 10 2.891 -0.078 -2.892 80 HB3 LEU 10 HB3 LEU 10 3.775 1.387 -2.454 81 HG LEU 10 HG LEU 10 4.178 -0.154 -5.042 82 HD11 LEU 10 HD11 LEU 10 2.918 1.683 -6.076 83 HD12 LEU 10 HD12 LEU 10 1.927 0.784 -4.903 84 HD13 LEU 10 HD13 LEU 10 2.603 2.372 -4.466 85 HD21 LEU 10 HD21 LEU 10 5.393 1.893 -5.709 86 HD22 LEU 10 HD22 LEU 10 5.112 2.587 -4.093 87 HD23 LEU 10 HD23 LEU 10 6.139 1.145 -4.276 88 H LEU 11 H LEU 11 3.325 -1.723 -0.898 89 HA LEU 11 HA LEU 11 3.807 -0.226 1.562 90 HB2 LEU 11 HB2 LEU 11 2.184 -2.729 0.984 91 HB3 LEU 11 HB3 LEU 11 2.228 -1.908 2.546 92 HG LEU 11 HG LEU 11 1.157 -0.752 -0.052 93 HD11 LEU 11 HD11 LEU 11 -1.007 -0.898 1.097 94 HD12 LEU 11 HD12 LEU 11 -0.254 -2.499 0.908 95 HD13 LEU 11 HD13 LEU 11 -0.216 -1.679 2.486 96 HD21 LEU 11 HD21 LEU 11 0.441 1.132 1.378 97 HD22 LEU 11 HD22 LEU 11 1.254 0.381 2.775 98 HD23 LEU 11 HD23 LEU 11 2.213 0.956 1.390 99 H GLY 12 H GLY 12 4.906 -3.209 0.098 100 HA2 GLY 12 HA2 GLY 12 6.756 -4.508 0.720 101 HA3 GLY 12 HA3 GLY 12 6.976 -3.505 2.140 102 H VAL 13 H VAL 13 4.113 -5.354 1.046 103 HA VAL 13 HA VAL 13 4.310 -7.025 3.495 104 HB VAL 13 HB VAL 13 2.909 -5.033 4.047 105 HG11 VAL 13 HG11 VAL 13 0.739 -4.735 2.958 106 HG12 VAL 13 HG12 VAL 13 2.089 -4.525 1.819 107 HG13 VAL 13 HG13 VAL 13 1.138 -6.030 1.806 108 HG21 VAL 13 HG21 VAL 13 0.951 -6.305 4.868 109 HG22 VAL 13 HG22 VAL 13 1.367 -7.647 3.775 110 HG23 VAL 13 HG23 VAL 13 2.459 -7.216 5.113 111 H SER 14 H SER 14 3.415 -9.035 3.336 112 HA SER 14 HA SER 14 3.113 -10.123 0.710 113 HB2 SER 14 HB2 SER 14 3.875 -11.499 2.548 114 HB3 SER 14 HB3 SER 14 2.394 -11.211 3.448 115 HG SER 14 HG SER 14 1.737 -12.903 2.504 116 HA PRO 15 HA PRO 15 -1.107 -9.332 -0.121 117 HB2 PRO 15 HB2 PRO 15 -1.594 -11.333 -1.952 118 HB3 PRO 15 HB3 PRO 15 -0.634 -9.900 -2.340 119 HG2 PRO 15 HG2 PRO 15 0.321 -12.665 -1.480 120 HG3 PRO 15 HG3 PRO 15 0.896 -11.679 -2.828 121 HD2 PRO 15 HD2 PRO 15 2.227 -11.716 -0.462 122 HD3 PRO 15 HD3 PRO 15 2.091 -10.194 -1.433 123 H SER 16 H SER 16 0.142 -12.234 1.259 124 HA SER 16 HA SER 16 -2.439 -13.480 1.797 125 HB2 SER 16 HB2 SER 16 -1.184 -15.046 3.130 126 HB3 SER 16 HB3 SER 16 -0.301 -14.755 1.639 127 HG SER 16 HG SER 16 0.304 -14.124 4.227 128 H ALA 17 H ALA 17 -0.805 -10.800 3.030 129 HA ALA 17 HA ALA 17 -1.519 -11.068 5.812 130 HB1 ALA 17 HB1 ALA 17 -0.944 -8.665 5.946 131 HB2 ALA 17 HB2 ALA 17 0.303 -9.594 5.080 132 HB3 ALA 17 HB3 ALA 17 -0.855 -8.595 4.172 133 H ASN 18 H ASN 18 -3.174 -10.184 6.985 134 HA ASN 18 HA ASN 18 -5.643 -9.696 5.464 135 HB2 ASN 18 HB2 ASN 18 -6.761 -9.786 7.600 136 HB3 ASN 18 HB3 ASN 18 -5.630 -11.127 7.496 137 HD21 ASN 18 HD21 ASN 18 -4.657 -10.212 10.717 138 HD22 ASN 18 HD22 ASN 18 -5.500 -11.348 9.719 139 H GLU 19 H GLU 19 -7.099 -7.955 6.798 140 HA GLU 19 HA GLU 19 -6.272 -5.545 5.595 141 HB2 GLU 19 HB2 GLU 19 -8.621 -6.070 6.191 142 HB3 GLU 19 HB3 GLU 19 -8.226 -5.934 7.898 143 HG2 GLU 19 HG2 GLU 19 -7.650 -3.557 7.571 144 HG3 GLU 19 HG3 GLU 19 -8.069 -3.699 5.865 145 H GLN 20 H GLN 20 -6.084 -6.539 9.019 146 HA GLN 20 HA GLN 20 -5.089 -4.018 9.945 147 HB2 GLN 20 HB2 GLN 20 -4.945 -6.815 11.129 148 HB3 GLN 20 HB3 GLN 20 -4.372 -5.382 11.970 149 HG2 GLN 20 HG2 GLN 20 -6.610 -4.421 11.933 150 HG3 GLN 20 HG3 GLN 20 -7.208 -5.834 11.018 151 HE21 GLN 20 HE21 GLN 20 -7.985 -6.223 14.659 152 HE22 GLN 20 HE22 GLN 20 -8.309 -5.003 13.473 153 H GLU 21 H GLU 21 -3.487 -7.002 8.884 154 HA GLU 21 HA GLU 21 -0.833 -6.094 9.577 155 HB2 GLU 21 HB2 GLU 21 -1.823 -8.273 7.699 156 HB3 GLU 21 HB3 GLU 21 -0.123 -7.990 8.044 157 HG2 GLU 21 HG2 GLU 21 -2.243 -8.743 10.071 158 HG3 GLU 21 HG3 GLU 21 -1.042 -9.825 9.368 159 H LEU 22 H LEU 22 -2.850 -5.915 6.675 160 HA LEU 22 HA LEU 22 -0.869 -4.804 4.943 161 HB2 LEU 22 HB2 LEU 22 -3.888 -4.517 5.041 162 HB3 LEU 22 HB3 LEU 22 -2.893 -3.817 3.759 163 HG LEU 22 HG LEU 22 -3.051 -6.785 4.395 164 HD11 LEU 22 HD11 LEU 22 -4.411 -6.922 2.356 165 HD12 LEU 22 HD12 LEU 22 -5.192 -5.919 3.601 166 HD13 LEU 22 HD13 LEU 22 -4.381 -5.147 2.218 167 HD21 LEU 22 HD21 LEU 22 -1.906 -7.000 2.215 168 HD22 LEU 22 HD22 LEU 22 -1.840 -5.227 2.073 169 HD23 LEU 22 HD23 LEU 22 -0.929 -6.052 3.360 170 H LYS 23 H LYS 23 -3.123 -3.331 7.267 171 HA LYS 23 HA LYS 23 -2.434 -0.617 6.732 172 HB2 LYS 23 HB2 LYS 23 -4.393 -1.304 8.091 173 HB3 LYS 23 HB3 LYS 23 -3.318 -1.899 9.349 174 HG2 LYS 23 HG2 LYS 23 -2.491 0.360 9.766 175 HG3 LYS 23 HG3 LYS 23 -3.474 0.989 8.436 176 HD2 LYS 23 HD2 LYS 23 -5.529 0.264 9.602 177 HD3 LYS 23 HD3 LYS 23 -4.550 -0.378 10.930 178 HE2 LYS 23 HE2 LYS 23 -3.663 1.888 11.374 179 HE3 LYS 23 HE3 LYS 23 -4.636 2.532 10.049 180 HZ1 LYS 23 HZ1 LYS 23 -5.696 2.855 12.163 181 HZ2 LYS 23 HZ2 LYS 23 -6.603 1.835 11.235 182 HZ3 LYS 23 HZ3 LYS 23 -5.692 1.235 12.474 183 H LYS 24 H LYS 24 -1.036 -3.014 8.964 184 HA LYS 24 HA LYS 24 0.886 -1.324 10.173 185 HB2 LYS 24 HB2 LYS 24 0.943 -4.298 9.543 186 HB3 LYS 24 HB3 LYS 24 2.200 -3.492 10.471 187 HG2 LYS 24 HG2 LYS 24 0.561 -2.844 12.178 188 HG3 LYS 24 HG3 LYS 24 -0.731 -3.599 11.236 189 HD2 LYS 24 HD2 LYS 24 0.470 -5.786 11.410 190 HD3 LYS 24 HD3 LYS 24 1.680 -5.006 12.439 191 HE2 LYS 24 HE2 LYS 24 -0.051 -4.448 14.090 192 HE3 LYS 24 HE3 LYS 24 -1.293 -5.153 13.054 193 HZ1 LYS 24 HZ1 LYS 24 -0.605 -6.669 14.763 194 HZ2 LYS 24 HZ2 LYS 24 -0.199 -7.275 13.284 195 HZ3 LYS 24 HZ3 LYS 24 0.962 -6.617 14.253 196 H GLY 25 H GLY 25 1.024 -3.176 7.140 197 HA2 GLY 25 HA2 GLY 25 3.694 -2.602 6.403 198 HA3 GLY 25 HA3 GLY 25 2.379 -2.895 5.281 199 H TYR 26 H TYR 26 0.679 -0.768 5.793 200 HA TYR 26 HA TYR 26 1.900 1.379 4.369 201 HB2 TYR 26 HB2 TYR 26 -0.518 1.027 4.327 202 HB3 TYR 26 HB3 TYR 26 -0.630 1.297 6.061 203 HD1 TYR 26 HD1 TYR 26 0.786 3.066 3.064 204 HD2 TYR 26 HD2 TYR 26 -1.437 3.335 6.724 205 HE1 TYR 26 HE1 TYR 26 0.423 5.478 2.666 206 HE2 TYR 26 HE2 TYR 26 -1.800 5.747 6.326 207 HH TYR 26 HH TYR 26 -0.736 7.299 3.335 208 H ARG 27 H ARG 27 1.210 0.941 7.836 209 HA ARG 27 HA ARG 27 2.006 3.517 8.691 210 HB2 ARG 27 HB2 ARG 27 2.121 0.828 10.087 211 HB3 ARG 27 HB3 ARG 27 2.507 2.341 10.889 212 HG2 ARG 27 HG2 ARG 27 0.248 3.164 10.526 213 HG3 ARG 27 HG3 ARG 27 -0.159 1.695 9.604 214 HD2 ARG 27 HD2 ARG 27 -1.002 1.475 11.813 215 HD3 ARG 27 HD3 ARG 27 0.374 0.366 11.620 216 HE ARG 27 HE ARG 27 1.182 2.901 12.705 217 HH11 ARG 27 HH11 ARG 27 -0.310 -0.173 13.521 218 HH12 ARG 27 HH12 ARG 27 0.178 -0.106 15.200 219 HH21 ARG 27 HH21 ARG 27 1.810 2.976 14.886 220 HH22 ARG 27 HH22 ARG 27 1.377 1.675 15.973 221 H LYS 28 H LYS 28 3.910 0.536 8.250 222 HA LYS 28 HA LYS 28 6.392 1.667 9.143 223 HB2 LYS 28 HB2 LYS 28 5.755 -0.689 7.331 224 HB3 LYS 28 HB3 LYS 28 7.392 -0.266 7.812 225 HG2 LYS 28 HG2 LYS 28 6.809 -0.611 10.173 226 HG3 LYS 28 HG3 LYS 28 5.145 -0.997 9.713 227 HD2 LYS 28 HD2 LYS 28 5.969 -2.913 8.369 228 HD3 LYS 28 HD3 LYS 28 7.627 -2.531 8.856 229 HE2 LYS 28 HE2 LYS 28 7.025 -2.900 11.221 230 HE3 LYS 28 HE3 LYS 28 5.362 -3.258 10.750 231 HZ1 LYS 28 HZ1 LYS 28 6.633 -5.250 11.077 232 HZ2 LYS 28 HZ2 LYS 28 6.181 -5.132 9.496 233 HZ3 LYS 28 HZ3 LYS 28 7.735 -4.800 9.937 234 H ALA 29 H ALA 29 4.936 1.297 5.910 235 HA ALA 29 HA ALA 29 7.130 2.481 4.505 236 HB1 ALA 29 HB1 ALA 29 5.517 2.734 2.647 237 HB2 ALA 29 HB2 ALA 29 5.434 1.114 3.377 238 HB3 ALA 29 HB3 ALA 29 4.188 2.325 3.756 239 H ALA 30 H ALA 30 4.286 3.816 6.102 240 HA ALA 30 HA ALA 30 4.547 6.471 5.070 241 HB1 ALA 30 HB1 ALA 30 3.130 7.120 6.990 242 HB2 ALA 30 HB2 ALA 30 2.495 5.680 6.159 243 HB3 ALA 30 HB3 ALA 30 3.367 5.507 7.700 244 H LEU 31 H LEU 31 5.973 4.820 7.860 245 HA LEU 31 HA LEU 31 7.342 7.125 8.890 246 HB2 LEU 31 HB2 LEU 31 7.910 4.149 9.095 247 HB3 LEU 31 HB3 LEU 31 8.844 5.379 9.951 248 HG LEU 31 HG LEU 31 5.860 4.928 10.312 249 HD11 LEU 31 HD11 LEU 31 6.498 3.880 12.437 250 HD12 LEU 31 HD12 LEU 31 7.153 2.988 11.044 251 HD13 LEU 31 HD13 LEU 31 8.216 4.045 12.004 252 HD21 LEU 31 HD21 LEU 31 6.195 6.367 12.291 253 HD22 LEU 31 HD22 LEU 31 7.910 6.569 11.856 254 HD23 LEU 31 HD23 LEU 31 6.639 7.223 10.795 255 H LYS 32 H LYS 32 8.137 4.693 6.442 256 HA LYS 32 HA LYS 32 10.847 5.528 6.030 257 HB2 LYS 32 HB2 LYS 32 8.847 4.127 4.220 258 HB3 LYS 32 HB3 LYS 32 10.516 4.426 3.754 259 HG2 LYS 32 HG2 LYS 32 11.308 3.070 5.645 260 HG3 LYS 32 HG3 LYS 32 9.635 2.788 6.149 261 HD2 LYS 32 HD2 LYS 32 9.170 1.694 3.972 262 HD3 LYS 32 HD3 LYS 32 10.850 1.961 3.486 263 HE2 LYS 32 HE2 LYS 32 11.623 0.579 5.383 264 HE3 LYS 32 HE3 LYS 32 9.950 0.320 5.884 265 HZ1 LYS 32 HZ1 LYS 32 10.781 -1.510 4.602 266 HZ2 LYS 32 HZ2 LYS 32 9.553 -0.772 3.785 267 HZ3 LYS 32 HZ3 LYS 32 11.115 -0.531 3.318 268 H TYR 33 H TYR 33 7.766 6.528 4.568 269 HA TYR 33 HA TYR 33 9.231 8.860 3.407 270 HB2 TYR 33 HB2 TYR 33 6.789 7.527 2.178 271 HB3 TYR 33 HB3 TYR 33 7.751 8.827 1.486 272 HD1 TYR 33 HD1 TYR 33 7.284 5.299 1.706 273 HD2 TYR 33 HD2 TYR 33 10.229 8.330 0.967 274 HE1 TYR 33 HE1 TYR 33 8.707 3.637 0.557 275 HE2 TYR 33 HE2 TYR 33 11.653 6.668 -0.181 276 HH TYR 33 HH TYR 33 11.872 4.556 -0.810 277 H HIS 34 H HIS 34 8.529 9.414 5.781 278 HA HIS 34 HA HIS 34 5.737 10.123 6.155 279 HB2 HIS 34 HB2 HIS 34 7.504 9.601 7.969 280 HB3 HIS 34 HB3 HIS 34 8.077 11.244 7.716 281 HD2 HIS 34 HD2 HIS 34 5.262 9.379 9.569 282 HE1 HIS 34 HE1 HIS 34 4.475 13.552 9.917 283 HE2 HIS 34 HE2 HIS 34 3.838 11.221 10.732 284 HA PRO 35 HA PRO 35 5.442 13.802 3.902 285 HB2 PRO 35 HB2 PRO 35 3.762 14.633 6.311 286 HB3 PRO 35 HB3 PRO 35 3.404 14.834 4.590 287 HG2 PRO 35 HG2 PRO 35 2.226 12.836 5.884 288 HG3 PRO 35 HG3 PRO 35 2.900 12.523 4.283 289 HD2 PRO 35 HD2 PRO 35 4.045 11.846 7.014 290 HD3 PRO 35 HD3 PRO 35 4.062 10.868 5.492 291 H ASP 36 H ASP 36 6.151 13.832 7.382 292 HA ASP 36 HA ASP 36 7.276 16.570 7.179 293 HB2 ASP 36 HB2 ASP 36 6.721 14.776 9.575 294 HB3 ASP 36 HB3 ASP 36 7.458 16.369 9.686 295 H LYS 37 H LYS 37 8.396 13.689 6.394 296 HA LYS 37 HA LYS 37 10.929 13.730 7.875 297 HB2 LYS 37 HB2 LYS 37 9.835 11.595 7.146 298 HB3 LYS 37 HB3 LYS 37 10.099 12.056 5.470 299 HG2 LYS 37 HG2 LYS 37 12.500 11.953 5.749 300 HG3 LYS 37 HG3 LYS 37 12.329 11.688 7.490 301 HD2 LYS 37 HD2 LYS 37 11.259 9.540 7.121 302 HD3 LYS 37 HD3 LYS 37 11.206 9.819 5.375 303 HE2 LYS 37 HE2 LYS 37 13.640 9.775 5.246 304 HE3 LYS 37 HE3 LYS 37 13.767 9.653 7.003 305 HZ1 LYS 37 HZ1 LYS 37 14.024 7.528 5.951 306 HZ2 LYS 37 HZ2 LYS 37 12.659 7.529 6.877 307 HZ3 LYS 37 HZ3 LYS 37 12.542 7.642 5.236 308 HA PRO 38 HA PRO 38 12.618 16.666 5.165 309 HB2 PRO 38 HB2 PRO 38 15.180 16.705 6.198 310 HB3 PRO 38 HB3 PRO 38 13.802 17.450 7.017 311 HG2 PRO 38 HG2 PRO 38 15.028 14.696 7.463 312 HG3 PRO 38 HG3 PRO 38 14.597 15.909 8.671 313 HD2 PRO 38 HD2 PRO 38 12.926 13.847 8.138 314 HD3 PRO 38 HD3 PRO 38 12.273 15.499 8.476 315 H THR 39 H THR 39 13.717 13.394 5.507 316 HA THR 39 HA THR 39 15.148 13.615 2.890 317 HB THR 39 HB THR 39 16.382 11.550 3.546 318 HG1 THR 39 HG1 THR 39 16.104 11.429 6.108 319 HG21 THR 39 HG21 THR 39 17.829 12.599 5.241 320 HG22 THR 39 HG22 THR 39 17.372 13.771 3.983 321 HG23 THR 39 HG23 THR 39 16.571 13.813 5.571 322 H GLY 40 H GLY 40 12.226 13.130 3.707 323 HA2 GLY 40 HA2 GLY 40 11.855 10.448 2.447 324 HA3 GLY 40 HA3 GLY 40 10.661 11.293 3.417 325 H ASP 41 H ASP 41 10.269 10.186 0.790 326 HA ASP 41 HA ASP 41 10.020 12.628 -0.903 327 HB2 ASP 41 HB2 ASP 41 11.255 10.669 -1.861 328 HB3 ASP 41 HB3 ASP 41 9.798 9.698 -1.702 329 H THR 42 H THR 42 8.138 13.608 -0.840 330 HA THR 42 HA THR 42 5.786 12.538 0.309 331 HB THR 42 HB THR 42 6.057 14.784 -1.736 332 HG1 THR 42 HG1 THR 42 7.013 14.677 0.645 333 HG21 THR 42 HG21 THR 42 3.890 15.547 -0.845 334 HG22 THR 42 HG22 THR 42 3.745 13.930 -1.573 335 HG23 THR 42 HG23 THR 42 3.807 14.107 0.197 336 H GLU 43 H GLU 43 6.976 12.461 -3.010 337 HA GLU 43 HA GLU 43 4.495 11.648 -4.208 338 HB2 GLU 43 HB2 GLU 43 7.386 11.343 -5.113 339 HB3 GLU 43 HB3 GLU 43 6.005 10.894 -6.105 340 HG2 GLU 43 HG2 GLU 43 6.612 13.667 -5.058 341 HG3 GLU 43 HG3 GLU 43 6.883 13.089 -6.701 342 H LYS 44 H LYS 44 7.189 9.891 -2.743 343 HA LYS 44 HA LYS 44 6.187 7.273 -3.463 344 HB2 LYS 44 HB2 LYS 44 8.100 8.172 -1.272 345 HB3 LYS 44 HB3 LYS 44 7.759 6.491 -1.658 346 HG2 LYS 44 HG2 LYS 44 9.022 8.524 -3.520 347 HG3 LYS 44 HG3 LYS 44 9.851 7.212 -2.670 348 HD2 LYS 44 HD2 LYS 44 7.570 6.740 -4.618 349 HD3 LYS 44 HD3 LYS 44 9.272 6.762 -5.105 350 HE2 LYS 44 HE2 LYS 44 9.734 4.944 -3.459 351 HE3 LYS 44 HE3 LYS 44 8.015 4.893 -3.062 352 HZ1 LYS 44 HZ1 LYS 44 8.600 3.226 -4.664 353 HZ2 LYS 44 HZ2 LYS 44 7.564 4.313 -5.345 354 HZ3 LYS 44 HZ3 LYS 44 9.171 4.359 -5.717 355 H PHE 45 H PHE 45 5.761 9.443 -0.694 356 HA PHE 45 HA PHE 45 4.165 7.713 0.900 357 HB2 PHE 45 HB3 PHE 45 5.047 9.919 1.654 358 HB3 PHE 45 HB2 PHE 45 3.937 10.731 0.561 359 HD1 PHE 45 HD1 PHE 45 1.781 11.276 1.251 360 HD2 PHE 45 HD2 PHE 45 4.030 8.394 3.461 361 HE1 PHE 45 HE1 PHE 45 0.044 11.273 3.011 362 HE2 PHE 45 HE2 PHE 45 2.294 8.385 5.220 363 HZ PHE 45 HZ PHE 45 0.302 9.828 4.995 364 H LYS 46 H LYS 46 3.313 9.881 -1.793 365 HA LYS 46 HA LYS 46 0.505 9.467 -1.715 366 HB2 LYS 46 HB2 LYS 46 2.388 10.075 -4.022 367 HB3 LYS 46 HB3 LYS 46 0.640 10.023 -4.201 368 HG2 LYS 46 HG2 LYS 46 0.387 11.854 -2.599 369 HG3 LYS 46 HG3 LYS 46 2.135 11.879 -2.327 370 HD2 LYS 46 HD2 LYS 46 2.487 12.412 -4.728 371 HD3 LYS 46 HD3 LYS 46 0.735 12.428 -4.970 372 HE2 LYS 46 HE2 LYS 46 0.500 14.287 -3.393 373 HE3 LYS 46 HE3 LYS 46 2.229 14.238 -3.037 374 HZ1 LYS 46 HZ1 LYS 46 1.700 15.947 -4.616 375 HZ2 LYS 46 HZ2 LYS 46 2.656 14.807 -5.329 376 HZ3 LYS 46 HZ3 LYS 46 1.042 14.854 -5.660 377 H GLU 47 H GLU 47 3.096 7.622 -3.303 378 HA GLU 47 HA GLU 47 1.392 5.876 -4.774 379 HB2 GLU 47 HB2 GLU 47 4.225 5.549 -3.723 380 HB3 GLU 47 HB3 GLU 47 3.436 4.334 -4.719 381 HG2 GLU 47 HG2 GLU 47 3.187 5.950 -6.537 382 HG3 GLU 47 HG3 GLU 47 3.914 7.207 -5.539 383 H ILE 48 H ILE 48 2.886 5.539 -1.549 384 HA ILE 48 HA ILE 48 1.779 2.889 -1.150 385 HB ILE 48 HB ILE 48 2.633 3.118 1.161 386 HG12 ILE 48 HG12 ILE 48 3.366 5.957 0.420 387 HG13 ILE 48 HG13 ILE 48 1.976 5.522 1.401 388 HG21 ILE 48 HG21 ILE 48 5.008 3.466 0.616 389 HG22 ILE 48 HG22 ILE 48 4.201 2.493 -0.636 390 HG23 ILE 48 HG23 ILE 48 4.548 4.212 -0.933 391 HD11 ILE 48 HD11 ILE 48 3.851 6.204 2.790 392 HD12 ILE 48 HD12 ILE 48 3.460 4.490 3.067 393 HD13 ILE 48 HD13 ILE 48 4.869 4.933 2.073 394 H SER 49 H SER 49 0.692 6.146 -0.588 395 HA SER 49 HA SER 49 -1.407 5.471 1.280 396 HB2 SER 49 HB2 SER 49 -1.025 7.816 -0.607 397 HB3 SER 49 HB3 SER 49 -2.343 7.699 0.548 398 HG SER 49 HG SER 49 0.403 7.918 0.980 399 H GLU 50 H GLU 50 -1.250 5.839 -2.264 400 HA GLU 50 HA GLU 50 -3.965 5.105 -2.773 401 HB2 GLU 50 HB2 GLU 50 -1.413 4.869 -4.398 402 HB3 GLU 50 HB3 GLU 50 -2.960 4.310 -5.018 403 HG2 GLU 50 HG2 GLU 50 -3.887 6.576 -4.762 404 HG3 GLU 50 HG3 GLU 50 -2.336 7.137 -4.141 405 H ALA 51 H ALA 51 -0.986 3.165 -2.483 406 HA ALA 51 HA ALA 51 -2.151 0.639 -2.994 407 HB1 ALA 51 HB1 ALA 51 -0.240 -0.283 -1.721 408 HB2 ALA 51 HB2 ALA 51 0.274 0.989 -2.854 409 HB3 ALA 51 HB3 ALA 51 0.135 1.347 -1.117 410 H PHE 52 H PHE 52 -1.801 2.423 0.074 411 HA PHE 52 HA PHE 52 -2.962 0.438 1.743 412 HB2 PHE 52 HB3 PHE 52 -1.765 2.314 2.705 413 HB3 PHE 52 HB2 PHE 52 -2.877 3.468 1.986 414 HD1 PHE 52 HD1 PHE 52 -2.917 0.511 4.281 415 HD2 PHE 52 HD2 PHE 52 -4.565 4.325 3.292 416 HE1 PHE 52 HE1 PHE 52 -4.311 0.435 6.320 417 HE2 PHE 52 HE2 PHE 52 -5.961 4.253 5.332 418 HZ PHE 52 HZ PHE 52 -5.835 2.306 6.846 419 H GLU 53 H GLU 53 -4.479 3.340 0.279 420 HA GLU 53 HA GLU 53 -7.069 2.890 1.285 421 HB2 GLU 53 HB2 GLU 53 -6.393 5.001 0.223 422 HB3 GLU 53 HB3 GLU 53 -6.222 4.197 -1.332 423 HG2 GLU 53 HG2 GLU 53 -8.645 3.692 -1.320 424 HG3 GLU 53 HG3 GLU 53 -8.800 4.548 0.212 425 H ILE 54 H ILE 54 -5.667 1.853 -1.836 426 HA ILE 54 HA ILE 54 -8.053 0.617 -2.797 427 HB ILE 54 HB ILE 54 -5.121 0.194 -3.489 428 HG12 ILE 54 HG12 ILE 54 -7.320 1.502 -5.095 429 HG13 ILE 54 HG13 ILE 54 -6.276 2.391 -3.996 430 HG21 ILE 54 HG21 ILE 54 -5.915 -1.052 -5.459 431 HG22 ILE 54 HG22 ILE 54 -6.371 -1.880 -3.952 432 HG23 ILE 54 HG23 ILE 54 -7.586 -0.947 -4.855 433 HD11 ILE 54 HD11 ILE 54 -5.477 2.551 -6.286 434 HD12 ILE 54 HD12 ILE 54 -4.303 1.678 -5.274 435 HD13 ILE 54 HD13 ILE 54 -5.359 0.779 -6.388 436 H LEU 55 H LEU 55 -5.307 -0.628 -0.921 437 HA LEU 55 HA LEU 55 -6.398 -3.358 -1.024 438 HB2 LEU 55 HB2 LEU 55 -3.962 -2.206 0.381 439 HB3 LEU 55 HB3 LEU 55 -4.387 -3.920 0.333 440 HG LEU 55 HG LEU 55 -3.674 -2.215 -2.080 441 HD11 LEU 55 HD11 LEU 55 -1.609 -3.542 -2.089 442 HD12 LEU 55 HD12 LEU 55 -1.775 -2.594 -0.592 443 HD13 LEU 55 HD13 LEU 55 -2.115 -4.341 -0.583 444 HD21 LEU 55 HD21 LEU 55 -3.662 -4.387 -3.260 445 HD22 LEU 55 HD22 LEU 55 -4.198 -5.201 -1.770 446 HD23 LEU 55 HD23 LEU 55 -5.270 -4.035 -2.583 447 H ASN 56 H ASN 56 -6.796 -0.593 0.887 448 HA ASN 56 HA ASN 56 -7.470 -2.036 3.345 449 HB2 ASN 56 HB2 ASN 56 -6.614 0.305 3.359 450 HB3 ASN 56 HB3 ASN 56 -8.075 0.826 2.532 451 HD21 ASN 56 HD21 ASN 56 -9.845 1.235 5.457 452 HD22 ASN 56 HD22 ASN 56 -9.585 1.633 3.792 453 H ASP 57 H ASP 57 -9.366 -0.148 0.959 454 HA ASP 57 HA ASP 57 -11.900 -1.110 1.857 455 HB2 ASP 57 HB2 ASP 57 -11.570 0.893 0.397 456 HB3 ASP 57 HB3 ASP 57 -11.108 -0.166 -0.928 457 HA PRO 58 HA PRO 58 -11.420 -5.335 0.714 458 HB2 PRO 58 HB2 PRO 58 -14.452 -5.104 0.973 459 HB3 PRO 58 HB3 PRO 58 -13.385 -6.381 1.570 460 HG2 PRO 58 HG2 PRO 58 -14.235 -4.556 3.301 461 HG3 PRO 58 HG3 PRO 58 -12.536 -5.038 3.347 462 HD2 PRO 58 HD2 PRO 58 -13.792 -2.546 2.145 463 HD3 PRO 58 HD3 PRO 58 -12.243 -2.716 3.064 464 H GLN 59 H GLN 59 -13.805 -3.103 -0.700 465 HA GLN 59 HA GLN 59 -14.418 -4.715 -3.000 466 HB2 GLN 59 HB2 GLN 59 -15.858 -2.851 -2.161 467 HB3 GLN 59 HB3 GLN 59 -14.631 -1.697 -2.659 468 HG2 GLN 59 HG2 GLN 59 -16.351 -1.744 -4.310 469 HG3 GLN 59 HG3 GLN 59 -14.892 -2.503 -5.007 470 HE21 GLN 59 HE21 GLN 59 -16.722 -5.253 -6.037 471 HE22 GLN 59 HE22 GLN 59 -15.522 -4.046 -6.365 472 H LYS 60 H LYS 60 -12.405 -1.764 -2.687 473 HA LYS 60 HA LYS 60 -11.365 -1.899 -5.334 474 HB2 LYS 60 HB2 LYS 60 -10.277 -0.613 -2.804 475 HB3 LYS 60 HB3 LYS 60 -9.526 -0.418 -4.382 476 HG2 LYS 60 HG2 LYS 60 -11.585 0.619 -5.247 477 HG3 LYS 60 HG3 LYS 60 -12.355 0.408 -3.669 478 HD2 LYS 60 HD2 LYS 60 -10.610 1.831 -2.633 479 HD3 LYS 60 HD3 LYS 60 -9.855 2.051 -4.218 480 HE2 LYS 60 HE2 LYS 60 -11.922 3.111 -5.060 481 HE3 LYS 60 HE3 LYS 60 -12.688 2.882 -3.486 482 HZ1 LYS 60 HZ1 LYS 60 -11.814 5.088 -3.728 483 HZ2 LYS 60 HZ2 LYS 60 -11.005 4.299 -2.526 484 HZ3 LYS 60 HZ3 LYS 60 -10.292 4.514 -3.997 485 H ARG 61 H ARG 61 -10.286 -3.345 -2.297 486 HA ARG 61 HA ARG 61 -7.729 -4.224 -3.160 487 HB2 ARG 61 HB2 ARG 61 -8.460 -4.286 -0.811 488 HB3 ARG 61 HB3 ARG 61 -9.648 -5.523 -1.194 489 HG2 ARG 61 HG2 ARG 61 -7.765 -7.030 -1.882 490 HG3 ARG 61 HG3 ARG 61 -6.637 -5.791 -1.280 491 HD2 ARG 61 HD2 ARG 61 -7.090 -7.573 0.341 492 HD3 ARG 61 HD3 ARG 61 -7.559 -5.960 0.922 493 HE ARG 61 HE ARG 61 -9.711 -6.692 1.084 494 HH11 ARG 61 HH11 ARG 61 -7.995 -8.806 -1.133 495 HH12 ARG 61 HH12 ARG 61 -9.336 -9.915 -1.312 496 HH21 ARG 61 HH21 ARG 61 -11.445 -8.138 0.844 497 HH22 ARG 61 HH22 ARG 61 -11.290 -9.537 -0.193 498 H GLU 62 H GLU 62 -10.883 -5.919 -3.203 499 HA GLU 62 HA GLU 62 -9.911 -8.286 -4.459 500 HB2 GLU 62 HB2 GLU 62 -12.658 -7.004 -4.311 501 HB3 GLU 62 HB3 GLU 62 -12.385 -8.515 -5.168 502 HG2 GLU 62 HG2 GLU 62 -11.725 -8.074 -2.248 503 HG3 GLU 62 HG3 GLU 62 -13.236 -8.761 -2.838 504 H ILE 63 H ILE 63 -11.201 -5.251 -5.776 505 HA ILE 63 HA ILE 63 -11.261 -6.040 -8.507 506 HB ILE 63 HB ILE 63 -10.864 -3.324 -7.196 507 HG12 ILE 63 HG12 ILE 63 -13.258 -4.452 -8.656 508 HG13 ILE 63 HG13 ILE 63 -13.040 -4.570 -6.917 509 HG21 ILE 63 HG21 ILE 63 -11.320 -2.354 -9.412 510 HG22 ILE 63 HG22 ILE 63 -9.823 -3.313 -9.431 511 HG23 ILE 63 HG23 ILE 63 -11.314 -3.983 -10.131 512 HD11 ILE 63 HD11 ILE 63 -14.480 -2.698 -7.498 513 HD12 ILE 63 HD12 ILE 63 -12.972 -2.119 -6.748 514 HD13 ILE 63 HD13 ILE 63 -13.193 -2.000 -8.510 515 H TYR 64 H TYR 64 -8.678 -4.529 -6.564 516 HA TYR 64 HA TYR 64 -6.741 -4.439 -8.660 517 HB2 TYR 64 HB2 TYR 64 -6.439 -3.170 -6.595 518 HB3 TYR 64 HB3 TYR 64 -6.410 -4.647 -5.642 519 HD1 TYR 64 HD1 TYR 64 -4.605 -2.927 -8.428 520 HD2 TYR 64 HD2 TYR 64 -4.393 -5.676 -5.141 521 HE1 TYR 64 HE1 TYR 64 -2.150 -3.048 -8.687 522 HE2 TYR 64 HE2 TYR 64 -1.939 -5.797 -5.400 523 HH TYR 64 HH TYR 64 -0.275 -4.045 -8.004 524 H ASP 65 H ASP 65 -7.364 -6.896 -6.142 525 HA ASP 65 HA ASP 65 -5.164 -8.559 -6.840 526 HB2 ASP 65 HB2 ASP 65 -7.811 -9.219 -5.491 527 HB3 ASP 65 HB3 ASP 65 -6.477 -10.355 -5.629 528 H GLN 66 H GLN 66 -8.450 -8.338 -8.100 529 HA GLN 66 HA GLN 66 -8.158 -10.882 -9.555 530 HB2 GLN 66 HB2 GLN 66 -10.432 -8.870 -9.353 531 HB3 GLN 66 HB3 GLN 66 -10.503 -10.317 -10.350 532 HG2 GLN 66 HG2 GLN 66 -10.240 -11.728 -8.377 533 HG3 GLN 66 HG3 GLN 66 -10.115 -10.271 -7.351 534 HE21 GLN 66 HE21 GLN 66 -13.530 -10.589 -6.733 535 HE22 GLN 66 HE22 GLN 66 -11.916 -10.604 -6.105 536 H TYR 67 H TYR 67 -8.178 -7.404 -10.210 537 HA TYR 67 HA TYR 67 -8.112 -8.035 -13.132 538 HB2 TYR 67 HB2 TYR 67 -9.319 -5.584 -11.788 539 HB3 TYR 67 HB3 TYR 67 -9.325 -5.935 -13.510 540 HD1 TYR 67 HD1 TYR 67 -10.342 -8.358 -14.102 541 HD2 TYR 67 HD2 TYR 67 -11.229 -6.040 -10.602 542 HE1 TYR 67 HE1 TYR 67 -12.484 -9.562 -13.848 543 HE2 TYR 67 HE2 TYR 67 -13.373 -7.244 -10.350 544 HH TYR 67 HH TYR 67 -14.217 -9.958 -12.442 545 H GLY 68 H GLY 68 -7.130 -5.642 -10.667 546 HA2 GLY 68 HA2 GLY 68 -4.569 -5.458 -10.682 547 HA3 GLY 68 HA3 GLY 68 -4.743 -5.052 -12.379 548 H LEU 69 H LEU 69 -3.500 -3.124 -11.423 549 HA LEU 69 HA LEU 69 -4.775 -1.382 -9.549 550 HB2 LEU 69 HB2 LEU 69 -2.352 -1.385 -9.926 551 HB3 LEU 69 HB3 LEU 69 -2.588 -0.830 -11.587 552 HG LEU 69 HG LEU 69 -3.491 1.312 -10.740 553 HD11 LEU 69 HD11 LEU 69 -3.336 1.825 -8.345 554 HD12 LEU 69 HD12 LEU 69 -4.455 0.479 -8.658 555 HD13 LEU 69 HD13 LEU 69 -2.828 0.151 -8.019 556 HD21 LEU 69 HD21 LEU 69 -1.350 2.163 -9.844 557 HD22 LEU 69 HD22 LEU 69 -0.814 0.493 -9.539 558 HD23 LEU 69 HD23 LEU 69 -1.077 1.051 -11.208 559 H GLU 70 H GLU 70 -4.505 -1.275 -13.107 560 HA GLU 70 HA GLU 70 -5.726 1.191 -13.583 561 HB2 GLU 70 HB2 GLU 70 -4.720 -0.235 -15.344 562 HB3 GLU 70 HB3 GLU 70 -6.046 -1.378 -15.189 563 HG2 GLU 70 HG2 GLU 70 -7.630 0.338 -15.939 564 HG3 GLU 70 HG3 GLU 70 -6.316 1.505 -16.069 565 H ALA 71 H ALA 71 -7.318 -1.987 -13.188 566 HA ALA 71 HA ALA 71 -9.976 -0.953 -13.447 567 HB1 ALA 71 HB1 ALA 71 -10.672 -3.109 -12.457 568 HB2 ALA 71 HB2 ALA 71 -9.460 -3.335 -13.741 569 HB3 ALA 71 HB3 ALA 71 -8.978 -3.452 -12.034 570 H ALA 72 H ALA 72 -7.836 -1.459 -10.669 571 HA ALA 72 HA ALA 72 -9.779 -0.880 -8.661 572 HB1 ALA 72 HB1 ALA 72 -7.829 -0.474 -7.196 573 HB2 ALA 72 HB2 ALA 72 -7.636 -1.961 -8.151 574 HB3 ALA 72 HB3 ALA 72 -6.765 -0.484 -8.620 575 H ARG 73 H ARG 73 -7.635 1.183 -10.574 576 HA ARG 73 HA ARG 73 -8.236 3.603 -9.132 577 HB2 ARG 73 HB2 ARG 73 -7.148 3.076 -11.911 578 HB3 ARG 73 HB3 ARG 73 -7.383 4.698 -11.275 579 HG2 ARG 73 HG2 ARG 73 -5.829 4.175 -9.417 580 HG3 ARG 73 HG3 ARG 73 -5.556 2.570 -10.136 581 HD2 ARG 73 HD2 ARG 73 -4.724 3.609 -12.159 582 HD3 ARG 73 HD3 ARG 73 -5.013 5.219 -11.458 583 HE ARG 73 HE ARG 73 -2.823 3.409 -10.890 584 HH11 ARG 73 HH11 ARG 73 -4.737 6.095 -9.681 585 HH12 ARG 73 HH12 ARG 73 -3.483 6.666 -8.602 586 HH21 ARG 73 HH21 ARG 73 -1.203 4.161 -9.486 587 HH22 ARG 73 HH22 ARG 73 -1.482 5.572 -8.493 588 H SER 74 H SER 74 -9.623 2.003 -11.979 589 HA SER 74 HA SER 74 -11.520 4.161 -12.472 590 HB2 SER 74 HB2 SER 74 -12.427 2.708 -14.170 591 HB3 SER 74 HB3 SER 74 -10.674 2.648 -14.259 592 HG SER 74 HG SER 74 -12.481 0.726 -13.641 593 H GLY 75 H GLY 75 -11.381 1.339 -10.464 594 HA2 GLY 75 HA2 GLY 75 -12.858 0.711 -8.760 595 HA3 GLY 75 HA3 GLY 75 -13.930 2.020 -9.220 596 H GLY 76 H GLY 76 -12.690 -0.485 -11.407 597 HA2 GLY 76 HA2 GLY 76 -13.933 -2.407 -12.191 598 HA3 GLY 76 HA3 GLY 76 -15.411 -1.685 -11.587 599 HA PRO 77 HA PRO 77 -17.123 -1.733 -12.428 600 HB2 PRO 77 HB2 PRO 77 -17.914 -3.091 -15.009 601 HB3 PRO 77 HB3 PRO 77 -18.933 -2.259 -13.829 602 HG2 PRO 77 HG2 PRO 77 -18.363 -1.029 -16.132 603 HG3 PRO 77 HG3 PRO 77 -18.349 -0.101 -14.629 604 HD2 PRO 77 HD2 PRO 77 -15.998 -1.309 -16.155 605 HD3 PRO 77 HD3 PRO 77 -16.159 0.347 -15.443 606 H SER 78 H SER 78 -17.328 -3.851 -11.584 607 HA SER 78 HA SER 78 -15.152 -5.691 -12.124 608 HB2 SER 78 HB2 SER 78 -16.159 -7.075 -10.429 609 HB3 SER 78 HB3 SER 78 -16.222 -5.405 -9.889 610 HG SER 78 HG SER 78 -18.327 -6.574 -11.313 611 H PHE 79 H PHE 79 -15.506 -7.998 -12.624 612 HA PHE 79 HA PHE 79 -17.653 -8.317 -14.673 613 HB2 PHE 79 HB3 PHE 79 -14.741 -9.138 -15.013 614 HB3 PHE 79 HB2 PHE 79 -16.030 -9.397 -16.177 615 HD1 PHE 79 HD1 PHE 79 -13.442 -7.220 -15.124 616 HD2 PHE 79 HD2 PHE 79 -17.260 -7.275 -17.040 617 HE1 PHE 79 HE1 PHE 79 -12.960 -5.021 -16.145 618 HE2 PHE 79 HE2 PHE 79 -16.780 -5.078 -18.066 619 HZ PHE 79 HZ PHE 79 -14.628 -3.950 -17.616 620 H GLY 80 H GLY 80 -17.249 -9.283 -11.860 621 HA2 GLY 80 HA2 GLY 80 -16.923 -12.206 -12.276 622 HA3 GLY 80 HA3 GLY 80 -17.003 -11.382 -10.730 623 HA PRO 81 HA PRO 81 -21.046 -13.501 -11.491 624 HB2 PRO 81 HB2 PRO 81 -20.773 -13.553 -8.465 625 HB3 PRO 81 HB3 PRO 81 -21.379 -14.810 -9.548 626 HG2 PRO 81 HG2 PRO 81 -18.915 -15.064 -8.577 627 HG3 PRO 81 HG3 PRO 81 -19.200 -15.430 -10.282 628 HD2 PRO 81 HD2 PRO 81 -18.040 -12.907 -9.032 629 HD3 PRO 81 HD3 PRO 81 -17.487 -13.809 -10.498 Start of MODEL 11 1 HA SER 1 HA SER 1 -4.751 -15.915 -5.883 2 HB2 SER 1 HB2 SER 1 -6.502 -16.769 -7.333 3 HB3 SER 1 HB3 SER 1 -7.251 -15.183 -7.439 4 HG SER 1 HG SER 1 -5.333 -14.433 -8.388 5 H VAL 2 H VAL 2 -3.296 -14.405 -6.414 6 HA VAL 2 HA VAL 2 -4.178 -11.559 -6.168 7 HB VAL 2 HB VAL 2 -1.435 -12.759 -5.590 8 HG11 VAL 2 HG11 VAL 2 -0.899 -10.548 -4.690 9 HG12 VAL 2 HG12 VAL 2 -1.290 -10.484 -6.424 10 HG13 VAL 2 HG13 VAL 2 -2.487 -9.947 -5.221 11 HG21 VAL 2 HG21 VAL 2 -1.976 -12.242 -3.232 12 HG22 VAL 2 HG22 VAL 2 -3.597 -11.699 -3.723 13 HG23 VAL 2 HG23 VAL 2 -3.134 -13.406 -3.916 14 H LYS 3 H LYS 3 -4.435 -10.795 -8.169 15 HA LYS 3 HA LYS 3 -2.956 -11.778 -10.437 16 HB2 LYS 3 HB2 LYS 3 -5.235 -10.795 -10.605 17 HB3 LYS 3 HB3 LYS 3 -4.591 -9.227 -10.137 18 HG2 LYS 3 HG2 LYS 3 -3.243 -9.127 -12.168 19 HG3 LYS 3 HG3 LYS 3 -3.775 -10.752 -12.626 20 HD2 LYS 3 HD2 LYS 3 -6.119 -9.953 -12.725 21 HD3 LYS 3 HD3 LYS 3 -5.579 -8.328 -12.280 22 HE2 LYS 3 HE2 LYS 3 -4.226 -8.188 -14.321 23 HE3 LYS 3 HE3 LYS 3 -4.666 -9.841 -14.755 24 HZ1 LYS 3 HZ1 LYS 3 -5.998 -8.240 -15.918 25 HZ2 LYS 3 HZ2 LYS 3 -6.953 -9.130 -14.910 26 HZ3 LYS 3 HZ3 LYS 3 -6.542 -7.585 -14.505 27 H GLU 4 H GLU 4 -2.895 -8.593 -8.793 28 HA GLU 4 HA GLU 4 -0.119 -8.267 -9.856 29 HB2 GLU 4 HB2 GLU 4 -2.246 -6.153 -9.322 30 HB3 GLU 4 HB3 GLU 4 -0.574 -5.794 -9.733 31 HG2 GLU 4 HG2 GLU 4 -0.858 -6.952 -11.891 32 HG3 GLU 4 HG3 GLU 4 -2.538 -7.294 -11.480 33 H THR 5 H THR 5 1.445 -7.347 -8.545 34 HA THR 5 HA THR 5 0.715 -7.239 -5.646 35 HB THR 5 HB THR 5 2.974 -8.155 -5.141 36 HG1 THR 5 HG1 THR 5 4.299 -7.906 -6.797 37 HG21 THR 5 HG21 THR 5 2.526 -10.471 -5.852 38 HG22 THR 5 HG22 THR 5 1.035 -9.679 -5.291 39 HG23 THR 5 HG23 THR 5 1.334 -9.884 -7.032 40 H LYS 6 H LYS 6 1.279 -5.266 -8.025 41 HA LYS 6 HA LYS 6 3.704 -3.912 -7.510 42 HB2 LYS 6 HB2 LYS 6 2.336 -3.538 -9.531 43 HB3 LYS 6 HB3 LYS 6 1.074 -2.795 -8.560 44 HG2 LYS 6 HG2 LYS 6 2.587 -0.960 -7.955 45 HG3 LYS 6 HG3 LYS 6 3.892 -1.718 -8.878 46 HD2 LYS 6 HD2 LYS 6 2.572 -1.513 -10.947 47 HD3 LYS 6 HD3 LYS 6 1.234 -0.798 -10.036 48 HE2 LYS 6 HE2 LYS 6 2.672 1.097 -9.388 49 HE3 LYS 6 HE3 LYS 6 4.028 0.381 -10.261 50 HZ1 LYS 6 HZ1 LYS 6 2.930 2.054 -11.558 51 HZ2 LYS 6 HZ2 LYS 6 2.758 0.585 -12.286 52 HZ3 LYS 6 HZ3 LYS 6 1.490 1.256 -11.472 53 H LEU 7 H LEU 7 0.432 -3.251 -6.234 54 HA LEU 7 HA LEU 7 1.264 -0.975 -4.697 55 HB2 LEU 7 HB2 LEU 7 -1.144 -2.803 -4.403 56 HB3 LEU 7 HB3 LEU 7 -0.933 -1.275 -3.544 57 HG LEU 7 HG LEU 7 -1.220 -1.616 -6.549 58 HD11 LEU 7 HD11 LEU 7 -3.362 -0.470 -6.194 59 HD12 LEU 7 HD12 LEU 7 -3.284 -2.008 -5.304 60 HD13 LEU 7 HD13 LEU 7 -3.070 -0.468 -4.439 61 HD21 LEU 7 HD21 LEU 7 -1.263 0.855 -6.571 62 HD22 LEU 7 HD22 LEU 7 -0.942 0.877 -4.820 63 HD23 LEU 7 HD23 LEU 7 0.288 0.248 -5.943 64 H TYR 8 H TYR 8 1.074 -4.432 -4.032 65 HA TYR 8 HA TYR 8 1.514 -4.212 -1.193 66 HB2 TYR 8 HB2 TYR 8 1.957 -6.478 -3.173 67 HB3 TYR 8 HB3 TYR 8 2.245 -6.645 -1.448 68 HD1 TYR 8 HD1 TYR 8 -0.228 -6.574 -4.081 69 HD2 TYR 8 HD2 TYR 8 0.343 -6.364 0.165 70 HE1 TYR 8 HE1 TYR 8 -2.613 -7.116 -3.733 71 HE2 TYR 8 HE2 TYR 8 -2.042 -6.906 0.514 72 HH TYR 8 HH TYR 8 -4.168 -7.681 -2.208 73 H ASP 9 H ASP 9 3.649 -4.439 -4.001 74 HA ASP 9 HA ASP 9 6.068 -4.752 -2.457 75 HB2 ASP 9 HB2 ASP 9 5.536 -3.832 -5.305 76 HB3 ASP 9 HB3 ASP 9 7.158 -3.954 -4.634 77 H LEU 10 H LEU 10 4.276 -1.975 -3.740 78 HA LEU 10 HA LEU 10 6.197 0.024 -3.078 79 HB2 LEU 10 HB2 LEU 10 3.172 0.097 -3.294 80 HB3 LEU 10 HB3 LEU 10 4.149 1.537 -2.998 81 HG LEU 10 HG LEU 10 4.410 -0.237 -5.450 82 HD11 LEU 10 HD11 LEU 10 3.231 1.572 -6.617 83 HD12 LEU 10 HD12 LEU 10 2.217 0.832 -5.356 84 HD13 LEU 10 HD13 LEU 10 2.986 2.411 -5.068 85 HD21 LEU 10 HD21 LEU 10 5.720 1.675 -6.308 86 HD22 LEU 10 HD22 LEU 10 5.510 2.517 -4.755 87 HD23 LEU 10 HD23 LEU 10 6.453 1.009 -4.829 88 H LEU 11 H LEU 11 3.583 -1.481 -1.202 89 HA LEU 11 HA LEU 11 4.098 0.209 1.125 90 HB2 LEU 11 HB2 LEU 11 2.405 -2.282 0.725 91 HB3 LEU 11 HB3 LEU 11 2.494 -1.383 2.243 92 HG LEU 11 HG LEU 11 1.536 -0.177 -0.372 93 HD11 LEU 11 HD11 LEU 11 -0.723 -0.465 0.544 94 HD12 LEU 11 HD12 LEU 11 0.090 -2.028 0.290 95 HD13 LEU 11 HD13 LEU 11 -0.046 -1.351 1.931 96 HD21 LEU 11 HD21 LEU 11 0.636 1.560 1.139 97 HD22 LEU 11 HD22 LEU 11 1.332 0.703 2.537 98 HD23 LEU 11 HD23 LEU 11 2.403 1.416 1.307 99 H GLY 12 H GLY 12 5.121 -2.917 -0.077 100 HA2 GLY 12 HA2 GLY 12 7.017 -4.122 0.621 101 HA3 GLY 12 HA3 GLY 12 7.205 -3.034 1.984 102 H VAL 13 H VAL 13 4.340 -4.929 1.007 103 HA VAL 13 HA VAL 13 4.742 -6.738 3.318 104 HB VAL 13 HB VAL 13 3.377 -4.845 4.175 105 HG11 VAL 13 HG11 VAL 13 1.125 -4.457 3.298 106 HG12 VAL 13 HG12 VAL 13 2.381 -4.122 2.082 107 HG13 VAL 13 HG13 VAL 13 1.432 -5.627 1.994 108 HG21 VAL 13 HG21 VAL 13 1.491 -6.209 5.017 109 HG22 VAL 13 HG22 VAL 13 1.819 -7.431 3.766 110 HG23 VAL 13 HG23 VAL 13 3.015 -7.128 5.048 111 H SER 14 H SER 14 4.038 -8.765 2.973 112 HA SER 14 HA SER 14 3.379 -9.495 0.263 113 HB2 SER 14 HB2 SER 14 4.704 -10.970 1.665 114 HB3 SER 14 HB3 SER 14 3.410 -11.084 2.847 115 HG SER 14 HG SER 14 2.822 -12.700 1.739 116 HA PRO 15 HA PRO 15 -0.994 -9.290 0.461 117 HB2 PRO 15 HB2 PRO 15 -1.608 -10.971 -1.628 118 HB3 PRO 15 HB3 PRO 15 -0.953 -9.347 -1.877 119 HG2 PRO 15 HG2 PRO 15 0.519 -12.016 -1.835 120 HG3 PRO 15 HG3 PRO 15 0.645 -10.715 -3.025 121 HD2 PRO 15 HD2 PRO 15 2.464 -10.957 -1.018 122 HD3 PRO 15 HD3 PRO 15 1.927 -9.331 -1.604 123 H SER 16 H SER 16 0.923 -12.123 0.903 124 HA SER 16 HA SER 16 -1.270 -13.908 1.609 125 HB2 SER 16 HB2 SER 16 0.453 -15.445 2.282 126 HB3 SER 16 HB3 SER 16 0.947 -14.695 0.773 127 HG SER 16 HG SER 16 1.994 -14.508 3.286 128 H ALA 17 H ALA 17 0.240 -11.280 3.113 129 HA ALA 17 HA ALA 17 0.103 -12.192 5.845 130 HB1 ALA 17 HB1 ALA 17 0.365 -9.798 6.411 131 HB2 ALA 17 HB2 ALA 17 1.539 -10.317 5.179 132 HB3 ALA 17 HB3 ALA 17 0.109 -9.375 4.703 133 H ASN 18 H ASN 18 -1.375 -11.692 7.465 134 HA ASN 18 HA ASN 18 -4.144 -11.571 6.528 135 HB2 ASN 18 HB2 ASN 18 -4.748 -11.971 8.821 136 HB3 ASN 18 HB3 ASN 18 -3.416 -13.040 8.407 137 HD21 ASN 18 HD21 ASN 18 -1.911 -12.049 11.375 138 HD22 ASN 18 HD22 ASN 18 -2.627 -13.318 10.440 139 H GLU 19 H GLU 19 -5.566 -10.189 8.282 140 HA GLU 19 HA GLU 19 -5.414 -7.657 6.989 141 HB2 GLU 19 HB2 GLU 19 -7.495 -8.781 7.917 142 HB3 GLU 19 HB3 GLU 19 -6.962 -8.312 9.525 143 HG2 GLU 19 HG2 GLU 19 -8.559 -6.715 8.831 144 HG3 GLU 19 HG3 GLU 19 -6.987 -5.923 8.767 145 H GLN 20 H GLN 20 -4.558 -8.675 10.293 146 HA GLN 20 HA GLN 20 -3.953 -6.015 11.207 147 HB2 GLN 20 HB2 GLN 20 -4.487 -7.935 12.717 148 HB3 GLN 20 HB3 GLN 20 -2.960 -8.686 12.277 149 HG2 GLN 20 HG2 GLN 20 -2.763 -7.592 14.414 150 HG3 GLN 20 HG3 GLN 20 -1.749 -6.745 13.212 151 HE21 GLN 20 HE21 GLN 20 -3.099 -3.694 14.133 152 HE22 GLN 20 HE22 GLN 20 -1.713 -4.661 13.752 153 H GLU 21 H GLU 21 -2.016 -8.619 9.784 154 HA GLU 21 HA GLU 21 0.512 -7.283 10.166 155 HB2 GLU 21 HB2 GLU 21 -0.369 -9.511 8.292 156 HB3 GLU 21 HB3 GLU 21 1.288 -8.934 8.386 157 HG2 GLU 21 HG2 GLU 21 -0.294 -10.148 10.663 158 HG3 GLU 21 HG3 GLU 21 0.930 -10.968 9.696 159 H LEU 22 H LEU 22 -1.916 -7.305 7.595 160 HA LEU 22 HA LEU 22 -0.437 -5.751 5.708 161 HB2 LEU 22 HB2 LEU 22 -3.407 -6.048 6.247 162 HB3 LEU 22 HB3 LEU 22 -2.771 -5.066 4.924 163 HG LEU 22 HG LEU 22 -2.249 -8.041 5.241 164 HD11 LEU 22 HD11 LEU 22 -3.902 -8.310 3.447 165 HD12 LEU 22 HD12 LEU 22 -4.628 -7.599 4.908 166 HD13 LEU 22 HD13 LEU 22 -4.250 -6.566 3.508 167 HD21 LEU 22 HD21 LEU 22 -1.500 -7.838 2.894 168 HD22 LEU 22 HD22 LEU 22 -1.814 -6.086 2.946 169 HD23 LEU 22 HD23 LEU 22 -0.538 -6.792 3.967 170 H LYS 23 H LYS 23 -2.580 -4.845 8.406 171 HA LYS 23 HA LYS 23 -2.482 -2.034 8.007 172 HB2 LYS 23 HB2 LYS 23 -2.827 -3.723 10.509 173 HB3 LYS 23 HB3 LYS 23 -2.914 -1.966 10.534 174 HG2 LYS 23 HG2 LYS 23 -4.804 -2.031 8.950 175 HG3 LYS 23 HG3 LYS 23 -4.716 -3.798 8.925 176 HD2 LYS 23 HD2 LYS 23 -5.170 -3.867 11.350 177 HD3 LYS 23 HD3 LYS 23 -5.232 -2.098 11.393 178 HE2 LYS 23 HE2 LYS 23 -7.149 -2.122 9.834 179 HE3 LYS 23 HE3 LYS 23 -7.085 -3.886 9.776 180 HZ1 LYS 23 HZ1 LYS 23 -8.733 -3.113 11.317 181 HZ2 LYS 23 HZ2 LYS 23 -7.547 -3.923 12.130 182 HZ3 LYS 23 HZ3 LYS 23 -7.608 -2.275 12.184 183 H LYS 24 H LYS 24 -0.297 -4.229 9.747 184 HA LYS 24 HA LYS 24 1.483 -2.249 10.744 185 HB2 LYS 24 HB2 LYS 24 1.954 -5.128 9.885 186 HB3 LYS 24 HB3 LYS 24 3.191 -4.135 10.642 187 HG2 LYS 24 HG2 LYS 24 1.804 -3.898 12.653 188 HG3 LYS 24 HG3 LYS 24 0.519 -4.844 11.890 189 HD2 LYS 24 HD2 LYS 24 2.094 -6.768 11.685 190 HD3 LYS 24 HD3 LYS 24 3.329 -5.817 12.527 191 HE2 LYS 24 HE2 LYS 24 1.886 -5.661 14.510 192 HE3 LYS 24 HE3 LYS 24 0.606 -6.543 13.672 193 HZ1 LYS 24 HZ1 LYS 24 1.871 -7.973 15.101 194 HZ2 LYS 24 HZ2 LYS 24 2.078 -8.431 13.530 195 HZ3 LYS 24 HZ3 LYS 24 3.275 -7.609 14.314 196 H GLY 25 H GLY 25 1.374 -3.936 7.613 197 HA2 GLY 25 HA2 GLY 25 3.722 -2.720 6.508 198 HA3 GLY 25 HA3 GLY 25 2.406 -3.435 5.596 199 H TYR 26 H TYR 26 0.289 -1.778 6.591 200 HA TYR 26 HA TYR 26 0.478 0.444 4.821 201 HB2 TYR 26 HB2 TYR 26 -1.386 -0.001 7.188 202 HB3 TYR 26 HB3 TYR 26 -1.602 1.233 5.955 203 HD1 TYR 26 HD1 TYR 26 -3.788 -0.531 6.410 204 HD2 TYR 26 HD2 TYR 26 -0.296 -1.156 3.996 205 HE1 TYR 26 HE1 TYR 26 -5.040 -2.143 5.015 206 HE2 TYR 26 HE2 TYR 26 -1.549 -2.765 2.601 207 HH TYR 26 HH TYR 26 -4.990 -3.418 3.185 208 H ARG 27 H ARG 27 0.918 0.204 8.344 209 HA ARG 27 HA ARG 27 1.318 3.070 8.632 210 HB2 ARG 27 HB2 ARG 27 1.793 0.737 10.512 211 HB3 ARG 27 HB3 ARG 27 2.058 2.415 10.959 212 HG2 ARG 27 HG2 ARG 27 -0.288 2.926 10.669 213 HG3 ARG 27 HG3 ARG 27 -0.600 1.288 10.042 214 HD2 ARG 27 HD2 ARG 27 0.085 0.346 12.172 215 HD3 ARG 27 HD3 ARG 27 0.392 1.983 12.799 216 HE ARG 27 HE ARG 27 -2.246 1.909 11.833 217 HH11 ARG 27 HH11 ARG 27 -0.312 0.462 14.382 218 HH12 ARG 27 HH12 ARG 27 -1.665 0.273 15.474 219 HH21 ARG 27 HH21 ARG 27 -3.996 1.659 13.260 220 HH22 ARG 27 HH22 ARG 27 -3.751 0.950 14.840 221 H LYS 28 H LYS 28 3.390 0.201 8.407 222 HA LYS 28 HA LYS 28 5.870 1.398 9.018 223 HB2 LYS 28 HB2 LYS 28 5.580 -1.029 8.711 224 HB3 LYS 28 HB3 LYS 28 5.246 -0.795 7.002 225 HG2 LYS 28 HG2 LYS 28 7.527 0.041 6.646 226 HG3 LYS 28 HG3 LYS 28 7.867 -0.134 8.374 227 HD2 LYS 28 HD2 LYS 28 8.762 -2.075 7.307 228 HD3 LYS 28 HD3 LYS 28 7.288 -2.596 8.135 229 HE2 LYS 28 HE2 LYS 28 6.033 -2.552 6.058 230 HE3 LYS 28 HE3 LYS 28 7.398 -1.836 5.195 231 HZ1 LYS 28 HZ1 LYS 28 7.245 -4.184 4.809 232 HZ2 LYS 28 HZ2 LYS 28 8.642 -3.843 5.616 233 HZ3 LYS 28 HZ3 LYS 28 7.367 -4.513 6.420 234 H ALA 29 H ALA 29 4.356 0.993 5.795 235 HA ALA 29 HA ALA 29 6.415 2.388 4.407 236 HB1 ALA 29 HB1 ALA 29 4.786 2.510 2.549 237 HB2 ALA 29 HB2 ALA 29 4.837 0.887 3.276 238 HB3 ALA 29 HB3 ALA 29 3.495 1.991 3.656 239 H ALA 30 H ALA 30 3.332 3.483 5.794 240 HA ALA 30 HA ALA 30 3.355 6.096 4.715 241 HB1 ALA 30 HB1 ALA 30 1.837 6.671 6.582 242 HB2 ALA 30 HB2 ALA 30 1.391 5.125 5.821 243 HB3 ALA 30 HB3 ALA 30 2.250 5.136 7.379 244 H LEU 31 H LEU 31 4.786 4.827 7.715 245 HA LEU 31 HA LEU 31 5.872 7.415 8.476 246 HB2 LEU 31 HB2 LEU 31 6.459 4.587 9.418 247 HB3 LEU 31 HB3 LEU 31 7.182 6.033 10.129 248 HG LEU 31 HG LEU 31 4.206 5.422 10.085 249 HD11 LEU 31 HD11 LEU 31 4.506 4.958 12.477 250 HD12 LEU 31 HD12 LEU 31 5.448 3.838 11.466 251 HD13 LEU 31 HD13 LEU 31 6.261 5.182 12.300 252 HD21 LEU 31 HD21 LEU 31 4.100 7.305 11.684 253 HD22 LEU 31 HD22 LEU 31 5.850 7.563 11.497 254 HD23 LEU 31 HD23 LEU 31 4.760 7.832 10.116 255 H LYS 32 H LYS 32 7.001 4.602 6.676 256 HA LYS 32 HA LYS 32 9.783 5.106 6.799 257 HB2 LYS 32 HB2 LYS 32 8.763 3.000 5.948 258 HB3 LYS 32 HB3 LYS 32 8.193 3.857 4.524 259 HG2 LYS 32 HG2 LYS 32 10.478 4.280 3.800 260 HG3 LYS 32 HG3 LYS 32 11.112 3.557 5.286 261 HD2 LYS 32 HD2 LYS 32 10.072 1.391 4.669 262 HD3 LYS 32 HD3 LYS 32 9.457 2.118 3.177 263 HE2 LYS 32 HE2 LYS 32 11.776 2.596 2.455 264 HE3 LYS 32 HE3 LYS 32 12.390 1.867 3.941 265 HZ1 LYS 32 HZ1 LYS 32 12.449 0.333 2.115 266 HZ2 LYS 32 HZ2 LYS 32 11.396 -0.210 3.264 267 HZ3 LYS 32 HZ3 LYS 32 10.824 0.471 1.875 268 H TYR 33 H TYR 33 7.293 6.371 4.615 269 HA TYR 33 HA TYR 33 9.380 8.180 3.465 270 HB2 TYR 33 HB2 TYR 33 6.826 7.170 2.145 271 HB3 TYR 33 HB3 TYR 33 7.987 8.276 1.423 272 HD1 TYR 33 HD1 TYR 33 7.054 4.870 1.880 273 HD2 TYR 33 HD2 TYR 33 10.417 7.434 1.154 274 HE1 TYR 33 HE1 TYR 33 8.326 2.949 0.984 275 HE2 TYR 33 HE2 TYR 33 11.688 5.513 0.258 276 HH TYR 33 HH TYR 33 11.611 3.367 -0.326 277 H HIS 34 H HIS 34 7.755 8.545 5.899 278 HA HIS 34 HA HIS 34 5.461 10.128 5.522 279 HB2 HIS 34 HB2 HIS 34 6.485 9.220 7.711 280 HB3 HIS 34 HB3 HIS 34 7.492 10.662 7.704 281 HD2 HIS 34 HD2 HIS 34 3.953 9.589 8.722 282 HE1 HIS 34 HE1 HIS 34 4.081 13.845 8.919 283 HE2 HIS 34 HE2 HIS 34 2.745 11.755 9.511 284 HA PRO 35 HA PRO 35 6.725 13.663 3.401 285 HB2 PRO 35 HB2 PRO 35 4.632 14.975 5.192 286 HB3 PRO 35 HB3 PRO 35 4.864 15.152 3.448 287 HG2 PRO 35 HG2 PRO 35 2.927 13.543 4.291 288 HG3 PRO 35 HG3 PRO 35 3.960 13.001 2.965 289 HD2 PRO 35 HD2 PRO 35 4.050 12.236 5.904 290 HD3 PRO 35 HD3 PRO 35 4.296 11.196 4.444 291 H ASP 36 H ASP 36 6.318 13.723 6.931 292 HA ASP 36 HA ASP 36 7.985 16.158 7.150 293 HB2 ASP 36 HB2 ASP 36 6.447 14.547 9.223 294 HB3 ASP 36 HB3 ASP 36 7.416 15.964 9.602 295 H LYS 37 H LYS 37 8.660 13.039 6.684 296 HA LYS 37 HA LYS 37 10.719 12.715 8.749 297 HB2 LYS 37 HB2 LYS 37 9.482 10.758 7.849 298 HB3 LYS 37 HB3 LYS 37 10.138 11.078 6.248 299 HG2 LYS 37 HG2 LYS 37 12.394 10.603 7.021 300 HG3 LYS 37 HG3 LYS 37 11.821 10.424 8.685 301 HD2 LYS 37 HD2 LYS 37 10.534 8.464 8.114 302 HD3 LYS 37 HD3 LYS 37 10.819 8.712 6.386 303 HE2 LYS 37 HE2 LYS 37 13.232 8.323 6.717 304 HE3 LYS 37 HE3 LYS 37 12.971 8.107 8.450 305 HZ1 LYS 37 HZ1 LYS 37 13.103 6.015 7.309 306 HZ2 LYS 37 HZ2 LYS 37 11.592 6.209 7.945 307 HZ3 LYS 37 HZ3 LYS 37 11.839 6.409 6.327 308 HA PRO 38 HA PRO 38 13.745 15.153 6.807 309 HB2 PRO 38 HB2 PRO 38 15.552 13.106 8.170 310 HB3 PRO 38 HB3 PRO 38 15.710 14.866 8.127 311 HG2 PRO 38 HG2 PRO 38 14.706 13.756 10.322 312 HG3 PRO 38 HG3 PRO 38 13.930 15.205 9.677 313 HD2 PRO 38 HD2 PRO 38 13.080 12.299 9.427 314 HD3 PRO 38 HD3 PRO 38 12.060 13.770 9.692 315 H THR 39 H THR 39 13.969 11.588 6.777 316 HA THR 39 HA THR 39 15.169 11.765 4.045 317 HB THR 39 HB THR 39 16.057 9.460 4.466 318 HG1 THR 39 HG1 THR 39 16.032 9.234 7.030 319 HG21 THR 39 HG21 THR 39 17.838 10.140 6.027 320 HG22 THR 39 HG22 THR 39 17.474 11.443 4.870 321 HG23 THR 39 HG23 THR 39 16.863 11.538 6.537 322 H GLY 40 H GLY 40 12.370 11.998 4.566 323 HA2 GLY 40 HA2 GLY 40 11.223 9.408 3.726 324 HA3 GLY 40 HA3 GLY 40 10.333 10.877 4.082 325 H ASP 41 H ASP 41 9.169 10.392 2.085 326 HA ASP 41 HA ASP 41 10.332 11.804 -0.184 327 HB2 ASP 41 HB2 ASP 41 11.298 9.521 -0.470 328 HB3 ASP 41 HB3 ASP 41 9.675 8.845 -0.485 329 H THR 42 H THR 42 8.712 13.116 -0.638 330 HA THR 42 HA THR 42 6.011 12.568 0.131 331 HB THR 42 HB THR 42 7.104 14.667 -1.791 332 HG1 THR 42 HG1 THR 42 6.630 15.933 0.247 333 HG21 THR 42 HG21 THR 42 4.994 15.854 -1.339 334 HG22 THR 42 HG22 THR 42 4.685 14.277 -2.104 335 HG23 THR 42 HG23 THR 42 4.427 14.484 -0.356 336 H GLU 43 H GLU 43 7.704 12.384 -2.987 337 HA GLU 43 HA GLU 43 5.361 11.878 -4.554 338 HB2 GLU 43 HB2 GLU 43 8.304 11.269 -5.011 339 HB3 GLU 43 HB3 GLU 43 7.065 10.918 -6.206 340 HG2 GLU 43 HG2 GLU 43 7.634 13.665 -5.073 341 HG3 GLU 43 HG3 GLU 43 8.275 13.043 -6.593 342 H LYS 44 H LYS 44 7.701 9.730 -2.947 343 HA LYS 44 HA LYS 44 6.415 7.298 -3.832 344 HB2 LYS 44 HB2 LYS 44 8.780 7.411 -3.040 345 HB3 LYS 44 HB3 LYS 44 8.208 7.775 -1.417 346 HG2 LYS 44 HG2 LYS 44 8.824 5.430 -1.617 347 HG3 LYS 44 HG3 LYS 44 7.090 5.589 -1.303 348 HD2 LYS 44 HD2 LYS 44 7.438 3.911 -3.025 349 HD3 LYS 44 HD3 LYS 44 6.652 5.324 -3.745 350 HE2 LYS 44 HE2 LYS 44 8.805 6.109 -4.623 351 HE3 LYS 44 HE3 LYS 44 9.638 4.762 -3.845 352 HZ1 LYS 44 HZ1 LYS 44 9.224 4.330 -6.153 353 HZ2 LYS 44 HZ2 LYS 44 8.377 3.259 -5.227 354 HZ3 LYS 44 HZ3 LYS 44 7.599 4.518 -5.954 355 H PHE 45 H PHE 45 6.077 9.402 -1.006 356 HA PHE 45 HA PHE 45 4.353 7.757 0.524 357 HB2 PHE 45 HB3 PHE 45 5.395 9.900 1.304 358 HB3 PHE 45 HB2 PHE 45 4.287 10.791 0.273 359 HD1 PHE 45 HD1 PHE 45 2.171 11.395 1.039 360 HD2 PHE 45 HD2 PHE 45 4.379 8.379 3.109 361 HE1 PHE 45 HE1 PHE 45 0.493 11.415 2.855 362 HE2 PHE 45 HE2 PHE 45 2.703 8.394 4.925 363 HZ PHE 45 HZ PHE 45 0.759 9.914 4.798 364 H LYS 46 H LYS 46 3.645 10.050 -2.104 365 HA LYS 46 HA LYS 46 0.800 9.785 -1.982 366 HB2 LYS 46 HB2 LYS 46 2.696 10.561 -4.225 367 HB3 LYS 46 HB3 LYS 46 0.950 10.545 -4.428 368 HG2 LYS 46 HG2 LYS 46 0.785 12.162 -2.500 369 HG3 LYS 46 HG3 LYS 46 2.552 12.270 -2.524 370 HD2 LYS 46 HD2 LYS 46 0.883 12.769 -5.005 371 HD3 LYS 46 HD3 LYS 46 1.234 14.051 -3.837 372 HE2 LYS 46 HE2 LYS 46 3.685 13.558 -4.127 373 HE3 LYS 46 HE3 LYS 46 3.261 12.414 -5.402 374 HZ1 LYS 46 HZ1 LYS 46 3.837 14.552 -6.290 375 HZ2 LYS 46 HZ2 LYS 46 2.251 14.226 -6.611 376 HZ3 LYS 46 HZ3 LYS 46 2.649 15.293 -5.419 377 H GLU 47 H GLU 47 3.308 7.951 -3.688 378 HA GLU 47 HA GLU 47 1.536 6.346 -5.249 379 HB2 GLU 47 HB2 GLU 47 4.350 5.853 -4.207 380 HB3 GLU 47 HB3 GLU 47 3.514 4.727 -5.266 381 HG2 GLU 47 HG2 GLU 47 3.334 6.467 -6.991 382 HG3 GLU 47 HG3 GLU 47 4.152 7.610 -5.927 383 H ILE 48 H ILE 48 2.969 5.859 -2.021 384 HA ILE 48 HA ILE 48 1.682 3.262 -1.710 385 HB ILE 48 HB ILE 48 2.604 3.320 0.577 386 HG12 ILE 48 HG12 ILE 48 3.527 6.133 -0.048 387 HG13 ILE 48 HG13 ILE 48 2.138 5.745 0.954 388 HG21 ILE 48 HG21 ILE 48 4.989 3.515 -0.001 389 HG22 ILE 48 HG22 ILE 48 4.089 2.666 -1.279 390 HG23 ILE 48 HG23 ILE 48 4.560 4.368 -1.503 391 HD11 ILE 48 HD11 ILE 48 4.094 6.226 2.316 392 HD12 ILE 48 HD12 ILE 48 3.589 4.532 2.521 393 HD13 ILE 48 HD13 ILE 48 4.998 4.926 1.506 394 H SER 49 H SER 49 0.831 6.563 -1.133 395 HA SER 49 HA SER 49 -1.281 6.106 0.757 396 HB2 SER 49 HB2 SER 49 -0.880 8.245 -1.358 397 HB3 SER 49 HB3 SER 49 -2.179 8.272 -0.176 398 HG SER 49 HG SER 49 0.578 8.156 0.381 399 H GLU 50 H GLU 50 -1.188 6.171 -2.811 400 HA GLU 50 HA GLU 50 -3.931 5.436 -3.184 401 HB2 GLU 50 HB2 GLU 50 -1.447 5.052 -4.892 402 HB3 GLU 50 HB3 GLU 50 -3.043 4.541 -5.420 403 HG2 GLU 50 HG2 GLU 50 -3.850 6.863 -5.213 404 HG3 GLU 50 HG3 GLU 50 -2.241 7.369 -4.706 405 H ALA 51 H ALA 51 -0.946 3.508 -2.866 406 HA ALA 51 HA ALA 51 -2.132 0.955 -3.150 407 HB1 ALA 51 HB1 ALA 51 -0.187 0.123 -1.870 408 HB2 ALA 51 HB2 ALA 51 0.296 1.303 -3.113 409 HB3 ALA 51 HB3 ALA 51 0.212 1.794 -1.407 410 H PHE 52 H PHE 52 -1.733 3.003 -0.266 411 HA PHE 52 HA PHE 52 -2.827 1.188 1.619 412 HB2 PHE 52 HB3 PHE 52 -1.704 3.177 2.387 413 HB3 PHE 52 HB2 PHE 52 -2.806 4.224 1.509 414 HD1 PHE 52 HD1 PHE 52 -2.780 1.647 4.212 415 HD2 PHE 52 HD2 PHE 52 -4.629 5.142 2.597 416 HE1 PHE 52 HE1 PHE 52 -4.218 1.808 6.216 417 HE2 PHE 52 HE2 PHE 52 -6.069 5.308 4.601 418 HZ PHE 52 HZ PHE 52 -5.865 3.639 6.409 419 H GLU 53 H GLU 53 -4.472 3.906 -0.052 420 HA GLU 53 HA GLU 53 -7.022 3.411 1.037 421 HB2 GLU 53 HB2 GLU 53 -6.450 5.495 -0.137 422 HB3 GLU 53 HB3 GLU 53 -6.279 4.625 -1.655 423 HG2 GLU 53 HG2 GLU 53 -8.680 4.028 -1.565 424 HG3 GLU 53 HG3 GLU 53 -8.838 4.953 -0.073 425 H ILE 54 H ILE 54 -5.618 2.254 -2.036 426 HA ILE 54 HA ILE 54 -7.981 0.941 -2.939 427 HB ILE 54 HB ILE 54 -5.042 0.530 -3.601 428 HG12 ILE 54 HG12 ILE 54 -7.262 1.698 -5.283 429 HG13 ILE 54 HG13 ILE 54 -6.244 2.670 -4.232 430 HG21 ILE 54 HG21 ILE 54 -5.802 -0.839 -5.499 431 HG22 ILE 54 HG22 ILE 54 -6.245 -1.593 -3.949 432 HG23 ILE 54 HG23 ILE 54 -7.477 -0.738 -4.906 433 HD11 ILE 54 HD11 ILE 54 -5.438 2.721 -6.525 434 HD12 ILE 54 HD12 ILE 54 -4.249 1.932 -5.461 435 HD13 ILE 54 HD13 ILE 54 -5.281 0.949 -6.528 436 H LEU 55 H LEU 55 -5.222 -0.188 -1.006 437 HA LEU 55 HA LEU 55 -6.337 -2.920 -0.956 438 HB2 LEU 55 HB2 LEU 55 -3.816 -1.743 0.267 439 HB3 LEU 55 HB3 LEU 55 -4.269 -3.451 0.326 440 HG LEU 55 HG LEU 55 -3.628 -1.869 -2.190 441 HD11 LEU 55 HD11 LEU 55 -1.619 -3.279 -2.245 442 HD12 LEU 55 HD12 LEU 55 -1.678 -2.275 -0.777 443 HD13 LEU 55 HD13 LEU 55 -2.086 -4.006 -0.689 444 HD21 LEU 55 HD21 LEU 55 -3.758 -4.078 -3.291 445 HD22 LEU 55 HD22 LEU 55 -4.255 -4.817 -1.748 446 HD23 LEU 55 HD23 LEU 55 -5.318 -3.637 -2.554 447 H ASN 56 H ASN 56 -6.615 -0.059 0.826 448 HA ASN 56 HA ASN 56 -7.208 -1.350 3.382 449 HB2 ASN 56 HB2 ASN 56 -6.396 0.997 3.223 450 HB3 ASN 56 HB3 ASN 56 -7.885 1.441 2.396 451 HD21 ASN 56 HD21 ASN 56 -9.505 2.108 5.362 452 HD22 ASN 56 HD22 ASN 56 -9.234 2.456 3.687 453 H ASP 57 H ASP 57 -9.195 0.296 0.897 454 HA ASP 57 HA ASP 57 -11.689 -0.661 1.926 455 HB2 ASP 57 HB2 ASP 57 -11.451 1.241 0.319 456 HB3 ASP 57 HB3 ASP 57 -10.976 0.104 -0.935 457 HA PRO 58 HA PRO 58 -11.088 -4.936 1.095 458 HB2 PRO 58 HB2 PRO 58 -14.122 -4.790 1.387 459 HB3 PRO 58 HB3 PRO 58 -13.003 -5.983 2.058 460 HG2 PRO 58 HG2 PRO 58 -13.889 -4.060 3.663 461 HG3 PRO 58 HG3 PRO 58 -12.173 -4.479 3.714 462 HD2 PRO 58 HD2 PRO 58 -13.537 -2.131 2.350 463 HD3 PRO 58 HD3 PRO 58 -11.968 -2.177 3.251 464 H GLN 59 H GLN 59 -13.601 -2.927 -0.437 465 HA GLN 59 HA GLN 59 -14.185 -4.754 -2.580 466 HB2 GLN 59 HB2 GLN 59 -14.617 -1.759 -2.278 467 HB3 GLN 59 HB3 GLN 59 -15.180 -2.678 -3.667 468 HG2 GLN 59 HG2 GLN 59 -16.593 -4.049 -2.229 469 HG3 GLN 59 HG3 GLN 59 -15.993 -3.171 -0.794 470 HE21 GLN 59 HE21 GLN 59 -19.290 -1.767 -1.820 471 HE22 GLN 59 HE22 GLN 59 -18.709 -3.337 -1.370 472 H LYS 60 H LYS 60 -12.177 -1.798 -2.424 473 HA LYS 60 HA LYS 60 -11.255 -2.026 -5.135 474 HB2 LYS 60 HB2 LYS 60 -10.159 -0.539 -2.719 475 HB3 LYS 60 HB3 LYS 60 -9.439 -0.428 -4.320 476 HG2 LYS 60 HG2 LYS 60 -11.552 0.476 -5.215 477 HG3 LYS 60 HG3 LYS 60 -12.280 0.360 -3.607 478 HD2 LYS 60 HD2 LYS 60 -10.555 1.905 -2.720 479 HD3 LYS 60 HD3 LYS 60 -9.846 2.031 -4.337 480 HE2 LYS 60 HE2 LYS 60 -11.954 2.973 -5.201 481 HE3 LYS 60 HE3 LYS 60 -12.690 2.822 -3.602 482 HZ1 LYS 60 HZ1 LYS 60 -11.894 5.035 -4.001 483 HZ2 LYS 60 HZ2 LYS 60 -11.043 4.352 -2.765 484 HZ3 LYS 60 HZ3 LYS 60 -10.357 4.495 -4.258 485 H ARG 61 H ARG 61 -10.076 -3.273 -2.053 486 HA ARG 61 HA ARG 61 -7.534 -4.184 -2.893 487 HB2 ARG 61 HB2 ARG 61 -8.330 -4.209 -0.546 488 HB3 ARG 61 HB3 ARG 61 -9.455 -5.500 -0.939 489 HG2 ARG 61 HG2 ARG 61 -7.480 -6.923 -1.578 490 HG3 ARG 61 HG3 ARG 61 -6.434 -5.633 -0.937 491 HD2 ARG 61 HD2 ARG 61 -8.572 -7.095 0.596 492 HD3 ARG 61 HD3 ARG 61 -6.822 -7.399 0.687 493 HE ARG 61 HE ARG 61 -7.166 -4.690 1.217 494 HH11 ARG 61 HH11 ARG 61 -8.195 -7.741 2.622 495 HH12 ARG 61 HH12 ARG 61 -8.268 -7.108 4.252 496 HH21 ARG 61 HH21 ARG 61 -7.265 -3.881 3.336 497 HH22 ARG 61 HH22 ARG 61 -7.741 -4.924 4.657 498 H GLU 62 H GLU 62 -10.699 -5.851 -2.972 499 HA GLU 62 HA GLU 62 -9.649 -8.226 -4.218 500 HB2 GLU 62 HB2 GLU 62 -12.460 -7.104 -3.944 501 HB3 GLU 62 HB3 GLU 62 -12.123 -8.633 -4.745 502 HG2 GLU 62 HG2 GLU 62 -11.487 -7.962 -1.864 503 HG3 GLU 62 HG3 GLU 62 -12.838 -8.940 -2.431 504 H ILE 63 H ILE 63 -11.170 -5.263 -5.445 505 HA ILE 63 HA ILE 63 -11.327 -6.042 -8.176 506 HB ILE 63 HB ILE 63 -11.001 -3.318 -6.859 507 HG12 ILE 63 HG12 ILE 63 -13.395 -4.537 -8.243 508 HG13 ILE 63 HG13 ILE 63 -13.105 -4.676 -6.516 509 HG21 ILE 63 HG21 ILE 63 -11.590 -2.351 -9.044 510 HG22 ILE 63 HG22 ILE 63 -10.050 -3.236 -9.131 511 HG23 ILE 63 HG23 ILE 63 -11.534 -3.970 -9.781 512 HD11 ILE 63 HD11 ILE 63 -14.650 -2.864 -7.002 513 HD12 ILE 63 HD12 ILE 63 -13.142 -2.230 -6.300 514 HD13 ILE 63 HD13 ILE 63 -13.438 -2.088 -8.048 515 H TYR 64 H TYR 64 -8.698 -4.574 -6.286 516 HA TYR 64 HA TYR 64 -6.888 -4.201 -8.457 517 HB2 TYR 64 HB2 TYR 64 -6.480 -3.146 -6.306 518 HB3 TYR 64 HB3 TYR 64 -6.402 -4.705 -5.497 519 HD1 TYR 64 HD1 TYR 64 -4.763 -2.942 -8.378 520 HD2 TYR 64 HD2 TYR 64 -4.322 -5.532 -4.985 521 HE1 TYR 64 HE1 TYR 64 -2.320 -3.012 -8.747 522 HE2 TYR 64 HE2 TYR 64 -1.881 -5.602 -5.356 523 HH TYR 64 HH TYR 64 -0.395 -3.995 -8.143 524 H ASP 65 H ASP 65 -7.419 -6.978 -6.286 525 HA ASP 65 HA ASP 65 -5.125 -8.378 -7.465 526 HB2 ASP 65 HB2 ASP 65 -7.117 -9.098 -5.285 527 HB3 ASP 65 HB3 ASP 65 -5.891 -10.223 -5.856 528 H GLN 66 H GLN 66 -8.200 -7.871 -8.483 529 HA GLN 66 HA GLN 66 -8.305 -10.546 -9.814 530 HB2 GLN 66 HB2 GLN 66 -10.583 -8.724 -8.953 531 HB3 GLN 66 HB3 GLN 66 -10.794 -10.103 -10.021 532 HG2 GLN 66 HG2 GLN 66 -9.953 -11.599 -8.251 533 HG3 GLN 66 HG3 GLN 66 -9.796 -10.189 -7.168 534 HE21 GLN 66 HE21 GLN 66 -12.980 -10.893 -5.955 535 HE22 GLN 66 HE22 GLN 66 -11.286 -10.708 -5.637 536 H TYR 67 H TYR 67 -8.935 -7.062 -10.149 537 HA TYR 67 HA TYR 67 -9.128 -7.447 -13.096 538 HB2 TYR 67 HB2 TYR 67 -9.910 -5.082 -11.341 539 HB3 TYR 67 HB3 TYR 67 -10.059 -5.124 -13.092 540 HD1 TYR 67 HD1 TYR 67 -11.927 -6.088 -14.142 541 HD2 TYR 67 HD2 TYR 67 -11.224 -6.761 -9.963 542 HE1 TYR 67 HE1 TYR 67 -14.169 -7.104 -13.928 543 HE2 TYR 67 HE2 TYR 67 -13.467 -7.777 -9.750 544 HH TYR 67 HH TYR 67 -15.414 -8.171 -10.771 545 H GLY 68 H GLY 68 -7.528 -5.409 -10.642 546 HA2 GLY 68 HA2 GLY 68 -4.995 -5.381 -11.103 547 HA3 GLY 68 HA3 GLY 68 -5.435 -4.782 -12.690 548 H LEU 69 H LEU 69 -3.803 -3.159 -11.501 549 HA LEU 69 HA LEU 69 -4.794 -1.392 -9.514 550 HB2 LEU 69 HB2 LEU 69 -2.428 -1.518 -10.054 551 HB3 LEU 69 HB3 LEU 69 -2.733 -0.966 -11.705 552 HG LEU 69 HG LEU 69 -3.431 1.244 -10.827 553 HD11 LEU 69 HD11 LEU 69 -3.051 1.769 -8.460 554 HD12 LEU 69 HD12 LEU 69 -4.282 0.500 -8.663 555 HD13 LEU 69 HD13 LEU 69 -2.635 0.067 -8.149 556 HD21 LEU 69 HD21 LEU 69 -1.172 1.955 -10.114 557 HD22 LEU 69 HD22 LEU 69 -0.728 0.255 -9.826 558 HD23 LEU 69 HD23 LEU 69 -1.084 0.815 -11.478 559 H GLU 70 H GLU 70 -4.751 -1.070 -13.076 560 HA GLU 70 HA GLU 70 -5.739 1.513 -13.318 561 HB2 GLU 70 HB2 GLU 70 -5.028 0.100 -15.227 562 HB3 GLU 70 HB3 GLU 70 -6.467 -0.892 -15.040 563 HG2 GLU 70 HG2 GLU 70 -7.884 1.038 -15.570 564 HG3 GLU 70 HG3 GLU 70 -6.454 2.055 -15.728 565 H ALA 71 H ALA 71 -7.645 -1.485 -12.947 566 HA ALA 71 HA ALA 71 -10.182 -0.151 -13.033 567 HB1 ALA 71 HB1 ALA 71 -11.073 -2.270 -12.122 568 HB2 ALA 71 HB2 ALA 71 -9.951 -2.554 -13.474 569 HB3 ALA 71 HB3 ALA 71 -9.413 -2.821 -11.799 570 H ALA 72 H ALA 72 -8.286 -1.436 -10.278 571 HA ALA 72 HA ALA 72 -10.189 -0.638 -8.318 572 HB1 ALA 72 HB1 ALA 72 -8.366 -1.025 -6.693 573 HB2 ALA 72 HB2 ALA 72 -8.476 -2.341 -7.887 574 HB3 ALA 72 HB3 ALA 72 -7.199 -1.110 -8.033 575 H ARG 73 H ARG 73 -7.440 1.033 -9.764 576 HA ARG 73 HA ARG 73 -7.365 3.216 -7.912 577 HB2 ARG 73 HB2 ARG 73 -5.584 2.591 -9.607 578 HB3 ARG 73 HB3 ARG 73 -6.607 3.294 -10.851 579 HG2 ARG 73 HG2 ARG 73 -6.447 5.482 -9.818 580 HG3 ARG 73 HG3 ARG 73 -5.527 4.802 -8.455 581 HD2 ARG 73 HD2 ARG 73 -3.828 4.043 -10.121 582 HD3 ARG 73 HD3 ARG 73 -4.704 5.002 -11.337 583 HE ARG 73 HE ARG 73 -3.103 6.000 -9.092 584 HH11 ARG 73 HH11 ARG 73 -5.334 6.714 -11.710 585 HH12 ARG 73 HH12 ARG 73 -4.932 8.416 -11.756 586 HH21 ARG 73 HH21 ARG 73 -2.589 8.211 -9.161 587 HH22 ARG 73 HH22 ARG 73 -3.379 9.265 -10.314 588 H SER 74 H SER 74 -9.087 2.711 -10.988 589 HA SER 74 HA SER 74 -10.360 5.320 -10.915 590 HB2 SER 74 HB2 SER 74 -11.620 4.550 -12.805 591 HB3 SER 74 HB3 SER 74 -9.969 3.982 -12.997 592 HG SER 74 HG SER 74 -10.574 1.993 -12.309 593 H GLY 75 H GLY 75 -10.952 2.242 -9.451 594 HA2 GLY 75 HA2 GLY 75 -12.593 2.351 -7.540 595 HA3 GLY 75 HA3 GLY 75 -13.692 3.158 -8.643 596 H GLY 76 H GLY 76 -12.563 1.303 -10.846 597 HA2 GLY 76 HA2 GLY 76 -12.782 -0.906 -11.599 598 HA3 GLY 76 HA3 GLY 76 -13.309 -1.393 -9.998 599 HA PRO 77 HA PRO 77 -16.938 -1.616 -12.851 600 HB2 PRO 77 HB2 PRO 77 -17.476 -3.889 -10.921 601 HB3 PRO 77 HB3 PRO 77 -17.674 -3.849 -12.677 602 HG2 PRO 77 HG2 PRO 77 -15.563 -5.123 -11.659 603 HG3 PRO 77 HG3 PRO 77 -15.346 -4.107 -13.088 604 HD2 PRO 77 HD2 PRO 77 -14.749 -3.460 -10.169 605 HD3 PRO 77 HD3 PRO 77 -13.739 -3.137 -11.636 606 H SER 78 H SER 78 -19.113 -1.070 -12.370 607 HA SER 78 HA SER 78 -19.428 0.580 -10.041 608 HB2 SER 78 HB2 SER 78 -21.657 0.992 -10.865 609 HB3 SER 78 HB3 SER 78 -20.548 0.983 -12.226 610 HG SER 78 HG SER 78 -22.374 -0.967 -11.401 611 H PHE 79 H PHE 79 -19.876 -2.771 -10.591 612 HA PHE 79 HA PHE 79 -21.634 -2.990 -8.191 613 HB2 PHE 79 HB3 PHE 79 -20.965 -5.038 -10.343 614 HB3 PHE 79 HB2 PHE 79 -21.999 -5.338 -8.956 615 HD1 PHE 79 HD1 PHE 79 -21.835 -4.130 -12.310 616 HD2 PHE 79 HD2 PHE 79 -24.101 -3.894 -8.696 617 HE1 PHE 79 HE1 PHE 79 -23.784 -3.307 -13.588 618 HE2 PHE 79 HE2 PHE 79 -26.052 -3.072 -9.970 619 HZ PHE 79 HZ PHE 79 -25.893 -2.776 -12.418 620 H GLY 80 H GLY 80 -18.554 -2.614 -8.547 621 HA2 GLY 80 HA2 GLY 80 -16.856 -3.092 -7.001 622 HA3 GLY 80 HA3 GLY 80 -17.900 -4.267 -6.224 623 HA PRO 81 HA PRO 81 -14.690 -6.564 -8.521 624 HB2 PRO 81 HB2 PRO 81 -14.099 -8.381 -6.544 625 HB3 PRO 81 HB3 PRO 81 -13.399 -6.758 -6.578 626 HG2 PRO 81 HG2 PRO 81 -15.812 -7.765 -5.011 627 HG3 PRO 81 HG3 PRO 81 -14.452 -6.802 -4.427 628 HD2 PRO 81 HD2 PRO 81 -16.810 -5.633 -5.124 629 HD3 PRO 81 HD3 PRO 81 -15.225 -4.813 -5.432 Start of MODEL 12 1 HA SER 1 HA SER 1 -4.831 -15.916 -6.206 2 HB2 SER 1 HB2 SER 1 -6.450 -16.765 -7.799 3 HB3 SER 1 HB3 SER 1 -7.151 -15.168 -8.014 4 HG SER 1 HG SER 1 -5.121 -14.484 -8.781 5 H VAL 2 H VAL 2 -3.283 -14.460 -6.573 6 HA VAL 2 HA VAL 2 -4.092 -11.588 -6.457 7 HB VAL 2 HB VAL 2 -1.424 -12.873 -5.733 8 HG11 VAL 2 HG11 VAL 2 -0.857 -10.674 -4.822 9 HG12 VAL 2 HG12 VAL 2 -1.158 -10.612 -6.575 10 HG13 VAL 2 HG13 VAL 2 -2.394 -10.024 -5.438 11 HG21 VAL 2 HG21 VAL 2 -2.065 -12.316 -3.407 12 HG22 VAL 2 HG22 VAL 2 -3.640 -11.721 -3.986 13 HG23 VAL 2 HG23 VAL 2 -3.227 -13.445 -4.143 14 H LYS 3 H LYS 3 -4.185 -10.772 -8.442 15 HA LYS 3 HA LYS 3 -2.592 -11.832 -10.622 16 HB2 LYS 3 HB2 LYS 3 -4.865 -10.903 -10.969 17 HB3 LYS 3 HB3 LYS 3 -4.302 -9.316 -10.461 18 HG2 LYS 3 HG2 LYS 3 -2.808 -9.187 -12.390 19 HG3 LYS 3 HG3 LYS 3 -3.273 -10.822 -12.884 20 HD2 LYS 3 HD2 LYS 3 -5.592 -10.101 -13.212 21 HD3 LYS 3 HD3 LYS 3 -5.194 -8.478 -12.624 22 HE2 LYS 3 HE2 LYS 3 -3.618 -8.184 -14.510 23 HE3 LYS 3 HE3 LYS 3 -4.015 -9.800 -15.097 24 HZ1 LYS 3 HZ1 LYS 3 -5.249 -8.117 -16.250 25 HZ2 LYS 3 HZ2 LYS 3 -6.283 -9.075 -15.392 26 HZ3 LYS 3 HZ3 LYS 3 -5.911 -7.563 -14.845 27 H GLU 4 H GLU 4 -2.708 -8.586 -9.100 28 HA GLU 4 HA GLU 4 0.104 -8.206 -10.038 29 HB2 GLU 4 HB2 GLU 4 -2.069 -6.157 -9.441 30 HB3 GLU 4 HB3 GLU 4 -0.401 -5.750 -9.821 31 HG2 GLU 4 HG2 GLU 4 -0.647 -6.830 -12.027 32 HG3 GLU 4 HG3 GLU 4 -2.323 -7.215 -11.643 33 H THR 5 H THR 5 1.638 -7.315 -8.675 34 HA THR 5 HA THR 5 0.887 -7.376 -5.782 35 HB THR 5 HB THR 5 3.196 -8.177 -5.314 36 HG1 THR 5 HG1 THR 5 4.512 -7.749 -6.937 37 HG21 THR 5 HG21 THR 5 2.903 -10.470 -6.167 38 HG22 THR 5 HG22 THR 5 1.361 -9.811 -5.573 39 HG23 THR 5 HG23 THR 5 1.682 -9.890 -7.321 40 H LYS 6 H LYS 6 1.361 -5.249 -8.062 41 HA LYS 6 HA LYS 6 3.710 -3.803 -7.447 42 HB2 LYS 6 HB2 LYS 6 2.357 -3.412 -9.476 43 HB3 LYS 6 HB3 LYS 6 1.046 -2.768 -8.497 44 HG2 LYS 6 HG2 LYS 6 2.459 -0.890 -7.795 45 HG3 LYS 6 HG3 LYS 6 3.815 -1.550 -8.718 46 HD2 LYS 6 HD2 LYS 6 2.519 -1.329 -10.805 47 HD3 LYS 6 HD3 LYS 6 1.141 -0.700 -9.891 48 HE2 LYS 6 HE2 LYS 6 2.482 1.229 -9.161 49 HE3 LYS 6 HE3 LYS 6 3.891 0.593 -10.014 50 HZ1 LYS 6 HZ1 LYS 6 2.763 2.261 -11.293 51 HZ2 LYS 6 HZ2 LYS 6 2.670 0.809 -12.070 52 HZ3 LYS 6 HZ3 LYS 6 1.355 1.404 -11.271 53 H LEU 7 H LEU 7 0.384 -3.328 -6.222 54 HA LEU 7 HA LEU 7 1.103 -1.068 -4.599 55 HB2 LEU 7 HB2 LEU 7 -1.270 -2.960 -4.447 56 HB3 LEU 7 HB3 LEU 7 -1.126 -1.457 -3.534 57 HG LEU 7 HG LEU 7 -1.323 -1.723 -6.552 58 HD11 LEU 7 HD11 LEU 7 -3.472 -0.583 -6.221 59 HD12 LEU 7 HD12 LEU 7 -3.412 -2.139 -5.358 60 HD13 LEU 7 HD13 LEU 7 -3.218 -0.614 -4.461 61 HD21 LEU 7 HD21 LEU 7 -1.367 0.748 -6.530 62 HD22 LEU 7 HD22 LEU 7 -1.081 0.737 -4.773 63 HD23 LEU 7 HD23 LEU 7 0.171 0.128 -5.881 64 H TYR 8 H TYR 8 1.005 -4.544 -4.048 65 HA TYR 8 HA TYR 8 1.335 -4.396 -1.187 66 HB2 TYR 8 HB2 TYR 8 1.957 -6.606 -3.186 67 HB3 TYR 8 HB3 TYR 8 2.086 -6.797 -1.444 68 HD1 TYR 8 HD1 TYR 8 -0.112 -6.794 -4.298 69 HD2 TYR 8 HD2 TYR 8 0.017 -6.517 -0.017 70 HE1 TYR 8 HE1 TYR 8 -2.508 -7.390 -4.185 71 HE2 TYR 8 HE2 TYR 8 -2.378 -7.113 0.094 72 HH TYR 8 HH TYR 8 -4.244 -7.791 -2.857 73 H ASP 9 H ASP 9 3.561 -4.470 -3.929 74 HA ASP 9 HA ASP 9 5.943 -4.756 -2.329 75 HB2 ASP 9 HB2 ASP 9 5.455 -3.728 -5.147 76 HB3 ASP 9 HB3 ASP 9 7.060 -3.814 -4.434 77 H LEU 10 H LEU 10 4.063 -1.997 -3.506 78 HA LEU 10 HA LEU 10 5.869 0.053 -2.707 79 HB2 LEU 10 HB2 LEU 10 2.846 -0.018 -2.942 80 HB3 LEU 10 HB3 LEU 10 3.745 1.451 -2.549 81 HG LEU 10 HG LEU 10 4.091 -0.155 -5.106 82 HD11 LEU 10 HD11 LEU 10 2.856 1.686 -6.161 83 HD12 LEU 10 HD12 LEU 10 1.864 0.834 -4.955 84 HD13 LEU 10 HD13 LEU 10 2.578 2.416 -4.562 85 HD21 LEU 10 HD21 LEU 10 5.339 1.850 -5.835 86 HD22 LEU 10 HD22 LEU 10 5.098 2.585 -4.231 87 HD23 LEU 10 HD23 LEU 10 6.090 1.116 -4.398 88 H LEU 11 H LEU 11 3.293 -1.655 -0.945 89 HA LEU 11 HA LEU 11 3.738 -0.111 1.487 90 HB2 LEU 11 HB2 LEU 11 2.188 -2.670 0.956 91 HB3 LEU 11 HB3 LEU 11 2.203 -1.815 2.500 92 HG LEU 11 HG LEU 11 1.107 -0.750 -0.126 93 HD11 LEU 11 HD11 LEU 11 -1.054 -0.926 1.025 94 HD12 LEU 11 HD12 LEU 11 -0.257 -2.509 0.876 95 HD13 LEU 11 HD13 LEU 11 -0.244 -1.650 2.435 96 HD21 LEU 11 HD21 LEU 11 0.339 1.150 1.257 97 HD22 LEU 11 HD22 LEU 11 1.168 0.456 2.671 98 HD23 LEU 11 HD23 LEU 11 2.115 1.021 1.274 99 H GLY 12 H GLY 12 4.931 -3.087 0.086 100 HA2 GLY 12 HA2 GLY 12 6.867 -4.257 0.718 101 HA3 GLY 12 HA3 GLY 12 7.015 -3.239 2.137 102 H VAL 13 H VAL 13 4.254 -5.229 1.046 103 HA VAL 13 HA VAL 13 4.608 -7.008 3.387 104 HB VAL 13 HB VAL 13 3.227 -5.149 4.234 105 HG11 VAL 13 HG11 VAL 13 1.033 -4.664 3.267 106 HG12 VAL 13 HG12 VAL 13 2.354 -4.333 2.120 107 HG13 VAL 13 HG13 VAL 13 1.366 -5.804 1.942 108 HG21 VAL 13 HG21 VAL 13 1.264 -6.477 4.946 109 HG22 VAL 13 HG22 VAL 13 1.613 -7.672 3.673 110 HG23 VAL 13 HG23 VAL 13 2.756 -7.444 5.018 111 H SER 14 H SER 14 3.821 -9.031 3.104 112 HA SER 14 HA SER 14 3.367 -9.875 0.404 113 HB2 SER 14 HB2 SER 14 4.417 -11.349 2.015 114 HB3 SER 14 HB3 SER 14 3.003 -11.299 3.057 115 HG SER 14 HG SER 14 3.484 -12.706 0.779 116 HA PRO 15 HA PRO 15 -0.950 -9.307 0.106 117 HB2 PRO 15 HB2 PRO 15 -1.471 -10.914 -2.060 118 HB3 PRO 15 HB3 PRO 15 -0.616 -9.373 -2.211 119 HG2 PRO 15 HG2 PRO 15 0.539 -12.187 -2.010 120 HG3 PRO 15 HG3 PRO 15 0.951 -10.918 -3.165 121 HD2 PRO 15 HD2 PRO 15 2.466 -11.346 -0.945 122 HD3 PRO 15 HD3 PRO 15 2.200 -9.678 -1.592 123 H SER 16 H SER 16 0.618 -12.281 0.811 124 HA SER 16 HA SER 16 -1.745 -13.913 1.182 125 HB2 SER 16 HB2 SER 16 -0.268 -15.464 2.276 126 HB3 SER 16 HB3 SER 16 0.561 -14.817 0.870 127 HG SER 16 HG SER 16 1.708 -13.477 2.158 128 H ALA 17 H ALA 17 -0.312 -11.339 2.933 129 HA ALA 17 HA ALA 17 -1.398 -12.155 5.524 130 HB1 ALA 17 HB1 ALA 17 -0.601 -9.939 6.279 131 HB2 ALA 17 HB2 ALA 17 0.671 -10.838 5.420 132 HB3 ALA 17 HB3 ALA 17 -0.196 -9.521 4.599 133 H ASN 18 H ASN 18 -2.914 -10.847 6.741 134 HA ASN 18 HA ASN 18 -5.249 -10.312 5.051 135 HB2 ASN 18 HB2 ASN 18 -6.489 -10.195 7.113 136 HB3 ASN 18 HB3 ASN 18 -5.419 -11.588 7.179 137 HD21 ASN 18 HD21 ASN 18 -4.750 -10.378 10.413 138 HD22 ASN 18 HD22 ASN 18 -5.686 -11.493 9.473 139 H GLU 19 H GLU 19 -6.688 -8.404 6.109 140 HA GLU 19 HA GLU 19 -5.415 -6.135 4.872 141 HB2 GLU 19 HB2 GLU 19 -8.040 -6.442 6.377 142 HB3 GLU 19 HB3 GLU 19 -7.536 -4.940 5.616 143 HG2 GLU 19 HG2 GLU 19 -7.506 -6.017 3.430 144 HG3 GLU 19 HG3 GLU 19 -7.912 -7.568 4.163 145 H GLN 20 H GLN 20 -5.928 -7.155 8.196 146 HA GLN 20 HA GLN 20 -5.275 -4.680 9.462 147 HB2 GLN 20 HB2 GLN 20 -4.945 -7.563 10.372 148 HB3 GLN 20 HB3 GLN 20 -4.616 -6.180 11.407 149 HG2 GLN 20 HG2 GLN 20 -6.924 -5.453 11.253 150 HG3 GLN 20 HG3 GLN 20 -7.282 -6.773 10.104 151 HE21 GLN 20 HE21 GLN 20 -8.304 -7.650 13.635 152 HE22 GLN 20 HE22 GLN 20 -8.587 -6.266 12.632 153 H GLU 21 H GLU 21 -3.264 -7.377 8.317 154 HA GLU 21 HA GLU 21 -0.785 -6.223 9.246 155 HB2 GLU 21 HB2 GLU 21 -1.395 -8.317 7.124 156 HB3 GLU 21 HB3 GLU 21 0.235 -7.864 7.601 157 HG2 GLU 21 HG2 GLU 21 -1.864 -9.015 9.454 158 HG3 GLU 21 HG3 GLU 21 -0.570 -9.928 8.681 159 H LEU 22 H LEU 22 -2.661 -6.019 6.256 160 HA LEU 22 HA LEU 22 -0.695 -4.661 4.696 161 HB2 LEU 22 HB2 LEU 22 -3.729 -4.571 4.598 162 HB3 LEU 22 HB3 LEU 22 -2.674 -3.861 3.372 163 HG LEU 22 HG LEU 22 -2.845 -6.816 4.062 164 HD11 LEU 22 HD11 LEU 22 -3.908 -7.004 1.858 165 HD12 LEU 22 HD12 LEU 22 -4.852 -5.971 2.958 166 HD13 LEU 22 HD13 LEU 22 -3.855 -5.234 1.681 167 HD21 LEU 22 HD21 LEU 22 -1.408 -7.085 2.069 168 HD22 LEU 22 HD22 LEU 22 -1.319 -5.314 1.894 169 HD23 LEU 22 HD23 LEU 22 -0.596 -6.106 3.315 170 H LYS 23 H LYS 23 -3.180 -3.503 6.953 171 HA LYS 23 HA LYS 23 -2.767 -0.715 6.532 172 HB2 LYS 23 HB2 LYS 23 -4.689 -1.618 7.792 173 HB3 LYS 23 HB3 LYS 23 -3.610 -2.199 9.053 174 HG2 LYS 23 HG2 LYS 23 -2.983 0.098 9.620 175 HG3 LYS 23 HG3 LYS 23 -3.994 0.715 8.306 176 HD2 LYS 23 HD2 LYS 23 -5.996 -0.252 9.379 177 HD3 LYS 23 HD3 LYS 23 -4.990 -0.899 10.684 178 HE2 LYS 23 HE2 LYS 23 -4.310 1.400 11.296 179 HE3 LYS 23 HE3 LYS 23 -5.312 2.046 9.994 180 HZ1 LYS 23 HZ1 LYS 23 -6.433 2.135 12.099 181 HZ2 LYS 23 HZ2 LYS 23 -7.231 1.106 11.086 182 HZ3 LYS 23 HZ3 LYS 23 -6.295 0.505 12.302 183 H LYS 24 H LYS 24 -1.278 -2.969 8.872 184 HA LYS 24 HA LYS 24 0.447 -1.024 10.058 185 HB2 LYS 24 HB2 LYS 24 0.635 -4.048 9.828 186 HB3 LYS 24 HB3 LYS 24 1.806 -3.088 10.719 187 HG2 LYS 24 HG2 LYS 24 -0.114 -2.201 12.110 188 HG3 LYS 24 HG3 LYS 24 -1.144 -3.396 11.311 189 HD2 LYS 24 HD2 LYS 24 1.423 -4.121 12.763 190 HD3 LYS 24 HD3 LYS 24 -0.165 -4.106 13.545 191 HE2 LYS 24 HE2 LYS 24 -0.983 -5.734 11.833 192 HE3 LYS 24 HE3 LYS 24 0.645 -5.798 11.151 193 HZ1 LYS 24 HZ1 LYS 24 0.254 -7.596 12.668 194 HZ2 LYS 24 HZ2 LYS 24 1.436 -6.612 13.265 195 HZ3 LYS 24 HZ3 LYS 24 -0.084 -6.554 13.901 196 H GLY 25 H GLY 25 0.787 -3.101 7.215 197 HA2 GLY 25 HA2 GLY 25 3.495 -2.589 6.580 198 HA3 GLY 25 HA3 GLY 25 2.230 -2.917 5.411 199 H TYR 26 H TYR 26 0.537 -0.759 5.710 200 HA TYR 26 HA TYR 26 1.859 1.352 4.327 201 HB2 TYR 26 HB2 TYR 26 -0.542 1.064 4.127 202 HB3 TYR 26 HB3 TYR 26 -0.769 1.278 5.857 203 HD1 TYR 26 HD1 TYR 26 0.807 3.125 2.992 204 HD2 TYR 26 HD2 TYR 26 -1.571 3.310 6.559 205 HE1 TYR 26 HE1 TYR 26 0.480 5.551 2.649 206 HE2 TYR 26 HE2 TYR 26 -1.898 5.735 6.215 207 HH TYR 26 HH TYR 26 -0.708 7.359 3.314 208 H ARG 27 H ARG 27 0.947 1.009 7.757 209 HA ARG 27 HA ARG 27 1.697 3.587 8.609 210 HB2 ARG 27 HB2 ARG 27 1.777 0.924 10.056 211 HB3 ARG 27 HB3 ARG 27 2.095 2.458 10.851 212 HG2 ARG 27 HG2 ARG 27 -0.156 3.235 10.349 213 HG3 ARG 27 HG3 ARG 27 -0.487 1.738 9.443 214 HD2 ARG 27 HD2 ARG 27 -1.442 1.554 11.609 215 HD3 ARG 27 HD3 ARG 27 -0.038 0.465 11.515 216 HE ARG 27 HE ARG 27 0.653 3.048 12.580 217 HH11 ARG 27 HH11 ARG 27 -0.766 -0.063 13.382 218 HH12 ARG 27 HH12 ARG 27 -0.353 0.043 15.078 219 HH21 ARG 27 HH21 ARG 27 1.183 3.176 14.785 220 HH22 ARG 27 HH22 ARG 27 0.751 1.877 15.873 221 H LYS 28 H LYS 28 3.654 0.626 8.294 222 HA LYS 28 HA LYS 28 6.073 1.801 9.303 223 HB2 LYS 28 HB2 LYS 28 5.558 -0.593 7.503 224 HB3 LYS 28 HB3 LYS 28 7.163 -0.142 8.059 225 HG2 LYS 28 HG2 LYS 28 6.465 -0.454 10.393 226 HG3 LYS 28 HG3 LYS 28 4.829 -0.865 9.856 227 HD2 LYS 28 HD2 LYS 28 5.741 -2.795 8.588 228 HD3 LYS 28 HD3 LYS 28 7.368 -2.388 9.153 229 HE2 LYS 28 HE2 LYS 28 6.650 -2.725 11.491 230 HE3 LYS 28 HE3 LYS 28 5.016 -3.106 10.944 231 HZ1 LYS 28 HZ1 LYS 28 6.284 -5.080 11.368 232 HZ2 LYS 28 HZ2 LYS 28 5.910 -4.992 9.763 233 HZ3 LYS 28 HZ3 LYS 28 7.439 -4.639 10.275 234 H ALA 29 H ALA 29 4.807 1.337 6.000 235 HA ALA 29 HA ALA 29 7.068 2.518 4.702 236 HB1 ALA 29 HB1 ALA 29 5.572 2.688 2.740 237 HB2 ALA 29 HB2 ALA 29 5.468 1.087 3.510 238 HB3 ALA 29 HB3 ALA 29 4.182 2.288 3.775 239 H ALA 30 H ALA 30 4.090 3.849 6.047 240 HA ALA 30 HA ALA 30 4.342 6.458 4.921 241 HB1 ALA 30 HB1 ALA 30 2.805 7.153 6.732 242 HB2 ALA 30 HB2 ALA 30 2.259 5.654 5.940 243 HB3 ALA 30 HB3 ALA 30 3.051 5.583 7.532 244 H LEU 31 H LEU 31 5.557 5.048 7.953 245 HA LEU 31 HA LEU 31 6.862 7.427 8.873 246 HB2 LEU 31 HB2 LEU 31 7.402 4.482 9.364 247 HB3 LEU 31 HB3 LEU 31 8.287 5.778 10.175 248 HG LEU 31 HG LEU 31 5.282 5.364 10.371 249 HD11 LEU 31 HD11 LEU 31 5.767 4.495 12.614 250 HD12 LEU 31 HD12 LEU 31 6.505 3.489 11.345 251 HD13 LEU 31 HD13 LEU 31 7.511 4.618 12.284 252 HD21 LEU 31 HD21 LEU 31 5.497 6.963 12.242 253 HD22 LEU 31 HD22 LEU 31 7.238 7.122 11.908 254 HD23 LEU 31 HD23 LEU 31 6.048 7.690 10.713 255 H LYS 32 H LYS 32 7.895 4.744 6.784 256 HA LYS 32 HA LYS 32 10.628 5.442 6.567 257 HB2 LYS 32 HB2 LYS 32 9.673 3.315 5.730 258 HB3 LYS 32 HB3 LYS 32 8.811 4.187 4.470 259 HG2 LYS 32 HG2 LYS 32 10.930 4.873 3.454 260 HG3 LYS 32 HG3 LYS 32 11.828 4.068 4.748 261 HD2 LYS 32 HD2 LYS 32 10.839 1.899 4.086 262 HD3 LYS 32 HD3 LYS 32 9.936 2.704 2.794 263 HE2 LYS 32 HE2 LYS 32 12.058 3.412 1.746 264 HE3 LYS 32 HE3 LYS 32 12.967 2.624 3.038 265 HZ1 LYS 32 HZ1 LYS 32 12.817 1.244 1.098 266 HZ2 LYS 32 HZ2 LYS 32 12.016 0.531 2.352 267 HZ3 LYS 32 HZ3 LYS 32 11.168 1.266 1.143 268 H TYR 33 H TYR 33 7.814 6.557 4.693 269 HA TYR 33 HA TYR 33 9.618 8.496 3.319 270 HB2 TYR 33 HB2 TYR 33 6.851 7.508 2.512 271 HB3 TYR 33 HB3 TYR 33 7.825 8.662 1.611 272 HD1 TYR 33 HD1 TYR 33 6.894 5.310 1.847 273 HD2 TYR 33 HD2 TYR 33 10.307 7.793 1.076 274 HE1 TYR 33 HE1 TYR 33 7.974 3.449 0.629 275 HE2 TYR 33 HE2 TYR 33 11.386 5.932 -0.141 276 HH TYR 33 HH TYR 33 11.136 3.873 -0.951 277 H HIS 34 H HIS 34 8.445 8.733 6.047 278 HA HIS 34 HA HIS 34 6.224 10.560 5.966 279 HB2 HIS 34 HB2 HIS 34 7.090 9.151 7.953 280 HB3 HIS 34 HB3 HIS 34 8.285 10.420 8.180 281 HD2 HIS 34 HD2 HIS 34 4.683 9.654 9.154 282 HE1 HIS 34 HE1 HIS 34 5.288 13.809 9.889 283 HE2 HIS 34 HE2 HIS 34 3.744 11.815 10.263 284 HA PRO 35 HA PRO 35 8.026 14.114 4.362 285 HB2 PRO 35 HB2 PRO 35 6.071 15.461 6.281 286 HB3 PRO 35 HB3 PRO 35 6.392 15.840 4.585 287 HG2 PRO 35 HG2 PRO 35 4.223 14.415 5.156 288 HG3 PRO 35 HG3 PRO 35 5.224 13.923 3.786 289 HD2 PRO 35 HD2 PRO 35 5.087 12.750 6.583 290 HD3 PRO 35 HD3 PRO 35 5.271 11.903 4.994 291 H ASP 36 H ASP 36 7.604 13.699 7.852 292 HA ASP 36 HA ASP 36 9.397 15.982 8.426 293 HB2 ASP 36 HB2 ASP 36 7.703 14.207 10.229 294 HB3 ASP 36 HB3 ASP 36 8.755 15.485 10.823 295 H LYS 37 H LYS 37 10.013 13.031 7.455 296 HA LYS 37 HA LYS 37 12.218 12.613 9.429 297 HB2 LYS 37 HB2 LYS 37 10.951 10.643 7.484 298 HB3 LYS 37 HB3 LYS 37 12.324 10.289 8.524 299 HG2 LYS 37 HG2 LYS 37 9.576 11.092 9.524 300 HG3 LYS 37 HG3 LYS 37 10.164 9.430 9.392 301 HD2 LYS 37 HD2 LYS 37 12.050 10.015 10.928 302 HD3 LYS 37 HD3 LYS 37 11.359 11.634 11.113 303 HE2 LYS 37 HE2 LYS 37 9.262 10.609 11.985 304 HE3 LYS 37 HE3 LYS 37 10.005 9.013 11.857 305 HZ1 LYS 37 HZ1 LYS 37 10.175 9.890 14.068 306 HZ2 LYS 37 HZ2 LYS 37 11.682 9.733 13.414 307 HZ3 LYS 37 HZ3 LYS 37 10.987 11.224 13.536 308 HA PRO 38 HA PRO 38 15.322 13.689 6.658 309 HB2 PRO 38 HB2 PRO 38 16.558 10.968 7.229 310 HB3 PRO 38 HB3 PRO 38 17.317 12.564 7.280 311 HG2 PRO 38 HG2 PRO 38 16.628 11.428 9.585 312 HG3 PRO 38 HG3 PRO 38 16.287 13.146 9.348 313 HD2 PRO 38 HD2 PRO 38 14.403 10.766 9.118 314 HD3 PRO 38 HD3 PRO 38 14.110 12.385 9.871 315 H THR 39 H THR 39 13.912 10.456 6.385 316 HA THR 39 HA THR 39 14.785 10.269 3.548 317 HB THR 39 HB THR 39 14.015 7.902 3.694 318 HG1 THR 39 HG1 THR 39 12.502 7.761 5.224 319 HG21 THR 39 HG21 THR 39 15.760 7.118 5.247 320 HG22 THR 39 HG22 THR 39 16.350 8.476 4.261 321 HG23 THR 39 HG23 THR 39 15.872 8.747 5.952 322 H GLY 40 H GLY 40 12.555 11.982 4.733 323 HA2 GLY 40 HA2 GLY 40 10.024 10.937 3.967 324 HA3 GLY 40 HA3 GLY 40 10.419 12.639 4.116 325 H ASP 41 H ASP 41 8.842 11.026 2.095 326 HA ASP 41 HA ASP 41 9.914 12.386 -0.274 327 HB2 ASP 41 HB2 ASP 41 11.122 10.197 -0.267 328 HB3 ASP 41 HB3 ASP 41 9.577 9.358 -0.259 329 H THR 42 H THR 42 8.156 13.500 -0.796 330 HA THR 42 HA THR 42 5.527 12.740 -0.031 331 HB THR 42 HB THR 42 6.426 14.720 -2.167 332 HG1 THR 42 HG1 THR 42 5.804 16.155 -0.311 333 HG21 THR 42 HG21 THR 42 4.191 15.713 -1.876 334 HG22 THR 42 HG22 THR 42 4.071 14.037 -2.466 335 HG23 THR 42 HG23 THR 42 3.750 14.403 -0.756 336 H GLU 43 H GLU 43 7.246 12.429 -3.130 337 HA GLU 43 HA GLU 43 5.054 11.538 -4.682 338 HB2 GLU 43 HB2 GLU 43 7.231 12.206 -5.643 339 HB3 GLU 43 HB3 GLU 43 7.999 10.799 -4.920 340 HG2 GLU 43 HG2 GLU 43 6.642 9.313 -6.303 341 HG3 GLU 43 HG3 GLU 43 5.797 10.697 -6.993 342 H LYS 44 H LYS 44 7.492 9.625 -2.892 343 HA LYS 44 HA LYS 44 6.241 7.106 -3.534 344 HB2 LYS 44 HB2 LYS 44 8.220 7.842 -1.342 345 HB3 LYS 44 HB3 LYS 44 7.756 6.199 -1.760 346 HG2 LYS 44 HG2 LYS 44 9.191 8.166 -3.567 347 HG3 LYS 44 HG3 LYS 44 9.899 6.765 -2.751 348 HD2 LYS 44 HD2 LYS 44 7.595 6.536 -4.715 349 HD3 LYS 44 HD3 LYS 44 9.293 6.445 -5.206 350 HE2 LYS 44 HE2 LYS 44 9.614 4.550 -3.607 351 HE3 LYS 44 HE3 LYS 44 7.889 4.609 -3.230 352 HZ1 LYS 44 HZ1 LYS 44 8.375 2.957 -4.880 353 HZ2 LYS 44 HZ2 LYS 44 7.429 4.138 -5.537 354 HZ3 LYS 44 HZ3 LYS 44 9.038 4.079 -5.889 355 H PHE 45 H PHE 45 5.917 9.424 -0.907 356 HA PHE 45 HA PHE 45 4.408 7.781 0.868 357 HB2 PHE 45 HB3 PHE 45 5.428 10.056 1.371 358 HB3 PHE 45 HB2 PHE 45 4.102 10.780 0.476 359 HD1 PHE 45 HD1 PHE 45 1.895 10.911 1.396 360 HD2 PHE 45 HD2 PHE 45 5.008 8.874 3.494 361 HE1 PHE 45 HE1 PHE 45 0.497 10.879 3.434 362 HE2 PHE 45 HE2 PHE 45 3.613 8.838 5.534 363 HZ PHE 45 HZ PHE 45 1.357 9.844 5.504 364 H LYS 46 H LYS 46 3.447 9.853 -1.858 365 HA LYS 46 HA LYS 46 0.623 9.451 -1.529 366 HB2 LYS 46 HB2 LYS 46 2.333 10.247 -3.910 367 HB3 LYS 46 HB3 LYS 46 0.583 10.115 -4.009 368 HG2 LYS 46 HG2 LYS 46 0.346 11.833 -2.255 369 HG3 LYS 46 HG3 LYS 46 2.108 11.964 -2.153 370 HD2 LYS 46 HD2 LYS 46 2.227 12.699 -4.485 371 HD3 LYS 46 HD3 LYS 46 0.482 12.471 -4.672 372 HE2 LYS 46 HE2 LYS 46 0.059 14.202 -2.966 373 HE3 LYS 46 HE3 LYS 46 1.797 14.417 -2.741 374 HZ1 LYS 46 HZ1 LYS 46 0.885 16.069 -4.199 375 HZ2 LYS 46 HZ2 LYS 46 1.949 15.119 -5.030 376 HZ3 LYS 46 HZ3 LYS 46 0.326 14.919 -5.241 377 H GLU 47 H GLU 47 3.142 7.693 -3.292 378 HA GLU 47 HA GLU 47 1.411 5.990 -4.777 379 HB2 GLU 47 HB2 GLU 47 4.258 5.632 -3.775 380 HB3 GLU 47 HB3 GLU 47 3.452 4.436 -4.781 381 HG2 GLU 47 HG2 GLU 47 3.152 6.127 -6.549 382 HG3 GLU 47 HG3 GLU 47 3.970 7.319 -5.542 383 H ILE 48 H ILE 48 2.924 5.588 -1.572 384 HA ILE 48 HA ILE 48 1.782 2.948 -1.188 385 HB ILE 48 HB ILE 48 2.628 3.161 1.129 386 HG12 ILE 48 HG12 ILE 48 3.427 5.985 0.396 387 HG13 ILE 48 HG13 ILE 48 2.013 5.582 1.358 388 HG21 ILE 48 HG21 ILE 48 5.012 3.467 0.591 389 HG22 ILE 48 HG22 ILE 48 4.190 2.508 -0.664 390 HG23 ILE 48 HG23 ILE 48 4.569 4.221 -0.959 391 HD11 ILE 48 HD11 ILE 48 3.884 6.219 2.772 392 HD12 ILE 48 HD12 ILE 48 3.448 4.515 3.043 393 HD13 ILE 48 HD13 ILE 48 4.881 4.926 2.069 394 H SER 49 H SER 49 0.759 6.227 -0.579 395 HA SER 49 HA SER 49 -1.353 5.573 1.277 396 HB2 SER 49 HB2 SER 49 -0.930 7.926 -0.592 397 HB3 SER 49 HB3 SER 49 -2.249 7.824 0.564 398 HG SER 49 HG SER 49 0.502 7.989 0.995 399 H GLU 50 H GLU 50 -1.210 5.987 -2.265 400 HA GLU 50 HA GLU 50 -3.932 5.319 -2.780 401 HB2 GLU 50 HB2 GLU 50 -2.419 6.267 -4.492 402 HB3 GLU 50 HB3 GLU 50 -1.448 4.802 -4.465 403 HG2 GLU 50 HG2 GLU 50 -3.359 3.506 -5.301 404 HG3 GLU 50 HG3 GLU 50 -4.351 4.962 -5.305 405 H ALA 51 H ALA 51 -1.004 3.271 -2.618 406 HA ALA 51 HA ALA 51 -2.238 0.797 -3.125 407 HB1 ALA 51 HB1 ALA 51 -0.350 -0.200 -1.876 408 HB2 ALA 51 HB2 ALA 51 0.196 1.082 -2.984 409 HB3 ALA 51 HB3 ALA 51 0.068 1.408 -1.240 410 H PHE 52 H PHE 52 -1.828 2.504 -0.021 411 HA PHE 52 HA PHE 52 -3.061 0.535 1.611 412 HB2 PHE 52 HB3 PHE 52 -1.822 2.363 2.610 413 HB3 PHE 52 HB2 PHE 52 -2.893 3.557 1.894 414 HD1 PHE 52 HD1 PHE 52 -3.044 0.576 4.153 415 HD2 PHE 52 HD2 PHE 52 -4.568 4.452 3.194 416 HE1 PHE 52 HE1 PHE 52 -4.461 0.518 6.177 417 HE2 PHE 52 HE2 PHE 52 -5.984 4.398 5.218 418 HZ PHE 52 HZ PHE 52 -5.932 2.429 6.710 419 H GLU 53 H GLU 53 -4.482 3.473 0.128 420 HA GLU 53 HA GLU 53 -7.088 3.155 1.098 421 HB2 GLU 53 HB2 GLU 53 -6.461 5.189 -0.034 422 HB3 GLU 53 HB3 GLU 53 -6.073 4.326 -1.516 423 HG2 GLU 53 HG2 GLU 53 -8.147 5.463 -1.818 424 HG3 GLU 53 HG3 GLU 53 -8.469 3.732 -1.765 425 H ILE 54 H ILE 54 -5.681 1.854 -1.917 426 HA ILE 54 HA ILE 54 -8.120 0.615 -2.788 427 HB ILE 54 HB ILE 54 -5.207 0.152 -3.530 428 HG12 ILE 54 HG12 ILE 54 -7.453 1.404 -5.118 429 HG13 ILE 54 HG13 ILE 54 -6.337 2.325 -4.120 430 HG21 ILE 54 HG21 ILE 54 -6.053 -1.185 -5.416 431 HG22 ILE 54 HG22 ILE 54 -6.472 -1.939 -3.860 432 HG23 ILE 54 HG23 ILE 54 -7.709 -1.045 -4.778 433 HD11 ILE 54 HD11 ILE 54 -5.652 2.348 -6.453 434 HD12 ILE 54 HD12 ILE 54 -4.445 1.504 -5.455 435 HD13 ILE 54 HD13 ILE 54 -5.574 0.573 -6.468 436 H LEU 55 H LEU 55 -5.317 -0.548 -0.936 437 HA LEU 55 HA LEU 55 -6.388 -3.289 -0.945 438 HB2 LEU 55 HB2 LEU 55 -3.908 -2.097 0.343 439 HB3 LEU 55 HB3 LEU 55 -4.318 -3.814 0.332 440 HG LEU 55 HG LEU 55 -3.699 -2.125 -2.117 441 HD11 LEU 55 HD11 LEU 55 -1.647 -3.470 -2.201 442 HD12 LEU 55 HD12 LEU 55 -1.750 -2.519 -0.700 443 HD13 LEU 55 HD13 LEU 55 -2.104 -4.263 -0.676 444 HD21 LEU 55 HD21 LEU 55 -3.749 -4.299 -3.294 445 HD22 LEU 55 HD22 LEU 55 -4.237 -5.106 -1.784 446 HD23 LEU 55 HD23 LEU 55 -5.329 -3.932 -2.558 447 H ASN 56 H ASN 56 -6.805 -0.503 0.897 448 HA ASN 56 HA ASN 56 -7.332 -1.897 3.423 449 HB2 ASN 56 HB2 ASN 56 -6.551 0.460 3.364 450 HB3 ASN 56 HB3 ASN 56 -8.038 0.924 2.547 451 HD21 ASN 56 HD21 ASN 56 -9.679 1.467 5.526 452 HD22 ASN 56 HD22 ASN 56 -9.400 1.880 3.867 453 H ASP 57 H ASP 57 -9.388 -0.093 1.103 454 HA ASP 57 HA ASP 57 -11.844 -1.159 2.098 455 HB2 ASP 57 HB2 ASP 57 -11.662 0.864 0.643 456 HB3 ASP 57 HB3 ASP 57 -11.199 -0.163 -0.707 457 HA PRO 58 HA PRO 58 -11.237 -5.352 0.930 458 HB2 PRO 58 HB2 PRO 58 -14.268 -5.244 1.274 459 HB3 PRO 58 HB3 PRO 58 -13.136 -6.482 1.832 460 HG2 PRO 58 HG2 PRO 58 -14.003 -4.698 3.599 461 HG3 PRO 58 HG3 PRO 58 -12.286 -5.116 3.590 462 HD2 PRO 58 HD2 PRO 58 -13.672 -2.667 2.445 463 HD3 PRO 58 HD3 PRO 58 -12.086 -2.785 3.309 464 H GLN 59 H GLN 59 -13.790 -3.258 -0.409 465 HA GLN 59 HA GLN 59 -14.377 -4.920 -2.684 466 HB2 GLN 59 HB2 GLN 59 -15.932 -3.185 -1.807 467 HB3 GLN 59 HB3 GLN 59 -14.806 -1.929 -2.301 468 HG2 GLN 59 HG2 GLN 59 -16.573 -2.096 -3.911 469 HG3 GLN 59 HG3 GLN 59 -15.056 -2.672 -4.657 470 HE21 GLN 59 HE21 GLN 59 -16.618 -5.556 -5.759 471 HE22 GLN 59 HE22 GLN 59 -15.567 -4.214 -6.069 472 H LYS 60 H LYS 60 -12.336 -2.021 -2.254 473 HA LYS 60 HA LYS 60 -11.474 -1.960 -4.999 474 HB2 LYS 60 HB2 LYS 60 -10.298 -0.748 -2.469 475 HB3 LYS 60 HB3 LYS 60 -9.651 -0.452 -4.078 476 HG2 LYS 60 HG2 LYS 60 -11.801 0.540 -4.769 477 HG3 LYS 60 HG3 LYS 60 -12.457 0.238 -3.153 478 HD2 LYS 60 HD2 LYS 60 -10.652 1.667 -2.186 479 HD3 LYS 60 HD3 LYS 60 -10.079 2.012 -3.823 480 HE2 LYS 60 HE2 LYS 60 -12.298 2.984 -4.379 481 HE3 LYS 60 HE3 LYS 60 -12.835 2.676 -2.726 482 HZ1 LYS 60 HZ1 LYS 60 -12.091 4.925 -3.008 483 HZ2 LYS 60 HZ2 LYS 60 -11.096 4.139 -1.952 484 HZ3 LYS 60 HZ3 LYS 60 -10.596 4.426 -3.497 485 H ARG 61 H ARG 61 -10.188 -3.447 -2.055 486 HA ARG 61 HA ARG 61 -7.680 -4.267 -3.098 487 HB2 ARG 61 HB2 ARG 61 -8.252 -4.389 -0.710 488 HB3 ARG 61 HB3 ARG 61 -9.450 -5.630 -1.040 489 HG2 ARG 61 HG2 ARG 61 -7.618 -7.115 -1.862 490 HG3 ARG 61 HG3 ARG 61 -6.450 -5.870 -1.354 491 HD2 ARG 61 HD2 ARG 61 -6.772 -7.673 0.288 492 HD3 ARG 61 HD3 ARG 61 -7.165 -6.056 0.916 493 HE ARG 61 HE ARG 61 -9.281 -6.789 1.309 494 HH11 ARG 61 HH11 ARG 61 -7.880 -8.808 -1.200 495 HH12 ARG 61 HH12 ARG 61 -9.266 -9.873 -1.291 496 HH21 ARG 61 HH21 ARG 61 -11.071 -8.178 1.183 497 HH22 ARG 61 HH22 ARG 61 -11.072 -9.517 0.058 498 H GLU 62 H GLU 62 -10.839 -5.933 -3.061 499 HA GLU 62 HA GLU 62 -9.925 -8.306 -4.361 500 HB2 GLU 62 HB2 GLU 62 -12.657 -7.003 -4.122 501 HB3 GLU 62 HB3 GLU 62 -12.419 -8.515 -4.986 502 HG2 GLU 62 HG2 GLU 62 -11.678 -8.076 -2.086 503 HG3 GLU 62 HG3 GLU 62 -13.205 -8.765 -2.637 504 H ILE 63 H ILE 63 -11.274 -5.262 -5.611 505 HA ILE 63 HA ILE 63 -11.393 -6.013 -8.346 506 HB ILE 63 HB ILE 63 -10.961 -3.317 -7.004 507 HG12 ILE 63 HG12 ILE 63 -13.381 -4.401 -8.454 508 HG13 ILE 63 HG13 ILE 63 -13.139 -4.574 -6.722 509 HG21 ILE 63 HG21 ILE 63 -11.450 -2.307 -9.196 510 HG22 ILE 63 HG22 ILE 63 -9.953 -3.269 -9.253 511 HG23 ILE 63 HG23 ILE 63 -11.458 -3.923 -9.942 512 HD11 ILE 63 HD11 ILE 63 -14.577 -2.678 -7.222 513 HD12 ILE 63 HD12 ILE 63 -13.056 -2.129 -6.478 514 HD13 ILE 63 HD13 ILE 63 -13.304 -1.955 -8.231 515 H TYR 64 H TYR 64 -8.754 -4.552 -6.443 516 HA TYR 64 HA TYR 64 -6.878 -4.406 -8.591 517 HB2 TYR 64 HB2 TYR 64 -6.529 -3.193 -6.493 518 HB3 TYR 64 HB3 TYR 64 -6.447 -4.700 -5.592 519 HD1 TYR 64 HD1 TYR 64 -4.767 -2.867 -8.385 520 HD2 TYR 64 HD2 TYR 64 -4.401 -5.718 -5.199 521 HE1 TYR 64 HE1 TYR 64 -2.322 -2.946 -8.735 522 HE2 TYR 64 HE2 TYR 64 -1.956 -5.797 -5.550 523 HH TYR 64 HH TYR 64 -0.420 -4.019 -8.198 524 H ASP 65 H ASP 65 -7.413 -6.923 -6.111 525 HA ASP 65 HA ASP 65 -5.257 -8.583 -6.945 526 HB2 ASP 65 HB2 ASP 65 -7.845 -9.212 -5.477 527 HB3 ASP 65 HB3 ASP 65 -6.586 -10.409 -5.754 528 H GLN 66 H GLN 66 -8.601 -8.324 -8.045 529 HA GLN 66 HA GLN 66 -8.398 -10.833 -9.564 530 HB2 GLN 66 HB2 GLN 66 -10.627 -8.788 -9.247 531 HB3 GLN 66 HB3 GLN 66 -10.759 -10.213 -10.266 532 HG2 GLN 66 HG2 GLN 66 -10.456 -11.665 -8.331 533 HG3 GLN 66 HG3 GLN 66 -10.258 -10.233 -7.283 534 HE21 GLN 66 HE21 GLN 66 -13.654 -10.515 -6.539 535 HE22 GLN 66 HE22 GLN 66 -12.018 -10.593 -5.974 536 H TYR 67 H TYR 67 -8.340 -7.352 -10.154 537 HA TYR 67 HA TYR 67 -8.351 -7.922 -13.090 538 HB2 TYR 67 HB2 TYR 67 -9.505 -5.495 -11.655 539 HB3 TYR 67 HB3 TYR 67 -9.505 -5.761 -13.393 540 HD1 TYR 67 HD1 TYR 67 -10.581 -8.098 -14.135 541 HD2 TYR 67 HD2 TYR 67 -11.408 -6.014 -10.478 542 HE1 TYR 67 HE1 TYR 67 -12.747 -9.274 -13.954 543 HE2 TYR 67 HE2 TYR 67 -13.574 -7.191 -10.296 544 HH TYR 67 HH TYR 67 -14.549 -9.630 -12.689 545 H GLY 68 H GLY 68 -7.280 -5.608 -10.587 546 HA2 GLY 68 HA2 GLY 68 -4.734 -5.430 -10.612 547 HA3 GLY 68 HA3 GLY 68 -4.895 -5.055 -12.318 548 H LEU 69 H LEU 69 -3.619 -3.136 -11.361 549 HA LEU 69 HA LEU 69 -4.873 -1.307 -9.574 550 HB2 LEU 69 HB2 LEU 69 -2.452 -1.343 -9.981 551 HB3 LEU 69 HB3 LEU 69 -2.706 -0.840 -11.655 552 HG LEU 69 HG LEU 69 -3.592 1.332 -10.863 553 HD11 LEU 69 HD11 LEU 69 -3.389 1.921 -8.488 554 HD12 LEU 69 HD12 LEU 69 -4.521 0.570 -8.737 555 HD13 LEU 69 HD13 LEU 69 -2.882 0.256 -8.120 556 HD21 LEU 69 HD21 LEU 69 -1.433 2.203 -10.034 557 HD22 LEU 69 HD22 LEU 69 -0.896 0.542 -9.686 558 HD23 LEU 69 HD23 LEU 69 -1.188 1.048 -11.367 559 H GLU 70 H GLU 70 -4.680 -1.383 -13.133 560 HA GLU 70 HA GLU 70 -5.856 1.071 -13.732 561 HB2 GLU 70 HB2 GLU 70 -4.959 -0.497 -15.428 562 HB3 GLU 70 HB3 GLU 70 -6.309 -1.590 -15.144 563 HG2 GLU 70 HG2 GLU 70 -7.876 0.122 -15.948 564 HG3 GLU 70 HG3 GLU 70 -6.533 1.232 -16.216 565 H ALA 71 H ALA 71 -7.549 -2.030 -13.154 566 HA ALA 71 HA ALA 71 -10.170 -0.884 -13.316 567 HB1 ALA 71 HB1 ALA 71 -10.913 -2.988 -12.250 568 HB2 ALA 71 HB2 ALA 71 -9.773 -3.290 -13.584 569 HB3 ALA 71 HB3 ALA 71 -9.218 -3.398 -11.897 570 H ALA 72 H ALA 72 -7.934 -1.449 -10.623 571 HA ALA 72 HA ALA 72 -9.747 -0.835 -8.527 572 HB1 ALA 72 HB1 ALA 72 -7.721 -0.409 -7.172 573 HB2 ALA 72 HB2 ALA 72 -7.569 -1.898 -8.135 574 HB3 ALA 72 HB3 ALA 72 -6.739 -0.414 -8.656 575 H ARG 73 H ARG 73 -7.729 1.239 -10.559 576 HA ARG 73 HA ARG 73 -8.331 3.653 -9.073 577 HB2 ARG 73 HB2 ARG 73 -7.180 3.130 -11.824 578 HB3 ARG 73 HB3 ARG 73 -7.478 4.756 -11.228 579 HG2 ARG 73 HG2 ARG 73 -5.933 4.382 -9.367 580 HG3 ARG 73 HG3 ARG 73 -5.654 2.716 -9.928 581 HD2 ARG 73 HD2 ARG 73 -4.603 3.445 -11.884 582 HD3 ARG 73 HD3 ARG 73 -5.172 5.114 -11.662 583 HE ARG 73 HE ARG 73 -3.646 4.516 -9.417 584 HH11 ARG 73 HH11 ARG 73 -3.156 4.687 -12.891 585 HH12 ARG 73 HH12 ARG 73 -1.470 5.138 -12.759 586 HH21 ARG 73 HH21 ARG 73 -1.458 5.104 -9.256 587 HH22 ARG 73 HH22 ARG 73 -0.509 5.375 -10.702 588 H SER 74 H SER 74 -9.725 1.980 -11.857 589 HA SER 74 HA SER 74 -11.566 4.169 -12.459 590 HB2 SER 74 HB2 SER 74 -12.446 2.705 -14.153 591 HB3 SER 74 HB3 SER 74 -10.693 2.593 -14.187 592 HG SER 74 HG SER 74 -12.565 0.734 -13.611 593 H GLY 75 H GLY 75 -11.479 1.498 -10.294 594 HA2 GLY 75 HA2 GLY 75 -13.063 1.069 -8.582 595 HA3 GLY 75 HA3 GLY 75 -14.236 2.077 -9.409 596 H GLY 76 H GLY 76 -12.527 -0.209 -11.365 597 HA2 GLY 76 HA2 GLY 76 -13.466 -2.633 -11.391 598 HA3 GLY 76 HA3 GLY 76 -15.022 -1.846 -11.566 599 HA PRO 77 HA PRO 77 -12.517 -2.396 -15.659 600 HB2 PRO 77 HB2 PRO 77 -14.435 -4.728 -15.949 601 HB3 PRO 77 HB3 PRO 77 -12.763 -4.585 -16.508 602 HG2 PRO 77 HG2 PRO 77 -13.250 -6.036 -14.328 603 HG3 PRO 77 HG3 PRO 77 -11.855 -4.951 -14.340 604 HD2 PRO 77 HD2 PRO 77 -14.608 -4.519 -13.103 605 HD3 PRO 77 HD3 PRO 77 -12.976 -4.166 -12.403 606 H SER 78 H SER 78 -13.409 -1.622 -17.590 607 HA SER 78 HA SER 78 -15.829 -0.128 -17.351 608 HB2 SER 78 HB2 SER 78 -15.490 0.444 -19.677 609 HB3 SER 78 HB3 SER 78 -13.941 0.465 -18.848 610 HG SER 78 HG SER 78 -14.883 -1.159 -20.820 611 H PHE 79 H PHE 79 -15.142 -3.356 -18.520 612 HA PHE 79 HA PHE 79 -18.061 -3.658 -19.099 613 HB2 PHE 79 HB3 PHE 79 -15.716 -5.270 -20.185 614 HB3 PHE 79 HB2 PHE 79 -17.409 -5.615 -20.499 615 HD1 PHE 79 HD1 PHE 79 -14.536 -3.901 -21.629 616 HD2 PHE 79 HD2 PHE 79 -18.803 -3.678 -21.562 617 HE1 PHE 79 HE1 PHE 79 -14.485 -2.375 -23.575 618 HE2 PHE 79 HE2 PHE 79 -18.755 -2.155 -23.509 619 HZ PHE 79 HZ PHE 79 -16.596 -1.502 -24.513 620 H GLY 80 H GLY 80 -16.758 -3.759 -16.482 621 HA2 GLY 80 HA2 GLY 80 -16.815 -6.662 -15.826 622 HA3 GLY 80 HA3 GLY 80 -16.170 -5.389 -14.809 623 HA PRO 81 HA PRO 81 -20.242 -6.619 -13.062 624 HB2 PRO 81 HB2 PRO 81 -18.753 -5.503 -10.661 625 HB3 PRO 81 HB3 PRO 81 -19.792 -6.932 -10.760 626 HG2 PRO 81 HG2 PRO 81 -17.154 -7.290 -10.719 627 HG3 PRO 81 HG3 PRO 81 -18.126 -8.243 -11.845 628 HD2 PRO 81 HD2 PRO 81 -16.476 -5.738 -12.380 629 HD3 PRO 81 HD3 PRO 81 -16.601 -7.253 -13.363 Start of MODEL 13 1 HA SER 1 HA SER 1 -2.483 -15.533 -3.947 2 HB2 SER 1 HB2 SER 1 -0.830 -13.792 -3.572 3 HB3 SER 1 HB3 SER 1 -0.023 -15.319 -3.893 4 HG SER 1 HG SER 1 0.721 -14.590 -5.677 5 H VAL 2 H VAL 2 -1.146 -13.042 -6.005 6 HA VAL 2 HA VAL 2 -3.925 -12.156 -6.654 7 HB VAL 2 HB VAL 2 -3.191 -9.818 -6.275 8 HG11 VAL 2 HG11 VAL 2 -3.116 -9.892 -3.830 9 HG12 VAL 2 HG12 VAL 2 -4.332 -11.009 -4.494 10 HG13 VAL 2 HG13 VAL 2 -2.778 -11.638 -3.895 11 HG21 VAL 2 HG21 VAL 2 -1.047 -9.400 -5.110 12 HG22 VAL 2 HG22 VAL 2 -0.651 -11.131 -5.221 13 HG23 VAL 2 HG23 VAL 2 -0.780 -10.149 -6.701 14 H LYS 3 H LYS 3 -4.074 -10.669 -8.472 15 HA LYS 3 HA LYS 3 -2.543 -11.560 -10.724 16 HB2 LYS 3 HB2 LYS 3 -4.835 -10.701 -10.954 17 HB3 LYS 3 HB3 LYS 3 -4.328 -9.116 -10.386 18 HG2 LYS 3 HG2 LYS 3 -2.949 -8.794 -12.366 19 HG3 LYS 3 HG3 LYS 3 -3.314 -10.434 -12.921 20 HD2 LYS 3 HD2 LYS 3 -5.671 -9.884 -13.173 21 HD3 LYS 3 HD3 LYS 3 -5.415 -8.288 -12.455 22 HE2 LYS 3 HE2 LYS 3 -4.004 -7.620 -14.327 23 HE3 LYS 3 HE3 LYS 3 -4.085 -9.243 -15.016 24 HZ1 LYS 3 HZ1 LYS 3 -5.607 -7.753 -16.089 25 HZ2 LYS 3 HZ2 LYS 3 -6.446 -8.939 -15.308 26 HZ3 LYS 3 HZ3 LYS 3 -6.372 -7.422 -14.666 27 H GLU 4 H GLU 4 -2.599 -8.370 -9.088 28 HA GLU 4 HA GLU 4 0.154 -7.931 -10.168 29 HB2 GLU 4 HB2 GLU 4 -1.973 -5.902 -9.368 30 HB3 GLU 4 HB3 GLU 4 -0.336 -5.493 -9.860 31 HG2 GLU 4 HG2 GLU 4 -0.762 -6.535 -12.069 32 HG3 GLU 4 HG3 GLU 4 -2.419 -6.869 -11.570 33 H THR 5 H THR 5 1.761 -7.132 -8.848 34 HA THR 5 HA THR 5 1.151 -7.328 -5.925 35 HB THR 5 HB THR 5 3.500 -8.076 -5.615 36 HG1 THR 5 HG1 THR 5 4.739 -7.517 -7.255 37 HG21 THR 5 HG21 THR 5 3.252 -10.320 -6.604 38 HG22 THR 5 HG22 THR 5 1.714 -9.759 -5.905 39 HG23 THR 5 HG23 THR 5 1.960 -9.714 -7.665 40 H LYS 6 H LYS 6 1.530 -5.092 -8.171 41 HA LYS 6 HA LYS 6 3.821 -3.588 -7.521 42 HB2 LYS 6 HB2 LYS 6 2.411 -3.145 -9.499 43 HB3 LYS 6 HB3 LYS 6 1.099 -2.599 -8.464 44 HG2 LYS 6 HG2 LYS 6 2.464 -0.710 -7.692 45 HG3 LYS 6 HG3 LYS 6 3.816 -1.269 -8.686 46 HD2 LYS 6 HD2 LYS 6 2.462 -0.983 -10.723 47 HD3 LYS 6 HD3 LYS 6 1.079 -0.470 -9.745 48 HE2 LYS 6 HE2 LYS 6 2.359 1.471 -8.929 49 HE3 LYS 6 HE3 LYS 6 3.764 0.954 -9.863 50 HZ1 LYS 6 HZ1 LYS 6 2.522 2.643 -11.002 51 HZ2 LYS 6 HZ2 LYS 6 2.467 1.236 -11.863 52 HZ3 LYS 6 HZ3 LYS 6 1.153 1.721 -10.990 53 H LEU 7 H LEU 7 0.505 -3.258 -6.218 54 HA LEU 7 HA LEU 7 1.212 -1.050 -4.516 55 HB2 LEU 7 HB2 LEU 7 -1.144 -2.968 -4.412 56 HB3 LEU 7 HB3 LEU 7 -1.008 -1.484 -3.463 57 HG LEU 7 HG LEU 7 -1.235 -1.689 -6.484 58 HD11 LEU 7 HD11 LEU 7 -3.377 -0.552 -6.105 59 HD12 LEU 7 HD12 LEU 7 -3.308 -2.120 -5.270 60 HD13 LEU 7 HD13 LEU 7 -3.096 -0.612 -4.348 61 HD21 LEU 7 HD21 LEU 7 -1.272 0.781 -6.419 62 HD22 LEU 7 HD22 LEU 7 -0.963 0.739 -4.666 63 HD23 LEU 7 HD23 LEU 7 0.272 0.148 -5.803 64 H TYR 8 H TYR 8 1.151 -4.547 -4.107 65 HA TYR 8 HA TYR 8 1.489 -4.494 -1.237 66 HB2 TYR 8 HB2 TYR 8 2.051 -6.643 -3.317 67 HB3 TYR 8 HB3 TYR 8 2.221 -6.895 -1.585 68 HD1 TYR 8 HD1 TYR 8 0.020 -7.046 -4.358 69 HD2 TYR 8 HD2 TYR 8 0.125 -6.368 -0.122 70 HE1 TYR 8 HE1 TYR 8 -2.379 -7.621 -4.205 71 HE2 TYR 8 HE2 TYR 8 -2.273 -6.943 0.031 72 HH TYR 8 HH TYR 8 -4.156 -7.767 -2.871 73 H ASP 9 H ASP 9 3.683 -4.470 -3.999 74 HA ASP 9 HA ASP 9 6.080 -4.809 -2.421 75 HB2 ASP 9 HB2 ASP 9 5.577 -3.716 -5.213 76 HB3 ASP 9 HB3 ASP 9 7.185 -3.823 -4.512 77 H LEU 10 H LEU 10 4.192 -2.028 -3.536 78 HA LEU 10 HA LEU 10 6.011 0.003 -2.711 79 HB2 LEU 10 HB2 LEU 10 2.987 -0.052 -2.952 80 HB3 LEU 10 HB3 LEU 10 3.889 1.406 -2.531 81 HG LEU 10 HG LEU 10 4.256 -0.152 -5.113 82 HD11 LEU 10 HD11 LEU 10 3.005 1.691 -6.146 83 HD12 LEU 10 HD12 LEU 10 2.015 0.808 -4.961 84 HD13 LEU 10 HD13 LEU 10 2.709 2.392 -4.538 85 HD21 LEU 10 HD21 LEU 10 5.485 1.879 -5.800 86 HD22 LEU 10 HD22 LEU 10 5.223 2.585 -4.187 87 HD23 LEU 10 HD23 LEU 10 6.234 1.131 -4.370 88 H LEU 11 H LEU 11 3.428 -1.718 -0.973 89 HA LEU 11 HA LEU 11 3.903 -0.213 1.485 90 HB2 LEU 11 HB2 LEU 11 2.283 -2.719 0.908 91 HB3 LEU 11 HB3 LEU 11 2.325 -1.896 2.470 92 HG LEU 11 HG LEU 11 1.261 -0.736 -0.129 93 HD11 LEU 11 HD11 LEU 11 -0.909 -0.896 1.007 94 HD12 LEU 11 HD12 LEU 11 -0.150 -2.493 0.812 95 HD13 LEU 11 HD13 LEU 11 -0.125 -1.683 2.397 96 HD21 LEU 11 HD21 LEU 11 0.531 1.137 1.310 97 HD22 LEU 11 HD22 LEU 11 1.336 0.380 2.704 98 HD23 LEU 11 HD23 LEU 11 2.303 0.966 1.330 99 H GLY 12 H GLY 12 5.013 -3.194 0.029 100 HA2 GLY 12 HA2 GLY 12 6.880 -4.472 0.651 101 HA3 GLY 12 HA3 GLY 12 7.085 -3.466 2.073 102 H VAL 13 H VAL 13 4.268 -5.375 0.958 103 HA VAL 13 HA VAL 13 4.462 -7.031 3.414 104 HB VAL 13 HB VAL 13 3.064 -5.056 3.992 105 HG11 VAL 13 HG11 VAL 13 0.906 -4.713 2.895 106 HG12 VAL 13 HG12 VAL 13 2.267 -4.495 1.770 107 HG13 VAL 13 HG13 VAL 13 1.300 -5.990 1.720 108 HG21 VAL 13 HG21 VAL 13 1.086 -6.322 4.775 109 HG22 VAL 13 HG22 VAL 13 1.497 -7.647 3.659 110 HG23 VAL 13 HG23 VAL 13 2.584 -7.255 5.012 111 H SER 14 H SER 14 3.531 -9.033 3.270 112 HA SER 14 HA SER 14 3.293 -10.148 0.656 113 HB2 SER 14 HB2 SER 14 3.958 -11.512 2.539 114 HB3 SER 14 HB3 SER 14 2.448 -11.186 3.377 115 HG SER 14 HG SER 14 1.765 -12.856 2.420 116 HA PRO 15 HA PRO 15 -0.864 -9.259 -0.340 117 HB2 PRO 15 HB2 PRO 15 -1.307 -11.201 -2.240 118 HB3 PRO 15 HB3 PRO 15 -0.286 -9.790 -2.546 119 HG2 PRO 15 HG2 PRO 15 0.542 -12.599 -1.704 120 HG3 PRO 15 HG3 PRO 15 1.215 -11.603 -2.997 121 HD2 PRO 15 HD2 PRO 15 2.416 -11.731 -0.563 122 HD3 PRO 15 HD3 PRO 15 2.385 -10.190 -1.509 123 H SER 16 H SER 16 0.250 -12.195 1.063 124 HA SER 16 HA SER 16 -2.354 -13.445 1.407 125 HB2 SER 16 HB2 SER 16 -1.200 -14.991 2.853 126 HB3 SER 16 HB3 SER 16 -0.203 -14.702 1.437 127 HG SER 16 HG SER 16 0.181 -14.037 4.060 128 H ALA 17 H ALA 17 -0.805 -10.773 2.801 129 HA ALA 17 HA ALA 17 -1.876 -11.036 5.477 130 HB1 ALA 17 HB1 ALA 17 -1.192 -8.673 5.727 131 HB2 ALA 17 HB2 ALA 17 0.108 -9.666 5.026 132 HB3 ALA 17 HB3 ALA 17 -0.856 -8.596 3.981 133 H ASN 18 H ASN 18 -3.610 -10.024 6.434 134 HA ASN 18 HA ASN 18 -5.800 -9.327 4.587 135 HB2 ASN 18 HB2 ASN 18 -7.223 -9.389 6.537 136 HB3 ASN 18 HB3 ASN 18 -6.203 -10.822 6.529 137 HD21 ASN 18 HD21 ASN 18 -5.830 -9.991 9.936 138 HD22 ASN 18 HD22 ASN 18 -6.734 -10.935 8.799 139 H GLU 19 H GLU 19 -7.295 -7.494 5.581 140 HA GLU 19 HA GLU 19 -5.952 -5.168 4.682 141 HB2 GLU 19 HB2 GLU 19 -8.545 -5.472 6.248 142 HB3 GLU 19 HB3 GLU 19 -8.000 -3.957 5.542 143 HG2 GLU 19 HG2 GLU 19 -9.442 -4.716 3.934 144 HG3 GLU 19 HG3 GLU 19 -7.902 -5.310 3.316 145 H GLN 20 H GLN 20 -6.457 -6.453 7.918 146 HA GLN 20 HA GLN 20 -5.715 -4.049 9.320 147 HB2 GLN 20 HB2 GLN 20 -5.723 -6.975 10.151 148 HB3 GLN 20 HB3 GLN 20 -5.334 -5.658 11.250 149 HG2 GLN 20 HG2 GLN 20 -7.548 -4.711 10.978 150 HG3 GLN 20 HG3 GLN 20 -7.952 -5.956 9.762 151 HE21 GLN 20 HE21 GLN 20 -9.281 -6.837 13.189 152 HE22 GLN 20 HE22 GLN 20 -9.365 -5.401 12.222 153 H GLU 21 H GLU 21 -3.913 -6.951 8.307 154 HA GLU 21 HA GLU 21 -1.410 -5.994 9.418 155 HB2 GLU 21 HB2 GLU 21 -2.058 -8.186 7.410 156 HB3 GLU 21 HB3 GLU 21 -0.435 -7.859 8.000 157 HG2 GLU 21 HG2 GLU 21 -2.799 -8.669 9.706 158 HG3 GLU 21 HG3 GLU 21 -1.500 -9.730 9.164 159 H LEU 22 H LEU 22 -3.039 -5.767 6.304 160 HA LEU 22 HA LEU 22 -0.830 -4.691 4.834 161 HB2 LEU 22 HB2 LEU 22 -3.830 -4.349 4.512 162 HB3 LEU 22 HB3 LEU 22 -2.642 -3.741 3.355 163 HG LEU 22 HG LEU 22 -2.999 -6.671 4.081 164 HD11 LEU 22 HD11 LEU 22 -4.070 -6.855 1.881 165 HD12 LEU 22 HD12 LEU 22 -4.976 -5.773 2.965 166 HD13 LEU 22 HD13 LEU 22 -3.954 -5.091 1.677 167 HD21 LEU 22 HD21 LEU 22 -1.574 -7.020 2.093 168 HD22 LEU 22 HD22 LEU 22 -1.423 -5.258 1.890 169 HD23 LEU 22 HD23 LEU 22 -0.728 -6.053 3.323 170 H LYS 23 H LYS 23 -3.342 -3.208 6.864 171 HA LYS 23 HA LYS 23 -2.592 -0.496 6.477 172 HB2 LYS 23 HB2 LYS 23 -4.637 -1.176 7.679 173 HB3 LYS 23 HB3 LYS 23 -3.669 -1.871 8.972 174 HG2 LYS 23 HG2 LYS 23 -2.810 0.341 9.564 175 HG3 LYS 23 HG3 LYS 23 -3.698 1.066 8.216 176 HD2 LYS 23 HD2 LYS 23 -5.833 0.335 9.217 177 HD3 LYS 23 HD3 LYS 23 -4.953 -0.416 10.557 178 HE2 LYS 23 HE2 LYS 23 -4.036 1.794 11.192 179 HE3 LYS 23 HE3 LYS 23 -4.917 2.544 9.859 180 HZ1 LYS 23 HZ1 LYS 23 -6.088 2.763 11.925 181 HZ2 LYS 23 HZ2 LYS 23 -6.964 1.827 10.886 182 HZ3 LYS 23 HZ3 LYS 23 -6.140 1.128 12.132 183 H LYS 24 H LYS 24 -1.385 -2.930 8.789 184 HA LYS 24 HA LYS 24 0.480 -1.262 10.119 185 HB2 LYS 24 HB2 LYS 24 0.535 -4.244 9.527 186 HB3 LYS 24 HB3 LYS 24 1.716 -3.444 10.554 187 HG2 LYS 24 HG2 LYS 24 -0.051 -2.764 12.108 188 HG3 LYS 24 HG3 LYS 24 -1.273 -3.496 11.059 189 HD2 LYS 24 HD2 LYS 24 -0.146 -5.708 11.343 190 HD3 LYS 24 HD3 LYS 24 0.996 -4.953 12.465 191 HE2 LYS 24 HE2 LYS 24 -0.837 -4.354 13.978 192 HE3 LYS 24 HE3 LYS 24 -2.021 -5.004 12.841 193 HZ1 LYS 24 HZ1 LYS 24 -1.529 -6.554 14.584 194 HZ2 LYS 24 HZ2 LYS 24 -1.031 -7.169 13.136 195 HZ3 LYS 24 HZ3 LYS 24 0.075 -6.562 14.199 196 H GLY 25 H GLY 25 0.796 -3.160 7.128 197 HA2 GLY 25 HA2 GLY 25 3.527 -2.642 6.581 198 HA3 GLY 25 HA3 GLY 25 2.294 -2.942 5.372 199 H TYR 26 H TYR 26 0.590 -0.778 5.727 200 HA TYR 26 HA TYR 26 1.925 1.323 4.347 201 HB2 TYR 26 HB2 TYR 26 -0.480 1.054 4.160 202 HB3 TYR 26 HB3 TYR 26 -0.694 1.277 5.891 203 HD1 TYR 26 HD1 TYR 26 0.894 3.099 3.016 204 HD2 TYR 26 HD2 TYR 26 -1.483 3.317 6.583 205 HE1 TYR 26 HE1 TYR 26 0.589 5.528 2.667 206 HE2 TYR 26 HE2 TYR 26 -1.787 5.743 6.232 207 HH TYR 26 HH TYR 26 -0.611 7.344 3.319 208 H ARG 27 H ARG 27 1.032 0.980 7.781 209 HA ARG 27 HA ARG 27 1.802 3.551 8.635 210 HB2 ARG 27 HB2 ARG 27 1.868 0.882 10.071 211 HB3 ARG 27 HB3 ARG 27 2.212 2.409 10.870 212 HG2 ARG 27 HG2 ARG 27 -0.033 3.215 10.394 213 HG3 ARG 27 HG3 ARG 27 -0.392 1.729 9.480 214 HD2 ARG 27 HD2 ARG 27 -1.331 1.537 11.651 215 HD3 ARG 27 HD3 ARG 27 0.062 0.436 11.541 216 HE ARG 27 HE ARG 27 0.802 2.997 12.614 217 HH11 ARG 27 HH11 ARG 27 -0.701 -0.075 13.419 218 HH12 ARG 27 HH12 ARG 27 -0.289 0.024 15.114 219 HH21 ARG 27 HH21 ARG 27 1.331 3.115 14.820 220 HH22 ARG 27 HH22 ARG 27 0.861 1.829 15.910 221 H LYS 28 H LYS 28 3.739 0.583 8.287 222 HA LYS 28 HA LYS 28 6.173 1.724 9.293 223 HB2 LYS 28 HB2 LYS 28 5.635 -0.629 7.443 224 HB3 LYS 28 HB3 LYS 28 7.243 -0.201 8.010 225 HG2 LYS 28 HG2 LYS 28 6.542 -0.561 10.336 226 HG3 LYS 28 HG3 LYS 28 4.905 -0.948 9.790 227 HD2 LYS 28 HD2 LYS 28 5.803 -2.852 8.476 228 HD3 LYS 28 HD3 LYS 28 7.431 -2.474 9.057 229 HE2 LYS 28 HE2 LYS 28 6.706 -2.864 11.382 230 HE3 LYS 28 HE3 LYS 28 5.067 -3.210 10.822 231 HZ1 LYS 28 HZ1 LYS 28 6.311 -5.209 11.201 232 HZ2 LYS 28 HZ2 LYS 28 5.943 -5.079 9.598 233 HZ3 LYS 28 HZ3 LYS 28 7.473 -4.756 10.122 234 H ALA 29 H ALA 29 4.895 1.315 5.985 235 HA ALA 29 HA ALA 29 7.159 2.526 4.712 236 HB1 ALA 29 HB1 ALA 29 5.674 2.697 2.740 237 HB2 ALA 29 HB2 ALA 29 5.586 1.089 3.495 238 HB3 ALA 29 HB3 ALA 29 4.283 2.269 3.760 239 H ALA 30 H ALA 30 4.169 3.807 6.070 240 HA ALA 30 HA ALA 30 4.375 6.423 4.946 241 HB1 ALA 30 HB1 ALA 30 2.826 7.087 6.757 242 HB2 ALA 30 HB2 ALA 30 2.304 5.583 5.964 243 HB3 ALA 30 HB3 ALA 30 3.098 5.521 7.553 244 H LEU 31 H LEU 31 5.615 5.026 7.973 245 HA LEU 31 HA LEU 31 6.876 7.422 8.905 246 HB2 LEU 31 HB2 LEU 31 7.476 4.485 9.372 247 HB3 LEU 31 HB3 LEU 31 8.339 5.792 10.189 248 HG LEU 31 HG LEU 31 5.343 5.320 10.392 249 HD11 LEU 31 HD11 LEU 31 5.854 4.446 12.628 250 HD12 LEU 31 HD12 LEU 31 6.606 3.462 11.351 251 HD13 LEU 31 HD13 LEU 31 7.594 4.603 12.293 252 HD21 LEU 31 HD21 LEU 31 5.535 6.910 12.275 253 HD22 LEU 31 HD22 LEU 31 7.272 7.104 11.936 254 HD23 LEU 31 HD23 LEU 31 6.066 7.658 10.750 255 H LYS 32 H LYS 32 7.961 4.776 6.796 256 HA LYS 32 HA LYS 32 10.678 5.534 6.577 257 HB2 LYS 32 HB2 LYS 32 9.762 3.392 5.728 258 HB3 LYS 32 HB3 LYS 32 8.883 4.256 4.474 259 HG2 LYS 32 HG2 LYS 32 10.987 4.989 3.458 260 HG3 LYS 32 HG3 LYS 32 11.902 4.197 4.749 261 HD2 LYS 32 HD2 LYS 32 10.956 2.010 4.079 262 HD3 LYS 32 HD3 LYS 32 10.041 2.803 2.789 263 HE2 LYS 32 HE2 LYS 32 12.152 3.557 1.749 264 HE3 LYS 32 HE3 LYS 32 13.073 2.780 3.040 265 HZ1 LYS 32 HZ1 LYS 32 12.953 1.407 1.093 266 HZ2 LYS 32 HZ2 LYS 32 12.163 0.671 2.341 267 HZ3 LYS 32 HZ3 LYS 32 11.305 1.398 1.133 268 H TYR 33 H TYR 33 7.839 6.596 4.710 269 HA TYR 33 HA TYR 33 9.598 8.594 3.361 270 HB2 TYR 33 HB2 TYR 33 6.866 7.537 2.525 271 HB3 TYR 33 HB3 TYR 33 7.816 8.722 1.641 272 HD1 TYR 33 HD1 TYR 33 6.981 5.339 1.864 273 HD2 TYR 33 HD2 TYR 33 10.314 7.931 1.097 274 HE1 TYR 33 HE1 TYR 33 8.119 3.516 0.641 275 HE2 TYR 33 HE2 TYR 33 11.450 6.107 -0.125 276 HH TYR 33 HH TYR 33 11.269 4.042 -0.933 277 H HIS 34 H HIS 34 8.425 8.789 6.080 278 HA HIS 34 HA HIS 34 6.131 10.521 6.022 279 HB2 HIS 34 HB2 HIS 34 7.085 9.160 8.002 280 HB3 HIS 34 HB3 HIS 34 8.223 10.483 8.210 281 HD2 HIS 34 HD2 HIS 34 4.686 9.549 9.252 282 HE1 HIS 34 HE1 HIS 34 5.081 13.740 9.928 283 HE2 HIS 34 HE2 HIS 34 3.654 11.670 10.353 284 HA PRO 35 HA PRO 35 7.764 14.128 4.362 285 HB2 PRO 35 HB2 PRO 35 5.747 15.410 6.264 286 HB3 PRO 35 HB3 PRO 35 6.049 15.779 4.561 287 HG2 PRO 35 HG2 PRO 35 3.952 14.261 5.159 288 HG3 PRO 35 HG3 PRO 35 4.971 13.797 3.794 289 HD2 PRO 35 HD2 PRO 35 4.895 12.658 6.607 290 HD3 PRO 35 HD3 PRO 35 5.119 11.798 5.030 291 H ASP 36 H ASP 36 7.361 13.750 7.861 292 HA ASP 36 HA ASP 36 9.029 16.137 8.395 293 HB2 ASP 36 HB2 ASP 36 7.439 14.299 10.229 294 HB3 ASP 36 HB3 ASP 36 8.415 15.645 10.800 295 H LYS 37 H LYS 37 9.769 13.160 7.513 296 HA LYS 37 HA LYS 37 12.005 12.911 9.477 297 HB2 LYS 37 HB2 LYS 37 10.841 10.840 7.571 298 HB3 LYS 37 HB3 LYS 37 12.223 10.576 8.624 299 HG2 LYS 37 HG2 LYS 37 9.430 11.257 9.588 300 HG3 LYS 37 HG3 LYS 37 10.112 9.628 9.505 301 HD2 LYS 37 HD2 LYS 37 11.948 10.356 11.038 302 HD3 LYS 37 HD3 LYS 37 11.170 11.938 11.172 303 HE2 LYS 37 HE2 LYS 37 9.124 10.831 12.060 304 HE3 LYS 37 HE3 LYS 37 9.949 9.273 11.977 305 HZ1 LYS 37 HZ1 LYS 37 10.058 10.214 14.167 306 HZ2 LYS 37 HZ2 LYS 37 11.575 10.120 13.527 307 HZ3 LYS 37 HZ3 LYS 37 10.802 11.573 13.604 308 HA PRO 38 HA PRO 38 15.064 14.066 6.687 309 HB2 PRO 38 HB2 PRO 38 16.403 11.396 7.281 310 HB3 PRO 38 HB3 PRO 38 17.102 13.020 7.311 311 HG2 PRO 38 HG2 PRO 38 16.464 11.884 9.629 312 HG3 PRO 38 HG3 PRO 38 16.059 13.584 9.377 313 HD2 PRO 38 HD2 PRO 38 14.265 11.134 9.181 314 HD3 PRO 38 HD3 PRO 38 13.914 12.749 9.917 315 H THR 39 H THR 39 13.766 10.784 6.446 316 HA THR 39 HA THR 39 14.657 10.590 3.617 317 HB THR 39 HB THR 39 13.960 8.204 3.787 318 HG1 THR 39 HG1 THR 39 12.456 7.994 5.303 319 HG21 THR 39 HG21 THR 39 15.712 7.492 5.366 320 HG22 THR 39 HG22 THR 39 16.271 8.855 4.369 321 HG23 THR 39 HG23 THR 39 15.767 9.132 6.052 322 H GLY 40 H GLY 40 12.363 12.243 4.781 323 HA2 GLY 40 HA2 GLY 40 9.874 11.115 3.990 324 HA3 GLY 40 HA3 GLY 40 10.213 12.829 4.140 325 H ASP 41 H ASP 41 8.712 11.159 2.105 326 HA ASP 41 HA ASP 41 9.775 12.534 -0.261 327 HB2 ASP 41 HB2 ASP 41 11.045 10.383 -0.219 328 HB3 ASP 41 HB3 ASP 41 9.527 9.498 -0.224 329 H THR 42 H THR 42 7.991 13.593 -0.810 330 HA THR 42 HA THR 42 5.374 12.760 -0.087 331 HB THR 42 HB THR 42 6.251 14.749 -2.224 332 HG1 THR 42 HG1 THR 42 5.518 16.164 -0.370 333 HG21 THR 42 HG21 THR 42 3.982 15.676 -1.983 334 HG22 THR 42 HG22 THR 42 3.925 13.994 -2.561 335 HG23 THR 42 HG23 THR 42 3.560 14.364 -0.860 336 H GLU 43 H GLU 43 7.172 12.446 -3.135 337 HA GLU 43 HA GLU 43 5.026 11.490 -4.724 338 HB2 GLU 43 HB2 GLU 43 7.197 12.219 -5.655 339 HB3 GLU 43 HB3 GLU 43 7.997 10.843 -4.909 340 HG2 GLU 43 HG2 GLU 43 6.711 9.304 -6.302 341 HG3 GLU 43 HG3 GLU 43 5.831 10.655 -7.014 342 H LYS 44 H LYS 44 7.501 9.664 -2.893 343 HA LYS 44 HA LYS 44 6.329 7.104 -3.529 344 HB2 LYS 44 HB2 LYS 44 8.275 7.917 -1.334 345 HB3 LYS 44 HB3 LYS 44 7.856 6.256 -1.732 346 HG2 LYS 44 HG2 LYS 44 9.255 8.240 -3.550 347 HG3 LYS 44 HG3 LYS 44 9.985 6.855 -2.726 348 HD2 LYS 44 HD2 LYS 44 7.696 6.575 -4.697 349 HD3 LYS 44 HD3 LYS 44 9.397 6.514 -5.182 350 HE2 LYS 44 HE2 LYS 44 9.748 4.629 -3.580 351 HE3 LYS 44 HE3 LYS 44 8.025 4.661 -3.198 352 HZ1 LYS 44 HZ1 LYS 44 8.533 3.011 -4.843 353 HZ2 LYS 44 HZ2 LYS 44 7.564 4.171 -5.501 354 HZ3 LYS 44 HZ3 LYS 44 9.174 4.141 -5.858 355 H PHE 45 H PHE 45 5.948 9.413 -0.894 356 HA PHE 45 HA PHE 45 4.438 7.738 0.854 357 HB2 PHE 45 HB3 PHE 45 5.431 10.017 1.390 358 HB3 PHE 45 HB2 PHE 45 4.111 10.738 0.484 359 HD1 PHE 45 HD1 PHE 45 1.890 10.843 1.375 360 HD2 PHE 45 HD2 PHE 45 4.992 8.814 3.497 361 HE1 PHE 45 HE1 PHE 45 0.466 10.782 3.396 362 HE2 PHE 45 HE2 PHE 45 3.573 8.748 5.518 363 HZ PHE 45 HZ PHE 45 1.307 9.735 5.467 364 H LYS 46 H LYS 46 3.474 9.857 -1.841 365 HA LYS 46 HA LYS 46 0.664 9.424 -1.606 366 HB2 LYS 46 HB2 LYS 46 1.667 11.204 -3.009 367 HB3 LYS 46 HB3 LYS 46 2.330 9.988 -4.091 368 HG2 LYS 46 HG2 LYS 46 0.071 9.275 -4.721 369 HG3 LYS 46 HG3 LYS 46 -0.625 10.444 -3.591 370 HD2 LYS 46 HD2 LYS 46 0.417 12.297 -4.845 371 HD3 LYS 46 HD3 LYS 46 1.145 11.135 -5.964 372 HE2 LYS 46 HE2 LYS 46 -1.113 10.367 -6.632 373 HE3 LYS 46 HE3 LYS 46 -1.837 11.533 -5.520 374 HZ1 LYS 46 HZ1 LYS 46 -1.778 12.365 -7.756 375 HZ2 LYS 46 HZ2 LYS 46 -0.813 13.293 -6.792 376 HZ3 LYS 46 HZ3 LYS 46 -0.139 12.203 -7.830 377 H GLU 47 H GLU 47 3.201 7.646 -3.349 378 HA GLU 47 HA GLU 47 1.484 5.906 -4.787 379 HB2 GLU 47 HB2 GLU 47 4.329 5.565 -3.777 380 HB3 GLU 47 HB3 GLU 47 3.527 4.361 -4.775 381 HG2 GLU 47 HG2 GLU 47 3.243 6.013 -6.567 382 HG3 GLU 47 HG3 GLU 47 4.017 7.240 -5.566 383 H ILE 48 H ILE 48 2.999 5.541 -1.578 384 HA ILE 48 HA ILE 48 1.869 2.900 -1.174 385 HB ILE 48 HB ILE 48 2.722 3.131 1.138 386 HG12 ILE 48 HG12 ILE 48 3.507 5.954 0.386 387 HG13 ILE 48 HG13 ILE 48 2.095 5.552 1.352 388 HG21 ILE 48 HG21 ILE 48 5.101 3.446 0.592 389 HG22 ILE 48 HG22 ILE 48 4.283 2.475 -0.652 390 HG23 ILE 48 HG23 ILE 48 4.652 4.187 -0.961 391 HD11 ILE 48 HD11 ILE 48 3.964 6.208 2.760 392 HD12 ILE 48 HD12 ILE 48 3.536 4.503 3.042 393 HD13 ILE 48 HD13 ILE 48 4.966 4.912 2.065 394 H SER 49 H SER 49 0.821 6.173 -0.606 395 HA SER 49 HA SER 49 -1.293 5.512 1.251 396 HB2 SER 49 HB2 SER 49 -0.872 7.867 -0.613 397 HB3 SER 49 HB3 SER 49 -2.193 7.759 0.540 398 HG SER 49 HG SER 49 0.556 7.937 0.976 399 H GLU 50 H GLU 50 -1.112 5.898 -2.289 400 HA GLU 50 HA GLU 50 -3.834 5.210 -2.818 401 HB2 GLU 50 HB2 GLU 50 -1.277 4.931 -4.429 402 HB3 GLU 50 HB3 GLU 50 -2.833 4.409 -5.059 403 HG2 GLU 50 HG2 GLU 50 -3.710 6.692 -4.806 404 HG3 GLU 50 HG3 GLU 50 -2.156 7.218 -4.161 405 H ALA 51 H ALA 51 -0.888 3.217 -2.531 406 HA ALA 51 HA ALA 51 -2.100 0.711 -3.021 407 HB1 ALA 51 HB1 ALA 51 -0.204 -0.240 -1.747 408 HB2 ALA 51 HB2 ALA 51 0.331 1.016 -2.889 409 HB3 ALA 51 HB3 ALA 51 0.201 1.388 -1.154 410 H PHE 52 H PHE 52 -1.754 2.542 0.012 411 HA PHE 52 HA PHE 52 -2.916 0.601 1.726 412 HB2 PHE 52 HB3 PHE 52 -1.761 2.508 2.659 413 HB3 PHE 52 HB2 PHE 52 -2.852 3.637 1.869 414 HD1 PHE 52 HD1 PHE 52 -3.050 0.710 4.201 415 HD2 PHE 52 HD2 PHE 52 -4.479 4.601 3.165 416 HE1 PHE 52 HE1 PHE 52 -4.497 0.711 6.205 417 HE2 PHE 52 HE2 PHE 52 -5.925 4.606 5.169 418 HZ PHE 52 HZ PHE 52 -5.935 2.659 6.689 419 H GLU 53 H GLU 53 -4.467 3.469 0.225 420 HA GLU 53 HA GLU 53 -7.048 2.986 1.228 421 HB2 GLU 53 HB2 GLU 53 -6.393 5.102 0.151 422 HB3 GLU 53 HB3 GLU 53 -6.229 4.290 -1.400 423 HG2 GLU 53 HG2 GLU 53 -8.648 3.767 -1.362 424 HG3 GLU 53 HG3 GLU 53 -8.795 4.629 0.168 425 H ILE 54 H ILE 54 -5.631 1.945 -1.885 426 HA ILE 54 HA ILE 54 -8.016 0.704 -2.849 427 HB ILE 54 HB ILE 54 -5.084 0.288 -3.547 428 HG12 ILE 54 HG12 ILE 54 -7.279 1.617 -5.141 429 HG13 ILE 54 HG13 ILE 54 -6.236 2.494 -4.031 430 HG21 ILE 54 HG21 ILE 54 -5.885 -0.935 -5.527 431 HG22 ILE 54 HG22 ILE 54 -6.342 -1.775 -4.028 432 HG23 ILE 54 HG23 ILE 54 -7.555 -0.830 -4.921 433 HD11 ILE 54 HD11 ILE 54 -5.432 2.676 -6.318 434 HD12 ILE 54 HD12 ILE 54 -4.261 1.791 -5.311 435 HD13 ILE 54 HD13 ILE 54 -5.318 0.905 -6.438 436 H LEU 55 H LEU 55 -5.274 -0.521 -0.960 437 HA LEU 55 HA LEU 55 -6.346 -3.263 -1.088 438 HB2 LEU 55 HB2 LEU 55 -3.895 -2.117 0.296 439 HB3 LEU 55 HB3 LEU 55 -4.314 -3.831 0.233 440 HG LEU 55 HG LEU 55 -3.634 -2.092 -2.165 441 HD11 LEU 55 HD11 LEU 55 -1.569 -3.420 -2.219 442 HD12 LEU 55 HD12 LEU 55 -1.718 -2.496 -0.705 443 HD13 LEU 55 HD13 LEU 55 -2.060 -4.242 -0.719 444 HD21 LEU 55 HD21 LEU 55 -3.638 -4.246 -3.378 445 HD22 LEU 55 HD22 LEU 55 -4.158 -5.082 -1.894 446 HD23 LEU 55 HD23 LEU 55 -5.237 -3.904 -2.677 447 H ASN 56 H ASN 56 -6.693 -0.512 0.865 448 HA ASN 56 HA ASN 56 -7.241 -1.945 3.350 449 HB2 ASN 56 HB2 ASN 56 -6.442 0.403 3.325 450 HB3 ASN 56 HB3 ASN 56 -7.928 0.896 2.522 451 HD21 ASN 56 HD21 ASN 56 -9.563 1.403 5.509 452 HD22 ASN 56 HD22 ASN 56 -9.295 1.829 3.852 453 H ASP 57 H ASP 57 -9.288 -0.171 1.001 454 HA ASP 57 HA ASP 57 -11.751 -1.230 2.015 455 HB2 ASP 57 HB2 ASP 57 -11.577 0.783 0.545 456 HB3 ASP 57 HB3 ASP 57 -11.102 -0.253 -0.795 457 HA PRO 58 HA PRO 58 -11.078 -5.424 0.872 458 HB2 PRO 58 HB2 PRO 58 -14.102 -5.373 1.267 459 HB3 PRO 58 HB3 PRO 58 -12.936 -6.581 1.820 460 HG2 PRO 58 HG2 PRO 58 -13.813 -4.797 3.581 461 HG3 PRO 58 HG3 PRO 58 -12.088 -5.174 3.549 462 HD2 PRO 58 HD2 PRO 58 -13.547 -2.773 2.394 463 HD3 PRO 58 HD3 PRO 58 -11.951 -2.841 3.242 464 H GLN 59 H GLN 59 -13.672 -3.367 -0.442 465 HA GLN 59 HA GLN 59 -14.285 -5.063 -2.687 466 HB2 GLN 59 HB2 GLN 59 -14.788 -2.110 -2.162 467 HB3 GLN 59 HB3 GLN 59 -15.376 -2.950 -3.590 468 HG2 GLN 59 HG2 GLN 59 -16.704 -4.449 -2.209 469 HG3 GLN 59 HG3 GLN 59 -16.067 -3.669 -0.735 470 HE21 GLN 59 HE21 GLN 59 -19.424 -2.260 -1.482 471 HE22 GLN 59 HE22 GLN 59 -18.785 -3.835 -1.149 472 H LYS 60 H LYS 60 -12.260 -2.147 -2.315 473 HA LYS 60 HA LYS 60 -11.436 -2.109 -5.074 474 HB2 LYS 60 HB2 LYS 60 -10.264 -0.852 -2.566 475 HB3 LYS 60 HB3 LYS 60 -9.596 -0.593 -4.172 476 HG2 LYS 60 HG2 LYS 60 -11.732 0.391 -4.911 477 HG3 LYS 60 HG3 LYS 60 -12.410 0.122 -3.299 478 HD2 LYS 60 HD2 LYS 60 -10.667 1.581 -2.321 479 HD3 LYS 60 HD3 LYS 60 -9.991 1.852 -3.934 480 HE2 LYS 60 HE2 LYS 60 -12.119 2.869 -4.663 481 HE3 LYS 60 HE3 LYS 60 -12.812 2.584 -3.064 482 HZ1 LYS 60 HZ1 LYS 60 -12.015 4.820 -3.296 483 HZ2 LYS 60 HZ2 LYS 60 -11.133 4.032 -2.144 484 HZ3 LYS 60 HZ3 LYS 60 -10.488 4.299 -3.638 485 H ARG 61 H ARG 61 -10.129 -3.580 -2.135 486 HA ARG 61 HA ARG 61 -7.624 -4.394 -3.212 487 HB2 ARG 61 HB2 ARG 61 -8.151 -4.462 -0.807 488 HB3 ARG 61 HB3 ARG 61 -9.338 -5.726 -1.087 489 HG2 ARG 61 HG2 ARG 61 -7.493 -7.197 -1.924 490 HG3 ARG 61 HG3 ARG 61 -6.341 -5.929 -1.441 491 HD2 ARG 61 HD2 ARG 61 -6.612 -7.714 0.225 492 HD3 ARG 61 HD3 ARG 61 -7.039 -6.100 0.836 493 HE ARG 61 HE ARG 61 -9.121 -6.896 1.274 494 HH11 ARG 61 HH11 ARG 61 -7.739 -8.842 -1.303 495 HH12 ARG 61 HH12 ARG 61 -9.109 -9.925 -1.391 496 HH21 ARG 61 HH21 ARG 61 -10.896 -8.308 1.150 497 HH22 ARG 61 HH22 ARG 61 -10.897 -9.623 -0.004 498 H GLU 62 H GLU 62 -10.770 -6.083 -3.047 499 HA GLU 62 HA GLU 62 -9.890 -8.482 -4.307 500 HB2 GLU 62 HB2 GLU 62 -12.613 -7.156 -4.078 501 HB3 GLU 62 HB3 GLU 62 -12.391 -8.696 -4.896 502 HG2 GLU 62 HG2 GLU 62 -11.582 -8.190 -2.027 503 HG3 GLU 62 HG3 GLU 62 -13.151 -8.830 -2.512 504 H ILE 63 H ILE 63 -11.200 -5.454 -5.626 505 HA ILE 63 HA ILE 63 -11.271 -6.254 -8.354 506 HB ILE 63 HB ILE 63 -10.847 -3.541 -7.047 507 HG12 ILE 63 HG12 ILE 63 -13.240 -4.633 -8.535 508 HG13 ILE 63 HG13 ILE 63 -13.042 -4.765 -6.795 509 HG21 ILE 63 HG21 ILE 63 -11.269 -2.565 -9.268 510 HG22 ILE 63 HG22 ILE 63 -9.783 -3.542 -9.271 511 HG23 ILE 63 HG23 ILE 63 -11.276 -4.194 -9.987 512 HD11 ILE 63 HD11 ILE 63 -14.451 -2.870 -7.376 513 HD12 ILE 63 HD12 ILE 63 -12.943 -2.316 -6.607 514 HD13 ILE 63 HD13 ILE 63 -13.145 -2.183 -8.370 515 H TYR 64 H TYR 64 -8.689 -4.653 -6.467 516 HA TYR 64 HA TYR 64 -6.782 -4.553 -8.570 517 HB2 TYR 64 HB2 TYR 64 -6.495 -3.283 -6.496 518 HB3 TYR 64 HB3 TYR 64 -6.386 -4.767 -5.559 519 HD1 TYR 64 HD1 TYR 64 -4.705 -2.866 -8.294 520 HD2 TYR 64 HD2 TYR 64 -4.329 -5.806 -5.192 521 HE1 TYR 64 HE1 TYR 64 -2.254 -2.886 -8.610 522 HE2 TYR 64 HE2 TYR 64 -1.878 -5.827 -5.508 523 HH TYR 64 HH TYR 64 -0.338 -3.929 -8.071 524 H ASP 65 H ASP 65 -7.364 -7.050 -6.090 525 HA ASP 65 HA ASP 65 -5.109 -8.650 -6.817 526 HB2 ASP 65 HB2 ASP 65 -7.705 -9.373 -5.401 527 HB3 ASP 65 HB3 ASP 65 -6.339 -10.469 -5.562 528 H GLN 66 H GLN 66 -8.383 -8.433 -8.058 529 HA GLN 66 HA GLN 66 -7.918 -10.883 -9.690 530 HB2 GLN 66 HB2 GLN 66 -10.486 -9.414 -8.975 531 HB3 GLN 66 HB3 GLN 66 -10.405 -10.783 -10.074 532 HG2 GLN 66 HG2 GLN 66 -9.574 -10.842 -7.166 533 HG3 GLN 66 HG3 GLN 66 -11.132 -11.419 -7.822 534 HE21 GLN 66 HE21 GLN 66 -8.194 -13.998 -7.506 535 HE22 GLN 66 HE22 GLN 66 -8.454 -12.576 -6.551 536 H TYR 67 H TYR 67 -9.636 -7.754 -10.077 537 HA TYR 67 HA TYR 67 -9.637 -8.083 -12.950 538 HB2 TYR 67 HB2 TYR 67 -10.396 -5.747 -11.155 539 HB3 TYR 67 HB3 TYR 67 -10.582 -5.725 -12.903 540 HD1 TYR 67 HD1 TYR 67 -11.551 -8.432 -13.499 541 HD2 TYR 67 HD2 TYR 67 -12.529 -5.782 -10.270 542 HE1 TYR 67 HE1 TYR 67 -13.760 -9.516 -13.278 543 HE2 TYR 67 HE2 TYR 67 -14.740 -6.867 -10.049 544 HH TYR 67 HH TYR 67 -16.152 -8.355 -10.909 545 H GLY 68 H GLY 68 -7.779 -6.097 -10.670 546 HA2 GLY 68 HA2 GLY 68 -5.355 -5.893 -11.420 547 HA3 GLY 68 HA3 GLY 68 -5.995 -5.333 -12.956 548 H LEU 69 H LEU 69 -4.321 -3.620 -11.956 549 HA LEU 69 HA LEU 69 -5.278 -1.947 -9.822 550 HB2 LEU 69 HB2 LEU 69 -2.895 -2.154 -10.385 551 HB3 LEU 69 HB3 LEU 69 -3.187 -1.424 -11.967 552 HG LEU 69 HG LEU 69 -3.805 0.703 -10.875 553 HD11 LEU 69 HD11 LEU 69 -3.458 0.974 -8.460 554 HD12 LEU 69 HD12 LEU 69 -4.727 -0.224 -8.812 555 HD13 LEU 69 HD13 LEU 69 -3.105 -0.765 -8.317 556 HD21 LEU 69 HD21 LEU 69 -1.541 1.257 -10.055 557 HD22 LEU 69 HD22 LEU 69 -1.159 -0.477 -9.934 558 HD23 LEU 69 HD23 LEU 69 -1.463 0.258 -11.527 559 H GLU 70 H GLU 70 -5.246 -1.600 -13.374 560 HA GLU 70 HA GLU 70 -6.184 1.008 -13.611 561 HB2 GLU 70 HB2 GLU 70 -5.530 -0.421 -15.527 562 HB3 GLU 70 HB3 GLU 70 -6.979 -1.394 -15.307 563 HG2 GLU 70 HG2 GLU 70 -8.379 0.555 -15.821 564 HG3 GLU 70 HG3 GLU 70 -6.937 1.549 -16.014 565 H ALA 71 H ALA 71 -8.148 -1.955 -13.238 566 HA ALA 71 HA ALA 71 -10.659 -0.587 -13.229 567 HB1 ALA 71 HB1 ALA 71 -11.549 -2.684 -12.263 568 HB2 ALA 71 HB2 ALA 71 -10.475 -2.999 -13.647 569 HB3 ALA 71 HB3 ALA 71 -9.886 -3.252 -11.988 570 H ALA 72 H ALA 72 -8.433 -1.535 -10.632 571 HA ALA 72 HA ALA 72 -10.156 -0.811 -8.477 572 HB1 ALA 72 HB1 ALA 72 -8.091 -0.791 -7.116 573 HB2 ALA 72 HB2 ALA 72 -8.175 -2.225 -8.166 574 HB3 ALA 72 HB3 ALA 72 -7.118 -0.863 -8.604 575 H ARG 73 H ARG 73 -7.828 1.038 -10.397 576 HA ARG 73 HA ARG 73 -7.978 3.397 -8.727 577 HB2 ARG 73 HB2 ARG 73 -7.040 2.995 -11.587 578 HB3 ARG 73 HB3 ARG 73 -6.901 4.512 -10.711 579 HG2 ARG 73 HG2 ARG 73 -5.482 3.369 -9.019 580 HG3 ARG 73 HG3 ARG 73 -5.560 1.891 -10.007 581 HD2 ARG 73 HD2 ARG 73 -3.551 2.957 -10.557 582 HD3 ARG 73 HD3 ARG 73 -4.666 3.272 -11.905 583 HE ARG 73 HE ARG 73 -4.705 5.518 -11.356 584 HH11 ARG 73 HH11 ARG 73 -3.000 3.695 -8.884 585 HH12 ARG 73 HH12 ARG 73 -2.341 5.119 -8.112 586 HH21 ARG 73 HH21 ARG 73 -3.843 7.360 -10.344 587 HH22 ARG 73 HH22 ARG 73 -2.818 7.194 -8.936 588 H SER 74 H SER 74 -9.668 2.241 -11.613 589 HA SER 74 HA SER 74 -11.083 4.744 -12.038 590 HB2 SER 74 HB2 SER 74 -12.288 3.555 -13.739 591 HB3 SER 74 HB3 SER 74 -10.605 3.065 -13.832 592 HG SER 74 HG SER 74 -11.540 1.410 -12.189 593 H GLY 75 H GLY 75 -11.531 1.927 -10.060 594 HA2 GLY 75 HA2 GLY 75 -13.048 1.663 -8.293 595 HA3 GLY 75 HA3 GLY 75 -13.821 3.173 -8.740 596 H GLY 76 H GLY 76 -13.228 0.174 -10.610 597 HA2 GLY 76 HA2 GLY 76 -15.886 0.298 -11.790 598 HA3 GLY 76 HA3 GLY 76 -14.677 -0.944 -12.063 599 HA PRO 77 HA PRO 77 -18.293 -2.552 -9.580 600 HB2 PRO 77 HB2 PRO 77 -17.700 -4.858 -11.469 601 HB3 PRO 77 HB3 PRO 77 -19.264 -4.251 -10.912 602 HG2 PRO 77 HG2 PRO 77 -18.457 -3.600 -13.364 603 HG3 PRO 77 HG3 PRO 77 -19.204 -2.359 -12.354 604 HD2 PRO 77 HD2 PRO 77 -16.254 -2.847 -12.924 605 HD3 PRO 77 HD3 PRO 77 -17.158 -1.282 -12.854 606 H SER 78 H SER 78 -18.021 -3.777 -7.769 607 HA SER 78 HA SER 78 -15.417 -4.782 -7.078 608 HB2 SER 78 HB2 SER 78 -16.939 -3.953 -5.374 609 HB3 SER 78 HB3 SER 78 -18.140 -5.164 -5.797 610 HG SER 78 HG SER 78 -16.678 -6.750 -5.185 611 H PHE 79 H PHE 79 -14.600 -6.814 -6.966 612 HA PHE 79 HA PHE 79 -15.561 -8.758 -8.818 613 HB2 PHE 79 HB3 PHE 79 -13.205 -8.643 -8.129 614 HB3 PHE 79 HB2 PHE 79 -13.636 -9.054 -6.477 615 HD1 PHE 79 HD1 PHE 79 -13.759 -10.359 -9.964 616 HD2 PHE 79 HD2 PHE 79 -13.721 -11.278 -5.792 617 HE1 PHE 79 HE1 PHE 79 -13.504 -12.759 -10.496 618 HE2 PHE 79 HE2 PHE 79 -13.464 -13.679 -6.321 619 HZ PHE 79 HZ PHE 79 -13.357 -14.419 -8.674 620 H GLY 80 H GLY 80 -16.861 -10.477 -8.660 621 HA2 GLY 80 HA2 GLY 80 -17.958 -11.132 -5.946 622 HA3 GLY 80 HA3 GLY 80 -18.972 -11.069 -7.376 623 HA PRO 81 HA PRO 81 -15.958 -14.975 -7.150 624 HB2 PRO 81 HB2 PRO 81 -17.266 -15.693 -4.499 625 HB3 PRO 81 HB3 PRO 81 -15.636 -16.071 -5.072 626 HG2 PRO 81 HG2 PRO 81 -15.927 -14.084 -3.327 627 HG3 PRO 81 HG3 PRO 81 -14.839 -13.857 -4.700 628 HD2 PRO 81 HD2 PRO 81 -17.692 -12.861 -4.327 629 HD3 PRO 81 HD3 PRO 81 -16.260 -11.992 -5.012 Start of MODEL 14 1 HA SER 1 HA SER 1 -5.699 -15.579 -7.513 2 HB2 SER 1 HB2 SER 1 -7.724 -14.657 -6.499 3 HB3 SER 1 HB3 SER 1 -7.413 -16.281 -5.901 4 HG SER 1 HG SER 1 -6.463 -14.007 -4.574 5 H VAL 2 H VAL 2 -3.244 -14.426 -6.656 6 HA VAL 2 HA VAL 2 -4.004 -11.543 -6.456 7 HB VAL 2 HB VAL 2 -1.361 -12.876 -5.727 8 HG11 VAL 2 HG11 VAL 2 -0.791 -10.708 -4.747 9 HG12 VAL 2 HG12 VAL 2 -1.070 -10.594 -6.500 10 HG13 VAL 2 HG13 VAL 2 -2.317 -10.030 -5.362 11 HG21 VAL 2 HG21 VAL 2 -2.028 -12.384 -3.397 12 HG22 VAL 2 HG22 VAL 2 -3.591 -11.762 -3.976 13 HG23 VAL 2 HG23 VAL 2 -3.186 -13.485 -4.178 14 H LYS 3 H LYS 3 -4.116 -10.778 -8.474 15 HA LYS 3 HA LYS 3 -2.485 -11.825 -10.623 16 HB2 LYS 3 HB2 LYS 3 -4.757 -10.915 -11.001 17 HB3 LYS 3 HB3 LYS 3 -4.213 -9.322 -10.495 18 HG2 LYS 3 HG2 LYS 3 -2.695 -9.193 -12.409 19 HG3 LYS 3 HG3 LYS 3 -3.151 -10.831 -12.901 20 HD2 LYS 3 HD2 LYS 3 -5.471 -10.116 -13.250 21 HD3 LYS 3 HD3 LYS 3 -5.079 -8.491 -12.669 22 HE2 LYS 3 HE2 LYS 3 -3.490 -8.202 -14.543 23 HE3 LYS 3 HE3 LYS 3 -3.875 -9.824 -15.123 24 HZ1 LYS 3 HZ1 LYS 3 -5.104 -8.151 -16.298 25 HZ2 LYS 3 HZ2 LYS 3 -6.142 -9.106 -15.444 26 HZ3 LYS 3 HZ3 LYS 3 -5.782 -7.591 -14.903 27 H GLU 4 H GLU 4 -2.644 -8.551 -9.168 28 HA GLU 4 HA GLU 4 0.178 -8.171 -10.067 29 HB2 GLU 4 HB2 GLU 4 -2.007 -6.131 -9.486 30 HB3 GLU 4 HB3 GLU 4 -0.340 -5.716 -9.854 31 HG2 GLU 4 HG2 GLU 4 -0.563 -6.800 -12.060 32 HG3 GLU 4 HG3 GLU 4 -2.241 -7.189 -11.690 33 H THR 5 H THR 5 1.700 -7.270 -8.695 34 HA THR 5 HA THR 5 0.937 -7.357 -5.805 35 HB THR 5 HB THR 5 3.249 -8.144 -5.333 36 HG1 THR 5 HG1 THR 5 4.570 -7.685 -6.944 37 HG21 THR 5 HG21 THR 5 2.983 -10.429 -6.211 38 HG22 THR 5 HG22 THR 5 1.430 -9.791 -5.620 39 HG23 THR 5 HG23 THR 5 1.761 -9.848 -7.366 40 H LYS 6 H LYS 6 1.410 -5.208 -8.070 41 HA LYS 6 HA LYS 6 3.741 -3.749 -7.429 42 HB2 LYS 6 HB2 LYS 6 2.395 -3.354 -9.463 43 HB3 LYS 6 HB3 LYS 6 1.078 -2.723 -8.486 44 HG2 LYS 6 HG2 LYS 6 2.472 -0.840 -7.770 45 HG3 LYS 6 HG3 LYS 6 3.842 -1.491 -8.680 46 HD2 LYS 6 HD2 LYS 6 2.562 -1.274 -10.781 47 HD3 LYS 6 HD3 LYS 6 1.177 -0.645 -9.877 48 HE2 LYS 6 HE2 LYS 6 2.506 1.286 -9.138 49 HE3 LYS 6 HE3 LYS 6 3.928 0.649 -9.970 50 HZ1 LYS 6 HZ1 LYS 6 2.820 2.314 -11.268 51 HZ2 LYS 6 HZ2 LYS 6 2.739 0.859 -12.042 52 HZ3 LYS 6 HZ3 LYS 6 1.412 1.457 -11.266 53 H LEU 7 H LEU 7 0.408 -3.321 -6.211 54 HA LEU 7 HA LEU 7 1.095 -1.060 -4.574 55 HB2 LEU 7 HB2 LEU 7 -1.257 -2.979 -4.444 56 HB3 LEU 7 HB3 LEU 7 -1.134 -1.478 -3.521 57 HG LEU 7 HG LEU 7 -1.320 -1.733 -6.542 58 HD11 LEU 7 HD11 LEU 7 -3.477 -0.610 -6.212 59 HD12 LEU 7 HD12 LEU 7 -3.408 -2.167 -5.353 60 HD13 LEU 7 HD13 LEU 7 -3.224 -0.644 -4.450 61 HD21 LEU 7 HD21 LEU 7 -1.380 0.737 -6.512 62 HD22 LEU 7 HD22 LEU 7 -1.098 0.723 -4.755 63 HD23 LEU 7 HD23 LEU 7 0.161 0.126 -5.862 64 H TYR 8 H TYR 8 1.023 -4.542 -4.043 65 HA TYR 8 HA TYR 8 1.352 -4.397 -1.178 66 HB2 TYR 8 HB2 TYR 8 1.967 -6.606 -3.181 67 HB3 TYR 8 HB3 TYR 8 2.097 -6.799 -1.438 68 HD1 TYR 8 HD1 TYR 8 -0.065 -6.949 -4.273 69 HD2 TYR 8 HD2 TYR 8 -0.008 -6.356 -0.024 70 HE1 TYR 8 HE1 TYR 8 -2.462 -7.540 -4.158 71 HE2 TYR 8 HE2 TYR 8 -2.405 -6.948 0.091 72 HH TYR 8 HH TYR 8 -4.237 -7.782 -2.843 73 H ASP 9 H ASP 9 3.567 -4.446 -3.925 74 HA ASP 9 HA ASP 9 5.957 -4.726 -2.331 75 HB2 ASP 9 HB2 ASP 9 5.455 -3.693 -5.146 76 HB3 ASP 9 HB3 ASP 9 7.063 -3.769 -4.436 77 H LEU 10 H LEU 10 4.059 -1.977 -3.510 78 HA LEU 10 HA LEU 10 5.853 0.081 -2.699 79 HB2 LEU 10 HB2 LEU 10 2.832 -0.005 -2.959 80 HB3 LEU 10 HB3 LEU 10 3.716 1.468 -2.553 81 HG LEU 10 HG LEU 10 4.101 -0.125 -5.112 82 HD11 LEU 10 HD11 LEU 10 2.860 1.709 -6.172 83 HD12 LEU 10 HD12 LEU 10 1.864 0.844 -4.980 84 HD13 LEU 10 HD13 LEU 10 2.561 2.431 -4.575 85 HD21 LEU 10 HD21 LEU 10 5.340 1.895 -5.820 86 HD22 LEU 10 HD22 LEU 10 5.075 2.619 -4.215 87 HD23 LEU 10 HD23 LEU 10 6.082 1.161 -4.378 88 H LEU 11 H LEU 11 3.266 -1.630 -0.956 89 HA LEU 11 HA LEU 11 3.700 -0.097 1.484 90 HB2 LEU 11 HB2 LEU 11 2.155 -2.655 0.939 91 HB3 LEU 11 HB3 LEU 11 2.162 -1.802 2.485 92 HG LEU 11 HG LEU 11 1.073 -0.742 -0.144 93 HD11 LEU 11 HD11 LEU 11 -1.089 -0.909 1.006 94 HD12 LEU 11 HD12 LEU 11 -0.295 -2.494 0.865 95 HD13 LEU 11 HD13 LEU 11 -0.280 -1.628 2.419 96 HD21 LEU 11 HD21 LEU 11 0.307 1.166 1.229 97 HD22 LEU 11 HD22 LEU 11 1.136 0.477 2.647 98 HD23 LEU 11 HD23 LEU 11 2.082 1.035 1.247 99 H GLY 12 H GLY 12 4.883 -3.080 0.084 100 HA2 GLY 12 HA2 GLY 12 6.790 -4.288 0.729 101 HA3 GLY 12 HA3 GLY 12 6.959 -3.260 2.139 102 H VAL 13 H VAL 13 4.154 -5.202 1.070 103 HA VAL 13 HA VAL 13 4.475 -6.956 3.436 104 HB VAL 13 HB VAL 13 3.102 -5.029 4.199 105 HG11 VAL 13 HG11 VAL 13 0.885 -4.641 3.238 106 HG12 VAL 13 HG12 VAL 13 2.183 -4.351 2.055 107 HG13 VAL 13 HG13 VAL 13 1.221 -5.847 1.975 108 HG21 VAL 13 HG21 VAL 13 1.174 -6.350 5.012 109 HG22 VAL 13 HG22 VAL 13 1.528 -7.608 3.804 110 HG23 VAL 13 HG23 VAL 13 2.685 -7.285 5.118 111 H SER 14 H SER 14 3.657 -8.974 3.184 112 HA SER 14 HA SER 14 3.163 -9.888 0.520 113 HB2 SER 14 HB2 SER 14 4.119 -11.361 2.185 114 HB3 SER 14 HB3 SER 14 2.714 -11.188 3.224 115 HG SER 14 HG SER 14 2.022 -12.828 2.219 116 HA PRO 15 HA PRO 15 -1.128 -9.175 0.128 117 HB2 PRO 15 HB2 PRO 15 -1.719 -10.974 -1.866 118 HB3 PRO 15 HB3 PRO 15 -0.804 -9.491 -2.169 119 HG2 PRO 15 HG2 PRO 15 0.238 -12.315 -1.681 120 HG3 PRO 15 HG3 PRO 15 0.701 -11.184 -2.956 121 HD2 PRO 15 HD2 PRO 15 2.199 -11.448 -0.703 122 HD3 PRO 15 HD3 PRO 15 1.994 -9.841 -1.508 123 H SER 16 H SER 16 0.299 -12.138 1.132 124 HA SER 16 HA SER 16 -2.177 -13.536 1.747 125 HB2 SER 16 HB2 SER 16 -0.772 -15.099 2.926 126 HB3 SER 16 HB3 SER 16 0.011 -14.680 1.410 127 HG SER 16 HG SER 16 0.610 -13.882 4.014 128 H ALA 17 H ALA 17 -0.579 -10.862 3.071 129 HA ALA 17 HA ALA 17 -1.243 -11.302 5.848 130 HB1 ALA 17 HB1 ALA 17 -0.710 -8.900 6.109 131 HB2 ALA 17 HB2 ALA 17 0.544 -9.756 5.182 132 HB3 ALA 17 HB3 ALA 17 -0.639 -8.731 4.340 133 H ASN 18 H ASN 18 -2.849 -10.348 7.106 134 HA ASN 18 HA ASN 18 -5.391 -10.039 5.667 135 HB2 ASN 18 HB2 ASN 18 -6.423 -10.096 7.840 136 HB3 ASN 18 HB3 ASN 18 -5.211 -11.369 7.767 137 HD21 ASN 18 HD21 ASN 18 -4.060 -10.264 10.847 138 HD22 ASN 18 HD22 ASN 18 -4.772 -11.532 9.905 139 H GLU 19 H GLU 19 -6.874 -8.305 7.018 140 HA GLU 19 HA GLU 19 -6.167 -5.954 5.585 141 HB2 GLU 19 HB2 GLU 19 -8.214 -6.431 7.784 142 HB3 GLU 19 HB3 GLU 19 -8.079 -4.914 6.908 143 HG2 GLU 19 HG2 GLU 19 -8.610 -6.017 4.815 144 HG3 GLU 19 HG3 GLU 19 -8.608 -7.592 5.605 145 H GLN 20 H GLN 20 -5.963 -6.740 9.054 146 HA GLN 20 HA GLN 20 -5.086 -4.115 9.839 147 HB2 GLN 20 HB2 GLN 20 -4.869 -6.829 11.195 148 HB3 GLN 20 HB3 GLN 20 -4.351 -5.328 11.950 149 HG2 GLN 20 HG2 GLN 20 -6.619 -4.447 11.836 150 HG3 GLN 20 HG3 GLN 20 -7.161 -5.931 11.004 151 HE21 GLN 20 HE21 GLN 20 -7.949 -6.106 14.667 152 HE22 GLN 20 HE22 GLN 20 -8.289 -4.961 13.411 153 H GLU 21 H GLU 21 -3.397 -7.102 8.946 154 HA GLU 21 HA GLU 21 -0.774 -6.138 9.623 155 HB2 GLU 21 HB2 GLU 21 -1.735 -8.339 7.758 156 HB3 GLU 21 HB3 GLU 21 -0.033 -8.012 8.054 157 HG2 GLU 21 HG2 GLU 21 -0.264 -8.552 10.389 158 HG3 GLU 21 HG3 GLU 21 -2.015 -8.678 10.238 159 H LEU 22 H LEU 22 -2.734 -6.050 6.670 160 HA LEU 22 HA LEU 22 -0.748 -4.896 4.976 161 HB2 LEU 22 HB2 LEU 22 -3.777 -4.703 4.974 162 HB3 LEU 22 HB3 LEU 22 -2.760 -4.024 3.699 163 HG LEU 22 HG LEU 22 -2.858 -6.970 4.437 164 HD11 LEU 22 HD11 LEU 22 -4.157 -7.216 2.368 165 HD12 LEU 22 HD12 LEU 22 -4.999 -6.193 3.557 166 HD13 LEU 22 HD13 LEU 22 -4.172 -5.448 2.168 167 HD21 LEU 22 HD21 LEU 22 -1.648 -7.228 2.297 168 HD22 LEU 22 HD22 LEU 22 -1.627 -5.459 2.094 169 HD23 LEU 22 HD23 LEU 22 -0.728 -6.213 3.434 170 H LYS 23 H LYS 23 -3.140 -3.457 7.182 171 HA LYS 23 HA LYS 23 -2.516 -0.731 6.630 172 HB2 LYS 23 HB2 LYS 23 -4.499 -1.444 7.929 173 HB3 LYS 23 HB3 LYS 23 -3.458 -2.010 9.227 174 HG2 LYS 23 HG2 LYS 23 -2.691 0.270 9.658 175 HG3 LYS 23 HG3 LYS 23 -3.646 0.869 8.295 176 HD2 LYS 23 HD2 LYS 23 -5.719 0.106 9.399 177 HD3 LYS 23 HD3 LYS 23 -4.769 -0.514 10.759 178 HE2 LYS 23 HE2 LYS 23 -3.943 1.772 11.222 179 HE3 LYS 23 HE3 LYS 23 -4.893 2.391 9.869 180 HZ1 LYS 23 HZ1 LYS 23 -6.021 2.693 11.950 181 HZ2 LYS 23 HZ2 LYS 23 -6.877 1.653 10.999 182 HZ3 LYS 23 HZ3 LYS 23 -5.990 1.075 12.263 183 H LYS 24 H LYS 24 -1.137 -3.033 8.975 184 HA LYS 24 HA LYS 24 0.701 -1.237 10.183 185 HB2 LYS 24 HB2 LYS 24 0.812 -4.240 9.732 186 HB3 LYS 24 HB3 LYS 24 2.031 -3.369 10.650 187 HG2 LYS 24 HG2 LYS 24 0.329 -2.635 12.260 188 HG3 LYS 24 HG3 LYS 24 -0.925 -3.462 11.323 189 HD2 LYS 24 HD2 LYS 24 0.243 -5.623 11.686 190 HD3 LYS 24 HD3 LYS 24 1.474 -4.788 12.644 191 HE2 LYS 24 HE2 LYS 24 -0.265 -4.067 14.250 192 HE3 LYS 24 HE3 LYS 24 -1.496 -4.897 13.294 193 HZ1 LYS 24 HZ1 LYS 24 -0.765 -6.225 15.135 194 HZ2 LYS 24 HZ2 LYS 24 -0.350 -6.962 13.718 195 HZ3 LYS 24 HZ3 LYS 24 0.798 -6.187 14.612 196 H GLY 25 H GLY 25 0.968 -3.228 7.253 197 HA2 GLY 25 HA2 GLY 25 3.657 -2.660 6.578 198 HA3 GLY 25 HA3 GLY 25 2.381 -3.009 5.427 199 H TYR 26 H TYR 26 0.648 -0.890 5.766 200 HA TYR 26 HA TYR 26 1.888 1.227 4.327 201 HB2 TYR 26 HB2 TYR 26 -0.512 0.900 4.207 202 HB3 TYR 26 HB3 TYR 26 -0.688 1.129 5.941 203 HD1 TYR 26 HD1 TYR 26 0.803 2.980 3.033 204 HD2 TYR 26 HD2 TYR 26 -1.541 3.143 6.622 205 HE1 TYR 26 HE1 TYR 26 0.424 5.397 2.676 206 HE2 TYR 26 HE2 TYR 26 -1.922 5.559 6.265 207 HH TYR 26 HH TYR 26 -0.746 7.195 3.355 208 H ARG 27 H ARG 27 1.094 0.916 7.789 209 HA ARG 27 HA ARG 27 1.843 3.523 8.571 210 HB2 ARG 27 HB2 ARG 27 1.951 0.887 10.068 211 HB3 ARG 27 HB3 ARG 27 2.294 2.436 10.825 212 HG2 ARG 27 HG2 ARG 27 0.035 3.211 10.358 213 HG3 ARG 27 HG3 ARG 27 -0.324 1.696 9.493 214 HD2 ARG 27 HD2 ARG 27 -1.228 1.558 11.683 215 HD3 ARG 27 HD3 ARG 27 0.174 0.467 11.584 216 HE ARG 27 HE ARG 27 0.907 3.064 12.569 217 HH11 ARG 27 HH11 ARG 27 -0.568 0.012 13.488 218 HH12 ARG 27 HH12 ARG 27 -0.135 0.166 15.176 219 HH21 ARG 27 HH21 ARG 27 1.463 3.254 14.763 220 HH22 ARG 27 HH22 ARG 27 1.015 2.002 15.899 221 H LYS 28 H LYS 28 3.797 0.559 8.261 222 HA LYS 28 HA LYS 28 6.238 1.737 9.202 223 HB2 LYS 28 HB2 LYS 28 5.682 -0.654 7.411 224 HB3 LYS 28 HB3 LYS 28 7.299 -0.202 7.930 225 HG2 LYS 28 HG2 LYS 28 6.658 -0.517 10.280 226 HG3 LYS 28 HG3 LYS 28 5.011 -0.930 9.782 227 HD2 LYS 28 HD2 LYS 28 5.892 -2.856 8.488 228 HD3 LYS 28 HD3 LYS 28 7.532 -2.449 9.017 229 HE2 LYS 28 HE2 LYS 28 6.869 -2.791 11.370 230 HE3 LYS 28 HE3 LYS 28 5.222 -3.172 10.858 231 HZ1 LYS 28 HZ1 LYS 28 6.503 -5.145 11.251 232 HZ2 LYS 28 HZ2 LYS 28 6.092 -5.056 9.656 233 HZ3 LYS 28 HZ3 LYS 28 7.632 -4.702 10.134 234 H ALA 29 H ALA 29 4.891 1.283 5.932 235 HA ALA 29 HA ALA 29 7.108 2.489 4.580 236 HB1 ALA 29 HB1 ALA 29 5.556 2.667 2.662 237 HB2 ALA 29 HB2 ALA 29 5.484 1.059 3.422 238 HB3 ALA 29 HB3 ALA 29 4.198 2.247 3.731 239 H ALA 30 H ALA 30 4.150 3.789 6.006 240 HA ALA 30 HA ALA 30 4.367 6.410 4.904 241 HB1 ALA 30 HB1 ALA 30 2.864 7.077 6.752 242 HB2 ALA 30 HB2 ALA 30 2.309 5.585 5.956 243 HB3 ALA 30 HB3 ALA 30 3.134 5.501 7.530 244 H LEU 31 H LEU 31 5.651 4.973 7.894 245 HA LEU 31 HA LEU 31 6.958 7.351 8.816 246 HB2 LEU 31 HB2 LEU 31 7.526 4.404 9.264 247 HB3 LEU 31 HB3 LEU 31 8.418 5.696 10.072 248 HG LEU 31 HG LEU 31 5.420 5.262 10.320 249 HD11 LEU 31 HD11 LEU 31 5.953 4.373 12.544 250 HD12 LEU 31 HD12 LEU 31 6.673 3.384 11.250 251 HD13 LEU 31 HD13 LEU 31 7.690 4.509 12.182 252 HD21 LEU 31 HD21 LEU 31 5.661 6.842 12.206 253 HD22 LEU 31 HD22 LEU 31 7.395 7.015 11.839 254 HD23 LEU 31 HD23 LEU 31 6.178 7.589 10.674 255 H LYS 32 H LYS 32 7.970 4.695 6.681 256 HA LYS 32 HA LYS 32 10.693 5.413 6.417 257 HB2 LYS 32 HB2 LYS 32 9.736 3.289 5.575 258 HB3 LYS 32 HB3 LYS 32 8.842 4.172 4.344 259 HG2 LYS 32 HG2 LYS 32 10.936 4.884 3.290 260 HG3 LYS 32 HG3 LYS 32 11.865 4.070 4.557 261 HD2 LYS 32 HD2 LYS 32 10.878 1.901 3.892 262 HD3 LYS 32 HD3 LYS 32 9.942 2.714 2.628 263 HE2 LYS 32 HE2 LYS 32 12.038 3.448 1.544 264 HE3 LYS 32 HE3 LYS 32 12.979 2.653 2.808 265 HZ1 LYS 32 HZ1 LYS 32 12.798 1.293 0.857 266 HZ2 LYS 32 HZ2 LYS 32 12.028 0.560 2.119 267 HZ3 LYS 32 HZ3 LYS 32 11.151 1.304 0.937 268 H TYR 33 H TYR 33 7.837 6.534 4.614 269 HA TYR 33 HA TYR 33 9.604 8.495 3.221 270 HB2 TYR 33 HB2 TYR 33 6.825 7.503 2.463 271 HB3 TYR 33 HB3 TYR 33 7.775 8.670 1.553 272 HD1 TYR 33 HD1 TYR 33 6.863 5.312 1.774 273 HD2 TYR 33 HD2 TYR 33 10.249 7.817 0.960 274 HE1 TYR 33 HE1 TYR 33 7.923 3.469 0.516 275 HE2 TYR 33 HE2 TYR 33 11.311 5.973 -0.299 276 HH TYR 33 HH TYR 33 11.058 3.918 -1.114 277 H HIS 34 H HIS 34 8.473 8.690 5.977 278 HA HIS 34 HA HIS 34 6.254 10.521 5.956 279 HB2 HIS 34 HB2 HIS 34 7.148 9.086 7.910 280 HB3 HIS 34 HB3 HIS 34 8.349 10.350 8.134 281 HD2 HIS 34 HD2 HIS 34 4.761 9.580 9.156 282 HE1 HIS 34 HE1 HIS 34 5.388 13.723 9.932 283 HE2 HIS 34 HE2 HIS 34 3.846 11.726 10.307 284 HA PRO 35 HA PRO 35 8.030 14.089 4.361 285 HB2 PRO 35 HB2 PRO 35 6.110 15.417 6.328 286 HB3 PRO 35 HB3 PRO 35 6.403 15.816 4.631 287 HG2 PRO 35 HG2 PRO 35 4.243 14.387 5.222 288 HG3 PRO 35 HG3 PRO 35 5.220 13.909 3.831 289 HD2 PRO 35 HD2 PRO 35 5.128 12.704 6.615 290 HD3 PRO 35 HD3 PRO 35 5.285 11.875 5.015 291 H ASP 36 H ASP 36 7.667 13.641 7.856 292 HA ASP 36 HA ASP 36 9.459 15.928 8.422 293 HB2 ASP 36 HB2 ASP 36 7.815 14.117 10.233 294 HB3 ASP 36 HB3 ASP 36 8.868 15.394 10.824 295 H LYS 37 H LYS 37 10.043 12.951 7.437 296 HA LYS 37 HA LYS 37 12.298 12.535 9.351 297 HB2 LYS 37 HB2 LYS 37 11.012 10.589 7.394 298 HB3 LYS 37 HB3 LYS 37 12.401 10.226 8.409 299 HG2 LYS 37 HG2 LYS 37 9.660 10.995 9.455 300 HG3 LYS 37 HG3 LYS 37 10.264 9.340 9.295 301 HD2 LYS 37 HD2 LYS 37 12.162 9.924 10.815 302 HD3 LYS 37 HD3 LYS 37 11.458 11.533 11.028 303 HE2 LYS 37 HE2 LYS 37 9.382 10.480 11.913 304 HE3 LYS 37 HE3 LYS 37 10.138 8.893 11.756 305 HZ1 LYS 37 HZ1 LYS 37 10.327 9.744 13.976 306 HZ2 LYS 37 HZ2 LYS 37 11.827 9.609 13.302 307 HZ3 LYS 37 HZ3 LYS 37 11.120 11.091 13.451 308 HA PRO 38 HA PRO 38 15.354 13.670 6.545 309 HB2 PRO 38 HB2 PRO 38 16.606 10.943 7.052 310 HB3 PRO 38 HB3 PRO 38 17.362 12.541 7.115 311 HG2 PRO 38 HG2 PRO 38 16.716 11.367 9.412 312 HG3 PRO 38 HG3 PRO 38 16.366 13.085 9.209 313 HD2 PRO 38 HD2 PRO 38 14.485 10.704 8.975 314 HD3 PRO 38 HD3 PRO 38 14.201 12.312 9.757 315 H THR 39 H THR 39 13.946 10.436 6.245 316 HA THR 39 HA THR 39 14.777 10.295 3.393 317 HB THR 39 HB THR 39 14.020 7.924 3.515 318 HG1 THR 39 HG1 THR 39 12.532 7.751 5.064 319 HG21 THR 39 HG21 THR 39 15.790 7.124 5.030 320 HG22 THR 39 HG22 THR 39 16.362 8.500 4.056 321 HG23 THR 39 HG23 THR 39 15.905 8.744 5.757 322 H GLY 40 H GLY 40 12.559 11.982 4.637 323 HA2 GLY 40 HA2 GLY 40 10.020 10.934 3.901 324 HA3 GLY 40 HA3 GLY 40 10.409 12.636 4.067 325 H ASP 41 H ASP 41 8.804 11.037 2.051 326 HA ASP 41 HA ASP 41 9.832 12.431 -0.320 327 HB2 ASP 41 HB2 ASP 41 11.049 10.251 -0.358 328 HB3 ASP 41 HB3 ASP 41 9.509 9.401 -0.333 329 H THR 42 H THR 42 8.056 13.542 -0.795 330 HA THR 42 HA THR 42 5.445 12.759 0.002 331 HB THR 42 HB THR 42 6.299 14.767 -2.127 332 HG1 THR 42 HG1 THR 42 5.680 16.171 -0.233 333 HG21 THR 42 HG21 THR 42 4.062 15.745 -1.790 334 HG22 THR 42 HG22 THR 42 3.943 14.075 -2.395 335 HG23 THR 42 HG23 THR 42 3.648 14.421 -0.676 336 H GLU 43 H GLU 43 7.113 12.492 -3.128 337 HA GLU 43 HA GLU 43 4.899 11.606 -4.652 338 HB2 GLU 43 HB2 GLU 43 7.057 12.296 -5.642 339 HB3 GLU 43 HB3 GLU 43 7.845 10.885 -4.949 340 HG2 GLU 43 HG2 GLU 43 6.471 9.407 -6.325 341 HG3 GLU 43 HG3 GLU 43 5.607 10.794 -6.984 342 H LYS 44 H LYS 44 7.379 9.686 -2.925 343 HA LYS 44 HA LYS 44 6.129 7.167 -3.573 344 HB2 LYS 44 HB2 LYS 44 8.145 7.891 -1.408 345 HB3 LYS 44 HB3 LYS 44 7.680 6.250 -1.837 346 HG2 LYS 44 HG2 LYS 44 9.073 8.245 -3.648 347 HG3 LYS 44 HG3 LYS 44 9.804 6.840 -2.859 348 HD2 LYS 44 HD2 LYS 44 7.464 6.613 -4.780 349 HD3 LYS 44 HD3 LYS 44 9.152 6.548 -5.309 350 HE2 LYS 44 HE2 LYS 44 9.527 4.638 -3.735 351 HE3 LYS 44 HE3 LYS 44 7.810 4.671 -3.329 352 HZ1 LYS 44 HZ1 LYS 44 8.287 3.044 -5.007 353 HZ2 LYS 44 HZ2 LYS 44 7.314 4.220 -5.633 354 HZ3 LYS 44 HZ3 LYS 44 8.919 4.189 -6.013 355 H PHE 45 H PHE 45 5.842 9.457 -0.916 356 HA PHE 45 HA PHE 45 4.367 7.789 0.867 357 HB2 PHE 45 HB3 PHE 45 5.384 10.067 1.373 358 HB3 PHE 45 HB2 PHE 45 4.039 10.792 0.507 359 HD1 PHE 45 HD1 PHE 45 1.852 10.911 1.469 360 HD2 PHE 45 HD2 PHE 45 5.002 8.850 3.487 361 HE1 PHE 45 HE1 PHE 45 0.489 10.853 3.531 362 HE2 PHE 45 HE2 PHE 45 3.641 8.786 5.550 363 HZ PHE 45 HZ PHE 45 1.385 9.789 5.573 364 H LYS 46 H LYS 46 3.356 9.881 -1.825 365 HA LYS 46 HA LYS 46 0.537 9.460 -1.459 366 HB2 LYS 46 HB2 LYS 46 2.207 10.291 -3.857 367 HB3 LYS 46 HB3 LYS 46 0.455 10.149 -3.931 368 HG2 LYS 46 HG2 LYS 46 0.238 11.847 -2.155 369 HG3 LYS 46 HG3 LYS 46 2.000 11.989 -2.077 370 HD2 LYS 46 HD2 LYS 46 2.078 12.749 -4.401 371 HD3 LYS 46 HD3 LYS 46 0.333 12.513 -4.565 372 HE2 LYS 46 HE2 LYS 46 -0.073 14.221 -2.835 373 HE3 LYS 46 HE3 LYS 46 1.666 14.445 -2.633 374 HZ1 LYS 46 HZ1 LYS 46 0.723 16.108 -4.059 375 HZ2 LYS 46 HZ2 LYS 46 1.779 15.173 -4.916 376 HZ3 LYS 46 HZ3 LYS 46 0.154 14.965 -5.105 377 H GLU 47 H GLU 47 3.043 7.734 -3.271 378 HA GLU 47 HA GLU 47 1.304 6.036 -4.752 379 HB2 GLU 47 HB2 GLU 47 4.166 5.687 -3.789 380 HB3 GLU 47 HB3 GLU 47 3.354 4.494 -4.793 381 HG2 GLU 47 HG2 GLU 47 3.021 6.197 -6.545 382 HG3 GLU 47 HG3 GLU 47 3.847 7.385 -5.539 383 H ILE 48 H ILE 48 2.857 5.609 -1.570 384 HA ILE 48 HA ILE 48 1.736 2.960 -1.199 385 HB ILE 48 HB ILE 48 2.604 3.156 1.111 386 HG12 ILE 48 HG12 ILE 48 3.365 5.997 0.401 387 HG13 ILE 48 HG13 ILE 48 1.968 5.565 1.376 388 HG21 ILE 48 HG21 ILE 48 4.979 3.491 0.554 389 HG22 ILE 48 HG22 ILE 48 4.156 2.540 -0.703 390 HG23 ILE 48 HG23 ILE 48 4.515 4.258 -0.983 391 HD11 ILE 48 HD11 ILE 48 3.851 6.210 2.775 392 HD12 ILE 48 HD12 ILE 48 3.437 4.497 3.030 393 HD13 ILE 48 HD13 ILE 48 4.853 4.935 2.043 394 H SER 49 H SER 49 0.698 6.226 -0.544 395 HA SER 49 HA SER 49 -1.392 5.536 1.325 396 HB2 SER 49 HB2 SER 49 -0.999 7.917 -0.513 397 HB3 SER 49 HB3 SER 49 -2.305 7.792 0.654 398 HG SER 49 HG SER 49 0.448 7.966 1.058 399 H GLU 50 H GLU 50 -1.285 6.002 -2.212 400 HA GLU 50 HA GLU 50 -4.011 5.323 -2.707 401 HB2 GLU 50 HB2 GLU 50 -2.507 6.311 -4.413 402 HB3 GLU 50 HB3 GLU 50 -1.552 4.835 -4.435 403 HG2 GLU 50 HG2 GLU 50 -3.505 3.582 -5.258 404 HG3 GLU 50 HG3 GLU 50 -4.461 5.061 -5.237 405 H ALA 51 H ALA 51 -1.069 3.297 -2.597 406 HA ALA 51 HA ALA 51 -2.281 0.821 -3.136 407 HB1 ALA 51 HB1 ALA 51 -0.384 -0.177 -1.898 408 HB2 ALA 51 HB2 ALA 51 0.152 1.124 -2.987 409 HB3 ALA 51 HB3 ALA 51 0.018 1.426 -1.239 410 H PHE 52 H PHE 52 -1.876 2.475 -0.000 411 HA PHE 52 HA PHE 52 -3.101 0.471 1.595 412 HB2 PHE 52 HB3 PHE 52 -1.859 2.294 2.613 413 HB3 PHE 52 HB2 PHE 52 -2.958 3.489 1.942 414 HD1 PHE 52 HD1 PHE 52 -2.998 0.472 4.151 415 HD2 PHE 52 HD2 PHE 52 -4.663 4.304 3.260 416 HE1 PHE 52 HE1 PHE 52 -4.385 0.341 6.193 417 HE2 PHE 52 HE2 PHE 52 -6.050 4.178 5.303 418 HZ PHE 52 HZ PHE 52 -5.912 2.195 6.769 419 H GLU 53 H GLU 53 -4.529 3.426 0.154 420 HA GLU 53 HA GLU 53 -7.141 3.087 1.104 421 HB2 GLU 53 HB2 GLU 53 -6.532 5.136 0.006 422 HB3 GLU 53 HB3 GLU 53 -6.101 4.299 -1.479 423 HG2 GLU 53 HG2 GLU 53 -8.185 5.412 -1.810 424 HG3 GLU 53 HG3 GLU 53 -8.483 3.674 -1.787 425 H ILE 54 H ILE 54 -5.717 1.838 -1.926 426 HA ILE 54 HA ILE 54 -8.138 0.591 -2.825 427 HB ILE 54 HB ILE 54 -5.215 0.142 -3.539 428 HG12 ILE 54 HG12 ILE 54 -7.451 1.397 -5.142 429 HG13 ILE 54 HG13 ILE 54 -6.349 2.314 -4.128 430 HG21 ILE 54 HG21 ILE 54 -6.036 -1.186 -5.443 431 HG22 ILE 54 HG22 ILE 54 -6.469 -1.951 -3.897 432 HG23 ILE 54 HG23 ILE 54 -7.698 -1.057 -4.821 433 HD11 ILE 54 HD11 ILE 54 -5.641 2.357 -6.453 434 HD12 ILE 54 HD12 ILE 54 -4.440 1.509 -5.449 435 HD13 ILE 54 HD13 ILE 54 -5.557 0.581 -6.478 436 H LEU 55 H LEU 55 -5.355 -0.579 -0.948 437 HA LEU 55 HA LEU 55 -6.415 -3.322 -0.991 438 HB2 LEU 55 HB2 LEU 55 -3.959 -2.133 0.346 439 HB3 LEU 55 HB3 LEU 55 -4.362 -3.852 0.308 440 HG LEU 55 HG LEU 55 -3.724 -2.134 -2.118 441 HD11 LEU 55 HD11 LEU 55 -1.648 -3.442 -2.180 442 HD12 LEU 55 HD12 LEU 55 -1.789 -2.502 -0.675 443 HD13 LEU 55 HD13 LEU 55 -2.113 -4.251 -0.665 444 HD21 LEU 55 HD21 LEU 55 -3.721 -4.301 -3.306 445 HD22 LEU 55 HD22 LEU 55 -4.215 -5.124 -1.806 446 HD23 LEU 55 HD23 LEU 55 -5.317 -3.965 -2.591 447 H ASN 56 H ASN 56 -6.863 -0.551 0.867 448 HA ASN 56 HA ASN 56 -7.431 -1.965 3.373 449 HB2 ASN 56 HB2 ASN 56 -6.654 0.399 3.334 450 HB3 ASN 56 HB3 ASN 56 -8.140 0.858 2.512 451 HD21 ASN 56 HD21 ASN 56 -9.814 1.352 5.482 452 HD22 ASN 56 HD22 ASN 56 -9.535 1.775 3.825 453 H ASP 57 H ASP 57 -9.448 -0.159 1.023 454 HA ASP 57 HA ASP 57 -11.918 -1.245 1.967 455 HB2 ASP 57 HB2 ASP 57 -11.723 0.793 0.537 456 HB3 ASP 57 HB3 ASP 57 -11.227 -0.216 -0.815 457 HA PRO 58 HA PRO 58 -11.255 -5.423 0.755 458 HB2 PRO 58 HB2 PRO 58 -14.289 -5.348 1.084 459 HB3 PRO 58 HB3 PRO 58 -13.147 -6.580 1.637 460 HG2 PRO 58 HG2 PRO 58 -14.044 -4.823 3.414 461 HG3 PRO 58 HG3 PRO 58 -12.324 -5.221 3.414 462 HD2 PRO 58 HD2 PRO 58 -13.731 -2.779 2.281 463 HD3 PRO 58 HD3 PRO 58 -12.152 -2.884 3.159 464 H GLN 59 H GLN 59 -13.824 -3.332 -0.566 465 HA GLN 59 HA GLN 59 -14.382 -4.931 -2.882 466 HB2 GLN 59 HB2 GLN 59 -15.909 -3.167 -2.004 467 HB3 GLN 59 HB3 GLN 59 -14.746 -1.935 -2.473 468 HG2 GLN 59 HG2 GLN 59 -16.474 -2.030 -4.118 469 HG3 GLN 59 HG3 GLN 59 -14.978 -2.682 -4.842 470 HE21 GLN 59 HE21 GLN 59 -16.660 -5.496 -5.951 471 HE22 GLN 59 HE22 GLN 59 -15.536 -4.211 -6.250 472 H LYS 60 H LYS 60 -12.408 -1.971 -2.474 473 HA LYS 60 HA LYS 60 -11.456 -1.952 -5.171 474 HB2 LYS 60 HB2 LYS 60 -10.315 -0.748 -2.621 475 HB3 LYS 60 HB3 LYS 60 -9.643 -0.454 -4.218 476 HG2 LYS 60 HG2 LYS 60 -11.766 0.558 -4.943 477 HG3 LYS 60 HG3 LYS 60 -12.463 0.242 -3.348 478 HD2 LYS 60 HD2 LYS 60 -10.664 1.649 -2.324 479 HD3 LYS 60 HD3 LYS 60 -10.075 2.025 -3.951 480 HE2 LYS 60 HE2 LYS 60 -12.301 2.993 -4.507 481 HE3 LYS 60 HE3 LYS 60 -12.841 2.665 -2.858 482 HZ1 LYS 60 HZ1 LYS 60 -12.103 4.919 -3.112 483 HZ2 LYS 60 HZ2 LYS 60 -11.109 4.123 -2.064 484 HZ3 LYS 60 HZ3 LYS 60 -10.607 4.431 -3.604 485 H ARG 61 H ARG 61 -10.233 -3.455 -2.209 486 HA ARG 61 HA ARG 61 -7.698 -4.255 -3.200 487 HB2 ARG 61 HB2 ARG 61 -8.315 -4.382 -0.825 488 HB3 ARG 61 HB3 ARG 61 -9.502 -5.630 -1.177 489 HG2 ARG 61 HG2 ARG 61 -7.628 -7.092 -1.985 490 HG3 ARG 61 HG3 ARG 61 -6.494 -5.848 -1.403 491 HD2 ARG 61 HD2 ARG 61 -6.858 -7.685 0.188 492 HD3 ARG 61 HD3 ARG 61 -7.305 -6.088 0.831 493 HE ARG 61 HE ARG 61 -9.440 -6.837 1.084 494 HH11 ARG 61 HH11 ARG 61 -7.837 -8.871 -1.291 495 HH12 ARG 61 HH12 ARG 61 -9.186 -9.975 -1.439 496 HH21 ARG 61 HH21 ARG 61 -11.184 -8.279 0.883 497 HH22 ARG 61 HH22 ARG 61 -11.079 -9.642 -0.208 498 H GLU 62 H GLU 62 -10.834 -5.973 -3.193 499 HA GLU 62 HA GLU 62 -9.877 -8.325 -4.493 500 HB2 GLU 62 HB2 GLU 62 -12.625 -7.056 -4.271 501 HB3 GLU 62 HB3 GLU 62 -12.365 -8.554 -5.154 502 HG2 GLU 62 HG2 GLU 62 -11.648 -8.151 -2.243 503 HG3 GLU 62 HG3 GLU 62 -13.166 -8.839 -2.813 504 H ILE 63 H ILE 63 -11.230 -5.289 -5.751 505 HA ILE 63 HA ILE 63 -11.316 -6.042 -8.491 506 HB ILE 63 HB ILE 63 -10.935 -3.341 -7.146 507 HG12 ILE 63 HG12 ILE 63 -13.327 -4.470 -8.606 508 HG13 ILE 63 HG13 ILE 63 -13.095 -4.617 -6.871 509 HG21 ILE 63 HG21 ILE 63 -11.418 -2.341 -9.342 510 HG22 ILE 63 HG22 ILE 63 -9.911 -3.282 -9.387 511 HG23 ILE 63 HG23 ILE 63 -11.400 -3.958 -10.085 512 HD11 ILE 63 HD11 ILE 63 -14.558 -2.751 -7.406 513 HD12 ILE 63 HD12 ILE 63 -13.051 -2.169 -6.658 514 HD13 ILE 63 HD13 ILE 63 -13.288 -2.022 -8.416 515 H TYR 64 H TYR 64 -8.719 -4.551 -6.551 516 HA TYR 64 HA TYR 64 -6.811 -4.390 -8.669 517 HB2 TYR 64 HB2 TYR 64 -6.486 -3.181 -6.573 518 HB3 TYR 64 HB3 TYR 64 -6.438 -4.684 -5.664 519 HD1 TYR 64 HD1 TYR 64 -4.681 -2.908 -8.448 520 HD2 TYR 64 HD2 TYR 64 -4.407 -5.689 -5.192 521 HE1 TYR 64 HE1 TYR 64 -2.229 -3.008 -8.741 522 HE2 TYR 64 HE2 TYR 64 -1.956 -5.791 -5.486 523 HH TYR 64 HH TYR 64 -0.343 -4.048 -8.119 524 H ASP 65 H ASP 65 -7.371 -6.920 -6.208 525 HA ASP 65 HA ASP 65 -5.183 -8.557 -7.015 526 HB2 ASP 65 HB2 ASP 65 -7.779 -9.212 -5.572 527 HB3 ASP 65 HB3 ASP 65 -6.505 -10.395 -5.834 528 H GLN 66 H GLN 66 -8.507 -8.311 -8.167 529 HA GLN 66 HA GLN 66 -8.271 -10.826 -9.680 530 HB2 GLN 66 HB2 GLN 66 -10.518 -8.796 -9.382 531 HB3 GLN 66 HB3 GLN 66 -10.628 -10.217 -10.411 532 HG2 GLN 66 HG2 GLN 66 -10.335 -11.678 -8.480 533 HG3 GLN 66 HG3 GLN 66 -10.166 -10.249 -7.421 534 HE21 GLN 66 HE21 GLN 66 -13.569 -10.568 -6.726 535 HE22 GLN 66 HE22 GLN 66 -11.940 -10.633 -6.140 536 H TYR 67 H TYR 67 -8.246 -7.340 -10.268 537 HA TYR 67 HA TYR 67 -8.230 -7.912 -13.203 538 HB2 TYR 67 HB2 TYR 67 -9.415 -5.503 -11.765 539 HB3 TYR 67 HB3 TYR 67 -9.390 -5.748 -13.507 540 HD1 TYR 67 HD1 TYR 67 -10.505 -7.969 -14.364 541 HD2 TYR 67 HD2 TYR 67 -11.262 -6.165 -10.546 542 HE1 TYR 67 HE1 TYR 67 -12.664 -9.166 -14.227 543 HE2 TYR 67 HE2 TYR 67 -13.420 -7.361 -10.409 544 HH TYR 67 HH TYR 67 -14.453 -9.595 -12.976 545 H GLY 68 H GLY 68 -7.209 -5.555 -10.716 546 HA2 GLY 68 HA2 GLY 68 -4.641 -5.420 -10.734 547 HA3 GLY 68 HA3 GLY 68 -4.814 -4.988 -12.424 548 H LEU 69 H LEU 69 -3.548 -3.084 -11.489 549 HA LEU 69 HA LEU 69 -4.763 -1.344 -9.574 550 HB2 LEU 69 HB2 LEU 69 -2.349 -1.370 -9.992 551 HB3 LEU 69 HB3 LEU 69 -2.606 -0.811 -11.648 552 HG LEU 69 HG LEU 69 -3.457 1.344 -10.794 553 HD11 LEU 69 HD11 LEU 69 -3.283 1.854 -8.399 554 HD12 LEU 69 HD12 LEU 69 -4.427 0.528 -8.706 555 HD13 LEU 69 HD13 LEU 69 -2.802 0.174 -8.075 556 HD21 LEU 69 HD21 LEU 69 -1.300 2.161 -9.907 557 HD22 LEU 69 HD22 LEU 69 -0.789 0.483 -9.603 558 HD23 LEU 69 HD23 LEU 69 -1.051 1.045 -11.272 559 H GLU 70 H GLU 70 -4.631 -1.283 -13.133 560 HA GLU 70 HA GLU 70 -5.812 1.279 -13.466 561 HB2 GLU 70 HB2 GLU 70 -5.771 -1.178 -15.256 562 HB3 GLU 70 HB3 GLU 70 -6.457 0.359 -15.763 563 HG2 GLU 70 HG2 GLU 70 -3.589 -0.058 -14.891 564 HG3 GLU 70 HG3 GLU 70 -4.150 -0.011 -16.560 565 H ALA 71 H ALA 71 -7.244 -1.933 -13.052 566 HA ALA 71 HA ALA 71 -9.961 -1.032 -13.411 567 HB1 ALA 71 HB1 ALA 71 -10.565 -3.186 -12.356 568 HB2 ALA 71 HB2 ALA 71 -9.347 -3.397 -13.635 569 HB3 ALA 71 HB3 ALA 71 -8.860 -3.444 -11.924 570 H ALA 72 H ALA 72 -7.830 -1.430 -10.600 571 HA ALA 72 HA ALA 72 -9.785 -0.788 -8.628 572 HB1 ALA 72 HB1 ALA 72 -7.848 -0.299 -7.171 573 HB2 ALA 72 HB2 ALA 72 -7.632 -1.822 -8.067 574 HB3 ALA 72 HB3 ALA 72 -6.776 -0.352 -8.591 575 H ARG 73 H ARG 73 -7.613 1.232 -10.570 576 HA ARG 73 HA ARG 73 -8.410 3.705 -9.299 577 HB2 ARG 73 HB2 ARG 73 -7.057 3.066 -11.933 578 HB3 ARG 73 HB3 ARG 73 -7.434 4.711 -11.442 579 HG2 ARG 73 HG2 ARG 73 -6.004 4.484 -9.475 580 HG3 ARG 73 HG3 ARG 73 -5.657 2.793 -9.911 581 HD2 ARG 73 HD2 ARG 73 -4.526 3.444 -11.871 582 HD3 ARG 73 HD3 ARG 73 -5.089 5.125 -11.717 583 HE ARG 73 HE ARG 73 -3.696 4.621 -9.388 584 HH11 ARG 73 HH11 ARG 73 -2.983 4.502 -12.825 585 HH12 ARG 73 HH12 ARG 73 -1.292 4.896 -12.616 586 HH21 ARG 73 HH21 ARG 73 -1.498 5.133 -9.128 587 HH22 ARG 73 HH22 ARG 73 -0.449 5.252 -10.524 588 H SER 74 H SER 74 -9.537 1.831 -12.079 589 HA SER 74 HA SER 74 -11.434 3.781 -13.010 590 HB2 SER 74 HB2 SER 74 -11.340 0.760 -13.282 591 HB3 SER 74 HB3 SER 74 -12.503 1.784 -14.109 592 HG SER 74 HG SER 74 -9.718 1.697 -14.359 593 H GLY 75 H GLY 75 -11.546 1.206 -10.589 594 HA2 GLY 75 HA2 GLY 75 -12.979 1.256 -8.685 595 HA3 GLY 75 HA3 GLY 75 -14.016 2.417 -9.494 596 H GLY 76 H GLY 76 -12.860 -0.506 -11.082 597 HA2 GLY 76 HA2 GLY 76 -14.945 -2.307 -10.462 598 HA3 GLY 76 HA3 GLY 76 -15.518 -1.339 -11.808 599 HA PRO 77 HA PRO 77 -12.902 -5.031 -13.153 600 HB2 PRO 77 HB2 PRO 77 -15.371 -5.308 -14.904 601 HB3 PRO 77 HB3 PRO 77 -14.391 -6.576 -14.156 602 HG2 PRO 77 HG2 PRO 77 -16.724 -5.954 -13.032 603 HG3 PRO 77 HG3 PRO 77 -15.320 -6.219 -11.995 604 HD2 PRO 77 HD2 PRO 77 -16.550 -3.594 -12.924 605 HD3 PRO 77 HD3 PRO 77 -15.934 -4.047 -11.282 606 H SER 78 H SER 78 -11.584 -4.928 -14.937 607 HA SER 78 HA SER 78 -10.631 -4.129 -16.873 608 HB2 SER 78 HB2 SER 78 -12.801 -5.010 -17.807 609 HB3 SER 78 HB3 SER 78 -13.460 -3.387 -17.677 610 HG SER 78 HG SER 78 -12.483 -4.053 -19.713 611 H PHE 79 H PHE 79 -11.484 -1.964 -18.548 612 HA PHE 79 HA PHE 79 -10.556 0.247 -16.822 613 HB2 PHE 79 HB3 PHE 79 -10.878 -0.027 -19.833 614 HB3 PHE 79 HB2 PHE 79 -10.390 1.465 -19.048 615 HD1 PHE 79 HD1 PHE 79 -9.407 -2.002 -19.793 616 HD2 PHE 79 HD2 PHE 79 -8.185 1.745 -18.148 617 HE1 PHE 79 HE1 PHE 79 -7.055 -2.761 -19.819 618 HE2 PHE 79 HE2 PHE 79 -5.830 0.992 -18.175 619 HZ PHE 79 HZ PHE 79 -5.267 -1.263 -19.009 620 H GLY 80 H GLY 80 -11.675 2.050 -16.337 621 HA2 GLY 80 HA2 GLY 80 -14.579 2.019 -16.952 622 HA3 GLY 80 HA3 GLY 80 -13.791 2.981 -15.716 623 HA PRO 81 HA PRO 81 -14.864 5.755 -19.252 624 HB2 PRO 81 HB2 PRO 81 -14.976 7.601 -16.840 625 HB3 PRO 81 HB3 PRO 81 -16.055 7.532 -18.238 626 HG2 PRO 81 HG2 PRO 81 -16.885 6.456 -15.950 627 HG3 PRO 81 HG3 PRO 81 -17.177 5.583 -17.458 628 HD2 PRO 81 HD2 PRO 81 -14.998 5.140 -15.374 629 HD3 PRO 81 HD3 PRO 81 -16.010 3.917 -16.242 Start of MODEL 15 1 HA SER 1 HA SER 1 -4.829 -15.742 -6.390 2 HB2 SER 1 HB2 SER 1 -3.580 -15.869 -8.436 3 HB3 SER 1 HB3 SER 1 -5.062 -16.787 -8.653 4 HG SER 1 HG SER 1 -4.868 -14.082 -9.351 5 H VAL 2 H VAL 2 -2.839 -14.305 -7.261 6 HA VAL 2 HA VAL 2 -3.712 -11.484 -6.802 7 HB VAL 2 HB VAL 2 -1.042 -12.792 -6.125 8 HG11 VAL 2 HG11 VAL 2 -0.580 -10.711 -4.922 9 HG12 VAL 2 HG12 VAL 2 -0.814 -10.437 -6.664 10 HG13 VAL 2 HG13 VAL 2 -2.111 -10.028 -5.516 11 HG21 VAL 2 HG21 VAL 2 -1.791 -12.550 -3.780 12 HG22 VAL 2 HG22 VAL 2 -3.360 -11.930 -4.345 13 HG23 VAL 2 HG23 VAL 2 -2.886 -13.609 -4.700 14 H LYS 3 H LYS 3 -3.835 -10.597 -8.784 15 HA LYS 3 HA LYS 3 -2.058 -11.373 -10.935 16 HB2 LYS 3 HB2 LYS 3 -4.373 -10.628 -11.361 17 HB3 LYS 3 HB3 LYS 3 -4.003 -9.041 -10.699 18 HG2 LYS 3 HG2 LYS 3 -2.430 -8.607 -12.517 19 HG3 LYS 3 HG3 LYS 3 -2.698 -10.233 -13.164 20 HD2 LYS 3 HD2 LYS 3 -5.060 -9.716 -13.573 21 HD3 LYS 3 HD3 LYS 3 -4.859 -8.117 -12.842 22 HE2 LYS 3 HE2 LYS 3 -3.251 -7.497 -14.600 23 HE3 LYS 3 HE3 LYS 3 -3.395 -9.102 -15.319 24 HZ1 LYS 3 HZ1 LYS 3 -4.766 -7.506 -16.443 25 HZ2 LYS 3 HZ2 LYS 3 -5.716 -8.647 -15.726 26 HZ3 LYS 3 HZ3 LYS 3 -5.580 -7.146 -15.056 27 H GLU 4 H GLU 4 -2.554 -8.186 -9.367 28 HA GLU 4 HA GLU 4 0.189 -7.453 -10.244 29 HB2 GLU 4 HB2 GLU 4 -2.078 -5.736 -9.148 30 HB3 GLU 4 HB3 GLU 4 -0.510 -5.130 -9.669 31 HG2 GLU 4 HG2 GLU 4 -2.478 -6.575 -11.459 32 HG3 GLU 4 HG3 GLU 4 -2.326 -4.825 -11.328 33 H THR 5 H THR 5 1.701 -6.522 -8.841 34 HA THR 5 HA THR 5 1.208 -7.121 -5.957 35 HB THR 5 HB THR 5 3.542 -7.943 -5.773 36 HG1 THR 5 HG1 THR 5 4.799 -7.360 -7.372 37 HG21 THR 5 HG21 THR 5 3.227 -10.081 -6.955 38 HG22 THR 5 HG22 THR 5 1.715 -9.558 -6.175 39 HG23 THR 5 HG23 THR 5 1.927 -9.357 -7.930 40 H LYS 6 H LYS 6 1.636 -4.724 -8.058 41 HA LYS 6 HA LYS 6 4.004 -3.383 -7.276 42 HB2 LYS 6 HB2 LYS 6 2.705 -2.802 -9.298 43 HB3 LYS 6 HB3 LYS 6 1.387 -2.211 -8.297 44 HG2 LYS 6 HG2 LYS 6 2.820 -0.430 -7.412 45 HG3 LYS 6 HG3 LYS 6 4.184 -1.042 -8.358 46 HD2 LYS 6 HD2 LYS 6 2.941 -0.622 -10.447 47 HD3 LYS 6 HD3 LYS 6 1.556 -0.038 -9.513 48 HE2 LYS 6 HE2 LYS 6 2.931 1.788 -8.591 49 HE3 LYS 6 HE3 LYS 6 4.334 1.198 -9.485 50 HZ1 LYS 6 HZ1 LYS 6 3.256 2.997 -10.621 51 HZ2 LYS 6 HZ2 LYS 6 3.140 1.621 -11.523 52 HZ3 LYS 6 HZ3 LYS 6 1.829 2.173 -10.688 53 H LEU 7 H LEU 7 0.655 -2.948 -6.100 54 HA LEU 7 HA LEU 7 1.339 -0.844 -4.282 55 HB2 LEU 7 HB2 LEU 7 -1.014 -2.766 -4.308 56 HB3 LEU 7 HB3 LEU 7 -0.895 -1.343 -3.269 57 HG LEU 7 HG LEU 7 -1.039 -1.341 -6.305 58 HD11 LEU 7 HD11 LEU 7 -3.229 -0.301 -5.920 59 HD12 LEU 7 HD12 LEU 7 -3.140 -1.929 -5.207 60 HD13 LEU 7 HD13 LEU 7 -3.011 -0.493 -4.163 61 HD21 LEU 7 HD21 LEU 7 -1.159 1.114 -6.047 62 HD22 LEU 7 HD22 LEU 7 -0.913 0.943 -4.293 63 HD23 LEU 7 HD23 LEU 7 0.382 0.480 -5.422 64 H TYR 8 H TYR 8 1.255 -4.356 -4.004 65 HA TYR 8 HA TYR 8 1.532 -4.419 -1.131 66 HB2 TYR 8 HB2 TYR 8 2.156 -6.481 -3.282 67 HB3 TYR 8 HB3 TYR 8 2.274 -6.803 -1.558 68 HD1 TYR 8 HD1 TYR 8 0.207 -7.044 -4.363 69 HD2 TYR 8 HD2 TYR 8 0.086 -6.136 -0.172 70 HE1 TYR 8 HE1 TYR 8 -2.194 -7.627 -4.307 71 HE2 TYR 8 HE2 TYR 8 -2.316 -6.718 -0.116 72 HH TYR 8 HH TYR 8 -4.022 -7.774 -3.053 73 H ASP 9 H ASP 9 3.808 -4.339 -3.835 74 HA ASP 9 HA ASP 9 6.149 -4.764 -2.197 75 HB2 ASP 9 HB2 ASP 9 5.753 -3.603 -4.977 76 HB3 ASP 9 HB3 ASP 9 7.337 -3.762 -4.233 77 H LEU 10 H LEU 10 4.351 -1.919 -3.292 78 HA LEU 10 HA LEU 10 6.240 0.035 -2.404 79 HB2 LEU 10 HB2 LEU 10 3.233 0.120 -2.797 80 HB3 LEU 10 HB3 LEU 10 4.181 1.537 -2.334 81 HG LEU 10 HG LEU 10 4.611 -0.049 -4.889 82 HD11 LEU 10 HD11 LEU 10 3.485 1.833 -5.993 83 HD12 LEU 10 HD12 LEU 10 2.402 0.993 -4.856 84 HD13 LEU 10 HD13 LEU 10 3.132 2.553 -4.405 85 HD21 LEU 10 HD21 LEU 10 5.948 1.931 -5.521 86 HD22 LEU 10 HD22 LEU 10 5.631 2.655 -3.926 87 HD23 LEU 10 HD23 LEU 10 6.596 1.164 -4.051 88 H LEU 11 H LEU 11 3.540 -1.614 -0.792 89 HA LEU 11 HA LEU 11 3.945 -0.125 1.691 90 HB2 LEU 11 HB2 LEU 11 2.275 -2.572 1.021 91 HB3 LEU 11 HB3 LEU 11 2.284 -1.778 2.599 92 HG LEU 11 HG LEU 11 1.345 -0.555 -0.018 93 HD11 LEU 11 HD11 LEU 11 -0.861 -0.639 1.057 94 HD12 LEU 11 HD12 LEU 11 -0.156 -2.261 0.875 95 HD13 LEU 11 HD13 LEU 11 -0.144 -1.459 2.463 96 HD21 LEU 11 HD21 LEU 11 0.645 1.339 1.409 97 HD22 LEU 11 HD22 LEU 11 1.384 0.548 2.821 98 HD23 LEU 11 HD23 LEU 11 2.407 1.104 1.477 99 H GLY 12 H GLY 12 5.018 -3.139 0.270 100 HA2 GLY 12 HA2 GLY 12 6.780 -4.514 0.986 101 HA3 GLY 12 HA3 GLY 12 6.952 -3.534 2.430 102 H VAL 13 H VAL 13 4.075 -5.227 1.150 103 HA VAL 13 HA VAL 13 4.112 -7.044 3.492 104 HB VAL 13 HB VAL 13 2.839 -5.009 4.187 105 HG11 VAL 13 HG11 VAL 13 0.700 -4.489 3.118 106 HG12 VAL 13 HG12 VAL 13 2.072 -4.284 2.001 107 HG13 VAL 13 HG13 VAL 13 1.024 -5.719 1.873 108 HG21 VAL 13 HG21 VAL 13 0.797 -6.208 4.906 109 HG22 VAL 13 HG22 VAL 13 1.133 -7.488 3.716 110 HG23 VAL 13 HG23 VAL 13 2.241 -7.232 5.085 111 H SER 14 H SER 14 3.048 -8.963 3.192 112 HA SER 14 HA SER 14 2.768 -9.752 0.424 113 HB2 SER 14 HB2 SER 14 2.344 -11.958 1.295 114 HB3 SER 14 HB3 SER 14 3.646 -11.232 2.226 115 HG SER 14 HG SER 14 1.354 -12.176 3.060 116 HA PRO 15 HA PRO 15 -1.497 -9.157 -0.155 117 HB2 PRO 15 HB2 PRO 15 -2.102 -11.126 -1.973 118 HB3 PRO 15 HB3 PRO 15 -1.108 -9.726 -2.396 119 HG2 PRO 15 HG2 PRO 15 -0.216 -12.524 -1.581 120 HG3 PRO 15 HG3 PRO 15 0.337 -11.555 -2.950 121 HD2 PRO 15 HD2 PRO 15 1.749 -11.647 -0.622 122 HD3 PRO 15 HD3 PRO 15 1.654 -10.131 -1.606 123 H SER 16 H SER 16 -0.215 -12.059 1.184 124 HA SER 16 HA SER 16 -2.747 -13.327 1.824 125 HB2 SER 16 HB2 SER 16 -1.436 -14.787 3.225 126 HB3 SER 16 HB3 SER 16 -0.572 -14.538 1.714 127 HG SER 16 HG SER 16 0.033 -13.775 4.264 128 H ALA 17 H ALA 17 -1.124 -10.578 2.977 129 HA ALA 17 HA ALA 17 -1.940 -10.736 5.742 130 HB1 ALA 17 HB1 ALA 17 -1.331 -8.339 5.812 131 HB2 ALA 17 HB2 ALA 17 -0.066 -9.318 5.032 132 HB3 ALA 17 HB3 ALA 17 -1.171 -8.336 4.042 133 H ASN 18 H ASN 18 -3.657 -9.871 6.804 134 HA ASN 18 HA ASN 18 -6.013 -9.230 5.164 135 HB2 ASN 18 HB2 ASN 18 -7.245 -9.281 7.238 136 HB3 ASN 18 HB3 ASN 18 -6.192 -10.688 7.165 137 HD21 ASN 18 HD21 ASN 18 -5.546 -9.751 10.509 138 HD22 ASN 18 HD22 ASN 18 -6.539 -10.736 9.485 139 H GLU 19 H GLU 19 -7.443 -7.424 6.407 140 HA GLU 19 HA GLU 19 -6.330 -5.046 5.338 141 HB2 GLU 19 HB2 GLU 19 -8.629 -5.427 7.297 142 HB3 GLU 19 HB3 GLU 19 -8.258 -3.909 6.492 143 HG2 GLU 19 HG2 GLU 19 -9.927 -4.754 5.164 144 HG3 GLU 19 HG3 GLU 19 -8.486 -5.280 4.296 145 H GLN 20 H GLN 20 -6.352 -6.345 8.618 146 HA GLN 20 HA GLN 20 -5.472 -3.905 9.882 147 HB2 GLN 20 HB2 GLN 20 -5.387 -6.812 10.773 148 HB3 GLN 20 HB3 GLN 20 -4.880 -5.474 11.792 149 HG2 GLN 20 HG2 GLN 20 -7.111 -4.527 11.746 150 HG3 GLN 20 HG3 GLN 20 -7.647 -5.798 10.612 151 HE21 GLN 20 HE21 GLN 20 -8.573 -6.587 14.196 152 HE22 GLN 20 HE22 GLN 20 -8.755 -5.168 13.219 153 H GLU 21 H GLU 21 -3.802 -6.817 8.698 154 HA GLU 21 HA GLU 21 -1.193 -5.901 9.561 155 HB2 GLU 21 HB2 GLU 21 -2.059 -8.052 7.593 156 HB3 GLU 21 HB3 GLU 21 -0.384 -7.752 8.029 157 HG2 GLU 21 HG2 GLU 21 -2.587 -8.575 9.932 158 HG3 GLU 21 HG3 GLU 21 -1.343 -9.629 9.265 159 H LEU 22 H LEU 22 -3.090 -5.655 6.591 160 HA LEU 22 HA LEU 22 -1.046 -4.495 4.965 161 HB2 LEU 22 HB2 LEU 22 -4.067 -4.208 4.948 162 HB3 LEU 22 HB3 LEU 22 -3.018 -3.494 3.720 163 HG LEU 22 HG LEU 22 -3.175 -6.472 4.301 164 HD11 LEU 22 HD11 LEU 22 -4.520 -6.593 2.251 165 HD12 LEU 22 HD12 LEU 22 -5.324 -5.625 3.508 166 HD13 LEU 22 HD13 LEU 22 -4.515 -4.818 2.144 167 HD21 LEU 22 HD21 LEU 22 -2.012 -6.632 2.127 168 HD22 LEU 22 HD22 LEU 22 -1.972 -4.856 2.017 169 HD23 LEU 22 HD23 LEU 22 -1.056 -5.689 3.296 170 H LYS 23 H LYS 23 -3.391 -3.093 7.242 171 HA LYS 23 HA LYS 23 -2.693 -0.364 6.844 172 HB2 LYS 23 HB2 LYS 23 -4.663 -1.101 8.151 173 HB3 LYS 23 HB3 LYS 23 -3.607 -1.769 9.386 174 HG2 LYS 23 HG2 LYS 23 -2.767 0.460 9.929 175 HG3 LYS 23 HG3 LYS 23 -3.738 1.164 8.628 176 HD2 LYS 23 HD2 LYS 23 -5.804 0.391 9.742 177 HD3 LYS 23 HD3 LYS 23 -4.839 -0.333 11.037 178 HE2 LYS 23 HE2 LYS 23 -3.940 1.900 11.612 179 HE3 LYS 23 HE3 LYS 23 -4.902 2.623 10.320 180 HZ1 LYS 23 HZ1 LYS 23 -5.972 2.832 12.442 181 HZ2 LYS 23 HZ2 LYS 23 -6.880 1.872 11.454 182 HZ3 LYS 23 HZ3 LYS 23 -5.980 1.198 12.662 183 H LYS 24 H LYS 24 -1.328 -2.833 9.023 184 HA LYS 24 HA LYS 24 0.608 -1.180 10.271 185 HB2 LYS 24 HB2 LYS 24 0.632 -4.148 9.606 186 HB3 LYS 24 HB3 LYS 24 1.887 -3.366 10.559 187 HG2 LYS 24 HG2 LYS 24 0.238 -2.724 12.256 188 HG3 LYS 24 HG3 LYS 24 -1.056 -3.447 11.288 189 HD2 LYS 24 HD2 LYS 24 0.119 -5.653 11.442 190 HD3 LYS 24 HD3 LYS 24 1.322 -4.903 12.500 191 HE2 LYS 24 HE2 LYS 24 -0.419 -4.356 14.139 192 HE3 LYS 24 HE3 LYS 24 -1.663 -5.013 13.072 193 HZ1 LYS 24 HZ1 LYS 24 -1.029 -6.579 14.755 194 HZ2 LYS 24 HZ2 LYS 24 -0.615 -7.161 13.269 195 HZ3 LYS 24 HZ3 LYS 24 0.546 -6.548 14.267 196 H GLY 25 H GLY 25 0.749 -3.022 7.229 197 HA2 GLY 25 HA2 GLY 25 3.429 -2.449 6.514 198 HA3 GLY 25 HA3 GLY 25 2.125 -2.753 5.382 199 H TYR 26 H TYR 26 0.415 -0.612 5.924 200 HA TYR 26 HA TYR 26 1.619 1.518 4.461 201 HB2 TYR 26 HB2 TYR 26 -0.798 1.188 4.455 202 HB3 TYR 26 HB3 TYR 26 -0.882 1.445 6.192 203 HD1 TYR 26 HD1 TYR 26 0.572 3.253 3.236 204 HD2 TYR 26 HD2 TYR 26 -1.754 3.461 6.836 205 HE1 TYR 26 HE1 TYR 26 0.209 5.669 2.863 206 HE2 TYR 26 HE2 TYR 26 -2.115 5.878 6.462 207 HH TYR 26 HH TYR 26 -0.994 7.472 3.520 208 H ARG 27 H ARG 27 0.964 1.133 7.943 209 HA ARG 27 HA ARG 27 1.827 3.700 8.756 210 HB2 ARG 27 HB2 ARG 27 1.910 1.026 10.183 211 HB3 ARG 27 HB3 ARG 27 2.332 2.544 10.962 212 HG2 ARG 27 HG2 ARG 27 0.086 3.397 10.629 213 HG3 ARG 27 HG3 ARG 27 -0.360 1.937 9.712 214 HD2 ARG 27 HD2 ARG 27 -1.184 1.734 11.929 215 HD3 ARG 27 HD3 ARG 27 0.169 0.597 11.722 216 HE ARG 27 HE ARG 27 1.031 3.122 12.798 217 HH11 ARG 27 HH11 ARG 27 -0.490 0.065 13.626 218 HH12 ARG 27 HH12 ARG 27 0.022 0.119 15.298 219 HH21 ARG 27 HH21 ARG 27 1.689 3.182 14.971 220 HH22 ARG 27 HH22 ARG 27 1.254 1.884 16.060 221 H LYS 28 H LYS 28 3.660 0.675 8.317 222 HA LYS 28 HA LYS 28 6.178 1.781 9.167 223 HB2 LYS 28 HB2 LYS 28 5.474 -0.622 7.441 224 HB3 LYS 28 HB3 LYS 28 7.123 -0.215 7.892 225 HG2 LYS 28 HG2 LYS 28 6.557 -0.468 10.270 226 HG3 LYS 28 HG3 LYS 28 4.881 -0.838 9.837 227 HD2 LYS 28 HD2 LYS 28 5.657 -2.813 8.553 228 HD3 LYS 28 HD3 LYS 28 7.326 -2.447 9.010 229 HE2 LYS 28 HE2 LYS 28 6.742 -2.724 11.392 230 HE3 LYS 28 HE3 LYS 28 5.069 -3.066 10.950 231 HZ1 LYS 28 HZ1 LYS 28 6.307 -5.069 11.334 232 HZ2 LYS 28 HZ2 LYS 28 5.840 -4.997 9.754 233 HZ3 LYS 28 HZ3 LYS 28 7.405 -4.678 10.168 234 H ALA 29 H ALA 29 4.662 1.351 5.970 235 HA ALA 29 HA ALA 29 6.886 2.382 4.494 236 HB1 ALA 29 HB1 ALA 29 5.262 2.619 2.642 237 HB2 ALA 29 HB2 ALA 29 5.123 1.036 3.443 238 HB3 ALA 29 HB3 ALA 29 3.932 2.312 3.781 239 H ALA 30 H ALA 30 4.070 3.902 5.993 240 HA ALA 30 HA ALA 30 4.401 6.478 4.825 241 HB1 ALA 30 HB1 ALA 30 3.040 7.283 6.728 242 HB2 ALA 30 HB2 ALA 30 2.353 5.810 6.001 243 HB3 ALA 30 HB3 ALA 30 3.252 5.712 7.533 244 H LEU 31 H LEU 31 5.733 5.045 7.800 245 HA LEU 31 HA LEU 31 7.246 7.369 8.553 246 HB2 LEU 31 HB2 LEU 31 7.596 4.415 9.160 247 HB3 LEU 31 HB3 LEU 31 8.604 5.681 9.869 248 HG LEU 31 HG LEU 31 5.591 5.483 10.217 249 HD11 LEU 31 HD11 LEU 31 6.127 4.694 12.479 250 HD12 LEU 31 HD12 LEU 31 6.738 3.581 11.232 251 HD13 LEU 31 HD13 LEU 31 7.857 4.685 12.065 252 HD21 LEU 31 HD21 LEU 31 5.996 7.153 11.993 253 HD22 LEU 31 HD22 LEU 31 7.726 7.180 11.574 254 HD23 LEU 31 HD23 LEU 31 6.519 7.766 10.405 255 H LYS 32 H LYS 32 7.959 4.520 6.551 256 HA LYS 32 HA LYS 32 10.726 4.996 6.178 257 HB2 LYS 32 HB2 LYS 32 9.582 2.901 5.515 258 HB3 LYS 32 HB3 LYS 32 8.723 3.760 4.246 259 HG2 LYS 32 HG2 LYS 32 10.829 4.224 3.088 260 HG3 LYS 32 HG3 LYS 32 11.735 3.444 4.392 261 HD2 LYS 32 HD2 LYS 32 10.576 1.310 3.925 262 HD3 LYS 32 HD3 LYS 32 9.664 2.088 2.624 263 HE2 LYS 32 HE2 LYS 32 11.768 2.577 1.431 264 HE3 LYS 32 HE3 LYS 32 12.691 1.825 2.733 265 HZ1 LYS 32 HZ1 LYS 32 12.357 0.325 0.908 266 HZ2 LYS 32 HZ2 LYS 32 11.580 -0.246 2.247 267 HZ3 LYS 32 HZ3 LYS 32 10.718 0.457 1.028 268 H TYR 33 H TYR 33 7.907 6.216 4.381 269 HA TYR 33 HA TYR 33 9.773 7.929 2.803 270 HB2 TYR 33 HB2 TYR 33 6.886 7.172 2.194 271 HB3 TYR 33 HB3 TYR 33 7.944 8.127 1.165 272 HD1 TYR 33 HD1 TYR 33 6.607 4.966 1.634 273 HD2 TYR 33 HD2 TYR 33 10.316 6.902 0.687 274 HE1 TYR 33 HE1 TYR 33 7.403 2.902 0.534 275 HE2 TYR 33 HE2 TYR 33 11.114 4.837 -0.413 276 HH TYR 33 HH TYR 33 9.017 1.997 -0.734 277 H HIS 34 H HIS 34 8.780 8.405 5.571 278 HA HIS 34 HA HIS 34 6.732 10.425 5.501 279 HB2 HIS 34 HB2 HIS 34 7.576 9.054 7.519 280 HB3 HIS 34 HB3 HIS 34 8.901 10.208 7.603 281 HD2 HIS 34 HD2 HIS 34 5.293 9.870 8.797 282 HE1 HIS 34 HE1 HIS 34 6.366 13.966 9.280 283 HE2 HIS 34 HE2 HIS 34 4.645 12.166 9.833 284 HA PRO 35 HA PRO 35 8.732 13.712 3.602 285 HB2 PRO 35 HB2 PRO 35 7.060 15.331 5.579 286 HB3 PRO 35 HB3 PRO 35 7.289 15.600 3.847 287 HG2 PRO 35 HG2 PRO 35 5.045 14.421 4.641 288 HG3 PRO 35 HG3 PRO 35 5.891 13.772 3.232 289 HD2 PRO 35 HD2 PRO 35 5.849 12.746 6.089 290 HD3 PRO 35 HD3 PRO 35 5.836 11.814 4.538 291 H ASP 36 H ASP 36 8.536 13.498 7.130 292 HA ASP 36 HA ASP 36 10.580 15.614 7.455 293 HB2 ASP 36 HB2 ASP 36 8.864 14.102 9.462 294 HB3 ASP 36 HB3 ASP 36 10.077 15.291 9.913 295 H LYS 37 H LYS 37 10.855 12.597 6.573 296 HA LYS 37 HA LYS 37 13.141 12.039 8.415 297 HB2 LYS 37 HB2 LYS 37 11.564 10.128 6.645 298 HB3 LYS 37 HB3 LYS 37 12.966 9.683 7.607 299 HG2 LYS 37 HG2 LYS 37 10.384 10.785 8.753 300 HG3 LYS 37 HG3 LYS 37 10.800 9.068 8.649 301 HD2 LYS 37 HD2 LYS 37 12.837 9.515 10.029 302 HD3 LYS 37 HD3 LYS 37 12.320 11.200 10.195 303 HE2 LYS 37 HE2 LYS 37 10.202 10.419 11.248 304 HE3 LYS 37 HE3 LYS 37 10.775 8.754 11.132 305 HZ1 LYS 37 HZ1 LYS 37 11.187 9.680 13.292 306 HZ2 LYS 37 HZ2 LYS 37 12.621 9.353 12.543 307 HZ3 LYS 37 HZ3 LYS 37 12.085 10.907 12.653 308 HA PRO 38 HA PRO 38 16.124 12.720 5.387 309 HB2 PRO 38 HB2 PRO 38 17.158 9.929 6.022 310 HB3 PRO 38 HB3 PRO 38 18.052 11.452 5.937 311 HG2 PRO 38 HG2 PRO 38 17.433 10.491 8.337 312 HG3 PRO 38 HG3 PRO 38 17.225 12.218 8.035 313 HD2 PRO 38 HD2 PRO 38 15.132 10.009 8.055 314 HD3 PRO 38 HD3 PRO 38 15.033 11.681 8.742 315 H THR 39 H THR 39 14.438 9.606 5.389 316 HA THR 39 HA THR 39 15.058 9.226 2.506 317 HB THR 39 HB THR 39 14.112 6.941 2.828 318 HG1 THR 39 HG1 THR 39 12.722 7.018 4.482 319 HG21 THR 39 HG21 THR 39 15.914 6.077 4.270 320 HG22 THR 39 HG22 THR 39 16.526 7.338 3.172 321 HG23 THR 39 HG23 THR 39 16.217 7.720 4.881 322 H GLY 40 H GLY 40 13.107 11.200 3.713 323 HA2 GLY 40 HA2 GLY 40 10.431 10.336 3.279 324 HA3 GLY 40 HA3 GLY 40 10.981 12.001 3.253 325 H ASP 41 H ASP 41 9.066 10.427 1.528 326 HA ASP 41 HA ASP 41 10.053 11.471 -1.041 327 HB2 ASP 41 HB2 ASP 41 10.933 9.141 -0.971 328 HB3 ASP 41 HB3 ASP 41 9.301 8.536 -0.716 329 H THR 42 H THR 42 8.403 12.859 -1.301 330 HA THR 42 HA THR 42 5.786 12.435 -0.289 331 HB THR 42 HB THR 42 6.718 14.303 -2.512 332 HG1 THR 42 HG1 THR 42 6.683 15.810 -0.739 333 HG21 THR 42 HG21 THR 42 4.670 15.574 -2.003 334 HG22 THR 42 HG22 THR 42 4.276 13.933 -2.570 335 HG23 THR 42 HG23 THR 42 4.179 14.322 -0.837 336 H GLU 43 H GLU 43 7.151 11.904 -3.527 337 HA GLU 43 HA GLU 43 4.734 11.318 -4.872 338 HB2 GLU 43 HB2 GLU 43 6.907 11.660 -6.014 339 HB3 GLU 43 HB3 GLU 43 7.509 10.151 -5.342 340 HG2 GLU 43 HG2 GLU 43 5.830 8.893 -6.593 341 HG3 GLU 43 HG3 GLU 43 5.150 10.392 -7.223 342 H LYS 44 H LYS 44 7.045 9.057 -3.330 343 HA LYS 44 HA LYS 44 5.355 6.762 -3.772 344 HB2 LYS 44 HB2 LYS 44 7.742 7.255 -1.959 345 HB3 LYS 44 HB3 LYS 44 6.912 5.707 -2.031 346 HG2 LYS 44 HG2 LYS 44 7.401 5.624 -4.493 347 HG3 LYS 44 HG3 LYS 44 8.365 7.095 -4.298 348 HD2 LYS 44 HD2 LYS 44 9.811 5.941 -2.662 349 HD3 LYS 44 HD3 LYS 44 8.840 4.472 -2.834 350 HE2 LYS 44 HE2 LYS 44 10.827 4.264 -4.206 351 HE3 LYS 44 HE3 LYS 44 9.419 4.410 -5.261 352 HZ1 LYS 44 HZ1 LYS 44 11.223 5.784 -6.001 353 HZ2 LYS 44 HZ2 LYS 44 9.949 6.732 -5.551 354 HZ3 LYS 44 HZ3 LYS 44 11.266 6.596 -4.566 355 H PHE 45 H PHE 45 5.705 9.100 -1.164 356 HA PHE 45 HA PHE 45 4.225 7.749 0.837 357 HB2 PHE 45 HB3 PHE 45 5.517 9.923 1.078 358 HB3 PHE 45 HB2 PHE 45 4.178 10.740 0.291 359 HD1 PHE 45 HD1 PHE 45 2.181 11.261 1.459 360 HD2 PHE 45 HD2 PHE 45 5.164 8.805 3.282 361 HE1 PHE 45 HE1 PHE 45 1.036 11.488 3.638 362 HE2 PHE 45 HE2 PHE 45 4.019 9.028 5.462 363 HZ PHE 45 HZ PHE 45 1.954 10.371 5.640 364 H LYS 46 H LYS 46 3.142 9.799 -1.865 365 HA LYS 46 HA LYS 46 0.336 9.548 -1.240 366 HB2 LYS 46 HB2 LYS 46 1.815 10.256 -3.800 367 HB3 LYS 46 HB3 LYS 46 0.060 10.248 -3.676 368 HG2 LYS 46 HG2 LYS 46 0.162 11.976 -1.926 369 HG3 LYS 46 HG3 LYS 46 1.929 11.973 -2.022 370 HD2 LYS 46 HD2 LYS 46 1.811 12.668 -4.389 371 HD3 LYS 46 HD3 LYS 46 0.043 12.653 -4.309 372 HE2 LYS 46 HE2 LYS 46 0.097 14.404 -2.573 373 HE3 LYS 46 HE3 LYS 46 1.862 14.411 -2.622 374 HZ1 LYS 46 HZ1 LYS 46 0.936 16.172 -3.938 375 HZ2 LYS 46 HZ2 LYS 46 1.738 15.109 -4.915 376 HZ3 LYS 46 HZ3 LYS 46 0.089 15.104 -4.867 377 H GLU 47 H GLU 47 2.620 7.673 -3.177 378 HA GLU 47 HA GLU 47 0.668 6.071 -4.523 379 HB2 GLU 47 HB2 GLU 47 3.594 5.598 -3.844 380 HB3 GLU 47 HB3 GLU 47 2.639 4.454 -4.778 381 HG2 GLU 47 HG2 GLU 47 2.249 6.127 -6.503 382 HG3 GLU 47 HG3 GLU 47 3.102 7.341 -5.553 383 H ILE 48 H ILE 48 2.448 5.625 -1.474 384 HA ILE 48 HA ILE 48 1.329 2.999 -0.984 385 HB ILE 48 HB ILE 48 2.309 3.251 1.281 386 HG12 ILE 48 HG12 ILE 48 3.075 6.054 0.440 387 HG13 ILE 48 HG13 ILE 48 1.722 5.679 1.498 388 HG21 ILE 48 HG21 ILE 48 4.656 3.530 0.591 389 HG22 ILE 48 HG22 ILE 48 3.755 2.551 -0.589 390 HG23 ILE 48 HG23 ILE 48 4.122 4.255 -0.943 391 HD11 ILE 48 HD11 ILE 48 3.680 6.335 2.778 392 HD12 ILE 48 HD12 ILE 48 3.254 4.639 3.111 393 HD13 ILE 48 HD13 ILE 48 4.625 5.020 2.042 394 H SER 49 H SER 49 0.344 6.286 -0.322 395 HA SER 49 HA SER 49 -1.731 5.632 1.565 396 HB2 SER 49 HB2 SER 49 -1.396 7.956 -0.358 397 HB3 SER 49 HB3 SER 49 -2.671 7.855 0.845 398 HG SER 49 HG SER 49 0.083 8.102 1.166 399 H GLU 50 H GLU 50 -1.646 5.967 -1.986 400 HA GLU 50 HA GLU 50 -4.370 5.206 -2.422 401 HB2 GLU 50 HB2 GLU 50 -1.863 4.968 -4.121 402 HB3 GLU 50 HB3 GLU 50 -3.437 4.437 -4.694 403 HG2 GLU 50 HG2 GLU 50 -4.325 6.691 -4.470 404 HG3 GLU 50 HG3 GLU 50 -2.803 7.250 -3.777 405 H ALA 51 H ALA 51 -1.361 3.311 -2.164 406 HA ALA 51 HA ALA 51 -2.482 0.763 -2.633 407 HB1 ALA 51 HB1 ALA 51 -0.559 -0.108 -1.340 408 HB2 ALA 51 HB2 ALA 51 -0.062 1.156 -2.490 409 HB3 ALA 51 HB3 ALA 51 -0.215 1.537 -0.759 410 H PHE 52 H PHE 52 -2.218 2.626 0.389 411 HA PHE 52 HA PHE 52 -3.294 0.655 2.118 412 HB2 PHE 52 HB3 PHE 52 -2.227 2.648 3.007 413 HB3 PHE 52 HB2 PHE 52 -3.411 3.692 2.236 414 HD1 PHE 52 HD1 PHE 52 -3.280 0.824 4.639 415 HD2 PHE 52 HD2 PHE 52 -5.151 4.494 3.506 416 HE1 PHE 52 HE1 PHE 52 -4.683 0.734 6.672 417 HE2 PHE 52 HE2 PHE 52 -6.555 4.408 5.540 418 HZ PHE 52 HZ PHE 52 -6.321 2.527 7.123 419 H GLU 53 H GLU 53 -4.974 3.406 0.544 420 HA GLU 53 HA GLU 53 -7.557 2.765 1.472 421 HB2 GLU 53 HB2 GLU 53 -7.005 4.919 0.416 422 HB3 GLU 53 HB3 GLU 53 -6.724 4.120 -1.124 423 HG2 GLU 53 HG2 GLU 53 -9.099 3.436 -1.190 424 HG3 GLU 53 HG3 GLU 53 -9.370 4.275 0.335 425 H ILE 54 H ILE 54 -5.953 1.819 -1.579 426 HA ILE 54 HA ILE 54 -8.229 0.475 -2.655 427 HB ILE 54 HB ILE 54 -5.254 0.234 -3.234 428 HG12 ILE 54 HG12 ILE 54 -7.468 1.418 -4.915 429 HG13 ILE 54 HG13 ILE 54 -6.526 2.358 -3.769 430 HG21 ILE 54 HG21 ILE 54 -5.889 -1.037 -5.245 431 HG22 ILE 54 HG22 ILE 54 -6.349 -1.909 -3.765 432 HG23 ILE 54 HG23 ILE 54 -7.585 -1.046 -4.707 433 HD11 ILE 54 HD11 ILE 54 -5.652 2.594 -6.026 434 HD12 ILE 54 HD12 ILE 54 -4.463 1.785 -4.976 435 HD13 ILE 54 HD13 ILE 54 -5.418 0.834 -6.137 436 H LEU 55 H LEU 55 -5.474 -0.678 -0.717 437 HA LEU 55 HA LEU 55 -6.322 -3.466 -1.092 438 HB2 LEU 55 HB2 LEU 55 -4.036 -2.246 0.496 439 HB3 LEU 55 HB3 LEU 55 -4.302 -3.978 0.268 440 HG LEU 55 HG LEU 55 -3.673 -1.979 -1.934 441 HD11 LEU 55 HD11 LEU 55 -1.512 -3.141 -2.011 442 HD12 LEU 55 HD12 LEU 55 -1.791 -2.376 -0.429 443 HD13 LEU 55 HD13 LEU 55 -1.995 -4.135 -0.617 444 HD21 LEU 55 HD21 LEU 55 -3.463 -4.005 -3.336 445 HD22 LEU 55 HD22 LEU 55 -3.973 -5.012 -1.959 446 HD23 LEU 55 HD23 LEU 55 -5.110 -3.848 -2.682 447 H ASN 56 H ASN 56 -6.577 -0.939 1.292 448 HA ASN 56 HA ASN 56 -7.318 -2.663 3.495 449 HB2 ASN 56 HB2 ASN 56 -6.501 -0.322 3.765 450 HB3 ASN 56 HB3 ASN 56 -7.987 0.261 3.028 451 HD21 ASN 56 HD21 ASN 56 -9.678 0.322 6.027 452 HD22 ASN 56 HD22 ASN 56 -9.437 0.936 4.426 453 H ASP 57 H ASP 57 -9.199 -0.743 1.142 454 HA ASP 57 HA ASP 57 -11.747 -1.737 2.013 455 HB2 ASP 57 HB2 ASP 57 -11.440 0.305 0.607 456 HB3 ASP 57 HB3 ASP 57 -10.924 -0.709 -0.733 457 HA PRO 58 HA PRO 58 -11.163 -5.924 0.758 458 HB2 PRO 58 HB2 PRO 58 -14.196 -5.770 1.047 459 HB3 PRO 58 HB3 PRO 58 -13.094 -7.036 1.605 460 HG2 PRO 58 HG2 PRO 58 -13.976 -5.277 3.388 461 HG3 PRO 58 HG3 PRO 58 -12.266 -5.718 3.409 462 HD2 PRO 58 HD2 PRO 58 -13.593 -3.231 2.273 463 HD3 PRO 58 HD3 PRO 58 -12.039 -3.381 3.187 464 H GLN 59 H GLN 59 -13.604 -3.700 -0.567 465 HA GLN 59 HA GLN 59 -14.208 -5.275 -2.901 466 HB2 GLN 59 HB2 GLN 59 -15.719 -3.514 -1.995 467 HB3 GLN 59 HB3 GLN 59 -14.544 -2.284 -2.439 468 HG2 GLN 59 HG2 GLN 59 -16.278 -2.339 -4.085 469 HG3 GLN 59 HG3 GLN 59 -14.779 -2.973 -4.819 470 HE21 GLN 59 HE21 GLN 59 -16.459 -5.758 -6.001 471 HE22 GLN 59 HE22 GLN 59 -15.338 -4.464 -6.266 472 H LYS 60 H LYS 60 -12.311 -2.256 -2.528 473 HA LYS 60 HA LYS 60 -11.339 -2.283 -5.213 474 HB2 LYS 60 HB2 LYS 60 -10.295 -0.944 -2.691 475 HB3 LYS 60 HB3 LYS 60 -9.580 -0.691 -4.278 476 HG2 LYS 60 HG2 LYS 60 -11.729 0.200 -5.107 477 HG3 LYS 60 HG3 LYS 60 -12.443 -0.050 -3.508 478 HD2 LYS 60 HD2 LYS 60 -10.773 1.490 -2.521 479 HD3 LYS 60 HD3 LYS 60 -10.061 1.740 -4.122 480 HE2 LYS 60 HE2 LYS 60 -12.212 2.659 -4.933 481 HE3 LYS 60 HE3 LYS 60 -12.919 2.414 -3.333 482 HZ1 LYS 60 HZ1 LYS 60 -12.181 4.661 -3.638 483 HZ2 LYS 60 HZ2 LYS 60 -11.296 3.942 -2.445 484 HZ3 LYS 60 HZ3 LYS 60 -10.637 4.171 -3.939 485 H ARG 61 H ARG 61 -10.149 -3.737 -2.232 486 HA ARG 61 HA ARG 61 -7.567 -4.489 -3.135 487 HB2 ARG 61 HB2 ARG 61 -8.294 -4.685 -0.791 488 HB3 ARG 61 HB3 ARG 61 -9.439 -5.942 -1.232 489 HG2 ARG 61 HG2 ARG 61 -7.497 -7.345 -1.996 490 HG3 ARG 61 HG3 ARG 61 -6.421 -6.100 -1.315 491 HD2 ARG 61 HD2 ARG 61 -6.818 -7.985 0.200 492 HD3 ARG 61 HD3 ARG 61 -7.360 -6.426 0.864 493 HE ARG 61 HE ARG 61 -9.483 -7.249 0.957 494 HH11 ARG 61 HH11 ARG 61 -7.654 -9.173 -1.344 495 HH12 ARG 61 HH12 ARG 61 -8.947 -10.324 -1.598 496 HH21 ARG 61 HH21 ARG 61 -11.153 -8.749 0.618 497 HH22 ARG 61 HH22 ARG 61 -10.928 -10.085 -0.488 498 H GLU 62 H GLU 62 -10.664 -6.282 -3.259 499 HA GLU 62 HA GLU 62 -9.624 -8.536 -4.668 500 HB2 GLU 62 HB2 GLU 62 -12.409 -7.360 -4.415 501 HB3 GLU 62 HB3 GLU 62 -12.096 -8.800 -5.372 502 HG2 GLU 62 HG2 GLU 62 -11.428 -8.527 -2.433 503 HG3 GLU 62 HG3 GLU 62 -12.915 -9.235 -3.062 504 H ILE 63 H ILE 63 -11.039 -5.472 -5.779 505 HA ILE 63 HA ILE 63 -11.049 -6.066 -8.559 506 HB ILE 63 HB ILE 63 -10.760 -3.439 -7.054 507 HG12 ILE 63 HG12 ILE 63 -13.097 -4.548 -8.618 508 HG13 ILE 63 HG13 ILE 63 -12.894 -4.770 -6.886 509 HG21 ILE 63 HG21 ILE 63 -11.228 -2.328 -9.200 510 HG22 ILE 63 HG22 ILE 63 -9.697 -3.231 -9.269 511 HG23 ILE 63 HG23 ILE 63 -11.157 -3.900 -10.033 512 HD11 ILE 63 HD11 ILE 63 -14.393 -2.916 -7.363 513 HD12 ILE 63 HD12 ILE 63 -12.916 -2.335 -6.558 514 HD13 ILE 63 HD13 ILE 63 -13.124 -2.110 -8.311 515 H TYR 64 H TYR 64 -8.526 -4.676 -6.463 516 HA TYR 64 HA TYR 64 -6.589 -4.307 -8.535 517 HB2 TYR 64 HB2 TYR 64 -6.390 -3.252 -6.311 518 HB3 TYR 64 HB3 TYR 64 -6.201 -4.830 -5.561 519 HD1 TYR 64 HD1 TYR 64 -4.646 -2.594 -8.118 520 HD2 TYR 64 HD2 TYR 64 -4.087 -5.746 -5.263 521 HE1 TYR 64 HE1 TYR 64 -2.199 -2.456 -8.444 522 HE2 TYR 64 HE2 TYR 64 -1.641 -5.608 -5.587 523 HH TYR 64 HH TYR 64 -0.223 -3.365 -7.949 524 H ASP 65 H ASP 65 -7.137 -7.014 -6.270 525 HA ASP 65 HA ASP 65 -4.897 -8.541 -7.174 526 HB2 ASP 65 HB2 ASP 65 -7.465 -9.354 -5.759 527 HB3 ASP 65 HB3 ASP 65 -6.148 -10.472 -6.084 528 H GLN 66 H GLN 66 -8.266 -8.361 -8.228 529 HA GLN 66 HA GLN 66 -7.965 -10.711 -9.962 530 HB2 GLN 66 HB2 GLN 66 -10.247 -8.747 -9.522 531 HB3 GLN 66 HB3 GLN 66 -10.326 -10.083 -10.663 532 HG2 GLN 66 HG2 GLN 66 -10.041 -11.691 -8.861 533 HG3 GLN 66 HG3 GLN 66 -9.871 -10.358 -7.685 534 HE21 GLN 66 HE21 GLN 66 -13.271 -10.745 -7.010 535 HE22 GLN 66 HE22 GLN 66 -11.640 -10.861 -6.436 536 H TYR 67 H TYR 67 -8.553 -7.200 -10.428 537 HA TYR 67 HA TYR 67 -8.372 -7.697 -13.353 538 HB2 TYR 67 HB2 TYR 67 -9.466 -5.301 -11.824 539 HB3 TYR 67 HB3 TYR 67 -9.494 -5.496 -13.570 540 HD1 TYR 67 HD1 TYR 67 -10.638 -7.732 -14.425 541 HD2 TYR 67 HD2 TYR 67 -11.322 -5.910 -10.602 542 HE1 TYR 67 HE1 TYR 67 -12.810 -8.897 -14.260 543 HE2 TYR 67 HE2 TYR 67 -13.495 -7.076 -10.437 544 HH TYR 67 HH TYR 67 -14.515 -9.422 -12.874 545 H GLY 68 H GLY 68 -7.098 -5.567 -10.801 546 HA2 GLY 68 HA2 GLY 68 -4.551 -5.469 -11.024 547 HA3 GLY 68 HA3 GLY 68 -4.841 -4.908 -12.658 548 H LEU 69 H LEU 69 -3.526 -3.046 -11.880 549 HA LEU 69 HA LEU 69 -4.395 -1.496 -9.624 550 HB2 LEU 69 HB2 LEU 69 -2.063 -1.520 -10.366 551 HB3 LEU 69 HB3 LEU 69 -2.522 -0.813 -11.918 552 HG LEU 69 HG LEU 69 -3.208 1.267 -10.757 553 HD11 LEU 69 HD11 LEU 69 -2.640 1.558 -8.387 554 HD12 LEU 69 HD12 LEU 69 -3.847 0.272 -8.620 555 HD13 LEU 69 HD13 LEU 69 -2.147 -0.150 -8.294 556 HD21 LEU 69 HD21 LEU 69 -0.918 1.986 -10.163 557 HD22 LEU 69 HD22 LEU 69 -0.402 0.285 -10.096 558 HD23 LEU 69 HD23 LEU 69 -0.915 0.997 -11.644 559 H GLU 70 H GLU 70 -4.642 -0.983 -13.154 560 HA GLU 70 HA GLU 70 -5.741 1.637 -12.961 561 HB2 GLU 70 HB2 GLU 70 -5.886 -0.464 -15.156 562 HB3 GLU 70 HB3 GLU 70 -6.531 1.160 -15.341 563 HG2 GLU 70 HG2 GLU 70 -3.642 0.482 -14.748 564 HG3 GLU 70 HG3 GLU 70 -4.298 0.891 -16.332 565 H ALA 71 H ALA 71 -7.253 -1.566 -13.050 566 HA ALA 71 HA ALA 71 -9.956 -0.619 -13.111 567 HB1 ALA 71 HB1 ALA 71 -10.528 -2.869 -12.256 568 HB2 ALA 71 HB2 ALA 71 -9.372 -2.952 -13.607 569 HB3 ALA 71 HB3 ALA 71 -8.806 -3.176 -11.936 570 H ALA 72 H ALA 72 -7.712 -1.347 -10.452 571 HA ALA 72 HA ALA 72 -9.599 -0.813 -8.362 572 HB1 ALA 72 HB1 ALA 72 -7.604 -0.646 -6.908 573 HB2 ALA 72 HB2 ALA 72 -7.531 -2.075 -7.968 574 HB3 ALA 72 HB3 ALA 72 -6.564 -0.632 -8.353 575 H ARG 73 H ARG 73 -7.399 1.223 -10.220 576 HA ARG 73 HA ARG 73 -7.691 3.574 -8.605 577 HB2 ARG 73 HB2 ARG 73 -6.986 3.198 -11.532 578 HB3 ARG 73 HB3 ARG 73 -6.972 4.761 -10.729 579 HG2 ARG 73 HG2 ARG 73 -5.250 3.965 -9.173 580 HG3 ARG 73 HG3 ARG 73 -5.269 2.373 -9.971 581 HD2 ARG 73 HD2 ARG 73 -3.447 3.574 -10.848 582 HD3 ARG 73 HD3 ARG 73 -4.709 3.561 -12.100 583 HE ARG 73 HE ARG 73 -4.784 5.896 -10.383 584 HH11 ARG 73 HH11 ARG 73 -3.374 4.470 -13.267 585 HH12 ARG 73 HH12 ARG 73 -3.000 6.013 -14.000 586 HH21 ARG 73 HH21 ARG 73 -4.293 7.894 -11.344 587 HH22 ARG 73 HH22 ARG 73 -3.519 7.952 -12.913 588 H SER 74 H SER 74 -9.480 2.303 -11.402 589 HA SER 74 HA SER 74 -11.302 4.591 -11.437 590 HB2 SER 74 HB2 SER 74 -12.448 3.393 -13.195 591 HB3 SER 74 HB3 SER 74 -10.717 3.308 -13.485 592 HG SER 74 HG SER 74 -12.518 1.360 -12.862 593 H GLY 75 H GLY 75 -11.095 1.507 -9.854 594 HA2 GLY 75 HA2 GLY 75 -12.406 0.720 -8.080 595 HA3 GLY 75 HA3 GLY 75 -13.452 2.118 -8.244 596 H GLY 76 H GLY 76 -12.567 -0.195 -10.800 597 HA2 GLY 76 HA2 GLY 76 -14.006 -1.963 -11.627 598 HA3 GLY 76 HA3 GLY 76 -15.380 -1.191 -10.856 599 HA PRO 77 HA PRO 77 -16.940 -1.504 -11.728 600 HB2 PRO 77 HB2 PRO 77 -18.542 -2.505 -13.710 601 HB3 PRO 77 HB3 PRO 77 -18.731 -0.857 -13.099 602 HG2 PRO 77 HG2 PRO 77 -17.235 -1.815 -15.577 603 HG3 PRO 77 HG3 PRO 77 -18.400 -0.495 -15.446 604 HD2 PRO 77 HD2 PRO 77 -15.711 -0.031 -15.374 605 HD3 PRO 77 HD3 PRO 77 -16.869 0.958 -14.399 606 H SER 78 H SER 78 -17.669 -3.935 -12.028 607 HA SER 78 HA SER 78 -15.405 -5.612 -12.365 608 HB2 SER 78 HB2 SER 78 -17.305 -6.327 -11.054 609 HB3 SER 78 HB3 SER 78 -18.377 -6.209 -12.442 610 HG SER 78 HG SER 78 -16.124 -7.886 -12.276 611 H PHE 79 H PHE 79 -14.554 -6.726 -14.017 612 HA PHE 79 HA PHE 79 -15.777 -6.217 -16.697 613 HB2 PHE 79 HB3 PHE 79 -12.854 -6.720 -16.009 614 HB3 PHE 79 HB2 PHE 79 -13.496 -6.391 -17.611 615 HD1 PHE 79 HD1 PHE 79 -11.999 -4.975 -14.770 616 HD2 PHE 79 HD2 PHE 79 -14.866 -4.142 -17.825 617 HE1 PHE 79 HE1 PHE 79 -11.694 -2.551 -14.393 618 HE2 PHE 79 HE2 PHE 79 -14.562 -1.717 -17.454 619 HZ PHE 79 HZ PHE 79 -12.975 -0.921 -15.735 620 H GLY 80 H GLY 80 -16.404 -8.427 -14.855 621 HA2 GLY 80 HA2 GLY 80 -17.121 -10.605 -15.436 622 HA3 GLY 80 HA3 GLY 80 -16.075 -10.575 -16.845 623 HA PRO 81 HA PRO 81 -14.051 -13.204 -13.728 624 HB2 PRO 81 HB2 PRO 81 -13.469 -15.335 -15.333 625 HB3 PRO 81 HB3 PRO 81 -15.089 -15.091 -14.669 626 HG2 PRO 81 HG2 PRO 81 -14.024 -14.357 -17.430 627 HG3 PRO 81 HG3 PRO 81 -15.523 -15.198 -17.023 628 HD2 PRO 81 HD2 PRO 81 -15.463 -12.504 -17.529 629 HD3 PRO 81 HD3 PRO 81 -16.621 -13.233 -16.345 Start of MODEL 16 1 HA SER 1 HA SER 1 -1.689 -14.844 -3.887 2 HB2 SER 1 HB2 SER 1 -0.408 -15.053 -5.903 3 HB3 SER 1 HB3 SER 1 -0.673 -16.671 -5.270 4 HG SER 1 HG SER 1 -2.079 -15.375 -7.334 5 H VAL 2 H VAL 2 -1.287 -13.175 -5.865 6 HA VAL 2 HA VAL 2 -4.001 -12.239 -6.696 7 HB VAL 2 HB VAL 2 -3.247 -9.918 -6.300 8 HG11 VAL 2 HG11 VAL 2 -3.263 -9.962 -3.854 9 HG12 VAL 2 HG12 VAL 2 -4.470 -11.070 -4.548 10 HG13 VAL 2 HG13 VAL 2 -2.949 -11.713 -3.883 11 HG21 VAL 2 HG21 VAL 2 -1.143 -9.514 -5.062 12 HG22 VAL 2 HG22 VAL 2 -0.768 -11.251 -5.137 13 HG23 VAL 2 HG23 VAL 2 -0.828 -10.288 -6.632 14 H LYS 3 H LYS 3 -4.018 -10.790 -8.546 15 HA LYS 3 HA LYS 3 -2.249 -11.692 -10.649 16 HB2 LYS 3 HB2 LYS 3 -4.581 -11.049 -11.108 17 HB3 LYS 3 HB3 LYS 3 -4.258 -9.405 -10.570 18 HG2 LYS 3 HG2 LYS 3 -2.710 -9.066 -12.438 19 HG3 LYS 3 HG3 LYS 3 -2.953 -10.739 -12.960 20 HD2 LYS 3 HD2 LYS 3 -5.329 -10.303 -13.370 21 HD3 LYS 3 HD3 LYS 3 -5.156 -8.653 -12.754 22 HE2 LYS 3 HE2 LYS 3 -3.572 -8.132 -14.575 23 HE3 LYS 3 HE3 LYS 3 -3.720 -9.781 -15.186 24 HZ1 LYS 3 HZ1 LYS 3 -5.123 -8.268 -16.381 25 HZ2 LYS 3 HZ2 LYS 3 -6.051 -9.366 -15.573 26 HZ3 LYS 3 HZ3 LYS 3 -5.913 -7.825 -15.003 27 H GLU 4 H GLU 4 -2.801 -8.393 -9.353 28 HA GLU 4 HA GLU 4 -0.063 -7.683 -10.252 29 HB2 GLU 4 HB2 GLU 4 -2.330 -5.941 -9.203 30 HB3 GLU 4 HB3 GLU 4 -0.774 -5.347 -9.767 31 HG2 GLU 4 HG2 GLU 4 -2.723 -6.894 -11.486 32 HG3 GLU 4 HG3 GLU 4 -2.640 -5.136 -11.405 33 H THR 5 H THR 5 1.517 -6.892 -8.916 34 HA THR 5 HA THR 5 1.014 -7.329 -6.001 35 HB THR 5 HB THR 5 3.353 -8.135 -5.809 36 HG1 THR 5 HG1 THR 5 4.555 -7.484 -7.444 37 HG21 THR 5 HG21 THR 5 3.043 -10.305 -6.934 38 HG22 THR 5 HG22 THR 5 1.534 -9.769 -6.157 39 HG23 THR 5 HG23 THR 5 1.733 -9.613 -7.918 40 H LYS 6 H LYS 6 1.410 -4.983 -8.157 41 HA LYS 6 HA LYS 6 3.765 -3.595 -7.435 42 HB2 LYS 6 HB2 LYS 6 2.419 -3.052 -9.435 43 HB3 LYS 6 HB3 LYS 6 1.107 -2.477 -8.414 44 HG2 LYS 6 HG2 LYS 6 2.518 -0.658 -7.573 45 HG3 LYS 6 HG3 LYS 6 3.879 -1.254 -8.535 46 HD2 LYS 6 HD2 LYS 6 2.606 -0.875 -10.607 47 HD3 LYS 6 HD3 LYS 6 1.213 -0.324 -9.663 48 HE2 LYS 6 HE2 LYS 6 2.546 1.547 -8.767 49 HE3 LYS 6 HE3 LYS 6 3.955 0.991 -9.672 50 HZ1 LYS 6 HZ1 LYS 6 2.814 2.750 -10.811 51 HZ2 LYS 6 HZ2 LYS 6 2.729 1.364 -11.701 52 HZ3 LYS 6 HZ3 LYS 6 1.412 1.886 -10.856 53 H LEU 7 H LEU 7 0.441 -3.221 -6.173 54 HA LEU 7 HA LEU 7 1.154 -1.054 -4.424 55 HB2 LEU 7 HB2 LEU 7 -1.219 -2.952 -4.360 56 HB3 LEU 7 HB3 LEU 7 -1.077 -1.474 -3.403 57 HG LEU 7 HG LEU 7 -1.279 -1.660 -6.428 58 HD11 LEU 7 HD11 LEU 7 -3.418 -0.513 -6.059 59 HD12 LEU 7 HD12 LEU 7 -3.367 -2.090 -5.236 60 HD13 LEU 7 HD13 LEU 7 -3.157 -0.589 -4.301 61 HD21 LEU 7 HD21 LEU 7 -1.305 0.811 -6.343 62 HD22 LEU 7 HD22 LEU 7 -1.013 0.755 -4.588 63 HD23 LEU 7 HD23 LEU 7 0.230 0.165 -5.716 64 H TYR 8 H TYR 8 1.037 -4.557 -4.072 65 HA TYR 8 HA TYR 8 1.385 -4.569 -1.207 66 HB2 TYR 8 HB2 TYR 8 1.961 -6.666 -3.337 67 HB3 TYR 8 HB3 TYR 8 2.130 -6.958 -1.612 68 HD1 TYR 8 HD1 TYR 8 -0.068 -7.049 -4.390 69 HD2 TYR 8 HD2 TYR 8 0.031 -6.480 -0.139 70 HE1 TYR 8 HE1 TYR 8 -2.464 -7.639 -4.254 71 HE2 TYR 8 HE2 TYR 8 -2.365 -7.070 -0.003 72 HH TYR 8 HH TYR 8 -4.238 -7.838 -2.926 73 H ASP 9 H ASP 9 3.589 -4.487 -3.964 74 HA ASP 9 HA ASP 9 5.980 -4.856 -2.381 75 HB2 ASP 9 HB2 ASP 9 5.490 -3.726 -5.160 76 HB3 ASP 9 HB3 ASP 9 7.096 -3.849 -4.454 77 H LEU 10 H LEU 10 4.101 -2.057 -3.464 78 HA LEU 10 HA LEU 10 5.935 -0.042 -2.635 79 HB2 LEU 10 HB2 LEU 10 2.912 -0.079 -2.876 80 HB3 LEU 10 HB3 LEU 10 3.819 1.373 -2.442 81 HG LEU 10 HG LEU 10 4.179 -0.169 -5.036 82 HD11 LEU 10 HD11 LEU 10 2.943 1.693 -6.055 83 HD12 LEU 10 HD12 LEU 10 1.947 0.808 -4.877 84 HD13 LEU 10 HD13 LEU 10 2.652 2.383 -4.440 85 HD21 LEU 10 HD21 LEU 10 5.424 1.860 -5.706 86 HD22 LEU 10 HD22 LEU 10 5.167 2.552 -4.087 87 HD23 LEU 10 HD23 LEU 10 6.167 1.093 -4.283 88 H LEU 11 H LEU 11 3.343 -1.753 -0.899 89 HA LEU 11 HA LEU 11 3.861 -0.282 1.571 90 HB2 LEU 11 HB2 LEU 11 2.193 -2.753 0.985 91 HB3 LEU 11 HB3 LEU 11 2.258 -1.940 2.552 92 HG LEU 11 HG LEU 11 1.191 -0.758 -0.037 93 HD11 LEU 11 HD11 LEU 11 -0.967 -0.870 1.129 94 HD12 LEU 11 HD12 LEU 11 -0.243 -2.482 0.929 95 HD13 LEU 11 HD13 LEU 11 -0.181 -1.667 2.510 96 HD21 LEU 11 HD21 LEU 11 0.518 1.135 1.404 97 HD22 LEU 11 HD22 LEU 11 1.327 0.366 2.792 98 HD23 LEU 11 HD23 LEU 11 2.286 0.929 1.403 99 H GLY 12 H GLY 12 4.911 -3.257 0.065 100 HA2 GLY 12 HA2 GLY 12 6.744 -4.591 0.660 101 HA3 GLY 12 HA3 GLY 12 6.988 -3.607 2.090 102 H VAL 13 H VAL 13 4.109 -5.428 0.983 103 HA VAL 13 HA VAL 13 4.285 -7.110 3.424 104 HB VAL 13 HB VAL 13 2.917 -5.107 4.000 105 HG11 VAL 13 HG11 VAL 13 0.752 -4.755 2.917 106 HG12 VAL 13 HG12 VAL 13 2.106 -4.557 1.778 107 HG13 VAL 13 HG13 VAL 13 1.127 -6.043 1.748 108 HG21 VAL 13 HG21 VAL 13 0.936 -6.352 4.807 109 HG22 VAL 13 HG22 VAL 13 1.327 -7.688 3.697 110 HG23 VAL 13 HG23 VAL 13 2.428 -7.294 5.039 111 H SER 14 H SER 14 3.379 -9.109 3.247 112 HA SER 14 HA SER 14 3.015 -10.156 0.606 113 HB2 SER 14 HB2 SER 14 3.828 -11.565 2.397 114 HB3 SER 14 HB3 SER 14 2.375 -11.290 3.346 115 HG SER 14 HG SER 14 1.686 -12.962 2.392 116 HA PRO 15 HA PRO 15 -1.225 -9.341 -0.084 117 HB2 PRO 15 HB2 PRO 15 -1.772 -11.302 -1.940 118 HB3 PRO 15 HB3 PRO 15 -0.818 -9.865 -2.326 119 HG2 PRO 15 HG2 PRO 15 0.151 -12.650 -1.550 120 HG3 PRO 15 HG3 PRO 15 0.692 -11.639 -2.895 121 HD2 PRO 15 HD2 PRO 15 2.089 -11.728 -0.569 122 HD3 PRO 15 HD3 PRO 15 1.932 -10.187 -1.502 123 H SER 16 H SER 16 0.053 -12.279 1.196 124 HA SER 16 HA SER 16 -2.512 -13.535 1.780 125 HB2 SER 16 HB2 SER 16 -1.222 -15.116 3.061 126 HB3 SER 16 HB3 SER 16 -0.375 -14.801 1.554 127 HG SER 16 HG SER 16 0.290 -14.205 4.135 128 H ALA 17 H ALA 17 -0.845 -10.875 3.025 129 HA ALA 17 HA ALA 17 -1.533 -11.186 5.812 130 HB1 ALA 17 HB1 ALA 17 -0.922 -8.795 5.984 131 HB2 ALA 17 HB2 ALA 17 0.305 -9.726 5.093 132 HB3 ALA 17 HB3 ALA 17 -0.844 -8.695 4.211 133 H ASN 18 H ASN 18 -3.157 -10.267 7.016 134 HA ASN 18 HA ASN 18 -5.641 -9.748 5.536 135 HB2 ASN 18 HB2 ASN 18 -6.719 -9.791 7.691 136 HB3 ASN 18 HB3 ASN 18 -5.602 -11.146 7.597 137 HD21 ASN 18 HD21 ASN 18 -4.651 -10.134 10.810 138 HD22 ASN 18 HD22 ASN 18 -5.572 -11.257 9.866 139 H GLU 19 H GLU 19 -7.037 -7.960 6.893 140 HA GLU 19 HA GLU 19 -6.120 -5.600 5.597 141 HB2 GLU 19 HB2 GLU 19 -8.281 -6.042 7.691 142 HB3 GLU 19 HB3 GLU 19 -8.006 -4.493 6.905 143 HG2 GLU 19 HG2 GLU 19 -8.506 -5.466 4.728 144 HG3 GLU 19 HG3 GLU 19 -8.686 -7.061 5.457 145 H GLN 20 H GLN 20 -5.987 -6.639 8.985 146 HA GLN 20 HA GLN 20 -5.066 -4.123 10.015 147 HB2 GLN 20 HB2 GLN 20 -4.845 -6.962 11.084 148 HB3 GLN 20 HB3 GLN 20 -4.309 -5.548 11.980 149 HG2 GLN 20 HG2 GLN 20 -6.563 -4.654 12.014 150 HG3 GLN 20 HG3 GLN 20 -7.135 -6.015 11.007 151 HE21 GLN 20 HE21 GLN 20 -7.823 -6.581 14.679 152 HE22 GLN 20 HE22 GLN 20 -8.117 -5.246 13.614 153 H GLU 21 H GLU 21 -3.396 -7.034 8.852 154 HA GLU 21 HA GLU 21 -0.767 -6.060 9.575 155 HB2 GLU 21 HB2 GLU 21 -1.689 -8.268 7.693 156 HB3 GLU 21 HB3 GLU 21 0.001 -7.937 8.045 157 HG2 GLU 21 HG2 GLU 21 -2.101 -8.748 10.064 158 HG3 GLU 21 HG3 GLU 21 -0.869 -9.797 9.366 159 H LEU 22 H LEU 22 -2.779 -5.935 6.668 160 HA LEU 22 HA LEU 22 -0.833 -4.784 4.931 161 HB2 LEU 22 HB2 LEU 22 -3.854 -4.528 5.048 162 HB3 LEU 22 HB3 LEU 22 -2.872 -3.834 3.754 163 HG LEU 22 HG LEU 22 -2.994 -6.797 4.416 164 HD11 LEU 22 HD11 LEU 22 -4.384 -6.968 2.401 165 HD12 LEU 22 HD12 LEU 22 -5.157 -5.965 3.651 166 HD13 LEU 22 HD13 LEU 22 -4.379 -5.194 2.247 167 HD21 LEU 22 HD21 LEU 22 -1.880 -7.016 2.220 168 HD22 LEU 22 HD22 LEU 22 -1.840 -5.243 2.064 169 HD23 LEU 22 HD23 LEU 22 -0.897 -6.045 3.342 170 H LYS 23 H LYS 23 -3.105 -3.341 7.257 171 HA LYS 23 HA LYS 23 -2.447 -0.618 6.732 172 HB2 LYS 23 HB2 LYS 23 -4.397 -1.327 8.091 173 HB3 LYS 23 HB3 LYS 23 -3.314 -1.922 9.344 174 HG2 LYS 23 HG2 LYS 23 -2.504 0.341 9.774 175 HG3 LYS 23 HG3 LYS 23 -3.495 0.971 8.450 176 HD2 LYS 23 HD2 LYS 23 -5.541 0.219 9.618 177 HD3 LYS 23 HD3 LYS 23 -4.552 -0.421 10.940 178 HE2 LYS 23 HE2 LYS 23 -3.686 1.851 11.394 179 HE3 LYS 23 HE3 LYS 23 -4.668 2.492 10.074 180 HZ1 LYS 23 HZ1 LYS 23 -5.728 2.794 12.188 181 HZ2 LYS 23 HZ2 LYS 23 -6.627 1.772 11.258 182 HZ3 LYS 23 HZ3 LYS 23 -5.709 1.174 12.491 183 H LYS 24 H LYS 24 -1.026 -2.997 8.971 184 HA LYS 24 HA LYS 24 0.877 -1.282 10.175 185 HB2 LYS 24 HB2 LYS 24 0.963 -4.259 9.565 186 HB3 LYS 24 HB3 LYS 24 2.210 -3.435 10.490 187 HG2 LYS 24 HG2 LYS 24 0.560 -2.791 12.189 188 HG3 LYS 24 HG3 LYS 24 -0.723 -3.566 11.248 189 HD2 LYS 24 HD2 LYS 24 0.510 -5.739 11.436 190 HD3 LYS 24 HD3 LYS 24 1.697 -4.936 12.476 191 HE2 LYS 24 HE2 LYS 24 -0.062 -4.396 14.105 192 HE3 LYS 24 HE3 LYS 24 -1.281 -5.125 13.057 193 HZ1 LYS 24 HZ1 LYS 24 -0.591 -6.622 14.781 194 HZ2 LYS 24 HZ2 LYS 24 -0.159 -7.230 13.310 195 HZ3 LYS 24 HZ3 LYS 24 0.981 -6.549 14.289 196 H GLY 25 H GLY 25 1.044 -3.155 7.157 197 HA2 GLY 25 HA2 GLY 25 3.715 -2.575 6.430 198 HA3 GLY 25 HA3 GLY 25 2.406 -2.877 5.302 199 H TYR 26 H TYR 26 0.698 -0.750 5.792 200 HA TYR 26 HA TYR 26 1.931 1.397 4.375 201 HB2 TYR 26 HB2 TYR 26 -0.482 1.045 4.291 202 HB3 TYR 26 HB3 TYR 26 -0.623 1.297 6.024 203 HD1 TYR 26 HD1 TYR 26 0.851 3.108 3.081 204 HD2 TYR 26 HD2 TYR 26 -1.470 3.320 6.684 205 HE1 TYR 26 HE1 TYR 26 0.482 5.522 2.703 206 HE2 TYR 26 HE2 TYR 26 -1.838 5.734 6.305 207 HH TYR 26 HH TYR 26 -0.725 7.324 3.356 208 H ARG 27 H ARG 27 1.183 0.972 7.831 209 HA ARG 27 HA ARG 27 1.925 3.558 8.688 210 HB2 ARG 27 HB2 ARG 27 2.065 0.877 10.096 211 HB3 ARG 27 HB3 ARG 27 2.414 2.400 10.900 212 HG2 ARG 27 HG2 ARG 27 0.149 3.186 10.500 213 HG3 ARG 27 HG3 ARG 27 -0.220 1.708 9.577 214 HD2 ARG 27 HD2 ARG 27 -1.096 1.483 11.773 215 HD3 ARG 27 HD3 ARG 27 0.301 0.393 11.606 216 HE ARG 27 HE ARG 27 1.054 2.945 12.692 217 HH11 ARG 27 HH11 ARG 27 -0.408 -0.146 13.500 218 HH12 ARG 27 HH12 ARG 27 0.052 -0.064 15.185 219 HH21 ARG 27 HH21 ARG 27 1.646 3.038 14.882 220 HH22 ARG 27 HH22 ARG 27 1.214 1.738 15.969 221 H LYS 28 H LYS 28 3.892 0.618 8.267 222 HA LYS 28 HA LYS 28 6.331 1.781 9.235 223 HB2 LYS 28 HB2 LYS 28 5.781 -0.571 7.388 224 HB3 LYS 28 HB3 LYS 28 7.397 -0.124 7.917 225 HG2 LYS 28 HG2 LYS 28 6.757 -0.497 10.259 226 HG3 LYS 28 HG3 LYS 28 5.113 -0.906 9.751 227 HD2 LYS 28 HD2 LYS 28 6.003 -2.797 8.414 228 HD3 LYS 28 HD3 LYS 28 7.642 -2.394 8.950 229 HE2 LYS 28 HE2 LYS 28 6.981 -2.793 11.295 230 HE3 LYS 28 HE3 LYS 28 5.337 -3.173 10.775 231 HZ1 LYS 28 HZ1 LYS 28 6.630 -5.147 11.123 232 HZ2 LYS 28 HZ2 LYS 28 6.221 -5.023 9.530 233 HZ3 LYS 28 HZ3 LYS 28 7.756 -4.670 10.016 234 H ALA 29 H ALA 29 5.000 1.371 5.948 235 HA ALA 29 HA ALA 29 7.222 2.623 4.641 236 HB1 ALA 29 HB1 ALA 29 5.700 2.782 2.697 237 HB2 ALA 29 HB2 ALA 29 5.649 1.167 3.445 238 HB3 ALA 29 HB3 ALA 29 4.334 2.329 3.741 239 H ALA 30 H ALA 30 4.232 3.852 6.049 240 HA ALA 30 HA ALA 30 4.386 6.479 4.949 241 HB1 ALA 30 HB1 ALA 30 2.864 7.109 6.793 242 HB2 ALA 30 HB2 ALA 30 2.347 5.603 5.997 243 HB3 ALA 30 HB3 ALA 30 3.171 5.540 7.572 244 H LEU 31 H LEU 31 5.692 5.078 7.948 245 HA LEU 31 HA LEU 31 6.943 7.486 8.867 246 HB2 LEU 31 HB2 LEU 31 7.576 4.553 9.322 247 HB3 LEU 31 HB3 LEU 31 8.438 5.866 10.130 248 HG LEU 31 HG LEU 31 5.450 5.369 10.373 249 HD11 LEU 31 HD11 LEU 31 5.998 4.494 12.600 250 HD12 LEU 31 HD12 LEU 31 6.741 3.519 11.310 251 HD13 LEU 31 HD13 LEU 31 7.733 4.667 12.241 252 HD21 LEU 31 HD21 LEU 31 5.655 6.957 12.255 253 HD22 LEU 31 HD22 LEU 31 7.385 7.166 11.893 254 HD23 LEU 31 HD23 LEU 31 6.159 7.712 10.724 255 H LYS 32 H LYS 32 8.023 4.851 6.740 256 HA LYS 32 HA LYS 32 10.729 5.635 6.485 257 HB2 LYS 32 HB2 LYS 32 9.822 3.485 5.648 258 HB3 LYS 32 HB3 LYS 32 8.919 4.341 4.405 259 HG2 LYS 32 HG2 LYS 32 11.004 5.091 3.364 260 HG3 LYS 32 HG3 LYS 32 11.943 4.310 4.644 261 HD2 LYS 32 HD2 LYS 32 11.011 2.113 3.989 262 HD3 LYS 32 HD3 LYS 32 10.072 2.894 2.709 263 HE2 LYS 32 HE2 LYS 32 12.160 3.669 1.640 264 HE3 LYS 32 HE3 LYS 32 13.105 2.905 2.921 265 HZ1 LYS 32 HZ1 LYS 32 12.976 1.527 0.979 266 HZ2 LYS 32 HZ2 LYS 32 12.210 0.786 2.238 267 HZ3 LYS 32 HZ3 LYS 32 11.329 1.500 1.041 268 H TYR 33 H TYR 33 7.850 6.678 4.669 269 HA TYR 33 HA TYR 33 9.570 8.690 3.288 270 HB2 TYR 33 HB2 TYR 33 6.831 7.619 2.496 271 HB3 TYR 33 HB3 TYR 33 7.768 8.800 1.593 272 HD1 TYR 33 HD1 TYR 33 6.926 5.424 1.824 273 HD2 TYR 33 HD2 TYR 33 10.270 7.996 1.041 274 HE1 TYR 33 HE1 TYR 33 8.048 3.596 0.595 275 HE2 TYR 33 HE2 TYR 33 11.390 6.168 -0.187 276 HH TYR 33 HH TYR 33 11.204 4.101 -0.979 277 H HIS 34 H HIS 34 8.442 8.875 6.028 278 HA HIS 34 HA HIS 34 6.132 10.588 6.004 279 HB2 HIS 34 HB2 HIS 34 7.126 9.230 7.968 280 HB3 HIS 34 HB3 HIS 34 8.254 10.563 8.163 281 HD2 HIS 34 HD2 HIS 34 4.732 9.600 9.239 282 HE1 HIS 34 HE1 HIS 34 5.116 13.786 9.940 283 HE2 HIS 34 HE2 HIS 34 3.703 11.708 10.366 284 HA PRO 35 HA PRO 35 7.715 14.214 4.332 285 HB2 PRO 35 HB2 PRO 35 5.718 15.474 6.271 286 HB3 PRO 35 HB3 PRO 35 5.992 15.852 4.564 287 HG2 PRO 35 HG2 PRO 35 3.915 14.315 5.188 288 HG3 PRO 35 HG3 PRO 35 4.918 13.863 3.806 289 HD2 PRO 35 HD2 PRO 35 4.890 12.716 6.616 290 HD3 PRO 35 HD3 PRO 35 5.095 11.863 5.033 291 H ASP 36 H ASP 36 7.368 13.819 7.836 292 HA ASP 36 HA ASP 36 9.027 16.213 8.356 293 HB2 ASP 36 HB2 ASP 36 7.478 14.357 10.205 294 HB3 ASP 36 HB3 ASP 36 8.455 15.707 10.767 295 H LYS 37 H LYS 37 9.767 13.240 7.454 296 HA LYS 37 HA LYS 37 12.038 12.995 9.379 297 HB2 LYS 37 HB2 LYS 37 10.856 10.931 7.480 298 HB3 LYS 37 HB3 LYS 37 12.259 10.668 8.505 299 HG2 LYS 37 HG2 LYS 37 9.479 11.325 9.526 300 HG3 LYS 37 HG3 LYS 37 10.170 9.701 9.418 301 HD2 LYS 37 HD2 LYS 37 12.031 10.431 10.922 302 HD3 LYS 37 HD3 LYS 37 11.243 12.007 11.084 303 HE2 LYS 37 HE2 LYS 37 9.222 10.876 12.000 304 HE3 LYS 37 HE3 LYS 37 10.058 9.326 11.892 305 HZ1 LYS 37 HZ1 LYS 37 10.199 10.254 14.085 306 HZ2 LYS 37 HZ2 LYS 37 11.705 10.175 13.417 307 HZ3 LYS 37 HZ3 LYS 37 10.922 11.622 13.518 308 HA PRO 38 HA PRO 38 15.047 14.189 6.551 309 HB2 PRO 38 HB2 PRO 38 16.412 11.527 7.107 310 HB3 PRO 38 HB3 PRO 38 17.100 13.156 7.138 311 HG2 PRO 38 HG2 PRO 38 16.505 11.999 9.458 312 HG3 PRO 38 HG3 PRO 38 16.084 13.698 9.223 313 HD2 PRO 38 HD2 PRO 38 14.304 11.237 9.037 314 HD3 PRO 38 HD3 PRO 38 13.952 12.846 9.788 315 H THR 39 H THR 39 13.768 10.900 6.309 316 HA THR 39 HA THR 39 14.612 10.733 3.463 317 HB THR 39 HB THR 39 13.943 8.339 3.629 318 HG1 THR 39 HG1 THR 39 12.471 8.099 5.172 319 HG21 THR 39 HG21 THR 39 15.731 7.634 5.171 320 HG22 THR 39 HG22 THR 39 16.258 9.010 4.173 321 HG23 THR 39 HG23 THR 39 15.783 9.270 5.866 322 H GLY 40 H GLY 40 12.328 12.361 4.668 323 HA2 GLY 40 HA2 GLY 40 9.833 11.220 3.925 324 HA3 GLY 40 HA3 GLY 40 10.167 12.937 4.058 325 H ASP 41 H ASP 41 8.643 11.236 2.059 326 HA ASP 41 HA ASP 41 9.652 12.604 -0.334 327 HB2 ASP 41 HB2 ASP 41 10.945 10.468 -0.298 328 HB3 ASP 41 HB3 ASP 41 9.435 9.567 -0.270 329 H THR 42 H THR 42 7.848 13.642 -0.859 330 HA THR 42 HA THR 42 5.250 12.783 -0.091 331 HB THR 42 HB THR 42 6.075 14.773 -2.250 332 HG1 THR 42 HG1 THR 42 5.362 16.192 -0.399 333 HG21 THR 42 HG21 THR 42 3.797 15.674 -1.980 334 HG22 THR 42 HG22 THR 42 3.751 13.989 -2.548 335 HG23 THR 42 HG23 THR 42 3.407 14.362 -0.844 336 H GLU 43 H GLU 43 7.008 12.474 -3.164 337 HA GLU 43 HA GLU 43 4.849 11.490 -4.718 338 HB2 GLU 43 HB2 GLU 43 7.001 12.238 -5.683 339 HB3 GLU 43 HB3 GLU 43 7.823 10.872 -4.943 340 HG2 GLU 43 HG2 GLU 43 6.534 9.315 -6.312 341 HG3 GLU 43 HG3 GLU 43 5.630 10.655 -7.017 342 H LYS 44 H LYS 44 7.367 9.696 -2.912 343 HA LYS 44 HA LYS 44 6.214 7.122 -3.526 344 HB2 LYS 44 HB2 LYS 44 8.181 7.962 -1.359 345 HB3 LYS 44 HB3 LYS 44 7.773 6.297 -1.748 346 HG2 LYS 44 HG2 LYS 44 9.123 8.288 -3.594 347 HG3 LYS 44 HG3 LYS 44 9.884 6.920 -2.769 348 HD2 LYS 44 HD2 LYS 44 7.572 6.593 -4.708 349 HD3 LYS 44 HD3 LYS 44 9.266 6.554 -5.215 350 HE2 LYS 44 HE2 LYS 44 9.669 4.686 -3.606 351 HE3 LYS 44 HE3 LYS 44 7.950 4.696 -3.201 352 HZ1 LYS 44 HZ1 LYS 44 8.462 3.041 -4.842 353 HZ2 LYS 44 HZ2 LYS 44 7.467 4.183 -5.495 354 HZ3 LYS 44 HZ3 LYS 44 9.072 4.174 -5.873 355 H PHE 45 H PHE 45 5.850 9.433 -0.887 356 HA PHE 45 HA PHE 45 4.367 7.751 0.877 357 HB2 PHE 45 HB3 PHE 45 5.347 10.040 1.396 358 HB3 PHE 45 HB2 PHE 45 4.010 10.747 0.502 359 HD1 PHE 45 HD1 PHE 45 1.788 10.810 1.411 360 HD2 PHE 45 HD2 PHE 45 4.954 8.863 3.517 361 HE1 PHE 45 HE1 PHE 45 0.388 10.742 3.446 362 HE2 PHE 45 HE2 PHE 45 3.555 8.790 5.556 363 HZ PHE 45 HZ PHE 45 1.273 9.731 5.520 364 H LYS 46 H LYS 46 3.366 9.845 -1.822 365 HA LYS 46 HA LYS 46 0.559 9.394 -1.553 366 HB2 LYS 46 HB2 LYS 46 1.536 11.181 -2.969 367 HB3 LYS 46 HB3 LYS 46 2.193 9.968 -4.057 368 HG2 LYS 46 HG2 LYS 46 -0.064 9.245 -4.668 369 HG3 LYS 46 HG3 LYS 46 -0.761 10.395 -3.518 370 HD2 LYS 46 HD2 LYS 46 0.246 12.271 -4.768 371 HD3 LYS 46 HD3 LYS 46 0.971 11.129 -5.909 372 HE2 LYS 46 HE2 LYS 46 -1.283 10.345 -6.559 373 HE3 LYS 46 HE3 LYS 46 -2.010 11.482 -5.420 374 HZ1 LYS 46 HZ1 LYS 46 -1.994 12.348 -7.642 375 HZ2 LYS 46 HZ2 LYS 46 -1.030 13.276 -6.677 376 HZ3 LYS 46 HZ3 LYS 46 -0.353 12.214 -7.741 377 H GLU 47 H GLU 47 3.096 7.632 -3.311 378 HA GLU 47 HA GLU 47 1.381 5.874 -4.734 379 HB2 GLU 47 HB2 GLU 47 4.237 5.559 -3.744 380 HB3 GLU 47 HB3 GLU 47 3.437 4.345 -4.731 381 HG2 GLU 47 HG2 GLU 47 3.124 5.994 -6.525 382 HG3 GLU 47 HG3 GLU 47 3.901 7.226 -5.535 383 H ILE 48 H ILE 48 2.922 5.531 -1.534 384 HA ILE 48 HA ILE 48 1.821 2.882 -1.114 385 HB ILE 48 HB ILE 48 2.680 3.134 1.195 386 HG12 ILE 48 HG12 ILE 48 3.428 5.961 0.424 387 HG13 ILE 48 HG13 ILE 48 2.030 5.546 1.403 388 HG21 ILE 48 HG21 ILE 48 5.054 3.469 0.637 389 HG22 ILE 48 HG22 ILE 48 4.240 2.485 -0.600 390 HG23 ILE 48 HG23 ILE 48 4.589 4.200 -0.918 391 HD11 ILE 48 HD11 ILE 48 3.903 6.231 2.794 392 HD12 ILE 48 HD12 ILE 48 3.498 4.523 3.087 393 HD13 ILE 48 HD13 ILE 48 4.914 4.945 2.096 394 H SER 49 H SER 49 0.747 6.148 -0.536 395 HA SER 49 HA SER 49 -1.367 5.469 1.312 396 HB2 SER 49 HB2 SER 49 -0.975 7.819 -0.567 397 HB3 SER 49 HB3 SER 49 -2.294 7.700 0.588 398 HG SER 49 HG SER 49 0.454 7.912 1.022 399 H GLU 50 H GLU 50 -1.185 5.843 -2.230 400 HA GLU 50 HA GLU 50 -3.896 5.123 -2.766 401 HB2 GLU 50 HB2 GLU 50 -1.329 4.847 -4.363 402 HB3 GLU 50 HB3 GLU 50 -2.879 4.313 -4.997 403 HG2 GLU 50 HG2 GLU 50 -3.770 6.581 -4.797 404 HG3 GLU 50 HG3 GLU 50 -2.252 7.132 -4.095 405 H ALA 51 H ALA 51 -0.938 3.157 -2.430 406 HA ALA 51 HA ALA 51 -2.119 0.640 -2.943 407 HB1 ALA 51 HB1 ALA 51 -0.231 -0.293 -1.646 408 HB2 ALA 51 HB2 ALA 51 0.308 0.971 -2.779 409 HB3 ALA 51 HB3 ALA 51 0.152 1.337 -1.044 410 H PHE 52 H PHE 52 -1.787 2.437 0.119 411 HA PHE 52 HA PHE 52 -2.975 0.473 1.791 412 HB2 PHE 52 HB3 PHE 52 -1.787 2.366 2.741 413 HB3 PHE 52 HB2 PHE 52 -2.906 3.505 2.008 414 HD1 PHE 52 HD1 PHE 52 -2.916 0.577 4.335 415 HD2 PHE 52 HD2 PHE 52 -4.625 4.349 3.286 416 HE1 PHE 52 HE1 PHE 52 -4.320 0.504 6.369 417 HE2 PHE 52 HE2 PHE 52 -6.029 4.282 5.319 418 HZ PHE 52 HZ PHE 52 -5.877 2.357 6.861 419 H GLU 53 H GLU 53 -4.473 3.351 0.263 420 HA GLU 53 HA GLU 53 -7.075 2.907 1.251 421 HB2 GLU 53 HB2 GLU 53 -6.384 5.016 0.191 422 HB3 GLU 53 HB3 GLU 53 -6.203 4.209 -1.360 423 HG2 GLU 53 HG2 GLU 53 -8.624 3.711 -1.372 424 HG3 GLU 53 HG3 GLU 53 -8.794 4.558 0.165 425 H ILE 54 H ILE 54 -5.641 1.873 -1.856 426 HA ILE 54 HA ILE 54 -8.016 0.621 -2.829 427 HB ILE 54 HB ILE 54 -5.079 0.233 -3.517 428 HG12 ILE 54 HG12 ILE 54 -7.294 1.524 -5.116 429 HG13 ILE 54 HG13 ILE 54 -6.252 2.418 -4.021 430 HG21 ILE 54 HG21 ILE 54 -5.858 -1.016 -5.493 431 HG22 ILE 54 HG22 ILE 54 -6.306 -1.854 -3.988 432 HG23 ILE 54 HG23 ILE 54 -7.531 -0.932 -4.892 433 HD11 ILE 54 HD11 ILE 54 -5.465 2.590 -6.315 434 HD12 ILE 54 HD12 ILE 54 -4.279 1.722 -5.310 435 HD13 ILE 54 HD13 ILE 54 -5.335 0.818 -6.422 436 H LEU 55 H LEU 55 -5.272 -0.588 -0.932 437 HA LEU 55 HA LEU 55 -6.348 -3.330 -1.024 438 HB2 LEU 55 HB2 LEU 55 -3.909 -2.160 0.364 439 HB3 LEU 55 HB3 LEU 55 -4.329 -3.876 0.330 440 HG LEU 55 HG LEU 55 -3.620 -2.181 -2.092 441 HD11 LEU 55 HD11 LEU 55 -1.563 -3.521 -2.103 442 HD12 LEU 55 HD12 LEU 55 -1.720 -2.572 -0.607 443 HD13 LEU 55 HD13 LEU 55 -2.072 -4.315 -0.596 444 HD21 LEU 55 HD21 LEU 55 -3.623 -4.355 -3.270 445 HD22 LEU 55 HD22 LEU 55 -4.162 -5.163 -1.778 446 HD23 LEU 55 HD23 LEU 55 -5.229 -3.992 -2.591 447 H ASN 56 H ASN 56 -6.837 -0.563 0.822 448 HA ASN 56 HA ASN 56 -7.515 -1.996 3.294 449 HB2 ASN 56 HB2 ASN 56 -6.715 0.355 3.324 450 HB3 ASN 56 HB3 ASN 56 -8.147 0.846 2.429 451 HD21 ASN 56 HD21 ASN 56 -9.956 1.353 5.315 452 HD22 ASN 56 HD22 ASN 56 -9.571 1.797 3.686 453 H ASP 57 H ASP 57 -9.419 -0.120 0.905 454 HA ASP 57 HA ASP 57 -11.943 -1.095 1.785 455 HB2 ASP 57 HB2 ASP 57 -11.612 0.902 0.317 456 HB3 ASP 57 HB3 ASP 57 -11.151 -0.162 -1.003 457 HA PRO 58 HA PRO 58 -11.479 -5.321 0.672 458 HB2 PRO 58 HB2 PRO 58 -14.513 -5.080 0.891 459 HB3 PRO 58 HB3 PRO 58 -13.457 -6.357 1.511 460 HG2 PRO 58 HG2 PRO 58 -14.323 -4.514 3.217 461 HG3 PRO 58 HG3 PRO 58 -12.627 -5.003 3.287 462 HD2 PRO 58 HD2 PRO 58 -13.859 -2.516 2.052 463 HD3 PRO 58 HD3 PRO 58 -12.319 -2.685 2.988 464 H GLN 59 H GLN 59 -13.868 -3.117 -0.787 465 HA GLN 59 HA GLN 59 -14.451 -4.782 -3.063 466 HB2 GLN 59 HB2 GLN 59 -15.940 -2.946 -2.230 467 HB3 GLN 59 HB3 GLN 59 -14.753 -1.766 -2.767 468 HG2 GLN 59 HG2 GLN 59 -16.512 -1.914 -4.385 469 HG3 GLN 59 HG3 GLN 59 -15.022 -2.598 -5.092 470 HE21 GLN 59 HE21 GLN 59 -16.671 -5.481 -6.054 471 HE22 GLN 59 HE22 GLN 59 -15.522 -4.229 -6.393 472 H LYS 60 H LYS 60 -12.227 -2.053 -2.522 473 HA LYS 60 HA LYS 60 -11.312 -2.021 -5.271 474 HB2 LYS 60 HB2 LYS 60 -10.206 -0.796 -2.717 475 HB3 LYS 60 HB3 LYS 60 -9.465 -0.563 -4.295 476 HG2 LYS 60 HG2 LYS 60 -11.536 0.487 -5.123 477 HG3 LYS 60 HG3 LYS 60 -12.285 0.254 -3.536 478 HD2 LYS 60 HD2 LYS 60 -10.530 1.658 -2.500 479 HD3 LYS 60 HD3 LYS 60 -9.781 1.890 -4.085 480 HE2 LYS 60 HE2 LYS 60 -11.845 2.975 -4.906 481 HE3 LYS 60 HE3 LYS 60 -12.604 2.734 -3.332 482 HZ1 LYS 60 HZ1 LYS 60 -11.715 4.936 -3.554 483 HZ2 LYS 60 HZ2 LYS 60 -10.907 4.128 -2.365 484 HZ3 LYS 60 HZ3 LYS 60 -10.198 4.355 -3.836 485 H ARG 61 H ARG 61 -10.220 -3.547 -2.279 486 HA ARG 61 HA ARG 61 -7.700 -4.468 -3.271 487 HB2 ARG 61 HB2 ARG 61 -8.295 -4.443 -0.874 488 HB3 ARG 61 HB3 ARG 61 -9.508 -5.684 -1.153 489 HG2 ARG 61 HG2 ARG 61 -7.848 -7.324 -1.656 490 HG3 ARG 61 HG3 ARG 61 -6.564 -6.094 -1.710 491 HD2 ARG 61 HD2 ARG 61 -6.446 -7.280 0.354 492 HD3 ARG 61 HD3 ARG 61 -6.988 -5.615 0.665 493 HE ARG 61 HE ARG 61 -8.723 -8.028 0.698 494 HH11 ARG 61 HH11 ARG 61 -8.031 -4.716 1.643 495 HH12 ARG 61 HH12 ARG 61 -9.387 -4.615 2.745 496 HH21 ARG 61 HH21 ARG 61 -10.480 -7.885 2.129 497 HH22 ARG 61 HH22 ARG 61 -10.773 -6.408 3.019 498 H GLU 62 H GLU 62 -10.939 -5.962 -3.190 499 HA GLU 62 HA GLU 62 -10.178 -8.439 -4.377 500 HB2 GLU 62 HB2 GLU 62 -12.350 -8.069 -3.242 501 HB3 GLU 62 HB3 GLU 62 -12.839 -6.964 -4.521 502 HG2 GLU 62 HG2 GLU 62 -13.898 -9.049 -4.919 503 HG3 GLU 62 HG3 GLU 62 -12.655 -8.844 -6.151 504 H ILE 63 H ILE 63 -11.350 -5.392 -5.815 505 HA ILE 63 HA ILE 63 -11.339 -6.294 -8.517 506 HB ILE 63 HB ILE 63 -11.018 -3.526 -7.296 507 HG12 ILE 63 HG12 ILE 63 -13.342 -4.741 -8.800 508 HG13 ILE 63 HG13 ILE 63 -13.188 -4.786 -7.052 509 HG21 ILE 63 HG21 ILE 63 -11.404 -2.640 -9.562 510 HG22 ILE 63 HG22 ILE 63 -9.895 -3.577 -9.492 511 HG23 ILE 63 HG23 ILE 63 -11.351 -4.292 -10.221 512 HD11 ILE 63 HD11 ILE 63 -14.628 -2.959 -7.758 513 HD12 ILE 63 HD12 ILE 63 -13.156 -2.331 -6.977 514 HD13 ILE 63 HD13 ILE 63 -13.315 -2.284 -8.749 515 H TYR 64 H TYR 64 -8.820 -4.754 -6.527 516 HA TYR 64 HA TYR 64 -6.861 -4.557 -8.591 517 HB2 TYR 64 HB2 TYR 64 -6.665 -3.349 -6.454 518 HB3 TYR 64 HB3 TYR 64 -6.513 -4.869 -5.583 519 HD1 TYR 64 HD1 TYR 64 -4.881 -2.826 -8.249 520 HD2 TYR 64 HD2 TYR 64 -4.423 -5.822 -5.211 521 HE1 TYR 64 HE1 TYR 64 -2.429 -2.752 -8.545 522 HE2 TYR 64 HE2 TYR 64 -1.971 -5.748 -5.507 523 HH TYR 64 HH TYR 64 -0.477 -3.654 -7.958 524 H ASP 65 H ASP 65 -7.404 -7.088 -6.126 525 HA ASP 65 HA ASP 65 -5.186 -8.693 -6.903 526 HB2 ASP 65 HB2 ASP 65 -7.798 -9.439 -5.531 527 HB3 ASP 65 HB3 ASP 65 -6.440 -10.541 -5.715 528 H GLN 66 H GLN 66 -8.524 -8.547 -8.052 529 HA GLN 66 HA GLN 66 -8.126 -10.911 -9.763 530 HB2 GLN 66 HB2 GLN 66 -10.485 -9.026 -9.382 531 HB3 GLN 66 HB3 GLN 66 -10.490 -10.386 -10.496 532 HG2 GLN 66 HG2 GLN 66 -10.087 -10.586 -7.504 533 HG3 GLN 66 HG3 GLN 66 -11.609 -10.904 -8.384 534 HE21 GLN 66 HE21 GLN 66 -9.301 -13.960 -7.688 535 HE22 GLN 66 HE22 GLN 66 -9.527 -12.538 -6.726 536 H TYR 67 H TYR 67 -9.202 -7.535 -10.376 537 HA TYR 67 HA TYR 67 -8.826 -8.018 -13.236 538 HB2 TYR 67 HB2 TYR 67 -9.778 -5.575 -11.688 539 HB3 TYR 67 HB3 TYR 67 -9.718 -5.671 -13.442 540 HD1 TYR 67 HD1 TYR 67 -10.510 -8.797 -13.227 541 HD2 TYR 67 HD2 TYR 67 -12.190 -5.087 -11.873 542 HE1 TYR 67 HE1 TYR 67 -12.765 -9.808 -13.249 543 HE2 TYR 67 HE2 TYR 67 -14.444 -6.099 -11.894 544 HH TYR 67 HH TYR 67 -14.929 -9.490 -12.858 545 H GLY 68 H GLY 68 -7.517 -5.694 -10.851 546 HA2 GLY 68 HA2 GLY 68 -4.915 -5.683 -11.127 547 HA3 GLY 68 HA3 GLY 68 -5.281 -5.136 -12.751 548 H LEU 69 H LEU 69 -3.903 -3.293 -11.917 549 HA LEU 69 HA LEU 69 -4.869 -1.678 -9.735 550 HB2 LEU 69 HB2 LEU 69 -2.494 -1.773 -10.367 551 HB3 LEU 69 HB3 LEU 69 -2.867 -1.053 -11.937 552 HG LEU 69 HG LEU 69 -3.563 1.038 -10.810 553 HD11 LEU 69 HD11 LEU 69 -3.128 1.313 -8.408 554 HD12 LEU 69 HD12 LEU 69 -4.347 0.055 -8.715 555 HD13 LEU 69 HD13 LEU 69 -2.680 -0.405 -8.291 556 HD21 LEU 69 HD21 LEU 69 -1.297 1.705 -10.079 557 HD22 LEU 69 HD22 LEU 69 -0.821 -0.008 -9.986 558 HD23 LEU 69 HD23 LEU 69 -1.229 0.718 -11.559 559 H GLU 70 H GLU 70 -4.921 -1.290 -13.285 560 HA GLU 70 HA GLU 70 -6.050 1.293 -13.353 561 HB2 GLU 70 HB2 GLU 70 -6.289 -1.037 -15.291 562 HB3 GLU 70 HB3 GLU 70 -6.921 0.566 -15.638 563 HG2 GLU 70 HG2 GLU 70 -4.686 1.522 -15.483 564 HG3 GLU 70 HG3 GLU 70 -4.022 -0.047 -15.027 565 H ALA 71 H ALA 71 -7.639 -1.892 -13.223 566 HA ALA 71 HA ALA 71 -10.311 -0.864 -13.315 567 HB1 ALA 71 HB1 ALA 71 -10.955 -3.079 -12.426 568 HB2 ALA 71 HB2 ALA 71 -9.795 -3.220 -13.768 569 HB3 ALA 71 HB3 ALA 71 -9.244 -3.434 -12.091 570 H ALA 72 H ALA 72 -8.088 -1.582 -10.640 571 HA ALA 72 HA ALA 72 -10.002 -1.134 -8.560 572 HB1 ALA 72 HB1 ALA 72 -8.026 -0.951 -7.083 573 HB2 ALA 72 HB2 ALA 72 -7.906 -2.351 -8.178 574 HB3 ALA 72 HB3 ALA 72 -6.973 -0.873 -8.514 575 H ARG 73 H ARG 73 -7.731 1.005 -10.245 576 HA ARG 73 HA ARG 73 -8.134 3.267 -8.529 577 HB2 ARG 73 HB2 ARG 73 -7.170 3.003 -11.390 578 HB3 ARG 73 HB3 ARG 73 -7.271 4.552 -10.565 579 HG2 ARG 73 HG2 ARG 73 -5.674 3.800 -8.883 580 HG3 ARG 73 HG3 ARG 73 -5.608 2.192 -9.646 581 HD2 ARG 73 HD2 ARG 73 -3.718 3.531 -10.300 582 HD3 ARG 73 HD3 ARG 73 -4.776 3.218 -11.695 583 HE ARG 73 HE ARG 73 -5.281 5.465 -11.820 584 HH11 ARG 73 HH11 ARG 73 -3.523 4.802 -8.853 585 HH12 ARG 73 HH12 ARG 73 -3.245 6.490 -8.491 586 HH21 ARG 73 HH21 ARG 73 -4.914 7.654 -11.342 587 HH22 ARG 73 HH22 ARG 73 -4.032 8.105 -9.899 588 H SER 74 H SER 74 -9.691 2.183 -11.538 589 HA SER 74 HA SER 74 -11.444 4.535 -11.587 590 HB2 SER 74 HB2 SER 74 -12.369 3.552 -13.594 591 HB3 SER 74 HB3 SER 74 -10.616 3.468 -13.669 592 HG SER 74 HG SER 74 -10.733 1.342 -12.995 593 H GLY 75 H GLY 75 -11.463 1.334 -10.272 594 HA2 GLY 75 HA2 GLY 75 -13.035 0.342 -8.855 595 HA3 GLY 75 HA3 GLY 75 -14.047 1.766 -9.002 596 H GLY 76 H GLY 76 -12.813 -0.033 -11.781 597 HA2 GLY 76 HA2 GLY 76 -15.638 -0.807 -12.421 598 HA3 GLY 76 HA3 GLY 76 -14.569 -0.093 -13.612 599 HA PRO 77 HA PRO 77 -14.092 -4.630 -13.924 600 HB2 PRO 77 HB2 PRO 77 -14.493 -4.890 -16.606 601 HB3 PRO 77 HB3 PRO 77 -15.851 -4.725 -15.487 602 HG2 PRO 77 HG2 PRO 77 -14.500 -2.580 -17.182 603 HG3 PRO 77 HG3 PRO 77 -16.226 -2.915 -17.017 604 HD2 PRO 77 HD2 PRO 77 -14.988 -0.954 -15.561 605 HD3 PRO 77 HD3 PRO 77 -16.377 -1.908 -14.900 606 H SER 78 H SER 78 -12.583 -5.859 -15.557 607 HA SER 78 HA SER 78 -9.994 -4.598 -15.487 608 HB2 SER 78 HB2 SER 78 -9.194 -6.614 -16.535 609 HB3 SER 78 HB3 SER 78 -10.387 -7.054 -15.322 610 HG SER 78 HG SER 78 -10.384 -7.794 -17.729 611 H PHE 79 H PHE 79 -8.579 -4.232 -17.308 612 HA PHE 79 HA PHE 79 -10.070 -3.373 -19.749 613 HB2 PHE 79 HB3 PHE 79 -7.808 -1.856 -18.390 614 HB3 PHE 79 HB2 PHE 79 -8.618 -1.385 -19.876 615 HD1 PHE 79 HD1 PHE 79 -8.550 -1.015 -16.370 616 HD2 PHE 79 HD2 PHE 79 -11.214 -1.071 -19.709 617 HE1 PHE 79 HE1 PHE 79 -10.222 0.248 -15.057 618 HE2 PHE 79 HE2 PHE 79 -12.887 0.194 -18.400 619 HZ PHE 79 HZ PHE 79 -12.390 0.852 -16.072 620 H GLY 80 H GLY 80 -9.313 -5.569 -20.401 621 HA2 GLY 80 HA2 GLY 80 -7.823 -6.165 -22.307 622 HA3 GLY 80 HA3 GLY 80 -6.504 -5.408 -21.435 623 HA PRO 81 HA PRO 81 -6.133 -9.911 -20.689 624 HB2 PRO 81 HB2 PRO 81 -3.345 -8.856 -20.086 625 HB3 PRO 81 HB3 PRO 81 -3.816 -10.320 -20.960 626 HG2 PRO 81 HG2 PRO 81 -3.012 -8.211 -22.371 627 HG3 PRO 81 HG3 PRO 81 -4.421 -9.121 -22.926 628 HD2 PRO 81 HD2 PRO 81 -4.319 -6.495 -21.387 629 HD3 PRO 81 HD3 PRO 81 -5.374 -6.959 -22.783 Start of MODEL 17 1 HA SER 1 HA SER 1 -2.592 -15.480 -3.675 2 HB2 SER 1 HB2 SER 1 -0.962 -13.710 -3.310 3 HB3 SER 1 HB3 SER 1 -0.138 -15.246 -3.539 4 HG SER 1 HG SER 1 0.671 -14.580 -5.318 5 H VAL 2 H VAL 2 -1.199 -13.076 -5.813 6 HA VAL 2 HA VAL 2 -3.963 -12.208 -6.542 7 HB VAL 2 HB VAL 2 -3.233 -9.862 -6.257 8 HG11 VAL 2 HG11 VAL 2 -3.148 -9.825 -3.813 9 HG12 VAL 2 HG12 VAL 2 -4.364 -10.973 -4.419 10 HG13 VAL 2 HG13 VAL 2 -2.807 -11.569 -3.798 11 HG21 VAL 2 HG21 VAL 2 -1.087 -9.385 -5.121 12 HG22 VAL 2 HG22 VAL 2 -0.686 -11.118 -5.155 13 HG23 VAL 2 HG23 VAL 2 -0.822 -10.208 -6.677 14 H LYS 3 H LYS 3 -4.054 -10.761 -8.417 15 HA LYS 3 HA LYS 3 -2.495 -11.802 -10.602 16 HB2 LYS 3 HB2 LYS 3 -4.807 -10.983 -10.891 17 HB3 LYS 3 HB3 LYS 3 -4.304 -9.356 -10.455 18 HG2 LYS 3 HG2 LYS 3 -2.893 -9.219 -12.449 19 HG3 LYS 3 HG3 LYS 3 -3.311 -10.885 -12.877 20 HD2 LYS 3 HD2 LYS 3 -5.666 -10.271 -13.129 21 HD3 LYS 3 HD3 LYS 3 -5.320 -8.621 -12.590 22 HE2 LYS 3 HE2 LYS 3 -3.840 -8.291 -14.543 23 HE3 LYS 3 HE3 LYS 3 -4.179 -9.938 -15.082 24 HZ1 LYS 3 HZ1 LYS 3 -5.539 -8.342 -16.216 25 HZ2 LYS 3 HZ2 LYS 3 -6.490 -9.330 -15.300 26 HZ3 LYS 3 HZ3 LYS 3 -6.172 -7.791 -14.797 27 H GLU 4 H GLU 4 -2.552 -8.601 -9.002 28 HA GLU 4 HA GLU 4 0.185 -8.157 -10.125 29 HB2 GLU 4 HB2 GLU 4 -1.995 -6.115 -9.535 30 HB3 GLU 4 HB3 GLU 4 -0.350 -5.709 -9.999 31 HG2 GLU 4 HG2 GLU 4 -0.663 -6.852 -12.150 32 HG3 GLU 4 HG3 GLU 4 -2.307 -7.283 -11.686 33 H THR 5 H THR 5 1.746 -7.243 -8.826 34 HA THR 5 HA THR 5 1.076 -7.302 -5.912 35 HB THR 5 HB THR 5 3.422 -8.024 -5.518 36 HG1 THR 5 HG1 THR 5 4.679 -7.537 -7.171 37 HG21 THR 5 HG21 THR 5 3.190 -10.318 -6.388 38 HG22 THR 5 HG22 THR 5 1.642 -9.721 -5.744 39 HG23 THR 5 HG23 THR 5 1.915 -9.772 -7.502 40 H LYS 6 H LYS 6 1.422 -5.149 -8.201 41 HA LYS 6 HA LYS 6 3.721 -3.613 -7.635 42 HB2 LYS 6 HB2 LYS 6 2.285 -3.257 -9.616 43 HB3 LYS 6 HB3 LYS 6 0.987 -2.669 -8.588 44 HG2 LYS 6 HG2 LYS 6 2.342 -0.745 -7.920 45 HG3 LYS 6 HG3 LYS 6 3.702 -1.351 -8.874 46 HD2 LYS 6 HD2 LYS 6 2.363 -1.168 -10.934 47 HD3 LYS 6 HD3 LYS 6 0.976 -0.601 -9.993 48 HE2 LYS 6 HE2 LYS 6 2.252 1.378 -9.273 49 HE3 LYS 6 HE3 LYS 6 3.668 0.805 -10.158 50 HZ1 LYS 6 HZ1 LYS 6 2.448 2.433 -11.403 51 HZ2 LYS 6 HZ2 LYS 6 2.399 0.983 -12.187 52 HZ3 LYS 6 HZ3 LYS 6 1.077 1.519 -11.360 53 H LEU 7 H LEU 7 0.439 -3.369 -6.248 54 HA LEU 7 HA LEU 7 1.133 -1.065 -4.640 55 HB2 LEU 7 HB2 LEU 7 -1.216 -2.987 -4.475 56 HB3 LEU 7 HB3 LEU 7 -1.083 -1.473 -3.574 57 HG LEU 7 HG LEU 7 -1.325 -1.778 -6.587 58 HD11 LEU 7 HD11 LEU 7 -3.460 -0.622 -6.231 59 HD12 LEU 7 HD12 LEU 7 -3.390 -2.161 -5.342 60 HD13 LEU 7 HD13 LEU 7 -3.168 -0.622 -4.475 61 HD21 LEU 7 HD21 LEU 7 -1.355 0.694 -6.607 62 HD22 LEU 7 HD22 LEU 7 -1.033 0.712 -4.856 63 HD23 LEU 7 HD23 LEU 7 0.193 0.077 -5.980 64 H TYR 8 H TYR 8 1.130 -4.546 -4.164 65 HA TYR 8 HA TYR 8 1.485 -4.428 -1.293 66 HB2 TYR 8 HB2 TYR 8 2.053 -6.613 -3.334 67 HB3 TYR 8 HB3 TYR 8 2.249 -6.825 -1.599 68 HD1 TYR 8 HD1 TYR 8 0.025 -7.105 -4.332 69 HD2 TYR 8 HD2 TYR 8 0.155 -6.262 -0.127 70 HE1 TYR 8 HE1 TYR 8 -2.362 -7.713 -4.136 71 HE2 TYR 8 HE2 TYR 8 -2.232 -6.870 0.069 72 HH TYR 8 HH TYR 8 -4.147 -7.747 -2.786 73 H ASP 9 H ASP 9 3.641 -4.399 -4.080 74 HA ASP 9 HA ASP 9 6.068 -4.678 -2.538 75 HB2 ASP 9 HB2 ASP 9 5.497 -3.598 -5.322 76 HB3 ASP 9 HB3 ASP 9 7.118 -3.667 -4.643 77 H LEU 10 H LEU 10 4.111 -1.937 -3.637 78 HA LEU 10 HA LEU 10 5.885 0.135 -2.828 79 HB2 LEU 10 HB2 LEU 10 2.866 -0.004 -3.048 80 HB3 LEU 10 HB3 LEU 10 3.720 1.477 -2.605 81 HG LEU 10 HG LEU 10 4.125 -0.028 -5.213 82 HD11 LEU 10 HD11 LEU 10 2.820 1.795 -6.212 83 HD12 LEU 10 HD12 LEU 10 1.861 0.865 -5.037 84 HD13 LEU 10 HD13 LEU 10 2.511 2.461 -4.593 85 HD21 LEU 10 HD21 LEU 10 5.296 2.047 -5.872 86 HD22 LEU 10 HD22 LEU 10 5.020 2.718 -4.246 87 HD23 LEU 10 HD23 LEU 10 6.071 1.297 -4.456 88 H LEU 11 H LEU 11 3.342 -1.624 -1.062 89 HA LEU 11 HA LEU 11 3.809 -0.104 1.384 90 HB2 LEU 11 HB2 LEU 11 2.231 -2.638 0.821 91 HB3 LEU 11 HB3 LEU 11 2.274 -1.822 2.386 92 HG LEU 11 HG LEU 11 1.158 -0.677 -0.196 93 HD11 LEU 11 HD11 LEU 11 -0.991 -0.862 0.975 94 HD12 LEU 11 HD12 LEU 11 -0.213 -2.450 0.773 95 HD13 LEU 11 HD13 LEU 11 -0.172 -1.631 2.354 96 HD21 LEU 11 HD21 LEU 11 0.428 1.192 1.246 97 HD22 LEU 11 HD22 LEU 11 1.266 0.451 2.632 98 HD23 LEU 11 HD23 LEU 11 2.201 1.045 1.239 99 H GLY 12 H GLY 12 4.957 -3.085 -0.051 100 HA2 GLY 12 HA2 GLY 12 6.848 -4.325 0.569 101 HA3 GLY 12 HA3 GLY 12 7.047 -3.306 1.981 102 H VAL 13 H VAL 13 4.250 -5.261 0.898 103 HA VAL 13 HA VAL 13 4.496 -6.918 3.348 104 HB VAL 13 HB VAL 13 3.082 -4.972 3.966 105 HG11 VAL 13 HG11 VAL 13 0.910 -4.632 2.892 106 HG12 VAL 13 HG12 VAL 13 2.258 -4.390 1.757 107 HG13 VAL 13 HG13 VAL 13 1.304 -5.891 1.697 108 HG21 VAL 13 HG21 VAL 13 1.124 -6.266 4.749 109 HG22 VAL 13 HG22 VAL 13 1.532 -7.571 3.612 110 HG23 VAL 13 HG23 VAL 13 2.629 -7.189 4.960 111 H SER 14 H SER 14 3.571 -8.930 3.213 112 HA SER 14 HA SER 14 3.422 -10.031 0.589 113 HB2 SER 14 HB2 SER 14 4.099 -11.389 2.469 114 HB3 SER 14 HB3 SER 14 2.568 -11.118 3.287 115 HG SER 14 HG SER 14 3.224 -12.795 1.237 116 HA PRO 15 HA PRO 15 -0.703 -9.229 -0.678 117 HB2 PRO 15 HB2 PRO 15 -0.383 -11.979 -1.935 118 HB3 PRO 15 HB3 PRO 15 -0.966 -10.479 -2.671 119 HG2 PRO 15 HG2 PRO 15 1.518 -11.262 -3.210 120 HG3 PRO 15 HG3 PRO 15 1.221 -9.557 -2.862 121 HD2 PRO 15 HD2 PRO 15 2.315 -11.724 -1.023 122 HD3 PRO 15 HD3 PRO 15 2.883 -10.021 -1.237 123 H SER 16 H SER 16 0.396 -12.165 0.912 124 HA SER 16 HA SER 16 -2.208 -13.358 1.275 125 HB2 SER 16 HB2 SER 16 -1.081 -14.914 2.729 126 HB3 SER 16 HB3 SER 16 -0.057 -14.616 1.333 127 HG SER 16 HG SER 16 1.183 -13.270 2.522 128 H ALA 17 H ALA 17 -0.593 -10.749 2.771 129 HA ALA 17 HA ALA 17 -1.698 -11.020 5.414 130 HB1 ALA 17 HB1 ALA 17 -1.031 -8.653 5.685 131 HB2 ALA 17 HB2 ALA 17 0.273 -9.628 4.967 132 HB3 ALA 17 HB3 ALA 17 -0.704 -8.554 3.940 133 H ASN 18 H ASN 18 -3.458 -10.095 6.378 134 HA ASN 18 HA ASN 18 -5.659 -9.401 4.550 135 HB2 ASN 18 HB2 ASN 18 -7.075 -9.520 6.501 136 HB3 ASN 18 HB3 ASN 18 -6.021 -10.928 6.473 137 HD21 ASN 18 HD21 ASN 18 -5.656 -10.134 9.889 138 HD22 ASN 18 HD22 ASN 18 -6.534 -11.089 8.742 139 H GLU 19 H GLU 19 -7.192 -7.613 5.564 140 HA GLU 19 HA GLU 19 -5.903 -5.251 4.682 141 HB2 GLU 19 HB2 GLU 19 -8.484 -5.625 6.254 142 HB3 GLU 19 HB3 GLU 19 -7.975 -4.092 5.562 143 HG2 GLU 19 HG2 GLU 19 -9.400 -4.864 3.947 144 HG3 GLU 19 HG3 GLU 19 -7.851 -5.424 3.323 145 H GLN 20 H GLN 20 -6.366 -6.571 7.910 146 HA GLN 20 HA GLN 20 -5.667 -4.164 9.327 147 HB2 GLN 20 HB2 GLN 20 -5.611 -7.096 10.135 148 HB3 GLN 20 HB3 GLN 20 -5.245 -5.780 11.242 149 HG2 GLN 20 HG2 GLN 20 -7.479 -4.875 10.988 150 HG3 GLN 20 HG3 GLN 20 -7.863 -6.118 9.765 151 HE21 GLN 20 HE21 GLN 20 -9.147 -7.043 13.204 152 HE22 GLN 20 HE22 GLN 20 -9.257 -5.595 12.256 153 H GLU 21 H GLU 21 -3.811 -7.026 8.296 154 HA GLU 21 HA GLU 21 -1.325 -6.022 9.400 155 HB2 GLU 21 HB2 GLU 21 -1.931 -8.222 7.388 156 HB3 GLU 21 HB3 GLU 21 -0.316 -7.867 7.984 157 HG2 GLU 21 HG2 GLU 21 -2.671 -8.727 9.678 158 HG3 GLU 21 HG3 GLU 21 -1.348 -9.759 9.142 159 H LEU 22 H LEU 22 -2.970 -5.820 6.293 160 HA LEU 22 HA LEU 22 -0.784 -4.706 4.815 161 HB2 LEU 22 HB2 LEU 22 -3.790 -4.416 4.502 162 HB3 LEU 22 HB3 LEU 22 -2.616 -3.793 3.338 163 HG LEU 22 HG LEU 22 -2.926 -6.725 4.075 164 HD11 LEU 22 HD11 LEU 22 -4.000 -6.932 1.879 165 HD12 LEU 22 HD12 LEU 22 -4.919 -5.861 2.961 166 HD13 LEU 22 HD13 LEU 22 -3.912 -5.167 1.668 167 HD21 LEU 22 HD21 LEU 22 -1.502 -7.060 2.084 168 HD22 LEU 22 HD22 LEU 22 -1.378 -5.296 1.875 169 HD23 LEU 22 HD23 LEU 22 -0.667 -6.076 3.309 170 H LYS 23 H LYS 23 -3.320 -3.266 6.846 171 HA LYS 23 HA LYS 23 -2.609 -0.542 6.449 172 HB2 LYS 23 HB2 LYS 23 -4.659 -1.254 7.633 173 HB3 LYS 23 HB3 LYS 23 -3.691 -1.916 8.942 174 HG2 LYS 23 HG2 LYS 23 -2.879 0.319 9.519 175 HG3 LYS 23 HG3 LYS 23 -3.768 1.011 8.155 176 HD2 LYS 23 HD2 LYS 23 -5.899 0.244 9.145 177 HD3 LYS 23 HD3 LYS 23 -5.014 -0.467 10.502 178 HE2 LYS 23 HE2 LYS 23 -4.155 1.772 11.114 179 HE3 LYS 23 HE3 LYS 23 -5.036 2.482 9.759 180 HZ1 LYS 23 HZ1 LYS 23 -6.236 2.707 11.808 181 HZ2 LYS 23 HZ2 LYS 23 -7.079 1.739 10.773 182 HZ3 LYS 23 HZ3 LYS 23 -6.257 1.076 12.040 183 H LYS 24 H LYS 24 -1.389 -2.953 8.776 184 HA LYS 24 HA LYS 24 0.434 -1.256 10.125 185 HB2 LYS 24 HB2 LYS 24 0.543 -4.237 9.533 186 HB3 LYS 24 HB3 LYS 24 1.701 -3.418 10.573 187 HG2 LYS 24 HG2 LYS 24 -0.093 -2.766 12.109 188 HG3 LYS 24 HG3 LYS 24 -1.292 -3.520 11.048 189 HD2 LYS 24 HD2 LYS 24 -0.123 -5.711 11.343 190 HD3 LYS 24 HD3 LYS 24 0.986 -4.935 12.483 191 HE2 LYS 24 HE2 LYS 24 -0.884 -4.372 13.966 192 HE3 LYS 24 HE3 LYS 24 -2.036 -5.049 12.811 193 HZ1 LYS 24 HZ1 LYS 24 -1.537 -6.587 14.565 194 HZ2 LYS 24 HZ2 LYS 24 -1.003 -7.192 13.127 195 HZ3 LYS 24 HZ3 LYS 24 0.073 -6.559 14.207 196 H GLY 25 H GLY 25 0.819 -3.159 7.144 197 HA2 GLY 25 HA2 GLY 25 3.551 -2.602 6.640 198 HA3 GLY 25 HA3 GLY 25 2.343 -2.935 5.413 199 H TYR 26 H TYR 26 0.599 -0.800 5.710 200 HA TYR 26 HA TYR 26 1.916 1.313 4.335 201 HB2 TYR 26 HB2 TYR 26 -0.480 1.010 4.116 202 HB3 TYR 26 HB3 TYR 26 -0.723 1.231 5.843 203 HD1 TYR 26 HD1 TYR 26 0.842 3.071 2.970 204 HD2 TYR 26 HD2 TYR 26 -1.523 3.263 6.544 205 HE1 TYR 26 HE1 TYR 26 0.500 5.493 2.614 206 HE2 TYR 26 HE2 TYR 26 -1.865 5.685 6.189 207 HH TYR 26 HH TYR 26 -0.688 7.300 3.276 208 H ARG 27 H ARG 27 0.960 1.006 7.758 209 HA ARG 27 HA ARG 27 1.696 3.605 8.572 210 HB2 ARG 27 HB2 ARG 27 1.713 0.971 10.075 211 HB3 ARG 27 HB3 ARG 27 2.031 2.518 10.847 212 HG2 ARG 27 HG2 ARG 27 -0.194 3.310 10.296 213 HG3 ARG 27 HG3 ARG 27 -0.526 1.821 9.380 214 HD2 ARG 27 HD2 ARG 27 -1.540 1.649 11.520 215 HD3 ARG 27 HD3 ARG 27 -0.153 0.537 11.461 216 HE ARG 27 HE ARG 27 0.558 3.105 12.548 217 HH11 ARG 27 HH11 ARG 27 -0.957 0.028 13.309 218 HH12 ARG 27 HH12 ARG 27 -0.593 0.129 15.017 219 HH21 ARG 27 HH21 ARG 27 1.024 3.225 14.767 220 HH22 ARG 27 HH22 ARG 27 0.527 1.939 15.844 221 H LYS 28 H LYS 28 3.640 0.628 8.361 222 HA LYS 28 HA LYS 28 6.041 1.782 9.424 223 HB2 LYS 28 HB2 LYS 28 5.558 -0.595 7.591 224 HB3 LYS 28 HB3 LYS 28 7.149 -0.160 8.197 225 HG2 LYS 28 HG2 LYS 28 6.381 -0.483 10.508 226 HG3 LYS 28 HG3 LYS 28 4.761 -0.881 9.921 227 HD2 LYS 28 HD2 LYS 28 5.696 -2.806 8.665 228 HD3 LYS 28 HD3 LYS 28 7.308 -2.414 9.281 229 HE2 LYS 28 HE2 LYS 28 6.519 -2.764 11.593 230 HE3 LYS 28 HE3 LYS 28 4.900 -3.131 10.994 231 HZ1 LYS 28 HZ1 LYS 28 6.145 -5.115 11.442 232 HZ2 LYS 28 HZ2 LYS 28 5.821 -5.015 9.827 233 HZ3 LYS 28 HZ3 LYS 28 7.334 -4.672 10.389 234 H ALA 29 H ALA 29 4.866 1.343 6.083 235 HA ALA 29 HA ALA 29 7.176 2.542 4.873 236 HB1 ALA 29 HB1 ALA 29 5.762 2.677 2.847 237 HB2 ALA 29 HB2 ALA 29 5.654 1.078 3.620 238 HB3 ALA 29 HB3 ALA 29 4.337 2.255 3.823 239 H ALA 30 H ALA 30 4.144 3.823 6.128 240 HA ALA 30 HA ALA 30 4.329 6.411 4.949 241 HB1 ALA 30 HB1 ALA 30 2.760 7.102 6.731 242 HB2 ALA 30 HB2 ALA 30 2.265 5.568 5.977 243 HB3 ALA 30 HB3 ALA 30 3.048 5.561 7.573 244 H LEU 31 H LEU 31 5.569 5.112 8.020 245 HA LEU 31 HA LEU 31 6.802 7.589 8.837 246 HB2 LEU 31 HB2 LEU 31 7.337 4.694 9.583 247 HB3 LEU 31 HB3 LEU 31 8.152 6.066 10.338 248 HG LEU 31 HG LEU 31 5.150 5.602 10.404 249 HD11 LEU 31 HD11 LEU 31 5.528 4.930 12.733 250 HD12 LEU 31 HD12 LEU 31 6.355 3.844 11.593 251 HD13 LEU 31 HD13 LEU 31 7.284 5.069 12.489 252 HD21 LEU 31 HD21 LEU 31 5.228 7.353 12.146 253 HD22 LEU 31 HD22 LEU 31 6.982 7.527 11.894 254 HD23 LEU 31 HD23 LEU 31 5.848 7.967 10.595 255 H LYS 32 H LYS 32 7.924 4.732 7.040 256 HA LYS 32 HA LYS 32 10.658 5.448 6.856 257 HB2 LYS 32 HB2 LYS 32 9.756 3.229 6.212 258 HB3 LYS 32 HB3 LYS 32 8.943 3.954 4.832 259 HG2 LYS 32 HG2 LYS 32 11.085 4.542 3.826 260 HG3 LYS 32 HG3 LYS 32 11.946 3.933 5.246 261 HD2 LYS 32 HD2 LYS 32 11.038 1.668 4.827 262 HD3 LYS 32 HD3 LYS 32 10.177 2.279 3.406 263 HE2 LYS 32 HE2 LYS 32 12.321 2.902 2.360 264 HE3 LYS 32 HE3 LYS 32 13.194 2.329 3.784 265 HZ1 LYS 32 HZ1 LYS 32 13.172 0.695 2.047 266 HZ2 LYS 32 HZ2 LYS 32 12.339 0.130 3.353 267 HZ3 LYS 32 HZ3 LYS 32 11.524 0.664 2.023 268 H TYR 33 H TYR 33 7.882 6.367 4.842 269 HA TYR 33 HA TYR 33 9.703 8.197 3.339 270 HB2 TYR 33 HB2 TYR 33 6.988 7.108 2.490 271 HB3 TYR 33 HB3 TYR 33 8.044 8.129 1.525 272 HD1 TYR 33 HD1 TYR 33 10.504 7.176 1.189 273 HD2 TYR 33 HD2 TYR 33 7.047 4.830 2.163 274 HE1 TYR 33 HE1 TYR 33 11.609 5.165 0.273 275 HE2 TYR 33 HE2 TYR 33 8.153 2.818 1.248 276 HH TYR 33 HH TYR 33 9.899 2.072 0.032 277 H HIS 34 H HIS 34 8.580 8.763 5.954 278 HA HIS 34 HA HIS 34 6.189 10.286 5.854 279 HB2 HIS 34 HB2 HIS 34 7.581 9.487 7.900 280 HB3 HIS 34 HB3 HIS 34 8.503 10.967 7.677 281 HD2 HIS 34 HD2 HIS 34 5.476 9.840 9.579 282 HE1 HIS 34 HE1 HIS 34 4.964 14.033 9.023 283 HE2 HIS 34 HE2 HIS 34 4.155 11.969 10.282 284 HA PRO 35 HA PRO 35 7.322 13.451 3.152 285 HB2 PRO 35 HB2 PRO 35 5.069 14.876 4.641 286 HB3 PRO 35 HB3 PRO 35 5.358 14.782 2.898 287 HG2 PRO 35 HG2 PRO 35 3.512 13.185 3.950 288 HG3 PRO 35 HG3 PRO 35 4.630 12.519 2.756 289 HD2 PRO 35 HD2 PRO 35 4.662 12.244 5.781 290 HD3 PRO 35 HD3 PRO 35 5.053 11.011 4.516 291 H ASP 36 H ASP 36 6.867 14.014 6.621 292 HA ASP 36 HA ASP 36 8.022 16.721 6.444 293 HB2 ASP 36 HB2 ASP 36 6.877 15.136 8.777 294 HB3 ASP 36 HB3 ASP 36 7.515 16.769 8.917 295 H LYS 37 H LYS 37 9.294 13.711 6.517 296 HA LYS 37 HA LYS 37 11.566 14.502 8.275 297 HB2 LYS 37 HB2 LYS 37 10.878 11.800 7.050 298 HB3 LYS 37 HB3 LYS 37 12.253 12.122 8.098 299 HG2 LYS 37 HG2 LYS 37 9.343 12.428 8.900 300 HG3 LYS 37 HG3 LYS 37 10.378 11.046 9.283 301 HD2 LYS 37 HD2 LYS 37 11.931 12.585 10.490 302 HD3 LYS 37 HD3 LYS 37 10.815 13.921 10.170 303 HE2 LYS 37 HE2 LYS 37 9.030 12.693 11.394 304 HE3 LYS 37 HE3 LYS 37 10.179 11.402 11.752 305 HZ1 LYS 37 HZ1 LYS 37 9.984 12.938 13.567 306 HZ2 LYS 37 HZ2 LYS 37 11.513 13.000 12.946 307 HZ3 LYS 37 HZ3 LYS 37 10.437 14.205 12.613 308 HA PRO 38 HA PRO 38 14.006 15.424 4.844 309 HB2 PRO 38 HB2 PRO 38 16.531 15.086 5.894 310 HB3 PRO 38 HB3 PRO 38 15.473 16.423 6.367 311 HG2 PRO 38 HG2 PRO 38 15.920 13.750 7.766 312 HG3 PRO 38 HG3 PRO 38 15.929 15.369 8.472 313 HD2 PRO 38 HD2 PRO 38 13.717 13.801 8.612 314 HD3 PRO 38 HD3 PRO 38 13.578 15.590 8.382 315 H THR 39 H THR 39 14.016 12.311 6.315 316 HA THR 39 HA THR 39 15.561 11.159 4.035 317 HB THR 39 HB THR 39 15.760 9.113 5.428 318 HG1 THR 39 HG1 THR 39 14.026 9.146 6.767 319 HG21 THR 39 HG21 THR 39 17.279 10.036 7.136 320 HG22 THR 39 HG22 THR 39 17.504 10.857 5.573 321 HG23 THR 39 HG23 THR 39 16.593 11.656 6.877 322 H GLY 40 H GLY 40 12.569 12.023 4.468 323 HA2 GLY 40 HA2 GLY 40 11.244 9.446 3.833 324 HA3 GLY 40 HA3 GLY 40 10.444 10.967 4.182 325 H ASP 41 H ASP 41 9.171 10.390 2.246 326 HA ASP 41 HA ASP 41 10.237 11.726 -0.113 327 HB2 ASP 41 HB2 ASP 41 11.207 9.441 -0.367 328 HB3 ASP 41 HB3 ASP 41 9.591 8.755 -0.290 329 H THR 42 H THR 42 8.582 13.033 -0.469 330 HA THR 42 HA THR 42 5.923 12.458 0.405 331 HB THR 42 HB THR 42 6.911 14.558 -1.575 332 HG1 THR 42 HG1 THR 42 6.773 15.884 0.323 333 HG21 THR 42 HG21 THR 42 4.807 15.724 -1.044 334 HG22 THR 42 HG22 THR 42 4.486 14.138 -1.785 335 HG23 THR 42 HG23 THR 42 4.299 14.354 -0.030 336 H GLU 43 H GLU 43 7.456 12.342 -2.806 337 HA GLU 43 HA GLU 43 5.120 11.723 -4.293 338 HB2 GLU 43 HB2 GLU 43 7.278 12.372 -5.321 339 HB3 GLU 43 HB3 GLU 43 7.996 10.858 -4.794 340 HG2 GLU 43 HG2 GLU 43 6.474 9.600 -6.226 341 HG3 GLU 43 HG3 GLU 43 5.667 11.091 -6.710 342 H LYS 44 H LYS 44 7.525 9.560 -2.773 343 HA LYS 44 HA LYS 44 6.177 7.142 -3.542 344 HB2 LYS 44 HB2 LYS 44 8.578 7.265 -2.854 345 HB3 LYS 44 HB3 LYS 44 8.074 7.620 -1.207 346 HG2 LYS 44 HG2 LYS 44 8.681 5.282 -1.421 347 HG3 LYS 44 HG3 LYS 44 6.953 5.426 -1.072 348 HD2 LYS 44 HD2 LYS 44 7.265 3.759 -2.804 349 HD3 LYS 44 HD3 LYS 44 6.476 5.175 -3.513 350 HE2 LYS 44 HE2 LYS 44 8.634 5.955 -4.402 351 HE3 LYS 44 HE3 LYS 44 9.456 4.582 -3.655 352 HZ1 LYS 44 HZ1 LYS 44 9.003 4.190 -5.963 353 HZ2 LYS 44 HZ2 LYS 44 8.151 3.121 -5.041 354 HZ3 LYS 44 HZ3 LYS 44 7.384 4.404 -5.741 355 H PHE 45 H PHE 45 5.989 9.233 -0.687 356 HA PHE 45 HA PHE 45 4.316 7.629 0.920 357 HB2 PHE 45 HB3 PHE 45 5.329 9.751 1.682 358 HB3 PHE 45 HB2 PHE 45 4.301 10.655 0.582 359 HD1 PHE 45 HD1 PHE 45 2.121 11.286 1.191 360 HD2 PHE 45 HD2 PHE 45 4.247 8.426 3.550 361 HE1 PHE 45 HE1 PHE 45 0.381 11.436 2.940 362 HE2 PHE 45 HE2 PHE 45 2.506 8.572 5.300 363 HZ PHE 45 HZ PHE 45 0.573 10.080 4.994 364 H LYS 46 H LYS 46 3.473 9.898 -1.699 365 HA LYS 46 HA LYS 46 0.644 9.553 -1.502 366 HB2 LYS 46 HB2 LYS 46 2.440 10.336 -3.827 367 HB3 LYS 46 HB3 LYS 46 0.684 10.317 -3.935 368 HG2 LYS 46 HG2 LYS 46 0.536 11.997 -2.149 369 HG3 LYS 46 HG3 LYS 46 2.298 11.999 -1.995 370 HD2 LYS 46 HD2 LYS 46 2.506 12.752 -4.343 371 HD3 LYS 46 HD3 LYS 46 0.743 12.747 -4.499 372 HE2 LYS 46 HE2 LYS 46 0.573 14.451 -2.721 373 HE3 LYS 46 HE3 LYS 46 2.328 14.446 -2.537 374 HZ1 LYS 46 HZ1 LYS 46 1.590 16.249 -3.913 375 HZ2 LYS 46 HZ2 LYS 46 2.510 15.208 -4.805 376 HZ3 LYS 46 HZ3 LYS 46 0.869 15.214 -4.976 377 H GLU 47 H GLU 47 3.153 7.766 -3.252 378 HA GLU 47 HA GLU 47 1.361 6.177 -4.820 379 HB2 GLU 47 HB2 GLU 47 4.222 5.720 -3.899 380 HB3 GLU 47 HB3 GLU 47 3.375 4.614 -4.971 381 HG2 GLU 47 HG2 GLU 47 3.087 6.421 -6.615 382 HG3 GLU 47 HG3 GLU 47 3.932 7.534 -5.540 383 H ILE 48 H ILE 48 2.915 5.634 -1.658 384 HA ILE 48 HA ILE 48 1.770 2.979 -1.378 385 HB ILE 48 HB ILE 48 2.674 3.063 0.915 386 HG12 ILE 48 HG12 ILE 48 3.423 5.937 0.344 387 HG13 ILE 48 HG13 ILE 48 2.040 5.453 1.313 388 HG21 ILE 48 HG21 ILE 48 5.043 3.428 0.355 389 HG22 ILE 48 HG22 ILE 48 4.209 2.540 -0.941 390 HG23 ILE 48 HG23 ILE 48 4.565 4.272 -1.136 391 HD11 ILE 48 HD11 ILE 48 3.938 6.031 2.718 392 HD12 ILE 48 HD12 ILE 48 3.534 4.306 2.891 393 HD13 ILE 48 HD13 ILE 48 4.934 4.799 1.910 394 H SER 49 H SER 49 0.756 6.225 -0.649 395 HA SER 49 HA SER 49 -1.343 5.504 1.201 396 HB2 SER 49 HB2 SER 49 -0.940 7.917 -0.593 397 HB3 SER 49 HB3 SER 49 -2.252 7.771 0.566 398 HG SER 49 HG SER 49 0.502 7.924 0.991 399 H GLU 50 H GLU 50 -1.211 6.030 -2.327 400 HA GLU 50 HA GLU 50 -3.917 5.340 -2.876 401 HB2 GLU 50 HB2 GLU 50 -2.426 6.309 -4.574 402 HB3 GLU 50 HB3 GLU 50 -1.401 4.882 -4.529 403 HG2 GLU 50 HG2 GLU 50 -3.230 3.513 -5.408 404 HG3 GLU 50 HG3 GLU 50 -4.298 4.915 -5.405 405 H ALA 51 H ALA 51 -0.982 3.299 -2.724 406 HA ALA 51 HA ALA 51 -2.217 0.823 -3.223 407 HB1 ALA 51 HB1 ALA 51 -0.319 -0.171 -1.987 408 HB2 ALA 51 HB2 ALA 51 0.216 1.109 -3.102 409 HB3 ALA 51 HB3 ALA 51 0.103 1.439 -1.358 410 H PHE 52 H PHE 52 -1.798 2.546 -0.130 411 HA PHE 52 HA PHE 52 -2.982 0.564 1.523 412 HB2 PHE 52 HB3 PHE 52 -1.762 2.396 2.519 413 HB3 PHE 52 HB2 PHE 52 -2.825 3.588 1.788 414 HD1 PHE 52 HD1 PHE 52 -3.017 0.617 4.059 415 HD2 PHE 52 HD2 PHE 52 -4.480 4.513 3.088 416 HE1 PHE 52 HE1 PHE 52 -4.441 0.584 6.079 417 HE2 PHE 52 HE2 PHE 52 -5.902 4.484 5.110 418 HZ PHE 52 HZ PHE 52 -5.884 2.518 6.605 419 H GLU 53 H GLU 53 -4.462 3.483 0.057 420 HA GLU 53 HA GLU 53 -7.047 3.139 1.075 421 HB2 GLU 53 HB2 GLU 53 -6.450 5.177 -0.074 422 HB3 GLU 53 HB3 GLU 53 -6.105 4.312 -1.565 423 HG2 GLU 53 HG2 GLU 53 -8.191 5.440 -1.806 424 HG3 GLU 53 HG3 GLU 53 -8.504 3.706 -1.741 425 H ILE 54 H ILE 54 -5.682 1.843 -1.960 426 HA ILE 54 HA ILE 54 -8.115 0.561 -2.779 427 HB ILE 54 HB ILE 54 -5.207 0.121 -3.559 428 HG12 ILE 54 HG12 ILE 54 -7.484 1.340 -5.131 429 HG13 ILE 54 HG13 ILE 54 -6.373 2.281 -4.148 430 HG21 ILE 54 HG21 ILE 54 -6.069 -1.237 -5.423 431 HG22 ILE 54 HG22 ILE 54 -6.461 -1.980 -3.856 432 HG23 ILE 54 HG23 ILE 54 -7.717 -1.104 -4.763 433 HD11 ILE 54 HD11 ILE 54 -5.706 2.299 -6.486 434 HD12 ILE 54 HD12 ILE 54 -4.480 1.475 -5.492 435 HD13 ILE 54 HD13 ILE 54 -5.606 0.524 -6.489 436 H LEU 55 H LEU 55 -5.280 -0.533 -0.940 437 HA LEU 55 HA LEU 55 -6.318 -3.288 -0.887 438 HB2 LEU 55 HB2 LEU 55 -3.824 -2.040 0.321 439 HB3 LEU 55 HB3 LEU 55 -4.222 -3.761 0.376 440 HG LEU 55 HG LEU 55 -3.686 -2.158 -2.151 441 HD11 LEU 55 HD11 LEU 55 -1.600 -3.449 -2.224 442 HD12 LEU 55 HD12 LEU 55 -1.695 -2.436 -0.764 443 HD13 LEU 55 HD13 LEU 55 -2.001 -4.187 -0.655 444 HD21 LEU 55 HD21 LEU 55 -3.702 -4.382 -3.229 445 HD22 LEU 55 HD22 LEU 55 -4.133 -5.133 -1.674 446 HD23 LEU 55 HD23 LEU 55 -5.274 -4.025 -2.473 447 H ASN 56 H ASN 56 -6.767 -0.478 0.889 448 HA ASN 56 HA ASN 56 -7.165 -1.793 3.477 449 HB2 ASN 56 HB2 ASN 56 -6.482 0.584 3.314 450 HB3 ASN 56 HB3 ASN 56 -8.001 0.963 2.514 451 HD21 ASN 56 HD21 ASN 56 -9.586 1.576 5.509 452 HD22 ASN 56 HD22 ASN 56 -9.350 1.940 3.831 453 H ASP 57 H ASP 57 -9.373 -0.153 1.175 454 HA ASP 57 HA ASP 57 -11.737 -1.346 2.269 455 HB2 ASP 57 HB2 ASP 57 -11.723 0.688 0.818 456 HB3 ASP 57 HB3 ASP 57 -11.251 -0.308 -0.552 457 HA PRO 58 HA PRO 58 -10.913 -5.492 1.047 458 HB2 PRO 58 HB2 PRO 58 -13.923 -5.580 1.544 459 HB3 PRO 58 HB3 PRO 58 -12.686 -6.742 2.038 460 HG2 PRO 58 HG2 PRO 58 -13.579 -5.023 3.854 461 HG3 PRO 58 HG3 PRO 58 -11.841 -5.325 3.759 462 HD2 PRO 58 HD2 PRO 58 -13.443 -2.974 2.691 463 HD3 PRO 58 HD3 PRO 58 -11.816 -2.984 3.483 464 H GLN 59 H GLN 59 -13.641 -3.539 -0.148 465 HA GLN 59 HA GLN 59 -14.251 -5.211 -2.406 466 HB2 GLN 59 HB2 GLN 59 -14.836 -2.287 -1.814 467 HB3 GLN 59 HB3 GLN 59 -15.426 -3.114 -3.248 468 HG2 GLN 59 HG2 GLN 59 -16.683 -4.681 -1.880 469 HG3 GLN 59 HG3 GLN 59 -16.032 -3.926 -0.397 470 HE21 GLN 59 HE21 GLN 59 -19.486 -2.643 -1.547 471 HE22 GLN 59 HE22 GLN 59 -18.826 -4.243 -1.603 472 H LYS 60 H LYS 60 -12.301 -2.246 -2.034 473 HA LYS 60 HA LYS 60 -11.542 -2.127 -4.807 474 HB2 LYS 60 HB2 LYS 60 -10.309 -0.928 -2.299 475 HB3 LYS 60 HB3 LYS 60 -9.707 -0.605 -3.919 476 HG2 LYS 60 HG2 LYS 60 -11.903 0.348 -4.543 477 HG3 LYS 60 HG3 LYS 60 -12.490 0.040 -2.902 478 HD2 LYS 60 HD2 LYS 60 -10.685 1.498 -2.001 479 HD3 LYS 60 HD3 LYS 60 -10.155 1.836 -3.656 480 HE2 LYS 60 HE2 LYS 60 -12.405 2.779 -4.158 481 HE3 LYS 60 HE3 LYS 60 -12.883 2.491 -2.483 482 HZ1 LYS 60 HZ1 LYS 60 -12.166 4.741 -2.822 483 HZ2 LYS 60 HZ2 LYS 60 -11.132 3.977 -1.789 484 HZ3 LYS 60 HZ3 LYS 60 -10.685 4.247 -3.354 485 H ARG 61 H ARG 61 -10.146 -3.670 -1.948 486 HA ARG 61 HA ARG 61 -7.674 -4.460 -3.110 487 HB2 ARG 61 HB2 ARG 61 -8.146 -4.622 -0.700 488 HB3 ARG 61 HB3 ARG 61 -9.356 -5.861 -1.002 489 HG2 ARG 61 HG2 ARG 61 -7.545 -7.315 -1.945 490 HG3 ARG 61 HG3 ARG 61 -6.369 -6.084 -1.426 491 HD2 ARG 61 HD2 ARG 61 -6.642 -7.946 0.161 492 HD3 ARG 61 HD3 ARG 61 -7.018 -6.352 0.854 493 HE ARG 61 HE ARG 61 -9.107 -7.123 1.305 494 HH11 ARG 61 HH11 ARG 61 -7.832 -8.970 -1.398 495 HH12 ARG 61 HH12 ARG 61 -9.232 -10.015 -1.507 496 HH21 ARG 61 HH21 ARG 61 -10.918 -8.485 1.155 497 HH22 ARG 61 HH22 ARG 61 -10.979 -9.741 -0.062 498 H GLU 62 H GLU 62 -10.845 -6.097 -2.988 499 HA GLU 62 HA GLU 62 -10.028 -8.451 -4.377 500 HB2 GLU 62 HB2 GLU 62 -12.718 -7.077 -4.059 501 HB3 GLU 62 HB3 GLU 62 -12.535 -8.578 -4.956 502 HG2 GLU 62 HG2 GLU 62 -11.764 -8.199 -2.053 503 HG3 GLU 62 HG3 GLU 62 -13.288 -8.881 -2.616 504 H ILE 63 H ILE 63 -11.225 -5.310 -5.510 505 HA ILE 63 HA ILE 63 -11.398 -5.983 -8.276 506 HB ILE 63 HB ILE 63 -10.871 -3.341 -6.861 507 HG12 ILE 63 HG12 ILE 63 -13.343 -4.329 -8.296 508 HG13 ILE 63 HG13 ILE 63 -13.083 -4.515 -6.568 509 HG21 ILE 63 HG21 ILE 63 -11.353 -2.263 -9.021 510 HG22 ILE 63 HG22 ILE 63 -9.891 -3.271 -9.122 511 HG23 ILE 63 HG23 ILE 63 -11.424 -3.858 -9.806 512 HD11 ILE 63 HD11 ILE 63 -14.471 -2.576 -7.044 513 HD12 ILE 63 HD12 ILE 63 -12.925 -2.077 -6.316 514 HD13 ILE 63 HD13 ILE 63 -13.189 -1.887 -8.066 515 H TYR 64 H TYR 64 -8.725 -4.635 -6.333 516 HA TYR 64 HA TYR 64 -6.875 -4.481 -8.521 517 HB2 TYR 64 HB2 TYR 64 -6.501 -3.205 -6.478 518 HB3 TYR 64 HB3 TYR 64 -6.432 -4.677 -5.518 519 HD1 TYR 64 HD1 TYR 64 -4.742 -3.014 -8.415 520 HD2 TYR 64 HD2 TYR 64 -4.385 -5.640 -5.039 521 HE1 TYR 64 HE1 TYR 64 -2.296 -3.123 -8.756 522 HE2 TYR 64 HE2 TYR 64 -1.939 -5.747 -5.380 523 HH TYR 64 HH TYR 64 -0.385 -4.059 -8.093 524 H ASP 65 H ASP 65 -7.247 -6.907 -5.915 525 HA ASP 65 HA ASP 65 -5.124 -8.573 -6.756 526 HB2 ASP 65 HB2 ASP 65 -7.699 -9.257 -5.285 527 HB3 ASP 65 HB3 ASP 65 -6.362 -10.380 -5.488 528 H GLN 66 H GLN 66 -8.510 -8.445 -7.777 529 HA GLN 66 HA GLN 66 -8.236 -10.925 -9.326 530 HB2 GLN 66 HB2 GLN 66 -10.356 -10.373 -8.142 531 HB3 GLN 66 HB3 GLN 66 -10.544 -8.944 -9.148 532 HG2 GLN 66 HG2 GLN 66 -11.954 -10.731 -9.948 533 HG3 GLN 66 HG3 GLN 66 -10.681 -10.376 -11.150 534 HE21 GLN 66 HE21 GLN 66 -10.020 -13.778 -11.384 535 HE22 GLN 66 HE22 GLN 66 -10.441 -12.291 -12.168 536 H TYR 67 H TYR 67 -8.817 -7.458 -10.027 537 HA TYR 67 HA TYR 67 -8.647 -8.141 -12.918 538 HB2 TYR 67 HB2 TYR 67 -9.807 -5.715 -11.490 539 HB3 TYR 67 HB3 TYR 67 -9.732 -5.896 -13.238 540 HD1 TYR 67 HD1 TYR 67 -11.058 -7.666 -14.373 541 HD2 TYR 67 HD2 TYR 67 -11.462 -6.824 -10.186 542 HE1 TYR 67 HE1 TYR 67 -13.224 -8.857 -14.343 543 HE2 TYR 67 HE2 TYR 67 -13.628 -8.014 -10.156 544 HH TYR 67 HH TYR 67 -15.148 -9.099 -11.351 545 H GLY 68 H GLY 68 -7.438 -5.792 -10.525 546 HA2 GLY 68 HA2 GLY 68 -4.890 -5.632 -10.717 547 HA3 GLY 68 HA3 GLY 68 -5.168 -5.237 -12.403 548 H LEU 69 H LEU 69 -3.803 -3.350 -11.430 549 HA LEU 69 HA LEU 69 -5.008 -1.516 -9.610 550 HB2 LEU 69 HB2 LEU 69 -2.592 -1.587 -10.051 551 HB3 LEU 69 HB3 LEU 69 -2.863 -1.065 -11.717 552 HG LEU 69 HG LEU 69 -3.710 1.112 -10.890 553 HD11 LEU 69 HD11 LEU 69 -3.457 1.674 -8.513 554 HD12 LEU 69 HD12 LEU 69 -4.609 0.340 -8.754 555 HD13 LEU 69 HD13 LEU 69 -2.965 -0.001 -8.169 556 HD21 LEU 69 HD21 LEU 69 -1.525 1.948 -10.092 557 HD22 LEU 69 HD22 LEU 69 -1.002 0.277 -9.769 558 HD23 LEU 69 HD23 LEU 69 -1.320 0.803 -11.440 559 H GLU 70 H GLU 70 -4.865 -1.583 -13.171 560 HA GLU 70 HA GLU 70 -6.012 0.901 -13.729 561 HB2 GLU 70 HB2 GLU 70 -5.125 -0.652 -15.448 562 HB3 GLU 70 HB3 GLU 70 -6.488 -1.731 -15.188 563 HG2 GLU 70 HG2 GLU 70 -8.033 0.004 -15.972 564 HG3 GLU 70 HG3 GLU 70 -6.683 1.114 -16.201 565 H ALA 71 H ALA 71 -7.685 -2.183 -13.060 566 HA ALA 71 HA ALA 71 -10.320 -1.064 -13.245 567 HB1 ALA 71 HB1 ALA 71 -11.033 -3.130 -12.087 568 HB2 ALA 71 HB2 ALA 71 -9.911 -3.477 -13.423 569 HB3 ALA 71 HB3 ALA 71 -9.331 -3.514 -11.741 570 H ALA 72 H ALA 72 -8.036 -1.487 -10.571 571 HA ALA 72 HA ALA 72 -9.833 -0.701 -8.495 572 HB1 ALA 72 HB1 ALA 72 -7.784 -0.293 -7.172 573 HB2 ALA 72 HB2 ALA 72 -7.710 -1.845 -8.039 574 HB3 ALA 72 HB3 ALA 72 -6.809 -0.441 -8.652 575 H ARG 73 H ARG 73 -7.866 1.123 -10.765 576 HA ARG 73 HA ARG 73 -8.258 3.646 -9.339 577 HB2 ARG 73 HB2 ARG 73 -7.094 2.961 -12.055 578 HB3 ARG 73 HB3 ARG 73 -7.233 4.609 -11.458 579 HG2 ARG 73 HG2 ARG 73 -5.725 4.148 -9.635 580 HG3 ARG 73 HG3 ARG 73 -5.691 2.417 -10.049 581 HD2 ARG 73 HD2 ARG 73 -3.713 3.511 -10.854 582 HD3 ARG 73 HD3 ARG 73 -4.723 2.987 -12.223 583 HE ARG 73 HE ARG 73 -5.099 5.192 -12.793 584 HH11 ARG 73 HH11 ARG 73 -3.505 5.022 -9.667 585 HH12 ARG 73 HH12 ARG 73 -3.147 6.732 -9.614 586 HH21 ARG 73 HH21 ARG 73 -4.630 7.412 -12.713 587 HH22 ARG 73 HH22 ARG 73 -3.785 8.087 -11.338 588 H SER 74 H SER 74 -9.627 1.989 -12.161 589 HA SER 74 HA SER 74 -11.203 4.353 -12.902 590 HB2 SER 74 HB2 SER 74 -11.970 2.997 -14.765 591 HB3 SER 74 HB3 SER 74 -10.224 2.871 -14.621 592 HG SER 74 HG SER 74 -10.388 0.900 -13.841 593 H GLY 75 H GLY 75 -11.585 1.461 -11.027 594 HA2 GLY 75 HA2 GLY 75 -13.352 1.120 -9.473 595 HA3 GLY 75 HA3 GLY 75 -14.330 2.303 -10.322 596 H GLY 76 H GLY 76 -12.655 -0.734 -11.255 597 HA2 GLY 76 HA2 GLY 76 -14.792 -1.464 -13.095 598 HA3 GLY 76 HA3 GLY 76 -13.371 -2.418 -12.710 599 HA PRO 77 HA PRO 77 -17.274 -4.268 -10.935 600 HB2 PRO 77 HB2 PRO 77 -15.834 -6.723 -11.997 601 HB3 PRO 77 HB3 PRO 77 -17.560 -6.343 -12.037 602 HG2 PRO 77 HG2 PRO 77 -16.142 -6.027 -14.269 603 HG3 PRO 77 HG3 PRO 77 -17.324 -4.792 -13.825 604 HD2 PRO 77 HD2 PRO 77 -14.301 -4.778 -13.449 605 HD3 PRO 77 HD3 PRO 77 -15.385 -3.444 -14.011 606 H SER 78 H SER 78 -17.372 -5.027 -8.872 607 HA SER 78 HA SER 78 -14.861 -5.666 -7.479 608 HB2 SER 78 HB2 SER 78 -16.440 -4.250 -6.328 609 HB3 SER 78 HB3 SER 78 -17.741 -5.407 -6.565 610 HG SER 78 HG SER 78 -17.024 -6.577 -5.020 611 H PHE 79 H PHE 79 -14.093 -7.616 -7.106 612 HA PHE 79 HA PHE 79 -15.593 -9.969 -7.960 613 HB2 PHE 79 HB3 PHE 79 -13.057 -9.614 -8.165 614 HB3 PHE 79 HB2 PHE 79 -12.966 -9.924 -6.438 615 HD1 PHE 79 HD1 PHE 79 -14.498 -11.453 -9.496 616 HD2 PHE 79 HD2 PHE 79 -12.501 -12.069 -5.771 617 HE1 PHE 79 HE1 PHE 79 -14.426 -13.884 -9.939 618 HE2 PHE 79 HE2 PHE 79 -12.425 -14.500 -6.210 619 HZ PHE 79 HZ PHE 79 -13.390 -15.408 -8.295 620 H GLY 80 H GLY 80 -17.386 -9.461 -6.408 621 HA2 GLY 80 HA2 GLY 80 -18.181 -11.009 -4.552 622 HA3 GLY 80 HA3 GLY 80 -16.751 -10.507 -3.670 623 HA PRO 81 HA PRO 81 -20.601 -7.803 -2.922 624 HB2 PRO 81 HB2 PRO 81 -19.965 -8.782 -0.115 625 HB3 PRO 81 HB3 PRO 81 -21.541 -8.451 -0.846 626 HG2 PRO 81 HG2 PRO 81 -20.764 -10.986 -0.627 627 HG3 PRO 81 HG3 PRO 81 -21.527 -10.457 -2.129 628 HD2 PRO 81 HD2 PRO 81 -18.572 -10.859 -1.517 629 HD3 PRO 81 HD3 PRO 81 -19.504 -11.328 -2.994 Start of MODEL 18 1 HA SER 1 HA SER 1 -5.107 -15.698 -6.443 2 HB2 SER 1 HB2 SER 1 -6.543 -16.486 -8.235 3 HB3 SER 1 HB3 SER 1 -7.081 -14.851 -8.587 4 HG SER 1 HG SER 1 -4.916 -14.341 -9.065 5 H VAL 2 H VAL 2 -3.418 -14.368 -6.671 6 HA VAL 2 HA VAL 2 -4.024 -11.445 -6.652 7 HB VAL 2 HB VAL 2 -1.524 -12.912 -5.704 8 HG11 VAL 2 HG11 VAL 2 -0.887 -10.756 -4.739 9 HG12 VAL 2 HG12 VAL 2 -1.033 -10.675 -6.511 10 HG13 VAL 2 HG13 VAL 2 -2.319 -10.002 -5.481 11 HG21 VAL 2 HG21 VAL 2 -2.322 -12.310 -3.442 12 HG22 VAL 2 HG22 VAL 2 -3.798 -11.610 -4.150 13 HG23 VAL 2 HG23 VAL 2 -3.491 -13.358 -4.278 14 H LYS 3 H LYS 3 -4.027 -10.850 -8.756 15 HA LYS 3 HA LYS 3 -2.149 -12.030 -10.652 16 HB2 LYS 3 HB2 LYS 3 -4.229 -9.826 -10.892 17 HB3 LYS 3 HB3 LYS 3 -3.210 -10.332 -12.232 18 HG2 LYS 3 HG2 LYS 3 -4.138 -12.610 -12.091 19 HG3 LYS 3 HG3 LYS 3 -5.156 -12.110 -10.734 20 HD2 LYS 3 HD2 LYS 3 -6.254 -10.426 -12.183 21 HD3 LYS 3 HD3 LYS 3 -5.241 -10.939 -13.540 22 HE2 LYS 3 HE2 LYS 3 -6.215 -13.181 -13.467 23 HE3 LYS 3 HE3 LYS 3 -7.156 -12.758 -12.034 24 HZ1 LYS 3 HZ1 LYS 3 -8.465 -12.622 -14.024 25 HZ2 LYS 3 HZ2 LYS 3 -8.317 -11.122 -13.352 26 HZ3 LYS 3 HZ3 LYS 3 -7.439 -11.518 -14.691 27 H GLU 4 H GLU 4 -2.527 -8.919 -8.992 28 HA GLU 4 HA GLU 4 0.197 -8.199 -9.991 29 HB2 GLU 4 HB2 GLU 4 -2.174 -6.364 -9.452 30 HB3 GLU 4 HB3 GLU 4 -0.541 -5.802 -9.785 31 HG2 GLU 4 HG2 GLU 4 -0.627 -6.908 -11.997 32 HG3 GLU 4 HG3 GLU 4 -2.280 -7.417 -11.662 33 H THR 5 H THR 5 1.650 -7.362 -8.568 34 HA THR 5 HA THR 5 0.773 -7.322 -5.710 35 HB THR 5 HB THR 5 3.050 -8.133 -5.111 36 HG1 THR 5 HG1 THR 5 4.436 -7.784 -6.697 37 HG21 THR 5 HG21 THR 5 2.756 -10.454 -5.882 38 HG22 THR 5 HG22 THR 5 1.201 -9.749 -5.381 39 HG23 THR 5 HG23 THR 5 1.592 -9.903 -7.108 40 H LYS 6 H LYS 6 1.324 -5.266 -8.007 41 HA LYS 6 HA LYS 6 3.670 -3.820 -7.393 42 HB2 LYS 6 HB2 LYS 6 2.331 -3.465 -9.443 43 HB3 LYS 6 HB3 LYS 6 1.024 -2.781 -8.485 44 HG2 LYS 6 HG2 LYS 6 2.440 -0.901 -7.828 45 HG3 LYS 6 HG3 LYS 6 3.811 -1.605 -8.696 46 HD2 LYS 6 HD2 LYS 6 2.566 -1.438 -10.821 47 HD3 LYS 6 HD3 LYS 6 1.178 -0.757 -9.960 48 HE2 LYS 6 HE2 LYS 6 2.531 1.175 -9.264 49 HE3 LYS 6 HE3 LYS 6 3.951 0.488 -10.057 50 HZ1 LYS 6 HZ1 LYS 6 2.885 2.129 -11.421 51 HZ2 LYS 6 HZ2 LYS 6 2.788 0.652 -12.151 52 HZ3 LYS 6 HZ3 LYS 6 1.463 1.294 -11.409 53 H LEU 7 H LEU 7 0.352 -3.402 -6.149 54 HA LEU 7 HA LEU 7 1.056 -1.097 -4.557 55 HB2 LEU 7 HB2 LEU 7 -1.326 -2.979 -4.413 56 HB3 LEU 7 HB3 LEU 7 -1.186 -1.462 -3.519 57 HG LEU 7 HG LEU 7 -1.360 -1.775 -6.536 58 HD11 LEU 7 HD11 LEU 7 -3.500 -0.609 -6.239 59 HD12 LEU 7 HD12 LEU 7 -3.462 -2.148 -5.349 60 HD13 LEU 7 HD13 LEU 7 -3.255 -0.611 -4.477 61 HD21 LEU 7 HD21 LEU 7 -1.379 0.695 -6.558 62 HD22 LEU 7 HD22 LEU 7 -1.105 0.713 -4.798 63 HD23 LEU 7 HD23 LEU 7 0.148 0.073 -5.887 64 H TYR 8 H TYR 8 0.907 -4.575 -3.986 65 HA TYR 8 HA TYR 8 1.263 -4.417 -1.130 66 HB2 TYR 8 HB2 TYR 8 1.839 -6.628 -3.138 67 HB3 TYR 8 HB3 TYR 8 2.028 -6.823 -1.401 68 HD1 TYR 8 HD1 TYR 8 -0.231 -6.954 -4.166 69 HD2 TYR 8 HD2 TYR 8 -0.026 -6.404 0.085 70 HE1 TYR 8 HE1 TYR 8 -2.622 -7.549 -3.972 71 HE2 TYR 8 HE2 TYR 8 -2.416 -7.000 0.278 72 HH TYR 8 HH TYR 8 -4.280 -8.059 -2.535 73 H ASP 9 H ASP 9 3.464 -4.471 -3.885 74 HA ASP 9 HA ASP 9 5.860 -4.774 -2.302 75 HB2 ASP 9 HB2 ASP 9 5.357 -3.735 -5.114 76 HB3 ASP 9 HB3 ASP 9 6.965 -3.831 -4.411 77 H LEU 10 H LEU 10 3.986 -2.005 -3.474 78 HA LEU 10 HA LEU 10 5.792 0.039 -2.670 79 HB2 LEU 10 HB2 LEU 10 2.769 -0.038 -2.900 80 HB3 LEU 10 HB3 LEU 10 3.658 1.430 -2.484 81 HG LEU 10 HG LEU 10 4.023 -0.135 -5.063 82 HD11 LEU 10 HD11 LEU 10 2.775 1.710 -6.096 83 HD12 LEU 10 HD12 LEU 10 1.787 0.832 -4.905 84 HD13 LEU 10 HD13 LEU 10 2.487 2.414 -4.487 85 HD21 LEU 10 HD21 LEU 10 5.256 1.891 -5.759 86 HD22 LEU 10 HD22 LEU 10 5.003 2.600 -4.145 87 HD23 LEU 10 HD23 LEU 10 6.009 1.143 -4.330 88 H LEU 11 H LEU 11 3.233 -1.684 -0.900 89 HA LEU 11 HA LEU 11 3.710 -0.156 1.541 90 HB2 LEU 11 HB2 LEU 11 2.123 -2.695 1.017 91 HB3 LEU 11 HB3 LEU 11 2.151 -1.827 2.555 92 HG LEU 11 HG LEU 11 1.039 -0.802 -0.081 93 HD11 LEU 11 HD11 LEU 11 -1.098 -0.884 1.127 94 HD12 LEU 11 HD12 LEU 11 -0.340 -2.490 1.020 95 HD13 LEU 11 HD13 LEU 11 -0.270 -1.571 2.543 96 HD21 LEU 11 HD21 LEU 11 0.349 1.165 1.247 97 HD22 LEU 11 HD22 LEU 11 1.196 0.506 2.666 98 HD23 LEU 11 HD23 LEU 11 2.121 0.996 1.226 99 H GLY 12 H GLY 12 4.859 -3.124 0.097 100 HA2 GLY 12 HA2 GLY 12 6.775 -4.336 0.701 101 HA3 GLY 12 HA3 GLY 12 6.958 -3.327 2.124 102 H VAL 13 H VAL 13 4.157 -5.276 1.055 103 HA VAL 13 HA VAL 13 4.509 -7.060 3.393 104 HB VAL 13 HB VAL 13 3.152 -5.155 4.222 105 HG11 VAL 13 HG11 VAL 13 0.929 -4.722 3.294 106 HG12 VAL 13 HG12 VAL 13 2.218 -4.412 2.107 107 HG13 VAL 13 HG13 VAL 13 1.241 -5.896 1.996 108 HG21 VAL 13 HG21 VAL 13 1.222 -6.481 5.019 109 HG22 VAL 13 HG22 VAL 13 1.552 -7.709 3.775 110 HG23 VAL 13 HG23 VAL 13 2.725 -7.431 5.084 111 H SER 14 H SER 14 3.701 -9.075 3.114 112 HA SER 14 HA SER 14 3.162 -9.935 0.442 113 HB2 SER 14 HB2 SER 14 4.169 -11.436 2.046 114 HB3 SER 14 HB3 SER 14 2.790 -11.297 3.125 115 HG SER 14 HG SER 14 3.135 -12.764 0.857 116 HA PRO 15 HA PRO 15 -1.138 -9.248 0.158 117 HB2 PRO 15 HB2 PRO 15 -1.760 -10.992 -1.873 118 HB3 PRO 15 HB3 PRO 15 -0.857 -9.498 -2.152 119 HG2 PRO 15 HG2 PRO 15 0.205 -12.328 -1.765 120 HG3 PRO 15 HG3 PRO 15 0.640 -11.159 -3.016 121 HD2 PRO 15 HD2 PRO 15 2.181 -11.483 -0.797 122 HD3 PRO 15 HD3 PRO 15 1.956 -9.855 -1.554 123 H SER 16 H SER 16 0.323 -12.217 1.073 124 HA SER 16 HA SER 16 -2.140 -13.645 1.687 125 HB2 SER 16 HB2 SER 16 -0.710 -15.242 2.784 126 HB3 SER 16 HB3 SER 16 0.047 -14.771 1.270 127 HG SER 16 HG SER 16 1.395 -13.430 2.366 128 H ALA 17 H ALA 17 -0.512 -11.011 3.058 129 HA ALA 17 HA ALA 17 -1.165 -11.537 5.831 130 HB1 ALA 17 HB1 ALA 17 -0.565 -9.162 6.172 131 HB2 ALA 17 HB2 ALA 17 0.665 -10.021 5.214 132 HB3 ALA 17 HB3 ALA 17 -0.491 -8.936 4.409 133 H ASN 18 H ASN 18 -2.713 -10.496 7.130 134 HA ASN 18 HA ASN 18 -5.269 -10.161 5.724 135 HB2 ASN 18 HB2 ASN 18 -6.273 -10.182 7.914 136 HB3 ASN 18 HB3 ASN 18 -5.083 -11.476 7.832 137 HD21 ASN 18 HD21 ASN 18 -3.834 -10.378 10.871 138 HD22 ASN 18 HD22 ASN 18 -4.560 -11.645 9.939 139 H GLU 19 H GLU 19 -6.722 -8.392 7.015 140 HA GLU 19 HA GLU 19 -5.921 -6.073 5.561 141 HB2 GLU 19 HB2 GLU 19 -8.094 -6.505 7.644 142 HB3 GLU 19 HB3 GLU 19 -7.894 -4.997 6.764 143 HG2 GLU 19 HG2 GLU 19 -8.286 -6.144 4.646 144 HG3 GLU 19 HG3 GLU 19 -8.405 -7.690 5.483 145 H GLN 20 H GLN 20 -5.845 -6.857 9.026 146 HA GLN 20 HA GLN 20 -5.003 -4.245 9.874 147 HB2 GLN 20 HB2 GLN 20 -4.754 -6.987 11.169 148 HB3 GLN 20 HB3 GLN 20 -4.262 -5.496 11.962 149 HG2 GLN 20 HG2 GLN 20 -6.540 -4.644 11.854 150 HG3 GLN 20 HG3 GLN 20 -7.056 -6.115 10.981 151 HE21 GLN 20 HE21 GLN 20 -7.874 -6.399 14.627 152 HE22 GLN 20 HE22 GLN 20 -8.225 -5.232 13.395 153 H GLU 21 H GLU 21 -3.254 -7.193 8.953 154 HA GLU 21 HA GLU 21 -0.650 -6.177 9.630 155 HB2 GLU 21 HB2 GLU 21 -1.568 -8.388 7.755 156 HB3 GLU 21 HB3 GLU 21 0.126 -8.027 8.051 157 HG2 GLU 21 HG2 GLU 21 -0.086 -8.587 10.381 158 HG3 GLU 21 HG3 GLU 21 -1.835 -8.743 10.236 159 H LEU 22 H LEU 22 -2.629 -6.103 6.693 160 HA LEU 22 HA LEU 22 -0.666 -4.931 4.983 161 HB2 LEU 22 HB2 LEU 22 -3.696 -4.752 4.998 162 HB3 LEU 22 HB3 LEU 22 -2.684 -4.091 3.710 163 HG LEU 22 HG LEU 22 -2.803 -7.026 4.488 164 HD11 LEU 22 HD11 LEU 22 -4.074 -7.288 2.405 165 HD12 LEU 22 HD12 LEU 22 -4.923 -6.240 3.567 166 HD13 LEU 22 HD13 LEU 22 -4.068 -5.524 2.180 167 HD21 LEU 22 HD21 LEU 22 -1.565 -7.328 2.371 168 HD22 LEU 22 HD22 LEU 22 -1.523 -5.564 2.142 169 HD23 LEU 22 HD23 LEU 22 -0.652 -6.306 3.505 170 H LYS 23 H LYS 23 -3.057 -3.513 7.204 171 HA LYS 23 HA LYS 23 -2.464 -0.782 6.641 172 HB2 LYS 23 HB2 LYS 23 -4.436 -1.511 7.946 173 HB3 LYS 23 HB3 LYS 23 -3.387 -2.064 9.244 174 HG2 LYS 23 HG2 LYS 23 -2.642 0.225 9.667 175 HG3 LYS 23 HG3 LYS 23 -3.607 0.811 8.303 176 HD2 LYS 23 HD2 LYS 23 -5.670 0.030 9.416 177 HD3 LYS 23 HD3 LYS 23 -4.711 -0.576 10.775 178 HE2 LYS 23 HE2 LYS 23 -3.908 1.720 11.232 179 HE3 LYS 23 HE3 LYS 23 -4.864 2.326 9.877 180 HZ1 LYS 23 HZ1 LYS 23 -5.992 2.623 11.957 181 HZ2 LYS 23 HZ2 LYS 23 -6.839 1.570 11.011 182 HZ3 LYS 23 HZ3 LYS 23 -5.945 1.006 12.277 183 H LYS 24 H LYS 24 -1.061 -3.063 8.993 184 HA LYS 24 HA LYS 24 0.759 -1.247 10.193 185 HB2 LYS 24 HB2 LYS 24 0.900 -4.250 9.752 186 HB3 LYS 24 HB3 LYS 24 2.111 -3.364 10.667 187 HG2 LYS 24 HG2 LYS 24 0.401 -2.643 12.275 188 HG3 LYS 24 HG3 LYS 24 -0.844 -3.483 11.340 189 HD2 LYS 24 HD2 LYS 24 0.344 -5.632 11.706 190 HD3 LYS 24 HD3 LYS 24 1.567 -4.784 12.664 191 HE2 LYS 24 HE2 LYS 24 -0.177 -4.076 14.268 192 HE3 LYS 24 HE3 LYS 24 -1.401 -4.916 13.315 193 HZ1 LYS 24 HZ1 LYS 24 -0.660 -6.237 15.158 194 HZ2 LYS 24 HZ2 LYS 24 -0.240 -6.972 13.742 195 HZ3 LYS 24 HZ3 LYS 24 0.903 -6.188 14.634 196 H GLY 25 H GLY 25 1.040 -3.233 7.264 197 HA2 GLY 25 HA2 GLY 25 3.726 -2.656 6.590 198 HA3 GLY 25 HA3 GLY 25 2.451 -3.004 5.438 199 H TYR 26 H TYR 26 0.715 -0.890 5.781 200 HA TYR 26 HA TYR 26 1.958 1.234 4.352 201 HB2 TYR 26 HB2 TYR 26 -0.442 0.893 4.214 202 HB3 TYR 26 HB3 TYR 26 -0.629 1.127 5.947 203 HD1 TYR 26 HD1 TYR 26 0.869 2.972 3.039 204 HD2 TYR 26 HD2 TYR 26 -1.487 3.143 6.621 205 HE1 TYR 26 HE1 TYR 26 0.485 5.386 2.670 206 HE2 TYR 26 HE2 TYR 26 -1.873 5.556 6.252 207 HH TYR 26 HH TYR 26 -0.693 7.183 3.339 208 H ARG 27 H ARG 27 1.139 0.907 7.805 209 HA ARG 27 HA ARG 27 1.851 3.519 8.603 210 HB2 ARG 27 HB2 ARG 27 1.991 0.879 10.090 211 HB3 ARG 27 HB3 ARG 27 2.309 2.427 10.855 212 HG2 ARG 27 HG2 ARG 27 0.041 3.174 10.380 213 HG3 ARG 27 HG3 ARG 27 -0.293 1.659 9.509 214 HD2 ARG 27 HD2 ARG 27 -1.205 1.499 11.693 215 HD3 ARG 27 HD3 ARG 27 0.212 0.427 11.594 216 HE ARG 27 HE ARG 27 0.909 3.028 12.596 217 HH11 ARG 27 HH11 ARG 27 -0.534 -0.046 13.495 218 HH12 ARG 27 HH12 ARG 27 -0.112 0.108 15.185 219 HH21 ARG 27 HH21 ARG 27 1.452 3.217 14.792 220 HH22 ARG 27 HH22 ARG 27 1.013 1.953 15.920 221 H LYS 28 H LYS 28 3.851 0.586 8.291 222 HA LYS 28 HA LYS 28 6.269 1.792 9.254 223 HB2 LYS 28 HB2 LYS 28 5.759 -0.595 7.443 224 HB3 LYS 28 HB3 LYS 28 7.365 -0.123 7.978 225 HG2 LYS 28 HG2 LYS 28 6.710 -0.465 10.321 226 HG3 LYS 28 HG3 LYS 28 5.072 -0.896 9.806 227 HD2 LYS 28 HD2 LYS 28 5.993 -2.800 8.507 228 HD3 LYS 28 HD3 LYS 28 7.622 -2.375 9.051 229 HE2 LYS 28 HE2 LYS 28 6.943 -2.743 11.395 230 HE3 LYS 28 HE3 LYS 28 5.306 -3.143 10.870 231 HZ1 LYS 28 HZ1 LYS 28 6.611 -5.101 11.258 232 HZ2 LYS 28 HZ2 LYS 28 6.213 -5.007 9.659 233 HZ3 LYS 28 HZ3 LYS 28 7.742 -4.634 10.154 234 H ALA 29 H ALA 29 4.964 1.323 5.966 235 HA ALA 29 HA ALA 29 7.180 2.572 4.649 236 HB1 ALA 29 HB1 ALA 29 5.658 2.709 2.704 237 HB2 ALA 29 HB2 ALA 29 5.610 1.102 3.466 238 HB3 ALA 29 HB3 ALA 29 4.293 2.262 3.751 239 H ALA 30 H ALA 30 4.175 3.808 6.027 240 HA ALA 30 HA ALA 30 4.337 6.427 4.907 241 HB1 ALA 30 HB1 ALA 30 2.794 7.068 6.729 242 HB2 ALA 30 HB2 ALA 30 2.288 5.557 5.939 243 HB3 ALA 30 HB3 ALA 30 3.095 5.507 7.524 244 H LEU 31 H LEU 31 5.611 5.051 7.932 245 HA LEU 31 HA LEU 31 6.844 7.470 8.848 246 HB2 LEU 31 HB2 LEU 31 7.478 4.543 9.336 247 HB3 LEU 31 HB3 LEU 31 8.324 5.866 10.146 248 HG LEU 31 HG LEU 31 5.334 5.359 10.349 249 HD11 LEU 31 HD11 LEU 31 5.854 4.507 12.591 250 HD12 LEU 31 HD12 LEU 31 6.620 3.524 11.321 251 HD13 LEU 31 HD13 LEU 31 7.593 4.685 12.257 252 HD21 LEU 31 HD21 LEU 31 5.504 6.964 12.221 253 HD22 LEU 31 HD22 LEU 31 7.238 7.178 11.881 254 HD23 LEU 31 HD23 LEU 31 6.026 7.708 10.690 255 H LYS 32 H LYS 32 7.954 4.825 6.752 256 HA LYS 32 HA LYS 32 10.665 5.602 6.534 257 HB2 LYS 32 HB2 LYS 32 9.767 3.450 5.692 258 HB3 LYS 32 HB3 LYS 32 8.884 4.302 4.434 259 HG2 LYS 32 HG2 LYS 32 10.984 5.047 3.419 260 HG3 LYS 32 HG3 LYS 32 11.903 4.267 4.714 261 HD2 LYS 32 HD2 LYS 32 10.977 2.070 4.052 262 HD3 LYS 32 HD3 LYS 32 10.055 2.850 2.758 263 HE2 LYS 32 HE2 LYS 32 12.159 3.617 1.715 264 HE3 LYS 32 HE3 LYS 32 13.086 2.855 3.010 265 HZ1 LYS 32 HZ1 LYS 32 12.978 1.472 1.070 266 HZ2 LYS 32 HZ2 LYS 32 12.196 0.735 2.321 267 HZ3 LYS 32 HZ3 LYS 32 11.330 1.448 1.111 268 H TYR 33 H TYR 33 7.817 6.643 4.671 269 HA TYR 33 HA TYR 33 9.565 8.634 3.295 270 HB2 TYR 33 HB2 TYR 33 6.826 7.574 2.485 271 HB3 TYR 33 HB3 TYR 33 7.779 8.745 1.582 272 HD1 TYR 33 HD1 TYR 33 6.918 5.376 1.822 273 HD2 TYR 33 HD2 TYR 33 10.284 7.926 1.065 274 HE1 TYR 33 HE1 TYR 33 8.042 3.535 0.615 275 HE2 TYR 33 HE2 TYR 33 11.408 6.086 -0.142 276 HH TYR 33 HH TYR 33 11.204 4.021 -0.948 277 H HIS 34 H HIS 34 8.371 8.826 6.025 278 HA HIS 34 HA HIS 34 6.093 10.577 5.940 279 HB2 HIS 34 HB2 HIS 34 7.005 9.197 7.927 280 HB3 HIS 34 HB3 HIS 34 8.150 10.511 8.159 281 HD2 HIS 34 HD2 HIS 34 4.578 9.605 9.121 282 HE1 HIS 34 HE1 HIS 34 5.019 13.779 9.862 283 HE2 HIS 34 HE2 HIS 34 3.551 11.725 10.230 284 HA PRO 35 HA PRO 35 7.775 14.186 4.333 285 HB2 PRO 35 HB2 PRO 35 5.756 15.469 6.232 286 HB3 PRO 35 HB3 PRO 35 6.075 15.853 4.535 287 HG2 PRO 35 HG2 PRO 35 3.957 14.350 5.100 288 HG3 PRO 35 HG3 PRO 35 4.985 13.889 3.739 289 HD2 PRO 35 HD2 PRO 35 4.872 12.724 6.539 290 HD3 PRO 35 HD3 PRO 35 5.098 11.878 4.957 291 H ASP 36 H ASP 36 7.339 13.774 7.825 292 HA ASP 36 HA ASP 36 9.026 16.135 8.400 293 HB2 ASP 36 HB2 ASP 36 7.405 14.290 10.199 294 HB3 ASP 36 HB3 ASP 36 8.394 15.618 10.794 295 H LYS 37 H LYS 37 9.740 13.161 7.488 296 HA LYS 37 HA LYS 37 11.961 12.862 9.461 297 HB2 LYS 37 HB2 LYS 37 10.796 10.838 7.508 298 HB3 LYS 37 HB3 LYS 37 12.171 10.542 8.561 299 HG2 LYS 37 HG2 LYS 37 9.380 11.227 9.530 300 HG3 LYS 37 HG3 LYS 37 10.048 9.593 9.414 301 HD2 LYS 37 HD2 LYS 37 11.887 10.274 10.967 302 HD3 LYS 37 HD3 LYS 37 11.119 11.859 11.135 303 HE2 LYS 37 HE2 LYS 37 9.061 10.744 11.990 304 HE3 LYS 37 HE3 LYS 37 9.880 9.184 11.879 305 HZ1 LYS 37 HZ1 LYS 37 9.985 10.079 14.087 306 HZ2 LYS 37 HZ2 LYS 37 11.504 9.989 13.451 307 HZ3 LYS 37 HZ3 LYS 37 10.738 11.446 13.556 308 HA PRO 38 HA PRO 38 15.051 14.052 6.718 309 HB2 PRO 38 HB2 PRO 38 16.374 11.370 7.287 310 HB3 PRO 38 HB3 PRO 38 17.078 12.991 7.348 311 HG2 PRO 38 HG2 PRO 38 16.414 11.822 9.643 312 HG3 PRO 38 HG3 PRO 38 16.016 13.528 9.412 313 HD2 PRO 38 HD2 PRO 38 14.215 11.087 9.161 314 HD3 PRO 38 HD3 PRO 38 13.863 12.693 9.918 315 H THR 39 H THR 39 13.749 10.775 6.420 316 HA THR 39 HA THR 39 14.653 10.627 3.591 317 HB THR 39 HB THR 39 13.958 8.238 3.721 318 HG1 THR 39 HG1 THR 39 12.451 8.009 5.235 319 HG21 THR 39 HG21 THR 39 15.712 7.504 5.288 320 HG22 THR 39 HG22 THR 39 16.268 8.884 4.313 321 HG23 THR 39 HG23 THR 39 15.765 9.133 6.000 322 H GLY 40 H GLY 40 12.364 12.272 4.751 323 HA2 GLY 40 HA2 GLY 40 9.870 11.153 3.971 324 HA3 GLY 40 HA3 GLY 40 10.217 12.867 4.109 325 H ASP 41 H ASP 41 8.701 11.189 2.090 326 HA ASP 41 HA ASP 41 9.768 12.539 -0.290 327 HB2 ASP 41 HB2 ASP 41 11.018 10.379 -0.238 328 HB3 ASP 41 HB3 ASP 41 9.491 9.506 -0.225 329 H THR 42 H THR 42 7.990 13.613 -0.832 330 HA THR 42 HA THR 42 5.367 12.809 -0.097 331 HB THR 42 HB THR 42 6.256 14.775 -2.251 332 HG1 THR 42 HG1 THR 42 5.554 16.215 -0.414 333 HG21 THR 42 HG21 THR 42 3.994 15.723 -2.009 334 HG22 THR 42 HG22 THR 42 3.919 14.037 -2.574 335 HG23 THR 42 HG23 THR 42 3.566 14.422 -0.874 336 H GLU 43 H GLU 43 7.154 12.454 -3.148 337 HA GLU 43 HA GLU 43 4.990 11.514 -4.724 338 HB2 GLU 43 HB2 GLU 43 7.166 12.216 -5.668 339 HB3 GLU 43 HB3 GLU 43 7.954 10.834 -4.917 340 HG2 GLU 43 HG2 GLU 43 6.646 9.302 -6.299 341 HG3 GLU 43 HG3 GLU 43 5.779 10.660 -7.014 342 H LYS 44 H LYS 44 7.456 9.668 -2.902 343 HA LYS 44 HA LYS 44 6.254 7.120 -3.532 344 HB2 LYS 44 HB2 LYS 44 8.225 7.911 -1.349 345 HB3 LYS 44 HB3 LYS 44 7.786 6.255 -1.745 346 HG2 LYS 44 HG2 LYS 44 9.195 8.224 -3.569 347 HG3 LYS 44 HG3 LYS 44 9.911 6.826 -2.757 348 HD2 LYS 44 HD2 LYS 44 7.606 6.595 -4.718 349 HD3 LYS 44 HD3 LYS 44 9.304 6.497 -5.207 350 HE2 LYS 44 HE2 LYS 44 9.619 4.603 -3.610 351 HE3 LYS 44 HE3 LYS 44 7.898 4.672 -3.223 352 HZ1 LYS 44 HZ1 LYS 44 8.365 3.013 -4.873 353 HZ2 LYS 44 HZ2 LYS 44 7.420 4.196 -5.525 354 HZ3 LYS 44 HZ3 LYS 44 9.028 4.132 -5.887 355 H PHE 45 H PHE 45 5.937 9.416 -0.871 356 HA PHE 45 HA PHE 45 4.407 7.760 0.873 357 HB2 PHE 45 HB3 PHE 45 5.435 10.016 1.422 358 HB3 PHE 45 HB2 PHE 45 4.133 10.768 0.514 359 HD1 PHE 45 HD1 PHE 45 1.913 10.919 1.399 360 HD2 PHE 45 HD2 PHE 45 4.963 8.811 3.521 361 HE1 PHE 45 HE1 PHE 45 0.482 10.882 3.414 362 HE2 PHE 45 HE2 PHE 45 3.534 8.769 5.538 363 HZ PHE 45 HZ PHE 45 1.292 9.806 5.485 364 H LYS 46 H LYS 46 3.459 9.901 -1.809 365 HA LYS 46 HA LYS 46 0.642 9.512 -1.549 366 HB2 LYS 46 HB2 LYS 46 1.664 11.292 -2.943 367 HB3 LYS 46 HB3 LYS 46 2.290 10.075 -4.047 368 HG2 LYS 46 HG2 LYS 46 0.016 9.416 -4.663 369 HG3 LYS 46 HG3 LYS 46 -0.650 10.571 -3.500 370 HD2 LYS 46 HD2 LYS 46 0.404 12.434 -4.729 371 HD3 LYS 46 HD3 LYS 46 1.097 11.287 -5.885 372 HE2 LYS 46 HE2 LYS 46 -1.180 10.569 -6.537 373 HE3 LYS 46 HE3 LYS 46 -1.873 11.714 -5.386 374 HZ1 LYS 46 HZ1 LYS 46 -1.837 12.602 -7.600 375 HZ2 LYS 46 HZ2 LYS 46 -0.846 13.494 -6.627 376 HZ3 LYS 46 HZ3 LYS 46 -0.200 12.423 -7.704 377 H GLU 47 H GLU 47 3.139 7.715 -3.331 378 HA GLU 47 HA GLU 47 1.382 6.018 -4.775 379 HB2 GLU 47 HB2 GLU 47 4.233 5.629 -3.799 380 HB3 GLU 47 HB3 GLU 47 3.405 4.442 -4.798 381 HG2 GLU 47 HG2 GLU 47 3.124 6.111 -6.574 382 HG3 GLU 47 HG3 GLU 47 3.918 7.324 -5.571 383 H ILE 48 H ILE 48 2.925 5.591 -1.586 384 HA ILE 48 HA ILE 48 1.789 2.952 -1.212 385 HB ILE 48 HB ILE 48 2.657 3.145 1.098 386 HG12 ILE 48 HG12 ILE 48 3.422 5.985 0.391 387 HG13 ILE 48 HG13 ILE 48 2.024 5.556 1.364 388 HG21 ILE 48 HG21 ILE 48 5.032 3.477 0.544 389 HG22 ILE 48 HG22 ILE 48 4.210 2.527 -0.714 390 HG23 ILE 48 HG23 ILE 48 4.571 4.246 -0.992 391 HD11 ILE 48 HD11 ILE 48 3.906 6.197 2.765 392 HD12 ILE 48 HD12 ILE 48 3.490 4.484 3.020 393 HD13 ILE 48 HD13 ILE 48 4.907 4.920 2.034 394 H SER 49 H SER 49 0.758 6.221 -0.567 395 HA SER 49 HA SER 49 -1.336 5.536 1.300 396 HB2 SER 49 HB2 SER 49 -0.929 7.920 -0.531 397 HB3 SER 49 HB3 SER 49 -2.239 7.799 0.635 398 HG SER 49 HG SER 49 0.515 7.962 1.040 399 H GLU 50 H GLU 50 -1.220 6.017 -2.234 400 HA GLU 50 HA GLU 50 -3.947 5.347 -2.743 401 HB2 GLU 50 HB2 GLU 50 -2.433 6.330 -4.442 402 HB3 GLU 50 HB3 GLU 50 -1.479 4.853 -4.460 403 HG2 GLU 50 HG2 GLU 50 -3.422 3.600 -5.299 404 HG3 GLU 50 HG3 GLU 50 -4.386 5.075 -5.271 405 H ALA 51 H ALA 51 -1.011 3.308 -2.617 406 HA ALA 51 HA ALA 51 -2.235 0.839 -3.164 407 HB1 ALA 51 HB1 ALA 51 -0.343 -0.170 -1.929 408 HB2 ALA 51 HB2 ALA 51 0.197 1.130 -3.018 409 HB3 ALA 51 HB3 ALA 51 0.069 1.431 -1.270 410 H PHE 52 H PHE 52 -1.808 2.479 -0.022 411 HA PHE 52 HA PHE 52 -3.026 0.474 1.572 412 HB2 PHE 52 HB3 PHE 52 -1.777 2.293 2.588 413 HB3 PHE 52 HB2 PHE 52 -2.878 3.491 1.927 414 HD1 PHE 52 HD1 PHE 52 -2.908 0.468 4.129 415 HD2 PHE 52 HD2 PHE 52 -4.572 4.305 3.260 416 HE1 PHE 52 HE1 PHE 52 -4.283 0.335 6.179 417 HE2 PHE 52 HE2 PHE 52 -5.947 4.175 5.311 418 HZ PHE 52 HZ PHE 52 -5.803 2.188 6.769 419 H GLU 53 H GLU 53 -4.461 3.427 0.135 420 HA GLU 53 HA GLU 53 -7.068 3.084 1.109 421 HB2 GLU 53 HB2 GLU 53 -6.450 5.140 0.014 422 HB3 GLU 53 HB3 GLU 53 -6.061 4.306 -1.483 423 HG2 GLU 53 HG2 GLU 53 -8.139 5.440 -1.761 424 HG3 GLU 53 HG3 GLU 53 -8.453 3.706 -1.741 425 H ILE 54 H ILE 54 -5.661 1.854 -1.936 426 HA ILE 54 HA ILE 54 -8.087 0.597 -2.818 427 HB ILE 54 HB ILE 54 -5.168 0.176 -3.568 428 HG12 ILE 54 HG12 ILE 54 -7.435 1.425 -5.133 429 HG13 ILE 54 HG13 ILE 54 -6.317 2.342 -4.133 430 HG21 ILE 54 HG21 ILE 54 -6.000 -1.149 -5.469 431 HG22 ILE 54 HG22 ILE 54 -6.410 -1.925 -3.922 432 HG23 ILE 54 HG23 ILE 54 -7.656 -1.037 -4.828 433 HD11 ILE 54 HD11 ILE 54 -5.650 2.396 -6.471 434 HD12 ILE 54 HD12 ILE 54 -4.430 1.549 -5.491 435 HD13 ILE 54 HD13 ILE 54 -5.561 0.621 -6.505 436 H LEU 55 H LEU 55 -5.286 -0.545 -0.957 437 HA LEU 55 HA LEU 55 -6.314 -3.300 -0.987 438 HB2 LEU 55 HB2 LEU 55 -3.883 -2.067 0.357 439 HB3 LEU 55 HB3 LEU 55 -4.265 -3.791 0.340 440 HG LEU 55 HG LEU 55 -3.614 -2.093 -2.095 441 HD11 LEU 55 HD11 LEU 55 -1.545 -3.413 -2.132 442 HD12 LEU 55 HD12 LEU 55 -1.694 -2.465 -0.634 443 HD13 LEU 55 HD13 LEU 55 -2.028 -4.214 -0.619 444 HD21 LEU 55 HD21 LEU 55 -3.610 -4.266 -3.275 445 HD22 LEU 55 HD22 LEU 55 -4.123 -5.080 -1.777 446 HD23 LEU 55 HD23 LEU 55 -5.211 -3.919 -2.575 447 H ASN 56 H ASN 56 -6.814 -0.523 0.850 448 HA ASN 56 HA ASN 56 -7.383 -1.927 3.360 449 HB2 ASN 56 HB2 ASN 56 -6.640 0.449 3.308 450 HB3 ASN 56 HB3 ASN 56 -8.126 0.882 2.475 451 HD21 ASN 56 HD21 ASN 56 -9.825 1.372 5.428 452 HD22 ASN 56 HD22 ASN 56 -9.541 1.788 3.771 453 H ASP 57 H ASP 57 -9.414 -0.146 1.000 454 HA ASP 57 HA ASP 57 -11.872 -1.256 1.948 455 HB2 ASP 57 HB2 ASP 57 -11.693 0.790 0.523 456 HB3 ASP 57 HB3 ASP 57 -11.201 -0.213 -0.834 457 HA PRO 58 HA PRO 58 -11.196 -5.423 0.712 458 HB2 PRO 58 HB2 PRO 58 -14.228 -5.369 1.045 459 HB3 PRO 58 HB3 PRO 58 -13.077 -6.593 1.594 460 HG2 PRO 58 HG2 PRO 58 -13.987 -4.845 3.377 461 HG3 PRO 58 HG3 PRO 58 -12.263 -5.231 3.374 462 HD2 PRO 58 HD2 PRO 58 -13.686 -2.797 2.242 463 HD3 PRO 58 HD3 PRO 58 -12.110 -2.891 3.125 464 H GLN 59 H GLN 59 -13.754 -3.321 -0.601 465 HA GLN 59 HA GLN 59 -14.322 -4.951 -2.907 466 HB2 GLN 59 HB2 GLN 59 -15.885 -3.232 -1.984 467 HB3 GLN 59 HB3 GLN 59 -14.778 -1.968 -2.498 468 HG2 GLN 59 HG2 GLN 59 -16.567 -2.155 -4.082 469 HG3 GLN 59 HG3 GLN 59 -15.055 -2.717 -4.848 470 HE21 GLN 59 HE21 GLN 59 -16.512 -5.679 -5.872 471 HE22 GLN 59 HE22 GLN 59 -15.424 -4.364 -6.166 472 H LYS 60 H LYS 60 -12.211 -2.142 -2.342 473 HA LYS 60 HA LYS 60 -11.398 -1.954 -5.113 474 HB2 LYS 60 HB2 LYS 60 -10.224 -0.810 -2.551 475 HB3 LYS 60 HB3 LYS 60 -9.579 -0.465 -4.150 476 HG2 LYS 60 HG2 LYS 60 -11.740 0.530 -4.812 477 HG3 LYS 60 HG3 LYS 60 -12.384 0.187 -3.200 478 HD2 LYS 60 HD2 LYS 60 -10.592 1.603 -2.205 479 HD3 LYS 60 HD3 LYS 60 -10.011 1.980 -3.833 480 HE2 LYS 60 HE2 LYS 60 -12.227 2.964 -4.380 481 HE3 LYS 60 HE3 LYS 60 -12.773 2.622 -2.737 482 HZ1 LYS 60 HZ1 LYS 60 -12.028 4.876 -2.968 483 HZ2 LYS 60 HZ2 LYS 60 -11.041 4.068 -1.921 484 HZ3 LYS 60 HZ3 LYS 60 -10.530 4.389 -3.457 485 H ARG 61 H ARG 61 -10.101 -3.534 -2.225 486 HA ARG 61 HA ARG 61 -7.614 -4.346 -3.368 487 HB2 ARG 61 HB2 ARG 61 -8.136 -4.427 -0.941 488 HB3 ARG 61 HB3 ARG 61 -9.274 -5.734 -1.235 489 HG2 ARG 61 HG2 ARG 61 -7.521 -7.230 -1.887 490 HG3 ARG 61 HG3 ARG 61 -6.324 -5.911 -1.885 491 HD2 ARG 61 HD2 ARG 61 -6.063 -7.179 0.103 492 HD3 ARG 61 HD3 ARG 61 -6.772 -5.604 0.530 493 HE ARG 61 HE ARG 61 -8.254 -8.177 0.401 494 HH11 ARG 61 HH11 ARG 61 -7.859 -4.902 1.609 495 HH12 ARG 61 HH12 ARG 61 -9.192 -5.023 2.734 496 HH21 ARG 61 HH21 ARG 61 -9.983 -8.322 1.866 497 HH22 ARG 61 HH22 ARG 61 -10.396 -6.958 2.881 498 H GLU 62 H GLU 62 -10.790 -5.971 -3.173 499 HA GLU 62 HA GLU 62 -10.096 -8.335 -4.562 500 HB2 GLU 62 HB2 GLU 62 -12.261 -8.003 -3.411 501 HB3 GLU 62 HB3 GLU 62 -12.722 -6.793 -4.600 502 HG2 GLU 62 HG2 GLU 62 -12.680 -8.497 -6.367 503 HG3 GLU 62 HG3 GLU 62 -12.187 -9.713 -5.190 504 H ILE 63 H ILE 63 -11.355 -5.240 -5.842 505 HA ILE 63 HA ILE 63 -11.384 -6.019 -8.568 506 HB ILE 63 HB ILE 63 -11.073 -3.296 -7.252 507 HG12 ILE 63 HG12 ILE 63 -13.427 -4.489 -8.725 508 HG13 ILE 63 HG13 ILE 63 -13.208 -4.622 -6.986 509 HG21 ILE 63 HG21 ILE 63 -11.560 -2.331 -9.464 510 HG22 ILE 63 HG22 ILE 63 -10.030 -3.239 -9.486 511 HG23 ILE 63 HG23 ILE 63 -11.499 -3.956 -10.190 512 HD11 ILE 63 HD11 ILE 63 -14.706 -2.790 -7.543 513 HD12 ILE 63 HD12 ILE 63 -13.219 -2.173 -6.783 514 HD13 ILE 63 HD13 ILE 63 -13.443 -2.037 -8.543 515 H TYR 64 H TYR 64 -8.815 -4.577 -6.580 516 HA TYR 64 HA TYR 64 -6.946 -4.139 -8.674 517 HB2 TYR 64 HB2 TYR 64 -6.567 -3.148 -6.508 518 HB3 TYR 64 HB3 TYR 64 -6.576 -4.716 -5.714 519 HD1 TYR 64 HD1 TYR 64 -4.752 -3.028 -8.531 520 HD2 TYR 64 HD2 TYR 64 -4.544 -5.561 -5.072 521 HE1 TYR 64 HE1 TYR 64 -2.298 -3.172 -8.783 522 HE2 TYR 64 HE2 TYR 64 -2.091 -5.704 -5.325 523 HH TYR 64 HH TYR 64 -0.423 -4.111 -8.028 524 H ASP 65 H ASP 65 -7.240 -6.928 -6.446 525 HA ASP 65 HA ASP 65 -5.086 -8.351 -7.742 526 HB2 ASP 65 HB2 ASP 65 -7.214 -9.172 -5.736 527 HB3 ASP 65 HB3 ASP 65 -6.026 -10.308 -6.362 528 H GLN 66 H GLN 66 -8.542 -8.152 -8.211 529 HA GLN 66 HA GLN 66 -8.681 -10.644 -9.738 530 HB2 GLN 66 HB2 GLN 66 -10.599 -9.826 -8.375 531 HB3 GLN 66 HB3 GLN 66 -10.726 -8.411 -9.411 532 HG2 GLN 66 HG2 GLN 66 -12.396 -10.031 -10.022 533 HG3 GLN 66 HG3 GLN 66 -11.200 -9.884 -11.340 534 HE21 GLN 66 HE21 GLN 66 -10.926 -13.336 -11.475 535 HE22 GLN 66 HE22 GLN 66 -11.195 -11.833 -12.290 536 H TYR 67 H TYR 67 -8.459 -7.180 -10.411 537 HA TYR 67 HA TYR 67 -8.606 -7.820 -13.328 538 HB2 TYR 67 HB2 TYR 67 -9.644 -5.345 -11.887 539 HB3 TYR 67 HB3 TYR 67 -9.633 -5.568 -13.631 540 HD1 TYR 67 HD1 TYR 67 -10.879 -7.675 -14.542 541 HD2 TYR 67 HD2 TYR 67 -11.494 -5.983 -10.647 542 HE1 TYR 67 HE1 TYR 67 -13.092 -8.768 -14.416 543 HE2 TYR 67 HE2 TYR 67 -13.707 -7.078 -10.521 544 HH TYR 67 HH TYR 67 -15.178 -8.376 -11.548 545 H GLY 68 H GLY 68 -7.409 -5.425 -10.955 546 HA2 GLY 68 HA2 GLY 68 -4.789 -5.436 -11.207 547 HA3 GLY 68 HA3 GLY 68 -5.150 -4.824 -12.810 548 H LEU 69 H LEU 69 -3.682 -3.112 -11.655 549 HA LEU 69 HA LEU 69 -4.765 -1.487 -9.581 550 HB2 LEU 69 HB2 LEU 69 -2.388 -1.502 -10.067 551 HB3 LEU 69 HB3 LEU 69 -2.672 -0.902 -11.703 552 HG LEU 69 HG LEU 69 -3.453 1.252 -10.779 553 HD11 LEU 69 HD11 LEU 69 -3.193 1.707 -8.382 554 HD12 LEU 69 HD12 LEU 69 -4.376 0.413 -8.681 555 HD13 LEU 69 HD13 LEU 69 -2.739 0.009 -8.108 556 HD21 LEU 69 HD21 LEU 69 -1.251 2.002 -9.945 557 HD22 LEU 69 HD22 LEU 69 -0.768 0.307 -9.693 558 HD23 LEU 69 HD23 LEU 69 -1.069 0.911 -11.340 559 H GLU 70 H GLU 70 -4.679 -1.028 -13.125 560 HA GLU 70 HA GLU 70 -5.873 1.556 -13.099 561 HB2 GLU 70 HB2 GLU 70 -5.752 -0.603 -15.235 562 HB3 GLU 70 HB3 GLU 70 -6.449 0.985 -15.523 563 HG2 GLU 70 HG2 GLU 70 -3.592 0.441 -14.685 564 HG3 GLU 70 HG3 GLU 70 -4.139 0.809 -16.320 565 H ALA 71 H ALA 71 -7.262 -1.692 -13.137 566 HA ALA 71 HA ALA 71 -9.984 -0.868 -13.475 567 HB1 ALA 71 HB1 ALA 71 -10.539 -3.068 -12.492 568 HB2 ALA 71 HB2 ALA 71 -9.277 -3.203 -13.739 569 HB3 ALA 71 HB3 ALA 71 -8.837 -3.277 -12.018 570 H ALA 72 H ALA 72 -7.985 -1.407 -10.572 571 HA ALA 72 HA ALA 72 -10.025 -0.744 -8.693 572 HB1 ALA 72 HB1 ALA 72 -8.157 -0.392 -7.111 573 HB2 ALA 72 HB2 ALA 72 -7.956 -1.894 -8.046 574 HB3 ALA 72 HB3 ALA 72 -7.009 -0.448 -8.468 575 H ARG 73 H ARG 73 -7.743 1.229 -10.525 576 HA ARG 73 HA ARG 73 -8.346 3.692 -9.152 577 HB2 ARG 73 HB2 ARG 73 -7.139 3.059 -11.856 578 HB3 ARG 73 HB3 ARG 73 -7.408 4.709 -11.318 579 HG2 ARG 73 HG2 ARG 73 -5.924 4.363 -9.409 580 HG3 ARG 73 HG3 ARG 73 -5.683 2.667 -9.895 581 HD2 ARG 73 HD2 ARG 73 -4.542 3.274 -11.833 582 HD3 ARG 73 HD3 ARG 73 -5.087 4.963 -11.726 583 HE ARG 73 HE ARG 73 -3.671 4.579 -9.410 584 HH11 ARG 73 HH11 ARG 73 -2.974 4.141 -12.825 585 HH12 ARG 73 HH12 ARG 73 -1.267 4.480 -12.649 586 HH21 ARG 73 HH21 ARG 73 -1.454 5.017 -9.194 587 HH22 ARG 73 HH22 ARG 73 -0.405 4.976 -10.594 588 H SER 74 H SER 74 -9.714 2.002 -11.942 589 HA SER 74 HA SER 74 -11.567 4.169 -12.564 590 HB2 SER 74 HB2 SER 74 -12.468 2.681 -14.207 591 HB3 SER 74 HB3 SER 74 -10.720 2.499 -14.239 592 HG SER 74 HG SER 74 -11.467 0.818 -12.481 593 H GLY 75 H GLY 75 -11.493 1.424 -10.433 594 HA2 GLY 75 HA2 GLY 75 -12.894 1.109 -8.575 595 HA3 GLY 75 HA3 GLY 75 -13.938 2.396 -9.148 596 H GLY 76 H GLY 76 -12.877 -0.460 -10.984 597 HA2 GLY 76 HA2 GLY 76 -15.048 -2.185 -10.502 598 HA3 GLY 76 HA3 GLY 76 -15.563 -1.127 -11.804 599 HA PRO 77 HA PRO 77 -13.112 -4.843 -13.364 600 HB2 PRO 77 HB2 PRO 77 -15.561 -4.847 -15.163 601 HB3 PRO 77 HB3 PRO 77 -14.667 -6.220 -14.497 602 HG2 PRO 77 HG2 PRO 77 -16.984 -5.549 -13.367 603 HG3 PRO 77 HG3 PRO 77 -15.618 -5.972 -12.330 604 HD2 PRO 77 HD2 PRO 77 -16.675 -3.217 -13.081 605 HD3 PRO 77 HD3 PRO 77 -16.127 -3.826 -11.468 606 H SER 78 H SER 78 -11.771 -4.686 -15.130 607 HA SER 78 HA SER 78 -12.108 -2.264 -16.826 608 HB2 SER 78 HB2 SER 78 -9.990 -2.407 -15.649 609 HB3 SER 78 HB3 SER 78 -9.709 -4.033 -16.255 610 HG SER 78 HG SER 78 -10.168 -2.680 -18.361 611 H PHE 79 H PHE 79 -13.167 -2.615 -18.647 612 HA PHE 79 HA PHE 79 -12.204 -4.706 -20.466 613 HB2 PHE 79 HB3 PHE 79 -14.409 -5.732 -20.803 614 HB3 PHE 79 HB2 PHE 79 -13.875 -5.942 -19.144 615 HD1 PHE 79 HD1 PHE 79 -16.317 -4.366 -21.344 616 HD2 PHE 79 HD2 PHE 79 -14.937 -4.700 -17.315 617 HE1 PHE 79 HE1 PHE 79 -18.431 -3.369 -20.540 618 HE2 PHE 79 HE2 PHE 79 -17.050 -3.705 -16.506 619 HZ PHE 79 HZ PHE 79 -18.797 -3.039 -18.119 620 H GLY 80 H GLY 80 -13.161 -4.545 -22.615 621 HA2 GLY 80 HA2 GLY 80 -14.321 -3.346 -24.320 622 HA3 GLY 80 HA3 GLY 80 -14.610 -2.028 -23.201 623 HA PRO 81 HA PRO 81 -11.002 -1.076 -25.951 624 HB2 PRO 81 HB2 PRO 81 -12.037 1.022 -27.372 625 HB3 PRO 81 HB3 PRO 81 -12.340 -0.658 -27.835 626 HG2 PRO 81 HG2 PRO 81 -14.108 1.227 -26.222 627 HG3 PRO 81 HG3 PRO 81 -14.562 0.198 -27.583 628 HD2 PRO 81 HD2 PRO 81 -14.972 -0.580 -24.993 629 HD3 PRO 81 HD3 PRO 81 -14.564 -1.769 -26.295 Start of MODEL 19 1 HA SER 1 HA SER 1 -2.719 -15.467 -3.614 2 HB2 SER 1 HB2 SER 1 -1.081 -13.719 -3.194 3 HB3 SER 1 HB3 SER 1 -0.270 -15.266 -3.385 4 HG SER 1 HG SER 1 0.614 -14.623 -5.139 5 H VAL 2 H VAL 2 -1.213 -13.092 -5.700 6 HA VAL 2 HA VAL 2 -3.933 -12.196 -6.552 7 HB VAL 2 HB VAL 2 -3.195 -9.856 -6.231 8 HG11 VAL 2 HG11 VAL 2 -3.226 -9.818 -3.785 9 HG12 VAL 2 HG12 VAL 2 -4.423 -10.955 -4.451 10 HG13 VAL 2 HG13 VAL 2 -2.903 -11.567 -3.755 11 HG21 VAL 2 HG21 VAL 2 -1.101 -9.400 -4.995 12 HG22 VAL 2 HG22 VAL 2 -0.715 -11.137 -5.010 13 HG23 VAL 2 HG23 VAL 2 -0.770 -10.224 -6.536 14 H LYS 3 H LYS 3 -3.922 -10.742 -8.424 15 HA LYS 3 HA LYS 3 -2.261 -11.781 -10.535 16 HB2 LYS 3 HB2 LYS 3 -4.552 -10.957 -10.941 17 HB3 LYS 3 HB3 LYS 3 -4.071 -9.334 -10.465 18 HG2 LYS 3 HG2 LYS 3 -2.546 -9.196 -12.383 19 HG3 LYS 3 HG3 LYS 3 -2.970 -10.848 -12.851 20 HD2 LYS 3 HD2 LYS 3 -5.295 -10.195 -13.220 21 HD3 LYS 3 HD3 LYS 3 -4.961 -8.562 -12.626 22 HE2 LYS 3 HE2 LYS 3 -3.356 -8.224 -14.489 23 HE3 LYS 3 HE3 LYS 3 -3.727 -9.842 -15.092 24 HZ1 LYS 3 HZ1 LYS 3 -4.977 -8.164 -16.240 25 HZ2 LYS 3 HZ2 LYS 3 -6.003 -9.144 -15.397 26 HZ3 LYS 3 HZ3 LYS 3 -5.657 -7.632 -14.834 27 H GLU 4 H GLU 4 -2.483 -8.473 -9.168 28 HA GLU 4 HA GLU 4 0.335 -8.064 -10.067 29 HB2 GLU 4 HB2 GLU 4 -1.869 -6.043 -9.494 30 HB3 GLU 4 HB3 GLU 4 -0.208 -5.616 -9.877 31 HG2 GLU 4 HG2 GLU 4 -0.434 -6.706 -12.074 32 HG3 GLU 4 HG3 GLU 4 -2.100 -7.133 -11.688 33 H THR 5 H THR 5 1.853 -7.171 -8.698 34 HA THR 5 HA THR 5 1.090 -7.258 -5.810 35 HB THR 5 HB THR 5 3.427 -7.911 -5.331 36 HG1 THR 5 HG1 THR 5 4.728 -7.267 -6.902 37 HG21 THR 5 HG21 THR 5 3.357 -10.178 -6.291 38 HG22 THR 5 HG22 THR 5 1.747 -9.681 -5.719 39 HG23 THR 5 HG23 THR 5 2.123 -9.651 -7.457 40 H LYS 6 H LYS 6 1.492 -5.093 -8.117 41 HA LYS 6 HA LYS 6 3.719 -3.510 -7.493 42 HB2 LYS 6 HB2 LYS 6 2.293 -3.176 -9.490 43 HB3 LYS 6 HB3 LYS 6 0.986 -2.591 -8.468 44 HG2 LYS 6 HG2 LYS 6 2.319 -0.656 -7.803 45 HG3 LYS 6 HG3 LYS 6 3.698 -1.261 -8.733 46 HD2 LYS 6 HD2 LYS 6 2.372 -1.106 -10.813 47 HD3 LYS 6 HD3 LYS 6 0.984 -0.515 -9.886 48 HE2 LYS 6 HE2 LYS 6 2.251 1.466 -9.194 49 HE3 LYS 6 HE3 LYS 6 3.689 0.867 -10.025 50 HZ1 LYS 6 HZ1 LYS 6 2.519 2.479 -11.337 51 HZ2 LYS 6 HZ2 LYS 6 2.483 1.012 -12.094 52 HZ3 LYS 6 HZ3 LYS 6 1.140 1.574 -11.319 53 H LEU 7 H LEU 7 0.405 -3.263 -6.181 54 HA LEU 7 HA LEU 7 1.072 -0.988 -4.525 55 HB2 LEU 7 HB2 LEU 7 -1.281 -2.910 -4.428 56 HB3 LEU 7 HB3 LEU 7 -1.163 -1.411 -3.504 57 HG LEU 7 HG LEU 7 -1.340 -1.666 -6.524 58 HD11 LEU 7 HD11 LEU 7 -3.493 -0.532 -6.197 59 HD12 LEU 7 HD12 LEU 7 -3.431 -2.089 -5.337 60 HD13 LEU 7 HD13 LEU 7 -3.243 -0.566 -4.436 61 HD21 LEU 7 HD21 LEU 7 -1.390 0.806 -6.497 62 HD22 LEU 7 HD22 LEU 7 -1.110 0.793 -4.739 63 HD23 LEU 7 HD23 LEU 7 0.147 0.190 -5.844 64 H TYR 8 H TYR 8 0.961 -4.483 -4.053 65 HA TYR 8 HA TYR 8 1.345 -4.399 -1.196 66 HB2 TYR 8 HB2 TYR 8 1.931 -6.559 -3.260 67 HB3 TYR 8 HB3 TYR 8 2.104 -6.791 -1.526 68 HD1 TYR 8 HD1 TYR 8 -0.089 -7.019 -4.294 69 HD2 TYR 8 HD2 TYR 8 -0.004 -6.263 -0.071 70 HE1 TYR 8 HE1 TYR 8 -2.479 -7.628 -4.137 71 HE2 TYR 8 HE2 TYR 8 -2.394 -6.872 0.086 72 HH TYR 8 HH TYR 8 -4.266 -7.738 -2.806 73 H ASP 9 H ASP 9 3.505 -4.314 -3.975 74 HA ASP 9 HA ASP 9 5.912 -4.701 -2.402 75 HB2 ASP 9 HB2 ASP 9 5.444 -3.643 -5.215 76 HB3 ASP 9 HB3 ASP 9 7.043 -3.844 -4.512 77 H LEU 10 H LEU 10 4.067 -1.916 -3.570 78 HA LEU 10 HA LEU 10 5.900 0.109 -2.764 79 HB2 LEU 10 HB2 LEU 10 2.877 0.060 -2.998 80 HB3 LEU 10 HB3 LEU 10 3.776 1.517 -2.567 81 HG LEU 10 HG LEU 10 4.162 -0.023 -5.156 82 HD11 LEU 10 HD11 LEU 10 2.892 1.809 -6.185 83 HD12 LEU 10 HD12 LEU 10 1.908 0.908 -5.008 84 HD13 LEU 10 HD13 LEU 10 2.580 2.497 -4.574 85 HD21 LEU 10 HD21 LEU 10 5.367 2.026 -5.828 86 HD22 LEU 10 HD22 LEU 10 5.091 2.719 -4.212 87 HD23 LEU 10 HD23 LEU 10 6.121 1.279 -4.399 88 H LEU 11 H LEU 11 3.319 -1.591 -1.003 89 HA LEU 11 HA LEU 11 3.798 -0.077 1.442 90 HB2 LEU 11 HB2 LEU 11 2.206 -2.606 0.891 91 HB3 LEU 11 HB3 LEU 11 2.246 -1.770 2.447 92 HG LEU 11 HG LEU 11 1.144 -0.659 -0.159 93 HD11 LEU 11 HD11 LEU 11 -1.007 -0.807 1.013 94 HD12 LEU 11 HD12 LEU 11 -0.240 -2.403 0.845 95 HD13 LEU 11 HD13 LEU 11 -0.196 -1.557 2.408 96 HD21 LEU 11 HD21 LEU 11 0.423 1.242 1.247 97 HD22 LEU 11 HD22 LEU 11 1.256 0.521 2.647 98 HD23 LEU 11 HD23 LEU 11 2.197 1.082 1.245 99 H GLY 12 H GLY 12 4.924 -3.066 0.008 100 HA2 GLY 12 HA2 GLY 12 6.810 -4.316 0.629 101 HA3 GLY 12 HA3 GLY 12 7.011 -3.301 2.046 102 H VAL 13 H VAL 13 4.201 -5.234 0.951 103 HA VAL 13 HA VAL 13 4.428 -6.886 3.409 104 HB VAL 13 HB VAL 13 2.997 -4.934 3.983 105 HG11 VAL 13 HG11 VAL 13 0.832 -4.630 2.884 106 HG12 VAL 13 HG12 VAL 13 2.190 -4.394 1.758 107 HG13 VAL 13 HG13 VAL 13 1.249 -5.904 1.713 108 HG21 VAL 13 HG21 VAL 13 1.042 -6.231 4.769 109 HG22 VAL 13 HG22 VAL 13 1.474 -7.552 3.657 110 HG23 VAL 13 HG23 VAL 13 2.554 -7.137 5.009 111 H SER 14 H SER 14 3.528 -8.904 3.272 112 HA SER 14 HA SER 14 3.330 -10.038 0.668 113 HB2 SER 14 HB2 SER 14 3.981 -11.381 2.572 114 HB3 SER 14 HB3 SER 14 2.455 -11.066 3.384 115 HG SER 14 HG SER 14 3.072 -12.925 1.606 116 HA PRO 15 HA PRO 15 -0.815 -9.188 -0.399 117 HB2 PRO 15 HB2 PRO 15 -1.206 -11.136 -2.305 118 HB3 PRO 15 HB3 PRO 15 -0.195 -9.713 -2.592 119 HG2 PRO 15 HG2 PRO 15 0.647 -12.516 -1.734 120 HG3 PRO 15 HG3 PRO 15 1.332 -11.512 -3.017 121 HD2 PRO 15 HD2 PRO 15 2.494 -11.627 -0.565 122 HD3 PRO 15 HD3 PRO 15 2.459 -10.084 -1.509 123 H SER 16 H SER 16 0.300 -12.120 1.017 124 HA SER 16 HA SER 16 -2.320 -13.372 1.308 125 HB2 SER 16 HB2 SER 16 -1.182 -14.979 2.693 126 HB3 SER 16 HB3 SER 16 -0.175 -14.647 1.291 127 HG SER 16 HG SER 16 1.030 -13.246 2.537 128 H ALA 17 H ALA 17 -0.758 -10.748 2.759 129 HA ALA 17 HA ALA 17 -1.788 -11.078 5.444 130 HB1 ALA 17 HB1 ALA 17 -1.126 -8.713 5.733 131 HB2 ALA 17 HB2 ALA 17 0.174 -9.675 4.988 132 HB3 ALA 17 HB3 ALA 17 -0.821 -8.594 3.983 133 H ASN 18 H ASN 18 -3.507 -10.090 6.455 134 HA ASN 18 HA ASN 18 -5.748 -9.413 4.662 135 HB2 ASN 18 HB2 ASN 18 -7.128 -9.521 6.642 136 HB3 ASN 18 HB3 ASN 18 -6.084 -10.936 6.595 137 HD21 ASN 18 HD21 ASN 18 -5.654 -10.136 10.002 138 HD22 ASN 18 HD22 ASN 18 -6.566 -11.083 8.875 139 H GLU 19 H GLU 19 -7.256 -7.619 5.696 140 HA GLU 19 HA GLU 19 -5.976 -5.256 4.809 141 HB2 GLU 19 HB2 GLU 19 -8.546 -5.694 6.371 142 HB3 GLU 19 HB3 GLU 19 -8.037 -4.109 5.805 143 HG2 GLU 19 HG2 GLU 19 -9.474 -4.777 4.143 144 HG3 GLU 19 HG3 GLU 19 -7.910 -5.227 3.468 145 H GLN 20 H GLN 20 -6.395 -6.591 8.037 146 HA GLN 20 HA GLN 20 -5.676 -4.199 9.461 147 HB2 GLN 20 HB2 GLN 20 -5.589 -7.137 10.241 148 HB3 GLN 20 HB3 GLN 20 -5.207 -5.831 11.353 149 HG2 GLN 20 HG2 GLN 20 -7.450 -4.935 11.149 150 HG3 GLN 20 HG3 GLN 20 -7.852 -6.168 9.922 151 HE21 GLN 20 HE21 GLN 20 -9.069 -7.135 13.370 152 HE22 GLN 20 HE22 GLN 20 -9.206 -5.681 12.438 153 H GLU 21 H GLU 21 -3.821 -7.037 8.366 154 HA GLU 21 HA GLU 21 -1.324 -6.025 9.444 155 HB2 GLU 21 HB2 GLU 21 -1.949 -8.226 7.436 156 HB3 GLU 21 HB3 GLU 21 -0.326 -7.861 8.006 157 HG2 GLU 21 HG2 GLU 21 -2.648 -8.737 9.740 158 HG3 GLU 21 HG3 GLU 21 -1.330 -9.763 9.176 159 H LEU 22 H LEU 22 -3.018 -5.821 6.363 160 HA LEU 22 HA LEU 22 -0.860 -4.700 4.850 161 HB2 LEU 22 HB2 LEU 22 -3.871 -4.418 4.594 162 HB3 LEU 22 HB3 LEU 22 -2.723 -3.778 3.415 163 HG LEU 22 HG LEU 22 -2.997 -6.719 4.131 164 HD11 LEU 22 HD11 LEU 22 -4.114 -6.915 1.955 165 HD12 LEU 22 HD12 LEU 22 -5.019 -5.860 3.066 166 HD13 LEU 22 HD13 LEU 22 -4.044 -5.147 1.760 167 HD21 LEU 22 HD21 LEU 22 -1.611 -7.024 2.109 168 HD22 LEU 22 HD22 LEU 22 -1.505 -5.259 1.914 169 HD23 LEU 22 HD23 LEU 22 -0.759 -6.044 3.326 170 H LYS 23 H LYS 23 -3.355 -3.268 6.935 171 HA LYS 23 HA LYS 23 -2.660 -0.541 6.533 172 HB2 LYS 23 HB2 LYS 23 -4.680 -1.267 7.760 173 HB3 LYS 23 HB3 LYS 23 -3.681 -1.924 9.047 174 HG2 LYS 23 HG2 LYS 23 -2.866 0.315 9.603 175 HG3 LYS 23 HG3 LYS 23 -3.791 1.003 8.262 176 HD2 LYS 23 HD2 LYS 23 -5.893 0.229 9.300 177 HD3 LYS 23 HD3 LYS 23 -4.976 -0.485 10.636 178 HE2 LYS 23 HE2 LYS 23 -4.106 1.754 11.234 179 HE3 LYS 23 HE3 LYS 23 -5.022 2.466 9.906 180 HZ1 LYS 23 HZ1 LYS 23 -6.173 2.681 11.983 181 HZ2 LYS 23 HZ2 LYS 23 -7.038 1.713 10.966 182 HZ3 LYS 23 HZ3 LYS 23 -6.183 1.048 12.208 183 H LYS 24 H LYS 24 -1.383 -2.958 8.825 184 HA LYS 24 HA LYS 24 0.475 -1.262 10.131 185 HB2 LYS 24 HB2 LYS 24 0.568 -4.242 9.532 186 HB3 LYS 24 HB3 LYS 24 1.751 -3.424 10.543 187 HG2 LYS 24 HG2 LYS 24 -0.005 -2.776 12.125 188 HG3 LYS 24 HG3 LYS 24 -1.230 -3.525 11.093 189 HD2 LYS 24 HD2 LYS 24 -0.058 -5.719 11.354 190 HD3 LYS 24 HD3 LYS 24 1.081 -4.945 12.467 191 HE2 LYS 24 HE2 LYS 24 -0.747 -4.384 13.999 192 HE3 LYS 24 HE3 LYS 24 -1.930 -5.053 12.873 193 HZ1 LYS 24 HZ1 LYS 24 -1.391 -6.599 14.608 194 HZ2 LYS 24 HZ2 LYS 24 -0.896 -7.201 13.155 195 HZ3 LYS 24 HZ3 LYS 24 0.210 -6.575 14.208 196 H GLY 25 H GLY 25 0.771 -3.147 7.129 197 HA2 GLY 25 HA2 GLY 25 3.490 -2.597 6.551 198 HA3 GLY 25 HA3 GLY 25 2.246 -2.913 5.357 199 H TYR 26 H TYR 26 0.520 -0.770 5.733 200 HA TYR 26 HA TYR 26 1.807 1.346 4.331 201 HB2 TYR 26 HB2 TYR 26 -0.597 1.049 4.185 202 HB3 TYR 26 HB3 TYR 26 -0.787 1.271 5.917 203 HD1 TYR 26 HD1 TYR 26 0.747 3.111 3.024 204 HD2 TYR 26 HD2 TYR 26 -1.599 3.298 6.611 205 HE1 TYR 26 HE1 TYR 26 0.407 5.534 2.676 206 HE2 TYR 26 HE2 TYR 26 -1.937 5.722 6.263 207 HH TYR 26 HH TYR 26 -0.776 7.341 3.348 208 H ARG 27 H ARG 27 0.965 1.004 7.778 209 HA ARG 27 HA ARG 27 1.754 3.579 8.614 210 HB2 ARG 27 HB2 ARG 27 1.825 0.916 10.063 211 HB3 ARG 27 HB3 ARG 27 2.180 2.447 10.848 212 HG2 ARG 27 HG2 ARG 27 -0.066 3.254 10.399 213 HG3 ARG 27 HG3 ARG 27 -0.438 1.772 9.484 214 HD2 ARG 27 HD2 ARG 27 -1.360 1.579 11.663 215 HD3 ARG 27 HD3 ARG 27 0.026 0.472 11.536 216 HE ARG 27 HE ARG 27 0.785 3.027 12.612 217 HH11 ARG 27 HH11 ARG 27 -0.716 -0.046 13.416 218 HH12 ARG 27 HH12 ARG 27 -0.287 0.045 15.109 219 HH21 ARG 27 HH21 ARG 27 1.337 3.134 14.812 220 HH22 ARG 27 HH22 ARG 27 0.876 1.844 15.901 221 H LYS 28 H LYS 28 3.668 0.593 8.266 222 HA LYS 28 HA LYS 28 6.118 1.729 9.240 223 HB2 LYS 28 HB2 LYS 28 5.546 -0.644 7.429 224 HB3 LYS 28 HB3 LYS 28 7.162 -0.219 7.971 225 HG2 LYS 28 HG2 LYS 28 6.484 -0.540 10.310 226 HG3 LYS 28 HG3 LYS 28 4.839 -0.925 9.787 227 HD2 LYS 28 HD2 LYS 28 5.712 -2.855 8.495 228 HD3 LYS 28 HD3 LYS 28 7.350 -2.476 9.047 229 HE2 LYS 28 HE2 LYS 28 6.650 -2.824 11.388 230 HE3 LYS 28 HE3 LYS 28 5.005 -3.176 10.853 231 HZ1 LYS 28 HZ1 LYS 28 6.251 -5.171 11.250 232 HZ2 LYS 28 HZ2 LYS 28 5.864 -5.066 9.649 233 HZ3 LYS 28 HZ3 LYS 28 7.402 -4.737 10.150 234 H ALA 29 H ALA 29 4.789 1.315 5.958 235 HA ALA 29 HA ALA 29 7.052 2.456 4.629 236 HB1 ALA 29 HB1 ALA 29 5.529 2.667 2.691 237 HB2 ALA 29 HB2 ALA 29 5.406 1.065 3.455 238 HB3 ALA 29 HB3 ALA 29 4.148 2.287 3.746 239 H ALA 30 H ALA 30 4.096 3.839 5.985 240 HA ALA 30 HA ALA 30 4.401 6.447 4.877 241 HB1 ALA 30 HB1 ALA 30 2.878 7.163 6.691 242 HB2 ALA 30 HB2 ALA 30 2.303 5.680 5.895 243 HB3 ALA 30 HB3 ALA 30 3.095 5.587 7.484 244 H LEU 31 H LEU 31 5.599 4.996 7.894 245 HA LEU 31 HA LEU 31 6.924 7.354 8.840 246 HB2 LEU 31 HB2 LEU 31 7.424 4.400 9.313 247 HB3 LEU 31 HB3 LEU 31 8.324 5.677 10.136 248 HG LEU 31 HG LEU 31 5.313 5.309 10.318 249 HD11 LEU 31 HD11 LEU 31 5.777 4.413 12.556 250 HD12 LEU 31 HD12 LEU 31 6.502 3.405 11.281 251 HD13 LEU 31 HD13 LEU 31 7.523 4.509 12.233 252 HD21 LEU 31 HD21 LEU 31 5.548 6.888 12.205 253 HD22 LEU 31 HD22 LEU 31 7.293 7.020 11.878 254 HD23 LEU 31 HD23 LEU 31 6.116 7.618 10.684 255 H LYS 32 H LYS 32 7.951 4.663 6.755 256 HA LYS 32 HA LYS 32 10.687 5.351 6.548 257 HB2 LYS 32 HB2 LYS 32 9.711 3.226 5.710 258 HB3 LYS 32 HB3 LYS 32 8.881 4.106 4.435 259 HG2 LYS 32 HG2 LYS 32 11.082 4.812 3.519 260 HG3 LYS 32 HG3 LYS 32 11.883 3.851 4.771 261 HD2 LYS 32 HD2 LYS 32 10.762 1.812 3.923 262 HD3 LYS 32 HD3 LYS 32 9.963 2.774 2.671 263 HE2 LYS 32 HE2 LYS 32 12.294 3.474 1.898 264 HE3 LYS 32 HE3 LYS 32 12.933 2.237 2.983 265 HZ1 LYS 32 HZ1 LYS 32 12.668 1.410 0.763 266 HZ2 LYS 32 HZ2 LYS 32 11.652 0.602 1.781 267 HZ3 LYS 32 HZ3 LYS 32 11.057 1.758 0.765 268 H TYR 33 H TYR 33 7.891 6.457 4.639 269 HA TYR 33 HA TYR 33 9.714 8.348 3.227 270 HB2 TYR 33 HB2 TYR 33 6.884 7.502 2.487 271 HB3 TYR 33 HB3 TYR 33 7.950 8.520 1.529 272 HD1 TYR 33 HD1 TYR 33 6.705 5.298 1.873 273 HD2 TYR 33 HD2 TYR 33 10.368 7.390 1.088 274 HE1 TYR 33 HE1 TYR 33 7.607 3.294 0.746 275 HE2 TYR 33 HE2 TYR 33 11.271 5.384 -0.039 276 HH TYR 33 HH TYR 33 9.274 2.540 -0.613 277 H HIS 34 H HIS 34 8.560 8.633 5.982 278 HA HIS 34 HA HIS 34 6.401 10.530 5.896 279 HB2 HIS 34 HB2 HIS 34 7.222 9.102 7.888 280 HB3 HIS 34 HB3 HIS 34 8.458 10.333 8.110 281 HD2 HIS 34 HD2 HIS 34 4.821 9.693 9.065 282 HE1 HIS 34 HE1 HIS 34 5.581 13.817 9.828 283 HE2 HIS 34 HE2 HIS 34 3.959 11.881 10.181 284 HA PRO 35 HA PRO 35 8.303 14.026 4.285 285 HB2 PRO 35 HB2 PRO 35 6.401 15.436 6.213 286 HB3 PRO 35 HB3 PRO 35 6.725 15.803 4.515 287 HG2 PRO 35 HG2 PRO 35 4.517 14.446 5.103 288 HG3 PRO 35 HG3 PRO 35 5.492 13.921 3.727 289 HD2 PRO 35 HD2 PRO 35 5.337 12.757 6.527 290 HD3 PRO 35 HD3 PRO 35 5.482 11.903 4.939 291 H ASP 36 H ASP 36 7.888 13.627 7.779 292 HA ASP 36 HA ASP 36 9.754 15.854 8.339 293 HB2 ASP 36 HB2 ASP 36 8.016 14.137 10.154 294 HB3 ASP 36 HB3 ASP 36 9.109 15.384 10.739 295 H LYS 37 H LYS 37 10.278 12.888 7.366 296 HA LYS 37 HA LYS 37 12.474 12.402 9.333 297 HB2 LYS 37 HB2 LYS 37 11.144 10.474 7.388 298 HB3 LYS 37 HB3 LYS 37 12.509 10.076 8.424 299 HG2 LYS 37 HG2 LYS 37 9.788 10.960 9.433 300 HG3 LYS 37 HG3 LYS 37 10.327 9.280 9.294 301 HD2 LYS 37 HD2 LYS 37 12.234 9.805 10.826 302 HD3 LYS 37 HD3 LYS 37 11.591 11.442 11.018 303 HE2 LYS 37 HE2 LYS 37 9.468 10.477 11.894 304 HE3 LYS 37 HE3 LYS 37 10.163 8.860 11.756 305 HZ1 LYS 37 HZ1 LYS 37 10.366 9.724 13.971 306 HZ2 LYS 37 HZ2 LYS 37 11.865 9.525 13.312 307 HZ3 LYS 37 HZ3 LYS 37 11.215 11.034 13.442 308 HA PRO 38 HA PRO 38 15.601 13.395 6.551 309 HB2 PRO 38 HB2 PRO 38 16.762 10.641 7.129 310 HB3 PRO 38 HB3 PRO 38 17.564 12.216 7.171 311 HG2 PRO 38 HG2 PRO 38 16.852 11.109 9.481 312 HG3 PRO 38 HG3 PRO 38 16.558 12.833 9.240 313 HD2 PRO 38 HD2 PRO 38 14.608 10.507 9.027 314 HD3 PRO 38 HD3 PRO 38 14.362 12.138 9.771 315 H THR 39 H THR 39 14.106 10.198 6.294 316 HA THR 39 HA THR 39 14.955 9.986 3.451 317 HB THR 39 HB THR 39 14.126 7.639 3.607 318 HG1 THR 39 HG1 THR 39 12.607 7.591 5.156 319 HG21 THR 39 HG21 THR 39 15.869 6.813 5.141 320 HG22 THR 39 HG22 THR 39 16.482 8.156 4.146 321 HG23 THR 39 HG23 THR 39 16.027 8.440 5.841 322 H GLY 40 H GLY 40 12.801 11.782 4.601 323 HA2 GLY 40 HA2 GLY 40 10.221 10.808 3.929 324 HA3 GLY 40 HA3 GLY 40 10.683 12.499 3.988 325 H ASP 41 H ASP 41 8.997 10.857 2.081 326 HA ASP 41 HA ASP 41 10.102 12.015 -0.385 327 HB2 ASP 41 HB2 ASP 41 11.159 9.763 -0.276 328 HB3 ASP 41 HB3 ASP 41 9.567 9.026 -0.164 329 H THR 42 H THR 42 8.388 13.256 -0.823 330 HA THR 42 HA THR 42 5.727 12.640 -0.041 331 HB THR 42 HB THR 42 6.716 14.558 -2.195 332 HG1 THR 42 HG1 THR 42 6.411 16.071 -0.460 333 HG21 THR 42 HG21 THR 42 4.538 15.669 -1.896 334 HG22 THR 42 HG22 THR 42 4.325 13.999 -2.474 335 HG23 THR 42 HG23 THR 42 4.037 14.391 -0.763 336 H GLU 43 H GLU 43 7.416 12.201 -3.140 337 HA GLU 43 HA GLU 43 5.182 11.421 -4.687 338 HB2 GLU 43 HB2 GLU 43 7.406 11.930 -5.642 339 HB3 GLU 43 HB3 GLU 43 8.074 10.486 -4.892 340 HG2 GLU 43 HG2 GLU 43 6.625 9.073 -6.262 341 HG3 GLU 43 HG3 GLU 43 5.882 10.499 -6.980 342 H LYS 44 H LYS 44 7.495 9.375 -2.874 343 HA LYS 44 HA LYS 44 6.071 6.938 -3.472 344 HB2 LYS 44 HB2 LYS 44 8.186 7.641 -1.407 345 HB3 LYS 44 HB3 LYS 44 7.512 6.025 -1.565 346 HG2 LYS 44 HG2 LYS 44 9.009 7.537 -3.727 347 HG3 LYS 44 HG3 LYS 44 9.650 6.224 -2.730 348 HD2 LYS 44 HD2 LYS 44 7.918 4.697 -3.650 349 HD3 LYS 44 HD3 LYS 44 7.318 6.013 -4.670 350 HE2 LYS 44 HE2 LYS 44 9.593 6.170 -5.715 351 HE3 LYS 44 HE3 LYS 44 10.087 4.762 -4.772 352 HZ1 LYS 44 HZ1 LYS 44 9.393 4.152 -6.971 353 HZ2 LYS 44 HZ2 LYS 44 8.361 3.501 -5.862 354 HZ3 LYS 44 HZ3 LYS 44 7.901 4.816 -6.745 355 H PHE 45 H PHE 45 5.946 9.293 -0.853 356 HA PHE 45 HA PHE 45 4.360 7.792 0.964 357 HB2 PHE 45 HB3 PHE 45 5.504 10.035 1.375 358 HB3 PHE 45 HB2 PHE 45 4.183 10.791 0.497 359 HD1 PHE 45 HD1 PHE 45 2.033 11.083 1.484 360 HD2 PHE 45 HD2 PHE 45 5.073 8.882 3.526 361 HE1 PHE 45 HE1 PHE 45 0.694 11.162 3.561 362 HE2 PHE 45 HE2 PHE 45 3.735 8.956 5.603 363 HZ PHE 45 HZ PHE 45 1.545 10.098 5.621 364 H LYS 46 H LYS 46 3.466 9.836 -1.806 365 HA LYS 46 HA LYS 46 0.623 9.531 -1.428 366 HB2 LYS 46 HB2 LYS 46 2.318 10.302 -3.830 367 HB3 LYS 46 HB3 LYS 46 0.562 10.233 -3.891 368 HG2 LYS 46 HG2 LYS 46 0.426 11.939 -2.114 369 HG3 LYS 46 HG3 LYS 46 2.192 12.006 -2.046 370 HD2 LYS 46 HD2 LYS 46 2.282 12.750 -4.384 371 HD3 LYS 46 HD3 LYS 46 0.522 12.611 -4.514 372 HE2 LYS 46 HE2 LYS 46 0.242 14.338 -2.778 373 HE3 LYS 46 HE3 LYS 46 1.995 14.466 -2.609 374 HZ1 LYS 46 HZ1 LYS 46 1.118 16.179 -4.019 375 HZ2 LYS 46 HZ2 LYS 46 2.104 15.189 -4.894 376 HZ3 LYS 46 HZ3 LYS 46 0.467 15.070 -5.052 377 H GLU 47 H GLU 47 3.080 7.731 -3.237 378 HA GLU 47 HA GLU 47 1.272 6.111 -4.733 379 HB2 GLU 47 HB2 GLU 47 4.141 5.688 -3.831 380 HB3 GLU 47 HB3 GLU 47 3.286 4.519 -4.828 381 HG2 GLU 47 HG2 GLU 47 2.940 6.266 -6.548 382 HG3 GLU 47 HG3 GLU 47 3.846 7.403 -5.552 383 H ILE 48 H ILE 48 2.821 5.635 -1.562 384 HA ILE 48 HA ILE 48 1.669 2.997 -1.206 385 HB ILE 48 HB ILE 48 2.529 3.174 1.107 386 HG12 ILE 48 HG12 ILE 48 3.338 6.006 0.421 387 HG13 ILE 48 HG13 ILE 48 1.914 5.598 1.363 388 HG21 ILE 48 HG21 ILE 48 4.910 3.488 0.565 389 HG22 ILE 48 HG22 ILE 48 4.084 2.550 -0.701 390 HG23 ILE 48 HG23 ILE 48 4.462 4.267 -0.971 391 HD11 ILE 48 HD11 ILE 48 3.775 6.202 2.805 392 HD12 ILE 48 HD12 ILE 48 3.325 4.496 3.046 393 HD13 ILE 48 HD13 ILE 48 4.770 4.910 2.092 394 H SER 49 H SER 49 0.658 6.271 -0.567 395 HA SER 49 HA SER 49 -1.440 5.617 1.302 396 HB2 SER 49 HB2 SER 49 -1.026 7.970 -0.568 397 HB3 SER 49 HB3 SER 49 -2.340 7.869 0.594 398 HG SER 49 HG SER 49 0.410 8.036 1.010 399 H GLU 50 H GLU 50 -1.332 6.044 -2.242 400 HA GLU 50 HA GLU 50 -4.055 5.351 -2.729 401 HB2 GLU 50 HB2 GLU 50 -2.569 6.329 -4.450 402 HB3 GLU 50 HB3 GLU 50 -1.590 4.868 -4.450 403 HG2 GLU 50 HG2 GLU 50 -3.524 3.571 -5.255 404 HG3 GLU 50 HG3 GLU 50 -4.498 5.040 -5.264 405 H ALA 51 H ALA 51 -1.102 3.336 -2.625 406 HA ALA 51 HA ALA 51 -2.307 0.847 -3.107 407 HB1 ALA 51 HB1 ALA 51 -0.399 -0.121 -1.867 408 HB2 ALA 51 HB2 ALA 51 0.123 1.164 -2.982 409 HB3 ALA 51 HB3 ALA 51 0.003 1.493 -1.238 410 H PHE 52 H PHE 52 -1.901 2.568 -0.010 411 HA PHE 52 HA PHE 52 -3.087 0.586 1.639 412 HB2 PHE 52 HB3 PHE 52 -1.883 2.438 2.627 413 HB3 PHE 52 HB2 PHE 52 -2.968 3.613 1.900 414 HD1 PHE 52 HD1 PHE 52 -3.103 0.638 4.169 415 HD2 PHE 52 HD2 PHE 52 -4.636 4.507 3.204 416 HE1 PHE 52 HE1 PHE 52 -4.521 0.580 6.193 417 HE2 PHE 52 HE2 PHE 52 -6.053 4.453 5.228 418 HZ PHE 52 HZ PHE 52 -5.996 2.488 6.722 419 H GLU 53 H GLU 53 -4.579 3.487 0.151 420 HA GLU 53 HA GLU 53 -7.167 3.121 1.161 421 HB2 GLU 53 HB2 GLU 53 -6.559 5.168 0.018 422 HB3 GLU 53 HB3 GLU 53 -6.235 4.308 -1.480 423 HG2 GLU 53 HG2 GLU 53 -8.321 5.443 -1.688 424 HG3 GLU 53 HG3 GLU 53 -8.637 3.712 -1.629 425 H ILE 54 H ILE 54 -5.778 1.861 -1.880 426 HA ILE 54 HA ILE 54 -8.199 0.559 -2.711 427 HB ILE 54 HB ILE 54 -5.288 0.161 -3.499 428 HG12 ILE 54 HG12 ILE 54 -7.581 1.380 -5.045 429 HG13 ILE 54 HG13 ILE 54 -6.464 2.316 -4.064 430 HG21 ILE 54 HG21 ILE 54 -6.137 -1.184 -5.378 431 HG22 ILE 54 HG22 ILE 54 -6.519 -1.951 -3.819 432 HG23 ILE 54 HG23 ILE 54 -7.786 -1.078 -4.713 433 HD11 ILE 54 HD11 ILE 54 -5.822 2.359 -6.410 434 HD12 ILE 54 HD12 ILE 54 -4.583 1.530 -5.436 435 HD13 ILE 54 HD13 ILE 54 -5.715 0.583 -6.431 436 H LEU 55 H LEU 55 -5.350 -0.518 -0.884 437 HA LEU 55 HA LEU 55 -6.348 -3.287 -0.864 438 HB2 LEU 55 HB2 LEU 55 -3.881 -2.022 0.383 439 HB3 LEU 55 HB3 LEU 55 -4.249 -3.751 0.390 440 HG LEU 55 HG LEU 55 -3.708 -2.066 -2.082 441 HD11 LEU 55 HD11 LEU 55 -1.617 -3.350 -2.179 442 HD12 LEU 55 HD12 LEU 55 -1.729 -2.388 -0.687 443 HD13 LEU 55 HD13 LEU 55 -2.032 -4.142 -0.641 444 HD21 LEU 55 HD21 LEU 55 -3.709 -4.252 -3.236 445 HD22 LEU 55 HD22 LEU 55 -4.152 -5.057 -1.712 446 HD23 LEU 55 HD23 LEU 55 -5.288 -3.924 -2.483 447 H ASN 56 H ASN 56 -6.837 -0.502 0.947 448 HA ASN 56 HA ASN 56 -7.239 -1.856 3.514 449 HB2 ASN 56 HB2 ASN 56 -6.583 0.531 3.385 450 HB3 ASN 56 HB3 ASN 56 -8.102 0.901 2.581 451 HD21 ASN 56 HD21 ASN 56 -9.720 1.451 5.571 452 HD22 ASN 56 HD22 ASN 56 -9.482 1.835 3.898 453 H ASP 57 H ASP 57 -9.445 -0.228 1.202 454 HA ASP 57 HA ASP 57 -11.801 -1.473 2.269 455 HB2 ASP 57 HB2 ASP 57 -11.811 0.591 0.859 456 HB3 ASP 57 HB3 ASP 57 -11.315 -0.369 -0.528 457 HA PRO 58 HA PRO 58 -10.898 -5.575 0.963 458 HB2 PRO 58 HB2 PRO 58 -13.905 -5.737 1.455 459 HB3 PRO 58 HB3 PRO 58 -12.642 -6.878 1.933 460 HG2 PRO 58 HG2 PRO 58 -13.577 -5.209 3.777 461 HG3 PRO 58 HG3 PRO 58 -11.834 -5.473 3.681 462 HD2 PRO 58 HD2 PRO 58 -13.483 -3.140 2.646 463 HD3 PRO 58 HD3 PRO 58 -11.858 -3.126 3.443 464 H GLN 59 H GLN 59 -13.633 -3.625 -0.205 465 HA GLN 59 HA GLN 59 -14.222 -5.299 -2.482 466 HB2 GLN 59 HB2 GLN 59 -14.922 -2.410 -1.835 467 HB3 GLN 59 HB3 GLN 59 -15.507 -3.253 -3.265 468 HG2 GLN 59 HG2 GLN 59 -16.648 -4.893 -1.866 469 HG3 GLN 59 HG3 GLN 59 -16.023 -4.084 -0.401 470 HE21 GLN 59 HE21 GLN 59 -19.530 -2.976 -1.094 471 HE22 GLN 59 HE22 GLN 59 -18.763 -4.514 -0.872 472 H LYS 60 H LYS 60 -12.347 -2.302 -2.034 473 HA LYS 60 HA LYS 60 -11.614 -2.069 -4.807 474 HB2 LYS 60 HB2 LYS 60 -10.387 -0.940 -2.264 475 HB3 LYS 60 HB3 LYS 60 -9.792 -0.555 -3.873 476 HG2 LYS 60 HG2 LYS 60 -12.004 0.387 -4.460 477 HG3 LYS 60 HG3 LYS 60 -12.579 0.024 -2.828 478 HD2 LYS 60 HD2 LYS 60 -10.788 1.478 -1.893 479 HD3 LYS 60 HD3 LYS 60 -10.267 1.869 -3.538 480 HE2 LYS 60 HE2 LYS 60 -12.539 2.790 -4.005 481 HE3 LYS 60 HE3 LYS 60 -12.993 2.465 -2.330 482 HZ1 LYS 60 HZ1 LYS 60 -12.304 4.728 -2.634 483 HZ2 LYS 60 HZ2 LYS 60 -11.249 3.956 -1.628 484 HZ3 LYS 60 HZ3 LYS 60 -10.825 4.261 -3.193 485 H ARG 61 H ARG 61 -10.113 -3.615 -1.991 486 HA ARG 61 HA ARG 61 -7.665 -4.343 -3.250 487 HB2 ARG 61 HB2 ARG 61 -8.034 -4.494 -0.819 488 HB3 ARG 61 HB3 ARG 61 -9.214 -5.774 -1.062 489 HG2 ARG 61 HG2 ARG 61 -7.503 -7.275 -1.885 490 HG3 ARG 61 HG3 ARG 61 -6.289 -5.975 -1.822 491 HD2 ARG 61 HD2 ARG 61 -6.044 -7.388 0.083 492 HD3 ARG 61 HD3 ARG 61 -6.671 -5.808 0.606 493 HE ARG 61 HE ARG 61 -8.532 -6.857 1.397 494 HH11 ARG 61 HH11 ARG 61 -7.017 -8.950 -0.982 495 HH12 ARG 61 HH12 ARG 61 -8.118 -10.281 -0.696 496 HH21 ARG 61 HH21 ARG 61 -9.954 -8.590 1.759 497 HH22 ARG 61 HH22 ARG 61 -9.779 -10.077 0.855 498 H GLU 62 H GLU 62 -10.773 -6.083 -2.961 499 HA GLU 62 HA GLU 62 -10.065 -8.434 -4.332 500 HB2 GLU 62 HB2 GLU 62 -12.233 -8.095 -3.182 501 HB3 GLU 62 HB3 GLU 62 -12.712 -6.931 -4.408 502 HG2 GLU 62 HG2 GLU 62 -12.650 -8.685 -6.122 503 HG3 GLU 62 HG3 GLU 62 -12.129 -9.857 -4.913 504 H ILE 63 H ILE 63 -11.275 -5.346 -5.656 505 HA ILE 63 HA ILE 63 -11.319 -6.140 -8.377 506 HB ILE 63 HB ILE 63 -10.895 -3.419 -7.083 507 HG12 ILE 63 HG12 ILE 63 -13.305 -4.519 -8.535 508 HG13 ILE 63 HG13 ILE 63 -13.083 -4.659 -6.799 509 HG21 ILE 63 HG21 ILE 63 -11.352 -2.459 -9.304 510 HG22 ILE 63 HG22 ILE 63 -9.861 -3.430 -9.322 511 HG23 ILE 63 HG23 ILE 63 -11.362 -4.091 -10.011 512 HD11 ILE 63 HD11 ILE 63 -14.503 -2.765 -7.351 513 HD12 ILE 63 HD12 ILE 63 -12.987 -2.212 -6.600 514 HD13 ILE 63 HD13 ILE 63 -13.214 -2.070 -8.360 515 H TYR 64 H TYR 64 -8.722 -4.630 -6.448 516 HA TYR 64 HA TYR 64 -6.822 -4.486 -8.574 517 HB2 TYR 64 HB2 TYR 64 -6.515 -3.224 -6.506 518 HB3 TYR 64 HB3 TYR 64 -6.438 -4.707 -5.564 519 HD1 TYR 64 HD1 TYR 64 -4.714 -2.907 -8.349 520 HD2 TYR 64 HD2 TYR 64 -4.393 -5.716 -5.120 521 HE1 TYR 64 HE1 TYR 64 -2.261 -2.971 -8.646 522 HE2 TYR 64 HE2 TYR 64 -1.940 -5.779 -5.419 523 HH TYR 64 HH TYR 64 -0.359 -3.989 -8.039 524 H ASP 65 H ASP 65 -7.360 -6.978 -6.071 525 HA ASP 65 HA ASP 65 -5.130 -8.585 -6.795 526 HB2 ASP 65 HB2 ASP 65 -7.764 -9.322 -5.459 527 HB3 ASP 65 HB3 ASP 65 -6.403 -10.427 -5.610 528 H GLN 66 H GLN 66 -8.432 -8.448 -8.036 529 HA GLN 66 HA GLN 66 -8.067 -10.961 -9.525 530 HB2 GLN 66 HB2 GLN 66 -10.408 -9.028 -9.317 531 HB3 GLN 66 HB3 GLN 66 -10.432 -10.496 -10.282 532 HG2 GLN 66 HG2 GLN 66 -10.018 -10.379 -7.288 533 HG3 GLN 66 HG3 GLN 66 -11.540 -10.792 -8.127 534 HE21 GLN 66 HE21 GLN 66 -9.150 -13.728 -7.134 535 HE22 GLN 66 HE22 GLN 66 -9.328 -12.195 -6.347 536 H TYR 67 H TYR 67 -8.159 -7.484 -10.124 537 HA TYR 67 HA TYR 67 -8.073 -8.058 -13.058 538 HB2 TYR 67 HB2 TYR 67 -9.321 -5.663 -11.648 539 HB3 TYR 67 HB3 TYR 67 -9.271 -5.921 -13.386 540 HD1 TYR 67 HD1 TYR 67 -10.329 -8.180 -14.232 541 HD2 TYR 67 HD2 TYR 67 -11.179 -6.335 -10.453 542 HE1 TYR 67 HE1 TYR 67 -12.468 -9.413 -14.111 543 HE2 TYR 67 HE2 TYR 67 -13.317 -7.568 -10.331 544 HH TYR 67 HH TYR 67 -14.296 -9.813 -12.912 545 H GLY 68 H GLY 68 -7.108 -5.723 -10.533 546 HA2 GLY 68 HA2 GLY 68 -4.583 -5.451 -10.488 547 HA3 GLY 68 HA3 GLY 68 -4.693 -5.127 -12.209 548 H LEU 69 H LEU 69 -3.494 -3.159 -11.212 549 HA LEU 69 HA LEU 69 -4.930 -1.297 -9.587 550 HB2 LEU 69 HB2 LEU 69 -2.484 -1.303 -9.750 551 HB3 LEU 69 HB3 LEU 69 -2.575 -0.882 -11.463 552 HG LEU 69 HG LEU 69 -3.556 1.312 -10.866 553 HD11 LEU 69 HD11 LEU 69 -3.601 2.010 -8.513 554 HD12 LEU 69 HD12 LEU 69 -4.687 0.632 -8.810 555 HD13 LEU 69 HD13 LEU 69 -3.115 0.371 -8.017 556 HD21 LEU 69 HD21 LEU 69 -1.501 2.251 -9.866 557 HD22 LEU 69 HD22 LEU 69 -0.985 0.615 -9.389 558 HD23 LEU 69 HD23 LEU 69 -1.112 1.041 -11.113 559 H GLU 70 H GLU 70 -4.377 -1.468 -13.107 560 HA GLU 70 HA GLU 70 -5.560 0.927 -13.897 561 HB2 GLU 70 HB2 GLU 70 -4.458 -0.669 -15.444 562 HB3 GLU 70 HB3 GLU 70 -5.802 -1.788 -15.259 563 HG2 GLU 70 HG2 GLU 70 -7.322 -0.148 -16.272 564 HG3 GLU 70 HG3 GLU 70 -5.991 0.995 -16.434 565 H ALA 71 H ALA 71 -7.195 -2.192 -13.285 566 HA ALA 71 HA ALA 71 -9.827 -1.173 -13.791 567 HB1 ALA 71 HB1 ALA 71 -10.598 -3.230 -12.652 568 HB2 ALA 71 HB2 ALA 71 -9.321 -3.574 -13.842 569 HB3 ALA 71 HB3 ALA 71 -8.933 -3.541 -12.107 570 H ALA 72 H ALA 72 -7.859 -1.467 -10.855 571 HA ALA 72 HA ALA 72 -9.886 -0.716 -9.010 572 HB1 ALA 72 HB1 ALA 72 -8.012 -0.142 -7.501 573 HB2 ALA 72 HB2 ALA 72 -7.753 -1.708 -8.309 574 HB3 ALA 72 HB3 ALA 72 -6.883 -0.260 -8.871 575 H ARG 73 H ARG 73 -7.730 1.198 -11.045 576 HA ARG 73 HA ARG 73 -8.498 3.716 -9.791 577 HB2 ARG 73 HB2 ARG 73 -6.937 3.010 -12.289 578 HB3 ARG 73 HB3 ARG 73 -7.321 4.672 -11.864 579 HG2 ARG 73 HG2 ARG 73 -6.085 4.441 -9.761 580 HG3 ARG 73 HG3 ARG 73 -5.717 2.746 -10.161 581 HD2 ARG 73 HD2 ARG 73 -4.389 3.365 -11.989 582 HD3 ARG 73 HD3 ARG 73 -4.978 5.043 -11.944 583 HE ARG 73 HE ARG 73 -3.789 4.515 -9.464 584 HH11 ARG 73 HH11 ARG 73 -2.846 4.706 -12.844 585 HH12 ARG 73 HH12 ARG 73 -1.211 5.217 -12.488 586 HH21 ARG 73 HH21 ARG 73 -1.664 5.180 -9.016 587 HH22 ARG 73 HH22 ARG 73 -0.542 5.486 -10.321 588 H SER 74 H SER 74 -9.391 1.890 -12.698 589 HA SER 74 HA SER 74 -11.026 4.093 -13.723 590 HB2 SER 74 HB2 SER 74 -11.474 2.642 -15.585 591 HB3 SER 74 HB3 SER 74 -9.765 2.518 -15.199 592 HG SER 74 HG SER 74 -11.695 0.780 -14.141 593 H GLY 75 H GLY 75 -11.446 1.356 -11.658 594 HA2 GLY 75 HA2 GLY 75 -13.492 1.272 -10.296 595 HA3 GLY 75 HA3 GLY 75 -14.403 1.815 -11.691 596 H GLY 76 H GLY 76 -14.554 -0.645 -9.941 597 HA2 GLY 76 HA2 GLY 76 -13.716 -2.868 -11.662 598 HA3 GLY 76 HA3 GLY 76 -14.534 -2.990 -10.115 599 HA PRO 77 HA PRO 77 -17.484 -3.547 -13.717 600 HB2 PRO 77 HB2 PRO 77 -17.817 -6.268 -13.707 601 HB3 PRO 77 HB3 PRO 77 -16.499 -5.489 -14.592 602 HG2 PRO 77 HG2 PRO 77 -16.449 -6.764 -11.824 603 HG3 PRO 77 HG3 PRO 77 -15.318 -7.003 -13.159 604 HD2 PRO 77 HD2 PRO 77 -14.778 -5.259 -11.131 605 HD3 PRO 77 HD3 PRO 77 -14.252 -4.929 -12.829 606 H SER 78 H SER 78 -19.739 -4.006 -13.510 607 HA SER 78 HA SER 78 -21.738 -4.136 -12.377 608 HB2 SER 78 HB2 SER 78 -20.886 -6.484 -12.027 609 HB3 SER 78 HB3 SER 78 -20.254 -5.971 -10.472 610 HG SER 78 HG SER 78 -22.341 -6.908 -10.421 611 H PHE 79 H PHE 79 -22.252 -4.503 -9.603 612 HA PHE 79 HA PHE 79 -21.898 -1.777 -8.717 613 HB2 PHE 79 HB3 PHE 79 -23.893 -3.130 -8.139 614 HB3 PHE 79 HB2 PHE 79 -22.890 -4.226 -7.202 615 HD1 PHE 79 HD1 PHE 79 -23.957 -0.666 -7.425 616 HD2 PHE 79 HD2 PHE 79 -22.439 -3.803 -4.954 617 HE1 PHE 79 HE1 PHE 79 -24.265 0.760 -5.430 618 HE2 PHE 79 HE2 PHE 79 -22.748 -2.381 -2.955 619 HZ PHE 79 HZ PHE 79 -23.660 -0.098 -3.194 620 H GLY 80 H GLY 80 -20.361 -0.878 -7.538 621 HA2 GLY 80 HA2 GLY 80 -19.017 -1.693 -5.340 622 HA3 GLY 80 HA3 GLY 80 -18.133 -2.564 -6.578 623 HA PRO 81 HA PRO 81 -16.378 1.740 -5.922 624 HB2 PRO 81 HB2 PRO 81 -13.895 -0.006 -6.032 625 HB3 PRO 81 HB3 PRO 81 -14.217 1.408 -5.020 626 HG2 PRO 81 HG2 PRO 81 -14.399 -1.007 -3.912 627 HG3 PRO 81 HG3 PRO 81 -15.633 0.201 -3.535 628 HD2 PRO 81 HD2 PRO 81 -15.759 -2.117 -5.508 629 HD3 PRO 81 HD3 PRO 81 -17.011 -1.554 -4.331 Start of MODEL 20 1 HA SER 1 HA SER 1 -4.767 -15.949 -5.986 2 HB2 SER 1 HB2 SER 1 -3.550 -16.180 -8.042 3 HB3 SER 1 HB3 SER 1 -5.012 -17.146 -8.170 4 HG SER 1 HG SER 1 -4.899 -14.489 -9.047 5 H VAL 2 H VAL 2 -2.828 -14.526 -6.951 6 HA VAL 2 HA VAL 2 -3.765 -11.703 -6.660 7 HB VAL 2 HB VAL 2 -1.044 -12.903 -5.983 8 HG11 VAL 2 HG11 VAL 2 -0.600 -10.743 -4.924 9 HG12 VAL 2 HG12 VAL 2 -0.888 -10.581 -6.673 10 HG13 VAL 2 HG13 VAL 2 -2.163 -10.133 -5.514 11 HG21 VAL 2 HG21 VAL 2 -1.734 -12.534 -3.636 12 HG22 VAL 2 HG22 VAL 2 -3.332 -11.985 -4.194 13 HG23 VAL 2 HG23 VAL 2 -2.828 -13.672 -4.457 14 H LYS 3 H LYS 3 -3.901 -10.822 -8.622 15 HA LYS 3 HA LYS 3 -2.267 -11.712 -10.838 16 HB2 LYS 3 HB2 LYS 3 -4.570 -10.844 -11.137 17 HB3 LYS 3 HB3 LYS 3 -4.055 -9.263 -10.566 18 HG2 LYS 3 HG2 LYS 3 -2.569 -9.011 -12.494 19 HG3 LYS 3 HG3 LYS 3 -2.996 -10.633 -13.055 20 HD2 LYS 3 HD2 LYS 3 -5.338 -9.955 -13.331 21 HD3 LYS 3 HD3 LYS 3 -4.967 -8.348 -12.690 22 HE2 LYS 3 HE2 LYS 3 -3.415 -7.954 -14.575 23 HE3 LYS 3 HE3 LYS 3 -3.786 -9.554 -15.218 24 HZ1 LYS 3 HZ1 LYS 3 -5.062 -7.854 -16.297 25 HZ2 LYS 3 HZ2 LYS 3 -6.069 -8.862 -15.468 26 HZ3 LYS 3 HZ3 LYS 3 -5.722 -7.365 -14.868 27 H GLU 4 H GLU 4 -2.492 -8.521 -9.214 28 HA GLU 4 HA GLU 4 0.307 -8.021 -10.130 29 HB2 GLU 4 HB2 GLU 4 -1.930 -6.067 -9.459 30 HB3 GLU 4 HB3 GLU 4 -0.279 -5.592 -9.827 31 HG2 GLU 4 HG2 GLU 4 -0.493 -6.606 -12.068 32 HG3 GLU 4 HG3 GLU 4 -2.158 -7.050 -11.697 33 H THR 5 H THR 5 1.812 -7.122 -8.736 34 HA THR 5 HA THR 5 1.066 -7.306 -5.847 35 HB THR 5 HB THR 5 3.399 -7.980 -5.388 36 HG1 THR 5 HG1 THR 5 4.700 -7.311 -6.951 37 HG21 THR 5 HG21 THR 5 3.314 -10.228 -6.395 38 HG22 THR 5 HG22 THR 5 1.709 -9.733 -5.808 39 HG23 THR 5 HG23 THR 5 2.078 -9.670 -7.547 40 H LYS 6 H LYS 6 1.476 -5.097 -8.115 41 HA LYS 6 HA LYS 6 3.728 -3.553 -7.474 42 HB2 LYS 6 HB2 LYS 6 2.299 -3.162 -9.456 43 HB3 LYS 6 HB3 LYS 6 0.999 -2.587 -8.421 44 HG2 LYS 6 HG2 LYS 6 2.364 -0.681 -7.711 45 HG3 LYS 6 HG3 LYS 6 3.721 -1.275 -8.680 46 HD2 LYS 6 HD2 LYS 6 2.365 -1.049 -10.731 47 HD3 LYS 6 HD3 LYS 6 0.993 -0.481 -9.769 48 HE2 LYS 6 HE2 LYS 6 2.285 1.475 -9.035 49 HE3 LYS 6 HE3 LYS 6 3.702 0.896 -9.916 50 HZ1 LYS 6 HZ1 LYS 6 2.511 2.552 -11.151 51 HZ2 LYS 6 HZ2 LYS 6 2.450 1.111 -11.953 52 HZ3 LYS 6 HZ3 LYS 6 1.128 1.653 -11.130 53 H LEU 7 H LEU 7 0.419 -3.265 -6.147 54 HA LEU 7 HA LEU 7 1.127 -1.023 -4.470 55 HB2 LEU 7 HB2 LEU 7 -1.251 -2.912 -4.390 56 HB3 LEU 7 HB3 LEU 7 -1.108 -1.431 -3.438 57 HG LEU 7 HG LEU 7 -1.298 -1.627 -6.463 58 HD11 LEU 7 HD11 LEU 7 -3.435 -0.472 -6.108 59 HD12 LEU 7 HD12 LEU 7 -3.392 -2.044 -5.279 60 HD13 LEU 7 HD13 LEU 7 -3.180 -0.542 -4.350 61 HD21 LEU 7 HD21 LEU 7 -1.315 0.844 -6.389 62 HD22 LEU 7 HD22 LEU 7 -1.031 0.793 -4.632 63 HD23 LEU 7 HD23 LEU 7 0.216 0.194 -5.753 64 H TYR 8 H TYR 8 0.948 -4.522 -4.021 65 HA TYR 8 HA TYR 8 1.349 -4.474 -1.170 66 HB2 TYR 8 HB2 TYR 8 1.940 -6.620 -3.247 67 HB3 TYR 8 HB3 TYR 8 2.063 -6.866 -1.510 68 HD1 TYR 8 HD1 TYR 8 -0.031 -7.148 -4.318 69 HD2 TYR 8 HD2 TYR 8 -0.102 -6.223 -0.130 70 HE1 TYR 8 HE1 TYR 8 -2.432 -7.728 -4.230 71 HE2 TYR 8 HE2 TYR 8 -2.502 -6.803 -0.040 72 HH TYR 8 HH TYR 8 -4.236 -7.908 -2.943 73 H ASP 9 H ASP 9 3.514 -4.400 -3.948 74 HA ASP 9 HA ASP 9 5.915 -4.818 -2.379 75 HB2 ASP 9 HB2 ASP 9 5.459 -3.730 -5.183 76 HB3 ASP 9 HB3 ASP 9 7.055 -3.957 -4.480 77 H LEU 10 H LEU 10 4.095 -2.005 -3.519 78 HA LEU 10 HA LEU 10 5.957 -0.006 -2.712 79 HB2 LEU 10 HB2 LEU 10 2.933 -0.012 -2.934 80 HB3 LEU 10 HB3 LEU 10 3.857 1.431 -2.508 81 HG LEU 10 HG LEU 10 4.198 -0.117 -5.099 82 HD11 LEU 10 HD11 LEU 10 2.958 1.738 -6.121 83 HD12 LEU 10 HD12 LEU 10 1.964 0.856 -4.936 84 HD13 LEU 10 HD13 LEU 10 2.671 2.434 -4.508 85 HD21 LEU 10 HD21 LEU 10 5.439 1.909 -5.781 86 HD22 LEU 10 HD22 LEU 10 5.187 2.608 -4.164 87 HD23 LEU 10 HD23 LEU 10 6.189 1.148 -4.357 88 H LEU 11 H LEU 11 3.372 -1.694 -0.950 89 HA LEU 11 HA LEU 11 3.884 -0.190 1.500 90 HB2 LEU 11 HB2 LEU 11 2.233 -2.681 0.949 91 HB3 LEU 11 HB3 LEU 11 2.294 -1.845 2.503 92 HG LEU 11 HG LEU 11 1.215 -0.711 -0.102 93 HD11 LEU 11 HD11 LEU 11 -0.940 -0.813 1.071 94 HD12 LEU 11 HD12 LEU 11 -0.208 -2.425 0.900 95 HD13 LEU 11 HD13 LEU 11 -0.145 -1.581 2.465 96 HD21 LEU 11 HD21 LEU 11 0.536 1.204 1.307 97 HD22 LEU 11 HD22 LEU 11 1.352 0.465 2.706 98 HD23 LEU 11 HD23 LEU 11 2.305 1.008 1.303 99 H GLY 12 H GLY 12 4.944 -3.189 0.044 100 HA2 GLY 12 HA2 GLY 12 6.809 -4.478 0.650 101 HA3 GLY 12 HA3 GLY 12 7.030 -3.478 2.073 102 H VAL 13 H VAL 13 4.188 -5.354 0.969 103 HA VAL 13 HA VAL 13 4.398 -7.044 3.401 104 HB VAL 13 HB VAL 13 3.019 -5.075 4.029 105 HG11 VAL 13 HG11 VAL 13 0.853 -4.694 2.956 106 HG12 VAL 13 HG12 VAL 13 2.208 -4.465 1.825 107 HG13 VAL 13 HG13 VAL 13 1.228 -5.950 1.755 108 HG21 VAL 13 HG21 VAL 13 1.038 -6.340 4.803 109 HG22 VAL 13 HG22 VAL 13 1.427 -7.646 3.659 110 HG23 VAL 13 HG23 VAL 13 2.529 -7.289 5.010 111 H SER 14 H SER 14 3.498 -9.048 3.220 112 HA SER 14 HA SER 14 3.161 -10.113 0.601 113 HB2 SER 14 HB2 SER 14 3.870 -11.517 2.438 114 HB3 SER 14 HB3 SER 14 2.391 -11.191 3.330 115 HG SER 14 HG SER 14 2.882 -13.018 1.483 116 HA PRO 15 HA PRO 15 -1.005 -9.141 -0.237 117 HB2 PRO 15 HB2 PRO 15 -1.521 -10.973 -2.220 118 HB3 PRO 15 HB3 PRO 15 -0.472 -9.573 -2.476 119 HG2 PRO 15 HG2 PRO 15 0.301 -12.441 -1.788 120 HG3 PRO 15 HG3 PRO 15 0.973 -11.399 -3.045 121 HD2 PRO 15 HD2 PRO 15 2.214 -11.675 -0.641 122 HD3 PRO 15 HD3 PRO 15 2.211 -10.092 -1.518 123 H SER 16 H SER 16 0.094 -12.145 1.019 124 HA SER 16 HA SER 16 -2.520 -13.368 1.380 125 HB2 SER 16 HB2 SER 16 -1.362 -14.973 2.752 126 HB3 SER 16 HB3 SER 16 -0.387 -14.654 1.327 127 HG SER 16 HG SER 16 0.868 -13.277 2.529 128 H ALA 17 H ALA 17 -0.898 -10.765 2.823 129 HA ALA 17 HA ALA 17 -1.947 -11.069 5.503 130 HB1 ALA 17 HB1 ALA 17 -1.240 -8.716 5.790 131 HB2 ALA 17 HB2 ALA 17 0.045 -9.706 5.055 132 HB3 ALA 17 HB3 ALA 17 -0.921 -8.607 4.044 133 H ASN 18 H ASN 18 -3.655 -10.046 6.501 134 HA ASN 18 HA ASN 18 -5.878 -9.355 4.698 135 HB2 ASN 18 HB2 ASN 18 -7.259 -9.400 6.680 136 HB3 ASN 18 HB3 ASN 18 -6.237 -10.830 6.662 137 HD21 ASN 18 HD21 ASN 18 -5.797 -9.965 10.052 138 HD22 ASN 18 HD22 ASN 18 -6.727 -10.918 8.945 139 H GLU 19 H GLU 19 -7.358 -7.518 5.724 140 HA GLU 19 HA GLU 19 -6.047 -5.184 4.794 141 HB2 GLU 19 HB2 GLU 19 -8.616 -5.558 6.376 142 HB3 GLU 19 HB3 GLU 19 -8.089 -3.994 5.770 143 HG2 GLU 19 HG2 GLU 19 -9.546 -4.680 4.132 144 HG3 GLU 19 HG3 GLU 19 -7.992 -5.167 3.459 145 H GLN 20 H GLN 20 -6.478 -6.474 8.039 146 HA GLN 20 HA GLN 20 -5.728 -4.068 9.430 147 HB2 GLN 20 HB2 GLN 20 -5.687 -6.995 10.254 148 HB3 GLN 20 HB3 GLN 20 -5.290 -5.679 11.348 149 HG2 GLN 20 HG2 GLN 20 -7.518 -4.751 11.124 150 HG3 GLN 20 HG3 GLN 20 -7.935 -5.999 9.915 151 HE21 GLN 20 HE21 GLN 20 -9.175 -6.892 13.374 152 HE22 GLN 20 HE22 GLN 20 -9.289 -5.452 12.418 153 H GLU 21 H GLU 21 -3.915 -6.946 8.369 154 HA GLU 21 HA GLU 21 -1.405 -5.967 9.445 155 HB2 GLU 21 HB2 GLU 21 -2.065 -8.172 7.455 156 HB3 GLU 21 HB3 GLU 21 -0.435 -7.828 8.017 157 HG2 GLU 21 HG2 GLU 21 -2.765 -8.653 9.765 158 HG3 GLU 21 HG3 GLU 21 -1.466 -9.705 9.205 159 H LEU 22 H LEU 22 -3.081 -5.769 6.352 160 HA LEU 22 HA LEU 22 -0.909 -4.671 4.845 161 HB2 LEU 22 HB2 LEU 22 -3.917 -4.360 4.583 162 HB3 LEU 22 HB3 LEU 22 -2.763 -3.726 3.407 163 HG LEU 22 HG LEU 22 -3.048 -6.666 4.117 164 HD11 LEU 22 HD11 LEU 22 -4.181 -6.855 1.947 165 HD12 LEU 22 HD12 LEU 22 -5.078 -5.801 3.068 166 HD13 LEU 22 HD13 LEU 22 -4.109 -5.089 1.756 167 HD21 LEU 22 HD21 LEU 22 -1.677 -6.972 2.084 168 HD22 LEU 22 HD22 LEU 22 -1.569 -5.205 1.891 169 HD23 LEU 22 HD23 LEU 22 -0.815 -5.996 3.297 170 H LYS 23 H LYS 23 -3.397 -3.204 6.917 171 HA LYS 23 HA LYS 23 -2.672 -0.488 6.515 172 HB2 LYS 23 HB2 LYS 23 -4.695 -1.182 7.748 173 HB3 LYS 23 HB3 LYS 23 -3.703 -1.865 9.028 174 HG2 LYS 23 HG2 LYS 23 -2.851 0.354 9.601 175 HG3 LYS 23 HG3 LYS 23 -3.767 1.069 8.265 176 HD2 LYS 23 HD2 LYS 23 -5.880 0.324 9.303 177 HD3 LYS 23 HD3 LYS 23 -4.973 -0.419 10.628 178 HE2 LYS 23 HE2 LYS 23 -4.064 1.797 11.246 179 HE3 LYS 23 HE3 LYS 23 -4.970 2.540 9.926 180 HZ1 LYS 23 HZ1 LYS 23 -6.112 2.753 12.009 181 HZ2 LYS 23 HZ2 LYS 23 -6.996 1.810 10.985 182 HZ3 LYS 23 HZ3 LYS 23 -6.150 1.118 12.220 183 H LYS 24 H LYS 24 -1.415 -2.910 8.814 184 HA LYS 24 HA LYS 24 0.464 -1.227 10.106 185 HB2 LYS 24 HB2 LYS 24 0.522 -4.212 9.525 186 HB3 LYS 24 HB3 LYS 24 1.716 -3.401 10.529 187 HG2 LYS 24 HG2 LYS 24 -0.027 -2.725 12.110 188 HG3 LYS 24 HG3 LYS 24 -1.264 -3.467 11.084 189 HD2 LYS 24 HD2 LYS 24 -0.118 -5.671 11.358 190 HD3 LYS 24 HD3 LYS 24 1.035 -4.905 12.460 191 HE2 LYS 24 HE2 LYS 24 -0.778 -4.312 13.998 192 HE3 LYS 24 HE3 LYS 24 -1.976 -4.973 12.881 193 HZ1 LYS 24 HZ1 LYS 24 -1.448 -6.514 14.623 194 HZ2 LYS 24 HZ2 LYS 24 -0.968 -7.132 13.169 195 HZ3 LYS 24 HZ3 LYS 24 0.150 -6.514 14.214 196 H GLY 25 H GLY 25 0.720 -3.111 7.104 197 HA2 GLY 25 HA2 GLY 25 3.441 -2.608 6.506 198 HA3 GLY 25 HA3 GLY 25 2.180 -2.883 5.318 199 H TYR 26 H TYR 26 0.503 -0.709 5.741 200 HA TYR 26 HA TYR 26 1.837 1.396 4.355 201 HB2 TYR 26 HB2 TYR 26 -0.580 1.121 4.201 202 HB3 TYR 26 HB3 TYR 26 -0.765 1.372 5.931 203 HD1 TYR 26 HD1 TYR 26 0.817 3.141 3.019 204 HD2 TYR 26 HD2 TYR 26 -1.548 3.423 6.589 205 HE1 TYR 26 HE1 TYR 26 0.529 5.564 2.636 206 HE2 TYR 26 HE2 TYR 26 -1.836 5.848 6.204 207 HH TYR 26 HH TYR 26 -0.657 7.399 3.267 208 H ARG 27 H ARG 27 0.988 1.008 7.793 209 HA ARG 27 HA ARG 27 1.792 3.561 8.677 210 HB2 ARG 27 HB2 ARG 27 1.863 0.867 10.068 211 HB3 ARG 27 HB3 ARG 27 2.228 2.379 10.886 212 HG2 ARG 27 HG2 ARG 27 -0.022 3.203 10.450 213 HG3 ARG 27 HG3 ARG 27 -0.401 1.726 9.531 214 HD2 ARG 27 HD2 ARG 27 -1.304 1.522 11.717 215 HD3 ARG 27 HD3 ARG 27 0.082 0.416 11.573 216 HE ARG 27 HE ARG 27 0.851 2.966 12.654 217 HH11 ARG 27 HH11 ARG 27 -0.654 -0.104 13.461 218 HH12 ARG 27 HH12 ARG 27 -0.214 -0.019 15.151 219 HH21 ARG 27 HH21 ARG 27 1.416 3.065 14.850 220 HH22 ARG 27 HH22 ARG 27 0.959 1.775 15.940 221 H LYS 28 H LYS 28 3.696 0.580 8.251 222 HA LYS 28 HA LYS 28 6.158 1.701 9.223 223 HB2 LYS 28 HB2 LYS 28 5.566 -0.652 7.389 224 HB3 LYS 28 HB3 LYS 28 7.189 -0.235 7.924 225 HG2 LYS 28 HG2 LYS 28 6.529 -0.584 10.265 226 HG3 LYS 28 HG3 LYS 28 4.879 -0.960 9.751 227 HD2 LYS 28 HD2 LYS 28 5.737 -2.877 8.426 228 HD3 LYS 28 HD3 LYS 28 7.380 -2.506 8.973 229 HE2 LYS 28 HE2 LYS 28 6.697 -2.883 11.313 230 HE3 LYS 28 HE3 LYS 28 5.046 -3.222 10.787 231 HZ1 LYS 28 HZ1 LYS 28 6.287 -5.227 11.148 232 HZ2 LYS 28 HZ2 LYS 28 5.887 -5.100 9.552 233 HZ3 LYS 28 HZ3 LYS 28 7.429 -4.783 10.045 234 H ALA 29 H ALA 29 4.802 1.310 5.945 235 HA ALA 29 HA ALA 29 7.057 2.471 4.614 236 HB1 ALA 29 HB1 ALA 29 5.528 2.678 2.682 237 HB2 ALA 29 HB2 ALA 29 5.418 1.072 3.441 238 HB3 ALA 29 HB3 ALA 29 4.152 2.285 3.738 239 H ALA 30 H ALA 30 4.124 3.825 6.031 240 HA ALA 30 HA ALA 30 4.382 6.441 4.919 241 HB1 ALA 30 HB1 ALA 30 2.890 7.137 6.765 242 HB2 ALA 30 HB2 ALA 30 2.311 5.652 5.975 243 HB3 ALA 30 HB3 ALA 30 3.135 5.560 7.548 244 H LEU 31 H LEU 31 5.641 4.994 7.916 245 HA LEU 31 HA LEU 31 6.990 7.351 8.828 246 HB2 LEU 31 HB2 LEU 31 7.510 4.396 9.283 247 HB3 LEU 31 HB3 LEU 31 8.424 5.675 10.087 248 HG LEU 31 HG LEU 31 5.420 5.292 10.340 249 HD11 LEU 31 HD11 LEU 31 5.943 4.401 12.567 250 HD12 LEU 31 HD12 LEU 31 6.643 3.398 11.275 251 HD13 LEU 31 HD13 LEU 31 7.680 4.507 12.203 252 HD21 LEU 31 HD21 LEU 31 5.690 6.875 12.220 253 HD22 LEU 31 HD22 LEU 31 7.425 7.018 11.851 254 HD23 LEU 31 HD23 LEU 31 6.217 7.608 10.686 255 H LYS 32 H LYS 32 7.954 4.676 6.697 256 HA LYS 32 HA LYS 32 10.689 5.347 6.429 257 HB2 LYS 32 HB2 LYS 32 9.691 3.239 5.590 258 HB3 LYS 32 HB3 LYS 32 8.815 4.134 4.358 259 HG2 LYS 32 HG2 LYS 32 10.920 4.806 3.304 260 HG3 LYS 32 HG3 LYS 32 11.835 3.978 4.572 261 HD2 LYS 32 HD2 LYS 32 10.808 1.825 3.910 262 HD3 LYS 32 HD3 LYS 32 9.890 2.653 2.645 263 HE2 LYS 32 HE2 LYS 32 11.999 3.346 1.561 264 HE3 LYS 32 HE3 LYS 32 12.924 2.538 2.829 265 HZ1 LYS 32 HZ1 LYS 32 12.721 1.175 0.881 266 HZ2 LYS 32 HZ2 LYS 32 11.936 0.460 2.145 267 HZ3 LYS 32 HZ3 LYS 32 11.074 1.215 0.959 268 H TYR 33 H TYR 33 7.848 6.508 4.622 269 HA TYR 33 HA TYR 33 9.643 8.450 3.238 270 HB2 TYR 33 HB2 TYR 33 6.861 7.483 2.464 271 HB3 TYR 33 HB3 TYR 33 7.822 8.648 1.565 272 HD1 TYR 33 HD1 TYR 33 6.894 5.292 1.772 273 HD2 TYR 33 HD2 TYR 33 10.289 7.787 0.968 274 HE1 TYR 33 HE1 TYR 33 7.949 3.449 0.510 275 HE2 TYR 33 HE2 TYR 33 11.346 5.944 -0.295 276 HH TYR 33 HH TYR 33 11.113 3.880 -1.077 277 H HIS 34 H HIS 34 8.532 8.670 5.986 278 HA HIS 34 HA HIS 34 6.324 10.516 5.970 279 HB2 HIS 34 HB2 HIS 34 7.217 9.082 7.924 280 HB3 HIS 34 HB3 HIS 34 8.429 10.337 8.137 281 HD2 HIS 34 HD2 HIS 34 4.837 9.600 9.174 282 HE1 HIS 34 HE1 HIS 34 5.505 13.739 9.942 283 HE2 HIS 34 HE2 HIS 34 3.945 11.758 10.325 284 HA PRO 35 HA PRO 35 8.120 14.068 4.360 285 HB2 PRO 35 HB2 PRO 35 6.222 15.415 6.335 286 HB3 PRO 35 HB3 PRO 35 6.509 15.809 4.635 287 HG2 PRO 35 HG2 PRO 35 4.340 14.397 5.243 288 HG3 PRO 35 HG3 PRO 35 5.305 13.908 3.847 289 HD2 PRO 35 HD2 PRO 35 5.221 12.711 6.635 290 HD3 PRO 35 HD3 PRO 35 5.359 11.877 5.036 291 H ASP 36 H ASP 36 7.772 13.626 7.855 292 HA ASP 36 HA ASP 36 9.597 15.889 8.408 293 HB2 ASP 36 HB2 ASP 36 7.933 14.110 10.231 294 HB3 ASP 36 HB3 ASP 36 9.009 15.374 10.815 295 H LYS 37 H LYS 37 10.156 12.929 7.406 296 HA LYS 37 HA LYS 37 12.408 12.482 9.318 297 HB2 LYS 37 HB2 LYS 37 11.080 10.540 7.385 298 HB3 LYS 37 HB3 LYS 37 12.474 10.165 8.389 299 HG2 LYS 37 HG2 LYS 37 9.755 10.978 9.458 300 HG3 LYS 37 HG3 LYS 37 10.331 9.313 9.299 301 HD2 LYS 37 HD2 LYS 37 12.255 9.874 10.796 302 HD3 LYS 37 HD3 LYS 37 11.578 11.494 11.011 303 HE2 LYS 37 HE2 LYS 37 9.495 10.476 11.923 304 HE3 LYS 37 HE3 LYS 37 10.225 8.877 11.762 305 HZ1 LYS 37 HZ1 LYS 37 10.452 9.732 13.978 306 HZ2 LYS 37 HZ2 LYS 37 11.942 9.572 13.288 307 HZ3 LYS 37 HZ3 LYS 37 11.259 11.066 13.438 308 HA PRO 38 HA PRO 38 15.456 13.563 6.483 309 HB2 PRO 38 HB2 PRO 38 16.681 10.824 6.999 310 HB3 PRO 38 HB3 PRO 38 17.454 12.414 7.046 311 HG2 PRO 38 HG2 PRO 38 16.812 11.261 9.355 312 HG3 PRO 38 HG3 PRO 38 16.481 12.982 9.145 313 HD2 PRO 38 HD2 PRO 38 14.571 10.621 8.938 314 HD3 PRO 38 HD3 PRO 38 14.310 12.235 9.711 315 H THR 39 H THR 39 14.009 10.346 6.212 316 HA THR 39 HA THR 39 14.820 10.176 3.355 317 HB THR 39 HB THR 39 14.037 7.814 3.497 318 HG1 THR 39 HG1 THR 39 12.554 7.675 5.056 319 HG21 THR 39 HG21 THR 39 15.810 7.004 5.005 320 HG22 THR 39 HG22 THR 39 16.388 8.367 4.018 321 HG23 THR 39 HG23 THR 39 15.946 8.626 5.723 322 H GLY 40 H GLY 40 12.624 11.890 4.614 323 HA2 GLY 40 HA2 GLY 40 10.073 10.871 3.873 324 HA3 GLY 40 HA3 GLY 40 10.481 12.568 4.045 325 H ASP 41 H ASP 41 8.864 10.990 2.021 326 HA ASP 41 HA ASP 41 9.897 12.388 -0.342 327 HB2 ASP 41 HB2 ASP 41 11.114 10.206 -0.386 328 HB3 ASP 41 HB3 ASP 41 9.573 9.359 -0.374 329 H THR 42 H THR 42 8.128 13.496 -0.835 330 HA THR 42 HA THR 42 5.512 12.716 -0.044 331 HB THR 42 HB THR 42 6.377 14.730 -2.163 332 HG1 THR 42 HG1 THR 42 5.740 16.122 -0.258 333 HG21 THR 42 HG21 THR 42 4.141 15.709 -1.830 334 HG22 THR 42 HG22 THR 42 4.021 14.041 -2.442 335 HG23 THR 42 HG23 THR 42 3.721 14.383 -0.723 336 H GLU 43 H GLU 43 7.196 12.455 -3.166 337 HA GLU 43 HA GLU 43 4.989 11.572 -4.704 338 HB2 GLU 43 HB2 GLU 43 7.154 12.265 -5.681 339 HB3 GLU 43 HB3 GLU 43 7.935 10.853 -4.987 340 HG2 GLU 43 HG2 GLU 43 6.571 9.378 -6.375 341 HG3 GLU 43 HG3 GLU 43 5.707 10.768 -7.033 342 H LYS 44 H LYS 44 7.456 9.654 -2.959 343 HA LYS 44 HA LYS 44 6.212 7.133 -3.613 344 HB2 LYS 44 HB2 LYS 44 8.208 7.864 -1.432 345 HB3 LYS 44 HB3 LYS 44 7.747 6.222 -1.858 346 HG2 LYS 44 HG2 LYS 44 9.152 8.207 -3.669 347 HG3 LYS 44 HG3 LYS 44 9.881 6.811 -2.863 348 HD2 LYS 44 HD2 LYS 44 7.558 6.556 -4.799 349 HD3 LYS 44 HD3 LYS 44 9.248 6.498 -5.316 350 HE2 LYS 44 HE2 LYS 44 9.627 4.600 -3.730 351 HE3 LYS 44 HE3 LYS 44 7.908 4.628 -3.327 352 HZ1 LYS 44 HZ1 LYS 44 8.399 2.992 -4.992 353 HZ2 LYS 44 HZ2 LYS 44 7.422 4.158 -5.630 354 HZ3 LYS 44 HZ3 LYS 44 9.027 4.132 -6.006 355 H PHE 45 H PHE 45 5.892 9.434 -0.970 356 HA PHE 45 HA PHE 45 4.401 7.769 0.803 357 HB2 PHE 45 HB3 PHE 45 5.414 10.052 1.307 358 HB3 PHE 45 HB2 PHE 45 4.068 10.769 0.435 359 HD1 PHE 45 HD1 PHE 45 1.871 10.868 1.384 360 HD2 PHE 45 HD2 PHE 45 5.036 8.852 3.427 361 HE1 PHE 45 HE1 PHE 45 0.502 10.806 3.442 362 HE2 PHE 45 HE2 PHE 45 3.669 8.786 5.485 363 HZ PHE 45 HZ PHE 45 1.401 9.765 5.493 364 H LYS 46 H LYS 46 3.419 9.854 -1.904 365 HA LYS 46 HA LYS 46 0.599 9.442 -1.576 366 HB2 LYS 46 HB2 LYS 46 2.302 10.231 -3.964 367 HB3 LYS 46 HB3 LYS 46 0.551 10.099 -4.055 368 HG2 LYS 46 HG2 LYS 46 0.319 11.824 -2.309 369 HG3 LYS 46 HG3 LYS 46 2.082 11.953 -2.208 370 HD2 LYS 46 HD2 LYS 46 2.195 12.676 -4.547 371 HD3 LYS 46 HD3 LYS 46 0.447 12.459 -4.723 372 HE2 LYS 46 HE2 LYS 46 0.049 14.197 -3.018 373 HE3 LYS 46 HE3 LYS 46 1.790 14.402 -2.806 374 HZ1 LYS 46 HZ1 LYS 46 0.878 16.055 -4.264 375 HZ2 LYS 46 HZ2 LYS 46 1.929 15.097 -5.098 376 HZ3 LYS 46 HZ3 LYS 46 0.304 14.906 -5.297 377 H GLU 47 H GLU 47 3.119 7.684 -3.337 378 HA GLU 47 HA GLU 47 1.390 5.964 -4.805 379 HB2 GLU 47 HB2 GLU 47 4.240 5.619 -3.807 380 HB3 GLU 47 HB3 GLU 47 3.435 4.419 -4.809 381 HG2 GLU 47 HG2 GLU 47 3.129 6.104 -6.582 382 HG3 GLU 47 HG3 GLU 47 3.947 7.299 -5.579 383 H ILE 48 H ILE 48 2.917 5.585 -1.604 384 HA ILE 48 HA ILE 48 1.769 2.950 -1.196 385 HB ILE 48 HB ILE 48 2.625 3.181 1.117 386 HG12 ILE 48 HG12 ILE 48 3.445 5.991 0.354 387 HG13 ILE 48 HG13 ILE 48 2.025 5.613 1.317 388 HG21 ILE 48 HG21 ILE 48 5.008 3.468 0.566 389 HG22 ILE 48 HG22 ILE 48 4.175 2.501 -0.674 390 HG23 ILE 48 HG23 ILE 48 4.562 4.208 -0.989 391 HD11 ILE 48 HD11 ILE 48 3.898 6.249 2.730 392 HD12 ILE 48 HD12 ILE 48 3.445 4.552 3.017 393 HD13 ILE 48 HD13 ILE 48 4.884 4.936 2.043 394 H SER 49 H SER 49 0.732 6.227 -0.659 395 HA SER 49 HA SER 49 -1.358 5.604 1.235 396 HB2 SER 49 HB2 SER 49 -0.955 7.922 -0.681 397 HB3 SER 49 HB3 SER 49 -2.269 7.839 0.481 398 HG SER 49 HG SER 49 0.487 8.001 0.905 399 H GLU 50 H GLU 50 -1.230 5.928 -2.314 400 HA GLU 50 HA GLU 50 -3.966 5.222 -2.776 401 HB2 GLU 50 HB2 GLU 50 -1.446 4.968 -4.448 402 HB3 GLU 50 HB3 GLU 50 -3.011 4.427 -5.040 403 HG2 GLU 50 HG2 GLU 50 -3.894 6.732 -4.688 404 HG3 GLU 50 HG3 GLU 50 -2.274 7.243 -4.217 405 H ALA 51 H ALA 51 -0.994 3.268 -2.517 406 HA ALA 51 HA ALA 51 -2.167 0.741 -2.982 407 HB1 ALA 51 HB1 ALA 51 -0.264 -0.168 -1.689 408 HB2 ALA 51 HB2 ALA 51 0.259 1.085 -2.841 409 HB3 ALA 51 HB3 ALA 51 0.115 1.472 -1.111 410 H PHE 52 H PHE 52 -1.831 2.581 0.053 411 HA PHE 52 HA PHE 52 -3.009 0.641 1.758 412 HB2 PHE 52 HB3 PHE 52 -1.840 2.544 2.693 413 HB3 PHE 52 HB2 PHE 52 -2.933 3.676 1.912 414 HD1 PHE 52 HD1 PHE 52 -3.103 0.752 4.249 415 HD2 PHE 52 HD2 PHE 52 -4.581 4.621 3.199 416 HE1 PHE 52 HE1 PHE 52 -4.545 0.744 6.258 417 HE2 PHE 52 HE2 PHE 52 -6.021 4.618 5.208 418 HZ PHE 52 HZ PHE 52 -6.004 2.678 6.737 419 H GLU 53 H GLU 53 -4.538 3.524 0.264 420 HA GLU 53 HA GLU 53 -7.125 3.059 1.249 421 HB2 GLU 53 HB2 GLU 53 -6.629 5.170 0.230 422 HB3 GLU 53 HB3 GLU 53 -6.146 4.418 -1.283 423 HG2 GLU 53 HG2 GLU 53 -8.282 5.448 -1.577 424 HG3 GLU 53 HG3 GLU 53 -8.486 3.699 -1.652 425 H ILE 54 H ILE 54 -5.656 1.930 -1.802 426 HA ILE 54 HA ILE 54 -8.062 0.687 -2.763 427 HB ILE 54 HB ILE 54 -5.132 0.324 -3.499 428 HG12 ILE 54 HG12 ILE 54 -7.375 1.601 -5.071 429 HG13 ILE 54 HG13 ILE 54 -6.338 2.504 -3.978 430 HG21 ILE 54 HG21 ILE 54 -5.935 -0.925 -5.464 431 HG22 ILE 54 HG22 ILE 54 -6.354 -1.768 -3.954 432 HG23 ILE 54 HG23 ILE 54 -7.598 -0.850 -4.835 433 HD11 ILE 54 HD11 ILE 54 -5.566 2.693 -6.274 434 HD12 ILE 54 HD12 ILE 54 -4.363 1.838 -5.278 435 HD13 ILE 54 HD13 ILE 54 -5.413 0.924 -6.388 436 H LEU 55 H LEU 55 -5.276 -0.481 -0.904 437 HA LEU 55 HA LEU 55 -6.305 -3.242 -1.000 438 HB2 LEU 55 HB2 LEU 55 -3.856 -2.048 0.347 439 HB3 LEU 55 HB3 LEU 55 -4.250 -3.770 0.296 440 HG LEU 55 HG LEU 55 -3.618 -2.030 -2.114 441 HD11 LEU 55 HD11 LEU 55 -1.544 -3.339 -2.191 442 HD12 LEU 55 HD12 LEU 55 -1.682 -2.415 -0.676 443 HD13 LEU 55 HD13 LEU 55 -2.009 -4.164 -0.685 444 HD21 LEU 55 HD21 LEU 55 -3.618 -4.183 -3.325 445 HD22 LEU 55 HD22 LEU 55 -4.112 -5.022 -1.834 446 HD23 LEU 55 HD23 LEU 55 -5.212 -3.854 -2.606 447 H ASN 56 H ASN 56 -6.761 -0.492 0.894 448 HA ASN 56 HA ASN 56 -7.252 -1.915 3.406 449 HB2 ASN 56 HB2 ASN 56 -6.516 0.453 3.362 450 HB3 ASN 56 HB3 ASN 56 -8.014 0.898 2.553 451 HD21 ASN 56 HD21 ASN 56 -9.661 1.389 5.537 452 HD22 ASN 56 HD22 ASN 56 -9.399 1.812 3.880 453 H ASP 57 H ASP 57 -9.361 -0.150 1.102 454 HA ASP 57 HA ASP 57 -11.794 -1.261 2.086 455 HB2 ASP 57 HB2 ASP 57 -11.638 0.727 0.580 456 HB3 ASP 57 HB3 ASP 57 -11.146 -0.327 -0.739 457 HA PRO 58 HA PRO 58 -11.108 -5.444 1.074 458 HB2 PRO 58 HB2 PRO 58 -14.154 -5.430 1.262 459 HB3 PRO 58 HB3 PRO 58 -13.009 -6.594 1.942 460 HG2 PRO 58 HG2 PRO 58 -14.029 -4.752 3.562 461 HG3 PRO 58 HG3 PRO 58 -12.301 -5.104 3.664 462 HD2 PRO 58 HD2 PRO 58 -13.713 -2.776 2.314 463 HD3 PRO 58 HD3 PRO 58 -12.174 -2.782 3.267 464 H GLN 59 H GLN 59 -13.724 -3.565 -0.474 465 HA GLN 59 HA GLN 59 -14.090 -5.404 -2.666 466 HB2 GLN 59 HB2 GLN 59 -15.834 -3.786 -1.883 467 HB3 GLN 59 HB3 GLN 59 -14.845 -2.459 -2.476 468 HG2 GLN 59 HG2 GLN 59 -16.587 -2.946 -4.055 469 HG3 GLN 59 HG3 GLN 59 -15.008 -3.385 -4.766 470 HE21 GLN 59 HE21 GLN 59 -16.178 -6.519 -5.647 471 HE22 GLN 59 HE22 GLN 59 -15.276 -5.093 -6.042 472 H LYS 60 H LYS 60 -12.304 -2.348 -2.279 473 HA LYS 60 HA LYS 60 -11.395 -2.213 -4.993 474 HB2 LYS 60 HB2 LYS 60 -10.292 -1.041 -2.414 475 HB3 LYS 60 HB3 LYS 60 -9.597 -0.707 -3.993 476 HG2 LYS 60 HG2 LYS 60 -11.752 0.256 -4.734 477 HG3 LYS 60 HG3 LYS 60 -12.431 -0.060 -3.131 478 HD2 LYS 60 HD2 LYS 60 -10.663 1.382 -2.127 479 HD3 LYS 60 HD3 LYS 60 -10.060 1.740 -3.752 480 HE2 LYS 60 HE2 LYS 60 -12.281 2.692 -4.345 481 HE3 LYS 60 HE3 LYS 60 -12.843 2.374 -2.702 482 HZ1 LYS 60 HZ1 LYS 60 -12.116 4.631 -2.965 483 HZ2 LYS 60 HZ2 LYS 60 -11.133 3.851 -1.893 484 HZ3 LYS 60 HZ3 LYS 60 -10.608 4.148 -3.428 485 H ARG 61 H ARG 61 -10.046 -3.703 -2.068 486 HA ARG 61 HA ARG 61 -7.552 -4.486 -3.205 487 HB2 ARG 61 HB2 ARG 61 -8.027 -4.535 -0.782 488 HB3 ARG 61 HB3 ARG 61 -9.184 -5.835 -1.025 489 HG2 ARG 61 HG2 ARG 61 -7.428 -7.347 -1.722 490 HG3 ARG 61 HG3 ARG 61 -6.228 -6.032 -1.655 491 HD2 ARG 61 HD2 ARG 61 -6.040 -7.359 0.309 492 HD3 ARG 61 HD3 ARG 61 -6.733 -5.782 0.750 493 HE ARG 61 HE ARG 61 -8.637 -6.837 1.443 494 HH11 ARG 61 HH11 ARG 61 -6.826 -9.031 -0.619 495 HH12 ARG 61 HH12 ARG 61 -7.872 -10.395 -0.300 496 HH21 ARG 61 HH21 ARG 61 -9.989 -8.616 1.849 497 HH22 ARG 61 HH22 ARG 61 -9.663 -10.161 1.097 498 H GLU 62 H GLU 62 -10.673 -6.210 -2.942 499 HA GLU 62 HA GLU 62 -9.897 -8.589 -4.260 500 HB2 GLU 62 HB2 GLU 62 -12.058 -8.298 -3.080 501 HB3 GLU 62 HB3 GLU 62 -12.592 -7.169 -4.317 502 HG2 GLU 62 HG2 GLU 62 -12.517 -8.939 -6.002 503 HG3 GLU 62 HG3 GLU 62 -11.911 -10.078 -4.800 504 H ILE 63 H ILE 63 -11.255 -5.572 -5.612 505 HA ILE 63 HA ILE 63 -11.277 -6.398 -8.321 506 HB ILE 63 HB ILE 63 -10.972 -3.647 -7.059 507 HG12 ILE 63 HG12 ILE 63 -13.331 -4.877 -8.492 508 HG13 ILE 63 HG13 ILE 63 -13.101 -4.975 -6.754 509 HG21 ILE 63 HG21 ILE 63 -11.474 -2.730 -9.288 510 HG22 ILE 63 HG22 ILE 63 -9.942 -3.632 -9.299 511 HG23 ILE 63 HG23 ILE 63 -11.412 -4.368 -9.980 512 HD11 ILE 63 HD11 ILE 63 -14.608 -3.158 -7.339 513 HD12 ILE 63 HD12 ILE 63 -13.118 -2.523 -6.601 514 HD13 ILE 63 HD13 ILE 63 -13.352 -2.423 -8.362 515 H TYR 64 H TYR 64 -8.721 -4.868 -6.377 516 HA TYR 64 HA TYR 64 -6.832 -4.559 -8.484 517 HB2 TYR 64 HB2 TYR 64 -6.555 -3.460 -6.309 518 HB3 TYR 64 HB3 TYR 64 -6.401 -5.016 -5.506 519 HD1 TYR 64 HD1 TYR 64 -4.807 -2.909 -8.148 520 HD2 TYR 64 HD2 TYR 64 -4.311 -5.979 -5.192 521 HE1 TYR 64 HE1 TYR 64 -2.361 -2.849 -8.496 522 HE2 TYR 64 HE2 TYR 64 -1.866 -5.918 -5.538 523 HH TYR 64 HH TYR 64 -0.411 -3.856 -8.026 524 H ASP 65 H ASP 65 -7.285 -7.229 -6.152 525 HA ASP 65 HA ASP 65 -5.090 -8.779 -7.089 526 HB2 ASP 65 HB2 ASP 65 -7.654 -9.575 -5.661 527 HB3 ASP 65 HB3 ASP 65 -6.348 -10.704 -5.994 528 H GLN 66 H GLN 66 -8.426 -8.504 -8.183 529 HA GLN 66 HA GLN 66 -8.200 -10.917 -9.846 530 HB2 GLN 66 HB2 GLN 66 -10.431 -8.888 -9.443 531 HB3 GLN 66 HB3 GLN 66 -10.549 -10.249 -10.550 532 HG2 GLN 66 HG2 GLN 66 -10.299 -11.820 -8.713 533 HG3 GLN 66 HG3 GLN 66 -10.078 -10.467 -7.568 534 HE21 GLN 66 HE21 GLN 66 -13.615 -11.715 -7.480 535 HE22 GLN 66 HE22 GLN 66 -12.065 -12.469 -7.305 536 H TYR 67 H TYR 67 -8.191 -7.398 -10.247 537 HA TYR 67 HA TYR 67 -8.119 -7.820 -13.205 538 HB2 TYR 67 HB2 TYR 67 -9.382 -5.525 -11.651 539 HB3 TYR 67 HB3 TYR 67 -9.290 -5.635 -13.403 540 HD1 TYR 67 HD1 TYR 67 -10.338 -7.788 -14.476 541 HD2 TYR 67 HD2 TYR 67 -11.253 -6.320 -10.550 542 HE1 TYR 67 HE1 TYR 67 -12.478 -9.026 -14.510 543 HE2 TYR 67 HE2 TYR 67 -13.392 -7.558 -10.585 544 HH TYR 67 HH TYR 67 -14.187 -9.783 -13.181 545 H GLY 68 H GLY 68 -7.146 -5.624 -10.561 546 HA2 GLY 68 HA2 GLY 68 -4.603 -5.403 -10.525 547 HA3 GLY 68 HA3 GLY 68 -4.739 -4.932 -12.210 548 H LEU 69 H LEU 69 -3.551 -3.013 -11.261 549 HA LEU 69 HA LEU 69 -4.718 -1.357 -9.273 550 HB2 LEU 69 HB2 LEU 69 -2.358 -1.213 -9.851 551 HB3 LEU 69 HB3 LEU 69 -2.753 -0.704 -11.496 552 HG LEU 69 HG LEU 69 -3.707 1.407 -10.590 553 HD11 LEU 69 HD11 LEU 69 -3.308 1.975 -8.235 554 HD12 LEU 69 HD12 LEU 69 -4.380 0.564 -8.400 555 HD13 LEU 69 HD13 LEU 69 -2.673 0.338 -7.948 556 HD21 LEU 69 HD21 LEU 69 -1.529 2.392 -9.958 557 HD22 LEU 69 HD22 LEU 69 -0.868 0.759 -9.693 558 HD23 LEU 69 HD23 LEU 69 -1.351 1.270 -11.329 559 H GLU 70 H GLU 70 -4.769 -1.075 -12.840 560 HA GLU 70 HA GLU 70 -5.932 1.458 -13.014 561 HB2 GLU 70 HB2 GLU 70 -5.046 0.190 -14.952 562 HB3 GLU 70 HB3 GLU 70 -6.398 -0.929 -14.850 563 HG2 GLU 70 HG2 GLU 70 -7.962 0.895 -15.352 564 HG3 GLU 70 HG3 GLU 70 -6.619 2.033 -15.430 565 H ALA 71 H ALA 71 -7.598 -1.700 -12.848 566 HA ALA 71 HA ALA 71 -10.228 -0.579 -12.999 567 HB1 ALA 71 HB1 ALA 71 -10.979 -2.798 -12.207 568 HB2 ALA 71 HB2 ALA 71 -9.775 -2.936 -13.511 569 HB3 ALA 71 HB3 ALA 71 -9.295 -3.221 -11.823 570 H ALA 72 H ALA 72 -8.219 -1.608 -10.239 571 HA ALA 72 HA ALA 72 -10.261 -1.004 -8.297 572 HB1 ALA 72 HB1 ALA 72 -8.451 -1.313 -6.641 573 HB2 ALA 72 HB2 ALA 72 -8.481 -2.629 -7.839 574 HB3 ALA 72 HB3 ALA 72 -7.260 -1.343 -7.962 575 H ARG 73 H ARG 73 -7.517 0.778 -9.637 576 HA ARG 73 HA ARG 73 -7.599 2.925 -7.737 577 HB2 ARG 73 HB2 ARG 73 -5.686 2.357 -9.295 578 HB3 ARG 73 HB3 ARG 73 -6.624 3.055 -10.607 579 HG2 ARG 73 HG2 ARG 73 -6.604 5.233 -9.509 580 HG3 ARG 73 HG3 ARG 73 -5.717 4.541 -8.128 581 HD2 ARG 73 HD2 ARG 73 -3.935 3.873 -9.743 582 HD3 ARG 73 HD3 ARG 73 -4.791 4.836 -10.969 583 HE ARG 73 HE ARG 73 -3.300 5.821 -8.648 584 HH11 ARG 73 HH11 ARG 73 -5.472 6.543 -11.314 585 HH12 ARG 73 HH12 ARG 73 -5.123 8.258 -11.300 586 HH21 ARG 73 HH21 ARG 73 -2.855 8.049 -8.639 587 HH22 ARG 73 HH22 ARG 73 -3.642 9.110 -9.786 588 H SER 74 H SER 74 -9.060 2.464 -10.953 589 HA SER 74 HA SER 74 -10.368 5.072 -10.883 590 HB2 SER 74 HB2 SER 74 -11.413 4.368 -12.956 591 HB3 SER 74 HB3 SER 74 -9.701 3.976 -13.001 592 HG SER 74 HG SER 74 -10.134 1.904 -12.691 593 H GLY 75 H GLY 75 -11.085 1.845 -9.811 594 HA2 GLY 75 HA2 GLY 75 -12.774 1.229 -8.300 595 HA3 GLY 75 HA3 GLY 75 -13.476 2.830 -8.441 596 H GLY 76 H GLY 76 -12.704 0.492 -11.026 597 HA2 GLY 76 HA2 GLY 76 -15.325 0.880 -12.244 598 HA3 GLY 76 HA3 GLY 76 -14.043 -0.162 -12.831 599 HA PRO 77 HA PRO 77 -17.356 -2.582 -10.548 600 HB2 PRO 77 HB2 PRO 77 -19.011 -3.414 -12.547 601 HB3 PRO 77 HB3 PRO 77 -19.208 -1.829 -11.788 602 HG2 PRO 77 HG2 PRO 77 -17.791 -2.535 -14.395 603 HG3 PRO 77 HG3 PRO 77 -18.979 -1.259 -14.107 604 HD2 PRO 77 HD2 PRO 77 -16.287 -0.758 -14.088 605 HD3 PRO 77 HD3 PRO 77 -17.439 0.145 -13.023 606 H SER 78 H SER 78 -17.953 -4.987 -11.023 607 HA SER 78 HA SER 78 -15.619 -6.467 -11.780 608 HB2 SER 78 HB2 SER 78 -17.252 -7.371 -10.218 609 HB3 SER 78 HB3 SER 78 -18.514 -7.312 -11.439 610 HG SER 78 HG SER 78 -16.121 -8.708 -11.849 611 H PHE 79 H PHE 79 -15.128 -7.670 -13.576 612 HA PHE 79 HA PHE 79 -16.735 -6.975 -16.002 613 HB2 PHE 79 HB3 PHE 79 -13.719 -7.356 -15.837 614 HB3 PHE 79 HB2 PHE 79 -14.636 -6.935 -17.274 615 HD1 PHE 79 HD1 PHE 79 -12.712 -5.669 -14.640 616 HD2 PHE 79 HD2 PHE 79 -16.139 -4.759 -17.023 617 HE1 PHE 79 HE1 PHE 79 -12.445 -3.271 -14.105 618 HE2 PHE 79 HE2 PHE 79 -15.874 -2.359 -16.492 619 HZ PHE 79 HZ PHE 79 -14.026 -1.616 -15.031 620 H GLY 80 H GLY 80 -16.687 -9.367 -14.118 621 HA2 GLY 80 HA2 GLY 80 -17.285 -11.607 -14.648 622 HA3 GLY 80 HA3 GLY 80 -16.600 -11.415 -16.250 623 HA PRO 81 HA PRO 81 -13.642 -13.706 -13.556 624 HB2 PRO 81 HB2 PRO 81 -13.494 -16.049 -14.958 625 HB3 PRO 81 HB3 PRO 81 -14.804 -15.729 -13.815 626 HG2 PRO 81 HG2 PRO 81 -14.789 -15.404 -16.845 627 HG3 PRO 81 HG3 PRO 81 -16.005 -16.193 -15.835 628 HD2 PRO 81 HD2 PRO 81 -16.300 -13.611 -16.694 629 HD3 PRO 81 HD3 PRO 81 -16.924 -14.162 -15.087
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