NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
536239 | 2lgv | 17824 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 9 H GLY 9 46.391 -38.162 -3.579 2 HA2 GLY 9 HA2 GLY 9 45.042 -36.647 -1.560 3 HA3 GLY 9 HA3 GLY 9 44.358 -37.238 -3.064 4 H GLY 10 H GLY 10 42.497 -37.612 -1.624 5 HA2 GLY 10 HA2 GLY 10 42.343 -40.355 -0.858 6 HA3 GLY 10 HA3 GLY 10 42.391 -39.283 0.535 7 H GLY 11 H GLY 11 40.264 -40.040 1.032 8 HA2 GLY 11 HA2 GLY 11 38.258 -38.532 -0.452 9 HA3 GLY 11 HA3 GLY 11 37.986 -40.260 -0.190 10 H GLY 12 H GLY 12 36.014 -39.171 0.832 11 HA2 GLY 12 HA2 GLY 12 36.597 -38.304 3.571 12 HA3 GLY 12 HA3 GLY 12 35.092 -38.012 2.695 13 H THR 13 H THR 13 34.517 -38.892 4.964 14 HA THR 13 HA THR 13 34.618 -41.774 5.147 15 HB THR 13 HB THR 13 34.819 -40.406 7.205 16 HG1 THR 13 HG3 THR 13 33.773 -42.567 7.122 17 HG21 THR 13 HG21 THR 13 31.937 -39.666 6.675 18 HG22 THR 13 HG22 THR 13 33.313 -38.562 6.616 19 HG23 THR 13 HG23 THR 13 32.836 -39.296 8.144 20 H ASN 14 H ASN 14 32.703 -43.086 5.327 21 HA ASN 14 HA ASN 14 30.820 -42.457 3.225 22 HB2 ASN 14 HB2 ASN 14 31.800 -44.723 3.467 23 HB3 ASN 14 HB3 ASN 14 31.002 -44.886 5.028 24 HD21 ASN 14 HD21 ASN 14 29.805 -46.652 4.390 25 HD22 ASN 14 HD22 ASN 14 28.485 -46.550 3.281 26 H SER 15 H SER 15 29.010 -41.359 3.602 27 HA SER 15 HA SER 15 28.039 -40.690 6.152 28 HB2 SER 15 HB2 SER 15 26.515 -40.644 3.550 29 HB3 SER 15 HB3 SER 15 26.230 -39.627 4.963 30 HG SER 15 HG SER 15 28.627 -39.085 4.499 31 H GLY 16 H GLY 16 27.162 -42.080 7.532 32 HA2 GLY 16 HA2 GLY 16 25.658 -44.354 6.472 33 HA3 GLY 16 HA3 GLY 16 26.335 -44.239 8.090 34 H ALA 17 H ALA 17 23.542 -44.642 6.822 35 HA ALA 17 HA ALA 17 22.123 -42.552 8.249 36 HB1 ALA 17 HB1 ALA 17 20.134 -43.430 7.153 37 HB2 ALA 17 HB2 ALA 17 21.062 -44.785 6.518 38 HB3 ALA 17 HB3 ALA 17 21.406 -43.143 5.962 39 H GLY 18 H GLY 18 20.447 -43.135 9.746 40 HA2 GLY 18 HA2 GLY 18 19.464 -44.991 11.128 41 HA3 GLY 18 HA3 GLY 18 21.104 -45.632 11.182 42 H LYS 19 H LYS 19 21.812 -42.616 11.229 43 HA LYS 19 HA LYS 19 21.918 -42.445 14.145 44 HB2 LYS 19 HB2 LYS 19 23.340 -40.937 11.943 45 HB3 LYS 19 HB3 LYS 19 23.449 -40.448 13.616 46 HG2 LYS 19 HG2 LYS 19 25.401 -41.689 13.175 47 HG3 LYS 19 HG3 LYS 19 24.358 -42.769 14.090 48 HD2 LYS 19 HD2 LYS 19 23.667 -43.875 12.003 49 HD3 LYS 19 HD3 LYS 19 24.710 -42.784 11.085 50 HE2 LYS 19 HE2 LYS 19 25.832 -44.908 11.397 51 HE3 LYS 19 HE1 LYS 19 26.661 -43.655 12.312 52 HZ1 LYS 19 HZ1 LYS 19 24.631 -45.427 13.542 53 HZ2 LYS 19 HZ2 LYS 19 25.769 -44.490 14.342 54 HZ3 LYS 19 HZ3 LYS 19 26.247 -45.859 13.497 55 H LYS 20 H LYS 20 19.644 -41.862 12.220 56 HA LYS 20 HA LYS 20 19.024 -39.093 12.410 57 HB2 LYS 20 HB2 LYS 20 18.144 -40.445 10.616 58 HB3 LYS 20 HB3 LYS 20 17.311 -41.495 11.748 59 HG2 LYS 20 HG2 LYS 20 15.873 -39.611 12.390 60 HG3 LYS 20 HG3 LYS 20 16.720 -38.582 11.231 61 HD2 LYS 20 HD2 LYS 20 16.060 -40.082 9.423 62 HD3 LYS 20 HD3 LYS 20 15.201 -41.097 10.578 63 HE2 LYS 20 HE2 LYS 20 13.723 -39.220 11.125 64 HE3 LYS 20 HE1 LYS 20 14.606 -38.213 9.964 65 HZ1 LYS 20 HZ1 LYS 20 13.218 -40.722 9.237 66 HZ2 LYS 20 HZ2 LYS 20 13.886 -39.576 8.192 67 HZ3 LYS 20 HZ3 LYS 20 12.492 -39.195 9.089 68 H ARG 21 H ARG 21 18.237 -38.069 14.050 69 HA ARG 21 HA ARG 21 16.824 -39.496 16.190 70 HB2 ARG 21 HB2 ARG 21 17.851 -36.635 16.052 71 HB3 ARG 21 HB3 ARG 21 17.007 -37.344 17.425 72 HG2 ARG 21 HG2 ARG 21 19.632 -38.342 16.352 73 HG3 ARG 21 HG3 ARG 21 19.457 -37.196 17.683 74 HD2 ARG 21 HD2 ARG 21 18.224 -38.845 18.965 75 HD3 ARG 21 HD3 ARG 21 18.275 -39.972 17.613 76 HE ARG 21 HE ARG 21 20.874 -39.285 18.159 77 HH11 ARG 21 HH11 ARG 21 18.220 -40.853 19.913 78 HH12 ARG 21 HH12 ARG 21 19.254 -41.866 20.818 79 HH21 ARG 21 HH21 ARG 21 22.267 -40.725 19.392 80 HH22 ARG 21 HH22 ARG 21 21.579 -41.771 20.544 81 H PHE 22 H PHE 22 14.684 -38.930 16.648 82 HA PHE 22 HA PHE 22 13.199 -38.135 14.348 83 HB2 PHE 22 HB2 PHE 22 12.348 -38.633 17.216 84 HB3 PHE 22 HB3 PHE 22 11.229 -38.343 15.888 85 HD1 PHE 22 HD3 PHE 22 10.996 -40.023 14.079 86 HD2 PHE 22 HD2 PHE 22 13.404 -40.734 17.519 87 HE1 PHE 22 HE1 PHE 22 11.001 -42.432 13.575 88 HE2 PHE 22 HE2 PHE 22 13.426 -43.134 17.016 89 HZ PHE 22 HZ PHE 22 12.220 -43.994 15.048 90 H GLU 23 H GLU 23 12.395 -36.202 13.830 91 HA GLU 23 HA GLU 23 13.180 -34.025 15.572 92 HB2 GLU 23 HB2 GLU 23 12.902 -32.523 13.614 93 HB3 GLU 23 HB3 GLU 23 14.116 -33.764 13.393 94 HG2 GLU 23 HG2 GLU 23 13.047 -33.712 11.330 95 HG3 GLU 23 HG3 GLU 23 12.260 -35.046 12.152 96 H VAL 24 H VAL 24 11.917 -32.330 16.092 97 HA VAL 24 HA VAL 24 9.042 -32.944 16.095 98 HB VAL 24 HB VAL 24 10.784 -31.764 18.280 99 HG11 VAL 24 HG11 VAL 24 7.785 -32.046 18.223 100 HG12 VAL 24 HG12 VAL 24 8.704 -30.548 18.244 101 HG13 VAL 24 HG13 VAL 24 8.731 -31.615 19.647 102 HG21 VAL 24 HG21 VAL 24 10.855 -34.208 18.124 103 HG22 VAL 24 HG22 VAL 24 9.097 -34.270 18.250 104 HG23 VAL 24 HG23 VAL 24 10.049 -33.682 19.599 105 H LYS 25 H LYS 25 7.756 -31.293 15.376 106 HA LYS 25 HA LYS 25 8.811 -28.869 14.394 107 HB2 LYS 25 HB2 LYS 25 6.608 -29.743 13.680 108 HB3 LYS 25 HB3 LYS 25 6.000 -29.533 15.311 109 HG2 LYS 25 HG2 LYS 25 5.168 -27.778 13.907 110 HG3 LYS 25 HG3 LYS 25 6.298 -27.094 15.080 111 HD2 LYS 25 HD2 LYS 25 8.061 -27.090 13.332 112 HD3 LYS 25 HD3 LYS 25 6.885 -27.744 12.193 113 HE2 LYS 25 HE2 LYS 25 6.591 -25.102 13.634 114 HE3 LYS 25 HE1 LYS 25 7.197 -25.293 11.996 115 HZ1 LYS 25 HZ1 LYS 25 4.875 -24.718 11.976 116 HZ2 LYS 25 HZ2 LYS 25 4.464 -26.058 12.924 117 HZ3 LYS 25 HZ3 LYS 25 5.068 -26.278 11.360 118 H LYS 26 H LYS 26 9.962 -27.654 15.769 119 HA LYS 26 HA LYS 26 8.775 -26.998 18.382 120 HB2 LYS 26 HB2 LYS 26 10.255 -28.969 18.602 121 HB3 LYS 26 HB3 LYS 26 11.587 -28.031 17.949 122 HG2 LYS 26 HG2 LYS 26 11.843 -28.123 20.304 123 HG3 LYS 26 HG3 LYS 26 11.320 -26.498 19.909 124 HD2 LYS 26 HD2 LYS 26 9.094 -26.939 20.617 125 HD3 LYS 26 HD3 LYS 26 9.427 -28.675 20.765 126 HE2 LYS 26 HE2 LYS 26 10.777 -26.529 22.384 127 HE3 LYS 26 HE1 LYS 26 9.372 -27.443 22.939 128 HZ1 LYS 26 HZ1 LYS 26 10.729 -29.489 22.786 129 HZ2 LYS 26 HZ2 LYS 26 11.399 -28.365 23.800 130 HZ3 LYS 26 HZ3 LYS 26 12.066 -28.596 22.277 131 H SER 27 H SER 27 8.577 -24.877 18.043 132 HA SER 27 HA SER 27 11.062 -23.382 17.642 133 HB2 SER 27 HB2 SER 27 8.404 -22.712 16.343 134 HB3 SER 27 HB3 SER 27 9.866 -21.717 16.273 135 HG SER 27 HG SER 27 10.094 -24.364 15.553 136 H ASN 28 H ASN 28 11.289 -21.643 18.948 137 HA ASN 28 HA ASN 28 9.693 -21.496 21.268 138 HB2 ASN 28 HB2 ASN 28 12.026 -20.804 21.346 139 HB3 ASN 28 HB3 ASN 28 11.727 -19.520 20.196 140 HD21 ASN 28 HD21 ASN 28 11.283 -20.605 23.495 141 HD22 ASN 28 HD22 ASN 28 10.848 -19.083 24.135 142 H ALA 29 H ALA 29 9.738 -19.580 18.321 143 HA ALA 29 HA ALA 29 7.316 -18.185 19.253 144 HB1 ALA 29 HB1 ALA 29 9.612 -17.138 17.612 145 HB2 ALA 29 HB2 ALA 29 9.126 -16.598 19.224 146 HB3 ALA 29 HB3 ALA 29 8.097 -16.272 17.828 147 H SER 30 H SER 30 5.677 -17.851 17.753 148 HA SER 30 HA SER 30 5.567 -19.767 15.624 149 HB2 SER 30 HB2 SER 30 3.603 -17.656 16.533 150 HB3 SER 30 HB3 SER 30 3.258 -18.870 15.307 151 HG SER 30 HG SER 30 2.610 -19.293 17.566 152 H ALA 31 H ALA 31 6.526 -16.470 15.806 153 HA ALA 31 HA ALA 31 5.841 -15.913 13.070 154 HB1 ALA 31 HB1 ALA 31 6.945 -13.767 13.412 155 HB2 ALA 31 HB2 ALA 31 7.535 -14.325 14.980 156 HB3 ALA 31 HB3 ALA 31 5.794 -14.104 14.713 157 H GLN 32 H GLN 32 6.950 -17.672 12.137 158 HA GLN 32 HA GLN 32 9.763 -17.975 12.285 159 HB2 GLN 32 HB2 GLN 32 8.249 -19.801 11.608 160 HB3 GLN 32 HB3 GLN 32 7.872 -18.927 10.137 161 HG2 GLN 32 HG2 GLN 32 10.180 -19.108 9.401 162 HG3 GLN 32 HG3 GLN 32 10.597 -19.942 10.906 163 HE21 GLN 32 HE21 GLN 32 9.967 -22.065 11.221 164 HE22 GLN 32 HE22 GLN 32 9.402 -23.059 9.949 165 H SER 33 H SER 33 7.645 -16.272 9.979 166 HA SER 33 HA SER 33 9.847 -14.627 9.152 167 HB2 SER 33 HB2 SER 33 10.147 -16.633 7.710 168 HB3 SER 33 HB3 SER 33 8.495 -16.433 7.128 169 HG SER 33 HG SER 33 10.677 -15.378 6.158 170 H ALA 34 H ALA 34 9.066 -13.025 7.537 171 HA ALA 34 HA ALA 34 6.302 -12.234 8.089 172 HB1 ALA 34 HB1 ALA 34 6.947 -10.079 7.098 173 HB2 ALA 34 HB2 ALA 34 8.548 -10.709 6.745 174 HB3 ALA 34 HB3 ALA 34 8.016 -10.525 8.423 175 H TRP 35 H TRP 35 5.368 -11.010 6.004 176 HA TRP 35 HA TRP 35 5.399 -13.006 3.884 177 HB2 TRP 35 HB2 TRP 35 3.473 -10.748 4.472 178 HB3 TRP 35 HB3 TRP 35 3.360 -11.794 3.076 179 HD1 TRP 35 HD TRP 35 2.583 -11.703 6.760 180 HE1 TRP 35 HE1 TRP 35 1.378 -13.875 7.430 181 HE3 TRP 35 HE3 TRP 35 3.258 -14.360 2.455 182 HZ2 TRP 35 HZ2 TRP 35 0.798 -16.382 6.285 183 HZ3 TRP 35 HZ3 TRP 35 2.340 -16.630 2.321 184 HH2 TRP 35 HH TRP 35 1.134 -17.617 4.193 185 H ASP 36 H ASP 36 5.462 -12.389 1.656 186 HA ASP 36 HA ASP 36 7.685 -10.634 1.208 187 HB2 ASP 36 HB2 ASP 36 7.419 -12.816 0.029 188 HB3 ASP 36 HB3 ASP 36 6.018 -12.164 -0.804 189 H ILE 37 H ILE 37 7.747 -8.925 -0.336 190 HA ILE 37 HA ILE 37 5.532 -7.145 0.011 191 HB ILE 37 HB ILE 37 6.967 -5.481 -1.117 192 HG12 ILE 37 HG12 ILE 37 8.970 -7.732 -1.357 193 HG13 ILE 37 HG11 ILE 37 8.030 -7.090 -2.691 194 HG21 ILE 37 HG21 ILE 37 8.797 -5.432 0.555 195 HG22 ILE 37 HG22 ILE 37 8.412 -7.091 0.998 196 HG23 ILE 37 HG23 ILE 37 7.244 -5.809 1.303 197 HD11 ILE 37 HD11 ILE 37 10.041 -5.522 -1.074 198 HD12 ILE 37 HD31 ILE 37 10.295 -6.203 -2.683 199 HD13 ILE 37 HD21 ILE 37 9.095 -4.942 -2.448 200 H VAL 38 H VAL 38 4.223 -6.385 -1.560 201 HA VAL 38 HA VAL 38 4.399 -7.638 -4.197 202 HB VAL 38 HB VAL 38 1.905 -7.365 -2.477 203 HG11 VAL 38 HG11 VAL 38 1.275 -6.793 -4.712 204 HG12 VAL 38 HG12 VAL 38 0.625 -8.379 -4.288 205 HG13 VAL 38 HG13 VAL 38 2.025 -8.259 -5.350 206 HG21 VAL 38 HG21 VAL 38 3.230 -9.312 -1.906 207 HG22 VAL 38 HG22 VAL 38 3.293 -9.803 -3.603 208 HG23 VAL 38 HG23 VAL 38 1.767 -9.826 -2.745 209 H VAL 39 H VAL 39 4.003 -6.274 -5.940 210 HA VAL 39 HA VAL 39 3.402 -3.480 -5.266 211 HB VAL 39 HB VAL 39 4.170 -2.971 -7.644 212 HG11 VAL 39 HG11 VAL 39 6.133 -4.096 -5.664 213 HG12 VAL 39 HG12 VAL 39 5.519 -2.434 -5.790 214 HG13 VAL 39 HG13 VAL 39 6.534 -3.089 -7.067 215 HG21 VAL 39 HG21 VAL 39 3.973 -5.214 -8.563 216 HG22 VAL 39 HG22 VAL 39 5.216 -5.795 -7.451 217 HG23 VAL 39 HG23 VAL 39 5.636 -4.627 -8.719 218 H ASP 40 H ASP 40 1.661 -5.996 -6.119 219 HA ASP 40 HA ASP 40 -0.113 -4.565 -7.973 220 HB2 ASP 40 HB2 ASP 40 0.372 -7.051 -8.170 221 HB3 ASP 40 HB3 ASP 40 -0.632 -7.154 -6.682 222 H ASN 41 H ASN 41 0.479 -4.247 -4.897 223 HA ASN 41 HA ASN 41 -2.123 -3.160 -4.518 224 HB2 ASN 41 HB2 ASN 41 -2.350 -3.997 -2.243 225 HB3 ASN 41 HB3 ASN 41 -2.304 -5.354 -3.367 226 HD21 ASN 41 HD21 ASN 41 -1.872 -5.358 -0.549 227 HD22 ASN 41 HD22 ASN 41 -0.252 -5.927 -0.282 228 H CYS 42 H CYS 42 -2.049 -1.654 -2.724 229 HA CYS 42 HA CYS 42 0.452 -0.168 -2.770 230 HB2 CYS 42 HB2 CYS 42 -1.891 0.837 -2.949 231 HB3 CYS 42 HB3 CYS 42 -2.100 0.381 -1.295 232 H ALA 43 H ALA 43 1.924 -0.778 -1.273 233 HA ALA 43 HA ALA 43 1.176 -2.480 0.960 234 HB1 ALA 43 HB1 ALA 43 3.555 -2.487 1.479 235 HB2 ALA 43 HB2 ALA 43 3.830 -1.208 0.281 236 HB3 ALA 43 HB3 ALA 43 3.284 -2.804 -0.234 237 H ILE 44 H ILE 44 1.389 0.832 0.406 238 HA ILE 44 HA ILE 44 2.300 1.675 2.964 239 HB ILE 44 HB ILE 44 0.774 3.206 0.845 240 HG12 ILE 44 HG12 ILE 44 3.748 2.759 1.294 241 HG13 ILE 44 HG11 ILE 44 2.761 2.177 0.017 242 HG21 ILE 44 HG21 ILE 44 2.491 4.132 3.160 243 HG22 ILE 44 HG22 ILE 44 0.728 4.314 3.022 244 HG23 ILE 44 HG23 ILE 44 1.803 5.180 1.909 245 HD11 ILE 44 HD11 ILE 44 4.053 4.077 -0.738 246 HD12 ILE 44 HD31 ILE 44 2.319 4.399 -0.825 247 HD13 ILE 44 HD21 ILE 44 3.294 5.079 0.484 248 H CYS 45 H CYS 45 -0.896 1.447 1.460 249 HA CYS 45 HA CYS 45 -2.160 1.907 4.065 250 HB2 CYS 45 HB2 CYS 45 -4.257 1.950 2.676 251 HB3 CYS 45 HB3 CYS 45 -3.099 3.229 2.241 252 H ARG 46 H ARG 46 -1.425 -0.452 1.716 253 HA ARG 46 HA ARG 46 -1.582 -2.584 1.514 254 HB2 ARG 46 HB2 ARG 46 -0.955 -2.745 3.854 255 HB3 ARG 46 HB3 ARG 46 -2.631 -2.612 4.363 256 HG2 ARG 46 HG2 ARG 46 -3.115 -4.756 3.306 257 HG3 ARG 46 HG3 ARG 46 -1.464 -4.838 2.707 258 HD2 ARG 46 HD2 ARG 46 -1.661 -6.197 4.709 259 HD3 ARG 46 HD3 ARG 46 -0.616 -4.792 4.945 260 HE ARG 46 HE ARG 46 -3.094 -3.963 5.742 261 HH11 ARG 46 HH11 ARG 46 -0.977 -6.634 6.733 262 HH12 ARG 46 HH12 ARG 46 -1.442 -6.580 8.364 263 HH21 ARG 46 HH21 ARG 46 -3.710 -3.876 7.972 264 HH22 ARG 46 HH22 ARG 46 -3.038 -4.952 9.105 265 H ASN 47 H ASN 47 -3.178 -1.248 0.234 266 HA ASN 47 HA ASN 47 -5.666 -2.776 0.197 267 HB2 ASN 47 HB2 ASN 47 -5.137 0.129 -0.203 268 HB3 ASN 47 HB3 ASN 47 -6.511 -0.635 -0.974 269 HD21 ASN 47 HD21 ASN 47 -5.098 0.368 2.028 270 HD22 ASN 47 HD22 ASN 47 -6.490 0.147 3.030 271 H HIS 48 H HIS 48 -6.543 -2.730 -2.144 272 HA HIS 48 HA HIS 48 -4.419 -3.977 -3.550 273 HB2 HIS 48 HB2 HIS 48 -6.837 -4.750 -3.568 274 HB3 HIS 48 HB3 HIS 48 -7.147 -3.445 -4.724 275 HD2 HIS 48 HD2 HIS 48 -4.403 -6.284 -4.613 276 HE1 HIS 48 HE1 HIS 48 -5.970 -6.031 -8.525 277 HE2 HIS 48 HE2 HIS 48 -4.092 -6.818 -7.125 278 H ILE 49 H ILE 49 -3.777 -3.574 -5.814 279 HA ILE 49 HA ILE 49 -2.768 -1.082 -5.965 280 HB ILE 49 HB ILE 49 -1.797 -3.066 -7.099 281 HG12 ILE 49 HG12 ILE 49 -0.931 -1.769 -9.098 282 HG13 ILE 49 HG11 ILE 49 -2.170 -0.583 -8.750 283 HG21 ILE 49 HG21 ILE 49 -3.876 -2.524 -9.214 284 HG22 ILE 49 HG22 ILE 49 -3.768 -3.957 -8.202 285 HG23 ILE 49 HG23 ILE 49 -2.518 -3.625 -9.387 286 HD11 ILE 49 HD11 ILE 49 -0.049 -1.392 -6.807 287 HD12 ILE 49 HD31 ILE 49 0.051 0.032 -7.844 288 HD13 ILE 49 HD21 ILE 49 -1.219 -0.068 -6.639 289 H MET 50 H MET 50 -3.322 0.743 -7.037 290 HA MET 50 HA MET 50 -4.529 2.322 -8.104 291 HB2 MET 50 HB2 MET 50 -3.582 0.984 -9.984 292 HB3 MET 50 HB3 MET 50 -5.061 0.045 -10.015 293 HG2 MET 50 HG2 MET 50 -6.330 1.938 -10.780 294 HG3 MET 50 HG3 MET 50 -4.955 3.006 -10.552 295 HE1 MET 50 HE1 MET 50 -5.071 -0.328 -13.758 296 HE2 MET 50 HE2 MET 50 -6.372 -0.041 -12.595 297 HE3 MET 50 HE3 MET 50 -4.812 -0.642 -12.040 298 H ASP 51 H ASP 51 -5.948 0.812 -6.079 299 HA ASP 51 HA ASP 51 -8.744 1.185 -6.974 300 HB2 ASP 51 HB2 ASP 51 -8.018 -1.200 -6.421 301 HB3 ASP 51 HB3 ASP 51 -7.735 -0.667 -4.778 302 H LEU 52 H LEU 52 -9.858 1.106 -4.321 303 HA LEU 52 HA LEU 52 -9.435 3.752 -3.366 304 HB2 LEU 52 HB2 LEU 52 -10.956 1.375 -2.323 305 HB3 LEU 52 HB3 LEU 52 -10.961 2.947 -1.550 306 HG LEU 52 HG LEU 52 -11.830 2.613 -4.423 307 HD11 LEU 52 HD11 LEU 52 -13.599 2.577 -1.970 308 HD12 LEU 52 HD12 LEU 52 -13.247 1.178 -2.982 309 HD13 LEU 52 HD13 LEU 52 -14.116 2.554 -3.655 310 HD21 LEU 52 HD21 LEU 52 -11.250 4.879 -3.692 311 HD22 LEU 52 HD22 LEU 52 -12.344 4.692 -2.314 312 HD23 LEU 52 HD23 LEU 52 -12.994 4.710 -3.948 313 H CYS 53 H CYS 53 -8.395 4.410 -1.415 314 HA CYS 53 HA CYS 53 -6.318 2.678 -0.392 315 HB2 CYS 53 HB2 CYS 53 -6.988 5.486 0.530 316 HB3 CYS 53 HB3 CYS 53 -5.466 4.630 0.674 317 H ILE 54 H ILE 54 -6.050 3.540 2.188 318 HA ILE 54 HA ILE 54 -7.437 1.795 3.834 319 HB ILE 54 HB ILE 54 -7.015 3.676 5.619 320 HG12 ILE 54 HG12 ILE 54 -5.248 4.563 3.315 321 HG13 ILE 54 HG11 ILE 54 -6.496 5.455 4.046 322 HG21 ILE 54 HG21 ILE 54 -4.825 2.831 6.014 323 HG22 ILE 54 HG22 ILE 54 -4.774 2.093 4.416 324 HG23 ILE 54 HG23 ILE 54 -5.956 1.539 5.620 325 HD11 ILE 54 HD11 ILE 54 -4.380 6.246 4.820 326 HD12 ILE 54 HD31 ILE 54 -5.339 5.588 6.145 327 HD13 ILE 54 HD21 ILE 54 -3.991 4.649 5.470 328 H GLU 55 H GLU 55 -7.962 5.142 4.488 329 HA GLU 55 HA GLU 55 -10.563 4.670 5.460 330 HB2 GLU 55 HB2 GLU 55 -9.114 7.235 4.848 331 HB3 GLU 55 HB3 GLU 55 -10.608 7.090 5.742 332 HG2 GLU 55 HG2 GLU 55 -9.402 5.638 7.407 333 HG3 GLU 55 HG3 GLU 55 -7.959 5.958 6.506 334 H CYS 56 H CYS 56 -9.171 5.637 2.459 335 HA CYS 56 HA CYS 56 -11.107 7.326 1.474 336 HB2 CYS 56 HB2 CYS 56 -9.470 5.340 -0.078 337 HB3 CYS 56 HB3 CYS 56 -10.292 6.742 -0.754 338 H GLN 57 H GLN 57 -11.092 3.744 1.155 339 HA GLN 57 HA GLN 57 -13.443 3.686 -0.324 340 HB2 GLN 57 HB2 GLN 57 -13.642 1.282 0.487 341 HB3 GLN 57 HB3 GLN 57 -12.208 1.730 -0.432 342 HG2 GLN 57 HG2 GLN 57 -11.314 0.425 1.252 343 HG3 GLN 57 HG3 GLN 57 -11.133 2.044 1.869 344 HE21 GLN 57 HE21 GLN 57 -11.003 1.227 3.926 345 HE22 GLN 57 HE22 GLN 57 -12.384 0.720 4.843 346 H ALA 58 H ALA 58 -13.035 3.596 3.146 347 HA ALA 58 HA ALA 58 -15.843 3.379 3.744 348 HB1 ALA 58 HB1 ALA 58 -15.218 3.931 6.023 349 HB2 ALA 58 HB2 ALA 58 -13.660 4.497 5.474 350 HB3 ALA 58 HB3 ALA 58 -14.062 2.761 5.365 351 H ASN 59 H ASN 59 -13.574 5.922 3.316 352 HA ASN 59 HA ASN 59 -14.850 8.173 4.347 353 HB2 ASN 59 HB2 ASN 59 -12.430 7.903 3.769 354 HB3 ASN 59 HB3 ASN 59 -12.900 7.885 2.089 355 HD21 ASN 59 HD21 ASN 59 -12.425 9.791 4.893 356 HD22 ASN 59 HD22 ASN 59 -12.490 11.323 4.097 357 H GLN 60 H GLN 60 -14.958 6.551 1.268 358 HA GLN 60 HA GLN 60 -16.158 6.738 -0.571 359 HB2 GLN 60 HB2 GLN 60 -17.672 8.881 0.922 360 HB3 GLN 60 HB3 GLN 60 -18.044 8.473 -0.755 361 HG2 GLN 60 HG2 GLN 60 -18.161 6.578 1.581 362 HG3 GLN 60 HG3 GLN 60 -19.558 7.404 0.889 363 HE21 GLN 60 HE21 GLN 60 -20.244 6.797 -1.202 364 HE22 GLN 60 HE22 GLN 60 -19.785 5.283 -1.892 365 H ALA 61 H ALA 61 -14.326 7.218 -1.565 366 HA ALA 61 HA ALA 61 -13.204 9.803 -1.695 367 HB1 ALA 61 HB1 ALA 61 -11.832 8.933 -3.515 368 HB2 ALA 61 HB2 ALA 61 -12.853 7.491 -3.613 369 HB3 ALA 61 HB3 ALA 61 -11.890 7.796 -2.172 370 H SER 62 H SER 62 -13.418 11.406 -3.237 371 HA SER 62 HA SER 62 -15.700 11.076 -5.026 372 HB2 SER 62 HB2 SER 62 -16.025 12.638 -3.061 373 HB3 SER 62 HB3 SER 62 -14.769 13.659 -3.757 374 HG SER 62 HG SER 62 -16.089 13.838 -5.645 375 H ALA 63 H ALA 63 -14.303 10.324 -6.668 376 HA ALA 63 HA ALA 63 -13.394 12.231 -8.484 377 HB1 ALA 63 HB1 ALA 63 -10.987 11.812 -8.474 378 HB2 ALA 63 HB2 ALA 63 -11.167 10.682 -7.143 379 HB3 ALA 63 HB3 ALA 63 -11.465 12.403 -6.876 380 H THR 64 H THR 64 -12.022 9.102 -7.538 381 HA THR 64 HA THR 64 -13.731 7.686 -9.399 382 HB THR 64 HB THR 64 -10.717 7.281 -9.483 383 HG1 THR 64 HG3 THR 64 -12.394 9.045 -10.817 384 HG21 THR 64 HG21 THR 64 -12.911 6.538 -11.413 385 HG22 THR 64 HG22 THR 64 -12.222 5.457 -10.216 386 HG23 THR 64 HG23 THR 64 -11.210 6.074 -11.528 387 H SER 65 H SER 65 -14.361 5.820 -8.349 388 HA SER 65 HA SER 65 -12.864 5.072 -5.936 389 HB2 SER 65 HB2 SER 65 -15.503 4.024 -6.955 390 HB3 SER 65 HB3 SER 65 -14.776 3.731 -5.362 391 HG SER 65 HG SER 65 -15.074 6.366 -6.134 392 H GLU 66 H GLU 66 -13.361 4.149 -9.145 393 HA GLU 66 HA GLU 66 -12.462 1.491 -9.145 394 HB2 GLU 66 HB2 GLU 66 -13.311 2.639 -11.130 395 HB3 GLU 66 HB3 GLU 66 -11.973 3.752 -11.086 396 HG2 GLU 66 HG2 GLU 66 -11.636 2.135 -12.795 397 HG3 GLU 66 HG3 GLU 66 -10.410 1.925 -11.536 398 H GLU 67 H GLU 67 -10.784 4.598 -9.080 399 HA GLU 67 HA GLU 67 -8.502 3.377 -7.857 400 HB2 GLU 67 HB2 GLU 67 -6.967 4.626 -9.392 401 HB3 GLU 67 HB3 GLU 67 -7.803 3.291 -10.148 402 HG2 GLU 67 HG2 GLU 67 -9.327 4.830 -11.251 403 HG3 GLU 67 HG3 GLU 67 -8.632 6.175 -10.365 404 H CYS 68 H CYS 68 -8.384 4.533 -6.097 405 HA CYS 68 HA CYS 68 -9.373 7.126 -5.704 406 HB2 CYS 68 HB2 CYS 68 -8.871 5.702 -3.813 407 HB3 CYS 68 HB3 CYS 68 -7.181 5.610 -4.253 408 H THR 69 H THR 69 -5.993 6.162 -5.808 409 HA THR 69 HA THR 69 -5.218 8.023 -7.835 410 HB THR 69 HB THR 69 -3.409 8.840 -6.009 411 HG1 THR 69 HG3 THR 69 -5.772 8.492 -4.534 412 HG21 THR 69 HG21 THR 69 -6.121 10.166 -6.216 413 HG22 THR 69 HG22 THR 69 -4.861 10.300 -7.436 414 HG23 THR 69 HG23 THR 69 -4.581 10.943 -5.827 415 H VAL 70 H VAL 70 -3.367 7.119 -8.851 416 HA VAL 70 HA VAL 70 -1.703 5.320 -7.240 417 HB VAL 70 HB VAL 70 -3.462 4.011 -8.532 418 HG11 VAL 70 HG11 VAL 70 -1.814 4.900 -10.880 419 HG12 VAL 70 HG12 VAL 70 -3.529 5.217 -10.566 420 HG13 VAL 70 HG13 VAL 70 -2.981 3.573 -10.902 421 HG21 VAL 70 HG21 VAL 70 -1.445 2.970 -7.634 422 HG22 VAL 70 HG22 VAL 70 -0.564 3.373 -9.114 423 HG23 VAL 70 HG23 VAL 70 -1.901 2.242 -9.166 424 H ALA 71 H ALA 71 0.446 5.121 -7.834 425 HA ALA 71 HA ALA 71 1.375 6.579 -10.186 426 HB1 ALA 71 HB1 ALA 71 3.137 7.629 -8.814 427 HB2 ALA 71 HB2 ALA 71 2.339 7.053 -7.356 428 HB3 ALA 71 HB3 ALA 71 1.533 8.221 -8.411 429 H TRP 72 H TRP 72 3.139 5.677 -11.096 430 HA TRP 72 HA TRP 72 4.029 3.180 -9.901 431 HB2 TRP 72 HB2 TRP 72 4.784 4.234 -12.588 432 HB3 TRP 72 HB3 TRP 72 4.846 2.599 -12.001 433 HD1 TRP 72 HD TRP 72 2.991 4.253 -14.506 434 HE1 TRP 72 HE1 TRP 72 0.616 3.354 -14.838 435 HE3 TRP 72 HE3 TRP 72 2.502 1.715 -10.147 436 HZ2 TRP 72 HZ2 TRP 72 -1.235 1.762 -13.432 437 HZ3 TRP 72 HZ3 TRP 72 0.349 0.507 -9.711 438 HH2 TRP 72 HH TRP 72 -1.451 0.556 -11.328 439 H GLY 73 H GLY 73 6.149 2.825 -9.498 440 HA2 GLY 73 HA2 GLY 73 7.832 5.209 -9.310 441 HA3 GLY 73 HA3 GLY 73 8.008 3.708 -8.390 442 H VAL 74 H VAL 74 9.822 5.273 -10.237 443 HA VAL 74 HA VAL 74 10.295 3.771 -12.597 444 HB VAL 74 HB VAL 74 12.310 5.338 -10.978 445 HG11 VAL 74 HG11 VAL 74 12.299 4.635 -13.913 446 HG12 VAL 74 HG12 VAL 74 13.353 3.950 -12.687 447 HG13 VAL 74 HG13 VAL 74 13.506 5.652 -13.125 448 HG21 VAL 74 HG21 VAL 74 10.340 6.699 -11.510 449 HG22 VAL 74 HG22 VAL 74 10.529 6.322 -13.208 450 HG23 VAL 74 HG23 VAL 74 11.758 7.270 -12.379 451 H CYS 75 H CYS 75 11.009 3.286 -9.306 452 HA CYS 75 HA CYS 75 13.183 1.448 -9.557 453 HB2 CYS 75 HB2 CYS 75 12.725 1.300 -7.084 454 HB3 CYS 75 HB3 CYS 75 13.108 2.896 -7.706 455 H ASN 76 H ASN 76 10.416 0.957 -10.784 456 HA ASN 76 HA ASN 76 9.035 -0.751 -11.242 457 HB2 ASN 76 HB2 ASN 76 11.194 -1.990 -11.431 458 HB3 ASN 76 HB3 ASN 76 11.024 -2.480 -9.751 459 HD21 ASN 76 HD21 ASN 76 10.982 -4.661 -10.375 460 HD22 ASN 76 HD22 ASN 76 9.605 -5.389 -11.132 461 H HIS 77 H HIS 77 8.424 0.794 -9.211 462 HA HIS 77 HA HIS 77 7.146 -1.053 -7.357 463 HB2 HIS 77 HB2 HIS 77 8.417 1.562 -6.834 464 HB3 HIS 77 HB3 HIS 77 6.964 1.149 -5.923 465 HD2 HIS 77 HD2 HIS 77 8.020 -2.132 -5.724 466 HE1 HIS 77 HE1 HIS 77 10.812 -0.278 -3.156 467 HE2 HIS 77 HE2 HIS 77 9.981 -2.419 -4.052 468 H ALA 78 H ALA 78 5.038 -0.482 -6.579 469 HA ALA 78 HA ALA 78 3.667 1.539 -8.134 470 HB1 ALA 78 HB1 ALA 78 2.694 -1.299 -7.785 471 HB2 ALA 78 HB2 ALA 78 3.441 -0.670 -9.243 472 HB3 ALA 78 HB3 ALA 78 1.901 -0.007 -8.694 473 H PHE 79 H PHE 79 2.645 2.792 -6.736 474 HA PHE 79 HA PHE 79 1.404 1.609 -4.374 475 HB2 PHE 79 HB2 PHE 79 3.154 4.059 -4.385 476 HB3 PHE 79 HB3 PHE 79 2.181 3.559 -3.018 477 HD1 PHE 79 HD2 PHE 79 2.809 1.270 -1.942 478 HD2 PHE 79 HD3 PHE 79 5.279 3.270 -4.762 479 HE1 PHE 79 HE2 PHE 79 4.759 -0.095 -1.220 480 HE2 PHE 79 HE1 PHE 79 7.201 1.909 -4.031 481 HZ PHE 79 HZ PHE 79 6.930 0.250 -2.290 482 H HIS 80 H HIS 80 -0.091 3.332 -3.346 483 HA HIS 80 HA HIS 80 -1.613 4.581 -5.429 484 HB2 HIS 80 HB2 HIS 80 -1.737 4.507 -2.447 485 HB3 HIS 80 HB3 HIS 80 -2.687 5.665 -3.340 486 HD2 HIS 80 HD2 HIS 80 -3.709 3.421 -5.698 487 HE1 HIS 80 HE1 HIS 80 -5.531 1.636 -2.336 488 HE2 HIS 80 HE2 HIS 80 -5.803 2.383 -4.610 489 H PHE 81 H PHE 81 -1.525 6.683 -6.022 490 HA PHE 81 HA PHE 81 0.773 8.127 -5.423 491 HB2 PHE 81 HB2 PHE 81 -0.353 8.535 -7.470 492 HB3 PHE 81 HB3 PHE 81 -1.808 9.108 -6.722 493 HD1 PHE 81 HD3 PHE 81 1.786 9.802 -7.206 494 HD2 PHE 81 HD2 PHE 81 -2.010 11.431 -6.202 495 HE1 PHE 81 HE1 PHE 81 2.720 12.060 -7.366 496 HE2 PHE 81 HE2 PHE 81 -1.076 13.698 -6.357 497 HZ PHE 81 HZ PHE 81 1.294 14.018 -6.938 498 H HIS 82 H HIS 82 -2.420 8.240 -4.056 499 HA HIS 82 HA HIS 82 -2.108 10.434 -2.313 500 HB2 HIS 82 HB2 HIS 82 -4.274 9.473 -2.629 501 HB3 HIS 82 HB3 HIS 82 -3.717 7.889 -2.132 502 HD2 HIS 82 HD2 HIS 82 -3.001 10.934 0.167 503 HE1 HIS 82 HE1 HIS 82 -6.016 8.566 1.991 504 HE2 HIS 82 HE2 HIS 82 -4.885 10.787 1.940 505 H CYS 83 H CYS 83 -1.495 6.970 -1.748 506 HA CYS 83 HA CYS 83 -0.693 7.319 0.914 507 HB2 CYS 83 HB2 CYS 83 -0.119 4.981 -0.940 508 HB3 CYS 83 HB3 CYS 83 -0.040 5.036 0.803 509 H ILE 84 H ILE 84 1.070 6.903 -2.129 510 HA ILE 84 HA ILE 84 3.612 6.891 -0.886 511 HB ILE 84 HB ILE 84 3.207 6.016 -3.249 512 HG12 ILE 84 HG12 ILE 84 5.357 6.909 -4.158 513 HG13 ILE 84 HG11 ILE 84 5.390 8.024 -2.810 514 HG21 ILE 84 HG21 ILE 84 3.322 8.911 -4.003 515 HG22 ILE 84 HG22 ILE 84 1.897 7.893 -3.979 516 HG23 ILE 84 HG23 ILE 84 3.224 7.515 -5.106 517 HD11 ILE 84 HD11 ILE 84 5.414 5.027 -2.555 518 HD12 ILE 84 HD31 ILE 84 6.814 6.086 -2.395 519 HD13 ILE 84 HD21 ILE 84 5.497 6.191 -1.222 520 H SER 85 H SER 85 1.622 9.503 -2.130 521 HA SER 85 HA SER 85 3.543 11.528 -1.982 522 HB2 SER 85 HB2 SER 85 0.548 11.661 -1.707 523 HB3 SER 85 HB3 SER 85 1.577 13.095 -1.813 524 HG SER 85 HG SER 85 1.056 11.087 -3.698 525 H ARG 86 H ARG 86 1.241 10.384 0.459 526 HA ARG 86 HA ARG 86 1.998 12.156 2.539 527 HB2 ARG 86 HB2 ARG 86 0.918 9.340 2.588 528 HB3 ARG 86 HB3 ARG 86 1.145 10.330 4.031 529 HG2 ARG 86 HG2 ARG 86 -0.627 11.093 1.711 530 HG3 ARG 86 HG3 ARG 86 -1.161 10.240 3.164 531 HD2 ARG 86 HD2 ARG 86 -0.476 12.080 4.558 532 HD3 ARG 86 HD3 ARG 86 0.201 12.932 3.177 533 HE ARG 86 HE ARG 86 -2.245 12.741 2.359 534 HH11 ARG 86 HH11 ARG 86 -1.158 13.411 5.703 535 HH12 ARG 86 HH12 ARG 86 -2.486 14.389 6.079 536 HH21 ARG 86 HH21 ARG 86 -4.078 14.100 2.910 537 HH22 ARG 86 HH22 ARG 86 -4.175 14.813 4.452 538 H TRP 87 H TRP 87 3.162 9.002 1.513 539 HA TRP 87 HA TRP 87 5.009 8.497 3.567 540 HB2 TRP 87 HB2 TRP 87 4.314 6.739 2.060 541 HB3 TRP 87 HB3 TRP 87 4.916 7.646 0.682 542 HD1 TRP 87 HD TRP 87 7.321 7.154 -0.075 543 HE1 TRP 87 HE1 TRP 87 9.280 5.825 0.939 544 HE3 TRP 87 HE3 TRP 87 5.344 6.111 4.498 545 HZ2 TRP 87 HZ2 TRP 87 9.922 4.521 3.344 546 HZ3 TRP 87 HZ3 TRP 87 6.704 4.812 6.132 547 HH2 TRP 87 HH TRP 87 8.948 4.041 5.551 548 H LEU 88 H LEU 88 5.400 9.984 0.426 549 HA LEU 88 HA LEU 88 8.170 10.505 0.654 550 HB2 LEU 88 HB2 LEU 88 6.050 11.635 -1.118 551 HB3 LEU 88 HB3 LEU 88 7.766 11.933 -1.331 552 HG LEU 88 HG LEU 88 6.525 9.195 -1.348 553 HD11 LEU 88 HD11 LEU 88 7.288 10.991 -3.632 554 HD12 LEU 88 HD12 LEU 88 5.662 10.434 -3.165 555 HD13 LEU 88 HD13 LEU 88 6.861 9.278 -3.734 556 HD21 LEU 88 HD21 LEU 88 8.929 9.259 -0.737 557 HD22 LEU 88 HD22 LEU 88 9.266 10.111 -2.247 558 HD23 LEU 88 HD23 LEU 88 8.631 8.487 -2.281 559 H LYS 89 H LYS 89 5.369 12.199 1.594 560 HA LYS 89 HA LYS 89 6.392 14.789 1.893 561 HB2 LYS 89 HB2 LYS 89 4.014 14.110 1.942 562 HB3 LYS 89 HB3 LYS 89 4.283 13.344 3.495 563 HG2 LYS 89 HG2 LYS 89 4.723 15.514 4.494 564 HG3 LYS 89 HG3 LYS 89 4.522 16.292 2.912 565 HD2 LYS 89 HD2 LYS 89 2.233 15.425 2.784 566 HD3 LYS 89 HD3 LYS 89 2.415 14.695 4.367 567 HE2 LYS 89 HE2 LYS 89 2.745 16.907 5.335 568 HE3 LYS 89 HE1 LYS 89 2.590 17.614 3.712 569 HZ1 LYS 89 HZ1 LYS 89 0.320 16.557 3.643 570 HZ2 LYS 89 HZ2 LYS 89 0.480 17.841 4.719 571 HZ3 LYS 89 HZ3 LYS 89 0.488 16.258 5.308 572 H THR 90 H THR 90 6.397 11.945 3.965 573 HA THR 90 HA THR 90 8.080 13.374 5.858 574 HB THR 90 HB THR 90 6.280 12.325 6.980 575 HG1 THR 90 HG3 THR 90 8.432 12.028 7.932 576 HG21 THR 90 HG21 THR 90 7.005 9.781 5.516 577 HG22 THR 90 HG22 THR 90 5.502 10.711 5.416 578 HG23 THR 90 HG23 THR 90 5.909 9.848 6.891 579 H ARG 91 H ARG 91 8.356 10.769 3.489 580 HA ARG 91 HA ARG 91 11.132 10.242 4.373 581 HB2 ARG 91 HB2 ARG 91 9.178 8.250 3.170 582 HB3 ARG 91 HB3 ARG 91 10.839 7.958 3.568 583 HG2 ARG 91 HG2 ARG 91 8.788 8.742 5.615 584 HG3 ARG 91 HG3 ARG 91 9.242 7.084 5.227 585 HD2 ARG 91 HD2 ARG 91 11.519 7.464 5.860 586 HD3 ARG 91 HD3 ARG 91 11.217 9.180 6.108 587 HE ARG 91 HE ARG 91 9.509 8.072 7.824 588 HH11 ARG 91 HH11 ARG 91 12.867 7.263 7.188 589 HH12 ARG 91 HH12 ARG 91 13.275 6.957 8.817 590 HH21 ARG 91 HH21 ARG 91 10.016 7.660 10.044 591 HH22 ARG 91 HH22 ARG 91 11.594 7.184 10.503 592 H GLN 92 H GLN 92 12.666 9.855 2.765 593 HA GLN 92 HA GLN 92 11.933 10.873 0.103 594 HB2 GLN 92 HB2 GLN 92 14.585 10.526 1.462 595 HB3 GLN 92 HB3 GLN 92 14.416 10.990 -0.218 596 HG2 GLN 92 HG2 GLN 92 13.176 13.012 0.494 597 HG3 GLN 92 HG3 GLN 92 13.365 12.512 2.174 598 HE21 GLN 92 HE21 GLN 92 14.252 14.880 0.711 599 HE22 GLN 92 HE22 GLN 92 15.958 15.026 0.950 600 H VAL 93 H VAL 93 12.301 7.936 1.562 601 HA VAL 93 HA VAL 93 13.396 6.655 -0.864 602 HB VAL 93 HB VAL 93 14.291 4.874 0.712 603 HG11 VAL 93 HG11 VAL 93 15.449 7.635 1.074 604 HG12 VAL 93 HG12 VAL 93 15.684 6.606 -0.342 605 HG13 VAL 93 HG13 VAL 93 16.299 6.085 1.229 606 HG21 VAL 93 HG21 VAL 93 14.618 5.500 3.043 607 HG22 VAL 93 HG22 VAL 93 12.887 5.555 2.639 608 HG23 VAL 93 HG23 VAL 93 13.819 7.041 2.728 609 H CYS 94 H CYS 94 12.639 4.602 -1.357 610 HA CYS 94 HA CYS 94 9.941 4.100 -1.145 611 HB2 CYS 94 HB2 CYS 94 12.210 2.259 -1.472 612 HB3 CYS 94 HB3 CYS 94 10.553 1.766 -1.837 613 HA PRO 95 HA PRO 95 9.581 2.294 2.931 614 HB2 PRO 95 HB2 PRO 95 7.241 0.947 2.556 615 HB3 PRO 95 HB3 PRO 95 7.301 2.702 2.772 616 HG2 PRO 95 HG2 PRO 95 7.079 1.120 0.248 617 HG3 PRO 95 HG3 PRO 95 6.215 2.597 0.712 618 HD2 PRO 95 HD2 PRO 95 8.350 2.584 -0.940 619 HD3 PRO 95 HD3 PRO 95 8.028 3.963 0.085 620 H LEU 96 H LEU 96 9.615 0.635 -0.010 621 HA LEU 96 HA LEU 96 9.979 -2.023 1.224 622 HB2 LEU 96 HB2 LEU 96 9.595 -1.285 -1.659 623 HB3 LEU 96 HB3 LEU 96 9.591 -2.919 -1.034 624 HG LEU 96 HG LEU 96 7.515 -0.771 -0.616 625 HD11 LEU 96 HD11 LEU 96 7.407 -3.365 -2.111 626 HD12 LEU 96 HD12 LEU 96 7.531 -1.760 -2.791 627 HD13 LEU 96 HD13 LEU 96 6.077 -2.217 -1.904 628 HD21 LEU 96 HD21 LEU 96 6.214 -2.388 0.611 629 HD22 LEU 96 HD22 LEU 96 7.778 -2.200 1.428 630 HD23 LEU 96 HD23 LEU 96 7.464 -3.612 0.412 631 H ASP 97 H ASP 97 11.334 0.023 -1.325 632 HA ASP 97 HA ASP 97 13.663 -1.575 -1.819 633 HB2 ASP 97 HB2 ASP 97 12.733 1.092 -2.722 634 HB3 ASP 97 HB3 ASP 97 14.444 0.726 -2.902 635 H ASN 98 H ASN 98 12.951 1.123 0.277 636 HA ASN 98 HA ASN 98 14.157 2.486 1.592 637 HB2 ASN 98 HB2 ASN 98 16.074 0.154 1.544 638 HB3 ASN 98 HB3 ASN 98 16.261 1.528 2.625 639 HD21 ASN 98 HD21 ASN 98 15.798 -1.355 3.148 640 HD22 ASN 98 HD22 ASN 98 14.413 -1.452 4.160 641 H ARG 99 H ARG 99 14.387 2.625 -1.230 642 HA ARG 99 HA ARG 99 17.068 3.839 -1.659 643 HB2 ARG 99 HB2 ARG 99 15.199 2.632 -3.728 644 HB3 ARG 99 HB3 ARG 99 16.797 3.286 -4.010 645 HG2 ARG 99 HG2 ARG 99 16.627 1.140 -2.057 646 HG3 ARG 99 HG3 ARG 99 16.238 0.688 -3.722 647 HD2 ARG 99 HD2 ARG 99 18.603 0.297 -3.262 648 HD3 ARG 99 HD3 ARG 99 18.403 1.553 -4.473 649 HE ARG 99 HE ARG 99 18.644 2.751 -1.935 650 HH11 ARG 99 HH11 ARG 99 20.548 0.941 -4.296 651 HH12 ARG 99 HH12 ARG 99 22.031 1.639 -3.876 652 HH21 ARG 99 HH21 ARG 99 20.613 3.744 -1.345 653 HH22 ARG 99 HH22 ARG 99 22.088 3.333 -2.130 654 H GLU 100 H GLU 100 16.866 5.781 -3.073 655 HA GLU 100 HA GLU 100 14.664 7.303 -2.181 656 HB2 GLU 100 HB2 GLU 100 16.718 7.954 -4.279 657 HB3 GLU 100 HB3 GLU 100 15.470 9.089 -3.754 658 HG2 GLU 100 HG2 GLU 100 16.281 8.957 -1.484 659 HG3 GLU 100 HG3 GLU 100 17.546 7.841 -1.980 660 H TRP 101 H TRP 101 12.791 7.746 -2.954 661 HA TRP 101 HA TRP 101 11.826 6.019 -5.001 662 HB2 TRP 101 HB2 TRP 101 10.347 6.268 -3.176 663 HB3 TRP 101 HB3 TRP 101 10.561 7.974 -3.098 664 HD1 TRP 101 HD TRP 101 9.202 9.476 -4.808 665 HE1 TRP 101 HE1 TRP 101 7.115 9.033 -6.239 666 HE3 TRP 101 HE3 TRP 101 9.122 4.444 -4.472 667 HZ2 TRP 101 HZ2 TRP 101 5.617 6.835 -7.101 668 HZ3 TRP 101 HZ3 TRP 101 7.304 3.204 -5.629 669 HH2 TRP 101 HH TRP 101 5.592 4.392 -6.912 670 H GLU 102 H GLU 102 11.085 6.538 -7.002 671 HA GLU 102 HA GLU 102 11.316 9.310 -7.926 672 HB2 GLU 102 HB2 GLU 102 12.393 6.816 -9.258 673 HB3 GLU 102 HB3 GLU 102 12.324 8.397 -10.028 674 HG2 GLU 102 HG2 GLU 102 13.861 9.285 -8.346 675 HG3 GLU 102 HG3 GLU 102 13.868 7.723 -7.543 676 H PHE 103 H PHE 103 9.656 9.883 -9.372 677 HA PHE 103 HA PHE 103 7.450 7.998 -9.563 678 HB2 PHE 103 HB2 PHE 103 7.712 10.924 -10.261 679 HB3 PHE 103 HB3 PHE 103 6.299 9.992 -10.666 680 HD1 PHE 103 HD2 PHE 103 4.902 9.066 -8.888 681 HD2 PHE 103 HD3 PHE 103 8.088 11.739 -8.130 682 HE1 PHE 103 HE2 PHE 103 3.916 9.564 -6.673 683 HE2 PHE 103 HE1 PHE 103 7.125 12.280 -5.902 684 HZ PHE 103 HZ PHE 103 5.032 11.185 -5.192 685 H GLN 104 H GLN 104 7.232 6.719 -11.210 686 HA GLN 104 HA GLN 104 8.587 7.161 -13.715 687 HB2 GLN 104 HB2 GLN 104 8.326 4.895 -12.734 688 HB3 GLN 104 HB3 GLN 104 6.603 5.086 -12.826 689 HG2 GLN 104 HG2 GLN 104 6.699 5.127 -15.241 690 HG3 GLN 104 HG3 GLN 104 8.463 4.998 -15.186 691 HE21 GLN 104 HE21 GLN 104 9.413 3.010 -14.639 692 HE22 GLN 104 HE22 GLN 104 8.503 1.570 -14.563 693 H LYS 105 H LYS 105 5.234 6.878 -12.618 694 HA LYS 105 HA LYS 105 4.315 8.885 -14.457 695 HB2 LYS 105 HB2 LYS 105 4.324 6.898 -15.883 696 HB3 LYS 105 HB3 LYS 105 3.467 6.003 -14.642 697 HG2 LYS 105 HG2 LYS 105 1.486 7.322 -15.005 698 HG3 LYS 105 HG3 LYS 105 2.323 8.328 -16.193 699 HD2 LYS 105 HD2 LYS 105 2.718 6.349 -17.578 700 HD3 LYS 105 HD3 LYS 105 1.857 5.353 -16.399 701 HE2 LYS 105 HE2 LYS 105 0.655 7.660 -17.941 702 HE3 LYS 105 HE1 LYS 105 0.510 5.958 -18.379 703 HZ1 LYS 105 HZ1 LYS 105 -0.621 7.287 -15.959 704 HZ2 LYS 105 HZ2 LYS 105 -0.525 5.615 -16.142 705 HZ3 LYS 105 HZ3 LYS 105 -1.432 6.512 -17.231 706 H TYR 106 H TYR 106 2.699 9.989 -13.435 707 HA TYR 106 HA TYR 106 1.051 8.532 -11.519 708 HB2 TYR 106 HB2 TYR 106 1.115 10.459 -9.931 709 HB3 TYR 106 HB3 TYR 106 2.649 9.636 -10.096 710 HD1 TYR 106 HD3 TYR 106 4.496 10.738 -11.304 711 HD2 TYR 106 HD2 TYR 106 0.839 12.766 -10.552 712 HE1 TYR 106 HE1 TYR 106 5.604 12.883 -11.764 713 HE2 TYR 106 HE2 TYR 106 1.934 14.917 -11.018 714 HH TYR 106 HH TYR 106 5.106 15.098 -12.384 715 H GLY 107 H GLY 107 1.364 11.341 -13.621 716 HA2 GLY 107 HA2 GLY 107 -0.340 12.040 -15.068 717 HA3 GLY 107 HA3 GLY 107 -1.499 11.145 -14.103 718 H HIS 108 H HIS 108 -2.340 12.063 -12.291 719 HA HIS 108 HA HIS 108 -2.203 14.992 -12.311 720 HB2 HIS 108 HB2 HIS 108 -4.495 14.907 -11.266 721 HB3 HIS 108 HB3 HIS 108 -4.412 14.297 -12.914 722 HD2 HIS 108 HD2 HIS 108 -5.755 13.266 -9.539 723 HE1 HIS 108 HE1 HIS 108 -5.406 9.686 -11.789 724 HE2 HIS 108 HE2 HIS 108 -6.611 10.862 -9.904 Start of MODEL 2 1 H1 GLY 9 H GLY 9 -36.874 -17.650 -9.622 2 HA2 GLY 9 HA2 GLY 9 -34.944 -16.709 -8.779 3 HA3 GLY 9 HA3 GLY 9 -35.487 -15.165 -9.440 4 H GLY 10 H GLY 10 -35.533 -13.694 -7.902 5 HA2 GLY 10 HA2 GLY 10 -37.159 -13.978 -5.609 6 HA3 GLY 10 HA3 GLY 10 -35.461 -14.176 -5.177 7 H GLY 11 H GLY 11 -36.331 -12.137 -3.921 8 HA2 GLY 11 HA2 GLY 11 -36.217 -9.751 -5.564 9 HA3 GLY 11 HA3 GLY 11 -36.497 -9.819 -3.825 10 H GLY 12 H GLY 12 -34.146 -9.575 -6.333 11 HA2 GLY 12 HA2 GLY 12 -31.925 -9.783 -4.486 12 HA3 GLY 12 HA3 GLY 12 -31.831 -9.458 -6.219 13 H THR 13 H THR 13 -30.737 -8.091 -3.712 14 HA THR 13 HA THR 13 -31.349 -5.423 -4.643 15 HB THR 13 HB THR 13 -33.047 -5.814 -2.917 16 HG1 THR 13 HG3 THR 13 -32.369 -4.070 -1.466 17 HG21 THR 13 HG21 THR 13 -31.836 -7.490 -1.575 18 HG22 THR 13 HG22 THR 13 -32.432 -6.170 -0.575 19 HG23 THR 13 HG23 THR 13 -30.728 -6.235 -1.020 20 H ASN 14 H ASN 14 -29.758 -3.901 -4.187 21 HA ASN 14 HA ASN 14 -27.490 -4.777 -2.592 22 HB2 ASN 14 HB2 ASN 14 -26.875 -5.292 -4.916 23 HB3 ASN 14 HB3 ASN 14 -27.234 -3.638 -5.389 24 HD21 ASN 14 HD21 ASN 14 -25.177 -3.156 -6.064 25 HD22 ASN 14 HD22 ASN 14 -23.846 -3.006 -4.973 26 H SER 15 H SER 15 -27.970 -3.353 -1.006 27 HA SER 15 HA SER 15 -27.555 -0.552 -1.734 28 HB2 SER 15 HB2 SER 15 -29.947 -1.104 -0.995 29 HB3 SER 15 HB3 SER 15 -29.267 -1.507 0.576 30 HG SER 15 HG SER 15 -30.109 0.752 -0.113 31 H GLY 16 H GLY 16 -25.367 -0.697 -1.305 32 HA2 GLY 16 HA2 GLY 16 -24.690 -1.030 1.544 33 HA3 GLY 16 HA3 GLY 16 -23.719 -1.798 0.299 34 H ALA 17 H ALA 17 -24.210 0.593 -1.467 35 HA ALA 17 HA ALA 17 -21.863 2.003 -0.786 36 HB1 ALA 17 HB1 ALA 17 -24.016 2.715 -2.771 37 HB2 ALA 17 HB2 ALA 17 -22.627 1.686 -3.100 38 HB3 ALA 17 HB3 ALA 17 -22.391 3.395 -2.723 39 H GLY 18 H GLY 18 -21.757 3.272 0.885 40 HA2 GLY 18 HA2 GLY 18 -23.790 5.369 1.166 41 HA3 GLY 18 HA3 GLY 18 -23.259 4.454 2.585 42 H LYS 19 H LYS 19 -22.870 7.320 1.221 43 HA LYS 19 HA LYS 19 -19.975 7.422 1.232 44 HB2 LYS 19 HB2 LYS 19 -20.215 9.755 0.592 45 HB3 LYS 19 HB3 LYS 19 -21.170 8.718 -0.453 46 HG2 LYS 19 HG2 LYS 19 -23.190 9.359 0.784 47 HG3 LYS 19 HG3 LYS 19 -22.219 10.420 1.812 48 HD2 LYS 19 HD2 LYS 19 -21.563 11.713 -0.144 49 HD3 LYS 19 HD3 LYS 19 -22.522 10.652 -1.180 50 HE2 LYS 19 HE2 LYS 19 -24.548 11.330 -0.002 51 HE3 LYS 19 HE1 LYS 19 -23.597 12.374 1.061 52 HZ1 LYS 19 HZ1 LYS 19 -22.905 13.623 -0.881 53 HZ2 LYS 19 HZ2 LYS 19 -24.565 13.703 -0.679 54 HZ3 LYS 19 HZ3 LYS 19 -23.896 12.703 -1.896 55 H LYS 20 H LYS 20 -18.709 8.758 2.573 56 HA LYS 20 HA LYS 20 -20.027 9.436 5.079 57 HB2 LYS 20 HB2 LYS 20 -17.353 8.153 4.602 58 HB3 LYS 20 HB3 LYS 20 -17.653 9.072 6.069 59 HG2 LYS 20 HG2 LYS 20 -18.048 6.816 6.638 60 HG3 LYS 20 HG3 LYS 20 -19.637 7.549 6.449 61 HD2 LYS 20 HD2 LYS 20 -19.834 6.613 4.211 62 HD3 LYS 20 HD3 LYS 20 -18.211 5.944 4.328 63 HE2 LYS 20 HE2 LYS 20 -18.937 4.507 6.166 64 HE3 LYS 20 HE1 LYS 20 -20.571 5.176 6.035 65 HZ1 LYS 20 HZ1 LYS 20 -19.136 3.609 3.935 66 HZ2 LYS 20 HZ2 LYS 20 -20.584 4.357 3.707 67 HZ3 LYS 20 HZ3 LYS 20 -20.479 3.088 4.825 68 H ARG 21 H ARG 21 -19.077 11.166 6.234 69 HA ARG 21 HA ARG 21 -18.841 13.357 4.437 70 HB2 ARG 21 HB2 ARG 21 -18.743 13.238 7.452 71 HB3 ARG 21 HB3 ARG 21 -18.828 14.715 6.501 72 HG2 ARG 21 HG2 ARG 21 -20.982 14.022 5.582 73 HG3 ARG 21 HG3 ARG 21 -20.885 12.523 6.499 74 HD2 ARG 21 HD2 ARG 21 -20.851 13.842 8.588 75 HD3 ARG 21 HD3 ARG 21 -21.042 15.309 7.635 76 HE ARG 21 HE ARG 21 -23.054 13.496 6.942 77 HH11 ARG 21 HH11 ARG 21 -22.116 15.655 9.594 78 HH12 ARG 21 HH12 ARG 21 -23.667 15.730 10.285 79 HH21 ARG 21 HH21 ARG 21 -25.220 13.624 7.868 80 HH22 ARG 21 HH22 ARG 21 -25.492 14.581 9.252 81 H PHE 22 H PHE 22 -17.196 14.979 4.550 82 HA PHE 22 HA PHE 22 -14.615 13.861 4.220 83 HB2 PHE 22 HB2 PHE 22 -13.851 16.150 3.797 84 HB3 PHE 22 HB3 PHE 22 -15.330 15.809 2.911 85 HD1 PHE 22 HD3 PHE 22 -17.413 16.913 3.533 86 HD2 PHE 22 HD2 PHE 22 -13.793 17.754 5.605 87 HE1 PHE 22 HE1 PHE 22 -18.445 18.911 4.513 88 HE2 PHE 22 HE2 PHE 22 -14.822 19.749 6.589 89 HZ PHE 22 HZ PHE 22 -17.150 20.333 6.044 90 H GLU 23 H GLU 23 -12.719 14.242 5.337 91 HA GLU 23 HA GLU 23 -11.308 14.611 7.019 92 HB2 GLU 23 HB2 GLU 23 -12.551 16.858 7.119 93 HB3 GLU 23 HB3 GLU 23 -13.424 16.190 8.488 94 HG2 GLU 23 HG2 GLU 23 -11.591 17.575 9.237 95 HG3 GLU 23 HG3 GLU 23 -11.302 15.888 9.673 96 H VAL 24 H VAL 24 -13.749 12.646 7.058 97 HA VAL 24 HA VAL 24 -13.394 11.761 9.831 98 HB VAL 24 HB VAL 24 -15.314 10.710 7.719 99 HG11 VAL 24 HG11 VAL 24 -15.156 10.131 10.671 100 HG12 VAL 24 HG12 VAL 24 -14.764 9.013 9.363 101 HG13 VAL 24 HG13 VAL 24 -16.423 9.567 9.584 102 HG21 VAL 24 HG21 VAL 24 -15.952 12.953 8.310 103 HG22 VAL 24 HG22 VAL 24 -15.795 12.588 10.026 104 HG23 VAL 24 HG23 VAL 24 -17.073 11.826 9.076 105 H LYS 25 H LYS 25 -11.291 11.003 9.641 106 HA LYS 25 HA LYS 25 -11.097 8.403 8.407 107 HB2 LYS 25 HB2 LYS 25 -9.037 8.902 7.180 108 HB3 LYS 25 HB3 LYS 25 -10.351 9.915 6.608 109 HG2 LYS 25 HG2 LYS 25 -9.455 11.793 7.934 110 HG3 LYS 25 HG3 LYS 25 -8.131 10.756 8.465 111 HD2 LYS 25 HD2 LYS 25 -7.442 10.468 6.112 112 HD3 LYS 25 HD3 LYS 25 -8.734 11.562 5.617 113 HE2 LYS 25 HE2 LYS 25 -6.471 12.306 7.482 114 HE3 LYS 25 HE1 LYS 25 -6.500 12.651 5.756 115 HZ1 LYS 25 HZ1 LYS 25 -8.405 13.730 7.790 116 HZ2 LYS 25 HZ2 LYS 25 -8.525 13.980 6.133 117 HZ3 LYS 25 HZ3 LYS 25 -7.196 14.574 6.974 118 H LYS 26 H LYS 26 -9.480 7.127 9.337 119 HA LYS 26 HA LYS 26 -8.262 8.320 11.719 120 HB2 LYS 26 HB2 LYS 26 -8.082 6.024 12.629 121 HB3 LYS 26 HB3 LYS 26 -9.743 6.491 12.306 122 HG2 LYS 26 HG2 LYS 26 -9.662 5.207 10.212 123 HG3 LYS 26 HG3 LYS 26 -8.017 4.708 10.616 124 HD2 LYS 26 HD2 LYS 26 -8.848 3.631 12.649 125 HD3 LYS 26 HD3 LYS 26 -10.487 4.151 12.260 126 HE2 LYS 26 HE2 LYS 26 -8.758 2.302 10.626 127 HE3 LYS 26 HE1 LYS 26 -10.145 1.826 11.609 128 HZ1 LYS 26 HZ1 LYS 26 -11.508 3.340 10.118 129 HZ2 LYS 26 HZ2 LYS 26 -10.866 2.004 9.313 130 HZ3 LYS 26 HZ3 LYS 26 -10.155 3.490 9.142 131 H SER 27 H SER 27 -6.150 8.439 11.916 132 HA SER 27 HA SER 27 -4.475 6.968 9.996 133 HB2 SER 27 HB2 SER 27 -3.962 9.797 10.938 134 HB3 SER 27 HB3 SER 27 -3.098 8.916 9.675 135 HG SER 27 HG SER 27 -5.671 10.015 9.686 136 H ASN 28 H ASN 28 -4.610 5.581 12.057 137 HA ASN 28 HA ASN 28 -3.216 6.384 14.379 138 HB2 ASN 28 HB2 ASN 28 -3.842 3.632 13.290 139 HB3 ASN 28 HB3 ASN 28 -3.078 3.901 14.850 140 HD21 ASN 28 HD21 ASN 28 -4.290 4.907 16.510 141 HD22 ASN 28 HD22 ASN 28 -6.006 4.903 16.478 142 H ALA 29 H ALA 29 -2.295 4.715 11.451 143 HA ALA 29 HA ALA 29 0.416 4.302 12.242 144 HB1 ALA 29 HB1 ALA 29 0.781 3.553 9.976 145 HB2 ALA 29 HB2 ALA 29 -0.762 4.232 9.473 146 HB3 ALA 29 HB3 ALA 29 -0.727 2.857 10.585 147 H SER 30 H SER 30 2.055 5.598 12.045 148 HA SER 30 HA SER 30 1.943 7.872 10.181 149 HB2 SER 30 HB2 SER 30 1.635 8.703 12.498 150 HB3 SER 30 HB3 SER 30 3.136 7.912 12.976 151 HG SER 30 HG SER 30 3.241 9.647 10.808 152 H ALA 31 H ALA 31 3.606 5.179 11.576 153 HA ALA 31 HA ALA 31 5.714 5.462 9.629 154 HB1 ALA 31 HB1 ALA 31 7.443 4.992 11.311 155 HB2 ALA 31 HB2 ALA 31 6.223 5.119 12.584 156 HB3 ALA 31 HB3 ALA 31 6.642 6.535 11.626 157 H GLN 32 H GLN 32 6.581 3.457 9.059 158 HA GLN 32 HA GLN 32 5.794 1.122 10.538 159 HB2 GLN 32 HB2 GLN 32 4.758 -0.010 8.647 160 HB3 GLN 32 HB3 GLN 32 3.862 1.440 9.075 161 HG2 GLN 32 HG2 GLN 32 4.958 2.609 7.185 162 HG3 GLN 32 HG3 GLN 32 5.745 1.101 6.742 163 HE21 GLN 32 HE21 GLN 32 4.757 0.929 4.791 164 HE22 GLN 32 HE22 GLN 32 3.056 0.585 4.615 165 H SER 33 H SER 33 6.844 -0.835 9.704 166 HA SER 33 HA SER 33 9.559 -0.322 9.115 167 HB2 SER 33 HB2 SER 33 7.986 -2.895 9.172 168 HB3 SER 33 HB3 SER 33 9.746 -2.795 9.075 169 HG SER 33 HG SER 33 9.775 -1.751 11.021 170 H ALA 34 H ALA 34 10.748 -1.316 7.333 171 HA ALA 34 HA ALA 34 9.366 -0.861 4.811 172 HB1 ALA 34 HB1 ALA 34 11.648 -0.948 3.854 173 HB2 ALA 34 HB2 ALA 34 12.292 -1.270 5.467 174 HB3 ALA 34 HB3 ALA 34 11.501 0.262 5.124 175 H TRP 35 H TRP 35 8.507 -2.534 3.821 176 HA TRP 35 HA TRP 35 9.544 -5.202 4.413 177 HB2 TRP 35 HB2 TRP 35 6.755 -4.345 3.692 178 HB3 TRP 35 HB3 TRP 35 7.262 -6.026 3.686 179 HD1 TRP 35 HD TRP 35 8.232 -6.910 6.201 180 HE1 TRP 35 HE1 TRP 35 7.273 -6.372 8.524 181 HE3 TRP 35 HE3 TRP 35 5.616 -2.779 4.978 182 HZ2 TRP 35 HZ2 TRP 35 5.601 -4.420 9.684 183 HZ3 TRP 35 HZ3 TRP 35 4.318 -1.591 6.759 184 HH2 TRP 35 HH TRP 35 4.328 -2.414 9.057 185 H ASP 36 H ASP 36 8.704 -6.778 2.558 186 HA ASP 36 HA ASP 36 8.871 -5.513 -0.057 187 HB2 ASP 36 HB2 ASP 36 11.100 -6.381 0.381 188 HB3 ASP 36 HB3 ASP 36 10.421 -7.975 0.734 189 H ILE 37 H ILE 37 7.048 -5.947 -0.958 190 HA ILE 37 HA ILE 37 5.820 -8.602 -0.668 191 HB ILE 37 HB ILE 37 3.595 -7.590 -0.659 192 HG12 ILE 37 HG12 ILE 37 4.948 -4.897 -0.373 193 HG13 ILE 37 HG11 ILE 37 4.299 -5.516 -1.887 194 HG21 ILE 37 HG21 ILE 37 5.389 -6.545 1.527 195 HG22 ILE 37 HG22 ILE 37 4.533 -8.086 1.511 196 HG23 ILE 37 HG23 ILE 37 3.630 -6.572 1.608 197 HD11 ILE 37 HD11 ILE 37 2.727 -4.983 0.621 198 HD12 ILE 37 HD31 ILE 37 2.753 -4.004 -0.863 199 HD13 ILE 37 HD21 ILE 37 2.115 -5.646 -0.906 200 H VAL 38 H VAL 38 4.103 -8.871 -2.423 201 HA VAL 38 HA VAL 38 5.200 -8.218 -4.942 202 HB VAL 38 HB VAL 38 2.343 -9.053 -4.333 203 HG11 VAL 38 HG11 VAL 38 2.516 -8.084 -6.539 204 HG12 VAL 38 HG12 VAL 38 2.274 -9.827 -6.681 205 HG13 VAL 38 HG13 VAL 38 3.875 -9.134 -6.930 206 HG21 VAL 38 HG21 VAL 38 4.734 -10.750 -5.059 207 HG22 VAL 38 HG22 VAL 38 3.080 -11.331 -4.949 208 HG23 VAL 38 HG23 VAL 38 3.898 -10.722 -3.504 209 H VAL 39 H VAL 39 4.745 -6.558 -6.308 210 HA VAL 39 HA VAL 39 4.044 -4.209 -4.803 211 HB VAL 39 HB VAL 39 5.012 -4.172 -7.654 212 HG11 VAL 39 HG11 VAL 39 5.437 -2.352 -5.298 213 HG12 VAL 39 HG12 VAL 39 4.380 -2.061 -6.679 214 HG13 VAL 39 HG13 VAL 39 6.130 -2.132 -6.902 215 HG21 VAL 39 HG21 VAL 39 6.456 -5.753 -6.487 216 HG22 VAL 39 HG22 VAL 39 6.720 -4.594 -5.193 217 HG23 VAL 39 HG23 VAL 39 7.330 -4.259 -6.816 218 H ASP 40 H ASP 40 1.908 -6.078 -5.947 219 HA ASP 40 HA ASP 40 0.445 -4.045 -7.444 220 HB2 ASP 40 HB2 ASP 40 -1.163 -5.702 -8.015 221 HB3 ASP 40 HB3 ASP 40 0.430 -6.299 -8.450 222 H ASN 41 H ASN 41 1.020 -4.711 -4.398 223 HA ASN 41 HA ASN 41 -1.594 -3.659 -3.658 224 HB2 ASN 41 HB2 ASN 41 0.122 -5.612 -2.180 225 HB3 ASN 41 HB3 ASN 41 -1.002 -4.580 -1.300 226 HD21 ASN 41 HD21 ASN 41 -3.227 -4.907 -1.590 227 HD22 ASN 41 HD22 ASN 41 -3.856 -6.362 -2.296 228 H CYS 42 H CYS 42 -1.640 -1.870 -2.538 229 HA CYS 42 HA CYS 42 0.764 -0.285 -2.246 230 HB2 CYS 42 HB2 CYS 42 -1.685 0.529 -2.700 231 HB3 CYS 42 HB3 CYS 42 -1.913 0.246 -1.011 232 H ALA 43 H ALA 43 2.082 -0.776 -0.608 233 HA ALA 43 HA ALA 43 1.097 -2.147 1.817 234 HB1 ALA 43 HB1 ALA 43 3.406 -2.348 2.446 235 HB2 ALA 43 HB2 ALA 43 3.902 -1.199 1.203 236 HB3 ALA 43 HB3 ALA 43 3.271 -2.775 0.740 237 H ILE 44 H ILE 44 1.438 0.991 0.786 238 HA ILE 44 HA ILE 44 2.294 2.167 3.216 239 HB ILE 44 HB ILE 44 0.790 3.392 0.890 240 HG12 ILE 44 HG12 ILE 44 3.772 3.091 1.415 241 HG13 ILE 44 HG11 ILE 44 2.823 2.255 0.245 242 HG21 ILE 44 HG21 ILE 44 2.492 4.632 3.087 243 HG22 ILE 44 HG22 ILE 44 0.740 4.786 2.925 244 HG23 ILE 44 HG23 ILE 44 1.803 5.498 1.715 245 HD11 ILE 44 HD11 ILE 44 3.175 5.223 0.220 246 HD12 ILE 44 HD31 ILE 44 4.103 4.083 -0.755 247 HD13 ILE 44 HD21 ILE 44 2.360 4.234 -0.995 248 H CYS 45 H CYS 45 -0.836 1.627 1.674 249 HA CYS 45 HA CYS 45 -2.187 2.326 4.180 250 HB2 CYS 45 HB2 CYS 45 -4.223 2.411 2.785 251 HB3 CYS 45 HB3 CYS 45 -2.980 3.517 2.208 252 H ARG 46 H ARG 46 -1.231 -0.208 2.122 253 HA ARG 46 HA ARG 46 -1.306 -2.406 2.218 254 HB2 ARG 46 HB2 ARG 46 -2.838 -1.896 4.710 255 HB3 ARG 46 HB3 ARG 46 -2.491 -3.551 4.167 256 HG2 ARG 46 HG2 ARG 46 -0.085 -3.023 4.311 257 HG3 ARG 46 HG3 ARG 46 -0.484 -1.402 4.889 258 HD2 ARG 46 HD2 ARG 46 -1.666 -2.412 6.794 259 HD3 ARG 46 HD3 ARG 46 -1.178 -3.996 6.166 260 HE ARG 46 HE ARG 46 0.951 -3.662 6.968 261 HH11 ARG 46 HH11 ARG 46 -0.898 -0.618 7.311 262 HH12 ARG 46 HH12 ARG 46 0.306 0.062 8.323 263 HH21 ARG 46 HH21 ARG 46 2.476 -2.670 8.344 264 HH22 ARG 46 HH22 ARG 46 2.178 -1.055 8.912 265 H ASN 47 H ASN 47 -3.210 -0.717 0.836 266 HA ASN 47 HA ASN 47 -5.459 -2.575 0.569 267 HB2 ASN 47 HB2 ASN 47 -5.836 -0.050 0.827 268 HB3 ASN 47 HB3 ASN 47 -5.099 0.138 -0.758 269 HD21 ASN 47 HD21 ASN 47 -7.882 -0.898 1.023 270 HD22 ASN 47 HD22 ASN 47 -8.915 -1.090 -0.359 271 H HIS 48 H HIS 48 -5.998 -2.216 -2.151 272 HA HIS 48 HA HIS 48 -3.752 -3.659 -3.288 273 HB2 HIS 48 HB2 HIS 48 -6.360 -4.158 -3.503 274 HB3 HIS 48 HB3 HIS 48 -6.224 -3.022 -4.847 275 HD2 HIS 48 HD2 HIS 48 -4.681 -3.894 -6.948 276 HE1 HIS 48 HE1 HIS 48 -4.338 -7.905 -5.598 277 HE2 HIS 48 HE2 HIS 48 -4.212 -6.433 -7.582 278 H ILE 49 H ILE 49 -3.210 -3.017 -5.683 279 HA ILE 49 HA ILE 49 -1.971 -0.519 -5.524 280 HB ILE 49 HB ILE 49 -0.986 -2.240 -6.872 281 HG12 ILE 49 HG12 ILE 49 -0.626 -1.012 -9.040 282 HG13 ILE 49 HG11 ILE 49 -1.956 0.019 -8.591 283 HG21 ILE 49 HG21 ILE 49 -1.974 -2.969 -9.029 284 HG22 ILE 49 HG22 ILE 49 -3.474 -2.140 -8.571 285 HG23 ILE 49 HG23 ILE 49 -2.867 -3.487 -7.606 286 HD11 ILE 49 HD11 ILE 49 0.509 -0.299 -6.958 287 HD12 ILE 49 HD31 ILE 49 0.190 1.039 -8.091 288 HD13 ILE 49 HD21 ILE 49 -0.874 0.813 -6.702 289 H MET 50 H MET 50 -4.954 -1.360 -7.314 290 HA MET 50 HA MET 50 -5.174 1.470 -7.620 291 HB2 MET 50 HB2 MET 50 -4.203 0.847 -9.589 292 HB3 MET 50 HB3 MET 50 -5.211 -0.516 -9.906 293 HG2 MET 50 HG2 MET 50 -7.100 1.102 -10.300 294 HG3 MET 50 HG3 MET 50 -5.962 2.408 -9.989 295 HE1 MET 50 HE1 MET 50 -6.780 -0.647 -12.320 296 HE2 MET 50 HE2 MET 50 -5.091 -0.951 -11.920 297 HE3 MET 50 HE3 MET 50 -5.545 -0.486 -13.563 298 H ASP 51 H ASP 51 -6.620 1.385 -6.004 299 HA ASP 51 HA ASP 51 -9.392 1.040 -6.690 300 HB2 ASP 51 HB2 ASP 51 -8.622 -1.255 -5.789 301 HB3 ASP 51 HB3 ASP 51 -8.273 -0.446 -4.272 302 H LEU 52 H LEU 52 -10.480 1.538 -4.261 303 HA LEU 52 HA LEU 52 -9.569 4.134 -3.505 304 HB2 LEU 52 HB2 LEU 52 -11.570 2.203 -2.449 305 HB3 LEU 52 HB3 LEU 52 -11.286 3.748 -1.663 306 HG LEU 52 HG LEU 52 -12.198 3.478 -4.541 307 HD11 LEU 52 HD11 LEU 52 -14.413 3.610 -3.832 308 HD12 LEU 52 HD12 LEU 52 -13.958 4.370 -2.334 309 HD13 LEU 52 HD13 LEU 52 -13.733 2.625 -2.515 310 HD21 LEU 52 HD21 LEU 52 -11.097 5.586 -3.989 311 HD22 LEU 52 HD22 LEU 52 -12.110 5.721 -2.552 312 HD23 LEU 52 HD23 LEU 52 -12.847 5.848 -4.147 313 H CYS 53 H CYS 53 -8.418 4.676 -1.647 314 HA CYS 53 HA CYS 53 -6.720 2.691 -0.485 315 HB2 CYS 53 HB2 CYS 53 -7.155 5.489 0.558 316 HB3 CYS 53 HB3 CYS 53 -5.719 4.485 0.699 317 H ILE 54 H ILE 54 -6.456 2.994 2.023 318 HA ILE 54 HA ILE 54 -8.098 1.506 3.509 319 HB ILE 54 HB ILE 54 -7.468 3.188 5.448 320 HG12 ILE 54 HG12 ILE 54 -5.612 4.017 3.196 321 HG13 ILE 54 HG11 ILE 54 -6.757 5.034 3.952 322 HG21 ILE 54 HG21 ILE 54 -5.535 1.429 3.992 323 HG22 ILE 54 HG22 ILE 54 -6.605 1.006 5.356 324 HG23 ILE 54 HG23 ILE 54 -5.287 2.163 5.579 325 HD11 ILE 54 HD11 ILE 54 -4.374 3.852 5.331 326 HD12 ILE 54 HD31 ILE 54 -4.584 5.526 4.783 327 HD13 ILE 54 HD21 ILE 54 -5.614 4.880 6.073 328 H GLU 55 H GLU 55 -8.231 4.856 4.399 329 HA GLU 55 HA GLU 55 -10.883 4.757 5.327 330 HB2 GLU 55 HB2 GLU 55 -9.076 7.094 4.778 331 HB3 GLU 55 HB3 GLU 55 -10.494 7.093 5.789 332 HG2 GLU 55 HG2 GLU 55 -8.122 5.353 6.303 333 HG3 GLU 55 HG3 GLU 55 -8.324 6.868 7.132 334 H CYS 56 H CYS 56 -9.357 5.498 2.335 335 HA CYS 56 HA CYS 56 -11.153 7.429 1.379 336 HB2 CYS 56 HB2 CYS 56 -9.433 5.498 -0.161 337 HB3 CYS 56 HB3 CYS 56 -10.281 6.854 -0.885 338 H GLN 57 H GLN 57 -11.149 3.904 0.955 339 HA GLN 57 HA GLN 57 -13.459 3.836 -0.633 340 HB2 GLN 57 HB2 GLN 57 -13.676 1.469 0.102 341 HB3 GLN 57 HB3 GLN 57 -12.110 1.878 -0.608 342 HG2 GLN 57 HG2 GLN 57 -11.186 2.036 1.595 343 HG3 GLN 57 HG3 GLN 57 -12.739 1.579 2.311 344 HE21 GLN 57 HE21 GLN 57 -10.165 0.244 2.499 345 HE22 GLN 57 HE22 GLN 57 -10.375 -1.351 1.871 346 H ALA 58 H ALA 58 -13.027 3.849 2.774 347 HA ALA 58 HA ALA 58 -15.775 3.491 3.424 348 HB1 ALA 58 HB1 ALA 58 -15.178 4.256 5.672 349 HB2 ALA 58 HB2 ALA 58 -13.624 4.832 5.076 350 HB3 ALA 58 HB3 ALA 58 -13.984 3.107 5.071 351 H ASN 59 H ASN 59 -13.695 6.390 3.070 352 HA ASN 59 HA ASN 59 -15.600 8.307 3.750 353 HB2 ASN 59 HB2 ASN 59 -13.062 8.339 2.176 354 HB3 ASN 59 HB3 ASN 59 -14.058 9.773 2.279 355 HD21 ASN 59 HD21 ASN 59 -13.776 7.517 4.942 356 HD22 ASN 59 HD22 ASN 59 -12.847 8.574 5.942 357 H GLN 60 H GLN 60 -14.744 6.839 0.669 358 HA GLN 60 HA GLN 60 -15.239 7.299 -1.471 359 HB2 GLN 60 HB2 GLN 60 -17.976 7.647 -0.258 360 HB3 GLN 60 HB3 GLN 60 -17.705 7.566 -1.998 361 HG2 GLN 60 HG2 GLN 60 -16.750 5.289 -1.648 362 HG3 GLN 60 HG3 GLN 60 -17.197 5.418 0.052 363 HE21 GLN 60 HE21 GLN 60 -19.642 6.929 -0.716 364 HE22 GLN 60 HE22 GLN 60 -20.768 5.758 -1.287 365 H ALA 61 H ALA 61 -13.957 9.089 -1.635 366 HA ALA 61 HA ALA 61 -15.006 11.720 -1.061 367 HB1 ALA 61 HB1 ALA 61 -12.801 12.508 -1.815 368 HB2 ALA 61 HB2 ALA 61 -12.386 10.864 -2.297 369 HB3 ALA 61 HB3 ALA 61 -12.658 11.240 -0.596 370 H SER 62 H SER 62 -14.728 13.472 -2.810 371 HA SER 62 HA SER 62 -16.083 12.543 -5.166 372 HB2 SER 62 HB2 SER 62 -16.653 14.738 -4.024 373 HB3 SER 62 HB3 SER 62 -15.094 15.352 -4.577 374 HG SER 62 HG SER 62 -16.056 15.806 -6.375 375 H ALA 63 H ALA 63 -14.517 11.192 -5.966 376 HA ALA 63 HA ALA 63 -12.674 12.291 -7.799 377 HB1 ALA 63 HB1 ALA 63 -10.687 11.136 -6.803 378 HB2 ALA 63 HB2 ALA 63 -11.636 10.843 -5.343 379 HB3 ALA 63 HB3 ALA 63 -11.253 12.495 -5.834 380 H THR 64 H THR 64 -11.436 10.229 -8.717 381 HA THR 64 HA THR 64 -13.400 8.373 -9.487 382 HB THR 64 HB THR 64 -10.389 8.032 -9.630 383 HG1 THR 64 HG3 THR 64 -10.413 9.555 -11.098 384 HG21 THR 64 HG21 THR 64 -12.608 6.954 -11.394 385 HG22 THR 64 HG22 THR 64 -11.756 6.031 -10.163 386 HG23 THR 64 HG23 THR 64 -10.878 6.640 -11.570 387 H SER 65 H SER 65 -14.000 6.432 -8.642 388 HA SER 65 HA SER 65 -12.730 5.653 -6.099 389 HB2 SER 65 HB2 SER 65 -15.451 4.867 -7.147 390 HB3 SER 65 HB3 SER 65 -14.841 4.700 -5.496 391 HG SER 65 HG SER 65 -14.609 7.214 -6.394 392 H GLU 66 H GLU 66 -13.251 4.694 -9.323 393 HA GLU 66 HA GLU 66 -12.801 1.913 -9.205 394 HB2 GLU 66 HB2 GLU 66 -13.300 3.708 -11.164 395 HB3 GLU 66 HB3 GLU 66 -11.565 3.555 -11.371 396 HG2 GLU 66 HG2 GLU 66 -13.515 1.262 -11.466 397 HG3 GLU 66 HG3 GLU 66 -12.907 2.120 -12.875 398 H GLU 67 H GLU 67 -10.784 4.740 -9.092 399 HA GLU 67 HA GLU 67 -8.577 3.357 -7.913 400 HB2 GLU 67 HB2 GLU 67 -6.981 4.461 -9.479 401 HB3 GLU 67 HB3 GLU 67 -7.979 3.254 -10.272 402 HG2 GLU 67 HG2 GLU 67 -9.394 4.999 -11.199 403 HG3 GLU 67 HG3 GLU 67 -8.455 6.230 -10.358 404 H CYS 68 H CYS 68 -8.353 4.584 -6.134 405 HA CYS 68 HA CYS 68 -9.264 7.205 -5.748 406 HB2 CYS 68 HB2 CYS 68 -8.545 5.820 -3.856 407 HB3 CYS 68 HB3 CYS 68 -6.899 5.791 -4.445 408 H THR 69 H THR 69 -5.809 6.638 -5.703 409 HA THR 69 HA THR 69 -5.340 7.959 -8.199 410 HB THR 69 HB THR 69 -3.546 9.393 -7.131 411 HG1 THR 69 HG3 THR 69 -5.179 9.035 -4.861 412 HG21 THR 69 HG21 THR 69 -6.407 10.105 -6.497 413 HG22 THR 69 HG22 THR 69 -5.545 10.466 -7.994 414 HG23 THR 69 HG23 THR 69 -5.065 11.246 -6.481 415 H VAL 70 H VAL 70 -3.423 7.099 -9.126 416 HA VAL 70 HA VAL 70 -1.766 5.416 -7.386 417 HB VAL 70 HB VAL 70 -3.431 3.956 -8.506 418 HG11 VAL 70 HG11 VAL 70 -2.159 4.878 -11.063 419 HG12 VAL 70 HG12 VAL 70 -3.793 5.253 -10.509 420 HG13 VAL 70 HG13 VAL 70 -3.347 3.580 -10.894 421 HG21 VAL 70 HG21 VAL 70 -0.619 3.571 -9.496 422 HG22 VAL 70 HG22 VAL 70 -1.869 2.331 -9.424 423 HG23 VAL 70 HG23 VAL 70 -1.253 3.047 -7.935 424 H ALA 71 H ALA 71 0.398 5.212 -7.938 425 HA ALA 71 HA ALA 71 1.304 6.672 -10.297 426 HB1 ALA 71 HB1 ALA 71 3.059 7.731 -8.960 427 HB2 ALA 71 HB2 ALA 71 2.370 7.020 -7.497 428 HB3 ALA 71 HB3 ALA 71 1.448 8.216 -8.421 429 H TRP 72 H TRP 72 3.053 5.815 -11.285 430 HA TRP 72 HA TRP 72 3.981 3.283 -10.239 431 HB2 TRP 72 HB2 TRP 72 4.599 4.585 -12.827 432 HB3 TRP 72 HB3 TRP 72 4.774 2.904 -12.462 433 HD1 TRP 72 HD TRP 72 2.723 4.747 -14.656 434 HE1 TRP 72 HE1 TRP 72 0.341 3.825 -14.959 435 HE3 TRP 72 HE3 TRP 72 2.484 1.786 -10.554 436 HZ2 TRP 72 HZ2 TRP 72 -1.423 2.088 -13.630 437 HZ3 TRP 72 HZ3 TRP 72 0.362 0.503 -10.129 438 HH2 TRP 72 HH TRP 72 -1.522 0.674 -11.647 439 H GLY 73 H GLY 73 6.127 3.004 -9.819 440 HA2 GLY 73 HA2 GLY 73 7.734 5.427 -9.551 441 HA3 GLY 73 HA3 GLY 73 7.940 3.910 -8.672 442 H VAL 74 H VAL 74 9.747 5.579 -10.423 443 HA VAL 74 HA VAL 74 10.274 4.193 -12.826 444 HB VAL 74 HB VAL 74 12.212 5.774 -11.117 445 HG11 VAL 74 HG11 VAL 74 13.349 4.414 -12.809 446 HG12 VAL 74 HG12 VAL 74 13.513 6.127 -13.164 447 HG13 VAL 74 HG13 VAL 74 12.372 5.147 -14.084 448 HG21 VAL 74 HG21 VAL 74 10.263 7.116 -11.697 449 HG22 VAL 74 HG22 VAL 74 10.465 6.695 -13.393 450 HG23 VAL 74 HG23 VAL 74 11.675 7.690 -12.589 451 H CYS 75 H CYS 75 10.994 3.614 -9.547 452 HA CYS 75 HA CYS 75 13.216 1.871 -9.819 453 HB2 CYS 75 HB2 CYS 75 12.691 1.491 -7.441 454 HB3 CYS 75 HB3 CYS 75 12.889 3.174 -7.869 455 H ASN 76 H ASN 76 10.439 1.360 -11.162 456 HA ASN 76 HA ASN 76 9.204 -0.410 -11.834 457 HB2 ASN 76 HB2 ASN 76 11.462 -1.467 -12.056 458 HB3 ASN 76 HB3 ASN 76 11.294 -2.077 -10.416 459 HD21 ASN 76 HD21 ASN 76 11.507 -4.195 -11.208 460 HD22 ASN 76 HD22 ASN 76 10.188 -5.000 -12.011 461 H HIS 77 H HIS 77 8.584 0.977 -9.575 462 HA HIS 77 HA HIS 77 7.271 -1.080 -7.990 463 HB2 HIS 77 HB2 HIS 77 8.628 1.399 -7.103 464 HB3 HIS 77 HB3 HIS 77 7.225 0.843 -6.174 465 HD2 HIS 77 HD2 HIS 77 8.173 -2.412 -6.474 466 HE1 HIS 77 HE1 HIS 77 11.388 -1.052 -4.085 467 HE2 HIS 77 HE2 HIS 77 9.948 -3.019 -4.716 468 H ALA 78 H ALA 78 5.195 -0.302 -6.930 469 HA ALA 78 HA ALA 78 3.890 1.822 -8.395 470 HB1 ALA 78 HB1 ALA 78 2.019 0.366 -8.939 471 HB2 ALA 78 HB2 ALA 78 2.849 -1.007 -8.228 472 HB3 ALA 78 HB3 ALA 78 3.499 -0.245 -9.683 473 H PHE 79 H PHE 79 2.649 2.984 -6.982 474 HA PHE 79 HA PHE 79 1.501 1.661 -4.652 475 HB2 PHE 79 HB2 PHE 79 3.203 4.147 -4.511 476 HB3 PHE 79 HB3 PHE 79 2.259 3.516 -3.173 477 HD1 PHE 79 HD2 PHE 79 2.982 1.275 -2.152 478 HD2 PHE 79 HD3 PHE 79 5.320 3.320 -5.067 479 HE1 PHE 79 HE2 PHE 79 4.980 -0.121 -1.575 480 HE2 PHE 79 HE1 PHE 79 7.265 1.947 -4.475 481 HZ PHE 79 HZ PHE 79 7.085 0.245 -2.748 482 H HIS 80 H HIS 80 -0.074 3.261 -3.546 483 HA HIS 80 HA HIS 80 -1.635 4.562 -5.530 484 HB2 HIS 80 HB2 HIS 80 -1.657 4.453 -2.539 485 HB3 HIS 80 HB3 HIS 80 -2.579 5.673 -3.363 486 HD2 HIS 80 HD2 HIS 80 -3.928 3.724 -5.699 487 HE1 HIS 80 HE1 HIS 80 -5.574 1.739 -2.358 488 HE2 HIS 80 HE2 HIS 80 -6.003 2.676 -4.541 489 H PHE 81 H PHE 81 -1.532 6.657 -6.123 490 HA PHE 81 HA PHE 81 0.767 8.185 -5.572 491 HB2 PHE 81 HB2 PHE 81 -0.577 8.526 -7.605 492 HB3 PHE 81 HB3 PHE 81 -1.911 9.045 -6.588 493 HD1 PHE 81 HD3 PHE 81 1.619 9.937 -7.412 494 HD2 PHE 81 HD2 PHE 81 -2.231 11.319 -6.230 495 HE1 PHE 81 HE1 PHE 81 2.395 12.253 -7.611 496 HE2 PHE 81 HE2 PHE 81 -1.455 13.646 -6.423 497 HZ PHE 81 HZ PHE 81 0.861 14.114 -7.115 498 H HIS 82 H HIS 82 -2.431 8.203 -4.214 499 HA HIS 82 HA HIS 82 -2.183 10.396 -2.460 500 HB2 HIS 82 HB2 HIS 82 -4.314 9.281 -2.925 501 HB3 HIS 82 HB3 HIS 82 -3.731 7.820 -2.146 502 HD2 HIS 82 HD2 HIS 82 -2.948 10.879 -0.016 503 HE1 HIS 82 HE1 HIS 82 -6.552 9.249 1.494 504 HE2 HIS 82 HE2 HIS 82 -4.517 10.563 2.030 505 H CYS 83 H CYS 83 -1.510 6.933 -1.926 506 HA CYS 83 HA CYS 83 -0.744 7.331 0.750 507 HB2 CYS 83 HB2 CYS 83 -0.176 4.916 -1.000 508 HB3 CYS 83 HB3 CYS 83 -0.162 5.067 0.743 509 H ILE 84 H ILE 84 1.082 6.868 -2.278 510 HA ILE 84 HA ILE 84 3.566 6.850 -0.976 511 HB ILE 84 HB ILE 84 3.223 6.023 -3.348 512 HG12 ILE 84 HG12 ILE 84 5.382 6.944 -4.228 513 HG13 ILE 84 HG11 ILE 84 5.407 8.034 -2.863 514 HG21 ILE 84 HG21 ILE 84 3.238 7.551 -5.183 515 HG22 ILE 84 HG22 ILE 84 3.365 8.931 -4.072 516 HG23 ILE 84 HG23 ILE 84 1.903 7.924 -4.078 517 HD11 ILE 84 HD11 ILE 84 5.503 5.032 -2.737 518 HD12 ILE 84 HD31 ILE 84 6.823 6.151 -2.401 519 HD13 ILE 84 HD21 ILE 84 5.418 6.095 -1.334 520 H SER 85 H SER 85 1.565 9.449 -2.165 521 HA SER 85 HA SER 85 3.377 11.597 -1.877 522 HB2 SER 85 HB2 SER 85 1.111 11.718 -2.922 523 HB3 SER 85 HB3 SER 85 0.407 11.598 -1.334 524 HG SER 85 HG SER 85 0.963 13.792 -2.452 525 H ARG 86 H ARG 86 1.142 10.127 0.390 526 HA ARG 86 HA ARG 86 1.640 11.682 2.699 527 HB2 ARG 86 HB2 ARG 86 1.011 8.721 2.439 528 HB3 ARG 86 HB3 ARG 86 0.981 9.581 3.959 529 HG2 ARG 86 HG2 ARG 86 -0.761 10.266 1.606 530 HG3 ARG 86 HG3 ARG 86 -1.228 9.154 2.886 531 HD2 ARG 86 HD2 ARG 86 -0.420 12.019 3.357 532 HD3 ARG 86 HD3 ARG 86 -2.089 11.479 3.169 533 HE ARG 86 HE ARG 86 -0.805 9.948 5.146 534 HH11 ARG 86 HH11 ARG 86 -2.172 13.170 4.611 535 HH12 ARG 86 HH12 ARG 86 -2.475 13.474 6.262 536 HH21 ARG 86 HH21 ARG 86 -1.234 10.351 7.425 537 HH22 ARG 86 HH22 ARG 86 -1.896 11.840 7.904 538 H TRP 87 H TRP 87 3.110 8.781 1.395 539 HA TRP 87 HA TRP 87 4.938 8.149 3.447 540 HB2 TRP 87 HB2 TRP 87 4.250 6.521 1.777 541 HB3 TRP 87 HB3 TRP 87 4.912 7.531 0.502 542 HD1 TRP 87 HD TRP 87 7.331 7.092 -0.194 543 HE1 TRP 87 HE1 TRP 87 9.244 5.670 0.777 544 HE3 TRP 87 HE3 TRP 87 5.154 5.678 4.176 545 HZ2 TRP 87 HZ2 TRP 87 9.768 4.145 3.088 546 HZ3 TRP 87 HZ3 TRP 87 6.423 4.223 5.741 547 HH2 TRP 87 HH TRP 87 8.684 3.478 5.195 548 H LEU 88 H LEU 88 5.307 9.896 0.439 549 HA LEU 88 HA LEU 88 8.068 10.306 0.707 550 HB2 LEU 88 HB2 LEU 88 5.983 11.607 -0.989 551 HB3 LEU 88 HB3 LEU 88 7.693 11.957 -1.159 552 HG LEU 88 HG LEU 88 6.535 9.199 -1.397 553 HD11 LEU 88 HD11 LEU 88 7.245 11.170 -3.549 554 HD12 LEU 88 HD12 LEU 88 5.631 10.526 -3.127 555 HD13 LEU 88 HD13 LEU 88 6.870 9.453 -3.764 556 HD21 LEU 88 HD21 LEU 88 8.898 9.263 -0.761 557 HD22 LEU 88 HD22 LEU 88 9.243 10.319 -2.130 558 HD23 LEU 88 HD23 LEU 88 8.691 8.674 -2.405 559 H LYS 89 H LYS 89 5.388 12.164 1.765 560 HA LYS 89 HA LYS 89 6.858 14.477 2.388 561 HB2 LYS 89 HB2 LYS 89 4.267 13.409 3.501 562 HB3 LYS 89 HB3 LYS 89 4.930 14.987 3.936 563 HG2 LYS 89 HG2 LYS 89 4.893 15.664 1.604 564 HG3 LYS 89 HG3 LYS 89 4.255 14.091 1.149 565 HD2 LYS 89 HD2 LYS 89 2.238 14.548 2.470 566 HD3 LYS 89 HD3 LYS 89 2.897 16.132 2.905 567 HE2 LYS 89 HE2 LYS 89 2.995 16.743 0.566 568 HE3 LYS 89 HE1 LYS 89 2.356 15.181 0.099 569 HZ1 LYS 89 HZ1 LYS 89 0.882 17.173 1.758 570 HZ2 LYS 89 HZ2 LYS 89 0.261 15.702 1.137 571 HZ3 LYS 89 HZ3 LYS 89 0.702 16.935 0.106 572 H THR 90 H THR 90 6.247 11.503 4.149 573 HA THR 90 HA THR 90 7.821 12.548 6.343 574 HB THR 90 HB THR 90 5.838 11.409 7.057 575 HG1 THR 90 HG3 THR 90 7.678 11.091 8.366 576 HG21 THR 90 HG21 THR 90 6.851 8.962 5.596 577 HG22 THR 90 HG22 THR 90 5.466 9.942 5.149 578 HG23 THR 90 HG23 THR 90 5.440 9.007 6.653 579 H ARG 91 H ARG 91 8.295 10.464 3.590 580 HA ARG 91 HA ARG 91 11.005 9.789 4.522 581 HB2 ARG 91 HB2 ARG 91 9.079 7.888 3.174 582 HB3 ARG 91 HB3 ARG 91 10.770 7.580 3.501 583 HG2 ARG 91 HG2 ARG 91 8.686 8.095 5.592 584 HG3 ARG 91 HG3 ARG 91 9.272 6.504 5.116 585 HD2 ARG 91 HD2 ARG 91 11.528 7.105 5.742 586 HD3 ARG 91 HD3 ARG 91 11.004 8.706 6.248 587 HE ARG 91 HE ARG 91 10.349 6.152 7.541 588 HH11 ARG 91 HH11 ARG 91 10.388 9.703 7.689 589 HH12 ARG 91 HH12 ARG 91 10.157 9.743 9.386 590 HH21 ARG 91 HH21 ARG 91 10.048 6.253 9.792 591 HH22 ARG 91 HH22 ARG 91 9.959 7.724 10.649 592 H GLN 92 H GLN 92 12.557 9.575 2.899 593 HA GLN 92 HA GLN 92 11.868 10.865 0.356 594 HB2 GLN 92 HB2 GLN 92 14.462 10.252 1.710 595 HB3 GLN 92 HB3 GLN 92 14.360 10.925 0.106 596 HG2 GLN 92 HG2 GLN 92 13.201 12.890 1.014 597 HG3 GLN 92 HG3 GLN 92 13.304 12.190 2.633 598 HE21 GLN 92 HE21 GLN 92 14.457 13.968 3.347 599 HE22 GLN 92 HE22 GLN 92 16.130 14.217 2.965 600 H VAL 93 H VAL 93 12.162 7.782 1.528 601 HA VAL 93 HA VAL 93 13.371 6.745 -0.958 602 HB VAL 93 HB VAL 93 14.284 4.879 0.442 603 HG11 VAL 93 HG11 VAL 93 16.147 6.142 1.332 604 HG12 VAL 93 HG12 VAL 93 15.202 7.636 1.252 605 HG13 VAL 93 HG13 VAL 93 15.666 6.797 -0.232 606 HG21 VAL 93 HG21 VAL 93 14.459 5.281 2.882 607 HG22 VAL 93 HG22 VAL 93 12.787 5.056 2.334 608 HG23 VAL 93 HG23 VAL 93 13.404 6.684 2.665 609 H CYS 94 H CYS 94 12.707 4.693 -1.649 610 HA CYS 94 HA CYS 94 10.028 4.054 -1.564 611 HB2 CYS 94 HB2 CYS 94 12.426 2.374 -1.929 612 HB3 CYS 94 HB3 CYS 94 10.820 1.748 -2.280 613 HA PRO 95 HA PRO 95 9.603 2.009 2.419 614 HB2 PRO 95 HB2 PRO 95 7.277 0.691 1.870 615 HB3 PRO 95 HB3 PRO 95 7.326 2.421 2.249 616 HG2 PRO 95 HG2 PRO 95 7.148 1.053 -0.396 617 HG3 PRO 95 HG3 PRO 95 6.287 2.491 0.177 618 HD2 PRO 95 HD2 PRO 95 8.459 2.612 -1.451 619 HD3 PRO 95 HD3 PRO 95 8.120 3.896 -0.299 620 H LEU 96 H LEU 96 9.804 0.539 -0.632 621 HA LEU 96 HA LEU 96 10.191 -2.140 0.540 622 HB2 LEU 96 HB2 LEU 96 9.900 -1.432 -2.387 623 HB3 LEU 96 HB3 LEU 96 9.864 -3.026 -1.695 624 HG LEU 96 HG LEU 96 7.789 -0.897 -1.372 625 HD11 LEU 96 HD11 LEU 96 7.742 -3.510 -2.857 626 HD12 LEU 96 HD12 LEU 96 7.861 -1.907 -3.566 627 HD13 LEU 96 HD13 LEU 96 6.384 -2.386 -2.713 628 HD21 LEU 96 HD21 LEU 96 7.844 -2.215 0.662 629 HD22 LEU 96 HD22 LEU 96 7.865 -3.707 -0.274 630 HD23 LEU 96 HD23 LEU 96 6.434 -2.683 -0.292 631 H ASP 97 H ASP 97 11.562 0.101 -1.822 632 HA ASP 97 HA ASP 97 13.992 -1.379 -2.262 633 HB2 ASP 97 HB2 ASP 97 12.944 1.222 -3.202 634 HB3 ASP 97 HB3 ASP 97 14.698 0.997 -3.290 635 H ASN 98 H ASN 98 13.074 1.215 -0.095 636 HA ASN 98 HA ASN 98 14.159 2.550 1.325 637 HB2 ASN 98 HB2 ASN 98 16.167 0.297 1.271 638 HB3 ASN 98 HB3 ASN 98 16.350 1.679 2.334 639 HD21 ASN 98 HD21 ASN 98 14.824 -1.338 1.825 640 HD22 ASN 98 HD22 ASN 98 13.889 -1.389 3.260 641 H ARG 99 H ARG 99 14.516 2.875 -1.508 642 HA ARG 99 HA ARG 99 17.057 4.380 -1.538 643 HB2 ARG 99 HB2 ARG 99 15.691 3.031 -3.876 644 HB3 ARG 99 HB3 ARG 99 17.148 4.004 -3.959 645 HG2 ARG 99 HG2 ARG 99 18.290 2.344 -2.549 646 HG3 ARG 99 HG3 ARG 99 16.784 1.405 -2.580 647 HD2 ARG 99 HD2 ARG 99 18.335 2.200 -5.047 648 HD3 ARG 99 HD3 ARG 99 18.464 0.619 -4.283 649 HE ARG 99 HE ARG 99 15.986 0.496 -4.687 650 HH11 ARG 99 HH11 ARG 99 18.237 2.181 -6.834 651 HH12 ARG 99 HH12 ARG 99 17.268 2.081 -8.216 652 HH21 ARG 99 HH21 ARG 99 14.594 0.328 -6.621 653 HH22 ARG 99 HH22 ARG 99 15.159 1.003 -8.090 654 H GLU 100 H GLU 100 16.867 6.394 -2.787 655 HA GLU 100 HA GLU 100 14.531 7.759 -2.173 656 HB2 GLU 100 HB2 GLU 100 16.619 8.466 -4.232 657 HB3 GLU 100 HB3 GLU 100 15.330 9.541 -3.732 658 HG2 GLU 100 HG2 GLU 100 17.150 10.241 -2.490 659 HG3 GLU 100 HG3 GLU 100 16.227 9.221 -1.377 660 H TRP 101 H TRP 101 12.694 8.063 -3.031 661 HA TRP 101 HA TRP 101 11.873 6.323 -5.158 662 HB2 TRP 101 HB2 TRP 101 10.344 6.409 -3.365 663 HB3 TRP 101 HB3 TRP 101 10.492 8.111 -3.194 664 HD1 TRP 101 HD TRP 101 9.050 9.667 -4.841 665 HE1 TRP 101 HE1 TRP 101 6.961 9.204 -6.267 666 HE3 TRP 101 HE3 TRP 101 9.183 4.620 -4.746 667 HZ2 TRP 101 HZ2 TRP 101 5.549 6.981 -7.218 668 HZ3 TRP 101 HZ3 TRP 101 7.407 3.359 -5.954 669 HH2 TRP 101 HH TRP 101 5.629 4.550 -7.155 670 H GLU 102 H GLU 102 11.189 6.850 -7.169 671 HA GLU 102 HA GLU 102 11.064 9.684 -7.951 672 HB2 GLU 102 HB2 GLU 102 12.388 7.415 -9.445 673 HB3 GLU 102 HB3 GLU 102 12.069 8.995 -10.143 674 HG2 GLU 102 HG2 GLU 102 13.516 10.033 -8.486 675 HG3 GLU 102 HG3 GLU 102 13.808 8.459 -7.749 676 H PHE 103 H PHE 103 9.474 10.182 -9.425 677 HA PHE 103 HA PHE 103 7.318 8.219 -9.664 678 HB2 PHE 103 HB2 PHE 103 7.495 11.157 -10.333 679 HB3 PHE 103 HB3 PHE 103 6.092 10.197 -10.724 680 HD1 PHE 103 HD2 PHE 103 4.747 9.245 -8.894 681 HD2 PHE 103 HD3 PHE 103 7.876 11.996 -8.225 682 HE1 PHE 103 HE2 PHE 103 3.798 9.752 -6.665 683 HE2 PHE 103 HE1 PHE 103 6.958 12.530 -5.984 684 HZ PHE 103 HZ PHE 103 4.907 11.399 -5.212 685 H GLN 104 H GLN 104 7.139 6.980 -11.402 686 HA GLN 104 HA GLN 104 8.587 7.592 -13.826 687 HB2 GLN 104 HB2 GLN 104 8.319 5.230 -12.931 688 HB3 GLN 104 HB3 GLN 104 6.620 5.384 -13.247 689 HG2 GLN 104 HG2 GLN 104 7.711 4.131 -15.016 690 HG3 GLN 104 HG3 GLN 104 7.019 5.638 -15.625 691 HE21 GLN 104 HE21 GLN 104 8.325 7.139 -16.529 692 HE22 GLN 104 HE22 GLN 104 10.028 6.954 -16.735 693 H LYS 105 H LYS 105 5.183 6.854 -13.092 694 HA LYS 105 HA LYS 105 4.233 9.033 -14.676 695 HB2 LYS 105 HB2 LYS 105 4.770 7.329 -16.377 696 HB3 LYS 105 HB3 LYS 105 3.743 6.174 -15.539 697 HG2 LYS 105 HG2 LYS 105 1.790 7.507 -16.058 698 HG3 LYS 105 HG3 LYS 105 2.802 8.752 -16.798 699 HD2 LYS 105 HD2 LYS 105 1.906 7.427 -18.564 700 HD3 LYS 105 HD3 LYS 105 3.613 7.017 -18.408 701 HE2 LYS 105 HE2 LYS 105 2.521 4.957 -18.673 702 HE3 LYS 105 HE1 LYS 105 2.821 5.056 -16.944 703 HZ1 LYS 105 HZ1 LYS 105 0.274 5.630 -18.349 704 HZ2 LYS 105 HZ2 LYS 105 0.470 5.845 -16.702 705 HZ3 LYS 105 HZ3 LYS 105 0.582 4.300 -17.378 706 H TYR 106 H TYR 106 2.043 9.478 -14.125 707 HA TYR 106 HA TYR 106 0.665 7.502 -12.528 708 HB2 TYR 106 HB2 TYR 106 0.134 9.125 -10.724 709 HB3 TYR 106 HB3 TYR 106 1.842 8.745 -10.809 710 HD1 TYR 106 HD3 TYR 106 3.452 10.433 -11.558 711 HD2 TYR 106 HD2 TYR 106 -0.690 11.337 -11.202 712 HE1 TYR 106 HE1 TYR 106 3.970 12.830 -11.648 713 HE2 TYR 106 HE2 TYR 106 -0.180 13.741 -11.291 714 HH TYR 106 HH TYR 106 2.640 14.908 -12.399 715 H GLY 107 H GLY 107 -1.600 8.002 -12.249 716 HA2 GLY 107 HA2 GLY 107 -2.518 9.539 -14.575 717 HA3 GLY 107 HA3 GLY 107 -3.381 8.186 -13.859 718 H HIS 108 H HIS 108 -3.435 11.406 -14.230 719 HA HIS 108 HA HIS 108 -4.601 11.983 -11.628 720 HB2 HIS 108 HB2 HIS 108 -4.686 14.364 -12.464 721 HB3 HIS 108 HB3 HIS 108 -3.070 13.678 -12.392 722 HD2 HIS 108 HD2 HIS 108 -5.473 15.258 -14.960 723 HE1 HIS 108 HE1 HIS 108 -2.076 13.808 -17.056 724 HE2 HIS 108 HE2 HIS 108 -4.309 14.956 -17.263 Start of MODEL 3 1 H1 GLY 9 H GLY 9 -24.081 -11.332 -1.068 2 HA2 GLY 9 HA2 GLY 9 -26.039 -9.426 -0.415 3 HA3 GLY 9 HA3 GLY 9 -25.309 -10.017 1.074 4 H GLY 10 H GLY 10 -23.959 -9.375 -2.142 5 HA2 GLY 10 HA2 GLY 10 -21.811 -7.852 -0.887 6 HA3 GLY 10 HA3 GLY 10 -21.914 -8.312 -2.584 7 H GLY 11 H GLY 11 -21.758 -5.676 -0.784 8 HA2 GLY 11 HA2 GLY 11 -24.022 -4.183 -1.557 9 HA3 GLY 11 HA3 GLY 11 -22.515 -3.527 -0.942 10 H GLY 12 H GLY 12 -20.789 -4.463 -2.977 11 HA2 GLY 12 HA2 GLY 12 -20.260 -4.098 -5.233 12 HA3 GLY 12 HA3 GLY 12 -21.830 -3.333 -5.454 13 H THR 13 H THR 13 -21.834 -1.189 -5.664 14 HA THR 13 HA THR 13 -19.477 0.245 -4.676 15 HB THR 13 HB THR 13 -19.372 0.140 -7.111 16 HG1 THR 13 HG3 THR 13 -18.968 2.239 -7.405 17 HG21 THR 13 HG21 THR 13 -22.090 1.469 -7.147 18 HG22 THR 13 HG22 THR 13 -21.772 -0.212 -7.567 19 HG23 THR 13 HG23 THR 13 -21.103 1.086 -8.556 20 H ASN 14 H ASN 14 -19.821 1.912 -3.344 21 HA ASN 14 HA ASN 14 -22.488 3.126 -3.271 22 HB2 ASN 14 HB2 ASN 14 -22.109 1.516 -1.346 23 HB3 ASN 14 HB3 ASN 14 -20.759 2.522 -0.855 24 HD21 ASN 14 HD21 ASN 14 -23.119 1.856 0.638 25 HD22 ASN 14 HD22 ASN 14 -23.910 3.350 1.015 26 H SER 15 H SER 15 -22.184 5.166 -3.924 27 HA SER 15 HA SER 15 -19.676 6.492 -3.210 28 HB2 SER 15 HB2 SER 15 -19.989 6.288 -5.592 29 HB3 SER 15 HB3 SER 15 -21.605 6.968 -5.488 30 HG SER 15 HG SER 15 -19.310 8.418 -4.641 31 H GLY 16 H GLY 16 -19.804 7.964 -1.664 32 HA2 GLY 16 HA2 GLY 16 -22.281 9.538 -1.372 33 HA3 GLY 16 HA3 GLY 16 -21.384 8.937 0.016 34 H ALA 17 H ALA 17 -21.155 11.021 -2.803 35 HA ALA 17 HA ALA 17 -18.663 12.200 -2.120 36 HB1 ALA 17 HB1 ALA 17 -19.145 13.788 -3.893 37 HB2 ALA 17 HB2 ALA 17 -20.829 13.271 -3.907 38 HB3 ALA 17 HB3 ALA 17 -19.559 12.148 -4.399 39 H GLY 18 H GLY 18 -21.708 12.592 -0.774 40 HA2 GLY 18 HA2 GLY 18 -21.625 15.353 -0.097 41 HA3 GLY 18 HA3 GLY 18 -22.619 14.120 0.659 42 H LYS 19 H LYS 19 -19.779 12.745 1.013 43 HA LYS 19 HA LYS 19 -19.247 14.048 3.556 44 HB2 LYS 19 HB2 LYS 19 -18.159 11.510 2.347 45 HB3 LYS 19 HB3 LYS 19 -17.633 12.171 3.889 46 HG2 LYS 19 HG2 LYS 19 -19.894 11.878 4.778 47 HG3 LYS 19 HG3 LYS 19 -20.423 11.240 3.216 48 HD2 LYS 19 HD2 LYS 19 -19.969 9.380 4.709 49 HD3 LYS 19 HD3 LYS 19 -18.758 9.423 3.431 50 HE2 LYS 19 HE2 LYS 19 -17.174 10.530 4.932 51 HE3 LYS 19 HE1 LYS 19 -18.406 10.566 6.192 52 HZ1 LYS 19 HZ1 LYS 19 -17.363 8.023 5.027 53 HZ2 LYS 19 HZ2 LYS 19 -18.160 8.229 6.528 54 HZ3 LYS 19 HZ3 LYS 19 -16.642 8.863 6.267 55 H LYS 20 H LYS 20 -17.847 15.656 3.562 56 HA LYS 20 HA LYS 20 -15.450 15.366 1.903 57 HB2 LYS 20 HB2 LYS 20 -17.176 17.143 1.146 58 HB3 LYS 20 HB3 LYS 20 -16.702 18.037 2.567 59 HG2 LYS 20 HG2 LYS 20 -14.763 17.239 0.402 60 HG3 LYS 20 HG3 LYS 20 -15.643 18.758 0.417 61 HD2 LYS 20 HD2 LYS 20 -14.607 19.365 2.533 62 HD3 LYS 20 HD3 LYS 20 -13.724 17.835 2.560 63 HE2 LYS 20 HE2 LYS 20 -12.289 19.622 1.752 64 HE3 LYS 20 HE1 LYS 20 -12.616 18.480 0.447 65 HZ1 LYS 20 HZ1 LYS 20 -14.069 21.025 0.871 66 HZ2 LYS 20 HZ2 LYS 20 -14.255 20.011 -0.458 67 HZ3 LYS 20 HZ3 LYS 20 -12.801 20.851 -0.229 68 H ARG 21 H ARG 21 -14.433 14.413 3.690 69 HA ARG 21 HA ARG 21 -12.993 16.228 5.215 70 HB2 ARG 21 HB2 ARG 21 -13.528 15.366 7.500 71 HB3 ARG 21 HB3 ARG 21 -14.830 16.294 6.797 72 HG2 ARG 21 HG2 ARG 21 -14.769 13.266 6.825 73 HG3 ARG 21 HG3 ARG 21 -15.446 14.238 8.125 74 HD2 ARG 21 HD2 ARG 21 -16.332 14.253 5.252 75 HD3 ARG 21 HD3 ARG 21 -17.212 13.514 6.594 76 HE ARG 21 HE ARG 21 -16.801 16.380 6.117 77 HH11 ARG 21 HH11 ARG 21 -18.564 13.812 7.891 78 HH12 ARG 21 HH12 ARG 21 -19.673 14.905 8.558 79 HH21 ARG 21 HH21 ARG 21 -18.385 17.826 7.057 80 HH22 ARG 21 HH22 ARG 21 -19.605 17.169 8.062 81 H PHE 22 H PHE 22 -11.471 14.983 6.754 82 HA PHE 22 HA PHE 22 -10.448 12.850 5.051 83 HB2 PHE 22 HB2 PHE 22 -9.136 14.448 7.261 84 HB3 PHE 22 HB3 PHE 22 -8.354 13.125 6.404 85 HD1 PHE 22 HD3 PHE 22 -7.834 13.330 4.015 86 HD2 PHE 22 HD2 PHE 22 -9.397 16.589 6.241 87 HE1 PHE 22 HE1 PHE 22 -7.128 14.875 2.236 88 HE2 PHE 22 HE2 PHE 22 -8.692 18.138 4.470 89 HZ PHE 22 HZ PHE 22 -7.557 17.281 2.466 90 H GLU 23 H GLU 23 -12.634 12.626 7.108 91 HA GLU 23 HA GLU 23 -13.487 11.018 8.493 92 HB2 GLU 23 HB2 GLU 23 -11.103 9.466 7.473 93 HB3 GLU 23 HB3 GLU 23 -12.318 8.771 8.531 94 HG2 GLU 23 HG2 GLU 23 -12.816 9.898 5.777 95 HG3 GLU 23 HG3 GLU 23 -12.648 8.197 6.184 96 H VAL 24 H VAL 24 -12.567 9.344 10.319 97 HA VAL 24 HA VAL 24 -10.545 10.801 11.858 98 HB VAL 24 HB VAL 24 -12.601 8.714 12.708 99 HG11 VAL 24 HG11 VAL 24 -10.556 10.115 14.418 100 HG12 VAL 24 HG12 VAL 24 -10.495 8.427 13.935 101 HG13 VAL 24 HG13 VAL 24 -11.798 8.997 14.987 102 HG21 VAL 24 HG21 VAL 24 -13.587 10.914 12.384 103 HG22 VAL 24 HG22 VAL 24 -12.340 11.635 13.402 104 HG23 VAL 24 HG23 VAL 24 -13.513 10.533 14.107 105 H LYS 25 H LYS 25 -8.609 9.793 12.064 106 HA LYS 25 HA LYS 25 -8.208 7.717 10.166 107 HB2 LYS 25 HB2 LYS 25 -6.211 9.171 11.890 108 HB3 LYS 25 HB3 LYS 25 -5.800 7.914 10.740 109 HG2 LYS 25 HG2 LYS 25 -6.731 9.201 8.910 110 HG3 LYS 25 HG3 LYS 25 -7.217 10.469 10.033 111 HD2 LYS 25 HD2 LYS 25 -4.920 10.940 10.560 112 HD3 LYS 25 HD3 LYS 25 -4.355 9.593 9.577 113 HE2 LYS 25 HE2 LYS 25 -4.069 11.642 8.339 114 HE3 LYS 25 HE1 LYS 25 -5.350 10.694 7.593 115 HZ1 LYS 25 HZ1 LYS 25 -5.709 13.044 9.377 116 HZ2 LYS 25 HZ2 LYS 25 -6.982 12.137 8.802 117 HZ3 LYS 25 HZ3 LYS 25 -5.987 13.000 7.722 118 H LYS 26 H LYS 26 -7.428 5.809 10.302 119 HA LYS 26 HA LYS 26 -7.915 4.305 12.776 120 HB2 LYS 26 HB2 LYS 26 -9.118 3.728 10.656 121 HB3 LYS 26 HB3 LYS 26 -7.584 3.461 9.886 122 HG2 LYS 26 HG2 LYS 26 -8.520 1.339 10.393 123 HG3 LYS 26 HG3 LYS 26 -7.164 1.588 11.494 124 HD2 LYS 26 HD2 LYS 26 -9.030 0.626 12.702 125 HD3 LYS 26 HD3 LYS 26 -8.773 2.286 13.239 126 HE2 LYS 26 HE2 LYS 26 -10.622 3.061 11.917 127 HE3 LYS 26 HE1 LYS 26 -10.833 1.471 11.181 128 HZ1 LYS 26 HZ1 LYS 26 -11.069 1.867 14.116 129 HZ2 LYS 26 HZ2 LYS 26 -11.713 0.625 13.161 130 HZ3 LYS 26 HZ3 LYS 26 -12.356 2.171 13.082 131 H SER 27 H SER 27 -6.283 2.705 13.378 132 HA SER 27 HA SER 27 -3.594 3.559 12.948 133 HB2 SER 27 HB2 SER 27 -4.573 0.987 14.202 134 HB3 SER 27 HB3 SER 27 -2.994 1.750 14.435 135 HG SER 27 HG SER 27 -4.341 3.615 15.185 136 H ASN 28 H ASN 28 -3.161 3.388 10.754 137 HA ASN 28 HA ASN 28 -3.360 0.705 9.571 138 HB2 ASN 28 HB2 ASN 28 -3.131 3.389 8.199 139 HB3 ASN 28 HB3 ASN 28 -3.124 1.841 7.365 140 HD21 ASN 28 HD21 ASN 28 -5.024 4.341 8.678 141 HD22 ASN 28 HD22 ASN 28 -6.560 3.635 8.425 142 H ALA 29 H ALA 29 -1.093 2.556 11.059 143 HA ALA 29 HA ALA 29 1.113 2.328 9.285 144 HB1 ALA 29 HB1 ALA 29 1.077 3.960 11.127 145 HB2 ALA 29 HB2 ALA 29 2.508 2.931 11.169 146 HB3 ALA 29 HB3 ALA 29 1.175 2.624 12.285 147 H SER 30 H SER 30 -0.138 0.275 11.834 148 HA SER 30 HA SER 30 1.679 -1.815 10.879 149 HB2 SER 30 HB2 SER 30 0.746 -1.402 13.728 150 HB3 SER 30 HB3 SER 30 1.812 -2.694 13.149 151 HG SER 30 HG SER 30 2.861 -0.467 12.304 152 H ALA 31 H ALA 31 0.640 -3.461 10.035 153 HA ALA 31 HA ALA 31 -1.971 -4.323 10.997 154 HB1 ALA 31 HB1 ALA 31 -2.870 -4.299 8.666 155 HB2 ALA 31 HB2 ALA 31 -1.430 -3.413 8.160 156 HB3 ALA 31 HB3 ALA 31 -2.556 -2.681 9.298 157 H GLN 32 H GLN 32 -2.429 -6.510 10.214 158 HA GLN 32 HA GLN 32 0.046 -7.808 9.352 159 HB2 GLN 32 HB2 GLN 32 -0.767 -9.887 10.365 160 HB3 GLN 32 HB3 GLN 32 -0.658 -8.597 11.541 161 HG2 GLN 32 HG2 GLN 32 -3.091 -8.291 11.399 162 HG3 GLN 32 HG3 GLN 32 -3.172 -9.612 10.227 163 HE21 GLN 32 HE21 GLN 32 -2.714 -8.748 13.538 164 HE22 GLN 32 HE22 GLN 32 -2.825 -10.344 14.187 165 H SER 33 H SER 33 0.160 -8.426 7.368 166 HA SER 33 HA SER 33 -1.790 -9.996 6.069 167 HB2 SER 33 HB2 SER 33 -2.932 -7.801 5.856 168 HB3 SER 33 HB3 SER 33 -1.516 -7.148 5.053 169 HG SER 33 HG SER 33 -3.246 -9.211 4.124 170 H ALA 34 H ALA 34 -0.983 -10.795 4.010 171 HA ALA 34 HA ALA 34 1.931 -10.618 3.943 172 HB1 ALA 34 HB1 ALA 34 1.802 -12.740 2.700 173 HB2 ALA 34 HB2 ALA 34 0.041 -12.687 2.831 174 HB3 ALA 34 HB3 ALA 34 1.025 -12.834 4.282 175 H TRP 35 H TRP 35 2.883 -11.087 1.712 176 HA TRP 35 HA TRP 35 3.450 -10.352 -0.265 177 HB2 TRP 35 HB2 TRP 35 0.479 -10.502 -0.731 178 HB3 TRP 35 HB3 TRP 35 1.630 -10.147 -2.026 179 HD1 TRP 35 HD TRP 35 3.514 -12.158 -2.483 180 HE1 TRP 35 HE1 TRP 35 3.219 -14.711 -2.327 181 HE3 TRP 35 HE3 TRP 35 -0.662 -12.254 0.372 182 HZ2 TRP 35 HZ2 TRP 35 1.416 -16.539 -1.125 183 HZ3 TRP 35 HZ3 TRP 35 -1.650 -14.450 1.007 184 HH2 TRP 35 HH TRP 35 -0.622 -16.541 0.270 185 H ASP 36 H ASP 36 3.248 -8.354 1.703 186 HA ASP 36 HA ASP 36 2.144 -5.950 0.578 187 HB2 ASP 36 HB2 ASP 36 3.362 -4.814 2.416 188 HB3 ASP 36 HB3 ASP 36 2.334 -6.126 2.996 189 H ILE 37 H ILE 37 4.833 -7.739 -0.096 190 HA ILE 37 HA ILE 37 6.466 -5.455 -0.942 191 HB ILE 37 HB ILE 37 8.200 -7.087 -1.543 192 HG12 ILE 37 HG12 ILE 37 6.327 -9.201 -0.448 193 HG13 ILE 37 HG11 ILE 37 6.635 -8.941 -2.164 194 HG21 ILE 37 HG21 ILE 37 8.242 -6.213 0.681 195 HG22 ILE 37 HG22 ILE 37 8.660 -7.928 0.753 196 HG23 ILE 37 HG23 ILE 37 7.046 -7.389 1.221 197 HD11 ILE 37 HD11 ILE 37 8.629 -9.810 -0.078 198 HD12 ILE 37 HD31 ILE 37 7.944 -10.797 -1.371 199 HD13 ILE 37 HD21 ILE 37 9.007 -9.460 -1.766 200 H VAL 38 H VAL 38 3.902 -6.740 -2.153 201 HA VAL 38 HA VAL 38 4.883 -7.230 -4.869 202 HB VAL 38 HB VAL 38 2.279 -7.917 -3.485 203 HG11 VAL 38 HG11 VAL 38 1.622 -9.093 -5.523 204 HG12 VAL 38 HG12 VAL 38 3.007 -8.407 -6.379 205 HG13 VAL 38 HG13 VAL 38 1.725 -7.358 -5.761 206 HG21 VAL 38 HG21 VAL 38 4.118 -9.343 -2.892 207 HG22 VAL 38 HG22 VAL 38 4.500 -9.608 -4.590 208 HG23 VAL 38 HG23 VAL 38 3.002 -10.247 -3.923 209 H VAL 39 H VAL 39 4.479 -5.814 -6.423 210 HA VAL 39 HA VAL 39 3.510 -3.223 -5.807 211 HB VAL 39 HB VAL 39 3.867 -2.776 -8.272 212 HG11 VAL 39 HG11 VAL 39 6.106 -3.865 -6.583 213 HG12 VAL 39 HG12 VAL 39 5.519 -2.193 -6.677 214 HG13 VAL 39 HG13 VAL 39 6.305 -2.923 -8.067 215 HG21 VAL 39 HG21 VAL 39 4.888 -5.607 -8.168 216 HG22 VAL 39 HG22 VAL 39 5.221 -4.471 -9.463 217 HG23 VAL 39 HG23 VAL 39 3.560 -5.001 -9.154 218 H ASP 40 H ASP 40 1.735 -5.867 -6.476 219 HA ASP 40 HA ASP 40 -0.331 -4.437 -7.949 220 HB2 ASP 40 HB2 ASP 40 -0.496 -7.190 -6.709 221 HB3 ASP 40 HB3 ASP 40 -1.671 -6.385 -7.762 222 H ASN 41 H ASN 41 0.768 -4.530 -4.877 223 HA ASN 41 HA ASN 41 -1.781 -3.539 -3.893 224 HB2 ASN 41 HB2 ASN 41 0.179 -5.363 -2.529 225 HB3 ASN 41 HB3 ASN 41 -0.921 -4.332 -1.606 226 HD21 ASN 41 HD21 ASN 41 -3.089 -4.749 -1.689 227 HD22 ASN 41 HD22 ASN 41 -3.786 -6.227 -2.229 228 H CYS 42 H CYS 42 -1.670 -1.709 -2.843 229 HA CYS 42 HA CYS 42 0.781 -0.130 -2.800 230 HB2 CYS 42 HB2 CYS 42 -1.631 0.798 -3.032 231 HB3 CYS 42 HB3 CYS 42 -1.830 0.353 -1.380 232 H ALA 43 H ALA 43 2.230 -0.575 -1.220 233 HA ALA 43 HA ALA 43 1.449 -2.232 1.039 234 HB1 ALA 43 HB1 ALA 43 3.790 -2.197 1.636 235 HB2 ALA 43 HB2 ALA 43 4.086 -0.894 0.483 236 HB3 ALA 43 HB3 ALA 43 3.631 -2.498 -0.101 237 H ILE 44 H ILE 44 1.597 1.050 0.375 238 HA ILE 44 HA ILE 44 2.484 1.984 2.895 239 HB ILE 44 HB ILE 44 0.988 3.456 0.712 240 HG12 ILE 44 HG12 ILE 44 3.947 3.043 1.239 241 HG13 ILE 44 HG11 ILE 44 2.994 2.394 -0.044 242 HG21 ILE 44 HG21 ILE 44 2.689 4.495 3.006 243 HG22 ILE 44 HG22 ILE 44 0.929 4.635 2.880 244 HG23 ILE 44 HG23 ILE 44 1.965 5.467 1.724 245 HD11 ILE 44 HD11 ILE 44 3.437 5.319 0.322 246 HD12 ILE 44 HD31 ILE 44 4.348 4.292 -0.779 247 HD13 ILE 44 HD21 ILE 44 2.611 4.539 -1.027 248 H CYS 45 H CYS 45 -0.682 1.718 1.400 249 HA CYS 45 HA CYS 45 -1.994 2.162 4.002 250 HB2 CYS 45 HB2 CYS 45 -4.069 2.162 2.622 251 HB3 CYS 45 HB3 CYS 45 -2.895 3.338 2.043 252 H ARG 46 H ARG 46 -0.962 -0.108 1.801 253 HA ARG 46 HA ARG 46 -1.024 -2.196 1.403 254 HB2 ARG 46 HB2 ARG 46 -0.285 -2.287 3.777 255 HB3 ARG 46 HB3 ARG 46 -1.920 -2.716 4.244 256 HG2 ARG 46 HG2 ARG 46 -1.820 -4.707 2.787 257 HG3 ARG 46 HG3 ARG 46 -0.171 -4.259 2.344 258 HD2 ARG 46 HD2 ARG 46 -1.102 -4.945 5.135 259 HD3 ARG 46 HD3 ARG 46 -0.275 -6.013 3.991 260 HE ARG 46 HE ARG 46 1.346 -3.783 4.327 261 HH11 ARG 46 HH11 ARG 46 0.100 -6.408 6.291 262 HH12 ARG 46 HH12 ARG 46 1.429 -6.455 7.346 263 HH21 ARG 46 HH21 ARG 46 3.149 -3.812 5.724 264 HH22 ARG 46 HH22 ARG 46 3.196 -4.929 7.047 265 H ASN 47 H ASN 47 -2.920 -1.043 0.300 266 HA ASN 47 HA ASN 47 -5.004 -3.129 0.374 267 HB2 ASN 47 HB2 ASN 47 -5.799 -0.684 0.954 268 HB3 ASN 47 HB3 ASN 47 -5.580 -0.377 -0.757 269 HD21 ASN 47 HD21 ASN 47 -7.799 -0.087 -1.239 270 HD22 ASN 47 HD22 ASN 47 -8.878 -1.409 -1.158 271 H HIS 48 H HIS 48 -6.192 -2.779 -2.056 272 HA HIS 48 HA HIS 48 -4.278 -3.976 -3.768 273 HB2 HIS 48 HB2 HIS 48 -6.725 -4.449 -3.805 274 HB3 HIS 48 HB3 HIS 48 -6.980 -2.869 -4.554 275 HD2 HIS 48 HD2 HIS 48 -4.527 -5.797 -5.517 276 HE1 HIS 48 HE1 HIS 48 -6.693 -4.598 -8.953 277 HE2 HIS 48 HE2 HIS 48 -5.294 -6.388 -7.916 278 H ILE 49 H ILE 49 -3.568 -3.260 -5.925 279 HA ILE 49 HA ILE 49 -2.263 -0.845 -5.752 280 HB ILE 49 HB ILE 49 -1.358 -2.623 -7.089 281 HG12 ILE 49 HG12 ILE 49 -0.811 -1.323 -9.206 282 HG13 ILE 49 HG11 ILE 49 -2.059 -0.204 -8.728 283 HG21 ILE 49 HG21 ILE 49 -3.759 -2.266 -8.836 284 HG22 ILE 49 HG22 ILE 49 -3.277 -3.718 -7.962 285 HG23 ILE 49 HG23 ILE 49 -2.331 -3.154 -9.349 286 HD11 ILE 49 HD11 ILE 49 0.283 -0.863 -7.025 287 HD12 ILE 49 HD31 ILE 49 0.162 0.575 -8.080 288 HD13 ILE 49 HD21 ILE 49 -0.995 0.366 -6.758 289 H MET 50 H MET 50 -5.167 -1.611 -7.718 290 HA MET 50 HA MET 50 -5.384 1.207 -7.857 291 HB2 MET 50 HB2 MET 50 -6.580 0.858 -10.221 292 HB3 MET 50 HB3 MET 50 -4.852 1.044 -10.028 293 HG2 MET 50 HG2 MET 50 -5.423 -0.662 -11.637 294 HG3 MET 50 HG3 MET 50 -4.504 -1.331 -10.305 295 HE1 MET 50 HE1 MET 50 -5.218 -3.767 -11.243 296 HE2 MET 50 HE2 MET 50 -6.099 -2.954 -12.527 297 HE3 MET 50 HE3 MET 50 -6.897 -4.218 -11.581 298 H ASP 51 H ASP 51 -6.799 1.507 -6.339 299 HA ASP 51 HA ASP 51 -9.547 1.122 -6.727 300 HB2 ASP 51 HB2 ASP 51 -8.740 -1.268 -6.043 301 HB3 ASP 51 HB3 ASP 51 -8.383 -0.556 -4.476 302 H LEU 52 H LEU 52 -10.320 1.274 -4.060 303 HA LEU 52 HA LEU 52 -9.565 3.945 -3.329 304 HB2 LEU 52 HB2 LEU 52 -11.327 1.824 -2.147 305 HB3 LEU 52 HB3 LEU 52 -11.139 3.411 -1.434 306 HG LEU 52 HG LEU 52 -12.118 3.024 -4.266 307 HD11 LEU 52 HD11 LEU 52 -13.657 1.892 -2.737 308 HD12 LEU 52 HD12 LEU 52 -14.374 3.347 -3.421 309 HD13 LEU 52 HD13 LEU 52 -13.784 3.354 -1.762 310 HD21 LEU 52 HD21 LEU 52 -11.254 5.234 -3.780 311 HD22 LEU 52 HD22 LEU 52 -12.228 5.295 -2.306 312 HD23 LEU 52 HD23 LEU 52 -13.027 5.296 -3.870 313 H CYS 53 H CYS 53 -8.330 4.578 -1.566 314 HA CYS 53 HA CYS 53 -6.481 2.661 -0.454 315 HB2 CYS 53 HB2 CYS 53 -7.047 5.466 0.558 316 HB3 CYS 53 HB3 CYS 53 -5.603 4.505 0.799 317 H ILE 54 H ILE 54 -6.209 2.920 1.983 318 HA ILE 54 HA ILE 54 -7.829 1.298 3.420 319 HB ILE 54 HB ILE 54 -7.084 2.800 5.424 320 HG12 ILE 54 HG12 ILE 54 -5.355 3.854 3.154 321 HG13 ILE 54 HG11 ILE 54 -6.423 4.778 4.127 322 HG21 ILE 54 HG21 ILE 54 -5.273 1.136 3.729 323 HG22 ILE 54 HG22 ILE 54 -6.277 0.652 5.121 324 HG23 ILE 54 HG23 ILE 54 -4.904 1.739 5.350 325 HD11 ILE 54 HD11 ILE 54 -5.105 4.336 6.091 326 HD12 ILE 54 HD31 ILE 54 -3.924 3.471 5.095 327 HD13 ILE 54 HD21 ILE 54 -4.235 5.197 4.813 328 H GLU 55 H GLU 55 -7.915 4.714 4.136 329 HA GLU 55 HA GLU 55 -10.523 4.449 5.308 330 HB2 GLU 55 HB2 GLU 55 -8.619 6.723 5.063 331 HB3 GLU 55 HB3 GLU 55 -10.071 6.773 6.029 332 HG2 GLU 55 HG2 GLU 55 -9.217 4.851 7.378 333 HG3 GLU 55 HG3 GLU 55 -7.788 4.864 6.406 334 H CYS 56 H CYS 56 -9.107 5.337 2.409 335 HA CYS 56 HA CYS 56 -10.782 7.453 1.593 336 HB2 CYS 56 HB2 CYS 56 -9.319 5.446 -0.084 337 HB3 CYS 56 HB3 CYS 56 -10.139 6.870 -0.730 338 H GLN 57 H GLN 57 -11.253 3.978 1.194 339 HA GLN 57 HA GLN 57 -13.680 4.240 -0.173 340 HB2 GLN 57 HB2 GLN 57 -14.158 1.902 0.697 341 HB3 GLN 57 HB3 GLN 57 -12.684 2.106 -0.244 342 HG2 GLN 57 HG2 GLN 57 -11.982 0.743 1.474 343 HG3 GLN 57 HG3 GLN 57 -11.548 2.328 2.060 344 HE21 GLN 57 HE21 GLN 57 -11.571 1.670 4.203 345 HE22 GLN 57 HE22 GLN 57 -13.046 1.320 5.045 346 H ALA 58 H ALA 58 -13.049 4.169 3.233 347 HA ALA 58 HA ALA 58 -15.775 4.398 4.071 348 HB1 ALA 58 HB1 ALA 58 -14.789 5.134 6.251 349 HB2 ALA 58 HB2 ALA 58 -13.188 5.090 5.488 350 HB3 ALA 58 HB3 ALA 58 -14.138 3.618 5.634 351 H ASN 59 H ASN 59 -13.225 6.634 3.291 352 HA ASN 59 HA ASN 59 -14.303 9.117 3.981 353 HB2 ASN 59 HB2 ASN 59 -11.952 8.295 3.068 354 HB3 ASN 59 HB3 ASN 59 -12.659 8.763 1.517 355 HD21 ASN 59 HD21 ASN 59 -11.270 9.774 4.480 356 HD22 ASN 59 HD22 ASN 59 -11.258 11.455 4.152 357 H GLN 60 H GLN 60 -15.006 6.900 1.443 358 HA GLN 60 HA GLN 60 -16.514 6.840 -0.252 359 HB2 GLN 60 HB2 GLN 60 -17.518 9.336 1.113 360 HB3 GLN 60 HB3 GLN 60 -18.324 8.641 -0.287 361 HG2 GLN 60 HG2 GLN 60 -17.848 7.198 2.316 362 HG3 GLN 60 HG3 GLN 60 -19.336 8.066 1.923 363 HE21 GLN 60 HE21 GLN 60 -17.388 5.202 1.292 364 HE22 GLN 60 HE22 GLN 60 -18.600 4.381 0.401 365 H ALA 61 H ALA 61 -13.992 7.779 -0.698 366 HA ALA 61 HA ALA 61 -13.812 10.195 -2.122 367 HB1 ALA 61 HB1 ALA 61 -12.161 7.698 -2.554 368 HB2 ALA 61 HB2 ALA 61 -11.835 8.931 -1.334 369 HB3 ALA 61 HB3 ALA 61 -11.732 9.339 -3.048 370 H SER 62 H SER 62 -15.367 10.543 -3.514 371 HA SER 62 HA SER 62 -16.176 8.492 -5.398 372 HB2 SER 62 HB2 SER 62 -17.351 11.201 -4.803 373 HB3 SER 62 HB3 SER 62 -18.080 9.976 -5.849 374 HG SER 62 HG SER 62 -17.425 9.564 -3.119 375 H ALA 63 H ALA 63 -13.923 10.917 -5.331 376 HA ALA 63 HA ALA 63 -14.148 12.139 -7.859 377 HB1 ALA 63 HB1 ALA 63 -11.809 12.697 -7.642 378 HB2 ALA 63 HB2 ALA 63 -11.559 11.411 -6.490 379 HB3 ALA 63 HB3 ALA 63 -12.527 12.817 -6.033 380 H THR 64 H THR 64 -12.214 9.298 -6.865 381 HA THR 64 HA THR 64 -12.910 7.920 -9.277 382 HB THR 64 HB THR 64 -10.402 7.215 -9.306 383 HG1 THR 64 HG3 THR 64 -9.420 8.286 -7.857 384 HG21 THR 64 HG21 THR 64 -11.295 9.841 -10.497 385 HG22 THR 64 HG22 THR 64 -11.518 8.253 -11.215 386 HG23 THR 64 HG23 THR 64 -9.893 8.922 -11.032 387 H SER 65 H SER 65 -13.961 6.338 -8.219 388 HA SER 65 HA SER 65 -12.721 5.125 -5.879 389 HB2 SER 65 HB2 SER 65 -15.335 4.504 -7.245 390 HB3 SER 65 HB3 SER 65 -14.826 3.880 -5.681 391 HG SER 65 HG SER 65 -14.593 6.454 -5.422 392 H GLU 66 H GLU 66 -12.932 4.718 -9.223 393 HA GLU 66 HA GLU 66 -12.493 1.949 -9.528 394 HB2 GLU 66 HB2 GLU 66 -13.044 3.588 -11.378 395 HB3 GLU 66 HB3 GLU 66 -11.430 4.237 -11.182 396 HG2 GLU 66 HG2 GLU 66 -11.524 2.781 -13.097 397 HG3 GLU 66 HG3 GLU 66 -10.463 2.096 -11.873 398 H GLU 67 H GLU 67 -10.453 4.713 -8.973 399 HA GLU 67 HA GLU 67 -8.451 3.211 -7.663 400 HB2 GLU 67 HB2 GLU 67 -6.621 4.136 -9.147 401 HB3 GLU 67 HB3 GLU 67 -7.589 2.866 -9.874 402 HG2 GLU 67 HG2 GLU 67 -8.882 4.557 -11.097 403 HG3 GLU 67 HG3 GLU 67 -7.900 5.817 -10.370 404 H CYS 68 H CYS 68 -8.260 4.455 -5.920 405 HA CYS 68 HA CYS 68 -9.162 7.070 -5.684 406 HB2 CYS 68 HB2 CYS 68 -8.785 5.680 -3.726 407 HB3 CYS 68 HB3 CYS 68 -7.057 5.617 -4.031 408 H THR 69 H THR 69 -5.891 5.901 -6.101 409 HA THR 69 HA THR 69 -5.064 7.804 -7.965 410 HB THR 69 HB THR 69 -3.220 8.474 -5.985 411 HG1 THR 69 HG3 THR 69 -5.822 8.782 -4.988 412 HG21 THR 69 HG21 THR 69 -5.537 10.133 -6.993 413 HG22 THR 69 HG22 THR 69 -3.977 9.962 -7.795 414 HG23 THR 69 HG23 THR 69 -4.079 10.763 -6.232 415 H VAL 70 H VAL 70 -3.238 6.946 -8.945 416 HA VAL 70 HA VAL 70 -1.623 5.120 -7.343 417 HB VAL 70 HB VAL 70 -3.225 3.767 -8.677 418 HG11 VAL 70 HG11 VAL 70 -3.454 5.283 -10.560 419 HG12 VAL 70 HG12 VAL 70 -3.116 3.619 -11.039 420 HG13 VAL 70 HG13 VAL 70 -1.828 4.842 -11.107 421 HG21 VAL 70 HG21 VAL 70 -0.362 3.457 -9.577 422 HG22 VAL 70 HG22 VAL 70 -1.596 2.206 -9.616 423 HG23 VAL 70 HG23 VAL 70 -1.036 2.847 -8.069 424 H ALA 71 H ALA 71 0.565 5.010 -7.884 425 HA ALA 71 HA ALA 71 1.481 6.500 -10.210 426 HB1 ALA 71 HB1 ALA 71 3.200 7.648 -8.879 427 HB2 ALA 71 HB2 ALA 71 2.511 6.970 -7.402 428 HB3 ALA 71 HB3 ALA 71 1.581 8.121 -8.372 429 H TRP 72 H TRP 72 3.203 5.649 -11.188 430 HA TRP 72 HA TRP 72 4.108 3.132 -10.084 431 HB2 TRP 72 HB2 TRP 72 4.915 4.331 -12.689 432 HB3 TRP 72 HB3 TRP 72 4.915 2.660 -12.207 433 HD1 TRP 72 HD TRP 72 3.082 4.685 -14.508 434 HE1 TRP 72 HE1 TRP 72 0.704 3.784 -14.954 435 HE3 TRP 72 HE3 TRP 72 2.661 1.586 -10.547 436 HZ2 TRP 72 HZ2 TRP 72 -1.117 1.979 -13.760 437 HZ3 TRP 72 HZ3 TRP 72 0.532 0.276 -10.250 438 HH2 TRP 72 HH TRP 72 -1.281 0.497 -11.839 439 H GLY 73 H GLY 73 6.217 2.798 -9.568 440 HA2 GLY 73 HA2 GLY 73 7.899 5.161 -9.368 441 HA3 GLY 73 HA3 GLY 73 8.075 3.653 -8.453 442 H VAL 74 H VAL 74 9.861 5.213 -10.277 443 HA VAL 74 HA VAL 74 10.318 3.780 -12.682 444 HB VAL 74 HB VAL 74 12.303 5.321 -11.004 445 HG11 VAL 74 HG11 VAL 74 12.359 4.595 -13.942 446 HG12 VAL 74 HG12 VAL 74 13.469 4.016 -12.689 447 HG13 VAL 74 HG13 VAL 74 13.474 5.707 -13.162 448 HG21 VAL 74 HG21 VAL 74 10.332 6.646 -11.562 449 HG22 VAL 74 HG22 VAL 74 10.557 6.280 -13.265 450 HG23 VAL 74 HG23 VAL 74 11.761 7.247 -12.401 451 H CYS 75 H CYS 75 11.089 3.212 -9.409 452 HA CYS 75 HA CYS 75 13.221 1.334 -9.768 453 HB2 CYS 75 HB2 CYS 75 12.830 1.081 -7.305 454 HB3 CYS 75 HB3 CYS 75 13.210 2.699 -7.849 455 H ASN 76 H ASN 76 10.460 0.877 -10.966 456 HA ASN 76 HA ASN 76 9.068 -0.811 -11.482 457 HB2 ASN 76 HB2 ASN 76 11.249 -2.123 -11.568 458 HB3 ASN 76 HB3 ASN 76 10.886 -2.641 -9.924 459 HD21 ASN 76 HD21 ASN 76 10.612 -4.807 -10.391 460 HD22 ASN 76 HD22 ASN 76 9.317 -5.416 -11.374 461 H HIS 77 H HIS 77 8.581 0.737 -9.330 462 HA HIS 77 HA HIS 77 7.188 -1.133 -7.601 463 HB2 HIS 77 HB2 HIS 77 8.592 1.371 -6.928 464 HB3 HIS 77 HB3 HIS 77 7.118 0.994 -6.010 465 HD2 HIS 77 HD2 HIS 77 7.861 -2.322 -5.944 466 HE1 HIS 77 HE1 HIS 77 11.053 -0.939 -3.561 467 HE2 HIS 77 HE2 HIS 77 9.893 -2.937 -4.540 468 H ALA 78 H ALA 78 5.118 -0.346 -6.688 469 HA ALA 78 HA ALA 78 3.832 1.692 -8.245 470 HB1 ALA 78 HB1 ALA 78 1.992 0.241 -8.820 471 HB2 ALA 78 HB2 ALA 78 2.773 -1.116 -8.023 472 HB3 ALA 78 HB3 ALA 78 3.485 -0.423 -9.491 473 H PHE 79 H PHE 79 2.763 2.906 -6.827 474 HA PHE 79 HA PHE 79 1.510 1.639 -4.522 475 HB2 PHE 79 HB2 PHE 79 3.303 4.062 -4.421 476 HB3 PHE 79 HB3 PHE 79 2.305 3.538 -3.079 477 HD1 PHE 79 HD2 PHE 79 2.864 1.176 -2.089 478 HD2 PHE 79 HD3 PHE 79 5.419 3.245 -4.784 479 HE1 PHE 79 HE2 PHE 79 4.795 -0.278 -1.414 480 HE2 PHE 79 HE1 PHE 79 7.300 1.802 -4.105 481 HZ PHE 79 HZ PHE 79 6.970 0.064 -2.432 482 H HIS 80 H HIS 80 0.023 3.325 -3.442 483 HA HIS 80 HA HIS 80 -1.514 4.550 -5.517 484 HB2 HIS 80 HB2 HIS 80 -1.613 4.509 -2.540 485 HB3 HIS 80 HB3 HIS 80 -2.625 5.614 -3.433 486 HD2 HIS 80 HD2 HIS 80 -3.327 3.122 -5.751 487 HE1 HIS 80 HE1 HIS 80 -5.362 1.548 -2.385 488 HE2 HIS 80 HE2 HIS 80 -4.711 1.179 -4.742 489 H PHE 81 H PHE 81 -1.423 6.630 -6.153 490 HA PHE 81 HA PHE 81 0.835 8.141 -5.537 491 HB2 PHE 81 HB2 PHE 81 -0.288 8.511 -7.607 492 HB3 PHE 81 HB3 PHE 81 -1.765 9.036 -6.868 493 HD1 PHE 81 HD3 PHE 81 1.770 9.868 -7.453 494 HD2 PHE 81 HD2 PHE 81 -2.023 11.323 -6.192 495 HE1 PHE 81 HE1 PHE 81 2.620 12.163 -7.571 496 HE2 PHE 81 HE2 PHE 81 -1.180 13.628 -6.306 497 HZ PHE 81 HZ PHE 81 1.143 14.050 -6.995 498 H HIS 82 H HIS 82 -2.379 8.193 -4.207 499 HA HIS 82 HA HIS 82 -2.109 10.466 -2.555 500 HB2 HIS 82 HB2 HIS 82 -4.254 9.373 -3.024 501 HB3 HIS 82 HB3 HIS 82 -3.733 7.952 -2.143 502 HD2 HIS 82 HD2 HIS 82 -2.931 11.183 -0.309 503 HE1 HIS 82 HE1 HIS 82 -6.560 9.711 1.333 504 HE2 HIS 82 HE2 HIS 82 -4.961 11.639 1.250 505 H CYS 83 H CYS 83 -1.524 7.005 -1.886 506 HA CYS 83 HA CYS 83 -0.753 7.405 0.789 507 HB2 CYS 83 HB2 CYS 83 -0.135 5.042 -0.999 508 HB3 CYS 83 HB3 CYS 83 -0.112 5.138 0.752 509 H ILE 84 H ILE 84 1.055 6.961 -2.236 510 HA ILE 84 HA ILE 84 3.559 6.924 -0.961 511 HB ILE 84 HB ILE 84 3.223 6.095 -3.330 512 HG12 ILE 84 HG12 ILE 84 5.358 7.012 -4.225 513 HG13 ILE 84 HG11 ILE 84 5.370 8.147 -2.893 514 HG21 ILE 84 HG21 ILE 84 1.880 8.026 -4.015 515 HG22 ILE 84 HG22 ILE 84 3.146 7.543 -5.160 516 HG23 ILE 84 HG23 ILE 84 3.370 8.978 -4.126 517 HD11 ILE 84 HD11 ILE 84 5.486 5.149 -2.636 518 HD12 ILE 84 HD31 ILE 84 6.831 6.266 -2.463 519 HD13 ILE 84 HD21 ILE 84 5.502 6.286 -1.298 520 H SER 85 H SER 85 1.606 9.560 -2.207 521 HA SER 85 HA SER 85 3.520 11.592 -1.854 522 HB2 SER 85 HB2 SER 85 0.506 11.761 -1.680 523 HB3 SER 85 HB3 SER 85 1.578 13.157 -1.756 524 HG SER 85 HG SER 85 1.002 11.223 -3.700 525 H ARG 86 H ARG 86 1.111 10.291 0.428 526 HA ARG 86 HA ARG 86 1.778 11.958 2.623 527 HB2 ARG 86 HB2 ARG 86 0.651 9.145 2.532 528 HB3 ARG 86 HB3 ARG 86 0.783 10.099 4.000 529 HG2 ARG 86 HG2 ARG 86 -0.739 11.733 3.144 530 HG3 ARG 86 HG3 ARG 86 -0.803 10.919 1.581 531 HD2 ARG 86 HD2 ARG 86 -2.776 10.354 2.856 532 HD3 ARG 86 HD3 ARG 86 -1.746 8.939 2.709 533 HE ARG 86 HE ARG 86 -1.173 10.297 5.108 534 HH11 ARG 86 HH11 ARG 86 -3.594 8.203 3.612 535 HH12 ARG 86 HH12 ARG 86 -4.239 7.641 5.077 536 HH21 ARG 86 HH21 ARG 86 -2.031 9.457 7.187 537 HH22 ARG 86 HH22 ARG 86 -3.281 8.311 7.149 538 H TRP 87 H TRP 87 2.992 8.893 1.460 539 HA TRP 87 HA TRP 87 4.723 8.264 3.564 540 HB2 TRP 87 HB2 TRP 87 4.090 6.611 1.973 541 HB3 TRP 87 HB3 TRP 87 4.704 7.564 0.628 542 HD1 TRP 87 HD TRP 87 7.140 7.107 -0.078 543 HE1 TRP 87 HE1 TRP 87 9.053 5.701 0.925 544 HE3 TRP 87 HE3 TRP 87 4.996 5.873 4.368 545 HZ2 TRP 87 HZ2 TRP 87 9.583 4.263 3.287 546 HZ3 TRP 87 HZ3 TRP 87 6.274 4.478 5.972 547 HH2 TRP 87 HH TRP 87 8.522 3.694 5.427 548 H LEU 88 H LEU 88 5.233 9.912 0.498 549 HA LEU 88 HA LEU 88 7.966 10.474 0.898 550 HB2 LEU 88 HB2 LEU 88 5.908 11.590 -0.966 551 HB3 LEU 88 HB3 LEU 88 7.604 12.015 -1.073 552 HG LEU 88 HG LEU 88 6.572 9.197 -1.269 553 HD11 LEU 88 HD11 LEU 88 7.027 9.420 -3.642 554 HD12 LEU 88 HD12 LEU 88 7.232 11.175 -3.427 555 HD13 LEU 88 HD13 LEU 88 5.677 10.390 -3.072 556 HD21 LEU 88 HD21 LEU 88 8.929 9.459 -0.536 557 HD22 LEU 88 HD22 LEU 88 9.255 10.373 -2.011 558 HD23 LEU 88 HD23 LEU 88 8.774 8.685 -2.105 559 H LYS 89 H LYS 89 5.098 12.014 1.874 560 HA LYS 89 HA LYS 89 6.029 14.612 2.383 561 HB2 LYS 89 HB2 LYS 89 3.658 13.831 2.461 562 HB3 LYS 89 HB3 LYS 89 4.019 12.964 3.940 563 HG2 LYS 89 HG2 LYS 89 4.482 15.091 5.057 564 HG3 LYS 89 HG3 LYS 89 4.128 15.945 3.547 565 HD2 LYS 89 HD2 LYS 89 1.858 14.964 3.563 566 HD3 LYS 89 HD3 LYS 89 2.222 14.215 5.115 567 HE2 LYS 89 HE2 LYS 89 2.158 17.164 4.517 568 HE3 LYS 89 HE1 LYS 89 0.934 16.260 5.397 569 HZ1 LYS 89 HZ1 LYS 89 3.721 16.820 6.253 570 HZ2 LYS 89 HZ2 LYS 89 2.724 15.725 7.067 571 HZ3 LYS 89 HZ3 LYS 89 2.288 17.352 6.956 572 H THR 90 H THR 90 6.168 11.576 4.219 573 HA THR 90 HA THR 90 7.849 12.956 6.154 574 HB THR 90 HB THR 90 5.920 11.891 7.138 575 HG1 THR 90 HG3 THR 90 7.884 11.977 8.250 576 HG21 THR 90 HG21 THR 90 7.041 9.225 6.250 577 HG22 THR 90 HG22 THR 90 5.680 10.039 5.491 578 HG23 THR 90 HG23 THR 90 5.567 9.497 7.171 579 H ARG 91 H ARG 91 8.197 10.749 3.562 580 HA ARG 91 HA ARG 91 10.905 9.992 4.473 581 HB2 ARG 91 HB2 ARG 91 8.978 8.246 2.923 582 HB3 ARG 91 HB3 ARG 91 10.631 7.866 3.310 583 HG2 ARG 91 HG2 ARG 91 8.525 8.344 5.374 584 HG3 ARG 91 HG3 ARG 91 8.956 6.757 4.748 585 HD2 ARG 91 HD2 ARG 91 11.275 7.142 5.491 586 HD3 ARG 91 HD3 ARG 91 10.781 8.669 6.211 587 HE ARG 91 HE ARG 91 9.267 7.361 7.624 588 HH11 ARG 91 HH11 ARG 91 12.173 5.827 6.279 589 HH12 ARG 91 HH12 ARG 91 12.099 4.468 7.277 590 HH21 ARG 91 HH21 ARG 91 9.186 5.486 9.041 591 HH22 ARG 91 HH22 ARG 91 10.367 4.268 8.901 592 H GLN 92 H GLN 92 12.431 9.611 2.778 593 HA GLN 92 HA GLN 92 11.732 10.905 0.214 594 HB2 GLN 92 HB2 GLN 92 14.363 10.380 1.540 595 HB3 GLN 92 HB3 GLN 92 14.233 10.957 -0.107 596 HG2 GLN 92 HG2 GLN 92 13.055 12.983 0.811 597 HG3 GLN 92 HG3 GLN 92 13.361 12.340 2.421 598 HE21 GLN 92 HE21 GLN 92 14.669 14.039 3.054 599 HE22 GLN 92 HE22 GLN 92 16.254 14.270 2.412 600 H VAL 93 H VAL 93 12.068 7.897 1.557 601 HA VAL 93 HA VAL 93 13.162 6.723 -0.914 602 HB VAL 93 HB VAL 93 14.129 4.914 0.557 603 HG11 VAL 93 HG11 VAL 93 15.100 7.735 1.028 604 HG12 VAL 93 HG12 VAL 93 15.517 6.691 -0.341 605 HG13 VAL 93 HG13 VAL 93 16.048 6.263 1.285 606 HG21 VAL 93 HG21 VAL 93 12.726 5.298 2.521 607 HG22 VAL 93 HG22 VAL 93 13.422 6.899 2.697 608 HG23 VAL 93 HG23 VAL 93 14.438 5.457 2.953 609 H CYS 94 H CYS 94 12.438 4.682 -1.485 610 HA CYS 94 HA CYS 94 9.832 3.985 -1.317 611 HB2 CYS 94 HB2 CYS 94 12.288 2.375 -1.627 612 HB3 CYS 94 HB3 CYS 94 10.734 1.607 -1.882 613 HA PRO 95 HA PRO 95 9.541 2.138 2.846 614 HB2 PRO 95 HB2 PRO 95 7.326 0.528 2.105 615 HB3 PRO 95 HB3 PRO 95 7.272 2.026 3.013 616 HG2 PRO 95 HG2 PRO 95 6.381 1.564 0.363 617 HG3 PRO 95 HG3 PRO 95 6.429 3.121 1.223 618 HD2 PRO 95 HD2 PRO 95 8.139 2.092 -0.903 619 HD3 PRO 95 HD3 PRO 95 8.044 3.739 -0.275 620 H LEU 96 H LEU 96 9.616 0.509 -0.109 621 HA LEU 96 HA LEU 96 10.049 -2.115 1.124 622 HB2 LEU 96 HB2 LEU 96 9.740 -1.431 -1.807 623 HB3 LEU 96 HB3 LEU 96 9.760 -3.035 -1.130 624 HG LEU 96 HG LEU 96 7.604 -0.973 -0.784 625 HD11 LEU 96 HD11 LEU 96 6.263 -2.498 -2.133 626 HD12 LEU 96 HD12 LEU 96 7.654 -3.576 -2.271 627 HD13 LEU 96 HD13 LEU 96 7.724 -1.965 -2.979 628 HD21 LEU 96 HD21 LEU 96 7.805 -2.333 1.251 629 HD22 LEU 96 HD22 LEU 96 7.741 -3.805 0.275 630 HD23 LEU 96 HD23 LEU 96 6.344 -2.743 0.353 631 H ASP 97 H ASP 97 11.472 -0.012 -1.371 632 HA ASP 97 HA ASP 97 13.822 -1.609 -1.717 633 HB2 ASP 97 HB2 ASP 97 12.878 1.021 -2.737 634 HB3 ASP 97 HB3 ASP 97 14.591 0.588 -2.870 635 H ASN 98 H ASN 98 12.996 1.221 0.192 636 HA ASN 98 HA ASN 98 14.137 2.690 1.467 637 HB2 ASN 98 HB2 ASN 98 16.021 0.352 1.663 638 HB3 ASN 98 HB3 ASN 98 16.332 1.845 2.536 639 HD21 ASN 98 HD21 ASN 98 16.148 0.889 4.555 640 HD22 ASN 98 HD22 ASN 98 14.654 0.338 5.218 641 H ARG 99 H ARG 99 14.395 2.569 -1.324 642 HA ARG 99 HA ARG 99 16.986 3.713 -2.014 643 HB2 ARG 99 HB2 ARG 99 16.207 1.628 -3.211 644 HB3 ARG 99 HB3 ARG 99 14.685 2.502 -3.320 645 HG2 ARG 99 HG2 ARG 99 15.646 2.342 -5.375 646 HG3 ARG 99 HG3 ARG 99 15.520 4.013 -4.783 647 HD2 ARG 99 HD2 ARG 99 18.117 2.678 -4.283 648 HD3 ARG 99 HD3 ARG 99 17.784 2.946 -5.989 649 HE ARG 99 HE ARG 99 18.392 4.925 -3.977 650 HH11 ARG 99 HH11 ARG 99 16.913 4.392 -7.190 651 HH12 ARG 99 HH12 ARG 99 17.269 5.941 -7.755 652 HH21 ARG 99 HH21 ARG 99 18.858 7.090 -4.785 653 HH22 ARG 99 HH22 ARG 99 18.324 7.507 -6.356 654 H GLU 100 H GLU 100 16.697 5.641 -3.221 655 HA GLU 100 HA GLU 100 14.616 7.337 -2.247 656 HB2 GLU 100 HB2 GLU 100 16.797 8.256 -2.936 657 HB3 GLU 100 HB3 GLU 100 16.444 7.858 -4.614 658 HG2 GLU 100 HG2 GLU 100 14.529 9.378 -4.554 659 HG3 GLU 100 HG3 GLU 100 14.908 9.801 -2.889 660 H TRP 101 H TRP 101 12.618 7.585 -2.912 661 HA TRP 101 HA TRP 101 11.604 5.973 -4.991 662 HB2 TRP 101 HB2 TRP 101 10.133 6.320 -3.193 663 HB3 TRP 101 HB3 TRP 101 10.416 8.025 -3.126 664 HD1 TRP 101 HD TRP 101 9.059 9.575 -4.773 665 HE1 TRP 101 HE1 TRP 101 6.999 9.167 -6.264 666 HE3 TRP 101 HE3 TRP 101 8.994 4.541 -4.591 667 HZ2 TRP 101 HZ2 TRP 101 5.548 6.990 -7.230 668 HZ3 TRP 101 HZ3 TRP 101 7.215 3.317 -5.836 669 HH2 TRP 101 HH TRP 101 5.521 4.559 -7.120 670 H GLU 102 H GLU 102 11.378 6.409 -7.062 671 HA GLU 102 HA GLU 102 11.574 9.199 -7.940 672 HB2 GLU 102 HB2 GLU 102 12.558 6.709 -9.347 673 HB3 GLU 102 HB3 GLU 102 12.612 8.339 -10.017 674 HG2 GLU 102 HG2 GLU 102 14.097 9.016 -8.179 675 HG3 GLU 102 HG3 GLU 102 14.047 7.370 -7.558 676 H PHE 103 H PHE 103 9.918 9.912 -9.161 677 HA PHE 103 HA PHE 103 7.615 8.236 -9.520 678 HB2 PHE 103 HB2 PHE 103 8.174 11.109 -10.264 679 HB3 PHE 103 HB3 PHE 103 6.700 10.296 -10.706 680 HD1 PHE 103 HD2 PHE 103 5.124 9.588 -9.012 681 HD2 PHE 103 HD3 PHE 103 8.566 11.841 -8.091 682 HE1 PHE 103 HE2 PHE 103 4.105 10.198 -6.844 683 HE2 PHE 103 HE1 PHE 103 7.585 12.484 -5.900 684 HZ PHE 103 HZ PHE 103 5.342 11.654 -5.286 685 H GLN 104 H GLN 104 6.982 7.223 -11.274 686 HA GLN 104 HA GLN 104 8.531 7.555 -13.723 687 HB2 GLN 104 HB2 GLN 104 8.098 5.288 -12.616 688 HB3 GLN 104 HB3 GLN 104 6.430 5.478 -13.066 689 HG2 GLN 104 HG2 GLN 104 8.750 5.332 -14.980 690 HG3 GLN 104 HG3 GLN 104 7.694 3.991 -14.541 691 HE21 GLN 104 HE21 GLN 104 8.107 6.830 -16.429 692 HE22 GLN 104 HE22 GLN 104 6.638 6.686 -17.342 693 H LYS 105 H LYS 105 5.096 6.727 -13.190 694 HA LYS 105 HA LYS 105 4.224 9.274 -14.197 695 HB2 LYS 105 HB2 LYS 105 4.765 7.612 -16.145 696 HB3 LYS 105 HB3 LYS 105 3.269 6.830 -15.695 697 HG2 LYS 105 HG2 LYS 105 2.025 8.845 -16.172 698 HG3 LYS 105 HG3 LYS 105 3.526 9.727 -16.478 699 HD2 LYS 105 HD2 LYS 105 4.021 8.098 -18.315 700 HD3 LYS 105 HD3 LYS 105 2.439 7.394 -18.048 701 HE2 LYS 105 HE2 LYS 105 2.892 10.284 -18.775 702 HE3 LYS 105 HE1 LYS 105 2.560 9.017 -19.942 703 HZ1 LYS 105 HZ1 LYS 105 0.409 8.630 -18.785 704 HZ2 LYS 105 HZ2 LYS 105 0.572 10.162 -19.434 705 HZ3 LYS 105 HZ3 LYS 105 0.674 9.982 -17.808 706 H TYR 106 H TYR 106 2.008 9.643 -13.613 707 HA TYR 106 HA TYR 106 1.131 7.851 -11.504 708 HB2 TYR 106 HB2 TYR 106 -0.419 9.521 -10.820 709 HB3 TYR 106 HB3 TYR 106 1.063 10.366 -11.219 710 HD1 TYR 106 HD3 TYR 106 1.167 11.659 -13.390 711 HD2 TYR 106 HD2 TYR 106 -2.428 9.967 -11.916 712 HE1 TYR 106 HE1 TYR 106 -0.122 13.147 -14.855 713 HE2 TYR 106 HE2 TYR 106 -3.736 11.446 -13.374 714 HH TYR 106 HH TYR 106 -2.548 12.937 -15.945 715 H GLY 107 H GLY 107 0.658 7.940 -14.725 716 HA2 GLY 107 HA2 GLY 107 -0.928 6.045 -15.375 717 HA3 GLY 107 HA3 GLY 107 -2.133 7.031 -14.579 718 H HIS 108 H HIS 108 -2.952 8.777 -15.547 719 HA HIS 108 HA HIS 108 -2.262 9.087 -18.356 720 HB2 HIS 108 HB2 HIS 108 -4.333 10.511 -18.458 721 HB3 HIS 108 HB3 HIS 108 -4.637 8.856 -17.924 722 HD2 HIS 108 HD2 HIS 108 -5.441 12.422 -16.859 723 HE1 HIS 108 HE1 HIS 108 -6.040 9.980 -13.436 724 HE2 HIS 108 HE2 HIS 108 -6.320 12.279 -14.409 Start of MODEL 4 1 H1 GLY 9 H GLY 9 -30.630 -56.145 -15.104 2 HA2 GLY 9 HA2 GLY 9 -27.872 -55.961 -15.614 3 HA3 GLY 9 HA3 GLY 9 -28.700 -54.590 -16.335 4 H GLY 10 H GLY 10 -26.842 -54.174 -14.379 5 HA2 GLY 10 HA2 GLY 10 -27.921 -53.957 -11.775 6 HA3 GLY 10 HA3 GLY 10 -26.521 -53.103 -12.387 7 H GLY 11 H GLY 11 -27.930 -51.826 -14.554 8 HA2 GLY 11 HA2 GLY 11 -29.648 -50.225 -14.909 9 HA3 GLY 11 HA3 GLY 11 -29.927 -50.176 -13.178 10 H GLY 12 H GLY 12 -28.834 -48.741 -11.937 11 HA2 GLY 12 HA2 GLY 12 -26.873 -47.388 -11.544 12 HA3 GLY 12 HA3 GLY 12 -26.760 -47.142 -13.284 13 H THR 13 H THR 13 -26.999 -45.239 -10.986 14 HA THR 13 HA THR 13 -29.285 -43.739 -12.078 15 HB THR 13 HB THR 13 -28.438 -43.794 -9.174 16 HG1 THR 13 HG3 THR 13 -29.614 -45.658 -10.379 17 HG21 THR 13 HG21 THR 13 -30.834 -42.572 -10.584 18 HG22 THR 13 HG22 THR 13 -29.516 -41.696 -9.798 19 HG23 THR 13 HG23 THR 13 -30.626 -42.665 -8.840 20 H ASN 14 H ASN 14 -28.344 -42.127 -13.189 21 HA ASN 14 HA ASN 14 -25.804 -41.031 -12.605 22 HB2 ASN 14 HB2 ASN 14 -28.041 -40.172 -14.404 23 HB3 ASN 14 HB3 ASN 14 -26.660 -39.120 -14.149 24 HD21 ASN 14 HD21 ASN 14 -27.812 -42.068 -15.620 25 HD22 ASN 14 HD22 ASN 14 -26.374 -42.389 -16.511 26 H SER 15 H SER 15 -29.052 -39.999 -11.756 27 HA SER 15 HA SER 15 -28.250 -37.469 -10.731 28 HB2 SER 15 HB2 SER 15 -30.520 -37.899 -11.589 29 HB3 SER 15 HB3 SER 15 -30.791 -39.047 -10.285 30 HG SER 15 HG SER 15 -31.639 -37.282 -9.548 31 H GLY 16 H GLY 16 -27.789 -36.837 -8.682 32 HA2 GLY 16 HA2 GLY 16 -28.038 -38.783 -6.499 33 HA3 GLY 16 HA3 GLY 16 -26.465 -38.080 -6.825 34 H ALA 17 H ALA 17 -28.651 -37.854 -4.637 35 HA ALA 17 HA ALA 17 -28.997 -34.946 -4.645 36 HB1 ALA 17 HB1 ALA 17 -30.697 -35.308 -2.950 37 HB2 ALA 17 HB2 ALA 17 -30.300 -37.025 -2.893 38 HB3 ALA 17 HB3 ALA 17 -31.003 -36.329 -4.355 39 H GLY 18 H GLY 18 -26.449 -36.336 -3.978 40 HA2 GLY 18 HA2 GLY 18 -26.147 -35.766 -1.130 41 HA3 GLY 18 HA3 GLY 18 -24.931 -36.476 -2.192 42 H LYS 19 H LYS 19 -26.462 -33.835 -3.534 43 HA LYS 19 HA LYS 19 -24.030 -32.282 -3.547 44 HB2 LYS 19 HB2 LYS 19 -25.423 -32.480 -5.530 45 HB3 LYS 19 HB3 LYS 19 -26.767 -31.730 -4.687 46 HG2 LYS 19 HG2 LYS 19 -25.437 -29.656 -4.492 47 HG3 LYS 19 HG3 LYS 19 -24.136 -30.438 -5.397 48 HD2 LYS 19 HD2 LYS 19 -26.945 -30.081 -6.434 49 HD3 LYS 19 HD3 LYS 19 -25.617 -28.974 -6.782 50 HE2 LYS 19 HE2 LYS 19 -24.376 -30.767 -7.868 51 HE3 LYS 19 HE1 LYS 19 -25.646 -31.915 -7.473 52 HZ1 LYS 19 HZ1 LYS 19 -26.040 -29.515 -9.147 53 HZ2 LYS 19 HZ2 LYS 19 -27.178 -30.726 -8.895 54 HZ3 LYS 19 HZ3 LYS 19 -25.745 -31.048 -9.764 55 H LYS 20 H LYS 20 -23.597 -30.479 -2.389 56 HA LYS 20 HA LYS 20 -25.655 -29.568 -0.498 57 HB2 LYS 20 HB2 LYS 20 -22.657 -29.130 -0.486 58 HB3 LYS 20 HB3 LYS 20 -23.766 -28.443 0.679 59 HG2 LYS 20 HG2 LYS 20 -22.782 -30.264 1.774 60 HG3 LYS 20 HG3 LYS 20 -24.369 -30.849 1.266 61 HD2 LYS 20 HD2 LYS 20 -23.358 -31.997 -0.638 62 HD3 LYS 20 HD3 LYS 20 -21.786 -31.333 -0.213 63 HE2 LYS 20 HE2 LYS 20 -23.411 -33.143 1.568 64 HE3 LYS 20 HE1 LYS 20 -22.123 -33.697 0.493 65 HZ1 LYS 20 HZ1 LYS 20 -21.748 -31.740 2.717 66 HZ2 LYS 20 HZ2 LYS 20 -20.557 -32.339 1.702 67 HZ3 LYS 20 HZ3 LYS 20 -21.342 -33.377 2.774 68 H ARG 21 H ARG 21 -26.470 -27.579 -0.672 69 HA ARG 21 HA ARG 21 -25.920 -25.884 -2.853 70 HB2 ARG 21 HB2 ARG 21 -28.068 -25.808 -1.674 71 HB3 ARG 21 HB3 ARG 21 -27.257 -25.231 -0.225 72 HG2 ARG 21 HG2 ARG 21 -26.585 -23.207 -1.399 73 HG3 ARG 21 HG3 ARG 21 -27.388 -23.770 -2.862 74 HD2 ARG 21 HD2 ARG 21 -29.533 -23.737 -1.693 75 HD3 ARG 21 HD3 ARG 21 -28.720 -23.219 -0.213 76 HE ARG 21 HE ARG 21 -28.127 -21.469 -2.363 77 HH11 ARG 21 HH11 ARG 21 -30.801 -22.218 -0.143 78 HH12 ARG 21 HH12 ARG 21 -31.333 -20.597 -0.113 79 HH21 ARG 21 HH21 ARG 21 -28.891 -19.366 -2.313 80 HH22 ARG 21 HH22 ARG 21 -30.272 -18.938 -1.374 81 H PHE 22 H PHE 22 -24.811 -25.964 0.460 82 HA PHE 22 HA PHE 22 -23.298 -24.864 1.643 83 HB2 PHE 22 HB2 PHE 22 -22.156 -23.978 -1.031 84 HB3 PHE 22 HB3 PHE 22 -21.374 -23.716 0.516 85 HD1 PHE 22 HD3 PHE 22 -20.849 -25.847 1.912 86 HD2 PHE 22 HD2 PHE 22 -21.670 -25.869 -2.261 87 HE1 PHE 22 HE1 PHE 22 -19.707 -28.018 1.695 88 HE2 PHE 22 HE2 PHE 22 -20.524 -28.033 -2.492 89 HZ PHE 22 HZ PHE 22 -19.552 -29.122 -0.502 90 H GLU 23 H GLU 23 -25.166 -23.721 2.297 91 HA GLU 23 HA GLU 23 -25.776 -21.097 1.351 92 HB2 GLU 23 HB2 GLU 23 -27.073 -22.818 2.925 93 HB3 GLU 23 HB3 GLU 23 -26.259 -21.919 4.197 94 HG2 GLU 23 HG2 GLU 23 -28.082 -20.744 2.101 95 HG3 GLU 23 HG3 GLU 23 -28.545 -21.142 3.750 96 H VAL 24 H VAL 24 -23.838 -22.539 3.886 97 HA VAL 24 HA VAL 24 -22.498 -19.991 4.413 98 HB VAL 24 HB VAL 24 -22.168 -22.696 5.745 99 HG11 VAL 24 HG11 VAL 24 -20.169 -21.404 5.978 100 HG12 VAL 24 HG12 VAL 24 -21.005 -21.411 7.529 101 HG13 VAL 24 HG13 VAL 24 -21.079 -19.988 6.489 102 HG21 VAL 24 HG21 VAL 24 -24.394 -21.769 6.141 103 HG22 VAL 24 HG22 VAL 24 -23.672 -20.264 6.722 104 HG23 VAL 24 HG23 VAL 24 -23.429 -21.767 7.617 105 H LYS 25 H LYS 25 -20.854 -19.584 3.091 106 HA LYS 25 HA LYS 25 -19.399 -21.841 1.904 107 HB2 LYS 25 HB2 LYS 25 -20.429 -19.921 0.508 108 HB3 LYS 25 HB3 LYS 25 -19.179 -18.906 1.198 109 HG2 LYS 25 HG2 LYS 25 -18.599 -21.378 -0.408 110 HG3 LYS 25 HG3 LYS 25 -18.758 -19.780 -1.131 111 HD2 LYS 25 HD2 LYS 25 -16.892 -19.020 0.356 112 HD3 LYS 25 HD3 LYS 25 -16.706 -20.690 0.899 113 HE2 LYS 25 HE2 LYS 25 -16.459 -19.754 -1.961 114 HE3 LYS 25 HE1 LYS 25 -15.106 -20.082 -0.883 115 HZ1 LYS 25 HZ1 LYS 25 -17.134 -22.137 -1.683 116 HZ2 LYS 25 HZ2 LYS 25 -15.691 -22.397 -0.847 117 HZ3 LYS 25 HZ3 LYS 25 -15.654 -21.877 -2.442 118 H LYS 26 H LYS 26 -17.687 -22.450 2.988 119 HA LYS 26 HA LYS 26 -16.389 -20.659 4.844 120 HB2 LYS 26 HB2 LYS 26 -16.719 -23.019 5.411 121 HB3 LYS 26 HB3 LYS 26 -15.766 -23.500 4.022 122 HG2 LYS 26 HG2 LYS 26 -14.463 -23.713 6.052 123 HG3 LYS 26 HG3 LYS 26 -13.786 -22.448 5.037 124 HD2 LYS 26 HD2 LYS 26 -14.805 -20.742 6.389 125 HD3 LYS 26 HD3 LYS 26 -15.668 -21.952 7.349 126 HE2 LYS 26 HE2 LYS 26 -13.699 -21.121 8.542 127 HE3 LYS 26 HE1 LYS 26 -13.528 -22.839 8.141 128 HZ1 LYS 26 HZ1 LYS 26 -12.336 -20.603 6.603 129 HZ2 LYS 26 HZ2 LYS 26 -12.035 -22.260 6.343 130 HZ3 LYS 26 HZ3 LYS 26 -11.524 -21.500 7.760 131 H SER 27 H SER 27 -14.549 -19.532 4.467 132 HA SER 27 HA SER 27 -13.729 -19.293 1.770 133 HB2 SER 27 HB2 SER 27 -12.418 -18.097 4.208 134 HB3 SER 27 HB3 SER 27 -12.314 -17.499 2.545 135 HG SER 27 HG SER 27 -14.621 -17.623 4.185 136 H ASN 28 H ASN 28 -12.879 -21.143 1.064 137 HA ASN 28 HA ASN 28 -10.912 -22.722 2.308 138 HB2 ASN 28 HB2 ASN 28 -12.352 -23.644 0.605 139 HB3 ASN 28 HB3 ASN 28 -11.743 -22.497 -0.589 140 HD21 ASN 28 HD21 ASN 28 -9.908 -22.961 -1.673 141 HD22 ASN 28 HD22 ASN 28 -8.989 -24.408 -1.470 142 H ALA 29 H ALA 29 -10.744 -20.067 0.049 143 HA ALA 29 HA ALA 29 -8.045 -20.335 -0.678 144 HB1 ALA 29 HB1 ALA 29 -8.222 -18.046 -1.516 145 HB2 ALA 29 HB2 ALA 29 -9.772 -17.861 -0.688 146 HB3 ALA 29 HB3 ALA 29 -9.602 -19.028 -1.999 147 H SER 30 H SER 30 -6.518 -20.433 0.795 148 HA SER 30 HA SER 30 -6.219 -18.163 2.610 149 HB2 SER 30 HB2 SER 30 -5.639 -21.089 3.149 150 HB3 SER 30 HB3 SER 30 -5.093 -19.764 4.195 151 HG SER 30 HG SER 30 -7.240 -19.184 4.442 152 H ALA 31 H ALA 31 -4.012 -17.622 3.046 153 HA ALA 31 HA ALA 31 -2.178 -18.454 0.893 154 HB1 ALA 31 HB1 ALA 31 -1.551 -16.083 0.633 155 HB2 ALA 31 HB2 ALA 31 -2.778 -15.645 1.831 156 HB3 ALA 31 HB3 ALA 31 -3.258 -16.363 0.299 157 H GLN 32 H GLN 32 -0.209 -16.551 1.703 158 HA GLN 32 HA GLN 32 1.255 -17.944 3.585 159 HB2 GLN 32 HB2 GLN 32 2.631 -15.773 3.713 160 HB3 GLN 32 HB3 GLN 32 2.486 -16.557 2.153 161 HG2 GLN 32 HG2 GLN 32 0.631 -14.304 2.880 162 HG3 GLN 32 HG3 GLN 32 2.279 -13.970 2.367 163 HE21 GLN 32 HE21 GLN 32 1.452 -12.829 0.491 164 HE22 GLN 32 HE22 GLN 32 0.800 -13.706 -0.822 165 H SER 33 H SER 33 1.730 -17.648 5.778 166 HA SER 33 HA SER 33 -0.506 -17.146 7.375 167 HB2 SER 33 HB2 SER 33 2.396 -17.279 8.209 168 HB3 SER 33 HB3 SER 33 0.988 -17.574 9.241 169 HG SER 33 HG SER 33 2.252 -19.371 8.056 170 H ALA 34 H ALA 34 2.466 -15.213 6.934 171 HA ALA 34 HA ALA 34 1.040 -12.911 8.035 172 HB1 ALA 34 HB1 ALA 34 3.234 -11.822 8.055 173 HB2 ALA 34 HB2 ALA 34 3.945 -13.218 7.246 174 HB3 ALA 34 HB3 ALA 34 3.335 -13.375 8.892 175 H TRP 35 H TRP 35 0.718 -11.098 6.648 176 HA TRP 35 HA TRP 35 0.348 -12.013 3.976 177 HB2 TRP 35 HB2 TRP 35 -1.361 -10.578 4.976 178 HB3 TRP 35 HB3 TRP 35 -0.185 -9.277 5.140 179 HD1 TRP 35 HD TRP 35 -0.414 -7.517 3.309 180 HE1 TRP 35 HE1 TRP 35 -1.203 -7.485 0.848 181 HE3 TRP 35 HE3 TRP 35 -1.471 -12.486 2.713 182 HZ2 TRP 35 HZ2 TRP 35 -2.128 -9.311 -1.077 183 HZ3 TRP 35 HZ3 TRP 35 -2.294 -13.252 0.532 184 HH2 TRP 35 HH TRP 35 -2.619 -11.706 -1.322 185 H ASP 36 H ASP 36 2.059 -12.309 2.876 186 HA ASP 36 HA ASP 36 4.116 -10.281 2.630 187 HB2 ASP 36 HB2 ASP 36 4.576 -12.801 2.559 188 HB3 ASP 36 HB3 ASP 36 3.792 -12.775 0.977 189 H ILE 37 H ILE 37 3.920 -8.695 1.281 190 HA ILE 37 HA ILE 37 1.513 -8.468 -0.243 191 HB ILE 37 HB ILE 37 2.246 -6.203 -0.758 192 HG12 ILE 37 HG12 ILE 37 4.745 -6.894 0.807 193 HG13 ILE 37 HG11 ILE 37 4.668 -6.758 -0.939 194 HG21 ILE 37 HG21 ILE 37 2.588 -7.002 2.135 195 HG22 ILE 37 HG22 ILE 37 1.066 -6.589 1.346 196 HG23 ILE 37 HG23 ILE 37 2.303 -5.355 1.580 197 HD11 ILE 37 HD11 ILE 37 4.120 -4.551 1.028 198 HD12 ILE 37 HD31 ILE 37 5.594 -4.772 0.080 199 HD13 ILE 37 HD21 ILE 37 4.075 -4.414 -0.738 200 H VAL 38 H VAL 38 1.554 -7.489 -2.342 201 HA VAL 38 HA VAL 38 3.639 -8.502 -4.140 202 HB VAL 38 HB VAL 38 0.634 -8.339 -4.588 203 HG11 VAL 38 HG11 VAL 38 2.772 -9.159 -6.547 204 HG12 VAL 38 HG12 VAL 38 1.756 -7.726 -6.651 205 HG13 VAL 38 HG13 VAL 38 1.043 -9.323 -6.810 206 HG21 VAL 38 HG21 VAL 38 1.333 -10.275 -3.267 207 HG22 VAL 38 HG22 VAL 38 2.432 -10.760 -4.572 208 HG23 VAL 38 HG23 VAL 38 0.689 -10.756 -4.837 209 H VAL 39 H VAL 39 4.245 -6.965 -5.716 210 HA VAL 39 HA VAL 39 3.972 -4.247 -5.027 211 HB VAL 39 HB VAL 39 4.917 -5.365 -7.684 212 HG11 VAL 39 HG11 VAL 39 4.501 -2.971 -7.850 213 HG12 VAL 39 HG12 VAL 39 6.228 -3.297 -7.892 214 HG13 VAL 39 HG13 VAL 39 5.480 -2.683 -6.411 215 HG21 VAL 39 HG21 VAL 39 6.417 -4.766 -5.147 216 HG22 VAL 39 HG22 VAL 39 7.178 -5.126 -6.695 217 HG23 VAL 39 HG23 VAL 39 6.187 -6.351 -5.894 218 H ASP 40 H ASP 40 1.691 -6.090 -6.437 219 HA ASP 40 HA ASP 40 0.372 -3.934 -7.906 220 HB2 ASP 40 HB2 ASP 40 -0.637 -6.721 -7.310 221 HB3 ASP 40 HB3 ASP 40 -1.387 -5.494 -8.333 222 H ASN 41 H ASN 41 0.833 -4.600 -4.781 223 HA ASN 41 HA ASN 41 -1.800 -3.550 -4.001 224 HB2 ASN 41 HB2 ASN 41 0.126 -5.318 -2.499 225 HB3 ASN 41 HB3 ASN 41 -1.177 -4.473 -1.694 226 HD21 ASN 41 HD21 ASN 41 -1.447 -5.937 -4.851 227 HD22 ASN 41 HD22 ASN 41 -2.482 -7.241 -4.428 228 H CYS 42 H CYS 42 -1.747 -1.639 -3.003 229 HA CYS 42 HA CYS 42 0.720 -0.184 -2.576 230 HB2 CYS 42 HB2 CYS 42 -1.662 0.821 -2.962 231 HB3 CYS 42 HB3 CYS 42 -1.953 0.360 -1.316 232 H ALA 43 H ALA 43 2.001 -0.512 -0.835 233 HA ALA 43 HA ALA 43 1.009 -2.222 1.352 234 HB1 ALA 43 HB1 ALA 43 3.334 -2.349 2.027 235 HB2 ALA 43 HB2 ALA 43 3.773 -1.132 0.824 236 HB3 ALA 43 HB3 ALA 43 3.172 -2.713 0.307 237 H ILE 44 H ILE 44 1.360 1.049 0.662 238 HA ILE 44 HA ILE 44 2.139 1.973 3.227 239 HB ILE 44 HB ILE 44 0.698 3.423 0.998 240 HG12 ILE 44 HG12 ILE 44 3.651 3.128 1.616 241 HG13 ILE 44 HG11 ILE 44 2.770 2.385 0.327 242 HG21 ILE 44 HG21 ILE 44 2.311 4.491 3.337 243 HG22 ILE 44 HG22 ILE 44 0.561 4.598 3.176 244 HG23 ILE 44 HG23 ILE 44 1.605 5.459 2.046 245 HD11 ILE 44 HD11 ILE 44 3.144 5.351 0.623 246 HD12 ILE 44 HD31 ILE 44 4.020 4.296 -0.486 247 HD13 ILE 44 HD21 ILE 44 2.279 4.537 -0.678 248 H CYS 45 H CYS 45 -0.961 1.697 1.564 249 HA CYS 45 HA CYS 45 -2.426 2.168 4.071 250 HB2 CYS 45 HB2 CYS 45 -4.411 2.059 2.522 251 HB3 CYS 45 HB3 CYS 45 -3.252 3.332 2.091 252 H ARG 46 H ARG 46 -1.417 -0.135 1.821 253 HA ARG 46 HA ARG 46 -1.390 -2.284 1.593 254 HB2 ARG 46 HB2 ARG 46 -0.994 -2.254 4.076 255 HB3 ARG 46 HB3 ARG 46 -2.697 -2.634 4.291 256 HG2 ARG 46 HG2 ARG 46 -2.402 -4.667 2.983 257 HG3 ARG 46 HG3 ARG 46 -0.695 -4.279 2.769 258 HD2 ARG 46 HD2 ARG 46 -2.081 -4.825 5.384 259 HD3 ARG 46 HD3 ARG 46 -0.993 -5.895 4.491 260 HE ARG 46 HE ARG 46 0.354 -3.503 4.964 261 HH11 ARG 46 HH11 ARG 46 -0.905 -6.236 6.812 262 HH12 ARG 46 HH12 ARG 46 0.205 -6.056 8.101 263 HH21 ARG 46 HH21 ARG 46 1.815 -3.218 6.703 264 HH22 ARG 46 HH22 ARG 46 1.789 -4.266 8.054 265 H ASN 47 H ASN 47 -3.071 -1.147 0.229 266 HA ASN 47 HA ASN 47 -5.360 -2.983 0.154 267 HB2 ASN 47 HB2 ASN 47 -5.906 -0.567 1.018 268 HB3 ASN 47 HB3 ASN 47 -5.665 -0.075 -0.652 269 HD21 ASN 47 HD21 ASN 47 -8.044 0.032 1.039 270 HD22 ASN 47 HD22 ASN 47 -9.271 -0.848 0.223 271 H HIS 48 H HIS 48 -6.355 -2.602 -2.189 272 HA HIS 48 HA HIS 48 -4.255 -3.620 -3.841 273 HB2 HIS 48 HB2 HIS 48 -6.781 -4.207 -3.871 274 HB3 HIS 48 HB3 HIS 48 -6.935 -2.829 -4.962 275 HD2 HIS 48 HD2 HIS 48 -5.281 -3.151 -7.301 276 HE1 HIS 48 HE1 HIS 48 -5.456 -7.403 -7.093 277 HE2 HIS 48 HE2 HIS 48 -5.361 -5.408 -8.624 278 H ILE 49 H ILE 49 -3.502 -2.844 -5.897 279 HA ILE 49 HA ILE 49 -2.218 -0.441 -5.638 280 HB ILE 49 HB ILE 49 -1.347 -2.166 -7.050 281 HG12 ILE 49 HG12 ILE 49 -0.778 -0.885 -9.082 282 HG13 ILE 49 HG11 ILE 49 -2.033 0.263 -8.674 283 HG21 ILE 49 HG21 ILE 49 -3.697 -1.704 -8.874 284 HG22 ILE 49 HG22 ILE 49 -3.349 -3.156 -7.931 285 HG23 ILE 49 HG23 ILE 49 -2.293 -2.695 -9.257 286 HD11 ILE 49 HD11 ILE 49 0.311 -0.350 -6.949 287 HD12 ILE 49 HD31 ILE 49 0.139 1.067 -8.012 288 HD13 ILE 49 HD21 ILE 49 -0.983 0.860 -6.673 289 H MET 50 H MET 50 -5.073 -0.945 -7.723 290 HA MET 50 HA MET 50 -5.013 1.927 -8.067 291 HB2 MET 50 HB2 MET 50 -4.085 0.931 -9.974 292 HB3 MET 50 HB3 MET 50 -5.340 -0.251 -10.170 293 HG2 MET 50 HG2 MET 50 -6.865 1.658 -10.783 294 HG3 MET 50 HG3 MET 50 -5.505 2.758 -10.577 295 HE1 MET 50 HE1 MET 50 -7.212 2.621 -13.267 296 HE2 MET 50 HE2 MET 50 -5.941 2.656 -14.481 297 HE3 MET 50 HE3 MET 50 -5.829 3.691 -13.057 298 H ASP 51 H ASP 51 -6.293 1.154 -6.119 299 HA ASP 51 HA ASP 51 -9.181 1.078 -6.729 300 HB2 ASP 51 HB2 ASP 51 -8.077 -1.194 -6.091 301 HB3 ASP 51 HB3 ASP 51 -7.924 -0.520 -4.481 302 H LEU 52 H LEU 52 -9.999 1.170 -4.059 303 HA LEU 52 HA LEU 52 -9.342 3.828 -3.217 304 HB2 LEU 52 HB2 LEU 52 -11.014 1.627 -2.055 305 HB3 LEU 52 HB3 LEU 52 -10.822 3.189 -1.278 306 HG LEU 52 HG LEU 52 -11.896 2.865 -4.080 307 HD11 LEU 52 HD11 LEU 52 -14.027 2.682 -3.300 308 HD12 LEU 52 HD12 LEU 52 -13.690 3.645 -1.897 309 HD13 LEU 52 HD13 LEU 52 -13.226 1.920 -1.911 310 HD21 LEU 52 HD21 LEU 52 -10.992 5.050 -3.663 311 HD22 LEU 52 HD22 LEU 52 -11.777 5.096 -2.089 312 HD23 LEU 52 HD23 LEU 52 -12.754 5.184 -3.537 313 H CYS 53 H CYS 53 -8.339 4.462 -1.295 314 HA CYS 53 HA CYS 53 -6.174 2.785 -0.393 315 HB2 CYS 53 HB2 CYS 53 -7.027 5.477 0.661 316 HB3 CYS 53 HB3 CYS 53 -5.437 4.747 0.758 317 H ILE 54 H ILE 54 -5.947 3.619 2.196 318 HA ILE 54 HA ILE 54 -7.283 1.830 3.857 319 HB ILE 54 HB ILE 54 -6.867 3.750 5.621 320 HG12 ILE 54 HG12 ILE 54 -5.173 4.645 3.251 321 HG13 ILE 54 HG11 ILE 54 -6.358 5.534 4.078 322 HG21 ILE 54 HG21 ILE 54 -5.792 1.628 5.664 323 HG22 ILE 54 HG22 ILE 54 -4.636 2.931 5.971 324 HG23 ILE 54 HG23 ILE 54 -4.659 2.129 4.400 325 HD11 ILE 54 HD11 ILE 54 -3.813 4.680 5.377 326 HD12 ILE 54 HD31 ILE 54 -4.182 6.268 4.684 327 HD13 ILE 54 HD21 ILE 54 -5.103 5.672 6.073 328 H GLU 55 H GLU 55 -7.862 5.249 4.277 329 HA GLU 55 HA GLU 55 -10.410 4.824 5.450 330 HB2 GLU 55 HB2 GLU 55 -9.106 7.343 4.469 331 HB3 GLU 55 HB3 GLU 55 -10.453 7.218 5.578 332 HG2 GLU 55 HG2 GLU 55 -8.956 6.004 7.192 333 HG3 GLU 55 HG3 GLU 55 -7.660 6.270 6.074 334 H CYS 56 H CYS 56 -9.141 5.642 2.353 335 HA CYS 56 HA CYS 56 -11.233 7.131 1.320 336 HB2 CYS 56 HB2 CYS 56 -9.420 5.245 -0.153 337 HB3 CYS 56 HB3 CYS 56 -10.457 6.411 -0.943 338 H GLN 57 H GLN 57 -10.947 3.569 1.290 339 HA GLN 57 HA GLN 57 -13.272 3.126 -0.201 340 HB2 GLN 57 HB2 GLN 57 -13.268 0.845 0.859 341 HB3 GLN 57 HB3 GLN 57 -11.800 1.301 -0.010 342 HG2 GLN 57 HG2 GLN 57 -10.961 0.312 1.844 343 HG3 GLN 57 HG3 GLN 57 -10.977 1.976 2.358 344 HE21 GLN 57 HE21 GLN 57 -11.118 1.573 4.519 345 HE22 GLN 57 HE22 GLN 57 -12.504 0.913 5.295 346 H ALA 58 H ALA 58 -12.913 3.541 3.234 347 HA ALA 58 HA ALA 58 -15.699 3.148 3.827 348 HB1 ALA 58 HB1 ALA 58 -15.100 3.936 6.034 349 HB2 ALA 58 HB2 ALA 58 -13.570 4.546 5.428 350 HB3 ALA 58 HB3 ALA 58 -13.860 2.803 5.479 351 H ASN 59 H ASN 59 -13.538 5.775 3.222 352 HA ASN 59 HA ASN 59 -14.979 7.999 4.096 353 HB2 ASN 59 HB2 ASN 59 -12.554 7.844 3.641 354 HB3 ASN 59 HB3 ASN 59 -12.946 7.725 1.931 355 HD21 ASN 59 HD21 ASN 59 -12.626 9.752 4.645 356 HD22 ASN 59 HD22 ASN 59 -12.766 11.256 3.780 357 H GLN 60 H GLN 60 -14.693 6.478 0.908 358 HA GLN 60 HA GLN 60 -15.495 6.949 -1.132 359 HB2 GLN 60 HB2 GLN 60 -18.003 7.450 0.491 360 HB3 GLN 60 HB3 GLN 60 -17.974 7.307 -1.260 361 HG2 GLN 60 HG2 GLN 60 -17.134 5.020 -1.061 362 HG3 GLN 60 HG3 GLN 60 -17.133 5.173 0.693 363 HE21 GLN 60 HE21 GLN 60 -18.578 3.326 -1.076 364 HE22 GLN 60 HE22 GLN 60 -20.242 3.485 -0.682 365 H ALA 61 H ALA 61 -14.199 8.682 -1.585 366 HA ALA 61 HA ALA 61 -15.008 11.333 -0.743 367 HB1 ALA 61 HB1 ALA 61 -12.859 12.044 -1.599 368 HB2 ALA 61 HB2 ALA 61 -12.578 10.451 -2.294 369 HB3 ALA 61 HB3 ALA 61 -12.660 10.648 -0.540 370 H SER 62 H SER 62 -14.902 13.098 -2.321 371 HA SER 62 HA SER 62 -16.457 12.494 -4.660 372 HB2 SER 62 HB2 SER 62 -16.770 14.608 -3.413 373 HB3 SER 62 HB3 SER 62 -15.125 15.084 -3.812 374 HG SER 62 HG SER 62 -15.719 15.645 -5.698 375 H ALA 63 H ALA 63 -15.133 11.057 -5.722 376 HA ALA 63 HA ALA 63 -13.390 12.039 -7.695 377 HB1 ALA 63 HB1 ALA 63 -11.293 10.988 -6.920 378 HB2 ALA 63 HB2 ALA 63 -12.070 10.585 -5.386 379 HB3 ALA 63 HB3 ALA 63 -11.808 12.273 -5.823 380 H THR 64 H THR 64 -11.937 9.716 -8.191 381 HA THR 64 HA THR 64 -13.961 7.828 -8.847 382 HB THR 64 HB THR 64 -11.818 6.539 -9.591 383 HG1 THR 64 HG3 THR 64 -10.190 7.575 -8.704 384 HG21 THR 64 HG21 THR 64 -11.676 7.951 -11.630 385 HG22 THR 64 HG22 THR 64 -12.654 9.175 -10.808 386 HG23 THR 64 HG23 THR 64 -13.334 7.583 -11.161 387 H SER 65 H SER 65 -14.388 5.906 -7.838 388 HA SER 65 HA SER 65 -12.742 5.254 -5.478 389 HB2 SER 65 HB2 SER 65 -15.627 4.537 -5.983 390 HB3 SER 65 HB3 SER 65 -14.700 4.189 -4.511 391 HG SER 65 HG SER 65 -15.152 6.755 -5.590 392 H GLU 66 H GLU 66 -13.682 4.166 -8.528 393 HA GLU 66 HA GLU 66 -13.275 1.388 -8.202 394 HB2 GLU 66 HB2 GLU 66 -14.291 2.555 -10.173 395 HB3 GLU 66 HB3 GLU 66 -12.694 3.155 -10.569 396 HG2 GLU 66 HG2 GLU 66 -11.898 0.909 -10.966 397 HG3 GLU 66 HG3 GLU 66 -13.479 0.259 -10.505 398 H GLU 67 H GLU 67 -11.272 4.190 -8.753 399 HA GLU 67 HA GLU 67 -8.930 2.873 -7.753 400 HB2 GLU 67 HB2 GLU 67 -7.573 3.993 -9.465 401 HB3 GLU 67 HB3 GLU 67 -8.651 2.819 -10.207 402 HG2 GLU 67 HG2 GLU 67 -10.118 4.566 -10.960 403 HG3 GLU 67 HG3 GLU 67 -9.192 5.779 -10.071 404 H CYS 68 H CYS 68 -8.287 4.202 -6.164 405 HA CYS 68 HA CYS 68 -9.254 6.859 -5.890 406 HB2 CYS 68 HB2 CYS 68 -8.500 5.617 -3.925 407 HB3 CYS 68 HB3 CYS 68 -6.874 5.492 -4.568 408 H THR 69 H THR 69 -5.862 6.689 -5.610 409 HA THR 69 HA THR 69 -5.394 7.744 -8.283 410 HB THR 69 HB THR 69 -3.755 9.362 -7.280 411 HG1 THR 69 HG3 THR 69 -5.115 9.247 -4.869 412 HG21 THR 69 HG21 THR 69 -6.625 9.731 -6.405 413 HG22 THR 69 HG22 THR 69 -5.957 10.163 -7.978 414 HG23 THR 69 HG23 THR 69 -5.431 11.022 -6.534 415 H VAL 70 H VAL 70 -3.258 7.222 -9.042 416 HA VAL 70 HA VAL 70 -1.776 5.337 -7.366 417 HB VAL 70 HB VAL 70 -3.416 3.982 -8.610 418 HG11 VAL 70 HG11 VAL 70 -2.055 5.054 -11.056 419 HG12 VAL 70 HG12 VAL 70 -3.738 5.326 -10.547 420 HG13 VAL 70 HG13 VAL 70 -3.212 3.715 -11.027 421 HG21 VAL 70 HG21 VAL 70 -1.283 2.995 -8.015 422 HG22 VAL 70 HG22 VAL 70 -0.576 3.580 -9.520 423 HG23 VAL 70 HG23 VAL 70 -1.844 2.362 -9.562 424 H ALA 71 H ALA 71 0.386 5.125 -7.797 425 HA ALA 71 HA ALA 71 1.451 6.588 -10.101 426 HB1 ALA 71 HB1 ALA 71 3.210 7.524 -8.674 427 HB2 ALA 71 HB2 ALA 71 2.429 6.820 -7.258 428 HB3 ALA 71 HB3 ALA 71 1.612 8.083 -8.184 429 H TRP 72 H TRP 72 3.168 5.677 -11.060 430 HA TRP 72 HA TRP 72 3.936 3.056 -10.095 431 HB2 TRP 72 HB2 TRP 72 4.667 4.396 -12.645 432 HB3 TRP 72 HB3 TRP 72 4.745 2.695 -12.294 433 HD1 TRP 72 HD TRP 72 2.858 4.696 -14.477 434 HE1 TRP 72 HE1 TRP 72 0.478 3.890 -14.896 435 HE3 TRP 72 HE3 TRP 72 2.407 1.627 -10.486 436 HZ2 TRP 72 HZ2 TRP 72 -1.396 2.143 -13.665 437 HZ3 TRP 72 HZ3 TRP 72 0.265 0.401 -10.154 438 HH2 TRP 72 HH TRP 72 -1.585 0.666 -11.714 439 H GLY 73 H GLY 73 6.086 2.601 -9.672 440 HA2 GLY 73 HA2 GLY 73 7.774 4.943 -9.249 441 HA3 GLY 73 HA3 GLY 73 7.906 3.381 -8.444 442 H VAL 74 H VAL 74 9.739 5.109 -10.154 443 HA VAL 74 HA VAL 74 10.306 3.721 -12.551 444 HB VAL 74 HB VAL 74 12.182 5.329 -10.782 445 HG11 VAL 74 HG11 VAL 74 13.557 5.649 -12.807 446 HG12 VAL 74 HG12 VAL 74 12.518 4.510 -13.667 447 HG13 VAL 74 HG13 VAL 74 13.483 3.963 -12.296 448 HG21 VAL 74 HG21 VAL 74 10.288 6.643 -11.527 449 HG22 VAL 74 HG22 VAL 74 10.572 6.135 -13.181 450 HG23 VAL 74 HG23 VAL 74 11.752 7.170 -12.367 451 H CYS 75 H CYS 75 10.943 3.210 -9.264 452 HA CYS 75 HA CYS 75 13.194 1.472 -9.430 453 HB2 CYS 75 HB2 CYS 75 12.597 1.294 -6.976 454 HB3 CYS 75 HB3 CYS 75 12.983 2.906 -7.584 455 H ASN 76 H ASN 76 10.528 0.784 -10.769 456 HA ASN 76 HA ASN 76 9.365 -1.084 -11.299 457 HB2 ASN 76 HB2 ASN 76 11.653 -2.124 -11.070 458 HB3 ASN 76 HB3 ASN 76 11.220 -2.552 -9.426 459 HD21 ASN 76 HD21 ASN 76 11.367 -4.761 -9.780 460 HD22 ASN 76 HD22 ASN 76 10.262 -5.634 -10.755 461 H HIS 77 H HIS 77 8.436 0.569 -9.409 462 HA HIS 77 HA HIS 77 7.073 -1.257 -7.590 463 HB2 HIS 77 HB2 HIS 77 8.391 1.300 -6.951 464 HB3 HIS 77 HB3 HIS 77 6.889 0.922 -6.105 465 HD2 HIS 77 HD2 HIS 77 7.601 -2.339 -5.814 466 HE1 HIS 77 HE1 HIS 77 10.782 -0.863 -3.453 467 HE2 HIS 77 HE2 HIS 77 9.575 -2.903 -4.320 468 H ALA 78 H ALA 78 5.006 -0.360 -6.677 469 HA ALA 78 HA ALA 78 3.735 1.661 -8.246 470 HB1 ALA 78 HB1 ALA 78 2.703 -1.170 -8.085 471 HB2 ALA 78 HB2 ALA 78 3.350 -0.386 -9.524 472 HB3 ALA 78 HB3 ALA 78 1.854 0.205 -8.800 473 H PHE 79 H PHE 79 2.568 2.847 -6.840 474 HA PHE 79 HA PHE 79 1.340 1.591 -4.519 475 HB2 PHE 79 HB2 PHE 79 3.135 4.020 -4.384 476 HB3 PHE 79 HB3 PHE 79 2.126 3.476 -3.065 477 HD1 PHE 79 HD2 PHE 79 2.749 1.312 -1.879 478 HD2 PHE 79 HD3 PHE 79 5.205 3.030 -4.910 479 HE1 PHE 79 HE2 PHE 79 4.683 -0.120 -1.172 480 HE2 PHE 79 HE1 PHE 79 7.077 1.614 -4.189 481 HZ PHE 79 HZ PHE 79 6.800 0.063 -2.341 482 H HIS 80 H HIS 80 -0.161 3.319 -3.436 483 HA HIS 80 HA HIS 80 -1.683 4.590 -5.480 484 HB2 HIS 80 HB2 HIS 80 -1.738 4.592 -2.489 485 HB3 HIS 80 HB3 HIS 80 -2.657 5.758 -3.401 486 HD2 HIS 80 HD2 HIS 80 -4.042 3.842 -5.625 487 HE1 HIS 80 HE1 HIS 80 -5.406 1.611 -2.308 488 HE2 HIS 80 HE2 HIS 80 -5.990 2.621 -4.458 489 H PHE 81 H PHE 81 -1.617 6.659 -6.086 490 HA PHE 81 HA PHE 81 0.664 8.218 -5.611 491 HB2 PHE 81 HB2 PHE 81 -0.697 8.569 -7.584 492 HB3 PHE 81 HB3 PHE 81 -2.070 9.017 -6.588 493 HD1 PHE 81 HD3 PHE 81 1.389 10.045 -7.501 494 HD2 PHE 81 HD2 PHE 81 -2.400 11.270 -6.003 495 HE1 PHE 81 HE1 PHE 81 2.096 12.394 -7.622 496 HE2 PHE 81 HE2 PHE 81 -1.698 13.622 -6.120 497 HZ PHE 81 HZ PHE 81 0.554 14.185 -6.940 498 H HIS 82 H HIS 82 -2.524 8.249 -4.177 499 HA HIS 82 HA HIS 82 -2.236 10.457 -2.474 500 HB2 HIS 82 HB2 HIS 82 -4.385 9.374 -2.860 501 HB3 HIS 82 HB3 HIS 82 -3.808 7.892 -2.135 502 HD2 HIS 82 HD2 HIS 82 -2.915 10.831 0.143 503 HE1 HIS 82 HE1 HIS 82 -6.588 9.252 1.563 504 HE2 HIS 82 HE2 HIS 82 -4.488 10.401 2.178 505 H CYS 83 H CYS 83 -1.537 6.977 -1.865 506 HA CYS 83 HA CYS 83 -0.762 7.411 0.801 507 HB2 CYS 83 HB2 CYS 83 -0.133 5.053 -0.995 508 HB3 CYS 83 HB3 CYS 83 -0.042 5.166 0.744 509 H ILE 84 H ILE 84 1.029 6.920 -2.237 510 HA ILE 84 HA ILE 84 3.518 6.881 -0.944 511 HB ILE 84 HB ILE 84 3.142 5.965 -3.272 512 HG12 ILE 84 HG12 ILE 84 5.355 6.768 -4.160 513 HG13 ILE 84 HG11 ILE 84 5.380 7.918 -2.843 514 HG21 ILE 84 HG21 ILE 84 3.331 8.841 -4.082 515 HG22 ILE 84 HG22 ILE 84 1.895 7.811 -4.153 516 HG23 ILE 84 HG23 ILE 84 3.293 7.440 -5.172 517 HD11 ILE 84 HD11 ILE 84 5.295 4.937 -2.494 518 HD12 ILE 84 HD31 ILE 84 6.734 5.942 -2.361 519 HD13 ILE 84 HD21 ILE 84 5.417 6.134 -1.211 520 H SER 85 H SER 85 1.641 9.511 -2.322 521 HA SER 85 HA SER 85 3.646 11.487 -2.153 522 HB2 SER 85 HB2 SER 85 0.654 11.812 -1.918 523 HB3 SER 85 HB3 SER 85 1.787 13.141 -2.143 524 HG SER 85 HG SER 85 1.051 11.085 -3.869 525 H ARG 86 H ARG 86 1.245 10.444 0.237 526 HA ARG 86 HA ARG 86 1.960 12.300 2.268 527 HB2 ARG 86 HB2 ARG 86 0.804 9.505 2.468 528 HB3 ARG 86 HB3 ARG 86 0.823 10.673 3.786 529 HG2 ARG 86 HG2 ARG 86 -0.617 11.033 1.164 530 HG3 ARG 86 HG3 ARG 86 -1.358 10.473 2.657 531 HD2 ARG 86 HD2 ARG 86 -0.869 12.578 3.734 532 HD3 ARG 86 HD3 ARG 86 0.040 13.125 2.332 533 HE ARG 86 HE ARG 86 -2.012 13.121 1.075 534 HH11 ARG 86 HH11 ARG 86 -2.366 12.992 4.625 535 HH12 ARG 86 HH12 ARG 86 -3.928 13.694 4.593 536 HH21 ARG 86 HH21 ARG 86 -4.135 14.091 1.095 537 HH22 ARG 86 HH22 ARG 86 -4.943 14.369 2.558 538 H TRP 87 H TRP 87 3.017 9.084 1.388 539 HA TRP 87 HA TRP 87 4.730 8.518 3.503 540 HB2 TRP 87 HB2 TRP 87 4.030 6.810 1.945 541 HB3 TRP 87 HB3 TRP 87 4.720 7.691 0.601 542 HD1 TRP 87 HD TRP 87 7.166 7.117 -0.039 543 HE1 TRP 87 HE1 TRP 87 8.960 5.614 0.990 544 HE3 TRP 87 HE3 TRP 87 4.839 5.993 4.353 545 HZ2 TRP 87 HZ2 TRP 87 9.358 4.130 3.367 546 HZ3 TRP 87 HZ3 TRP 87 5.997 4.509 5.970 547 HH2 TRP 87 HH TRP 87 8.206 3.597 5.473 548 H LEU 88 H LEU 88 5.305 10.003 0.374 549 HA LEU 88 HA LEU 88 8.066 10.396 0.671 550 HB2 LEU 88 HB2 LEU 88 6.030 11.623 -1.136 551 HB3 LEU 88 HB3 LEU 88 7.750 11.878 -1.320 552 HG LEU 88 HG LEU 88 6.440 9.177 -1.377 553 HD11 LEU 88 HD11 LEU 88 7.272 10.967 -3.645 554 HD12 LEU 88 HD12 LEU 88 5.634 10.422 -3.189 555 HD13 LEU 88 HD13 LEU 88 6.818 9.257 -3.747 556 HD21 LEU 88 HD21 LEU 88 9.222 10.057 -2.165 557 HD22 LEU 88 HD22 LEU 88 8.583 8.434 -2.284 558 HD23 LEU 88 HD23 LEU 88 8.814 9.170 -0.704 559 H LYS 89 H LYS 89 5.363 12.275 1.686 560 HA LYS 89 HA LYS 89 6.718 14.717 2.050 561 HB2 LYS 89 HB2 LYS 89 4.380 13.590 3.577 562 HB3 LYS 89 HB3 LYS 89 4.931 15.256 3.686 563 HG2 LYS 89 HG2 LYS 89 3.863 13.903 1.217 564 HG3 LYS 89 HG3 LYS 89 3.019 15.045 2.245 565 HD2 LYS 89 HD2 LYS 89 4.594 16.791 1.698 566 HD3 LYS 89 HD3 LYS 89 5.551 15.665 0.722 567 HE2 LYS 89 HE2 LYS 89 3.632 15.358 -0.773 568 HE3 LYS 89 HE1 LYS 89 2.706 16.495 0.197 569 HZ1 LYS 89 HZ1 LYS 89 5.276 17.216 -1.083 570 HZ2 LYS 89 HZ2 LYS 89 4.094 18.279 -0.471 571 HZ3 LYS 89 HZ3 LYS 89 3.801 17.367 -1.885 572 H THR 90 H THR 90 6.381 11.836 4.026 573 HA THR 90 HA THR 90 8.167 13.112 5.954 574 HB THR 90 HB THR 90 6.063 12.339 6.908 575 HG1 THR 90 HG3 THR 90 8.299 12.078 7.948 576 HG21 THR 90 HG21 THR 90 6.973 9.582 6.083 577 HG22 THR 90 HG22 THR 90 5.573 10.447 5.466 578 HG23 THR 90 HG23 THR 90 5.609 9.910 7.144 579 H ARG 91 H ARG 91 8.379 10.848 3.455 580 HA ARG 91 HA ARG 91 10.885 9.726 4.562 581 HB2 ARG 91 HB2 ARG 91 8.884 8.248 2.836 582 HB3 ARG 91 HB3 ARG 91 10.443 7.681 3.341 583 HG2 ARG 91 HG2 ARG 91 8.289 8.392 5.295 584 HG3 ARG 91 HG3 ARG 91 8.464 6.786 4.606 585 HD2 ARG 91 HD2 ARG 91 10.713 6.625 5.561 586 HD3 ARG 91 HD3 ARG 91 10.576 8.262 6.195 587 HE ARG 91 HE ARG 91 8.433 7.043 7.251 588 HH11 ARG 91 HH11 ARG 91 11.865 6.103 7.218 589 HH12 ARG 91 HH12 ARG 91 11.752 5.254 8.685 590 HH21 ARG 91 HH21 ARG 91 8.315 5.938 9.214 591 HH22 ARG 91 HH22 ARG 91 9.707 5.206 9.911 592 H GLN 92 H GLN 92 12.524 9.366 3.085 593 HA GLN 92 HA GLN 92 12.208 10.799 0.535 594 HB2 GLN 92 HB2 GLN 92 14.621 10.140 2.183 595 HB3 GLN 92 HB3 GLN 92 14.725 10.784 0.560 596 HG2 GLN 92 HG2 GLN 92 14.986 12.685 1.906 597 HG3 GLN 92 HG3 GLN 92 13.263 12.702 1.519 598 HE21 GLN 92 HE21 GLN 92 15.624 11.996 3.969 599 HE22 GLN 92 HE22 GLN 92 14.566 12.066 5.321 600 H VAL 93 H VAL 93 11.994 7.790 1.603 601 HA VAL 93 HA VAL 93 13.311 6.591 -0.729 602 HB VAL 93 HB VAL 93 13.985 4.658 0.750 603 HG11 VAL 93 HG11 VAL 93 15.200 7.374 1.317 604 HG12 VAL 93 HG12 VAL 93 15.634 6.287 -0.006 605 HG13 VAL 93 HG13 VAL 93 15.987 5.832 1.659 606 HG21 VAL 93 HG21 VAL 93 12.491 5.169 2.634 607 HG22 VAL 93 HG22 VAL 93 13.375 6.663 2.911 608 HG23 VAL 93 HG23 VAL 93 14.179 5.116 3.172 609 H CYS 94 H CYS 94 12.504 4.546 -1.355 610 HA CYS 94 HA CYS 94 9.757 4.040 -1.218 611 HB2 CYS 94 HB2 CYS 94 12.045 2.183 -1.598 612 HB3 CYS 94 HB3 CYS 94 10.394 1.711 -1.939 613 HA PRO 95 HA PRO 95 9.385 2.122 2.826 614 HB2 PRO 95 HB2 PRO 95 7.087 0.728 2.358 615 HB3 PRO 95 HB3 PRO 95 7.098 2.478 2.670 616 HG2 PRO 95 HG2 PRO 95 6.891 0.991 0.085 617 HG3 PRO 95 HG3 PRO 95 6.036 2.443 0.604 618 HD2 PRO 95 HD2 PRO 95 8.182 2.490 -1.055 619 HD3 PRO 95 HD3 PRO 95 7.841 3.852 -0.002 620 H LEU 96 H LEU 96 9.466 0.512 -0.154 621 HA LEU 96 HA LEU 96 9.916 -2.121 1.089 622 HB2 LEU 96 HB2 LEU 96 9.520 -1.449 -1.820 623 HB3 LEU 96 HB3 LEU 96 9.539 -3.049 -1.126 624 HG LEU 96 HG LEU 96 7.438 -0.949 -0.721 625 HD11 LEU 96 HD11 LEU 96 6.005 -2.508 -1.947 626 HD12 LEU 96 HD12 LEU 96 7.406 -3.570 -2.178 627 HD13 LEU 96 HD13 LEU 96 7.395 -1.966 -2.895 628 HD21 LEU 96 HD21 LEU 96 7.691 -2.238 1.320 629 HD22 LEU 96 HD22 LEU 96 7.650 -3.736 0.408 630 HD23 LEU 96 HD23 LEU 96 6.208 -2.714 0.493 631 H ASP 97 H ASP 97 11.201 -0.033 -1.461 632 HA ASP 97 HA ASP 97 13.597 -1.557 -1.886 633 HB2 ASP 97 HB2 ASP 97 12.579 1.028 -2.899 634 HB3 ASP 97 HB3 ASP 97 14.315 0.719 -3.061 635 H ASN 98 H ASN 98 12.791 1.164 0.155 636 HA ASN 98 HA ASN 98 13.963 2.573 1.419 637 HB2 ASN 98 HB2 ASN 98 15.819 0.189 1.544 638 HB3 ASN 98 HB3 ASN 98 16.110 1.658 2.485 639 HD21 ASN 98 HD21 ASN 98 14.260 -1.231 2.179 640 HD22 ASN 98 HD22 ASN 98 13.354 -1.073 3.640 641 H ARG 99 H ARG 99 14.163 2.756 -1.303 642 HA ARG 99 HA ARG 99 16.839 3.920 -1.787 643 HB2 ARG 99 HB2 ARG 99 14.893 2.622 -3.692 644 HB3 ARG 99 HB3 ARG 99 16.288 3.551 -4.201 645 HG2 ARG 99 HG2 ARG 99 16.434 1.154 -2.468 646 HG3 ARG 99 HG3 ARG 99 16.525 1.048 -4.244 647 HD2 ARG 99 HD2 ARG 99 18.430 2.760 -4.031 648 HD3 ARG 99 HD3 ARG 99 18.433 2.389 -2.316 649 HE ARG 99 HE ARG 99 19.384 0.365 -2.739 650 HH11 ARG 99 HH11 ARG 99 18.360 1.864 -5.778 651 HH12 ARG 99 HH12 ARG 99 19.271 0.830 -6.784 652 HH21 ARG 99 HH21 ARG 99 20.673 -1.101 -4.159 653 HH22 ARG 99 HH22 ARG 99 20.570 -0.873 -5.846 654 H GLU 100 H GLU 100 16.753 5.810 -3.167 655 HA GLU 100 HA GLU 100 14.870 7.772 -2.545 656 HB2 GLU 100 HB2 GLU 100 17.072 8.178 -3.588 657 HB3 GLU 100 HB3 GLU 100 16.499 7.450 -5.077 658 HG2 GLU 100 HG2 GLU 100 16.465 9.800 -5.351 659 HG3 GLU 100 HG3 GLU 100 14.795 9.258 -5.219 660 H TRP 101 H TRP 101 12.698 7.727 -2.995 661 HA TRP 101 HA TRP 101 11.708 5.993 -5.023 662 HB2 TRP 101 HB2 TRP 101 10.220 6.180 -3.161 663 HB3 TRP 101 HB3 TRP 101 10.386 7.905 -3.095 664 HD1 TRP 101 HD TRP 101 8.957 9.363 -4.788 665 HE1 TRP 101 HE1 TRP 101 6.899 8.849 -6.220 666 HE3 TRP 101 HE3 TRP 101 9.078 4.337 -4.495 667 HZ2 TRP 101 HZ2 TRP 101 5.504 6.628 -7.112 668 HZ3 TRP 101 HZ3 TRP 101 7.306 3.032 -5.688 669 HH2 TRP 101 HH TRP 101 5.555 4.193 -6.967 670 H GLU 102 H GLU 102 11.157 6.438 -7.030 671 HA GLU 102 HA GLU 102 11.062 9.249 -7.880 672 HB2 GLU 102 HB2 GLU 102 12.340 6.933 -9.321 673 HB3 GLU 102 HB3 GLU 102 12.070 8.516 -10.034 674 HG2 GLU 102 HG2 GLU 102 13.524 9.513 -8.330 675 HG3 GLU 102 HG3 GLU 102 13.841 7.913 -7.677 676 H PHE 103 H PHE 103 9.547 9.718 -9.450 677 HA PHE 103 HA PHE 103 7.377 7.789 -9.642 678 HB2 PHE 103 HB2 PHE 103 7.588 10.707 -10.366 679 HB3 PHE 103 HB3 PHE 103 6.184 9.732 -10.754 680 HD1 PHE 103 HD2 PHE 103 4.763 8.903 -8.984 681 HD2 PHE 103 HD3 PHE 103 7.992 11.502 -8.225 682 HE1 PHE 103 HE2 PHE 103 3.760 9.452 -6.788 683 HE2 PHE 103 HE1 PHE 103 7.032 12.077 -6.009 684 HZ PHE 103 HZ PHE 103 4.903 11.051 -5.302 685 H GLN 104 H GLN 104 7.447 6.431 -11.238 686 HA GLN 104 HA GLN 104 8.762 6.818 -13.757 687 HB2 GLN 104 HB2 GLN 104 8.290 4.619 -12.814 688 HB3 GLN 104 HB3 GLN 104 6.571 4.919 -12.908 689 HG2 GLN 104 HG2 GLN 104 6.769 5.021 -15.358 690 HG3 GLN 104 HG3 GLN 104 8.491 4.627 -15.208 691 HE21 GLN 104 HE21 GLN 104 9.090 2.524 -14.578 692 HE22 GLN 104 HE22 GLN 104 7.952 1.233 -14.629 693 H LYS 105 H LYS 105 5.495 7.040 -12.551 694 HA LYS 105 HA LYS 105 4.656 9.136 -14.233 695 HB2 LYS 105 HB2 LYS 105 4.518 7.351 -15.919 696 HB3 LYS 105 HB3 LYS 105 3.661 6.327 -14.792 697 HG2 LYS 105 HG2 LYS 105 2.068 7.148 -16.340 698 HG3 LYS 105 HG3 LYS 105 1.784 7.986 -14.822 699 HD2 LYS 105 HD2 LYS 105 2.964 9.945 -15.666 700 HD3 LYS 105 HD3 LYS 105 3.350 9.082 -17.161 701 HE2 LYS 105 HE2 LYS 105 0.575 9.782 -16.195 702 HE3 LYS 105 HE1 LYS 105 1.455 10.610 -17.470 703 HZ1 LYS 105 HZ1 LYS 105 0.413 7.824 -17.521 704 HZ2 LYS 105 HZ2 LYS 105 1.507 8.418 -18.661 705 HZ3 LYS 105 HZ3 LYS 105 -0.003 9.102 -18.536 706 H TYR 106 H TYR 106 3.003 10.093 -13.078 707 HA TYR 106 HA TYR 106 1.633 8.306 -11.238 708 HB2 TYR 106 HB2 TYR 106 1.087 10.368 -9.829 709 HB3 TYR 106 HB3 TYR 106 2.738 9.798 -9.790 710 HD1 TYR 106 HD2 TYR 106 0.479 12.439 -11.056 711 HD2 TYR 106 HD3 TYR 106 4.520 11.223 -10.503 712 HE1 TYR 106 HE2 TYR 106 1.233 14.725 -11.562 713 HE2 TYR 106 HE1 TYR 106 5.280 13.499 -11.001 714 HH TYR 106 HH TYR 106 4.611 15.472 -12.000 715 H GLY 107 H GLY 107 -0.451 8.072 -11.313 716 HA2 GLY 107 HA2 GLY 107 -2.592 8.408 -12.106 717 HA3 GLY 107 HA3 GLY 107 -2.007 9.762 -13.091 718 H HIS 108 H HIS 108 -3.669 7.595 -14.004 719 HA HIS 108 HA HIS 108 -2.090 5.733 -15.390 720 HB2 HIS 108 HB2 HIS 108 -4.198 5.257 -16.687 721 HB3 HIS 108 HB3 HIS 108 -4.392 5.167 -14.944 722 HD2 HIS 108 HD2 HIS 108 -6.035 6.859 -17.914 723 HE1 HIS 108 HE1 HIS 108 -7.354 8.922 -14.439 724 HE2 HIS 108 HE2 HIS 108 -7.892 8.311 -16.837 Start of MODEL 5 1 H1 GLY 9 H GLY 9 -33.582 23.612 12.872 2 HA2 GLY 9 HA2 GLY 9 -34.419 23.724 10.065 3 HA3 GLY 9 HA3 GLY 9 -33.091 22.737 10.686 4 H GLY 10 H GLY 10 -35.845 22.263 9.324 5 HA2 GLY 10 HA2 GLY 10 -37.384 20.688 11.069 6 HA3 GLY 10 HA3 GLY 10 -37.355 20.539 9.313 7 H GLY 11 H GLY 11 -34.643 19.935 9.034 8 HA2 GLY 11 HA2 GLY 11 -34.450 17.287 10.332 9 HA3 GLY 11 HA3 GLY 11 -33.861 17.649 8.710 10 H GLY 12 H GLY 12 -32.680 20.110 9.100 11 HA2 GLY 12 HA2 GLY 12 -31.076 21.119 10.710 12 HA3 GLY 12 HA3 GLY 12 -30.494 19.480 10.990 13 H THR 13 H THR 13 -30.514 18.574 8.338 14 HA THR 13 HA THR 13 -28.872 20.381 6.812 15 HB THR 13 HB THR 13 -27.304 19.093 8.344 16 HG1 THR 13 HG3 THR 13 -26.964 19.712 5.902 17 HG21 THR 13 HG21 THR 13 -28.175 16.730 6.670 18 HG22 THR 13 HG22 THR 13 -28.588 16.976 8.364 19 HG23 THR 13 HG23 THR 13 -26.908 16.722 7.895 20 H ASN 14 H ASN 14 -28.534 19.452 4.574 21 HA ASN 14 HA ASN 14 -30.440 17.373 3.842 22 HB2 ASN 14 HB2 ASN 14 -31.553 19.692 3.677 23 HB3 ASN 14 HB3 ASN 14 -30.373 20.064 2.434 24 HD21 ASN 14 HD21 ASN 14 -31.905 20.320 0.839 25 HD22 ASN 14 HD22 ASN 14 -32.812 19.012 0.181 26 H SER 15 H SER 15 -30.085 17.217 1.177 27 HA SER 15 HA SER 15 -27.509 16.259 0.870 28 HB2 SER 15 HB2 SER 15 -28.121 16.232 -1.583 29 HB3 SER 15 HB3 SER 15 -29.300 15.470 -0.515 30 HG SER 15 HG SER 15 -29.410 18.085 -1.547 31 H GLY 16 H GLY 16 -25.739 17.416 0.948 32 HA2 GLY 16 HA2 GLY 16 -24.138 18.922 0.164 33 HA3 GLY 16 HA3 GLY 16 -25.378 19.683 -0.831 34 H ALA 17 H ALA 17 -27.251 20.303 1.068 35 HA ALA 17 HA ALA 17 -26.154 22.721 2.107 36 HB1 ALA 17 HB1 ALA 17 -28.419 23.144 2.975 37 HB2 ALA 17 HB2 ALA 17 -28.879 21.499 2.506 38 HB3 ALA 17 HB3 ALA 17 -28.432 22.682 1.271 39 H GLY 18 H GLY 18 -24.866 22.720 3.793 40 HA2 GLY 18 HA2 GLY 18 -24.501 22.640 6.130 41 HA3 GLY 18 HA3 GLY 18 -25.755 21.416 6.263 42 H LYS 19 H LYS 19 -23.976 20.551 3.682 43 HA LYS 19 HA LYS 19 -22.602 18.512 5.211 44 HB2 LYS 19 HB2 LYS 19 -23.929 17.918 3.215 45 HB3 LYS 19 HB3 LYS 19 -22.860 18.878 2.217 46 HG2 LYS 19 HG2 LYS 19 -21.010 17.389 2.765 47 HG3 LYS 19 HG3 LYS 19 -22.080 16.437 3.798 48 HD2 LYS 19 HD2 LYS 19 -23.495 15.934 1.843 49 HD3 LYS 19 HD3 LYS 19 -22.384 16.869 0.841 50 HE2 LYS 19 HE2 LYS 19 -21.905 14.489 0.649 51 HE3 LYS 19 HE1 LYS 19 -20.569 15.363 1.406 52 HZ1 LYS 19 HZ1 LYS 19 -22.640 13.915 2.969 53 HZ2 LYS 19 HZ2 LYS 19 -21.140 14.487 3.540 54 HZ3 LYS 19 HZ3 LYS 19 -21.210 13.206 2.474 55 H LYS 20 H LYS 20 -20.456 18.398 5.489 56 HA LYS 20 HA LYS 20 -18.785 20.405 4.123 57 HB2 LYS 20 HB2 LYS 20 -19.046 19.810 7.015 58 HB3 LYS 20 HB3 LYS 20 -17.425 20.126 6.421 59 HG2 LYS 20 HG2 LYS 20 -18.318 22.166 7.266 60 HG3 LYS 20 HG3 LYS 20 -18.250 22.285 5.514 61 HD2 LYS 20 HD2 LYS 20 -20.633 21.842 5.375 62 HD3 LYS 20 HD3 LYS 20 -20.723 21.638 7.125 63 HE2 LYS 20 HE2 LYS 20 -20.012 23.954 7.439 64 HE3 LYS 20 HE1 LYS 20 -19.865 24.162 5.694 65 HZ1 LYS 20 HZ1 LYS 20 -21.917 25.094 6.541 66 HZ2 LYS 20 HZ2 LYS 20 -22.405 23.644 7.180 67 HZ3 LYS 20 HZ3 LYS 20 -22.252 23.836 5.486 68 H ARG 21 H ARG 21 -16.868 19.743 3.368 69 HA ARG 21 HA ARG 21 -15.913 17.106 4.147 70 HB2 ARG 21 HB2 ARG 21 -15.306 16.635 1.747 71 HB3 ARG 21 HB3 ARG 21 -17.023 16.578 2.124 72 HG2 ARG 21 HG2 ARG 21 -17.349 18.732 1.093 73 HG3 ARG 21 HG3 ARG 21 -15.618 18.915 0.834 74 HD2 ARG 21 HD2 ARG 21 -16.781 18.191 -1.218 75 HD3 ARG 21 HD3 ARG 21 -15.610 17.009 -0.655 76 HE ARG 21 HE ARG 21 -18.033 16.297 0.467 77 HH11 ARG 21 HH11 ARG 21 -16.760 16.622 -2.834 78 HH12 ARG 21 HH12 ARG 21 -17.672 15.328 -3.450 79 HH21 ARG 21 HH21 ARG 21 -19.249 14.514 -0.398 80 HH22 ARG 21 HH22 ARG 21 -19.133 14.094 -2.037 81 H PHE 22 H PHE 22 -13.772 16.865 4.225 82 HA PHE 22 HA PHE 22 -12.115 19.182 3.519 83 HB2 PHE 22 HB2 PHE 22 -12.528 19.109 5.960 84 HB3 PHE 22 HB3 PHE 22 -11.951 17.455 6.006 85 HD1 PHE 22 HD2 PHE 22 -10.895 20.943 5.315 86 HD2 PHE 22 HD3 PHE 22 -9.662 16.993 6.296 87 HE1 PHE 22 HE2 PHE 22 -8.612 21.759 5.725 88 HE2 PHE 22 HE1 PHE 22 -7.384 17.806 6.717 89 HZ PHE 22 HZ PHE 22 -6.852 20.180 6.428 90 H GLU 23 H GLU 23 -10.218 18.666 2.484 91 HA GLU 23 HA GLU 23 -9.978 16.174 1.222 92 HB2 GLU 23 HB2 GLU 23 -7.774 16.920 0.445 93 HB3 GLU 23 HB3 GLU 23 -8.962 18.209 0.325 94 HG2 GLU 23 HG2 GLU 23 -8.073 19.284 2.290 95 HG3 GLU 23 HG3 GLU 23 -6.984 17.926 2.561 96 H VAL 24 H VAL 24 -8.205 14.576 1.395 97 HA VAL 24 HA VAL 24 -7.908 13.824 4.162 98 HB VAL 24 HB VAL 24 -6.746 12.394 1.755 99 HG11 VAL 24 HG11 VAL 24 -7.496 11.424 4.516 100 HG12 VAL 24 HG12 VAL 24 -5.858 11.618 3.874 101 HG13 VAL 24 HG13 VAL 24 -6.934 10.387 3.206 102 HG21 VAL 24 HG21 VAL 24 -9.112 12.741 1.395 103 HG22 VAL 24 HG22 VAL 24 -9.492 12.067 2.978 104 HG23 VAL 24 HG23 VAL 24 -8.805 11.036 1.720 105 H LYS 25 H LYS 25 -6.654 15.794 4.543 106 HA LYS 25 HA LYS 25 -3.878 15.825 3.611 107 HB2 LYS 25 HB2 LYS 25 -5.264 17.914 3.692 108 HB3 LYS 25 HB3 LYS 25 -5.366 17.755 5.436 109 HG2 LYS 25 HG2 LYS 25 -2.852 17.881 5.456 110 HG3 LYS 25 HG3 LYS 25 -2.954 18.333 3.752 111 HD2 LYS 25 HD2 LYS 25 -4.261 19.819 6.049 112 HD3 LYS 25 HD3 LYS 25 -2.790 20.314 5.221 113 HE2 LYS 25 HE2 LYS 25 -5.527 20.064 3.956 114 HE3 LYS 25 HE1 LYS 25 -4.766 21.556 4.482 115 HZ1 LYS 25 HZ1 LYS 25 -3.866 19.780 2.285 116 HZ2 LYS 25 HZ2 LYS 25 -2.948 21.061 2.885 117 HZ3 LYS 25 HZ3 LYS 25 -4.477 21.357 2.190 118 H LYS 26 H LYS 26 -3.301 13.844 4.806 119 HA LYS 26 HA LYS 26 -2.531 14.440 7.536 120 HB2 LYS 26 HB2 LYS 26 -3.579 12.501 8.504 121 HB3 LYS 26 HB3 LYS 26 -4.814 13.557 7.817 122 HG2 LYS 26 HG2 LYS 26 -5.034 12.085 5.904 123 HG3 LYS 26 HG3 LYS 26 -3.709 11.078 6.479 124 HD2 LYS 26 HD2 LYS 26 -5.725 9.949 7.019 125 HD3 LYS 26 HD3 LYS 26 -5.091 10.627 8.515 126 HE2 LYS 26 HE2 LYS 26 -6.680 12.454 8.414 127 HE3 LYS 26 HE1 LYS 26 -7.246 11.896 6.837 128 HZ1 LYS 26 HZ1 LYS 26 -8.054 9.862 7.893 129 HZ2 LYS 26 HZ2 LYS 26 -8.735 11.205 8.639 130 HZ3 LYS 26 HZ3 LYS 26 -7.490 10.372 9.388 131 H SER 27 H SER 27 -0.781 13.250 8.204 132 HA SER 27 HA SER 27 0.157 11.147 6.425 133 HB2 SER 27 HB2 SER 27 1.513 12.441 8.827 134 HB3 SER 27 HB3 SER 27 2.230 11.290 7.688 135 HG SER 27 HG SER 27 2.708 12.894 6.501 136 H ASN 28 H ASN 28 -0.950 9.328 6.877 137 HA ASN 28 HA ASN 28 -2.383 8.880 9.246 138 HB2 ASN 28 HB2 ASN 28 -1.602 7.105 6.952 139 HB3 ASN 28 HB3 ASN 28 -2.526 6.498 8.322 140 HD21 ASN 28 HD21 ASN 28 -4.627 7.143 8.600 141 HD22 ASN 28 HD22 ASN 28 -5.555 7.948 7.409 142 H ALA 29 H ALA 29 0.604 7.436 8.049 143 HA ALA 29 HA ALA 29 2.085 7.272 10.302 144 HB1 ALA 29 HB1 ALA 29 0.606 4.646 9.895 145 HB2 ALA 29 HB2 ALA 29 0.285 5.779 11.206 146 HB3 ALA 29 HB3 ALA 29 1.862 4.985 11.103 147 H SER 30 H SER 30 3.867 7.384 9.097 148 HA SER 30 HA SER 30 4.062 5.426 6.953 149 HB2 SER 30 HB2 SER 30 5.125 8.248 6.936 150 HB3 SER 30 HB3 SER 30 5.299 7.078 5.630 151 HG SER 30 HG SER 30 3.055 7.074 5.397 152 H ALA 31 H ALA 31 5.069 4.062 8.475 153 HA ALA 31 HA ALA 31 7.939 4.527 8.525 154 HB1 ALA 31 HB1 ALA 31 8.095 3.564 10.805 155 HB2 ALA 31 HB2 ALA 31 6.327 3.496 10.880 156 HB3 ALA 31 HB3 ALA 31 7.151 5.053 10.791 157 H GLN 32 H GLN 32 5.867 2.017 9.866 158 HA GLN 32 HA GLN 32 5.185 0.013 9.201 159 HB2 GLN 32 HB2 GLN 32 4.484 1.189 7.189 160 HB3 GLN 32 HB3 GLN 32 6.033 0.846 6.439 161 HG2 GLN 32 HG2 GLN 32 5.573 -1.526 6.521 162 HG3 GLN 32 HG3 GLN 32 4.036 -1.210 7.342 163 HE21 GLN 32 HE21 GLN 32 2.763 -2.082 5.795 164 HE22 GLN 32 HE22 GLN 32 2.541 -1.363 4.225 165 H SER 33 H SER 33 8.387 0.698 7.884 166 HA SER 33 HA SER 33 10.073 -0.612 7.235 167 HB2 SER 33 HB2 SER 33 10.690 -2.511 8.954 168 HB3 SER 33 HB3 SER 33 10.759 -0.832 9.489 169 HG SER 33 HG SER 33 8.299 -1.766 9.910 170 H ALA 34 H ALA 34 8.491 -1.038 5.532 171 HA ALA 34 HA ALA 34 7.062 -3.464 5.421 172 HB1 ALA 34 HB1 ALA 34 6.630 -2.832 3.091 173 HB2 ALA 34 HB2 ALA 34 7.822 -1.545 3.234 174 HB3 ALA 34 HB3 ALA 34 6.360 -1.500 4.206 175 H TRP 35 H TRP 35 7.430 -5.312 4.343 176 HA TRP 35 HA TRP 35 10.172 -5.857 3.537 177 HB2 TRP 35 HB2 TRP 35 9.540 -8.215 3.655 178 HB3 TRP 35 HB3 TRP 35 9.010 -7.418 5.130 179 HD1 TRP 35 HD TRP 35 7.749 -9.350 2.153 180 HE1 TRP 35 HE1 TRP 35 5.217 -9.777 2.401 181 HE3 TRP 35 HE3 TRP 35 6.787 -6.266 6.119 182 HZ2 TRP 35 HZ2 TRP 35 3.104 -8.921 4.045 183 HZ3 TRP 35 HZ3 TRP 35 4.488 -6.127 6.964 184 HH2 TRP 35 HH TRP 35 2.683 -7.429 5.958 185 H ASP 36 H ASP 36 10.379 -7.139 1.480 186 HA ASP 36 HA ASP 36 9.169 -5.658 -0.599 187 HB2 ASP 36 HB2 ASP 36 10.823 -8.173 -0.684 188 HB3 ASP 36 HB3 ASP 36 10.242 -7.343 -2.118 189 H ILE 37 H ILE 37 7.295 -5.899 -1.549 190 HA ILE 37 HA ILE 37 5.999 -8.529 -1.598 191 HB ILE 37 HB ILE 37 3.823 -7.448 -1.439 192 HG12 ILE 37 HG12 ILE 37 5.267 -4.871 -0.813 193 HG13 ILE 37 HG11 ILE 37 4.595 -5.249 -2.399 194 HG21 ILE 37 HG21 ILE 37 5.653 -6.720 0.829 195 HG22 ILE 37 HG22 ILE 37 4.767 -8.237 0.639 196 HG23 ILE 37 HG23 ILE 37 3.896 -6.731 0.929 197 HD11 ILE 37 HD11 ILE 37 2.399 -5.469 -1.371 198 HD12 ILE 37 HD31 ILE 37 3.068 -4.930 0.182 199 HD13 ILE 37 HD21 ILE 37 3.080 -3.854 -1.240 200 H VAL 38 H VAL 38 4.316 -8.583 -3.328 201 HA VAL 38 HA VAL 38 5.314 -7.538 -5.795 202 HB VAL 38 HB VAL 38 2.650 -8.840 -5.166 203 HG11 VAL 38 HG11 VAL 38 3.966 -8.398 -7.862 204 HG12 VAL 38 HG12 VAL 38 2.523 -7.581 -7.248 205 HG13 VAL 38 HG13 VAL 38 2.490 -9.316 -7.560 206 HG21 VAL 38 HG21 VAL 38 3.634 -10.897 -6.119 207 HG22 VAL 38 HG22 VAL 38 4.485 -10.360 -4.674 208 HG23 VAL 38 HG23 VAL 38 5.186 -10.079 -6.264 209 H VAL 39 H VAL 39 4.683 -5.764 -6.866 210 HA VAL 39 HA VAL 39 3.385 -3.789 -5.244 211 HB VAL 39 HB VAL 39 3.967 -2.171 -7.028 212 HG11 VAL 39 HG11 VAL 39 6.255 -3.886 -6.118 213 HG12 VAL 39 HG12 VAL 39 5.429 -2.641 -5.165 214 HG13 VAL 39 HG13 VAL 39 6.294 -2.193 -6.630 215 HG21 VAL 39 HG21 VAL 39 3.882 -3.633 -8.998 216 HG22 VAL 39 HG22 VAL 39 5.222 -4.575 -8.360 217 HG23 VAL 39 HG23 VAL 39 5.478 -2.907 -8.846 218 H ASP 40 H ASP 40 1.772 -5.934 -6.442 219 HA ASP 40 HA ASP 40 -0.149 -4.371 -7.941 220 HB2 ASP 40 HB2 ASP 40 -0.098 -7.251 -7.064 221 HB3 ASP 40 HB3 ASP 40 -1.584 -6.418 -7.581 222 H ASN 41 H ASN 41 0.780 -4.634 -4.840 223 HA ASN 41 HA ASN 41 -1.794 -3.582 -3.976 224 HB2 ASN 41 HB2 ASN 41 0.046 -5.401 -2.429 225 HB3 ASN 41 HB3 ASN 41 -1.182 -4.395 -1.666 226 HD21 ASN 41 HD21 ASN 41 -3.344 -4.846 -1.999 227 HD22 ASN 41 HD22 ASN 41 -3.891 -6.389 -2.579 228 H CYS 42 H CYS 42 -1.730 -1.844 -2.747 229 HA CYS 42 HA CYS 42 0.686 -0.229 -2.756 230 HB2 CYS 42 HB2 CYS 42 -1.686 0.687 -2.963 231 HB3 CYS 42 HB3 CYS 42 -1.911 0.252 -1.299 232 H ALA 43 H ALA 43 2.206 -0.586 -1.229 233 HA ALA 43 HA ALA 43 1.707 -2.371 0.946 234 HB1 ALA 43 HB1 ALA 43 4.011 -1.968 1.545 235 HB2 ALA 43 HB2 ALA 43 4.068 -0.569 0.471 236 HB3 ALA 43 HB3 ALA 43 3.868 -2.189 -0.209 237 H ILE 44 H ILE 44 1.675 1.006 0.510 238 HA ILE 44 HA ILE 44 2.452 1.834 3.086 239 HB ILE 44 HB ILE 44 0.881 3.318 0.960 240 HG12 ILE 44 HG12 ILE 44 3.870 3.001 1.425 241 HG13 ILE 44 HG11 ILE 44 2.919 2.316 0.175 242 HG21 ILE 44 HG21 ILE 44 2.564 4.336 3.260 243 HG22 ILE 44 HG22 ILE 44 0.800 4.405 3.158 244 HG23 ILE 44 HG23 ILE 44 1.780 5.324 2.021 245 HD11 ILE 44 HD11 ILE 44 2.385 4.439 -0.768 246 HD12 ILE 44 HD31 ILE 44 3.254 5.268 0.520 247 HD13 ILE 44 HD21 ILE 44 4.131 4.253 -0.631 248 H CYS 45 H CYS 45 -0.727 1.533 1.538 249 HA CYS 45 HA CYS 45 -2.031 1.882 4.147 250 HB2 CYS 45 HB2 CYS 45 -4.128 1.900 2.749 251 HB3 CYS 45 HB3 CYS 45 -2.979 3.169 2.321 252 H ARG 46 H ARG 46 -1.117 -0.380 1.803 253 HA ARG 46 HA ARG 46 -1.203 -2.482 1.473 254 HB2 ARG 46 HB2 ARG 46 -0.534 -2.792 3.798 255 HB3 ARG 46 HB3 ARG 46 -2.227 -2.832 4.309 256 HG2 ARG 46 HG2 ARG 46 -2.613 -4.865 3.109 257 HG3 ARG 46 HG3 ARG 46 -1.029 -4.790 2.354 258 HD2 ARG 46 HD2 ARG 46 -1.028 -6.433 4.138 259 HD3 ARG 46 HD3 ARG 46 0.008 -5.064 4.551 260 HE ARG 46 HE ARG 46 -2.385 -4.444 5.694 261 HH11 ARG 46 HH11 ARG 46 -0.336 -7.349 5.875 262 HH12 ARG 46 HH12 ARG 46 -0.677 -7.627 7.514 263 HH21 ARG 46 HH21 ARG 46 -2.864 -4.847 7.844 264 HH22 ARG 46 HH22 ARG 46 -2.196 -6.184 8.698 265 H ASN 47 H ASN 47 -2.864 -1.200 0.282 266 HA ASN 47 HA ASN 47 -5.291 -2.846 0.248 267 HB2 ASN 47 HB2 ASN 47 -4.853 0.053 -0.072 268 HB3 ASN 47 HB3 ASN 47 -6.005 -0.670 -1.178 269 HD21 ASN 47 HD21 ASN 47 -5.369 -1.730 2.100 270 HD22 ASN 47 HD22 ASN 47 -6.905 -1.295 2.769 271 H HIS 48 H HIS 48 -6.227 -2.299 -2.264 272 HA HIS 48 HA HIS 48 -4.326 -3.835 -3.788 273 HB2 HIS 48 HB2 HIS 48 -6.739 -4.305 -3.916 274 HB3 HIS 48 HB3 HIS 48 -7.026 -2.739 -4.655 275 HD2 HIS 48 HD2 HIS 48 -4.714 -5.793 -5.573 276 HE1 HIS 48 HE1 HIS 48 -6.438 -4.239 -9.109 277 HE2 HIS 48 HE2 HIS 48 -5.149 -6.090 -8.166 278 H ILE 49 H ILE 49 -3.528 -3.258 -5.988 279 HA ILE 49 HA ILE 49 -2.194 -0.868 -5.873 280 HB ILE 49 HB ILE 49 -1.320 -2.722 -7.156 281 HG12 ILE 49 HG12 ILE 49 -0.607 -1.473 -9.224 282 HG13 ILE 49 HG11 ILE 49 -1.831 -0.290 -8.840 283 HG21 ILE 49 HG21 ILE 49 -3.303 -3.688 -8.080 284 HG22 ILE 49 HG22 ILE 49 -2.198 -3.292 -9.398 285 HG23 ILE 49 HG23 ILE 49 -3.590 -2.259 -9.071 286 HD11 ILE 49 HD11 ILE 49 0.422 -1.009 -7.030 287 HD12 ILE 49 HD31 ILE 49 0.349 0.418 -8.093 288 HD13 ILE 49 HD21 ILE 49 -0.829 0.254 -6.801 289 H MET 50 H MET 50 -5.014 -1.613 -7.989 290 HA MET 50 HA MET 50 -5.238 1.216 -7.943 291 HB2 MET 50 HB2 MET 50 -6.343 1.301 -10.140 292 HB3 MET 50 HB3 MET 50 -4.774 0.515 -10.231 293 HG2 MET 50 HG2 MET 50 -7.365 -1.011 -10.116 294 HG3 MET 50 HG3 MET 50 -6.680 -0.435 -11.624 295 HE1 MET 50 HE1 MET 50 -6.652 -2.905 -12.645 296 HE2 MET 50 HE2 MET 50 -7.465 -3.408 -11.165 297 HE3 MET 50 HE3 MET 50 -6.055 -4.294 -11.737 298 H ASP 51 H ASP 51 -6.585 1.498 -6.291 299 HA ASP 51 HA ASP 51 -9.327 0.889 -6.486 300 HB2 ASP 51 HB2 ASP 51 -8.302 -1.373 -5.862 301 HB3 ASP 51 HB3 ASP 51 -7.831 -0.645 -4.338 302 H LEU 52 H LEU 52 -10.282 1.357 -4.158 303 HA LEU 52 HA LEU 52 -9.378 3.896 -3.205 304 HB2 LEU 52 HB2 LEU 52 -11.391 1.886 -2.310 305 HB3 LEU 52 HB3 LEU 52 -11.166 3.399 -1.441 306 HG LEU 52 HG LEU 52 -11.954 3.218 -4.363 307 HD11 LEU 52 HD11 LEU 52 -13.752 3.753 -1.994 308 HD12 LEU 52 HD12 LEU 52 -13.682 2.237 -2.872 309 HD13 LEU 52 HD13 LEU 52 -14.198 3.711 -3.694 310 HD21 LEU 52 HD21 LEU 52 -10.883 5.326 -3.736 311 HD22 LEU 52 HD22 LEU 52 -11.985 5.425 -2.354 312 HD23 LEU 52 HD23 LEU 52 -12.633 5.550 -3.991 313 H CYS 53 H CYS 53 -8.409 4.373 -1.214 314 HA CYS 53 HA CYS 53 -6.723 2.291 -0.083 315 HB2 CYS 53 HB2 CYS 53 -6.996 5.142 0.864 316 HB3 CYS 53 HB3 CYS 53 -5.641 4.045 1.091 317 H ILE 54 H ILE 54 -6.496 2.767 2.424 318 HA ILE 54 HA ILE 54 -8.302 1.441 3.952 319 HB ILE 54 HB ILE 54 -7.483 2.988 5.861 320 HG12 ILE 54 HG12 ILE 54 -5.642 3.827 3.584 321 HG13 ILE 54 HG11 ILE 54 -6.698 4.876 4.404 322 HG21 ILE 54 HG21 ILE 54 -5.586 1.293 4.267 323 HG22 ILE 54 HG22 ILE 54 -6.755 0.740 5.492 324 HG23 ILE 54 HG23 ILE 54 -5.406 1.797 5.956 325 HD11 ILE 54 HD11 ILE 54 -4.372 3.508 5.670 326 HD12 ILE 54 HD31 ILE 54 -4.459 5.188 5.144 327 HD13 ILE 54 HD21 ILE 54 -5.483 4.640 6.478 328 H GLU 55 H GLU 55 -8.182 4.839 4.709 329 HA GLU 55 HA GLU 55 -10.850 4.918 5.626 330 HB2 GLU 55 HB2 GLU 55 -9.034 7.154 4.828 331 HB3 GLU 55 HB3 GLU 55 -10.470 7.278 5.819 332 HG2 GLU 55 HG2 GLU 55 -9.240 5.707 7.469 333 HG3 GLU 55 HG3 GLU 55 -7.884 5.974 6.447 334 H CYS 56 H CYS 56 -9.223 5.616 2.665 335 HA CYS 56 HA CYS 56 -10.805 7.615 1.641 336 HB2 CYS 56 HB2 CYS 56 -9.415 5.416 0.152 337 HB3 CYS 56 HB3 CYS 56 -9.944 6.944 -0.561 338 H GLN 57 H GLN 57 -11.329 4.096 1.212 339 HA GLN 57 HA GLN 57 -13.674 4.414 -0.315 340 HB2 GLN 57 HB2 GLN 57 -14.263 2.067 0.390 341 HB3 GLN 57 HB3 GLN 57 -12.669 2.262 -0.332 342 HG2 GLN 57 HG2 GLN 57 -11.584 1.873 1.644 343 HG3 GLN 57 HG3 GLN 57 -12.987 2.311 2.618 344 HE21 GLN 57 HE21 GLN 57 -11.597 -0.240 0.582 345 HE22 GLN 57 HE22 GLN 57 -12.630 -1.464 1.203 346 H ALA 58 H ALA 58 -13.310 4.116 3.138 347 HA ALA 58 HA ALA 58 -16.110 4.161 3.771 348 HB1 ALA 58 HB1 ALA 58 -15.397 4.502 6.064 349 HB2 ALA 58 HB2 ALA 58 -13.807 4.999 5.516 350 HB3 ALA 58 HB3 ALA 58 -14.319 3.312 5.318 351 H ASN 59 H ASN 59 -13.610 6.463 3.454 352 HA ASN 59 HA ASN 59 -14.675 8.803 4.541 353 HB2 ASN 59 HB2 ASN 59 -12.317 8.316 4.010 354 HB3 ASN 59 HB3 ASN 59 -12.718 8.347 2.305 355 HD21 ASN 59 HD21 ASN 59 -12.080 10.137 5.116 356 HD22 ASN 59 HD22 ASN 59 -12.025 11.702 4.341 357 H GLN 60 H GLN 60 -14.817 7.284 1.397 358 HA GLN 60 HA GLN 60 -15.715 7.749 -0.555 359 HB2 GLN 60 HB2 GLN 60 -17.431 9.690 0.999 360 HB3 GLN 60 HB3 GLN 60 -17.659 9.352 -0.717 361 HG2 GLN 60 HG2 GLN 60 -18.085 7.007 -0.159 362 HG3 GLN 60 HG3 GLN 60 -17.895 7.400 1.548 363 HE21 GLN 60 HE21 GLN 60 -19.966 7.533 -1.192 364 HE22 GLN 60 HE22 GLN 60 -21.352 8.171 -0.388 365 H ALA 61 H ALA 61 -13.532 8.479 -0.682 366 HA ALA 61 HA ALA 61 -12.809 11.193 -0.483 367 HB1 ALA 61 HB1 ALA 61 -11.531 8.990 -2.094 368 HB2 ALA 61 HB2 ALA 61 -11.150 9.421 -0.424 369 HB3 ALA 61 HB3 ALA 61 -10.794 10.552 -1.733 370 H SER 62 H SER 62 -12.864 12.832 -1.922 371 HA SER 62 HA SER 62 -14.542 12.527 -4.219 372 HB2 SER 62 HB2 SER 62 -12.970 14.951 -3.328 373 HB3 SER 62 HB3 SER 62 -14.370 14.919 -4.410 374 HG SER 62 HG SER 62 -15.428 13.846 -2.477 375 H ALA 63 H ALA 63 -13.249 11.017 -5.318 376 HA ALA 63 HA ALA 63 -11.493 12.107 -7.249 377 HB1 ALA 63 HB1 ALA 63 -9.555 10.604 -6.602 378 HB2 ALA 63 HB2 ALA 63 -10.347 10.369 -5.039 379 HB3 ALA 63 HB3 ALA 63 -9.819 11.967 -5.524 380 H THR 64 H THR 64 -10.413 9.882 -8.250 381 HA THR 64 HA THR 64 -12.503 8.307 -9.310 382 HB THR 64 HB THR 64 -9.628 7.415 -9.059 383 HG1 THR 64 HG3 THR 64 -9.087 8.775 -10.696 384 HG21 THR 64 HG21 THR 64 -11.632 7.177 -11.303 385 HG22 THR 64 HG22 THR 64 -11.276 5.921 -10.127 386 HG23 THR 64 HG23 THR 64 -10.026 6.447 -11.256 387 H SER 65 H SER 65 -13.405 6.375 -8.576 388 HA SER 65 HA SER 65 -12.389 5.421 -5.980 389 HB2 SER 65 HB2 SER 65 -14.985 4.655 -7.293 390 HB3 SER 65 HB3 SER 65 -14.554 4.499 -5.591 391 HG SER 65 HG SER 65 -14.239 6.985 -6.530 392 H GLU 66 H GLU 66 -12.595 4.574 -9.276 393 HA GLU 66 HA GLU 66 -12.129 1.804 -9.113 394 HB2 GLU 66 HB2 GLU 66 -12.612 3.107 -11.203 395 HB3 GLU 66 HB3 GLU 66 -11.021 3.793 -11.102 396 HG2 GLU 66 HG2 GLU 66 -9.955 1.666 -11.431 397 HG3 GLU 66 HG3 GLU 66 -11.518 0.847 -11.361 398 H GLU 67 H GLU 67 -10.049 4.638 -8.869 399 HA GLU 67 HA GLU 67 -8.137 3.142 -7.353 400 HB2 GLU 67 HB2 GLU 67 -6.272 4.217 -8.605 401 HB3 GLU 67 HB3 GLU 67 -7.172 3.088 -9.609 402 HG2 GLU 67 HG2 GLU 67 -8.309 4.913 -10.718 403 HG3 GLU 67 HG3 GLU 67 -7.577 6.080 -9.628 404 H CYS 68 H CYS 68 -7.967 4.357 -5.569 405 HA CYS 68 HA CYS 68 -8.971 6.928 -5.179 406 HB2 CYS 68 HB2 CYS 68 -8.270 5.553 -3.295 407 HB3 CYS 68 HB3 CYS 68 -6.598 5.616 -3.797 408 H THR 69 H THR 69 -5.706 5.914 -5.919 409 HA THR 69 HA THR 69 -5.294 7.406 -8.169 410 HB THR 69 HB THR 69 -3.287 8.642 -7.184 411 HG1 THR 69 HG3 THR 69 -4.986 9.255 -5.021 412 HG21 THR 69 HG21 THR 69 -6.052 9.846 -7.134 413 HG22 THR 69 HG22 THR 69 -4.868 9.854 -8.449 414 HG23 THR 69 HG23 THR 69 -4.576 10.808 -6.995 415 H VAL 70 H VAL 70 -3.405 6.591 -9.181 416 HA VAL 70 HA VAL 70 -1.585 5.139 -7.427 417 HB VAL 70 HB VAL 70 -3.267 3.537 -8.524 418 HG11 VAL 70 HG11 VAL 70 -1.677 4.177 -10.949 419 HG12 VAL 70 HG12 VAL 70 -3.337 4.681 -10.656 420 HG13 VAL 70 HG13 VAL 70 -2.955 2.951 -10.842 421 HG21 VAL 70 HG21 VAL 70 -1.592 1.866 -9.053 422 HG22 VAL 70 HG22 VAL 70 -1.158 2.756 -7.600 423 HG23 VAL 70 HG23 VAL 70 -0.342 3.105 -9.122 424 H ALA 71 H ALA 71 0.537 5.228 -8.004 425 HA ALA 71 HA ALA 71 1.201 6.249 -10.626 426 HB1 ALA 71 HB1 ALA 71 1.139 8.246 -9.287 427 HB2 ALA 71 HB2 ALA 71 2.811 7.844 -9.682 428 HB3 ALA 71 HB3 ALA 71 2.183 7.518 -8.054 429 H TRP 72 H TRP 72 3.208 5.610 -11.363 430 HA TRP 72 HA TRP 72 4.117 3.234 -10.012 431 HB2 TRP 72 HB2 TRP 72 5.018 4.260 -12.673 432 HB3 TRP 72 HB3 TRP 72 5.066 2.629 -12.078 433 HD1 TRP 72 HD TRP 72 3.261 4.456 -14.559 434 HE1 TRP 72 HE1 TRP 72 0.958 3.502 -15.054 435 HE3 TRP 72 HE3 TRP 72 2.753 1.554 -10.457 436 HZ2 TRP 72 HZ2 TRP 72 -0.896 1.718 -13.827 437 HZ3 TRP 72 HZ3 TRP 72 0.622 0.226 -10.177 438 HH2 TRP 72 HH TRP 72 -1.117 0.338 -11.831 439 H GLY 73 H GLY 73 6.276 2.929 -9.517 440 HA2 GLY 73 HA2 GLY 73 7.863 5.358 -9.272 441 HA3 GLY 73 HA3 GLY 73 8.092 3.838 -8.390 442 H VAL 74 H VAL 74 9.863 5.495 -10.201 443 HA VAL 74 HA VAL 74 10.374 4.048 -12.603 444 HB VAL 74 HB VAL 74 12.320 5.654 -10.954 445 HG11 VAL 74 HG11 VAL 74 12.326 5.037 -13.913 446 HG12 VAL 74 HG12 VAL 74 13.401 4.308 -12.721 447 HG13 VAL 74 HG13 VAL 74 13.513 6.037 -13.077 448 HG21 VAL 74 HG21 VAL 74 10.480 6.584 -13.150 449 HG22 VAL 74 HG22 VAL 74 11.711 7.580 -12.369 450 HG23 VAL 74 HG23 VAL 74 10.337 6.970 -11.440 451 H CYS 75 H CYS 75 11.125 3.550 -9.306 452 HA CYS 75 HA CYS 75 13.351 1.797 -9.594 453 HB2 CYS 75 HB2 CYS 75 12.853 1.510 -7.166 454 HB3 CYS 75 HB3 CYS 75 13.147 3.164 -7.690 455 H ASN 76 H ASN 76 10.622 1.186 -10.893 456 HA ASN 76 HA ASN 76 9.393 -0.630 -11.459 457 HB2 ASN 76 HB2 ASN 76 11.635 -1.731 -11.506 458 HB3 ASN 76 HB3 ASN 76 11.398 -2.205 -9.823 459 HD21 ASN 76 HD21 ASN 76 11.550 -4.410 -10.382 460 HD22 ASN 76 HD22 ASN 76 10.295 -5.249 -11.206 461 H HIS 77 H HIS 77 8.650 0.902 -9.377 462 HA HIS 77 HA HIS 77 7.354 -1.052 -7.669 463 HB2 HIS 77 HB2 HIS 77 8.614 1.503 -6.930 464 HB3 HIS 77 HB3 HIS 77 7.165 1.013 -6.028 465 HD2 HIS 77 HD2 HIS 77 8.206 -2.271 -6.105 466 HE1 HIS 77 HE1 HIS 77 11.153 -0.674 -3.533 467 HE2 HIS 77 HE2 HIS 77 10.114 -2.776 -4.478 468 H ALA 78 H ALA 78 5.239 -0.308 -6.722 469 HA ALA 78 HA ALA 78 3.929 1.756 -8.231 470 HB1 ALA 78 HB1 ALA 78 2.124 0.319 -8.879 471 HB2 ALA 78 HB2 ALA 78 2.847 -1.055 -8.074 472 HB3 ALA 78 HB3 ALA 78 3.622 -0.354 -9.503 473 H PHE 79 H PHE 79 2.816 2.915 -6.815 474 HA PHE 79 HA PHE 79 1.562 1.600 -4.537 475 HB2 PHE 79 HB2 PHE 79 3.261 4.083 -4.339 476 HB3 PHE 79 HB3 PHE 79 2.273 3.453 -3.036 477 HD1 PHE 79 HD2 PHE 79 2.954 1.142 -2.051 478 HD2 PHE 79 HD3 PHE 79 5.420 3.332 -4.752 479 HE1 PHE 79 HE2 PHE 79 4.941 -0.227 -1.396 480 HE2 PHE 79 HE1 PHE 79 7.354 1.957 -4.088 481 HZ PHE 79 HZ PHE 79 7.093 0.203 -2.417 482 H HIS 80 H HIS 80 0.014 3.274 -3.469 483 HA HIS 80 HA HIS 80 -1.493 4.518 -5.541 484 HB2 HIS 80 HB2 HIS 80 -1.592 4.489 -2.564 485 HB3 HIS 80 HB3 HIS 80 -2.608 5.583 -3.459 486 HD2 HIS 80 HD2 HIS 80 -3.420 3.122 -5.762 487 HE1 HIS 80 HE1 HIS 80 -5.194 1.390 -2.324 488 HE2 HIS 80 HE2 HIS 80 -4.589 1.087 -4.690 489 H PHE 81 H PHE 81 -1.401 6.601 -6.155 490 HA PHE 81 HA PHE 81 0.877 8.115 -5.568 491 HB2 PHE 81 HB2 PHE 81 -0.508 8.528 -7.601 492 HB3 PHE 81 HB3 PHE 81 -1.760 9.122 -6.508 493 HD1 PHE 81 HD3 PHE 81 1.744 9.793 -7.509 494 HD2 PHE 81 HD2 PHE 81 -1.901 11.369 -5.981 495 HE1 PHE 81 HE1 PHE 81 2.683 12.069 -7.621 496 HE2 PHE 81 HE2 PHE 81 -0.970 13.641 -6.103 497 HZ PHE 81 HZ PHE 81 1.317 13.989 -6.923 498 H HIS 82 H HIS 82 -2.331 8.193 -4.243 499 HA HIS 82 HA HIS 82 -2.087 10.381 -2.489 500 HB2 HIS 82 HB2 HIS 82 -4.249 9.352 -2.818 501 HB3 HIS 82 HB3 HIS 82 -3.632 7.816 -2.260 502 HD2 HIS 82 HD2 HIS 82 -2.949 10.923 -0.033 503 HE1 HIS 82 HE1 HIS 82 -5.816 8.505 1.950 504 HE2 HIS 82 HE2 HIS 82 -4.081 10.245 2.225 505 H CYS 83 H CYS 83 -1.400 6.923 -1.853 506 HA CYS 83 HA CYS 83 -0.604 7.348 0.808 507 HB2 CYS 83 HB2 CYS 83 -0.001 4.987 -0.996 508 HB3 CYS 83 HB3 CYS 83 0.053 5.088 0.748 509 H ILE 84 H ILE 84 1.168 6.865 -2.236 510 HA ILE 84 HA ILE 84 3.634 6.859 -0.909 511 HB ILE 84 HB ILE 84 3.370 5.931 -3.228 512 HG12 ILE 84 HG12 ILE 84 5.568 6.823 -4.080 513 HG13 ILE 84 HG11 ILE 84 5.506 7.993 -2.784 514 HG21 ILE 84 HG21 ILE 84 3.373 7.361 -5.146 515 HG22 ILE 84 HG22 ILE 84 3.591 8.779 -4.122 516 HG23 ILE 84 HG23 ILE 84 2.063 7.885 -4.068 517 HD11 ILE 84 HD11 ILE 84 5.554 5.011 -2.368 518 HD12 ILE 84 HD31 ILE 84 6.946 6.079 -2.272 519 HD13 ILE 84 HD21 ILE 84 5.642 6.252 -1.113 520 H SER 85 H SER 85 1.765 9.468 -2.294 521 HA SER 85 HA SER 85 3.759 11.450 -2.104 522 HB2 SER 85 HB2 SER 85 0.755 11.742 -1.980 523 HB3 SER 85 HB3 SER 85 1.890 13.090 -2.148 524 HG SER 85 HG SER 85 1.198 11.058 -3.928 525 H ARG 86 H ARG 86 1.290 10.426 0.240 526 HA ARG 86 HA ARG 86 1.977 12.316 2.236 527 HB2 ARG 86 HB2 ARG 86 0.799 9.551 2.547 528 HB3 ARG 86 HB3 ARG 86 0.789 10.815 3.776 529 HG2 ARG 86 HG2 ARG 86 -0.636 10.912 1.120 530 HG3 ARG 86 HG3 ARG 86 -1.359 10.574 2.690 531 HD2 ARG 86 HD2 ARG 86 -0.684 12.828 3.441 532 HD3 ARG 86 HD3 ARG 86 -0.054 13.168 1.826 533 HE ARG 86 HE ARG 86 -2.859 12.825 2.587 534 HH11 ARG 86 HH11 ARG 86 -0.495 13.741 0.035 535 HH12 ARG 86 HH12 ARG 86 -1.733 14.345 -0.975 536 HH21 ARG 86 HH21 ARG 86 -4.433 13.730 1.153 537 HH22 ARG 86 HH22 ARG 86 -3.974 14.378 -0.346 538 H TRP 87 H TRP 87 3.014 9.052 1.450 539 HA TRP 87 HA TRP 87 4.710 8.428 3.580 540 HB2 TRP 87 HB2 TRP 87 4.044 6.817 1.878 541 HB3 TRP 87 HB3 TRP 87 4.805 7.777 0.632 542 HD1 TRP 87 HD TRP 87 7.348 7.390 0.168 543 HE1 TRP 87 HE1 TRP 87 9.065 5.765 1.131 544 HE3 TRP 87 HE3 TRP 87 4.654 5.605 4.117 545 HZ2 TRP 87 HZ2 TRP 87 9.274 3.952 3.287 546 HZ3 TRP 87 HZ3 TRP 87 5.699 3.901 5.595 547 HH2 TRP 87 HH TRP 87 7.943 3.096 5.180 548 H LEU 88 H LEU 88 5.309 9.974 0.494 549 HA LEU 88 HA LEU 88 8.037 10.527 0.883 550 HB2 LEU 88 HB2 LEU 88 5.995 11.635 -0.984 551 HB3 LEU 88 HB3 LEU 88 7.708 12.003 -1.087 552 HG LEU 88 HG LEU 88 6.586 9.226 -1.241 553 HD11 LEU 88 HD11 LEU 88 7.450 11.068 -3.446 554 HD12 LEU 88 HD12 LEU 88 5.793 10.541 -3.058 555 HD13 LEU 88 HD13 LEU 88 6.992 9.363 -3.585 556 HD21 LEU 88 HD21 LEU 88 8.819 8.746 -2.182 557 HD22 LEU 88 HD22 LEU 88 8.865 9.225 -0.493 558 HD23 LEU 88 HD23 LEU 88 9.325 10.380 -1.752 559 H LYS 89 H LYS 89 5.228 12.221 1.859 560 HA LYS 89 HA LYS 89 6.404 14.726 2.232 561 HB2 LYS 89 HB2 LYS 89 3.980 14.311 2.367 562 HB3 LYS 89 HB3 LYS 89 4.225 13.443 3.875 563 HG2 LYS 89 HG2 LYS 89 5.027 15.462 4.958 564 HG3 LYS 89 HG3 LYS 89 4.880 16.347 3.438 565 HD2 LYS 89 HD2 LYS 89 2.548 14.989 4.775 566 HD3 LYS 89 HD3 LYS 89 2.984 16.673 5.090 567 HE2 LYS 89 HE2 LYS 89 2.273 15.484 2.408 568 HE3 LYS 89 HE1 LYS 89 1.209 16.457 3.418 569 HZ1 LYS 89 HZ1 LYS 89 2.744 18.327 3.185 570 HZ2 LYS 89 HZ2 LYS 89 2.211 17.790 1.676 571 HZ3 LYS 89 HZ3 LYS 89 3.761 17.410 2.189 572 H THR 90 H THR 90 6.319 11.820 4.243 573 HA THR 90 HA THR 90 8.187 13.212 6.012 574 HB THR 90 HB THR 90 6.219 12.464 7.210 575 HG1 THR 90 HG3 THR 90 7.443 10.882 8.690 576 HG21 THR 90 HG21 THR 90 7.017 9.664 6.403 577 HG22 THR 90 HG22 THR 90 5.587 10.540 5.848 578 HG23 THR 90 HG23 THR 90 5.749 10.088 7.547 579 H ARG 91 H ARG 91 8.168 10.710 3.687 580 HA ARG 91 HA ARG 91 10.845 9.852 4.594 581 HB2 ARG 91 HB2 ARG 91 8.793 8.139 3.158 582 HB3 ARG 91 HB3 ARG 91 10.416 7.680 3.581 583 HG2 ARG 91 HG2 ARG 91 8.275 8.374 5.568 584 HG3 ARG 91 HG3 ARG 91 8.753 6.749 5.088 585 HD2 ARG 91 HD2 ARG 91 10.971 7.114 5.867 586 HD3 ARG 91 HD3 ARG 91 10.610 8.770 6.357 587 HE ARG 91 HE ARG 91 9.546 6.292 7.502 588 HH11 ARG 91 HH11 ARG 91 10.176 9.791 7.821 589 HH12 ARG 91 HH12 ARG 91 9.767 9.841 9.478 590 HH21 ARG 91 HH21 ARG 91 8.984 6.419 9.764 591 HH22 ARG 91 HH22 ARG 91 9.055 7.882 10.627 592 H GLN 92 H GLN 92 12.424 9.719 3.037 593 HA GLN 92 HA GLN 92 11.715 10.825 0.427 594 HB2 GLN 92 HB2 GLN 92 14.311 10.432 1.835 595 HB3 GLN 92 HB3 GLN 92 14.228 10.907 0.152 596 HG2 GLN 92 HG2 GLN 92 12.927 12.926 0.872 597 HG3 GLN 92 HG3 GLN 92 13.158 12.413 2.545 598 HE21 GLN 92 HE21 GLN 92 14.588 13.771 -0.243 599 HE22 GLN 92 HE22 GLN 92 16.085 14.266 0.441 600 H VAL 93 H VAL 93 12.034 7.865 1.788 601 HA VAL 93 HA VAL 93 13.272 6.717 -0.616 602 HB VAL 93 HB VAL 93 14.029 4.839 0.891 603 HG11 VAL 93 HG11 VAL 93 15.074 7.585 1.651 604 HG12 VAL 93 HG12 VAL 93 15.502 6.706 0.183 605 HG13 VAL 93 HG13 VAL 93 15.929 6.040 1.755 606 HG21 VAL 93 HG21 VAL 93 12.441 5.229 2.708 607 HG22 VAL 93 HG22 VAL 93 13.196 6.798 2.989 608 HG23 VAL 93 HG23 VAL 93 14.113 5.313 3.309 609 H CYS 94 H CYS 94 12.578 4.712 -1.321 610 HA CYS 94 HA CYS 94 9.877 4.147 -1.384 611 HB2 CYS 94 HB2 CYS 94 12.257 2.429 -1.676 612 HB3 CYS 94 HB3 CYS 94 10.670 1.841 -2.148 613 HA PRO 95 HA PRO 95 9.037 2.089 2.577 614 HB2 PRO 95 HB2 PRO 95 7.236 0.487 0.863 615 HB3 PRO 95 HB3 PRO 95 6.859 1.364 2.354 616 HG2 PRO 95 HG2 PRO 95 6.076 2.290 -0.007 617 HG3 PRO 95 HG3 PRO 95 6.687 3.411 1.248 618 HD2 PRO 95 HD2 PRO 95 7.989 2.361 -1.212 619 HD3 PRO 95 HD3 PRO 95 8.093 3.979 -0.504 620 H LEU 96 H LEU 96 9.528 0.464 -0.417 621 HA LEU 96 HA LEU 96 10.120 -2.120 0.858 622 HB2 LEU 96 HB2 LEU 96 9.783 -1.469 -2.058 623 HB3 LEU 96 HB3 LEU 96 9.835 -3.071 -1.347 624 HG LEU 96 HG LEU 96 7.629 -1.055 -0.989 625 HD11 LEU 96 HD11 LEU 96 6.314 -2.639 -2.305 626 HD12 LEU 96 HD12 LEU 96 7.775 -3.618 -2.558 627 HD13 LEU 96 HD13 LEU 96 7.690 -1.970 -3.179 628 HD21 LEU 96 HD21 LEU 96 6.439 -2.847 0.147 629 HD22 LEU 96 HD22 LEU 96 7.940 -2.447 1.000 630 HD23 LEU 96 HD23 LEU 96 7.855 -3.895 -0.002 631 H ASP 97 H ASP 97 11.382 0.084 -1.597 632 HA ASP 97 HA ASP 97 13.855 -1.318 -1.948 633 HB2 ASP 97 HB2 ASP 97 12.764 1.203 -2.926 634 HB3 ASP 97 HB3 ASP 97 14.540 1.135 -2.940 635 H ASN 98 H ASN 98 12.855 1.277 0.140 636 HA ASN 98 HA ASN 98 13.899 2.595 1.620 637 HB2 ASN 98 HB2 ASN 98 15.763 0.229 1.683 638 HB3 ASN 98 HB3 ASN 98 15.943 1.578 2.801 639 HD21 ASN 98 HD21 ASN 98 14.218 -1.277 1.996 640 HD22 ASN 98 HD22 ASN 98 13.185 -1.342 3.371 641 H ARG 99 H ARG 99 14.404 2.913 -1.117 642 HA ARG 99 HA ARG 99 17.094 4.175 -1.215 643 HB2 ARG 99 HB2 ARG 99 15.421 3.106 -3.509 644 HB3 ARG 99 HB3 ARG 99 17.031 3.782 -3.626 645 HG2 ARG 99 HG2 ARG 99 16.314 1.302 -2.158 646 HG3 ARG 99 HG3 ARG 99 16.868 1.323 -3.845 647 HD2 ARG 99 HD2 ARG 99 18.991 2.374 -3.019 648 HD3 ARG 99 HD3 ARG 99 18.394 2.185 -1.370 649 HE ARG 99 HE ARG 99 18.534 -0.187 -3.025 650 HH11 ARG 99 HH11 ARG 99 20.067 1.733 -0.491 651 HH12 ARG 99 HH12 ARG 99 20.976 0.435 0.131 652 HH21 ARG 99 HH21 ARG 99 19.782 -1.980 -2.153 653 HH22 ARG 99 HH22 ARG 99 20.788 -1.705 -0.796 654 H GLU 100 H GLU 100 16.955 6.203 -2.484 655 HA GLU 100 HA GLU 100 14.690 7.727 -1.805 656 HB2 GLU 100 HB2 GLU 100 16.895 8.758 -2.336 657 HB3 GLU 100 HB3 GLU 100 16.654 8.347 -4.033 658 HG2 GLU 100 HG2 GLU 100 14.647 9.764 -4.050 659 HG3 GLU 100 HG3 GLU 100 14.971 10.218 -2.382 660 H TRP 101 H TRP 101 12.740 7.908 -2.663 661 HA TRP 101 HA TRP 101 11.958 6.176 -4.806 662 HB2 TRP 101 HB2 TRP 101 10.338 6.375 -3.027 663 HB3 TRP 101 HB3 TRP 101 10.542 8.089 -2.967 664 HD1 TRP 101 HD TRP 101 9.227 9.568 -4.672 665 HE1 TRP 101 HE1 TRP 101 7.175 9.120 -6.150 666 HE3 TRP 101 HE3 TRP 101 9.211 4.534 -4.407 667 HZ2 TRP 101 HZ2 TRP 101 5.726 6.908 -7.077 668 HZ3 TRP 101 HZ3 TRP 101 7.428 3.280 -5.630 669 HH2 TRP 101 HH TRP 101 5.723 4.498 -6.939 670 H GLU 102 H GLU 102 11.416 6.632 -6.857 671 HA GLU 102 HA GLU 102 11.554 9.430 -7.724 672 HB2 GLU 102 HB2 GLU 102 12.566 6.975 -9.171 673 HB3 GLU 102 HB3 GLU 102 12.418 8.564 -9.904 674 HG2 GLU 102 HG2 GLU 102 14.000 9.468 -8.309 675 HG3 GLU 102 HG3 GLU 102 14.159 7.888 -7.541 676 H PHE 103 H PHE 103 9.786 10.120 -8.783 677 HA PHE 103 HA PHE 103 7.536 8.363 -9.222 678 HB2 PHE 103 HB2 PHE 103 8.037 11.260 -9.806 679 HB3 PHE 103 HB3 PHE 103 6.577 10.478 -10.376 680 HD1 PHE 103 HD2 PHE 103 5.023 9.532 -8.685 681 HD2 PHE 103 HD3 PHE 103 8.256 12.047 -7.662 682 HE1 PHE 103 HE2 PHE 103 3.916 10.043 -6.542 683 HE2 PHE 103 HE1 PHE 103 7.169 12.595 -5.502 684 HZ PHE 103 HZ PHE 103 4.989 11.588 -4.953 685 H GLN 104 H GLN 104 6.888 7.394 -11.043 686 HA GLN 104 HA GLN 104 8.532 7.802 -13.420 687 HB2 GLN 104 HB2 GLN 104 8.125 5.500 -12.300 688 HB3 GLN 104 HB3 GLN 104 6.514 5.601 -12.951 689 HG2 GLN 104 HG2 GLN 104 9.026 5.670 -14.611 690 HG3 GLN 104 HG3 GLN 104 8.104 4.226 -14.231 691 HE21 GLN 104 HE21 GLN 104 6.142 3.878 -15.232 692 HE22 GLN 104 HE22 GLN 104 5.625 4.790 -16.605 693 H LYS 105 H LYS 105 5.162 6.742 -13.077 694 HA LYS 105 HA LYS 105 4.121 9.170 -14.213 695 HB2 LYS 105 HB2 LYS 105 4.916 7.902 -16.218 696 HB3 LYS 105 HB3 LYS 105 3.928 6.547 -15.700 697 HG2 LYS 105 HG2 LYS 105 1.928 7.788 -16.041 698 HG3 LYS 105 HG3 LYS 105 2.813 9.263 -16.426 699 HD2 LYS 105 HD2 LYS 105 3.750 8.125 -18.414 700 HD3 LYS 105 HD3 LYS 105 2.813 6.684 -18.015 701 HE2 LYS 105 HE2 LYS 105 1.664 7.990 -19.736 702 HE3 LYS 105 HE1 LYS 105 0.739 7.978 -18.245 703 HZ1 LYS 105 HZ1 LYS 105 2.483 10.215 -19.156 704 HZ2 LYS 105 HZ2 LYS 105 1.574 10.168 -17.727 705 HZ3 LYS 105 HZ3 LYS 105 0.785 10.191 -19.198 706 H TYR 106 H TYR 106 1.870 9.254 -14.109 707 HA TYR 106 HA TYR 106 0.595 7.854 -12.026 708 HB2 TYR 106 HB2 TYR 106 -0.379 9.481 -14.293 709 HB3 TYR 106 HB3 TYR 106 -1.548 8.657 -13.257 710 HD1 TYR 106 HD2 TYR 106 -1.273 9.105 -10.801 711 HD2 TYR 106 HD3 TYR 106 0.346 11.580 -13.801 712 HE1 TYR 106 HE2 TYR 106 -1.219 11.014 -9.170 713 HE2 TYR 106 HE1 TYR 106 0.410 13.500 -12.247 714 HH TYR 106 HH TYR 106 -0.793 14.211 -10.142 715 H GLY 107 H GLY 107 -1.380 6.544 -12.307 716 HA2 GLY 107 HA2 GLY 107 -0.629 4.192 -13.538 717 HA3 GLY 107 HA3 GLY 107 -2.170 4.481 -12.778 718 H HIS 108 H HIS 108 -2.252 2.836 -14.855 719 HA HIS 108 HA HIS 108 -3.299 4.460 -17.029 720 HB2 HIS 108 HB2 HIS 108 -2.823 2.235 -18.390 721 HB3 HIS 108 HB3 HIS 108 -1.551 3.430 -18.156 722 HD2 HIS 108 HD2 HIS 108 0.725 2.109 -17.618 723 HE1 HIS 108 HE1 HIS 108 -0.944 -1.013 -15.275 724 HE2 HIS 108 HE2 HIS 108 1.188 0.205 -15.970 Start of MODEL 6 1 H1 GLY 9 H GLY 9 7.963 12.917 -17.746 2 HA2 GLY 9 HA2 GLY 9 7.362 12.620 -19.987 3 HA3 GLY 9 HA3 GLY 9 5.839 11.916 -19.454 4 H GLY 10 H GLY 10 6.762 14.986 -18.185 5 HA2 GLY 10 HA2 GLY 10 5.985 16.800 -20.021 6 HA3 GLY 10 HA3 GLY 10 4.458 16.202 -19.383 7 H GLY 11 H GLY 11 5.781 18.857 -19.179 8 HA2 GLY 11 HA2 GLY 11 5.895 19.002 -16.240 9 HA3 GLY 11 HA3 GLY 11 6.745 20.098 -17.318 10 H GLY 12 H GLY 12 3.665 19.288 -18.468 11 HA2 GLY 12 HA2 GLY 12 2.735 21.972 -17.868 12 HA3 GLY 12 HA3 GLY 12 2.012 20.833 -18.999 13 H THR 13 H THR 13 1.647 22.332 -16.085 14 HA THR 13 HA THR 13 -0.327 20.338 -15.213 15 HB THR 13 HB THR 13 1.276 22.241 -13.476 16 HG1 THR 13 HG3 THR 13 2.161 20.210 -14.525 17 HG21 THR 13 HG21 THR 13 -0.669 20.037 -12.751 18 HG22 THR 13 HG22 THR 13 -0.967 21.762 -12.574 19 HG23 THR 13 HG23 THR 13 0.286 20.975 -11.600 20 H ASN 14 H ASN 14 -2.338 21.080 -15.148 21 HA ASN 14 HA ASN 14 -2.815 23.870 -15.816 22 HB2 ASN 14 HB2 ASN 14 -5.189 23.172 -16.145 23 HB3 ASN 14 HB3 ASN 14 -4.043 22.327 -17.168 24 HD21 ASN 14 HD21 ASN 14 -4.658 21.533 -13.734 25 HD22 ASN 14 HD22 ASN 14 -5.376 20.006 -14.075 26 H SER 15 H SER 15 -4.608 25.055 -14.775 27 HA SER 15 HA SER 15 -4.278 25.178 -11.977 28 HB2 SER 15 HB2 SER 15 -6.443 26.358 -13.738 29 HB3 SER 15 HB3 SER 15 -6.082 26.850 -12.080 30 HG SER 15 HG SER 15 -4.509 27.143 -14.409 31 H GLY 16 H GLY 16 -5.816 24.660 -10.310 32 HA2 GLY 16 HA2 GLY 16 -7.008 22.097 -10.967 33 HA3 GLY 16 HA3 GLY 16 -6.638 22.717 -9.373 34 H ALA 17 H ALA 17 -8.515 24.585 -11.690 35 HA ALA 17 HA ALA 17 -10.759 24.572 -9.905 36 HB1 ALA 17 HB1 ALA 17 -10.265 26.547 -11.283 37 HB2 ALA 17 HB2 ALA 17 -11.880 25.928 -11.610 38 HB3 ALA 17 HB3 ALA 17 -10.567 25.605 -12.741 39 H GLY 18 H GLY 18 -11.793 22.714 -9.677 40 HA2 GLY 18 HA2 GLY 18 -13.276 21.029 -10.385 41 HA3 GLY 18 HA3 GLY 18 -12.840 21.384 -12.057 42 H LYS 19 H LYS 19 -11.640 19.964 -9.082 43 HA LYS 19 HA LYS 19 -9.839 18.266 -10.675 44 HB2 LYS 19 HB2 LYS 19 -8.198 18.376 -8.880 45 HB3 LYS 19 HB3 LYS 19 -8.550 19.995 -9.469 46 HG2 LYS 19 HG2 LYS 19 -9.833 20.518 -7.557 47 HG3 LYS 19 HG3 LYS 19 -9.890 18.840 -7.038 48 HD2 LYS 19 HD2 LYS 19 -8.331 20.086 -5.646 49 HD3 LYS 19 HD3 LYS 19 -7.444 18.923 -6.624 50 HE2 LYS 19 HE2 LYS 19 -7.778 21.699 -7.654 51 HE3 LYS 19 HE1 LYS 19 -6.643 21.426 -6.339 52 HZ1 LYS 19 HZ1 LYS 19 -6.522 20.062 -9.028 53 HZ2 LYS 19 HZ2 LYS 19 -5.472 19.833 -7.698 54 HZ3 LYS 19 HZ3 LYS 19 -5.535 21.301 -8.433 55 H LYS 20 H LYS 20 -9.201 16.298 -9.407 56 HA LYS 20 HA LYS 20 -11.405 15.187 -7.923 57 HB2 LYS 20 HB2 LYS 20 -8.555 14.245 -8.352 58 HB3 LYS 20 HB3 LYS 20 -9.757 13.334 -7.452 59 HG2 LYS 20 HG2 LYS 20 -11.134 13.154 -9.445 60 HG3 LYS 20 HG3 LYS 20 -9.950 14.097 -10.356 61 HD2 LYS 20 HD2 LYS 20 -8.274 12.382 -10.016 62 HD3 LYS 20 HD3 LYS 20 -9.382 11.461 -9.002 63 HE2 LYS 20 HE2 LYS 20 -9.278 10.532 -11.261 64 HE3 LYS 20 HE1 LYS 20 -10.885 11.155 -10.899 65 HZ1 LYS 20 HZ1 LYS 20 -8.835 12.667 -12.456 66 HZ2 LYS 20 HZ2 LYS 20 -10.480 13.064 -12.224 67 HZ3 LYS 20 HZ3 LYS 20 -10.061 11.713 -13.122 68 H ARG 21 H ARG 21 -11.573 15.087 -5.719 69 HA ARG 21 HA ARG 21 -9.897 17.062 -4.455 70 HB2 ARG 21 HB2 ARG 21 -11.558 17.048 -2.610 71 HB3 ARG 21 HB3 ARG 21 -12.227 17.469 -4.174 72 HG2 ARG 21 HG2 ARG 21 -13.098 15.162 -4.377 73 HG3 ARG 21 HG3 ARG 21 -12.493 14.830 -2.752 74 HD2 ARG 21 HD2 ARG 21 -14.836 15.393 -2.624 75 HD3 ARG 21 HD3 ARG 21 -13.879 16.695 -1.900 76 HE ARG 21 HE ARG 21 -14.282 17.266 -4.596 77 HH11 ARG 21 HH11 ARG 21 -16.183 17.049 -1.612 78 HH12 ARG 21 HH12 ARG 21 -17.315 18.227 -2.094 79 HH21 ARG 21 HH21 ARG 21 -15.855 18.888 -5.256 80 HH22 ARG 21 HH22 ARG 21 -17.121 19.282 -4.186 81 H PHE 22 H PHE 22 -8.080 16.335 -3.870 82 HA PHE 22 HA PHE 22 -7.659 13.761 -2.688 83 HB2 PHE 22 HB2 PHE 22 -5.816 16.172 -2.768 84 HB3 PHE 22 HB3 PHE 22 -5.352 14.521 -2.423 85 HD1 PHE 22 HD3 PHE 22 -5.622 12.792 -4.299 86 HD2 PHE 22 HD2 PHE 22 -5.817 16.999 -4.939 87 HE1 PHE 22 HE1 PHE 22 -5.154 12.454 -6.691 88 HE2 PHE 22 HE2 PHE 22 -5.356 16.663 -7.327 89 HZ PHE 22 HZ PHE 22 -5.026 14.390 -8.209 90 H GLU 23 H GLU 23 -7.543 13.317 -0.488 91 HA GLU 23 HA GLU 23 -7.603 15.634 1.288 92 HB2 GLU 23 HB2 GLU 23 -9.823 14.537 1.244 93 HB3 GLU 23 HB3 GLU 23 -9.072 13.027 1.754 94 HG2 GLU 23 HG2 GLU 23 -8.432 14.021 3.860 95 HG3 GLU 23 HG3 GLU 23 -9.043 15.587 3.342 96 H VAL 24 H VAL 24 -6.039 15.729 2.682 97 HA VAL 24 HA VAL 24 -4.589 13.258 3.244 98 HB VAL 24 HB VAL 24 -3.197 14.553 1.756 99 HG11 VAL 24 HG11 VAL 24 -3.524 16.866 3.653 100 HG12 VAL 24 HG12 VAL 24 -4.196 16.735 2.028 101 HG13 VAL 24 HG13 VAL 24 -2.446 16.834 2.255 102 HG21 VAL 24 HG21 VAL 24 -2.001 13.411 3.532 103 HG22 VAL 24 HG22 VAL 24 -2.210 14.799 4.597 104 HG23 VAL 24 HG23 VAL 24 -1.196 14.939 3.163 105 H LYS 25 H LYS 25 -4.481 12.768 5.291 106 HA LYS 25 HA LYS 25 -4.534 14.866 7.312 107 HB2 LYS 25 HB2 LYS 25 -6.121 12.280 7.355 108 HB3 LYS 25 HB3 LYS 25 -5.937 13.353 8.734 109 HG2 LYS 25 HG2 LYS 25 -7.109 15.118 7.462 110 HG3 LYS 25 HG3 LYS 25 -7.328 13.982 6.135 111 HD2 LYS 25 HD2 LYS 25 -8.373 13.554 8.942 112 HD3 LYS 25 HD3 LYS 25 -9.328 14.219 7.627 113 HE2 LYS 25 HE2 LYS 25 -9.946 12.015 7.476 114 HE3 LYS 25 HE1 LYS 25 -8.541 11.994 6.412 115 HZ1 LYS 25 HZ1 LYS 25 -7.220 11.092 8.330 116 HZ2 LYS 25 HZ2 LYS 25 -8.520 10.132 7.933 117 HZ3 LYS 25 HZ3 LYS 25 -8.622 11.093 9.268 118 H LYS 26 H LYS 26 -3.236 14.328 9.098 119 HA LYS 26 HA LYS 26 -1.190 12.416 8.661 120 HB2 LYS 26 HB2 LYS 26 -0.974 14.400 10.149 121 HB3 LYS 26 HB3 LYS 26 -2.094 13.647 11.276 122 HG2 LYS 26 HG2 LYS 26 -0.524 11.827 11.656 123 HG3 LYS 26 HG3 LYS 26 0.597 12.530 10.493 124 HD2 LYS 26 HD2 LYS 26 -0.353 13.941 12.988 125 HD3 LYS 26 HD3 LYS 26 1.140 13.012 12.896 126 HE2 LYS 26 HE2 LYS 26 0.487 15.381 11.136 127 HE3 LYS 26 HE1 LYS 26 1.455 15.457 12.600 128 HZ1 LYS 26 HZ1 LYS 26 2.179 13.750 10.256 129 HZ2 LYS 26 HZ2 LYS 26 3.117 14.093 11.614 130 HZ3 LYS 26 HZ3 LYS 26 2.738 15.317 10.524 131 H SER 27 H SER 27 -1.308 10.292 8.882 132 HA SER 27 HA SER 27 -3.730 9.074 9.688 133 HB2 SER 27 HB2 SER 27 -1.074 7.783 9.077 134 HB3 SER 27 HB3 SER 27 -2.668 7.022 9.023 135 HG SER 27 HG SER 27 -3.217 8.606 7.404 136 H ASN 28 H ASN 28 -4.155 7.777 11.461 137 HA ASN 28 HA ASN 28 -2.521 8.308 13.791 138 HB2 ASN 28 HB2 ASN 28 -4.273 7.233 15.096 139 HB3 ASN 28 HB3 ASN 28 -5.007 8.347 13.960 140 HD21 ASN 28 HD21 ASN 28 -6.281 6.204 15.297 141 HD22 ASN 28 HD22 ASN 28 -6.832 5.076 14.129 142 H ALA 29 H ALA 29 -2.441 6.141 11.375 143 HA ALA 29 HA ALA 29 -0.781 4.303 12.956 144 HB1 ALA 29 HB1 ALA 29 -1.200 2.646 11.166 145 HB2 ALA 29 HB2 ALA 29 -2.295 3.787 10.382 146 HB3 ALA 29 HB3 ALA 29 -2.690 3.134 11.972 147 H SER 30 H SER 30 1.337 4.445 12.471 148 HA SER 30 HA SER 30 2.146 6.204 10.335 149 HB2 SER 30 HB2 SER 30 3.748 4.711 12.417 150 HB3 SER 30 HB3 SER 30 4.411 5.891 11.286 151 HG SER 30 HG SER 30 2.329 7.027 12.457 152 H ALA 31 H ALA 31 3.678 5.616 8.713 153 HA ALA 31 HA ALA 31 3.574 2.766 7.998 154 HB1 ALA 31 HB1 ALA 31 2.530 4.284 6.359 155 HB2 ALA 31 HB2 ALA 31 3.952 3.488 5.694 156 HB3 ALA 31 HB3 ALA 31 4.050 5.166 6.222 157 H GLN 32 H GLN 32 5.482 1.718 7.449 158 HA GLN 32 HA GLN 32 7.942 3.250 7.900 159 HB2 GLN 32 HB2 GLN 32 8.879 1.531 9.310 160 HB3 GLN 32 HB3 GLN 32 7.366 2.088 10.001 161 HG2 GLN 32 HG2 GLN 32 6.228 0.117 9.177 162 HG3 GLN 32 HG3 GLN 32 7.710 -0.420 8.381 163 HE21 GLN 32 HE21 GLN 32 6.045 -0.048 11.375 164 HE22 GLN 32 HE22 GLN 32 7.128 -0.995 12.348 165 H SER 33 H SER 33 9.891 2.032 7.239 166 HA SER 33 HA SER 33 9.609 0.991 4.626 167 HB2 SER 33 HB2 SER 33 12.006 0.728 6.449 168 HB3 SER 33 HB3 SER 33 11.987 0.807 4.680 169 HG SER 33 HG SER 33 11.534 2.804 6.584 170 H ALA 34 H ALA 34 9.662 -1.133 3.967 171 HA ALA 34 HA ALA 34 10.027 -3.279 5.844 172 HB1 ALA 34 HB1 ALA 34 7.787 -4.211 5.571 173 HB2 ALA 34 HB2 ALA 34 7.317 -2.829 4.581 174 HB3 ALA 34 HB3 ALA 34 7.694 -2.601 6.286 175 H TRP 35 H TRP 35 9.942 -5.356 4.736 176 HA TRP 35 HA TRP 35 10.712 -4.978 1.949 177 HB2 TRP 35 HB2 TRP 35 12.284 -6.210 3.393 178 HB3 TRP 35 HB3 TRP 35 11.034 -7.419 3.702 179 HD1 TRP 35 HD TRP 35 10.835 -9.363 1.991 180 HE1 TRP 35 HE1 TRP 35 11.970 -9.921 -0.251 181 HE3 TRP 35 HE3 TRP 35 13.317 -4.962 1.213 182 HZ2 TRP 35 HZ2 TRP 35 13.684 -8.675 -2.096 183 HZ3 TRP 35 HZ3 TRP 35 14.680 -4.726 -0.817 184 HH2 TRP 35 HH TRP 35 14.861 -6.544 -2.438 185 H ASP 36 H ASP 36 9.187 -5.186 0.505 186 HA ASP 36 HA ASP 36 7.403 -7.480 0.637 187 HB2 ASP 36 HB2 ASP 36 6.286 -5.302 1.525 188 HB3 ASP 36 HB3 ASP 36 6.373 -4.752 -0.145 189 H ILE 37 H ILE 37 7.109 -8.352 -1.363 190 HA ILE 37 HA ILE 37 8.714 -7.129 -3.477 191 HB ILE 37 HB ILE 37 8.709 -9.349 -4.553 192 HG12 ILE 37 HG12 ILE 37 7.260 -10.295 -2.059 193 HG13 ILE 37 HG11 ILE 37 6.514 -10.100 -3.639 194 HG21 ILE 37 HG21 ILE 37 10.150 -10.485 -2.905 195 HG22 ILE 37 HG22 ILE 37 9.600 -9.353 -1.674 196 HG23 ILE 37 HG23 ILE 37 10.533 -8.768 -3.046 197 HD11 ILE 37 HD11 ILE 37 8.740 -12.011 -2.951 198 HD12 ILE 37 HD31 ILE 37 7.044 -12.424 -3.204 199 HD13 ILE 37 HD21 ILE 37 8.008 -11.810 -4.545 200 H VAL 38 H VAL 38 5.574 -7.178 -2.584 201 HA VAL 38 HA VAL 38 4.444 -7.725 -5.217 202 HB VAL 38 HB VAL 38 3.078 -7.043 -2.604 203 HG11 VAL 38 HG11 VAL 38 1.896 -7.985 -5.186 204 HG12 VAL 38 HG12 VAL 38 1.665 -6.414 -4.407 205 HG13 VAL 38 HG13 VAL 38 1.044 -7.881 -3.647 206 HG21 VAL 38 HG21 VAL 38 4.239 -9.178 -2.463 207 HG22 VAL 38 HG22 VAL 38 3.472 -9.712 -3.958 208 HG23 VAL 38 HG23 VAL 38 2.497 -9.437 -2.515 209 H VAL 39 H VAL 39 3.869 -6.177 -6.608 210 HA VAL 39 HA VAL 39 3.684 -3.434 -5.601 211 HB VAL 39 HB VAL 39 4.055 -2.718 -7.996 212 HG11 VAL 39 HG11 VAL 39 6.277 -4.116 -6.520 213 HG12 VAL 39 HG12 VAL 39 5.751 -2.412 -6.417 214 HG13 VAL 39 HG13 VAL 39 6.499 -3.005 -7.885 215 HG21 VAL 39 HG21 VAL 39 5.228 -4.291 -9.480 216 HG22 VAL 39 HG22 VAL 39 3.590 -4.825 -9.101 217 HG23 VAL 39 HG23 VAL 39 4.963 -5.580 -8.304 218 H ASP 40 H ASP 40 1.751 -5.858 -6.294 219 HA ASP 40 HA ASP 40 -0.152 -4.143 -7.694 220 HB2 ASP 40 HB2 ASP 40 -1.650 -6.059 -7.909 221 HB3 ASP 40 HB3 ASP 40 -0.095 -6.289 -8.690 222 H ASN 41 H ASN 41 0.734 -4.621 -4.686 223 HA ASN 41 HA ASN 41 -1.812 -3.543 -3.825 224 HB2 ASN 41 HB2 ASN 41 -0.320 -5.786 -2.574 225 HB3 ASN 41 HB3 ASN 41 -0.893 -4.546 -1.467 226 HD21 ASN 41 HD21 ASN 41 -2.359 -6.072 -0.521 227 HD22 ASN 41 HD22 ASN 41 -3.812 -6.496 -1.349 228 H CYS 42 H CYS 42 -1.676 -1.859 -2.435 229 HA CYS 42 HA CYS 42 0.782 -0.346 -2.571 230 HB2 CYS 42 HB2 CYS 42 -1.679 0.528 -2.707 231 HB3 CYS 42 HB3 CYS 42 -1.701 0.249 -1.006 232 H ALA 43 H ALA 43 2.295 -0.801 -1.097 233 HA ALA 43 HA ALA 43 1.687 -2.433 1.194 234 HB1 ALA 43 HB1 ALA 43 4.273 -1.056 0.486 235 HB2 ALA 43 HB2 ALA 43 3.799 -2.686 -0.019 236 HB3 ALA 43 HB3 ALA 43 4.063 -2.329 1.690 237 H ILE 44 H ILE 44 1.688 0.822 0.541 238 HA ILE 44 HA ILE 44 2.638 1.838 3.004 239 HB ILE 44 HB ILE 44 1.018 3.197 0.836 240 HG12 ILE 44 HG12 ILE 44 3.999 2.916 1.285 241 HG13 ILE 44 HG11 ILE 44 3.045 2.186 0.048 242 HG21 ILE 44 HG21 ILE 44 2.727 4.319 3.071 243 HG22 ILE 44 HG22 ILE 44 0.968 4.444 2.941 244 HG23 ILE 44 HG23 ILE 44 2.003 5.255 1.763 245 HD11 ILE 44 HD11 ILE 44 3.352 5.152 0.302 246 HD12 ILE 44 HD31 ILE 44 4.273 4.125 -0.797 247 HD13 ILE 44 HD21 ILE 44 2.519 4.272 -0.986 248 H CYS 45 H CYS 45 -0.550 1.250 1.633 249 HA CYS 45 HA CYS 45 -1.815 1.919 4.199 250 HB2 CYS 45 HB2 CYS 45 -3.889 1.951 2.827 251 HB3 CYS 45 HB3 CYS 45 -2.702 3.163 2.327 252 H ARG 46 H ARG 46 -1.095 -0.550 1.907 253 HA ARG 46 HA ARG 46 -1.083 -2.735 2.004 254 HB2 ARG 46 HB2 ARG 46 -2.732 -2.410 4.444 255 HB3 ARG 46 HB3 ARG 46 -2.326 -4.019 3.810 256 HG2 ARG 46 HG2 ARG 46 -0.546 -1.914 5.039 257 HG3 ARG 46 HG3 ARG 46 -0.858 -3.577 5.554 258 HD2 ARG 46 HD2 ARG 46 0.739 -2.634 3.177 259 HD3 ARG 46 HD3 ARG 46 1.334 -3.499 4.584 260 HE ARG 46 HE ARG 46 -0.627 -5.035 3.264 261 HH11 ARG 46 HH11 ARG 46 2.806 -4.066 3.057 262 HH12 ARG 46 HH12 ARG 46 3.175 -5.290 1.915 263 HH21 ARG 46 HH21 ARG 46 -0.033 -6.674 1.661 264 HH22 ARG 46 HH22 ARG 46 1.571 -6.790 1.119 265 H ASN 47 H ASN 47 -3.051 -0.870 0.883 266 HA ASN 47 HA ASN 47 -5.346 -2.637 0.455 267 HB2 ASN 47 HB2 ASN 47 -4.775 0.247 -0.048 268 HB3 ASN 47 HB3 ASN 47 -6.038 -0.542 -0.958 269 HD21 ASN 47 HD21 ASN 47 -7.913 -1.218 0.143 270 HD22 ASN 47 HD22 ASN 47 -8.311 -0.628 1.720 271 H HIS 48 H HIS 48 -6.133 -2.274 -2.040 272 HA HIS 48 HA HIS 48 -4.145 -3.745 -3.505 273 HB2 HIS 48 HB2 HIS 48 -6.625 -4.166 -3.684 274 HB3 HIS 48 HB3 HIS 48 -6.776 -2.630 -4.526 275 HD2 HIS 48 HD2 HIS 48 -4.424 -5.741 -5.218 276 HE1 HIS 48 HE1 HIS 48 -6.354 -4.593 -8.815 277 HE2 HIS 48 HE2 HIS 48 -4.527 -5.958 -7.811 278 H ILE 49 H ILE 49 -3.359 -3.084 -5.714 279 HA ILE 49 HA ILE 49 -1.973 -0.691 -5.481 280 HB ILE 49 HB ILE 49 -1.057 -2.454 -6.825 281 HG12 ILE 49 HG12 ILE 49 -0.495 -1.203 -8.933 282 HG13 ILE 49 HG11 ILE 49 -1.795 -0.109 -8.540 283 HG21 ILE 49 HG21 ILE 49 -3.412 -2.094 -8.672 284 HG22 ILE 49 HG22 ILE 49 -3.062 -3.506 -7.669 285 HG23 ILE 49 HG23 ILE 49 -2.001 -3.093 -9.018 286 HD11 ILE 49 HD11 ILE 49 0.548 -0.579 -6.775 287 HD12 ILE 49 HD31 ILE 49 0.355 0.803 -7.895 288 HD13 ILE 49 HD21 ILE 49 -0.808 0.581 -6.586 289 H MET 50 H MET 50 -4.795 -1.417 -7.419 290 HA MET 50 HA MET 50 -5.046 1.404 -7.749 291 HB2 MET 50 HB2 MET 50 -4.034 0.730 -9.707 292 HB3 MET 50 HB3 MET 50 -5.063 -0.643 -9.981 293 HG2 MET 50 HG2 MET 50 -6.924 0.937 -10.443 294 HG3 MET 50 HG3 MET 50 -5.825 2.289 -10.148 295 HE1 MET 50 HE1 MET 50 -6.891 -0.592 -12.576 296 HE2 MET 50 HE2 MET 50 -5.306 -1.147 -12.045 297 HE3 MET 50 HE3 MET 50 -5.547 -0.638 -13.713 298 H ASP 51 H ASP 51 -6.603 1.467 -6.303 299 HA ASP 51 HA ASP 51 -9.282 0.710 -6.760 300 HB2 ASP 51 HB2 ASP 51 -8.212 -1.535 -6.158 301 HB3 ASP 51 HB3 ASP 51 -7.774 -0.830 -4.612 302 H LEU 52 H LEU 52 -10.223 0.855 -4.196 303 HA LEU 52 HA LEU 52 -9.728 3.545 -3.332 304 HB2 LEU 52 HB2 LEU 52 -11.234 1.240 -2.134 305 HB3 LEU 52 HB3 LEU 52 -11.206 2.861 -1.463 306 HG LEU 52 HG LEU 52 -12.203 2.259 -4.242 307 HD11 LEU 52 HD11 LEU 52 -13.600 1.062 -2.663 308 HD12 LEU 52 HD12 LEU 52 -14.472 2.455 -3.277 309 HD13 LEU 52 HD13 LEU 52 -13.759 2.495 -1.666 310 HD21 LEU 52 HD21 LEU 52 -13.296 4.470 -3.933 311 HD22 LEU 52 HD22 LEU 52 -11.537 4.542 -3.936 312 HD23 LEU 52 HD23 LEU 52 -12.423 4.635 -2.406 313 H CYS 53 H CYS 53 -8.565 4.309 -1.660 314 HA CYS 53 HA CYS 53 -6.543 2.615 -0.462 315 HB2 CYS 53 HB2 CYS 53 -7.209 5.482 0.251 316 HB3 CYS 53 HB3 CYS 53 -5.685 4.644 0.485 317 H ILE 54 H ILE 54 -6.328 3.570 2.035 318 HA ILE 54 HA ILE 54 -7.900 2.126 3.718 319 HB ILE 54 HB ILE 54 -7.283 3.997 5.430 320 HG12 ILE 54 HG12 ILE 54 -5.559 4.753 3.047 321 HG13 ILE 54 HG11 ILE 54 -6.757 5.741 3.754 322 HG21 ILE 54 HG21 ILE 54 -6.283 1.877 5.471 323 HG22 ILE 54 HG22 ILE 54 -4.989 3.088 5.544 324 HG23 ILE 54 HG23 ILE 54 -5.329 2.233 4.029 325 HD11 ILE 54 HD11 ILE 54 -4.268 4.862 5.162 326 HD12 ILE 54 HD31 ILE 54 -4.588 6.450 4.448 327 HD13 ILE 54 HD21 ILE 54 -5.547 5.900 5.826 328 H GLU 55 H GLU 55 -8.199 5.545 4.243 329 HA GLU 55 HA GLU 55 -10.868 5.325 5.148 330 HB2 GLU 55 HB2 GLU 55 -9.281 7.751 4.437 331 HB3 GLU 55 HB3 GLU 55 -10.682 7.722 5.460 332 HG2 GLU 55 HG2 GLU 55 -9.435 6.203 7.064 333 HG3 GLU 55 HG3 GLU 55 -8.039 6.427 6.056 334 H CYS 56 H CYS 56 -9.448 5.765 2.132 335 HA CYS 56 HA CYS 56 -11.158 7.590 0.902 336 HB2 CYS 56 HB2 CYS 56 -9.658 5.291 -0.301 337 HB3 CYS 56 HB3 CYS 56 -10.423 6.575 -1.232 338 H GLN 57 H GLN 57 -11.511 4.058 1.166 339 HA GLN 57 HA GLN 57 -13.794 3.890 -0.410 340 HB2 GLN 57 HB2 GLN 57 -14.260 1.753 0.900 341 HB3 GLN 57 HB3 GLN 57 -12.710 1.854 0.087 342 HG2 GLN 57 HG2 GLN 57 -12.107 0.967 2.119 343 HG3 GLN 57 HG3 GLN 57 -11.842 2.673 2.380 344 HE21 GLN 57 HE21 GLN 57 -15.049 1.199 2.327 345 HE22 GLN 57 HE22 GLN 57 -15.370 1.454 3.996 346 H ALA 58 H ALA 58 -13.542 4.475 3.058 347 HA ALA 58 HA ALA 58 -16.344 4.745 3.479 348 HB1 ALA 58 HB1 ALA 58 -14.803 4.253 5.320 349 HB2 ALA 58 HB2 ALA 58 -15.715 5.731 5.640 350 HB3 ALA 58 HB3 ALA 58 -14.039 5.829 5.108 351 H ASN 59 H ASN 59 -13.803 6.871 2.506 352 HA ASN 59 HA ASN 59 -14.910 9.412 3.069 353 HB2 ASN 59 HB2 ASN 59 -12.496 8.646 2.413 354 HB3 ASN 59 HB3 ASN 59 -13.069 8.832 0.769 355 HD21 ASN 59 HD21 ASN 59 -12.054 10.363 3.640 356 HD22 ASN 59 HD22 ASN 59 -11.995 11.959 3.072 357 H GLN 60 H GLN 60 -14.794 7.314 0.304 358 HA GLN 60 HA GLN 60 -15.523 7.535 -1.796 359 HB2 GLN 60 HB2 GLN 60 -17.835 6.871 -1.927 360 HB3 GLN 60 HB3 GLN 60 -17.000 6.031 -0.665 361 HG2 GLN 60 HG2 GLN 60 -18.017 7.479 1.025 362 HG3 GLN 60 HG3 GLN 60 -18.908 8.323 -0.243 363 HE21 GLN 60 HE21 GLN 60 -20.911 7.752 0.563 364 HE22 GLN 60 HE22 GLN 60 -21.510 6.130 0.477 365 H ALA 61 H ALA 61 -14.677 9.612 -2.076 366 HA ALA 61 HA ALA 61 -16.636 11.792 -2.219 367 HB1 ALA 61 HB1 ALA 61 -14.661 13.241 -2.432 368 HB2 ALA 61 HB2 ALA 61 -13.617 11.816 -2.400 369 HB3 ALA 61 HB3 ALA 61 -14.574 12.239 -0.982 370 H SER 62 H SER 62 -15.518 13.348 -4.149 371 HA SER 62 HA SER 62 -16.167 12.089 -6.591 372 HB2 SER 62 HB2 SER 62 -14.669 14.681 -6.135 373 HB3 SER 62 HB3 SER 62 -15.477 14.191 -7.621 374 HG SER 62 HG SER 62 -17.206 14.887 -6.886 375 H ALA 63 H ALA 63 -14.782 10.250 -6.360 376 HA ALA 63 HA ALA 63 -12.361 10.518 -7.868 377 HB1 ALA 63 HB1 ALA 63 -10.983 9.293 -6.226 378 HB2 ALA 63 HB2 ALA 63 -12.315 9.345 -5.073 379 HB3 ALA 63 HB3 ALA 63 -11.521 10.839 -5.567 380 H THR 64 H THR 64 -11.712 8.413 -8.656 381 HA THR 64 HA THR 64 -13.964 6.725 -9.157 382 HB THR 64 HB THR 64 -11.065 6.126 -9.764 383 HG1 THR 64 HG3 THR 64 -11.284 8.046 -10.576 384 HG21 THR 64 HG21 THR 64 -13.651 5.457 -11.191 385 HG22 THR 64 HG22 THR 64 -12.700 4.346 -10.215 386 HG23 THR 64 HG23 THR 64 -12.032 4.987 -11.719 387 H SER 65 H SER 65 -14.476 4.756 -8.218 388 HA SER 65 HA SER 65 -12.955 4.064 -5.846 389 HB2 SER 65 HB2 SER 65 -15.502 2.870 -6.965 390 HB3 SER 65 HB3 SER 65 -14.821 2.546 -5.368 391 HG SER 65 HG SER 65 -15.035 5.177 -5.843 392 H GLU 66 H GLU 66 -13.459 3.035 -9.065 393 HA GLU 66 HA GLU 66 -12.313 0.459 -8.958 394 HB2 GLU 66 HB2 GLU 66 -13.565 1.446 -10.897 395 HB3 GLU 66 HB3 GLU 66 -12.208 2.502 -11.186 396 HG2 GLU 66 HG2 GLU 66 -12.140 0.659 -12.720 397 HG3 GLU 66 HG3 GLU 66 -10.775 0.563 -11.606 398 H GLU 67 H GLU 67 -11.022 3.706 -9.119 399 HA GLU 67 HA GLU 67 -8.424 2.816 -8.293 400 HB2 GLU 67 HB2 GLU 67 -7.358 4.259 -10.093 401 HB3 GLU 67 HB3 GLU 67 -8.035 2.728 -10.618 402 HG2 GLU 67 HG2 GLU 67 -9.961 3.825 -11.555 403 HG3 GLU 67 HG3 GLU 67 -9.462 5.362 -10.858 404 H CYS 68 H CYS 68 -8.443 4.025 -6.436 405 HA CYS 68 HA CYS 68 -9.549 6.599 -6.243 406 HB2 CYS 68 HB2 CYS 68 -9.135 5.349 -4.223 407 HB3 CYS 68 HB3 CYS 68 -7.422 5.230 -4.553 408 H THR 69 H THR 69 -6.118 6.027 -5.766 409 HA THR 69 HA THR 69 -5.335 7.844 -7.889 410 HB THR 69 HB THR 69 -3.762 8.873 -6.024 411 HG1 THR 69 HG3 THR 69 -6.036 8.055 -4.626 412 HG21 THR 69 HG21 THR 69 -6.685 9.632 -6.221 413 HG22 THR 69 HG22 THR 69 -5.405 10.197 -7.297 414 HG23 THR 69 HG23 THR 69 -5.396 10.656 -5.592 415 H VAL 70 H VAL 70 -3.345 7.184 -8.728 416 HA VAL 70 HA VAL 70 -1.739 5.251 -7.207 417 HB VAL 70 HB VAL 70 -3.440 3.924 -8.497 418 HG11 VAL 70 HG11 VAL 70 -2.018 4.996 -10.918 419 HG12 VAL 70 HG12 VAL 70 -3.670 5.366 -10.426 420 HG13 VAL 70 HG13 VAL 70 -3.241 3.721 -10.908 421 HG21 VAL 70 HG21 VAL 70 -1.307 2.933 -7.864 422 HG22 VAL 70 HG22 VAL 70 -0.580 3.526 -9.364 423 HG23 VAL 70 HG23 VAL 70 -1.860 2.322 -9.419 424 H ALA 71 H ALA 71 0.410 5.130 -7.779 425 HA ALA 71 HA ALA 71 1.276 6.670 -10.095 426 HB1 ALA 71 HB1 ALA 71 2.434 7.076 -7.338 427 HB2 ALA 71 HB2 ALA 71 1.337 8.200 -8.141 428 HB3 ALA 71 HB3 ALA 71 2.928 7.884 -8.826 429 H TRP 72 H TRP 72 3.034 5.861 -11.081 430 HA TRP 72 HA TRP 72 4.028 3.358 -9.990 431 HB2 TRP 72 HB2 TRP 72 4.689 4.579 -12.622 432 HB3 TRP 72 HB3 TRP 72 4.834 2.921 -12.149 433 HD1 TRP 72 HD TRP 72 2.846 4.709 -14.443 434 HE1 TRP 72 HE1 TRP 72 0.510 3.760 -14.800 435 HE3 TRP 72 HE3 TRP 72 2.566 1.832 -10.294 436 HZ2 TRP 72 HZ2 TRP 72 -1.278 1.986 -13.456 437 HZ3 TRP 72 HZ3 TRP 72 0.459 0.515 -9.892 438 HH2 TRP 72 HH TRP 72 -1.381 0.615 -11.439 439 H GLY 73 H GLY 73 6.206 3.080 -9.577 440 HA2 GLY 73 HA2 GLY 73 7.794 5.519 -9.366 441 HA3 GLY 73 HA3 GLY 73 7.996 4.010 -8.465 442 H VAL 74 H VAL 74 9.715 5.703 -10.385 443 HA VAL 74 HA VAL 74 10.269 4.117 -12.669 444 HB VAL 74 HB VAL 74 12.184 5.946 -11.165 445 HG11 VAL 74 HG11 VAL 74 12.262 5.007 -14.026 446 HG12 VAL 74 HG12 VAL 74 13.341 4.490 -12.734 447 HG13 VAL 74 HG13 VAL 74 13.372 6.164 -13.294 448 HG21 VAL 74 HG21 VAL 74 11.538 7.687 -12.765 449 HG22 VAL 74 HG22 VAL 74 10.159 7.136 -11.799 450 HG23 VAL 74 HG23 VAL 74 10.346 6.586 -13.460 451 H CYS 75 H CYS 75 11.039 3.944 -9.388 452 HA CYS 75 HA CYS 75 13.284 2.162 -9.534 453 HB2 CYS 75 HB2 CYS 75 12.882 3.913 -7.766 454 HB3 CYS 75 HB3 CYS 75 11.569 2.919 -7.165 455 H ASN 76 H ASN 76 10.675 1.385 -10.771 456 HA ASN 76 HA ASN 76 9.569 -0.504 -11.239 457 HB2 ASN 76 HB2 ASN 76 11.859 -1.433 -11.226 458 HB3 ASN 76 HB3 ASN 76 11.664 -1.852 -9.521 459 HD21 ASN 76 HD21 ASN 76 12.043 -4.023 -9.993 460 HD22 ASN 76 HD22 ASN 76 10.879 -5.036 -10.749 461 H HIS 77 H HIS 77 8.599 1.025 -9.296 462 HA HIS 77 HA HIS 77 7.377 -0.982 -7.615 463 HB2 HIS 77 HB2 HIS 77 8.756 1.461 -6.716 464 HB3 HIS 77 HB3 HIS 77 7.281 1.007 -5.850 465 HD2 HIS 77 HD2 HIS 77 7.623 -2.105 -5.486 466 HE1 HIS 77 HE1 HIS 77 11.438 -1.312 -3.897 467 HE2 HIS 77 HE2 HIS 77 9.744 -3.045 -4.374 468 H ALA 78 H ALA 78 5.255 -0.363 -6.719 469 HA ALA 78 HA ALA 78 3.963 1.764 -8.189 470 HB1 ALA 78 HB1 ALA 78 2.157 0.290 -8.835 471 HB2 ALA 78 HB2 ALA 78 2.952 -1.072 -8.069 472 HB3 ALA 78 HB3 ALA 78 3.673 -0.324 -9.500 473 H PHE 79 H PHE 79 2.723 2.878 -6.827 474 HA PHE 79 HA PHE 79 1.543 1.561 -4.505 475 HB2 PHE 79 HB2 PHE 79 3.185 4.084 -4.389 476 HB3 PHE 79 HB3 PHE 79 2.235 3.463 -3.047 477 HD1 PHE 79 HD2 PHE 79 2.919 1.178 -2.088 478 HD2 PHE 79 HD3 PHE 79 5.350 3.381 -4.805 479 HE1 PHE 79 HE2 PHE 79 4.898 -0.169 -1.430 480 HE2 PHE 79 HE1 PHE 79 7.292 2.048 -4.152 481 HZ PHE 79 HZ PHE 79 7.072 0.281 -2.475 482 H HIS 80 H HIS 80 -0.057 3.134 -3.429 483 HA HIS 80 HA HIS 80 -1.658 4.406 -5.412 484 HB2 HIS 80 HB2 HIS 80 -1.682 4.255 -2.427 485 HB3 HIS 80 HB3 HIS 80 -2.621 5.480 -3.230 486 HD2 HIS 80 HD2 HIS 80 -3.883 3.502 -5.605 487 HE1 HIS 80 HE1 HIS 80 -5.610 1.544 -2.304 488 HE2 HIS 80 HE2 HIS 80 -5.964 2.409 -4.507 489 H PHE 81 H PHE 81 -1.616 6.534 -5.973 490 HA PHE 81 HA PHE 81 0.647 8.076 -5.357 491 HB2 PHE 81 HB2 PHE 81 -0.579 8.518 -7.394 492 HB3 PHE 81 HB3 PHE 81 -2.019 8.950 -6.516 493 HD1 PHE 81 HD3 PHE 81 1.519 9.948 -7.049 494 HD2 PHE 81 HD2 PHE 81 -2.391 11.191 -5.907 495 HE1 PHE 81 HE1 PHE 81 2.272 12.287 -7.045 496 HE2 PHE 81 HE2 PHE 81 -1.642 13.538 -5.901 497 HZ PHE 81 HZ PHE 81 0.696 14.084 -6.471 498 H HIS 82 H HIS 82 -2.537 7.979 -4.003 499 HA HIS 82 HA HIS 82 -2.425 10.190 -2.267 500 HB2 HIS 82 HB2 HIS 82 -4.382 8.679 -2.849 501 HB3 HIS 82 HB3 HIS 82 -3.719 7.522 -1.721 502 HD2 HIS 82 HD2 HIS 82 -3.153 10.171 0.523 503 HE1 HIS 82 HE1 HIS 82 -7.393 10.025 0.527 504 HE2 HIS 82 HE2 HIS 82 -5.394 11.187 1.384 505 H CYS 83 H CYS 83 -1.526 6.746 -1.744 506 HA CYS 83 HA CYS 83 -0.757 7.145 0.946 507 HB2 CYS 83 HB2 CYS 83 -0.149 4.787 -0.868 508 HB3 CYS 83 HB3 CYS 83 -0.146 4.873 0.879 509 H ILE 84 H ILE 84 1.018 6.784 -2.137 510 HA ILE 84 HA ILE 84 3.529 6.866 -0.880 511 HB ILE 84 HB ILE 84 3.182 6.040 -3.263 512 HG12 ILE 84 HG12 ILE 84 5.261 7.057 -4.162 513 HG13 ILE 84 HG11 ILE 84 5.279 8.144 -2.788 514 HG21 ILE 84 HG21 ILE 84 1.785 7.938 -3.898 515 HG22 ILE 84 HG22 ILE 84 3.052 7.511 -5.057 516 HG23 ILE 84 HG23 ILE 84 3.243 8.943 -4.007 517 HD11 ILE 84 HD11 ILE 84 5.478 5.137 -2.638 518 HD12 ILE 84 HD31 ILE 84 6.797 6.287 -2.416 519 HD13 ILE 84 HD21 ILE 84 5.466 6.239 -1.263 520 H SER 85 H SER 85 1.373 9.375 -1.897 521 HA SER 85 HA SER 85 3.058 11.644 -1.709 522 HB2 SER 85 HB2 SER 85 0.232 11.356 -0.806 523 HB3 SER 85 HB3 SER 85 1.042 12.887 -1.061 524 HG SER 85 HG SER 85 0.549 10.938 -3.098 525 H ARG 86 H ARG 86 1.064 9.924 0.741 526 HA ARG 86 HA ARG 86 1.677 11.470 2.912 527 HB2 ARG 86 HB2 ARG 86 -0.164 9.803 2.674 528 HB3 ARG 86 HB3 ARG 86 1.047 8.525 2.707 529 HG2 ARG 86 HG2 ARG 86 1.873 9.329 4.563 530 HG3 ARG 86 HG3 ARG 86 0.603 10.582 4.703 531 HD2 ARG 86 HD2 ARG 86 -0.183 8.723 6.209 532 HD3 ARG 86 HD3 ARG 86 -1.095 8.637 4.705 533 HE ARG 86 HE ARG 86 1.189 7.062 4.465 534 HH11 ARG 86 HH11 ARG 86 -1.809 7.087 6.327 535 HH12 ARG 86 HH12 ARG 86 -1.949 5.397 6.479 536 HH21 ARG 86 HH21 ARG 86 1.038 4.695 4.685 537 HH22 ARG 86 HH22 ARG 86 -0.271 3.997 5.493 538 H TRP 87 H TRP 87 3.145 8.569 1.480 539 HA TRP 87 HA TRP 87 4.999 8.004 3.507 540 HB2 TRP 87 HB2 TRP 87 4.388 6.360 1.841 541 HB3 TRP 87 HB3 TRP 87 4.989 7.401 0.553 542 HD1 TRP 87 HD TRP 87 7.432 7.049 -0.171 543 HE1 TRP 87 HE1 TRP 87 9.412 5.781 0.823 544 HE3 TRP 87 HE3 TRP 87 5.369 5.650 4.268 545 HZ2 TRP 87 HZ2 TRP 87 10.052 4.364 3.184 546 HZ3 TRP 87 HZ3 TRP 87 6.737 4.329 5.864 547 HH2 TRP 87 HH TRP 87 9.028 3.705 5.324 548 H LEU 88 H LEU 88 5.291 9.769 0.505 549 HA LEU 88 HA LEU 88 8.037 10.382 0.789 550 HB2 LEU 88 HB2 LEU 88 5.876 11.518 -0.936 551 HB3 LEU 88 HB3 LEU 88 7.557 11.984 -1.085 552 HG LEU 88 HG LEU 88 6.586 9.157 -1.343 553 HD11 LEU 88 HD11 LEU 88 7.212 11.161 -3.496 554 HD12 LEU 88 HD12 LEU 88 5.622 10.493 -3.035 555 HD13 LEU 88 HD13 LEU 88 6.864 9.427 -3.686 556 HD21 LEU 88 HD21 LEU 88 8.915 9.292 -0.698 557 HD22 LEU 88 HD22 LEU 88 9.244 10.470 -1.966 558 HD23 LEU 88 HD23 LEU 88 8.827 8.826 -2.391 559 H LYS 89 H LYS 89 5.164 11.895 1.807 560 HA LYS 89 HA LYS 89 6.096 14.447 2.451 561 HB2 LYS 89 HB2 LYS 89 3.723 13.660 2.399 562 HB3 LYS 89 HB3 LYS 89 4.037 12.737 3.849 563 HG2 LYS 89 HG2 LYS 89 4.427 14.817 5.079 564 HG3 LYS 89 HG3 LYS 89 4.134 15.733 3.594 565 HD2 LYS 89 HD2 LYS 89 1.875 14.793 3.451 566 HD3 LYS 89 HD3 LYS 89 2.158 13.877 4.928 567 HE2 LYS 89 HE2 LYS 89 0.874 15.843 5.429 568 HE3 LYS 89 HE1 LYS 89 2.487 15.980 6.130 569 HZ1 LYS 89 HZ1 LYS 89 1.693 17.182 3.540 570 HZ2 LYS 89 HZ2 LYS 89 3.133 17.512 4.380 571 HZ3 LYS 89 HZ3 LYS 89 1.644 18.036 4.983 572 H THR 90 H THR 90 6.197 11.322 4.084 573 HA THR 90 HA THR 90 7.656 12.474 6.324 574 HB THR 90 HB THR 90 7.370 10.166 7.329 575 HG1 THR 90 HG3 THR 90 6.737 9.493 4.862 576 HG21 THR 90 HG21 THR 90 4.911 11.611 6.392 577 HG22 THR 90 HG22 THR 90 5.827 12.011 7.854 578 HG23 THR 90 HG23 THR 90 4.949 10.472 7.734 579 H ARG 91 H ARG 91 8.325 10.615 3.424 580 HA ARG 91 HA ARG 91 11.037 9.987 4.339 581 HB2 ARG 91 HB2 ARG 91 9.158 8.037 3.001 582 HB3 ARG 91 HB3 ARG 91 10.858 7.777 3.305 583 HG2 ARG 91 HG2 ARG 91 8.818 8.268 5.450 584 HG3 ARG 91 HG3 ARG 91 9.365 6.683 4.929 585 HD2 ARG 91 HD2 ARG 91 11.619 7.146 5.573 586 HD3 ARG 91 HD3 ARG 91 11.233 8.824 5.945 587 HE ARG 91 HE ARG 91 9.777 7.929 7.730 588 HH11 ARG 91 HH11 ARG 91 12.528 5.965 6.575 589 HH12 ARG 91 HH12 ARG 91 12.679 5.130 8.055 590 HH21 ARG 91 HH21 ARG 91 10.053 6.752 9.724 591 HH22 ARG 91 HH22 ARG 91 11.232 5.546 9.869 592 H GLN 92 H GLN 92 12.554 9.678 2.682 593 HA GLN 92 HA GLN 92 11.799 11.007 0.176 594 HB2 GLN 92 HB2 GLN 92 14.444 10.589 1.503 595 HB3 GLN 92 HB3 GLN 92 14.259 11.288 -0.098 596 HG2 GLN 92 HG2 GLN 92 12.911 13.117 0.893 597 HG3 GLN 92 HG3 GLN 92 13.123 12.383 2.479 598 HE21 GLN 92 HE21 GLN 92 13.847 14.999 1.555 599 HE22 GLN 92 HE22 GLN 92 15.543 15.201 1.804 600 H VAL 93 H VAL 93 12.145 7.936 1.206 601 HA VAL 93 HA VAL 93 13.339 6.986 -1.334 602 HB VAL 93 HB VAL 93 14.340 5.089 0.003 603 HG11 VAL 93 HG11 VAL 93 15.260 7.875 0.733 604 HG12 VAL 93 HG12 VAL 93 15.691 6.979 -0.738 605 HG13 VAL 93 HG13 VAL 93 16.219 6.388 0.838 606 HG21 VAL 93 HG21 VAL 93 12.894 5.312 1.966 607 HG22 VAL 93 HG22 VAL 93 13.607 6.898 2.274 608 HG23 VAL 93 HG23 VAL 93 14.605 5.443 2.425 609 H CYS 94 H CYS 94 12.731 4.830 -1.981 610 HA CYS 94 HA CYS 94 10.069 4.098 -1.799 611 HB2 CYS 94 HB2 CYS 94 12.498 2.383 -2.290 612 HB3 CYS 94 HB3 CYS 94 10.876 1.744 -2.360 613 HA PRO 95 HA PRO 95 9.867 2.416 2.366 614 HB2 PRO 95 HB2 PRO 95 7.544 1.000 2.044 615 HB3 PRO 95 HB3 PRO 95 7.584 2.749 2.314 616 HG2 PRO 95 HG2 PRO 95 7.277 1.228 -0.245 617 HG3 PRO 95 HG3 PRO 95 6.429 2.685 0.307 618 HD2 PRO 95 HD2 PRO 95 8.466 2.771 -1.456 619 HD3 PRO 95 HD3 PRO 95 8.210 4.085 -0.305 620 H LEU 96 H LEU 96 9.849 0.599 -0.523 621 HA LEU 96 HA LEU 96 10.286 -1.950 0.927 622 HB2 LEU 96 HB2 LEU 96 9.764 -1.619 -2.021 623 HB3 LEU 96 HB3 LEU 96 9.661 -3.083 -1.084 624 HG LEU 96 HG LEU 96 7.846 -0.737 -0.959 625 HD11 LEU 96 HD11 LEU 96 7.422 -3.533 -2.005 626 HD12 LEU 96 HD12 LEU 96 7.481 -2.039 -2.940 627 HD13 LEU 96 HD13 LEU 96 6.145 -2.330 -1.827 628 HD21 LEU 96 HD21 LEU 96 8.023 -1.683 1.258 629 HD22 LEU 96 HD22 LEU 96 7.757 -3.304 0.629 630 HD23 LEU 96 HD23 LEU 96 6.449 -2.115 0.589 631 H ASP 97 H ASP 97 11.684 0.320 -1.281 632 HA ASP 97 HA ASP 97 13.831 -1.531 -2.065 633 HB2 ASP 97 HB2 ASP 97 12.377 0.391 -3.420 634 HB3 ASP 97 HB3 ASP 97 13.930 1.146 -3.179 635 H ASN 98 H ASN 98 13.177 1.359 -0.205 636 HA ASN 98 HA ASN 98 14.386 2.862 0.903 637 HB2 ASN 98 HB2 ASN 98 16.271 0.536 1.072 638 HB3 ASN 98 HB3 ASN 98 16.588 2.048 1.913 639 HD21 ASN 98 HD21 ASN 98 14.869 -0.911 1.942 640 HD22 ASN 98 HD22 ASN 98 14.015 -0.653 3.426 641 H ARG 99 H ARG 99 14.564 2.859 -1.905 642 HA ARG 99 HA ARG 99 17.239 4.052 -2.371 643 HB2 ARG 99 HB2 ARG 99 15.161 3.298 -4.423 644 HB3 ARG 99 HB3 ARG 99 16.854 3.658 -4.724 645 HG2 ARG 99 HG2 ARG 99 15.837 1.287 -3.235 646 HG3 ARG 99 HG3 ARG 99 16.185 1.290 -4.966 647 HD2 ARG 99 HD2 ARG 99 18.536 1.612 -4.462 648 HD3 ARG 99 HD3 ARG 99 18.169 1.798 -2.737 649 HE ARG 99 HE ARG 99 17.051 -0.582 -3.583 650 HH11 ARG 99 HH11 ARG 99 20.382 0.654 -3.282 651 HH12 ARG 99 HH12 ARG 99 21.009 -0.860 -2.823 652 HH21 ARG 99 HH21 ARG 99 17.986 -2.646 -2.944 653 HH22 ARG 99 HH22 ARG 99 19.630 -2.773 -2.642 654 H GLU 100 H GLU 100 17.093 6.110 -3.452 655 HA GLU 100 HA GLU 100 15.077 7.859 -2.490 656 HB2 GLU 100 HB2 GLU 100 17.478 8.312 -3.530 657 HB3 GLU 100 HB3 GLU 100 16.572 8.483 -5.018 658 HG2 GLU 100 HG2 GLU 100 16.011 10.104 -2.544 659 HG3 GLU 100 HG3 GLU 100 17.137 10.601 -3.796 660 H TRP 101 H TRP 101 12.962 8.119 -3.115 661 HA TRP 101 HA TRP 101 12.007 6.396 -5.162 662 HB2 TRP 101 HB2 TRP 101 10.562 6.522 -3.305 663 HB3 TRP 101 HB3 TRP 101 10.671 8.246 -3.173 664 HD1 TRP 101 HD TRP 101 9.113 9.702 -4.766 665 HE1 TRP 101 HE1 TRP 101 6.993 9.134 -6.079 666 HE3 TRP 101 HE3 TRP 101 9.466 4.661 -4.626 667 HZ2 TRP 101 HZ2 TRP 101 5.625 6.833 -6.951 668 HZ3 TRP 101 HZ3 TRP 101 7.688 3.313 -5.731 669 HH2 TRP 101 HH TRP 101 5.810 4.413 -6.866 670 H GLU 102 H GLU 102 11.599 6.866 -7.223 671 HA GLU 102 HA GLU 102 11.243 9.691 -7.986 672 HB2 GLU 102 HB2 GLU 102 12.465 7.431 -9.568 673 HB3 GLU 102 HB3 GLU 102 12.080 9.011 -10.233 674 HG2 GLU 102 HG2 GLU 102 13.647 10.038 -8.672 675 HG3 GLU 102 HG3 GLU 102 14.036 8.452 -8.012 676 H PHE 103 H PHE 103 9.345 10.180 -8.930 677 HA PHE 103 HA PHE 103 7.381 8.134 -9.383 678 HB2 PHE 103 HB2 PHE 103 7.407 11.091 -9.970 679 HB3 PHE 103 HB3 PHE 103 6.093 10.066 -10.489 680 HD1 PHE 103 HD2 PHE 103 4.848 8.799 -8.741 681 HD2 PHE 103 HD3 PHE 103 7.466 11.986 -7.860 682 HE1 PHE 103 HE2 PHE 103 3.706 9.100 -6.568 683 HE2 PHE 103 HE1 PHE 103 6.353 12.320 -5.673 684 HZ PHE 103 HZ PHE 103 4.462 10.870 -5.034 685 H GLN 104 H GLN 104 6.871 7.119 -11.186 686 HA GLN 104 HA GLN 104 8.478 7.584 -13.570 687 HB2 GLN 104 HB2 GLN 104 8.229 5.306 -12.613 688 HB3 GLN 104 HB3 GLN 104 6.507 5.406 -12.886 689 HG2 GLN 104 HG2 GLN 104 6.848 5.478 -15.266 690 HG3 GLN 104 HG3 GLN 104 8.605 5.485 -15.040 691 HE21 GLN 104 HE21 GLN 104 5.710 3.571 -15.076 692 HE22 GLN 104 HE22 GLN 104 6.499 2.047 -14.879 693 H LYS 105 H LYS 105 5.057 7.113 -12.713 694 HA LYS 105 HA LYS 105 4.210 9.170 -14.477 695 HB2 LYS 105 HB2 LYS 105 4.409 7.551 -16.187 696 HB3 LYS 105 HB3 LYS 105 3.748 6.279 -15.192 697 HG2 LYS 105 HG2 LYS 105 2.176 6.930 -16.902 698 HG3 LYS 105 HG3 LYS 105 1.537 7.339 -15.316 699 HD2 LYS 105 HD2 LYS 105 2.258 9.686 -15.680 700 HD3 LYS 105 HD3 LYS 105 2.822 9.238 -17.293 701 HE2 LYS 105 HE2 LYS 105 0.568 8.583 -17.932 702 HE3 LYS 105 HE1 LYS 105 -0.011 8.921 -16.308 703 HZ1 LYS 105 HZ1 LYS 105 1.161 10.982 -18.107 704 HZ2 LYS 105 HZ2 LYS 105 0.363 11.274 -16.649 705 HZ3 LYS 105 HZ3 LYS 105 -0.478 10.649 -17.964 706 H TYR 106 H TYR 106 2.493 10.114 -13.677 707 HA TYR 106 HA TYR 106 0.354 8.565 -12.545 708 HB2 TYR 106 HB2 TYR 106 0.161 9.938 -10.489 709 HB3 TYR 106 HB3 TYR 106 1.656 9.026 -10.515 710 HD1 TYR 106 HD3 TYR 106 3.793 10.179 -10.779 711 HD2 TYR 106 HD2 TYR 106 0.151 12.352 -10.589 712 HE1 TYR 106 HE1 TYR 106 5.053 12.243 -10.342 713 HE2 TYR 106 HE2 TYR 106 1.403 14.425 -10.155 714 HH TYR 106 HH TYR 106 4.817 14.580 -10.519 715 H GLY 107 H GLY 107 -1.633 9.880 -12.353 716 HA2 GLY 107 HA2 GLY 107 -2.651 12.050 -12.708 717 HA3 GLY 107 HA3 GLY 107 -1.471 12.333 -13.979 718 H HIS 108 H HIS 108 -2.219 12.128 -15.968 719 HA HIS 108 HA HIS 108 -4.726 10.698 -16.301 720 HB2 HIS 108 HB2 HIS 108 -4.651 11.891 -18.639 721 HB3 HIS 108 HB3 HIS 108 -5.086 12.808 -17.204 722 HD2 HIS 108 HD2 HIS 108 -3.894 15.219 -17.370 723 HE1 HIS 108 HE1 HIS 108 -0.222 13.938 -19.046 724 HE2 HIS 108 HE2 HIS 108 -1.529 15.915 -18.160 Start of MODEL 7 1 H1 GLY 9 H GLY 9 10.274 -7.004 -3.544 2 HA2 GLY 9 HA2 GLY 9 12.406 -5.241 -4.428 3 HA3 GLY 9 HA3 GLY 9 11.988 -6.808 -5.120 4 H GLY 10 H GLY 10 9.241 -6.375 -5.446 5 HA2 GLY 10 HA2 GLY 10 7.810 -4.930 -6.735 6 HA3 GLY 10 HA3 GLY 10 9.253 -4.250 -7.487 7 H GLY 11 H GLY 11 9.350 -4.809 -9.561 8 HA2 GLY 11 HA2 GLY 11 9.712 -6.271 -11.294 9 HA3 GLY 11 HA3 GLY 11 9.359 -7.611 -10.208 10 H GLY 12 H GLY 12 7.131 -5.011 -10.345 11 HA2 GLY 12 HA2 GLY 12 5.489 -6.222 -12.366 12 HA3 GLY 12 HA3 GLY 12 4.872 -6.434 -10.726 13 H THR 13 H THR 13 5.108 -4.342 -13.397 14 HA THR 13 HA THR 13 3.542 -2.383 -11.866 15 HB THR 13 HB THR 13 5.439 -1.733 -14.159 16 HG1 THR 13 HG3 THR 13 5.880 -2.110 -11.549 17 HG21 THR 13 HG21 THR 13 4.999 0.608 -13.466 18 HG22 THR 13 HG22 THR 13 3.812 0.026 -12.300 19 HG23 THR 13 HG23 THR 13 3.543 -0.207 -14.025 20 H ASN 14 H ASN 14 1.566 -2.013 -12.717 21 HA ASN 14 HA ASN 14 1.009 -3.298 -15.287 22 HB2 ASN 14 HB2 ASN 14 -1.239 -3.626 -14.557 23 HB3 ASN 14 HB3 ASN 14 -0.213 -4.121 -13.222 24 HD21 ASN 14 HD21 ASN 14 -2.721 -2.119 -14.258 25 HD22 ASN 14 HD22 ASN 14 -2.949 -1.222 -12.792 26 H SER 15 H SER 15 -0.195 -2.236 -16.857 27 HA SER 15 HA SER 15 -0.163 0.685 -16.628 28 HB2 SER 15 HB2 SER 15 -0.443 -1.091 -19.062 29 HB3 SER 15 HB3 SER 15 -0.245 0.657 -19.067 30 HG SER 15 HG SER 15 1.619 -1.306 -18.212 31 H GLY 16 H GLY 16 -2.145 -0.353 -15.193 32 HA2 GLY 16 HA2 GLY 16 -4.495 -0.727 -16.866 33 HA3 GLY 16 HA3 GLY 16 -4.427 -0.936 -15.126 34 H ALA 17 H ALA 17 -2.942 1.902 -15.511 35 HA ALA 17 HA ALA 17 -5.426 3.338 -15.047 36 HB1 ALA 17 HB1 ALA 17 -3.716 3.611 -13.337 37 HB2 ALA 17 HB2 ALA 17 -3.979 5.139 -14.184 38 HB3 ALA 17 HB3 ALA 17 -2.558 4.165 -14.557 39 H GLY 18 H GLY 18 -6.340 4.253 -16.726 40 HA2 GLY 18 HA2 GLY 18 -4.597 5.464 -18.779 41 HA3 GLY 18 HA3 GLY 18 -6.192 4.801 -19.114 42 H LYS 19 H LYS 19 -5.436 6.616 -16.290 43 HA LYS 19 HA LYS 19 -7.570 8.475 -16.890 44 HB2 LYS 19 HB2 LYS 19 -5.733 8.266 -14.503 45 HB3 LYS 19 HB3 LYS 19 -7.099 9.353 -14.618 46 HG2 LYS 19 HG2 LYS 19 -7.229 6.341 -14.650 47 HG3 LYS 19 HG3 LYS 19 -7.599 7.383 -13.276 48 HD2 LYS 19 HD2 LYS 19 -9.412 8.428 -14.596 49 HD3 LYS 19 HD3 LYS 19 -9.059 7.300 -15.911 50 HE2 LYS 19 HE2 LYS 19 -9.865 6.501 -13.128 51 HE3 LYS 19 HE1 LYS 19 -10.954 6.565 -14.523 52 HZ1 LYS 19 HZ1 LYS 19 -10.208 4.316 -14.159 53 HZ2 LYS 19 HZ2 LYS 19 -8.596 4.757 -14.172 54 HZ3 LYS 19 HZ3 LYS 19 -9.546 4.888 -15.590 55 H LYS 20 H LYS 20 -7.004 9.971 -18.342 56 HA LYS 20 HA LYS 20 -4.473 11.275 -18.332 57 HB2 LYS 20 HB2 LYS 20 -5.985 11.247 -20.332 58 HB3 LYS 20 HB3 LYS 20 -7.079 12.332 -19.488 59 HG2 LYS 20 HG2 LYS 20 -5.382 14.065 -19.435 60 HG3 LYS 20 HG3 LYS 20 -4.211 12.969 -20.165 61 HD2 LYS 20 HD2 LYS 20 -4.989 14.341 -21.925 62 HD3 LYS 20 HD3 LYS 20 -5.846 12.799 -22.128 63 HE2 LYS 20 HE2 LYS 20 -7.414 14.585 -22.444 64 HE3 LYS 20 HE1 LYS 20 -7.767 13.814 -20.900 65 HZ1 LYS 20 HZ1 LYS 20 -7.851 16.206 -20.712 66 HZ2 LYS 20 HZ2 LYS 20 -6.295 16.362 -21.309 67 HZ3 LYS 20 HZ3 LYS 20 -6.528 15.683 -19.799 68 H ARG 21 H ARG 21 -7.604 11.891 -16.933 69 HA ARG 21 HA ARG 21 -6.880 14.279 -15.550 70 HB2 ARG 21 HB2 ARG 21 -9.241 13.851 -15.913 71 HB3 ARG 21 HB3 ARG 21 -9.119 12.298 -15.105 72 HG2 ARG 21 HG2 ARG 21 -8.649 13.419 -12.979 73 HG3 ARG 21 HG3 ARG 21 -8.726 14.979 -13.773 74 HD2 ARG 21 HD2 ARG 21 -11.023 13.032 -13.723 75 HD3 ARG 21 HD3 ARG 21 -10.791 14.308 -12.531 76 HE ARG 21 HE ARG 21 -10.783 15.810 -14.581 77 HH11 ARG 21 HH11 ARG 21 -12.730 12.847 -14.396 78 HH12 ARG 21 HH12 ARG 21 -14.058 13.490 -15.240 79 HH21 ARG 21 HH21 ARG 21 -12.587 16.683 -15.780 80 HH22 ARG 21 HH22 ARG 21 -13.961 15.725 -16.086 81 H PHE 22 H PHE 22 -5.730 14.489 -13.803 82 HA PHE 22 HA PHE 22 -5.605 12.381 -11.800 83 HB2 PHE 22 HB2 PHE 22 -3.740 11.949 -13.442 84 HB3 PHE 22 HB3 PHE 22 -3.135 13.555 -13.092 85 HD1 PHE 22 HD2 PHE 22 -3.931 10.307 -11.475 86 HD2 PHE 22 HD3 PHE 22 -1.585 13.852 -11.395 87 HE1 PHE 22 HE2 PHE 22 -2.573 9.365 -9.649 88 HE2 PHE 22 HE1 PHE 22 -0.226 12.910 -9.571 89 HZ PHE 22 HZ PHE 22 -0.723 10.668 -8.704 90 H GLU 23 H GLU 23 -6.560 13.715 -10.291 91 HA GLU 23 HA GLU 23 -5.118 16.090 -9.423 92 HB2 GLU 23 HB2 GLU 23 -6.690 16.651 -11.385 93 HB3 GLU 23 HB3 GLU 23 -8.003 16.366 -10.270 94 HG2 GLU 23 HG2 GLU 23 -5.822 18.402 -9.841 95 HG3 GLU 23 HG3 GLU 23 -7.370 18.754 -10.605 96 H VAL 24 H VAL 24 -5.032 15.694 -7.286 97 HA VAL 24 HA VAL 24 -7.534 15.006 -5.931 98 HB VAL 24 HB VAL 24 -6.207 12.981 -5.930 99 HG11 VAL 24 HG11 VAL 24 -3.956 12.884 -4.888 100 HG12 VAL 24 HG12 VAL 24 -3.962 14.653 -4.822 101 HG13 VAL 24 HG13 VAL 24 -4.018 13.830 -6.374 102 HG21 VAL 24 HG21 VAL 24 -6.093 14.330 -3.239 103 HG22 VAL 24 HG22 VAL 24 -5.914 12.596 -3.510 104 HG23 VAL 24 HG23 VAL 24 -7.438 13.393 -3.893 105 H LYS 25 H LYS 25 -8.060 16.426 -4.398 106 HA LYS 25 HA LYS 25 -6.296 18.589 -3.876 107 HB2 LYS 25 HB2 LYS 25 -8.997 17.940 -2.755 108 HB3 LYS 25 HB3 LYS 25 -8.116 19.389 -2.304 109 HG2 LYS 25 HG2 LYS 25 -8.954 18.670 -5.114 110 HG3 LYS 25 HG3 LYS 25 -9.778 19.800 -4.041 111 HD2 LYS 25 HD2 LYS 25 -7.786 21.202 -3.955 112 HD3 LYS 25 HD3 LYS 25 -6.918 20.059 -4.964 113 HE2 LYS 25 HE2 LYS 25 -8.425 20.472 -6.791 114 HE3 LYS 25 HE1 LYS 25 -9.372 21.596 -5.795 115 HZ1 LYS 25 HZ1 LYS 25 -6.509 21.900 -6.539 116 HZ2 LYS 25 HZ2 LYS 25 -7.408 22.989 -5.617 117 HZ3 LYS 25 HZ3 LYS 25 -7.802 22.749 -7.244 118 H LYS 26 H LYS 26 -7.430 15.952 -1.842 119 HA LYS 26 HA LYS 26 -5.112 16.497 -0.126 120 HB2 LYS 26 HB2 LYS 26 -7.914 15.949 0.813 121 HB3 LYS 26 HB3 LYS 26 -6.515 15.828 1.846 122 HG2 LYS 26 HG2 LYS 26 -7.424 18.332 0.445 123 HG3 LYS 26 HG3 LYS 26 -7.796 17.924 2.121 124 HD2 LYS 26 HD2 LYS 26 -5.338 17.863 2.575 125 HD3 LYS 26 HD3 LYS 26 -5.059 18.405 0.924 126 HE2 LYS 26 HE2 LYS 26 -4.957 20.308 2.392 127 HE3 LYS 26 HE1 LYS 26 -6.404 20.433 1.403 128 HZ1 LYS 26 HZ1 LYS 26 -6.361 19.333 4.148 129 HZ2 LYS 26 HZ2 LYS 26 -7.754 19.682 3.262 130 HZ3 LYS 26 HZ3 LYS 26 -6.764 20.928 3.820 131 H SER 27 H SER 27 -3.908 14.777 0.187 132 HA SER 27 HA SER 27 -5.051 12.105 -0.048 133 HB2 SER 27 HB2 SER 27 -2.221 13.044 0.611 134 HB3 SER 27 HB3 SER 27 -2.719 11.382 0.348 135 HG SER 27 HG SER 27 -2.412 13.454 -1.525 136 H ASN 28 H ASN 28 -6.352 11.797 1.722 137 HA ASN 28 HA ASN 28 -6.208 13.254 4.064 138 HB2 ASN 28 HB2 ASN 28 -8.222 11.979 3.242 139 HB3 ASN 28 HB3 ASN 28 -7.495 10.515 3.877 140 HD21 ASN 28 HD21 ASN 28 -7.692 10.067 6.046 141 HD22 ASN 28 HD22 ASN 28 -8.500 11.120 7.150 142 H ALA 29 H ALA 29 -5.649 9.680 4.201 143 HA ALA 29 HA ALA 29 -3.093 10.114 5.378 144 HB1 ALA 29 HB1 ALA 29 -3.567 9.103 7.530 145 HB2 ALA 29 HB2 ALA 29 -5.257 8.905 7.092 146 HB3 ALA 29 HB3 ALA 29 -4.587 10.525 7.312 147 H SER 30 H SER 30 -2.067 8.030 5.992 148 HA SER 30 HA SER 30 -3.245 5.615 5.050 149 HB2 SER 30 HB2 SER 30 -0.672 6.694 3.810 150 HB3 SER 30 HB3 SER 30 -1.333 5.098 3.538 151 HG SER 30 HG SER 30 -2.295 6.018 1.931 152 H ALA 31 H ALA 31 -1.596 3.777 5.605 153 HA ALA 31 HA ALA 31 -0.969 4.140 8.338 154 HB1 ALA 31 HB1 ALA 31 -0.171 1.823 8.246 155 HB2 ALA 31 HB2 ALA 31 -0.346 1.847 6.488 156 HB3 ALA 31 HB3 ALA 31 -1.766 2.020 7.526 157 H GLN 32 H GLN 32 1.024 3.989 5.451 158 HA GLN 32 HA GLN 32 3.172 4.447 4.988 159 HB2 GLN 32 HB2 GLN 32 2.982 5.911 7.593 160 HB3 GLN 32 HB3 GLN 32 4.561 5.669 6.864 161 HG2 GLN 32 HG2 GLN 32 3.781 7.816 6.231 162 HG3 GLN 32 HG3 GLN 32 3.701 6.793 4.801 163 HE21 GLN 32 HE21 GLN 32 1.929 8.597 7.164 164 HE22 GLN 32 HE22 GLN 32 0.404 8.466 6.380 165 H SER 33 H SER 33 3.083 3.353 8.383 166 HA SER 33 HA SER 33 5.571 1.960 8.046 167 HB2 SER 33 HB2 SER 33 5.166 1.343 10.462 168 HB3 SER 33 HB3 SER 33 5.167 3.072 10.119 169 HG SER 33 HG SER 33 3.223 1.591 11.190 170 H ALA 34 H ALA 34 2.477 1.200 7.222 171 HA ALA 34 HA ALA 34 2.378 -1.546 7.998 172 HB1 ALA 34 HB1 ALA 34 0.916 -0.198 5.717 173 HB2 ALA 34 HB2 ALA 34 0.368 -0.239 7.388 174 HB3 ALA 34 HB3 ALA 34 0.491 -1.742 6.467 175 H TRP 35 H TRP 35 2.968 -3.361 6.894 176 HA TRP 35 HA TRP 35 4.629 -2.875 4.521 177 HB2 TRP 35 HB2 TRP 35 5.006 -4.964 6.670 178 HB3 TRP 35 HB3 TRP 35 5.899 -4.916 5.149 179 HD1 TRP 35 HD TRP 35 6.024 -3.677 8.642 180 HE1 TRP 35 HE1 TRP 35 7.948 -1.965 8.891 181 HE3 TRP 35 HE3 TRP 35 7.095 -2.860 3.706 182 HZ2 TRP 35 HZ2 TRP 35 9.680 -0.489 7.253 183 HZ3 TRP 35 HZ3 TRP 35 8.887 -1.287 3.128 184 HH2 TRP 35 HH TRP 35 10.159 -0.119 4.865 185 H ASP 36 H ASP 36 4.127 -3.887 2.730 186 HA ASP 36 HA ASP 36 3.096 -6.572 2.853 187 HB2 ASP 36 HB2 ASP 36 1.144 -4.912 2.347 188 HB3 ASP 36 HB3 ASP 36 1.964 -4.627 0.815 189 H ILE 37 H ILE 37 3.938 -7.771 1.075 190 HA ILE 37 HA ILE 37 6.408 -6.421 0.309 191 HB ILE 37 HB ILE 37 7.398 -8.628 -0.054 192 HG12 ILE 37 HG12 ILE 37 4.781 -9.746 0.962 193 HG13 ILE 37 HG11 ILE 37 5.242 -9.737 -0.738 194 HG21 ILE 37 HG21 ILE 37 5.967 -8.299 2.584 195 HG22 ILE 37 HG22 ILE 37 7.526 -7.606 2.168 196 HG23 ILE 37 HG23 ILE 37 7.342 -9.358 2.302 197 HD11 ILE 37 HD11 ILE 37 7.198 -11.096 -0.162 198 HD12 ILE 37 HD31 ILE 37 6.641 -11.177 1.514 199 HD13 ILE 37 HD21 ILE 37 5.666 -11.883 0.228 200 H VAL 38 H VAL 38 3.567 -7.025 -1.253 201 HA VAL 38 HA VAL 38 5.038 -7.303 -3.767 202 HB VAL 38 HB VAL 38 2.204 -8.287 -3.307 203 HG11 VAL 38 HG11 VAL 38 4.027 -8.561 -5.681 204 HG12 VAL 38 HG12 VAL 38 2.503 -7.664 -5.605 205 HG13 VAL 38 HG13 VAL 38 2.508 -9.417 -5.477 206 HG21 VAL 38 HG21 VAL 38 3.748 -9.666 -2.087 207 HG22 VAL 38 HG22 VAL 38 4.780 -9.853 -3.506 208 HG23 VAL 38 HG23 VAL 38 3.160 -10.554 -3.488 209 H VAL 39 H VAL 39 4.633 -5.823 -5.329 210 HA VAL 39 HA VAL 39 3.492 -3.374 -4.442 211 HB VAL 39 HB VAL 39 4.100 -2.495 -6.750 212 HG11 VAL 39 HG11 VAL 39 5.435 -2.072 -4.826 213 HG12 VAL 39 HG12 VAL 39 6.487 -2.464 -6.181 214 HG13 VAL 39 HG13 VAL 39 6.179 -3.668 -4.921 215 HG21 VAL 39 HG21 VAL 39 4.129 -4.660 -7.908 216 HG22 VAL 39 HG22 VAL 39 5.489 -5.171 -6.897 217 HG23 VAL 39 HG23 VAL 39 5.681 -3.835 -8.028 218 H ASP 40 H ASP 40 1.793 -5.883 -5.879 219 HA ASP 40 HA ASP 40 -0.002 -3.958 -7.079 220 HB2 ASP 40 HB2 ASP 40 -1.416 -5.713 -7.824 221 HB3 ASP 40 HB3 ASP 40 0.232 -6.202 -8.176 222 H ASN 41 H ASN 41 0.710 -4.859 -4.100 223 HA ASN 41 HA ASN 41 -1.884 -3.838 -3.181 224 HB2 ASN 41 HB2 ASN 41 0.270 -5.341 -1.659 225 HB3 ASN 41 HB3 ASN 41 -1.129 -4.590 -0.915 226 HD21 ASN 41 HD21 ASN 41 -0.219 -7.286 -0.904 227 HD22 ASN 41 HD22 ASN 41 -1.469 -8.312 -1.519 228 H CYS 42 H CYS 42 -1.804 -1.845 -2.306 229 HA CYS 42 HA CYS 42 0.676 -0.375 -2.346 230 HB2 CYS 42 HB2 CYS 42 -1.633 0.573 -2.825 231 HB3 CYS 42 HB3 CYS 42 -1.987 0.372 -1.138 232 H ALA 43 H ALA 43 2.077 -0.940 -0.728 233 HA ALA 43 HA ALA 43 1.228 -2.280 1.639 234 HB1 ALA 43 HB1 ALA 43 3.543 -2.100 2.334 235 HB2 ALA 43 HB2 ALA 43 3.882 -0.982 0.998 236 HB3 ALA 43 HB3 ALA 43 3.433 -2.649 0.661 237 H ILE 44 H ILE 44 1.553 0.932 0.719 238 HA ILE 44 HA ILE 44 2.372 2.046 3.178 239 HB ILE 44 HB ILE 44 1.020 3.392 0.845 240 HG12 ILE 44 HG12 ILE 44 3.943 2.845 1.420 241 HG13 ILE 44 HG11 ILE 44 2.954 2.123 0.211 242 HG21 ILE 44 HG21 ILE 44 2.163 5.406 1.708 243 HG22 ILE 44 HG22 ILE 44 2.826 4.434 3.035 244 HG23 ILE 44 HG23 ILE 44 1.090 4.735 2.945 245 HD11 ILE 44 HD11 ILE 44 4.341 3.795 -0.809 246 HD12 ILE 44 HD31 ILE 44 2.641 4.266 -0.921 247 HD13 ILE 44 HD21 ILE 44 3.712 5.019 0.276 248 H CYS 45 H CYS 45 -0.786 1.761 1.607 249 HA CYS 45 HA CYS 45 -2.088 2.552 4.123 250 HB2 CYS 45 HB2 CYS 45 -4.178 2.382 2.750 251 HB3 CYS 45 HB3 CYS 45 -3.018 3.572 2.114 252 H ARG 46 H ARG 46 -1.385 -0.051 2.040 253 HA ARG 46 HA ARG 46 -1.580 -2.145 1.980 254 HB2 ARG 46 HB2 ARG 46 -1.106 -2.184 4.394 255 HB3 ARG 46 HB3 ARG 46 -2.845 -2.241 4.724 256 HG2 ARG 46 HG2 ARG 46 -3.001 -4.325 3.437 257 HG3 ARG 46 HG3 ARG 46 -1.263 -4.261 3.146 258 HD2 ARG 46 HD2 ARG 46 -1.670 -5.785 4.923 259 HD3 ARG 46 HD3 ARG 46 -0.917 -4.336 5.582 260 HE ARG 46 HE ARG 46 -3.707 -4.066 5.756 261 HH11 ARG 46 HH11 ARG 46 -1.080 -5.968 7.189 262 HH12 ARG 46 HH12 ARG 46 -1.878 -6.217 8.669 263 HH21 ARG 46 HH21 ARG 46 -4.824 -4.399 7.812 264 HH22 ARG 46 HH22 ARG 46 -4.049 -5.277 9.026 265 H ASN 47 H ASN 47 -3.088 -1.050 0.490 266 HA ASN 47 HA ASN 47 -5.382 -2.891 0.532 267 HB2 ASN 47 HB2 ASN 47 -6.089 -0.461 1.025 268 HB3 ASN 47 HB3 ASN 47 -5.696 -0.114 -0.657 269 HD21 ASN 47 HD21 ASN 47 -7.010 -1.065 -2.323 270 HD22 ASN 47 HD22 ASN 47 -8.551 -1.722 -1.944 271 H HIS 48 H HIS 48 -6.301 -3.086 -1.723 272 HA HIS 48 HA HIS 48 -4.195 -4.065 -3.364 273 HB2 HIS 48 HB2 HIS 48 -6.457 -5.042 -3.209 274 HB3 HIS 48 HB3 HIS 48 -7.106 -3.666 -4.099 275 HD2 HIS 48 HD2 HIS 48 -4.073 -6.072 -4.977 276 HE1 HIS 48 HE1 HIS 48 -6.797 -5.968 -8.224 277 HE2 HIS 48 HE2 HIS 48 -4.908 -7.196 -7.157 278 H ILE 49 H ILE 49 -3.369 -3.344 -5.298 279 HA ILE 49 HA ILE 49 -2.960 -0.609 -5.574 280 HB ILE 49 HB ILE 49 -1.438 -2.416 -6.420 281 HG12 ILE 49 HG12 ILE 49 -0.768 -1.137 -8.530 282 HG13 ILE 49 HG11 ILE 49 -2.235 -0.196 -8.286 283 HG21 ILE 49 HG21 ILE 49 -3.417 -2.540 -8.687 284 HG22 ILE 49 HG22 ILE 49 -3.026 -3.837 -7.558 285 HG23 ILE 49 HG23 ILE 49 -1.812 -3.272 -8.713 286 HD11 ILE 49 HD11 ILE 49 -1.466 0.639 -6.209 287 HD12 ILE 49 HD31 ILE 49 -0.070 -0.435 -6.243 288 HD13 ILE 49 HD21 ILE 49 -0.198 0.890 -7.414 289 H MET 50 H MET 50 -3.675 0.913 -6.978 290 HA MET 50 HA MET 50 -4.938 2.053 -8.462 291 HB2 MET 50 HB2 MET 50 -3.758 0.402 -9.906 292 HB3 MET 50 HB3 MET 50 -5.149 -0.649 -9.804 293 HG2 MET 50 HG2 MET 50 -6.502 0.988 -10.986 294 HG3 MET 50 HG3 MET 50 -5.123 2.101 -11.041 295 HE1 MET 50 HE1 MET 50 -6.704 -1.219 -12.378 296 HE2 MET 50 HE2 MET 50 -5.286 -1.824 -11.528 297 HE3 MET 50 HE3 MET 50 -5.373 -1.931 -13.290 298 H ASP 51 H ASP 51 -6.256 1.113 -6.192 299 HA ASP 51 HA ASP 51 -9.042 1.060 -7.096 300 HB2 ASP 51 HB2 ASP 51 -8.230 -1.284 -6.428 301 HB3 ASP 51 HB3 ASP 51 -7.969 -0.645 -4.817 302 H LEU 52 H LEU 52 -10.222 1.224 -4.607 303 HA LEU 52 HA LEU 52 -9.563 3.804 -3.597 304 HB2 LEU 52 HB2 LEU 52 -11.322 1.577 -2.603 305 HB3 LEU 52 HB3 LEU 52 -11.185 3.130 -1.820 306 HG LEU 52 HG LEU 52 -12.079 2.868 -4.681 307 HD11 LEU 52 HD11 LEU 52 -13.693 2.829 -2.132 308 HD12 LEU 52 HD12 LEU 52 -13.692 1.642 -3.430 309 HD13 LEU 52 HD13 LEU 52 -14.368 3.250 -3.703 310 HD21 LEU 52 HD21 LEU 52 -11.290 5.074 -4.076 311 HD22 LEU 52 HD22 LEU 52 -12.227 5.009 -2.590 312 HD23 LEU 52 HD23 LEU 52 -13.065 5.107 -4.131 313 H CYS 53 H CYS 53 -8.509 4.354 -1.711 314 HA CYS 53 HA CYS 53 -6.706 2.419 -0.558 315 HB2 CYS 53 HB2 CYS 53 -7.338 5.197 0.466 316 HB3 CYS 53 HB3 CYS 53 -5.915 4.242 0.792 317 H ILE 54 H ILE 54 -6.667 2.863 2.014 318 HA ILE 54 HA ILE 54 -8.670 1.183 3.060 319 HB ILE 54 HB ILE 54 -7.664 1.811 5.270 320 HG12 ILE 54 HG12 ILE 54 -6.022 3.681 3.516 321 HG13 ILE 54 HG11 ILE 54 -7.192 4.068 4.734 322 HG21 ILE 54 HG21 ILE 54 -5.459 0.938 4.747 323 HG22 ILE 54 HG22 ILE 54 -5.845 1.109 3.021 324 HG23 ILE 54 HG23 ILE 54 -6.771 -0.029 4.046 325 HD11 ILE 54 HD11 ILE 54 -4.591 2.708 5.300 326 HD12 ILE 54 HD31 ILE 54 -5.020 4.419 5.535 327 HD13 ILE 54 HD21 ILE 54 -5.878 3.171 6.456 328 H GLU 55 H GLU 55 -8.148 4.619 3.478 329 HA GLU 55 HA GLU 55 -10.605 4.931 5.034 330 HB2 GLU 55 HB2 GLU 55 -8.879 7.085 3.866 331 HB3 GLU 55 HB3 GLU 55 -10.048 7.255 5.148 332 HG2 GLU 55 HG2 GLU 55 -8.500 5.571 6.493 333 HG3 GLU 55 HG3 GLU 55 -7.446 5.861 5.180 334 H CYS 56 H CYS 56 -9.375 5.368 1.937 335 HA CYS 56 HA CYS 56 -11.147 7.324 0.944 336 HB2 CYS 56 HB2 CYS 56 -9.668 5.179 -0.517 337 HB3 CYS 56 HB3 CYS 56 -10.471 6.537 -1.321 338 H GLN 57 H GLN 57 -11.431 3.808 0.834 339 HA GLN 57 HA GLN 57 -13.852 3.744 -0.577 340 HB2 GLN 57 HB2 GLN 57 -14.187 1.506 0.498 341 HB3 GLN 57 HB3 GLN 57 -12.659 1.703 -0.379 342 HG2 GLN 57 HG2 GLN 57 -11.541 2.080 1.764 343 HG3 GLN 57 HG3 GLN 57 -13.074 1.834 2.596 344 HE21 GLN 57 HE21 GLN 57 -10.566 0.381 2.792 345 HE22 GLN 57 HE22 GLN 57 -10.882 -1.274 2.430 346 H ALA 58 H ALA 58 -13.299 4.063 2.854 347 HA ALA 58 HA ALA 58 -16.102 4.147 3.551 348 HB1 ALA 58 HB1 ALA 58 -15.330 4.883 5.742 349 HB2 ALA 58 HB2 ALA 58 -13.732 5.211 5.088 350 HB3 ALA 58 HB3 ALA 58 -14.330 3.542 5.166 351 H ASN 59 H ASN 59 -13.610 6.437 2.851 352 HA ASN 59 HA ASN 59 -14.674 8.886 3.624 353 HB2 ASN 59 HB2 ASN 59 -12.325 8.247 3.032 354 HB3 ASN 59 HB3 ASN 59 -12.837 8.291 1.345 355 HD21 ASN 59 HD21 ASN 59 -11.992 10.095 4.144 356 HD22 ASN 59 HD22 ASN 59 -11.936 11.629 3.358 357 H GLN 60 H GLN 60 -14.909 7.067 0.613 358 HA GLN 60 HA GLN 60 -15.913 7.388 -1.358 359 HB2 GLN 60 HB2 GLN 60 -17.965 7.897 0.050 360 HB3 GLN 60 HB3 GLN 60 -17.504 9.587 0.002 361 HG2 GLN 60 HG2 GLN 60 -17.804 9.593 -2.442 362 HG3 GLN 60 HG3 GLN 60 -18.277 7.888 -2.361 363 HE21 GLN 60 HE21 GLN 60 -19.742 8.285 0.175 364 HE22 GLN 60 HE22 GLN 60 -21.191 9.083 -0.231 365 H ALA 61 H ALA 61 -13.723 8.057 -1.663 366 HA ALA 61 HA ALA 61 -12.825 10.708 -1.374 367 HB1 ALA 61 HB1 ALA 61 -10.813 9.993 -2.490 368 HB2 ALA 61 HB2 ALA 61 -11.634 8.567 -3.116 369 HB3 ALA 61 HB3 ALA 61 -11.347 8.720 -1.385 370 H SER 62 H SER 62 -12.716 12.359 -2.673 371 HA SER 62 HA SER 62 -14.335 12.357 -5.045 372 HB2 SER 62 HB2 SER 62 -12.647 14.586 -3.920 373 HB3 SER 62 HB3 SER 62 -14.034 14.740 -5.004 374 HG SER 62 HG SER 62 -14.031 13.852 -2.301 375 H ALA 63 H ALA 63 -13.279 11.108 -6.505 376 HA ALA 63 HA ALA 63 -11.479 12.273 -8.255 377 HB1 ALA 63 HB1 ALA 63 -9.731 11.893 -6.590 378 HB2 ALA 63 HB2 ALA 63 -9.487 10.779 -7.943 379 HB3 ALA 63 HB3 ALA 63 -10.202 10.202 -6.445 380 H THR 64 H THR 64 -10.916 8.918 -7.532 381 HA THR 64 HA THR 64 -13.074 8.064 -9.314 382 HB THR 64 HB THR 64 -10.256 6.997 -9.508 383 HG1 THR 64 HG3 THR 64 -9.974 8.923 -10.290 384 HG21 THR 64 HG21 THR 64 -12.115 5.576 -10.280 385 HG22 THR 64 HG22 THR 64 -11.070 6.073 -11.622 386 HG23 THR 64 HG23 THR 64 -12.625 6.854 -11.378 387 H SER 65 H SER 65 -14.079 6.242 -8.449 388 HA SER 65 HA SER 65 -12.828 5.087 -6.072 389 HB2 SER 65 HB2 SER 65 -15.552 4.603 -7.280 390 HB3 SER 65 HB3 SER 65 -14.981 3.965 -5.722 391 HG SER 65 HG SER 65 -14.610 6.622 -5.985 392 H GLU 66 H GLU 66 -13.291 4.425 -9.342 393 HA GLU 66 HA GLU 66 -12.858 1.649 -9.428 394 HB2 GLU 66 HB2 GLU 66 -13.509 3.066 -11.350 395 HB3 GLU 66 HB3 GLU 66 -11.919 3.819 -11.322 396 HG2 GLU 66 HG2 GLU 66 -10.917 1.673 -11.904 397 HG3 GLU 66 HG3 GLU 66 -12.519 0.932 -11.931 398 H GLU 67 H GLU 67 -10.729 4.442 -9.154 399 HA GLU 67 HA GLU 67 -8.671 2.959 -7.876 400 HB2 GLU 67 HB2 GLU 67 -6.923 3.815 -9.434 401 HB3 GLU 67 HB3 GLU 67 -7.994 2.664 -10.205 402 HG2 GLU 67 HG2 GLU 67 -9.197 4.517 -11.278 403 HG3 GLU 67 HG3 GLU 67 -8.149 5.656 -10.475 404 H CYS 68 H CYS 68 -8.327 4.235 -6.180 405 HA CYS 68 HA CYS 68 -9.283 6.826 -5.839 406 HB2 CYS 68 HB2 CYS 68 -8.644 5.618 -3.885 407 HB3 CYS 68 HB3 CYS 68 -7.011 5.381 -4.448 408 H THR 69 H THR 69 -5.834 6.452 -5.633 409 HA THR 69 HA THR 69 -5.304 8.027 -7.996 410 HB THR 69 HB THR 69 -3.621 9.330 -6.591 411 HG1 THR 69 HG3 THR 69 -5.459 8.663 -4.577 412 HG21 THR 69 HG21 THR 69 -6.554 9.880 -6.180 413 HG22 THR 69 HG22 THR 69 -5.563 10.438 -7.535 414 HG23 THR 69 HG23 THR 69 -5.257 11.044 -5.898 415 H VAL 70 H VAL 70 -3.393 7.258 -8.941 416 HA VAL 70 HA VAL 70 -1.700 5.545 -7.271 417 HB VAL 70 HB VAL 70 -3.474 4.209 -8.493 418 HG11 VAL 70 HG11 VAL 70 -3.531 5.381 -10.563 419 HG12 VAL 70 HG12 VAL 70 -3.049 3.700 -10.859 420 HG13 VAL 70 HG13 VAL 70 -1.837 4.997 -10.865 421 HG21 VAL 70 HG21 VAL 70 -1.481 3.183 -7.592 422 HG22 VAL 70 HG22 VAL 70 -0.587 3.601 -9.053 423 HG23 VAL 70 HG23 VAL 70 -1.913 2.440 -9.137 424 H ALA 71 H ALA 71 0.417 5.375 -7.852 425 HA ALA 71 HA ALA 71 1.328 6.860 -10.201 426 HB1 ALA 71 HB1 ALA 71 3.062 7.921 -8.883 427 HB2 ALA 71 HB2 ALA 71 2.393 7.214 -7.389 428 HB3 ALA 71 HB3 ALA 71 1.474 8.409 -8.293 429 H TRP 72 H TRP 72 3.073 5.948 -11.157 430 HA TRP 72 HA TRP 72 3.900 3.405 -10.037 431 HB2 TRP 72 HB2 TRP 72 4.464 4.537 -12.734 432 HB3 TRP 72 HB3 TRP 72 4.678 2.887 -12.242 433 HD1 TRP 72 HD TRP 72 2.622 4.440 -14.563 434 HE1 TRP 72 HE1 TRP 72 0.194 3.492 -14.728 435 HE3 TRP 72 HE3 TRP 72 2.399 1.997 -10.130 436 HZ2 TRP 72 HZ2 TRP 72 -1.542 1.925 -13.169 437 HZ3 TRP 72 HZ3 TRP 72 0.302 0.789 -9.527 438 HH2 TRP 72 HH TRP 72 -1.608 0.771 -11.029 439 H GLY 73 H GLY 73 6.034 3.003 -9.736 440 HA2 GLY 73 HA2 GLY 73 7.714 5.378 -9.482 441 HA3 GLY 73 HA3 GLY 73 7.894 3.830 -8.651 442 H VAL 74 H VAL 74 9.659 5.523 -10.460 443 HA VAL 74 HA VAL 74 10.147 4.132 -12.871 444 HB VAL 74 HB VAL 74 12.089 5.730 -11.192 445 HG11 VAL 74 HG11 VAL 74 12.278 4.963 -14.115 446 HG12 VAL 74 HG12 VAL 74 13.297 4.351 -12.815 447 HG13 VAL 74 HG13 VAL 74 13.390 6.055 -13.282 448 HG21 VAL 74 HG21 VAL 74 11.572 7.576 -12.830 449 HG22 VAL 74 HG22 VAL 74 10.204 7.076 -11.821 450 HG23 VAL 74 HG23 VAL 74 10.309 6.528 -13.484 451 H CYS 75 H CYS 75 10.912 3.517 -9.629 452 HA CYS 75 HA CYS 75 13.096 1.734 -9.985 453 HB2 CYS 75 HB2 CYS 75 12.599 1.390 -7.551 454 HB3 CYS 75 HB3 CYS 75 12.917 3.042 -8.040 455 H ASN 76 H ASN 76 10.181 1.393 -11.136 456 HA ASN 76 HA ASN 76 8.788 -0.222 -11.760 457 HB2 ASN 76 HB2 ASN 76 11.016 -1.385 -12.212 458 HB3 ASN 76 HB3 ASN 76 10.792 -2.179 -10.657 459 HD21 ASN 76 HD21 ASN 76 9.630 -1.872 -13.919 460 HD22 ASN 76 HD22 ASN 76 8.693 -3.306 -13.981 461 H HIS 77 H HIS 77 8.379 1.012 -9.460 462 HA HIS 77 HA HIS 77 7.186 -1.084 -7.817 463 HB2 HIS 77 HB2 HIS 77 8.469 1.473 -7.041 464 HB3 HIS 77 HB3 HIS 77 7.180 0.834 -6.002 465 HD2 HIS 77 HD2 HIS 77 8.401 -2.370 -6.478 466 HE1 HIS 77 HE1 HIS 77 11.544 -0.799 -4.155 467 HE2 HIS 77 HE2 HIS 77 10.693 -2.735 -5.514 468 H ALA 78 H ALA 78 5.086 -0.532 -6.827 469 HA ALA 78 HA ALA 78 3.671 1.549 -8.286 470 HB1 ALA 78 HB1 ALA 78 1.827 -0.010 -8.669 471 HB2 ALA 78 HB2 ALA 78 2.746 -1.301 -7.908 472 HB3 ALA 78 HB3 ALA 78 3.308 -0.596 -9.424 473 H PHE 79 H PHE 79 2.612 2.847 -6.839 474 HA PHE 79 HA PHE 79 1.478 1.623 -4.458 475 HB2 PHE 79 HB2 PHE 79 3.177 4.117 -4.486 476 HB3 PHE 79 HB3 PHE 79 2.274 3.531 -3.100 477 HD1 PHE 79 HD2 PHE 79 3.041 1.271 -2.074 478 HD2 PHE 79 HD3 PHE 79 5.317 3.394 -4.977 479 HE1 PHE 79 HE2 PHE 79 5.123 -0.032 -1.457 480 HE2 PHE 79 HE1 PHE 79 7.314 2.106 -4.358 481 HZ PHE 79 HZ PHE 79 7.189 0.412 -2.603 482 H HIS 80 H HIS 80 -0.068 3.275 -3.431 483 HA HIS 80 HA HIS 80 -1.610 4.620 -5.450 484 HB2 HIS 80 HB2 HIS 80 -1.685 4.428 -2.471 485 HB3 HIS 80 HB3 HIS 80 -2.604 5.664 -3.287 486 HD2 HIS 80 HD2 HIS 80 -4.013 3.857 -5.630 487 HE1 HIS 80 HE1 HIS 80 -5.410 1.491 -2.425 488 HE2 HIS 80 HE2 HIS 80 -5.974 2.601 -4.518 489 H PHE 81 H PHE 81 -1.528 6.762 -5.949 490 HA PHE 81 HA PHE 81 0.769 8.203 -5.297 491 HB2 PHE 81 HB2 PHE 81 -0.437 8.765 -7.290 492 HB3 PHE 81 HB3 PHE 81 -1.859 9.207 -6.353 493 HD1 PHE 81 HD3 PHE 81 1.690 10.091 -6.939 494 HD2 PHE 81 HD2 PHE 81 -2.124 11.421 -5.596 495 HE1 PHE 81 HE1 PHE 81 2.550 12.385 -6.785 496 HE2 PHE 81 HE2 PHE 81 -1.270 13.722 -5.447 497 HZ PHE 81 HZ PHE 81 1.065 14.210 -6.040 498 H HIS 82 H HIS 82 -2.421 8.226 -3.980 499 HA HIS 82 HA HIS 82 -2.303 10.305 -2.059 500 HB2 HIS 82 HB2 HIS 82 -4.341 9.113 -2.547 501 HB3 HIS 82 HB3 HIS 82 -3.636 7.592 -2.080 502 HD2 HIS 82 HD2 HIS 82 -2.648 9.179 0.909 503 HE1 HIS 82 HE1 HIS 82 -6.823 8.726 1.541 504 HE2 HIS 82 HE2 HIS 82 -4.547 8.543 2.548 505 H CYS 83 H CYS 83 -1.362 6.887 -1.773 506 HA CYS 83 HA CYS 83 -0.625 7.219 0.942 507 HB2 CYS 83 HB2 CYS 83 -0.087 4.856 -0.883 508 HB3 CYS 83 HB3 CYS 83 -0.088 4.949 0.879 509 H ILE 84 H ILE 84 1.125 6.821 -2.127 510 HA ILE 84 HA ILE 84 3.656 6.836 -0.905 511 HB ILE 84 HB ILE 84 3.240 6.043 -3.298 512 HG12 ILE 84 HG12 ILE 84 5.318 6.976 -4.235 513 HG13 ILE 84 HG11 ILE 84 5.396 8.116 -2.914 514 HG21 ILE 84 HG21 ILE 84 1.882 7.973 -3.864 515 HG22 ILE 84 HG22 ILE 84 3.096 7.524 -5.083 516 HG23 ILE 84 HG23 ILE 84 3.359 8.938 -4.026 517 HD11 ILE 84 HD11 ILE 84 5.677 6.326 -1.318 518 HD12 ILE 84 HD31 ILE 84 5.449 5.122 -2.583 519 HD13 ILE 84 HD21 ILE 84 6.874 6.150 -2.610 520 H SER 85 H SER 85 1.539 9.401 -1.940 521 HA SER 85 HA SER 85 3.278 11.595 -1.766 522 HB2 SER 85 HB2 SER 85 0.775 11.510 -2.504 523 HB3 SER 85 HB3 SER 85 0.427 11.675 -0.801 524 HG SER 85 HG SER 85 2.235 13.436 -1.985 525 H ARG 86 H ARG 86 1.236 10.123 0.712 526 HA ARG 86 HA ARG 86 2.178 11.689 2.909 527 HB2 ARG 86 HB2 ARG 86 0.803 9.016 2.790 528 HB3 ARG 86 HB3 ARG 86 1.242 9.793 4.306 529 HG2 ARG 86 HG2 ARG 86 -0.525 11.044 2.224 530 HG3 ARG 86 HG3 ARG 86 -1.080 10.122 3.640 531 HD2 ARG 86 HD2 ARG 86 0.081 11.690 5.128 532 HD3 ARG 86 HD3 ARG 86 0.651 12.599 3.736 533 HE ARG 86 HE ARG 86 -2.075 12.670 3.531 534 HH11 ARG 86 HH11 ARG 86 0.194 13.412 6.124 535 HH12 ARG 86 HH12 ARG 86 -0.682 14.738 6.738 536 HH21 ARG 86 HH21 ARG 86 -3.312 14.449 4.326 537 HH22 ARG 86 HH22 ARG 86 -2.741 15.366 5.661 538 H TRP 87 H TRP 87 3.177 8.655 1.559 539 HA TRP 87 HA TRP 87 5.113 7.994 3.473 540 HB2 TRP 87 HB2 TRP 87 4.439 6.357 1.870 541 HB3 TRP 87 HB3 TRP 87 4.949 7.373 0.524 542 HD1 TRP 87 HD TRP 87 7.370 7.051 -0.308 543 HE1 TRP 87 HE1 TRP 87 9.406 5.769 0.585 544 HE3 TRP 87 HE3 TRP 87 5.504 5.607 4.189 545 HZ2 TRP 87 HZ2 TRP 87 10.130 4.325 2.901 546 HZ3 TRP 87 HZ3 TRP 87 6.928 4.269 5.720 547 HH2 TRP 87 HH TRP 87 9.202 3.643 5.077 548 H LEU 88 H LEU 88 5.355 9.810 0.482 549 HA LEU 88 HA LEU 88 8.128 10.338 0.658 550 HB2 LEU 88 HB2 LEU 88 5.933 11.605 -0.944 551 HB3 LEU 88 HB3 LEU 88 7.633 11.975 -1.170 552 HG LEU 88 HG LEU 88 6.472 9.229 -1.420 553 HD11 LEU 88 HD11 LEU 88 7.085 11.250 -3.560 554 HD12 LEU 88 HD12 LEU 88 5.513 10.513 -3.107 555 HD13 LEU 88 HD13 LEU 88 6.784 9.519 -3.795 556 HD21 LEU 88 HD21 LEU 88 8.794 9.132 -0.880 557 HD22 LEU 88 HD22 LEU 88 9.194 10.374 -2.036 558 HD23 LEU 88 HD23 LEU 88 8.639 8.788 -2.599 559 H LYS 89 H LYS 89 5.337 11.932 1.779 560 HA LYS 89 HA LYS 89 6.334 14.451 2.441 561 HB2 LYS 89 HB2 LYS 89 3.966 13.754 2.501 562 HB3 LYS 89 HB3 LYS 89 4.306 12.753 3.902 563 HG2 LYS 89 HG2 LYS 89 4.859 14.775 5.171 564 HG3 LYS 89 HG3 LYS 89 4.481 15.769 3.763 565 HD2 LYS 89 HD2 LYS 89 2.196 14.886 3.746 566 HD3 LYS 89 HD3 LYS 89 2.570 13.910 5.174 567 HE2 LYS 89 HE2 LYS 89 1.371 15.884 5.859 568 HE3 LYS 89 HE1 LYS 89 3.038 15.968 6.399 569 HZ1 LYS 89 HZ1 LYS 89 2.077 18.049 5.408 570 HZ2 LYS 89 HZ2 LYS 89 2.184 17.295 3.884 571 HZ3 LYS 89 HZ3 LYS 89 3.564 17.597 4.758 572 H THR 90 H THR 90 6.424 11.321 4.111 573 HA THR 90 HA THR 90 7.972 12.550 6.221 574 HB THR 90 HB THR 90 7.620 10.430 7.471 575 HG1 THR 90 HG3 THR 90 5.737 9.699 5.483 576 HG21 THR 90 HG21 THR 90 5.138 11.684 6.315 577 HG22 THR 90 HG22 THR 90 6.046 12.313 7.694 578 HG23 THR 90 HG23 THR 90 5.207 10.761 7.814 579 H ARG 91 H ARG 91 8.421 10.417 3.482 580 HA ARG 91 HA ARG 91 11.161 9.851 4.388 581 HB2 ARG 91 HB2 ARG 91 9.341 7.890 2.956 582 HB3 ARG 91 HB3 ARG 91 11.017 7.652 3.384 583 HG2 ARG 91 HG2 ARG 91 8.825 8.115 5.388 584 HG3 ARG 91 HG3 ARG 91 9.425 6.533 4.919 585 HD2 ARG 91 HD2 ARG 91 11.608 7.054 5.699 586 HD3 ARG 91 HD3 ARG 91 11.155 8.719 6.072 587 HE ARG 91 HE ARG 91 10.358 6.273 7.494 588 HH11 ARG 91 HH11 ARG 91 10.324 9.842 7.353 589 HH12 ARG 91 HH12 ARG 91 9.935 10.019 8.991 590 HH21 ARG 91 HH21 ARG 91 9.807 6.594 9.793 591 HH22 ARG 91 HH22 ARG 91 9.659 8.190 10.385 592 H GLN 92 H GLN 92 12.724 9.673 2.854 593 HA GLN 92 HA GLN 92 12.181 11.179 0.405 594 HB2 GLN 92 HB2 GLN 92 14.710 10.444 1.840 595 HB3 GLN 92 HB3 GLN 92 14.684 11.298 0.308 596 HG2 GLN 92 HG2 GLN 92 13.455 13.143 1.365 597 HG3 GLN 92 HG3 GLN 92 13.438 12.249 2.878 598 HE21 GLN 92 HE21 GLN 92 14.456 13.977 3.890 599 HE22 GLN 92 HE22 GLN 92 16.145 14.318 3.670 600 H VAL 93 H VAL 93 12.336 8.022 1.286 601 HA VAL 93 HA VAL 93 13.493 7.133 -1.281 602 HB VAL 93 HB VAL 93 14.558 5.226 -0.041 603 HG11 VAL 93 HG11 VAL 93 15.405 8.001 0.756 604 HG12 VAL 93 HG12 VAL 93 15.889 7.142 -0.704 605 HG13 VAL 93 HG13 VAL 93 16.423 6.557 0.884 606 HG21 VAL 93 HG21 VAL 93 13.147 5.302 1.971 607 HG22 VAL 93 HG22 VAL 93 13.837 6.893 2.354 608 HG23 VAL 93 HG23 VAL 93 14.863 5.469 2.391 609 H CYS 94 H CYS 94 12.844 4.987 -1.904 610 HA CYS 94 HA CYS 94 10.165 4.301 -1.661 611 HB2 CYS 94 HB2 CYS 94 12.537 2.598 -2.127 612 HB3 CYS 94 HB3 CYS 94 10.915 2.008 -2.425 613 HA PRO 95 HA PRO 95 10.115 2.273 2.384 614 HB2 PRO 95 HB2 PRO 95 7.941 0.569 1.692 615 HB3 PRO 95 HB3 PRO 95 7.861 2.042 2.625 616 HG2 PRO 95 HG2 PRO 95 6.898 1.604 -0.002 617 HG3 PRO 95 HG3 PRO 95 6.872 3.117 0.902 618 HD2 PRO 95 HD2 PRO 95 8.562 2.327 -1.320 619 HD3 PRO 95 HD3 PRO 95 8.411 3.919 -0.565 620 H LEU 96 H LEU 96 10.092 0.725 -0.614 621 HA LEU 96 HA LEU 96 10.695 -1.921 0.499 622 HB2 LEU 96 HB2 LEU 96 10.162 -1.154 -2.368 623 HB3 LEU 96 HB3 LEU 96 10.200 -2.779 -1.731 624 HG LEU 96 HG LEU 96 8.116 -0.685 -1.285 625 HD11 LEU 96 HD11 LEU 96 6.670 -2.277 -2.414 626 HD12 LEU 96 HD12 LEU 96 8.077 -3.318 -2.682 627 HD13 LEU 96 HD13 LEU 96 8.017 -1.711 -3.414 628 HD21 LEU 96 HD21 LEU 96 8.405 -1.955 0.807 629 HD22 LEU 96 HD22 LEU 96 8.268 -3.463 -0.104 630 HD23 LEU 96 HD23 LEU 96 6.891 -2.370 -0.002 631 H ASP 97 H ASP 97 11.861 0.335 -1.970 632 HA ASP 97 HA ASP 97 14.307 -1.079 -2.501 633 HB2 ASP 97 HB2 ASP 97 13.083 1.444 -3.405 634 HB3 ASP 97 HB3 ASP 97 14.820 1.299 -3.617 635 H ASN 98 H ASN 98 13.406 1.587 -0.385 636 HA ASN 98 HA ASN 98 14.566 3.131 0.750 637 HB2 ASN 98 HB2 ASN 98 15.367 1.040 1.963 638 HB3 ASN 98 HB3 ASN 98 16.781 1.056 0.915 639 HD21 ASN 98 HD21 ASN 98 18.494 2.309 1.492 640 HD22 ASN 98 HD22 ASN 98 18.514 3.389 2.834 641 H ARG 99 H ARG 99 14.643 3.316 -1.952 642 HA ARG 99 HA ARG 99 17.241 4.634 -2.521 643 HB2 ARG 99 HB2 ARG 99 15.251 3.359 -4.436 644 HB3 ARG 99 HB3 ARG 99 16.667 4.272 -4.915 645 HG2 ARG 99 HG2 ARG 99 18.097 2.579 -3.955 646 HG3 ARG 99 HG3 ARG 99 16.677 1.705 -3.381 647 HD2 ARG 99 HD2 ARG 99 15.879 1.440 -5.685 648 HD3 ARG 99 HD3 ARG 99 17.306 2.304 -6.270 649 HE ARG 99 HE ARG 99 18.324 0.225 -4.883 650 HH11 ARG 99 HH11 ARG 99 15.921 0.463 -7.444 651 HH12 ARG 99 HH12 ARG 99 16.264 -1.025 -8.179 652 HH21 ARG 99 HH21 ARG 99 18.854 -1.872 -5.872 653 HH22 ARG 99 HH22 ARG 99 17.966 -2.388 -7.240 654 H GLU 100 H GLU 100 16.903 6.729 -3.719 655 HA GLU 100 HA GLU 100 14.699 8.170 -2.754 656 HB2 GLU 100 HB2 GLU 100 16.774 9.273 -3.515 657 HB3 GLU 100 HB3 GLU 100 16.421 8.777 -5.161 658 HG2 GLU 100 HG2 GLU 100 14.402 10.158 -5.157 659 HG3 GLU 100 HG3 GLU 100 14.745 10.651 -3.497 660 H TRP 101 H TRP 101 12.644 8.255 -3.379 661 HA TRP 101 HA TRP 101 11.767 6.513 -5.446 662 HB2 TRP 101 HB2 TRP 101 10.350 6.551 -3.551 663 HB3 TRP 101 HB3 TRP 101 10.429 8.265 -3.407 664 HD1 TRP 101 HD TRP 101 8.824 9.738 -4.948 665 HE1 TRP 101 HE1 TRP 101 6.706 9.169 -6.283 666 HE3 TRP 101 HE3 TRP 101 9.233 4.708 -4.909 667 HZ2 TRP 101 HZ2 TRP 101 5.384 6.890 -7.197 668 HZ3 TRP 101 HZ3 TRP 101 7.470 3.358 -6.056 669 HH2 TRP 101 HH TRP 101 5.566 4.501 -7.180 670 H GLU 102 H GLU 102 11.414 6.993 -7.501 671 HA GLU 102 HA GLU 102 10.873 9.778 -8.265 672 HB2 GLU 102 HB2 GLU 102 12.499 7.698 -9.714 673 HB3 GLU 102 HB3 GLU 102 11.888 9.135 -10.526 674 HG2 GLU 102 HG2 GLU 102 13.732 9.135 -8.140 675 HG3 GLU 102 HG3 GLU 102 14.224 9.344 -9.816 676 H PHE 103 H PHE 103 9.173 10.160 -9.543 677 HA PHE 103 HA PHE 103 7.178 8.101 -9.840 678 HB2 PHE 103 HB2 PHE 103 7.220 10.984 -10.765 679 HB3 PHE 103 HB3 PHE 103 5.834 9.941 -10.906 680 HD1 PHE 103 HD2 PHE 103 4.748 9.082 -8.855 681 HD2 PHE 103 HD3 PHE 103 7.684 12.108 -8.801 682 HE1 PHE 103 HE2 PHE 103 3.975 9.766 -6.602 683 HE2 PHE 103 HE1 PHE 103 6.931 12.820 -6.551 684 HZ PHE 103 HZ PHE 103 5.071 11.635 -5.460 685 H GLN 104 H GLN 104 6.603 7.046 -11.646 686 HA GLN 104 HA GLN 104 8.412 7.326 -13.920 687 HB2 GLN 104 HB2 GLN 104 8.157 5.111 -12.938 688 HB3 GLN 104 HB3 GLN 104 6.441 5.139 -13.248 689 HG2 GLN 104 HG2 GLN 104 7.500 3.733 -14.872 690 HG3 GLN 104 HG3 GLN 104 6.920 5.187 -15.671 691 HE21 GLN 104 HE21 GLN 104 8.368 6.587 -16.577 692 HE22 GLN 104 HE22 GLN 104 10.060 6.244 -16.700 693 H LYS 105 H LYS 105 5.133 6.112 -14.253 694 HA LYS 105 HA LYS 105 4.691 8.008 -16.470 695 HB2 LYS 105 HB2 LYS 105 4.204 5.406 -16.475 696 HB3 LYS 105 HB3 LYS 105 2.741 5.941 -15.656 697 HG2 LYS 105 HG2 LYS 105 2.055 7.269 -17.488 698 HG3 LYS 105 HG3 LYS 105 3.596 7.015 -18.326 699 HD2 LYS 105 HD2 LYS 105 3.055 4.593 -18.423 700 HD3 LYS 105 HD3 LYS 105 1.487 4.926 -17.712 701 HE2 LYS 105 HE2 LYS 105 2.517 5.996 -20.343 702 HE3 LYS 105 HE1 LYS 105 1.320 4.722 -20.122 703 HZ1 LYS 105 HZ1 LYS 105 -0.218 6.338 -19.174 704 HZ2 LYS 105 HZ2 LYS 105 0.333 6.897 -20.649 705 HZ3 LYS 105 HZ3 LYS 105 0.946 7.557 -19.248 706 H TYR 106 H TYR 106 3.394 7.081 -13.393 707 HA TYR 106 HA TYR 106 1.566 9.337 -13.551 708 HB2 TYR 106 HB2 TYR 106 1.256 6.667 -12.339 709 HB3 TYR 106 HB3 TYR 106 0.406 8.029 -11.602 710 HD1 TYR 106 HD3 TYR 106 0.849 6.100 -14.742 711 HD2 TYR 106 HD2 TYR 106 -1.408 8.955 -12.583 712 HE1 TYR 106 HE1 TYR 106 -0.925 5.955 -16.452 713 HE2 TYR 106 HE2 TYR 106 -3.222 8.830 -14.298 714 HH TYR 106 HH TYR 106 -3.500 8.221 -16.552 715 H GLY 107 H GLY 107 1.354 10.762 -12.074 716 HA2 GLY 107 HA2 GLY 107 1.920 11.900 -10.140 717 HA3 GLY 107 HA3 GLY 107 3.183 10.700 -9.837 718 H HIS 108 H HIS 108 2.907 13.822 -10.373 719 HA HIS 108 HA HIS 108 5.266 13.903 -12.066 720 HB2 HIS 108 HB2 HIS 108 4.277 16.254 -12.764 721 HB3 HIS 108 HB3 HIS 108 3.761 14.785 -13.585 722 HD2 HIS 108 HD2 HIS 108 1.116 15.063 -14.043 723 HE1 HIS 108 HE1 HIS 108 0.067 16.680 -10.272 724 HE2 HIS 108 HE2 HIS 108 -0.654 16.307 -12.645 Start of MODEL 8 1 H1 GLY 9 H GLY 9 -23.851 14.745 -1.203 2 HA2 GLY 9 HA2 GLY 9 -22.912 12.303 -2.453 3 HA3 GLY 9 HA3 GLY 9 -24.583 12.796 -2.223 4 H GLY 10 H GLY 10 -21.881 12.801 -4.330 5 HA2 GLY 10 HA2 GLY 10 -22.562 12.926 -6.707 6 HA3 GLY 10 HA3 GLY 10 -23.416 14.401 -6.270 7 H GLY 11 H GLY 11 -20.478 13.041 -7.229 8 HA2 GLY 11 HA2 GLY 11 -19.134 15.636 -6.828 9 HA3 GLY 11 HA3 GLY 11 -18.295 14.090 -6.732 10 H GLY 12 H GLY 12 -17.735 16.325 -8.516 11 HA2 GLY 12 HA2 GLY 12 -18.556 15.235 -11.099 12 HA3 GLY 12 HA3 GLY 12 -17.823 16.812 -10.816 13 H THR 13 H THR 13 -17.058 14.677 -12.673 14 HA THR 13 HA THR 13 -14.381 14.166 -11.609 15 HB THR 13 HB THR 13 -15.539 12.084 -12.165 16 HG1 THR 13 HG3 THR 13 -13.646 11.490 -12.654 17 HG21 THR 13 HG21 THR 13 -15.725 13.160 -14.988 18 HG22 THR 13 HG22 THR 13 -17.083 12.903 -13.884 19 HG23 THR 13 HG23 THR 13 -16.160 11.525 -14.481 20 H ASN 14 H ASN 14 -12.730 15.113 -12.512 21 HA ASN 14 HA ASN 14 -13.230 16.724 -14.931 22 HB2 ASN 14 HB2 ASN 14 -11.208 17.148 -12.715 23 HB3 ASN 14 HB3 ASN 14 -11.261 18.099 -14.192 24 HD21 ASN 14 HD21 ASN 14 -11.610 19.996 -13.028 25 HD22 ASN 14 HD22 ASN 14 -13.133 20.341 -12.279 26 H SER 15 H SER 15 -12.178 16.253 -16.726 27 HA SER 15 HA SER 15 -10.388 14.025 -16.766 28 HB2 SER 15 HB2 SER 15 -11.099 15.933 -18.997 29 HB3 SER 15 HB3 SER 15 -10.452 14.299 -19.159 30 HG SER 15 HG SER 15 -12.919 14.977 -19.162 31 H GLY 16 H GLY 16 -8.164 14.025 -17.275 32 HA2 GLY 16 HA2 GLY 16 -6.296 15.386 -18.134 33 HA3 GLY 16 HA3 GLY 16 -6.877 16.668 -17.089 34 H ALA 17 H ALA 17 -4.282 15.334 -17.156 35 HA ALA 17 HA ALA 17 -4.256 13.897 -14.606 36 HB1 ALA 17 HB1 ALA 17 -1.995 13.209 -15.244 37 HB2 ALA 17 HB2 ALA 17 -2.088 14.218 -16.683 38 HB3 ALA 17 HB3 ALA 17 -3.152 12.820 -16.518 39 H GLY 18 H GLY 18 -3.271 14.719 -12.818 40 HA2 GLY 18 HA2 GLY 18 -2.003 16.120 -11.515 41 HA3 GLY 18 HA3 GLY 18 -1.406 16.886 -12.975 42 H LYS 19 H LYS 19 -4.722 16.865 -13.087 43 HA LYS 19 HA LYS 19 -4.775 19.701 -12.498 44 HB2 LYS 19 HB2 LYS 19 -6.885 17.883 -13.624 45 HB3 LYS 19 HB3 LYS 19 -7.161 19.587 -13.288 46 HG2 LYS 19 HG2 LYS 19 -5.367 20.170 -14.850 47 HG3 LYS 19 HG3 LYS 19 -5.134 18.458 -15.204 48 HD2 LYS 19 HD2 LYS 19 -7.437 18.317 -16.023 49 HD3 LYS 19 HD3 LYS 19 -7.668 20.021 -15.646 50 HE2 LYS 19 HE2 LYS 19 -5.912 20.621 -17.240 51 HE3 LYS 19 HE1 LYS 19 -5.664 18.916 -17.614 52 HZ1 LYS 19 HZ1 LYS 19 -7.062 20.129 -19.218 53 HZ2 LYS 19 HZ2 LYS 19 -8.242 20.342 -18.034 54 HZ3 LYS 19 HZ3 LYS 19 -7.816 18.777 -18.563 55 H LYS 20 H LYS 20 -5.409 16.924 -10.742 56 HA LYS 20 HA LYS 20 -7.511 18.016 -9.104 57 HB2 LYS 20 HB2 LYS 20 -5.686 15.652 -8.639 58 HB3 LYS 20 HB3 LYS 20 -7.031 16.099 -7.610 59 HG2 LYS 20 HG2 LYS 20 -8.570 15.695 -9.480 60 HG3 LYS 20 HG3 LYS 20 -7.197 15.216 -10.482 61 HD2 LYS 20 HD2 LYS 20 -6.666 13.438 -8.847 62 HD3 LYS 20 HD3 LYS 20 -8.106 13.891 -7.932 63 HE2 LYS 20 HE2 LYS 20 -8.043 12.865 -10.770 64 HE3 LYS 20 HE1 LYS 20 -8.546 11.960 -9.341 65 HZ1 LYS 20 HZ1 LYS 20 -9.892 14.354 -10.477 66 HZ2 LYS 20 HZ2 LYS 20 -10.364 13.634 -9.065 67 HZ3 LYS 20 HZ3 LYS 20 -10.454 12.771 -10.540 68 H ARG 21 H ARG 21 -7.284 19.086 -7.197 69 HA ARG 21 HA ARG 21 -4.612 19.789 -6.337 70 HB2 ARG 21 HB2 ARG 21 -6.475 21.438 -6.167 71 HB3 ARG 21 HB3 ARG 21 -7.303 20.362 -5.050 72 HG2 ARG 21 HG2 ARG 21 -6.242 22.090 -3.764 73 HG3 ARG 21 HG3 ARG 21 -5.368 20.568 -3.529 74 HD2 ARG 21 HD2 ARG 21 -3.793 22.390 -3.804 75 HD3 ARG 21 HD3 ARG 21 -3.687 21.287 -5.168 76 HE ARG 21 HE ARG 21 -5.477 23.456 -5.640 77 HH11 ARG 21 HH11 ARG 21 -2.018 22.546 -5.707 78 HH12 ARG 21 HH12 ARG 21 -1.622 23.727 -6.863 79 HH21 ARG 21 HH21 ARG 21 -4.849 25.110 -7.216 80 HH22 ARG 21 HH22 ARG 21 -3.240 25.207 -7.721 81 H PHE 22 H PHE 22 -3.482 18.517 -5.010 82 HA PHE 22 HA PHE 22 -4.873 16.167 -4.074 83 HB2 PHE 22 HB2 PHE 22 -1.918 16.718 -4.306 84 HB3 PHE 22 HB3 PHE 22 -2.598 15.211 -3.691 85 HD1 PHE 22 HD2 PHE 22 -4.175 13.915 -5.227 86 HD2 PHE 22 HD3 PHE 22 -1.627 17.035 -6.602 87 HE1 PHE 22 HE2 PHE 22 -4.391 13.071 -7.528 88 HE2 PHE 22 HE1 PHE 22 -1.841 16.197 -8.905 89 HZ PHE 22 HZ PHE 22 -3.222 14.212 -9.370 90 H GLU 23 H GLU 23 -5.771 17.981 -2.588 91 HA GLU 23 HA GLU 23 -4.390 18.046 -0.040 92 HB2 GLU 23 HB2 GLU 23 -7.131 19.003 -0.864 93 HB3 GLU 23 HB3 GLU 23 -6.510 19.127 0.777 94 HG2 GLU 23 HG2 GLU 23 -5.258 20.374 -1.646 95 HG3 GLU 23 HG3 GLU 23 -6.289 21.224 -0.490 96 H VAL 24 H VAL 24 -6.258 15.884 -1.729 97 HA VAL 24 HA VAL 24 -7.748 14.737 0.420 98 HB VAL 24 HB VAL 24 -6.955 13.310 -2.129 99 HG11 VAL 24 HG11 VAL 24 -7.934 11.868 -0.455 100 HG12 VAL 24 HG12 VAL 24 -9.077 12.091 -1.780 101 HG13 VAL 24 HG13 VAL 24 -9.298 12.968 -0.266 102 HG21 VAL 24 HG21 VAL 24 -7.935 15.433 -2.773 103 HG22 VAL 24 HG22 VAL 24 -9.300 15.160 -1.695 104 HG23 VAL 24 HG23 VAL 24 -9.074 14.129 -3.107 105 H LYS 25 H LYS 25 -6.097 14.641 1.950 106 HA LYS 25 HA LYS 25 -4.824 12.095 2.011 107 HB2 LYS 25 HB2 LYS 25 -2.633 13.200 2.827 108 HB3 LYS 25 HB3 LYS 25 -2.940 13.120 1.104 109 HG2 LYS 25 HG2 LYS 25 -2.048 15.266 1.519 110 HG3 LYS 25 HG3 LYS 25 -3.774 15.498 1.262 111 HD2 LYS 25 HD2 LYS 25 -4.111 15.660 3.679 112 HD3 LYS 25 HD3 LYS 25 -2.383 15.395 3.946 113 HE2 LYS 25 HE2 LYS 25 -1.881 17.428 2.674 114 HE3 LYS 25 HE1 LYS 25 -3.602 17.677 2.402 115 HZ1 LYS 25 HZ1 LYS 25 -3.920 18.070 4.735 116 HZ2 LYS 25 HZ2 LYS 25 -2.644 19.022 4.180 117 HZ3 LYS 25 HZ3 LYS 25 -2.310 17.628 5.074 118 H LYS 26 H LYS 26 -4.101 11.520 4.141 119 HA LYS 26 HA LYS 26 -5.405 13.119 6.201 120 HB2 LYS 26 HB2 LYS 26 -6.522 10.876 5.497 121 HB3 LYS 26 HB3 LYS 26 -5.138 10.104 6.238 122 HG2 LYS 26 HG2 LYS 26 -7.010 10.086 7.740 123 HG3 LYS 26 HG3 LYS 26 -5.794 11.108 8.451 124 HD2 LYS 26 HD2 LYS 26 -7.854 12.217 8.730 125 HD3 LYS 26 HD3 LYS 26 -7.051 13.076 7.419 126 HE2 LYS 26 HE2 LYS 26 -9.384 12.719 6.881 127 HE3 LYS 26 HE1 LYS 26 -8.380 11.770 5.795 128 HZ1 LYS 26 HZ1 LYS 26 -10.249 10.516 6.559 129 HZ2 LYS 26 HZ2 LYS 26 -9.890 10.776 8.156 130 HZ3 LYS 26 HZ3 LYS 26 -8.856 9.799 7.194 131 H SER 27 H SER 27 -4.324 11.580 8.372 132 HA SER 27 HA SER 27 -1.921 12.897 8.639 133 HB2 SER 27 HB2 SER 27 -2.984 10.566 10.218 134 HB3 SER 27 HB3 SER 27 -1.809 11.773 10.760 135 HG SER 27 HG SER 27 -3.563 13.282 10.081 136 H ASN 28 H ASN 28 0.130 12.325 8.473 137 HA ASN 28 HA ASN 28 0.749 9.719 7.291 138 HB2 ASN 28 HB2 ASN 28 2.762 10.772 6.326 139 HB3 ASN 28 HB3 ASN 28 1.291 11.572 5.794 140 HD21 ASN 28 HD21 ASN 28 4.011 12.528 5.839 141 HD22 ASN 28 HD22 ASN 28 4.023 13.965 6.815 142 H ALA 29 H ALA 29 1.379 11.889 9.910 143 HA ALA 29 HA ALA 29 3.684 10.607 10.943 144 HB1 ALA 29 HB1 ALA 29 2.976 12.839 11.683 145 HB2 ALA 29 HB2 ALA 29 3.112 11.735 13.049 146 HB3 ALA 29 HB3 ALA 29 1.526 12.141 12.403 147 H SER 30 H SER 30 0.232 10.165 11.378 148 HA SER 30 HA SER 30 0.467 7.908 13.104 149 HB2 SER 30 HB2 SER 30 -1.864 8.700 11.349 150 HB3 SER 30 HB3 SER 30 -1.914 7.735 12.827 151 HG SER 30 HG SER 30 -1.882 9.475 13.982 152 H ALA 31 H ALA 31 0.462 5.755 12.513 153 HA ALA 31 HA ALA 31 0.535 5.230 9.631 154 HB1 ALA 31 HB1 ALA 31 2.344 3.632 9.986 155 HB2 ALA 31 HB2 ALA 31 2.368 4.042 11.703 156 HB3 ALA 31 HB3 ALA 31 2.817 5.252 10.503 157 H GLN 32 H GLN 32 -0.653 3.637 8.965 158 HA GLN 32 HA GLN 32 -1.698 1.694 10.894 159 HB2 GLN 32 HB2 GLN 32 -3.898 1.799 9.788 160 HB3 GLN 32 HB3 GLN 32 -3.451 3.340 10.487 161 HG2 GLN 32 HG2 GLN 32 -3.145 2.694 7.558 162 HG3 GLN 32 HG3 GLN 32 -4.585 3.429 8.241 163 HE21 GLN 32 HE21 GLN 32 -4.457 5.545 9.006 164 HE22 GLN 32 HE22 GLN 32 -3.207 6.633 8.562 165 H SER 33 H SER 33 0.533 1.561 9.045 166 HA SER 33 HA SER 33 -0.333 0.249 6.658 167 HB2 SER 33 HB2 SER 33 2.450 0.539 7.770 168 HB3 SER 33 HB3 SER 33 1.979 0.271 6.091 169 HG SER 33 HG SER 33 0.944 2.290 6.142 170 H ALA 34 H ALA 34 -1.193 -1.759 7.042 171 HA ALA 34 HA ALA 34 0.024 -3.672 8.766 172 HB1 ALA 34 HB1 ALA 34 -2.273 -4.000 8.194 173 HB2 ALA 34 HB2 ALA 34 -1.387 -5.329 7.424 174 HB3 ALA 34 HB3 ALA 34 -1.919 -3.929 6.480 175 H TRP 35 H TRP 35 1.370 -5.456 8.152 176 HA TRP 35 HA TRP 35 3.231 -4.446 6.162 177 HB2 TRP 35 HB2 TRP 35 3.620 -6.502 8.332 178 HB3 TRP 35 HB3 TRP 35 4.874 -5.993 7.202 179 HD1 TRP 35 HD TRP 35 3.305 -5.067 10.460 180 HE1 TRP 35 HE1 TRP 35 4.298 -2.844 11.325 181 HE3 TRP 35 HE3 TRP 35 5.798 -3.580 6.246 182 HZ2 TRP 35 HZ2 TRP 35 5.904 -0.756 10.354 183 HZ3 TRP 35 HZ3 TRP 35 7.034 -1.452 6.303 184 HH2 TRP 35 HH TRP 35 7.084 -0.073 8.313 185 H ASP 36 H ASP 36 2.653 -5.075 4.218 186 HA ASP 36 HA ASP 36 3.233 -7.849 3.530 187 HB2 ASP 36 HB2 ASP 36 0.791 -6.311 2.610 188 HB3 ASP 36 HB3 ASP 36 1.428 -7.682 1.722 189 H ILE 37 H ILE 37 4.772 -7.808 1.938 190 HA ILE 37 HA ILE 37 5.006 -5.258 0.526 191 HB ILE 37 HB ILE 37 7.285 -5.945 -0.148 192 HG12 ILE 37 HG12 ILE 37 6.824 -8.301 1.654 193 HG13 ILE 37 HG11 ILE 37 6.805 -8.394 -0.087 194 HG21 ILE 37 HG21 ILE 37 8.339 -5.753 2.057 195 HG22 ILE 37 HG22 ILE 37 6.801 -6.142 2.822 196 HG23 ILE 37 HG23 ILE 37 6.970 -4.649 1.908 197 HD11 ILE 37 HD11 ILE 37 8.960 -9.143 0.807 198 HD12 ILE 37 HD31 ILE 37 9.090 -7.729 -0.233 199 HD13 ILE 37 HD21 ILE 37 9.208 -7.538 1.524 200 H VAL 38 H VAL 38 3.956 -5.195 -1.219 201 HA VAL 38 HA VAL 38 4.289 -7.296 -3.203 202 HB VAL 38 HB VAL 38 1.585 -6.117 -2.543 203 HG11 VAL 38 HG11 VAL 38 0.668 -7.851 -4.049 204 HG12 VAL 38 HG12 VAL 38 2.322 -8.299 -4.474 205 HG13 VAL 38 HG13 VAL 38 1.718 -6.687 -4.851 206 HG21 VAL 38 HG21 VAL 38 2.194 -7.624 -0.748 207 HG22 VAL 38 HG22 VAL 38 2.584 -8.887 -1.910 208 HG23 VAL 38 HG23 VAL 38 0.911 -8.351 -1.719 209 H VAL 39 H VAL 39 4.431 -6.354 -5.295 210 HA VAL 39 HA VAL 39 4.491 -3.519 -5.467 211 HB VAL 39 HB VAL 39 4.498 -5.521 -7.750 212 HG11 VAL 39 HG11 VAL 39 3.812 -3.334 -8.531 213 HG12 VAL 39 HG12 VAL 39 5.455 -3.653 -9.091 214 HG13 VAL 39 HG13 VAL 39 5.174 -2.573 -7.727 215 HG21 VAL 39 HG21 VAL 39 6.398 -5.834 -6.258 216 HG22 VAL 39 HG22 VAL 39 6.782 -4.117 -6.364 217 HG23 VAL 39 HG23 VAL 39 6.931 -5.143 -7.792 218 H ASP 40 H ASP 40 2.151 -5.927 -6.377 219 HA ASP 40 HA ASP 40 0.412 -3.893 -7.480 220 HB2 ASP 40 HB2 ASP 40 -1.232 -5.700 -7.998 221 HB3 ASP 40 HB3 ASP 40 0.340 -5.900 -8.745 222 H ASN 41 H ASN 41 0.992 -4.401 -4.445 223 HA ASN 41 HA ASN 41 -1.684 -3.423 -3.794 224 HB2 ASN 41 HB2 ASN 41 -0.033 -5.317 -2.097 225 HB3 ASN 41 HB3 ASN 41 -1.252 -4.270 -1.415 226 HD21 ASN 41 HD21 ASN 41 -1.082 -7.193 -1.535 227 HD22 ASN 41 HD22 ASN 41 -2.536 -7.701 -2.297 228 H CYS 42 H CYS 42 -1.756 -1.706 -2.400 229 HA CYS 42 HA CYS 42 0.698 -0.155 -2.186 230 HB2 CYS 42 HB2 CYS 42 -1.713 0.750 -2.625 231 HB3 CYS 42 HB3 CYS 42 -1.975 0.431 -0.948 232 H ALA 43 H ALA 43 1.992 -0.675 -0.549 233 HA ALA 43 HA ALA 43 0.986 -2.253 1.665 234 HB1 ALA 43 HB1 ALA 43 3.331 -2.328 2.400 235 HB2 ALA 43 HB2 ALA 43 3.762 -1.167 1.143 236 HB3 ALA 43 HB3 ALA 43 3.171 -2.768 0.700 237 H ILE 44 H ILE 44 1.359 0.991 0.956 238 HA ILE 44 HA ILE 44 2.166 1.996 3.471 239 HB ILE 44 HB ILE 44 0.693 3.385 1.227 240 HG12 ILE 44 HG12 ILE 44 3.659 3.040 1.767 241 HG13 ILE 44 HG11 ILE 44 2.731 2.300 0.516 242 HG21 ILE 44 HG21 ILE 44 2.416 4.477 3.483 243 HG22 ILE 44 HG22 ILE 44 0.661 4.623 3.386 244 HG23 ILE 44 HG23 ILE 44 1.680 5.442 2.204 245 HD11 ILE 44 HD11 ILE 44 2.279 4.419 -0.550 246 HD12 ILE 44 HD31 ILE 44 3.155 5.259 0.728 247 HD13 ILE 44 HD21 ILE 44 4.016 4.167 -0.355 248 H CYS 45 H CYS 45 -0.968 1.628 1.888 249 HA CYS 45 HA CYS 45 -2.329 2.202 4.425 250 HB2 CYS 45 HB2 CYS 45 -4.369 1.997 2.932 251 HB3 CYS 45 HB3 CYS 45 -3.300 3.369 2.576 252 H ARG 46 H ARG 46 -1.449 -0.267 2.213 253 HA ARG 46 HA ARG 46 -1.707 -2.388 1.991 254 HB2 ARG 46 HB2 ARG 46 -1.458 -2.311 4.585 255 HB3 ARG 46 HB3 ARG 46 -3.159 -2.755 4.598 256 HG2 ARG 46 HG2 ARG 46 -1.017 -4.334 3.169 257 HG3 ARG 46 HG3 ARG 46 -1.535 -4.696 4.797 258 HD2 ARG 46 HD2 ARG 46 -3.873 -4.947 3.878 259 HD3 ARG 46 HD3 ARG 46 -3.134 -4.764 2.280 260 HE ARG 46 HE ARG 46 -1.787 -6.812 3.606 261 HH11 ARG 46 HH11 ARG 46 -5.033 -6.172 2.319 262 HH12 ARG 46 HH12 ARG 46 -5.394 -7.790 2.010 263 HH21 ARG 46 HH21 ARG 46 -2.299 -9.094 3.198 264 HH22 ARG 46 HH22 ARG 46 -3.828 -9.474 2.520 265 H ASN 47 H ASN 47 -3.071 -1.207 0.546 266 HA ASN 47 HA ASN 47 -5.596 -2.693 0.375 267 HB2 ASN 47 HB2 ASN 47 -6.039 -0.313 1.024 268 HB3 ASN 47 HB3 ASN 47 -5.265 0.213 -0.469 269 HD21 ASN 47 HD21 ASN 47 -8.100 -1.130 1.019 270 HD22 ASN 47 HD22 ASN 47 -9.071 -1.097 -0.408 271 H HIS 48 H HIS 48 -6.331 -2.405 -2.102 272 HA HIS 48 HA HIS 48 -4.243 -3.732 -3.538 273 HB2 HIS 48 HB2 HIS 48 -6.681 -4.258 -3.709 274 HB3 HIS 48 HB3 HIS 48 -6.899 -2.771 -4.628 275 HD2 HIS 48 HD2 HIS 48 -4.369 -5.780 -5.097 276 HE1 HIS 48 HE1 HIS 48 -6.283 -4.944 -8.784 277 HE2 HIS 48 HE2 HIS 48 -4.467 -6.262 -7.624 278 H ILE 49 H ILE 49 -3.409 -3.097 -5.693 279 HA ILE 49 HA ILE 49 -2.073 -0.732 -5.504 280 HB ILE 49 HB ILE 49 -1.137 -2.431 -6.867 281 HG12 ILE 49 HG12 ILE 49 -0.670 -1.185 -9.020 282 HG13 ILE 49 HG11 ILE 49 -1.974 -0.125 -8.597 283 HG21 ILE 49 HG21 ILE 49 -3.500 -2.170 -8.722 284 HG22 ILE 49 HG22 ILE 49 -3.188 -3.515 -7.631 285 HG23 ILE 49 HG23 ILE 49 -2.094 -3.205 -8.982 286 HD11 ILE 49 HD11 ILE 49 0.480 -0.462 -6.913 287 HD12 ILE 49 HD31 ILE 49 0.126 0.893 -8.016 288 HD13 ILE 49 HD21 ILE 49 -0.921 0.605 -6.640 289 H MET 50 H MET 50 -4.858 -1.319 -7.671 290 HA MET 50 HA MET 50 -4.996 1.560 -7.859 291 HB2 MET 50 HB2 MET 50 -4.036 0.800 -9.849 292 HB3 MET 50 HB3 MET 50 -5.208 -0.459 -10.100 293 HG2 MET 50 HG2 MET 50 -6.912 1.316 -10.529 294 HG3 MET 50 HG3 MET 50 -5.659 2.526 -10.239 295 HE1 MET 50 HE1 MET 50 -5.516 -0.451 -13.769 296 HE2 MET 50 HE2 MET 50 -6.728 -0.506 -12.484 297 HE3 MET 50 HE3 MET 50 -5.047 -0.894 -12.131 298 H ASP 51 H ASP 51 -6.510 1.663 -6.298 299 HA ASP 51 HA ASP 51 -9.228 1.125 -6.868 300 HB2 ASP 51 HB2 ASP 51 -8.381 -1.160 -6.195 301 HB3 ASP 51 HB3 ASP 51 -7.858 -0.472 -4.669 302 H LEU 52 H LEU 52 -10.384 1.604 -4.644 303 HA LEU 52 HA LEU 52 -9.489 4.109 -3.620 304 HB2 LEU 52 HB2 LEU 52 -11.596 2.162 -2.848 305 HB3 LEU 52 HB3 LEU 52 -11.360 3.649 -1.935 306 HG LEU 52 HG LEU 52 -12.062 3.540 -4.882 307 HD11 LEU 52 HD11 LEU 52 -13.926 4.237 -2.634 308 HD12 LEU 52 HD12 LEU 52 -13.693 2.574 -3.094 309 HD13 LEU 52 HD13 LEU 52 -14.332 3.728 -4.283 310 HD21 LEU 52 HD21 LEU 52 -10.984 5.605 -4.166 311 HD22 LEU 52 HD22 LEU 52 -12.066 5.668 -2.780 312 HD23 LEU 52 HD23 LEU 52 -12.724 5.888 -4.413 313 H CYS 53 H CYS 53 -8.295 4.463 -1.768 314 HA CYS 53 HA CYS 53 -6.810 2.353 -0.503 315 HB2 CYS 53 HB2 CYS 53 -7.160 5.156 0.551 316 HB3 CYS 53 HB3 CYS 53 -5.793 4.078 0.761 317 H ILE 54 H ILE 54 -6.666 2.702 2.015 318 HA ILE 54 HA ILE 54 -8.483 1.335 3.442 319 HB ILE 54 HB ILE 54 -7.767 2.928 5.391 320 HG12 ILE 54 HG12 ILE 54 -5.859 3.739 3.168 321 HG13 ILE 54 HG11 ILE 54 -6.959 4.784 3.931 322 HG21 ILE 54 HG21 ILE 54 -5.899 1.131 3.883 323 HG22 ILE 54 HG22 ILE 54 -7.005 0.709 5.214 324 HG23 ILE 54 HG23 ILE 54 -5.625 1.773 5.509 325 HD11 ILE 54 HD11 ILE 54 -4.657 3.480 5.319 326 HD12 ILE 54 HD31 ILE 54 -4.777 5.160 4.776 327 HD13 ILE 54 HD21 ILE 54 -5.847 4.572 6.051 328 H GLU 55 H GLU 55 -8.454 4.744 4.158 329 HA GLU 55 HA GLU 55 -11.132 4.792 5.064 330 HB2 GLU 55 HB2 GLU 55 -9.407 7.090 4.225 331 HB3 GLU 55 HB3 GLU 55 -10.754 7.116 5.335 332 HG2 GLU 55 HG2 GLU 55 -9.466 5.602 6.898 333 HG3 GLU 55 HG3 GLU 55 -8.156 5.724 5.788 334 H CYS 56 H CYS 56 -9.490 5.387 2.104 335 HA CYS 56 HA CYS 56 -11.298 7.165 0.942 336 HB2 CYS 56 HB2 CYS 56 -9.424 5.221 -0.361 337 HB3 CYS 56 HB3 CYS 56 -10.232 6.542 -1.197 338 H GLN 57 H GLN 57 -11.165 3.580 0.652 339 HA GLN 57 HA GLN 57 -13.451 3.520 -0.979 340 HB2 GLN 57 HB2 GLN 57 -13.599 1.122 -0.396 341 HB3 GLN 57 HB3 GLN 57 -12.064 1.618 -1.094 342 HG2 GLN 57 HG2 GLN 57 -11.337 0.292 0.502 343 HG3 GLN 57 HG3 GLN 57 -11.374 1.794 1.404 344 HE21 GLN 57 HE21 GLN 57 -14.281 -0.036 0.576 345 HE22 GLN 57 HE22 GLN 57 -14.646 -0.484 2.198 346 H ALA 58 H ALA 58 -13.051 3.426 2.419 347 HA ALA 58 HA ALA 58 -15.753 2.838 3.085 348 HB1 ALA 58 HB1 ALA 58 -15.233 3.700 5.306 349 HB2 ALA 58 HB2 ALA 58 -13.767 4.450 4.687 350 HB3 ALA 58 HB3 ALA 58 -13.909 2.689 4.724 351 H ASN 59 H ASN 59 -13.980 5.887 2.635 352 HA ASN 59 HA ASN 59 -16.107 7.652 3.003 353 HB2 ASN 59 HB2 ASN 59 -13.530 7.761 1.472 354 HB3 ASN 59 HB3 ASN 59 -14.668 9.080 1.412 355 HD21 ASN 59 HD21 ASN 59 -14.229 7.196 4.308 356 HD22 ASN 59 HD22 ASN 59 -13.388 8.390 5.209 357 H GLN 60 H GLN 60 -14.931 5.809 0.256 358 HA GLN 60 HA GLN 60 -15.416 5.713 -1.914 359 HB2 GLN 60 HB2 GLN 60 -17.572 4.807 -0.955 360 HB3 GLN 60 HB3 GLN 60 -18.242 6.424 -1.054 361 HG2 GLN 60 HG2 GLN 60 -18.022 6.388 -3.473 362 HG3 GLN 60 HG3 GLN 60 -17.288 4.787 -3.396 363 HE21 GLN 60 HE21 GLN 60 -18.862 3.783 -4.580 364 HE22 GLN 60 HE22 GLN 60 -20.469 3.533 -3.993 365 H ALA 61 H ALA 61 -14.074 7.665 -1.603 366 HA ALA 61 HA ALA 61 -15.162 10.278 -1.719 367 HB1 ALA 61 HB1 ALA 61 -12.868 11.010 -2.057 368 HB2 ALA 61 HB2 ALA 61 -12.374 9.351 -2.403 369 HB3 ALA 61 HB3 ALA 61 -12.942 9.784 -0.788 370 H SER 62 H SER 62 -15.452 11.651 -3.381 371 HA SER 62 HA SER 62 -15.597 10.362 -5.973 372 HB2 SER 62 HB2 SER 62 -16.848 12.942 -5.032 373 HB3 SER 62 HB3 SER 62 -17.112 12.171 -6.601 374 HG SER 62 HG SER 62 -17.552 10.267 -5.074 375 H ALA 63 H ALA 63 -13.119 10.757 -5.523 376 HA ALA 63 HA ALA 63 -12.361 13.027 -7.244 377 HB1 ALA 63 HB1 ALA 63 -10.026 12.436 -6.627 378 HB2 ALA 63 HB2 ALA 63 -10.636 11.114 -5.632 379 HB3 ALA 63 HB3 ALA 63 -11.001 12.785 -5.200 380 H THR 64 H THR 64 -11.499 9.615 -6.739 381 HA THR 64 HA THR 64 -12.621 8.850 -9.246 382 HB THR 64 HB THR 64 -9.807 7.923 -8.586 383 HG1 THR 64 HG3 THR 64 -10.656 10.268 -9.878 384 HG21 THR 64 HG21 THR 64 -11.136 6.589 -10.140 385 HG22 THR 64 HG22 THR 64 -9.755 7.330 -10.957 386 HG23 THR 64 HG23 THR 64 -11.369 8.005 -11.168 387 H SER 65 H SER 65 -13.294 6.595 -8.973 388 HA SER 65 HA SER 65 -12.563 5.492 -6.345 389 HB2 SER 65 HB2 SER 65 -15.203 5.290 -7.747 390 HB3 SER 65 HB3 SER 65 -14.822 4.504 -6.207 391 HG SER 65 HG SER 65 -14.175 7.035 -5.956 392 H GLU 66 H GLU 66 -12.574 5.034 -9.662 393 HA GLU 66 HA GLU 66 -12.395 2.216 -9.810 394 HB2 GLU 66 HB2 GLU 66 -12.532 3.930 -11.692 395 HB3 GLU 66 HB3 GLU 66 -10.883 4.304 -11.350 396 HG2 GLU 66 HG2 GLU 66 -10.984 2.775 -13.253 397 HG3 GLU 66 HG3 GLU 66 -10.134 2.060 -11.884 398 H GLU 67 H GLU 67 -10.197 4.846 -9.072 399 HA GLU 67 HA GLU 67 -8.513 3.167 -7.503 400 HB2 GLU 67 HB2 GLU 67 -6.540 4.307 -8.405 401 HB3 GLU 67 HB3 GLU 67 -7.378 3.506 -9.733 402 HG2 GLU 67 HG2 GLU 67 -8.352 5.590 -10.438 403 HG3 GLU 67 HG3 GLU 67 -7.669 6.426 -9.056 404 H CYS 68 H CYS 68 -8.130 4.417 -5.684 405 HA CYS 68 HA CYS 68 -9.305 6.957 -5.281 406 HB2 CYS 68 HB2 CYS 68 -8.565 5.847 -3.343 407 HB3 CYS 68 HB3 CYS 68 -6.946 5.577 -3.954 408 H THR 69 H THR 69 -5.855 6.443 -5.413 409 HA THR 69 HA THR 69 -5.484 7.890 -7.859 410 HB THR 69 HB THR 69 -3.635 9.225 -6.749 411 HG1 THR 69 HG3 THR 69 -5.272 8.788 -4.489 412 HG21 THR 69 HG21 THR 69 -5.610 10.373 -7.590 413 HG22 THR 69 HG22 THR 69 -5.115 11.105 -6.063 414 HG23 THR 69 HG23 THR 69 -6.486 9.999 -6.106 415 H VAL 70 H VAL 70 -3.791 6.903 -8.900 416 HA VAL 70 HA VAL 70 -1.871 5.415 -7.239 417 HB VAL 70 HB VAL 70 -3.580 3.876 -8.328 418 HG11 VAL 70 HG11 VAL 70 -2.128 4.677 -10.819 419 HG12 VAL 70 HG12 VAL 70 -3.798 5.073 -10.414 420 HG13 VAL 70 HG13 VAL 70 -3.332 3.382 -10.699 421 HG21 VAL 70 HG21 VAL 70 -1.438 3.052 -7.550 422 HG22 VAL 70 HG22 VAL 70 -0.690 3.504 -9.084 423 HG23 VAL 70 HG23 VAL 70 -1.915 2.237 -9.039 424 H ALA 71 H ALA 71 0.237 5.469 -7.836 425 HA ALA 71 HA ALA 71 0.891 6.609 -10.412 426 HB1 ALA 71 HB1 ALA 71 2.590 8.064 -9.382 427 HB2 ALA 71 HB2 ALA 71 1.957 7.634 -7.771 428 HB3 ALA 71 HB3 ALA 71 0.943 8.497 -8.930 429 H TRP 72 H TRP 72 2.957 5.954 -11.159 430 HA TRP 72 HA TRP 72 3.732 3.461 -9.946 431 HB2 TRP 72 HB2 TRP 72 4.523 4.612 -12.594 432 HB3 TRP 72 HB3 TRP 72 4.640 2.951 -12.086 433 HD1 TRP 72 HD TRP 72 2.714 4.823 -14.417 434 HE1 TRP 72 HE1 TRP 72 0.342 3.843 -14.805 435 HE3 TRP 72 HE3 TRP 72 2.389 1.856 -10.341 436 HZ2 TRP 72 HZ2 TRP 72 -1.421 2.062 -13.535 437 HZ3 TRP 72 HZ3 TRP 72 0.290 0.526 -9.977 438 HH2 TRP 72 HH TRP 72 -1.544 0.652 -11.554 439 H GLY 73 H GLY 73 5.955 3.047 -9.624 440 HA2 GLY 73 HA2 GLY 73 7.560 5.445 -9.230 441 HA3 GLY 73 HA3 GLY 73 7.798 3.874 -8.464 442 H VAL 74 H VAL 74 9.351 5.771 -10.377 443 HA VAL 74 HA VAL 74 9.928 4.326 -12.721 444 HB VAL 74 HB VAL 74 11.771 6.106 -11.110 445 HG11 VAL 74 HG11 VAL 74 11.916 5.306 -14.020 446 HG12 VAL 74 HG12 VAL 74 13.016 4.794 -12.738 447 HG13 VAL 74 HG13 VAL 74 12.964 6.488 -13.232 448 HG21 VAL 74 HG21 VAL 74 9.706 7.243 -11.701 449 HG22 VAL 74 HG22 VAL 74 9.920 6.786 -13.387 450 HG23 VAL 74 HG23 VAL 74 11.055 7.905 -12.622 451 H CYS 75 H CYS 75 10.743 4.003 -9.453 452 HA CYS 75 HA CYS 75 13.061 2.329 -9.663 453 HB2 CYS 75 HB2 CYS 75 12.667 2.212 -7.190 454 HB3 CYS 75 HB3 CYS 75 12.888 3.829 -7.856 455 H ASN 76 H ASN 76 10.419 1.480 -10.890 456 HA ASN 76 HA ASN 76 9.365 -0.475 -11.359 457 HB2 ASN 76 HB2 ASN 76 11.795 -1.251 -11.227 458 HB3 ASN 76 HB3 ASN 76 11.419 -1.814 -9.606 459 HD21 ASN 76 HD21 ASN 76 12.324 -3.445 -11.708 460 HD22 ASN 76 HD22 ASN 76 11.092 -4.588 -12.105 461 H HIS 77 H HIS 77 8.320 1.026 -9.436 462 HA HIS 77 HA HIS 77 7.242 -0.967 -7.626 463 HB2 HIS 77 HB2 HIS 77 8.485 1.618 -6.882 464 HB3 HIS 77 HB3 HIS 77 7.102 1.045 -5.936 465 HD2 HIS 77 HD2 HIS 77 8.090 -2.153 -5.900 466 HE1 HIS 77 HE1 HIS 77 11.381 -0.590 -3.757 467 HE2 HIS 77 HE2 HIS 77 10.051 -2.629 -4.296 468 H ALA 78 H ALA 78 5.097 -0.277 -6.670 469 HA ALA 78 HA ALA 78 3.800 1.832 -8.154 470 HB1 ALA 78 HB1 ALA 78 1.954 0.347 -8.733 471 HB2 ALA 78 HB2 ALA 78 2.816 -1.019 -8.021 472 HB3 ALA 78 HB3 ALA 78 3.457 -0.225 -9.454 473 H PHE 79 H PHE 79 2.533 2.981 -6.779 474 HA PHE 79 HA PHE 79 1.393 1.692 -4.435 475 HB2 PHE 79 HB2 PHE 79 3.116 4.169 -4.303 476 HB3 PHE 79 HB3 PHE 79 2.129 3.571 -2.980 477 HD1 PHE 79 HD2 PHE 79 2.829 1.434 -1.825 478 HD2 PHE 79 HD3 PHE 79 5.188 3.257 -4.848 479 HE1 PHE 79 HE2 PHE 79 4.808 0.066 -1.135 480 HE2 PHE 79 HE1 PHE 79 7.112 1.926 -4.177 481 HZ PHE 79 HZ PHE 79 6.922 0.332 -2.320 482 H HIS 80 H HIS 80 -0.102 3.358 -3.319 483 HA HIS 80 HA HIS 80 -1.671 4.674 -5.315 484 HB2 HIS 80 HB2 HIS 80 -1.698 4.554 -2.327 485 HB3 HIS 80 HB3 HIS 80 -2.725 5.675 -3.184 486 HD2 HIS 80 HD2 HIS 80 -3.632 3.392 -5.526 487 HE1 HIS 80 HE1 HIS 80 -5.317 1.470 -2.160 488 HE2 HIS 80 HE2 HIS 80 -4.817 1.302 -4.547 489 H PHE 81 H PHE 81 -1.579 6.764 -5.861 490 HA PHE 81 HA PHE 81 0.733 8.268 -5.308 491 HB2 PHE 81 HB2 PHE 81 -0.771 8.658 -7.282 492 HB3 PHE 81 HB3 PHE 81 -1.954 9.290 -6.143 493 HD1 PHE 81 HD3 PHE 81 1.482 9.874 -7.415 494 HD2 PHE 81 HD2 PHE 81 -1.959 11.561 -5.567 495 HE1 PHE 81 HE1 PHE 81 2.464 12.110 -7.644 496 HE2 PHE 81 HE2 PHE 81 -0.975 13.802 -5.795 497 HZ PHE 81 HZ PHE 81 1.236 14.079 -6.837 498 H HIS 82 H HIS 82 -2.441 8.306 -3.916 499 HA HIS 82 HA HIS 82 -2.207 10.438 -2.106 500 HB2 HIS 82 HB2 HIS 82 -4.342 9.469 -2.506 501 HB3 HIS 82 HB3 HIS 82 -3.778 7.875 -2.074 502 HD2 HIS 82 HD2 HIS 82 -3.179 10.768 0.464 503 HE1 HIS 82 HE1 HIS 82 -6.272 8.251 1.950 504 HE2 HIS 82 HE2 HIS 82 -5.290 10.435 2.080 505 H CYS 83 H CYS 83 -1.511 6.979 -1.572 506 HA CYS 83 HA CYS 83 -0.700 7.363 1.093 507 HB2 CYS 83 HB2 CYS 83 -0.163 4.979 -0.706 508 HB3 CYS 83 HB3 CYS 83 -0.095 5.100 1.039 509 H ILE 84 H ILE 84 1.042 6.908 -1.982 510 HA ILE 84 HA ILE 84 3.569 6.860 -0.751 511 HB ILE 84 HB ILE 84 3.141 6.031 -3.127 512 HG12 ILE 84 HG12 ILE 84 5.296 6.891 -4.044 513 HG13 ILE 84 HG11 ILE 84 5.372 7.998 -2.686 514 HG21 ILE 84 HG21 ILE 84 1.846 7.949 -3.826 515 HG22 ILE 84 HG22 ILE 84 3.145 7.549 -4.957 516 HG23 ILE 84 HG23 ILE 84 3.308 8.939 -3.855 517 HD11 ILE 84 HD11 ILE 84 5.332 4.999 -2.458 518 HD12 ILE 84 HD31 ILE 84 6.760 6.016 -2.335 519 HD13 ILE 84 HD21 ILE 84 5.494 6.142 -1.122 520 H SER 85 H SER 85 1.576 9.487 -1.895 521 HA SER 85 HA SER 85 3.447 11.559 -1.658 522 HB2 SER 85 HB2 SER 85 0.461 11.643 -1.209 523 HB3 SER 85 HB3 SER 85 1.489 13.072 -1.292 524 HG SER 85 HG SER 85 0.937 11.163 -3.289 525 H ARG 86 H ARG 86 1.269 10.180 0.830 526 HA ARG 86 HA ARG 86 2.148 11.839 2.957 527 HB2 ARG 86 HB2 ARG 86 1.229 8.972 2.963 528 HB3 ARG 86 HB3 ARG 86 1.579 9.842 4.456 529 HG2 ARG 86 HG2 ARG 86 -0.252 11.445 3.728 530 HG3 ARG 86 HG3 ARG 86 -0.623 10.272 2.455 531 HD2 ARG 86 HD2 ARG 86 -0.565 9.679 5.413 532 HD3 ARG 86 HD3 ARG 86 -2.021 9.926 4.453 533 HE ARG 86 HE ARG 86 -0.849 7.932 3.145 534 HH11 ARG 86 HH11 ARG 86 -1.406 8.332 6.655 535 HH12 ARG 86 HH12 ARG 86 -1.567 6.662 6.927 536 HH21 ARG 86 HH21 ARG 86 -1.116 5.608 3.597 537 HH22 ARG 86 HH22 ARG 86 -1.409 5.118 5.198 538 H TRP 87 H TRP 87 3.413 8.824 1.651 539 HA TRP 87 HA TRP 87 5.385 8.282 3.599 540 HB2 TRP 87 HB2 TRP 87 4.620 6.568 2.060 541 HB3 TRP 87 HB3 TRP 87 5.148 7.531 0.685 542 HD1 TRP 87 HD TRP 87 7.519 7.019 -0.206 543 HE1 TRP 87 HE1 TRP 87 9.532 5.738 0.710 544 HE3 TRP 87 HE3 TRP 87 5.775 5.994 4.469 545 HZ2 TRP 87 HZ2 TRP 87 10.306 4.449 3.097 546 HZ3 TRP 87 HZ3 TRP 87 7.222 4.724 6.035 547 HH2 TRP 87 HH TRP 87 9.442 3.966 5.350 548 H LEU 88 H LEU 88 5.475 9.956 0.550 549 HA LEU 88 HA LEU 88 8.251 10.438 0.674 550 HB2 LEU 88 HB2 LEU 88 6.103 11.526 -1.081 551 HB3 LEU 88 HB3 LEU 88 7.805 11.901 -1.294 552 HG LEU 88 HG LEU 88 6.713 9.103 -1.315 553 HD11 LEU 88 HD11 LEU 88 7.329 10.935 -3.612 554 HD12 LEU 88 HD12 LEU 88 5.739 10.336 -3.076 555 HD13 LEU 88 HD13 LEU 88 6.938 9.208 -3.703 556 HD21 LEU 88 HD21 LEU 88 9.094 9.206 -0.776 557 HD22 LEU 88 HD22 LEU 88 9.396 10.245 -2.164 558 HD23 LEU 88 HD23 LEU 88 8.910 8.593 -2.411 559 H LYS 89 H LYS 89 5.554 12.132 1.923 560 HA LYS 89 HA LYS 89 6.809 14.625 2.318 561 HB2 LYS 89 HB2 LYS 89 4.803 13.188 4.061 562 HB3 LYS 89 HB3 LYS 89 5.295 14.849 4.298 563 HG2 LYS 89 HG2 LYS 89 3.894 13.771 1.861 564 HG3 LYS 89 HG3 LYS 89 3.162 14.671 3.197 565 HD2 LYS 89 HD2 LYS 89 4.536 16.578 2.690 566 HD3 LYS 89 HD3 LYS 89 5.307 15.720 1.348 567 HE2 LYS 89 HE2 LYS 89 3.107 15.523 0.255 568 HE3 LYS 89 HE1 LYS 89 2.376 16.409 1.587 569 HZ1 LYS 89 HZ1 LYS 89 4.353 17.426 -0.382 570 HZ2 LYS 89 HZ2 LYS 89 3.930 18.295 0.974 571 HZ3 LYS 89 HZ3 LYS 89 2.768 17.944 -0.195 572 H THR 90 H THR 90 6.764 11.598 4.111 573 HA THR 90 HA THR 90 8.618 12.630 6.065 574 HB THR 90 HB THR 90 8.448 10.378 7.122 575 HG1 THR 90 HG3 THR 90 7.465 9.696 4.697 576 HG21 THR 90 HG21 THR 90 5.823 11.656 6.395 577 HG22 THR 90 HG22 THR 90 6.871 12.180 7.719 578 HG23 THR 90 HG23 THR 90 6.088 10.597 7.774 579 H ARG 91 H ARG 91 8.876 10.747 3.110 580 HA ARG 91 HA ARG 91 11.654 10.047 3.765 581 HB2 ARG 91 HB2 ARG 91 9.596 8.181 2.599 582 HB3 ARG 91 HB3 ARG 91 11.298 7.853 2.782 583 HG2 ARG 91 HG2 ARG 91 9.447 8.435 5.073 584 HG3 ARG 91 HG3 ARG 91 9.879 6.826 4.516 585 HD2 ARG 91 HD2 ARG 91 12.225 7.226 4.945 586 HD3 ARG 91 HD3 ARG 91 11.881 8.886 5.421 587 HE ARG 91 HE ARG 91 10.360 7.485 7.122 588 HH11 ARG 91 HH11 ARG 91 13.766 7.240 6.218 589 HH12 ARG 91 HH12 ARG 91 14.274 6.644 7.730 590 HH21 ARG 91 HH21 ARG 91 11.020 6.674 9.167 591 HH22 ARG 91 HH22 ARG 91 12.648 6.276 9.471 592 H GLN 92 H GLN 92 13.022 9.707 1.998 593 HA GLN 92 HA GLN 92 12.102 10.829 -0.547 594 HB2 GLN 92 HB2 GLN 92 14.834 10.344 0.599 595 HB3 GLN 92 HB3 GLN 92 14.562 10.912 -1.034 596 HG2 GLN 92 HG2 GLN 92 14.917 12.932 -0.014 597 HG3 GLN 92 HG3 GLN 92 13.193 12.774 0.314 598 HE21 GLN 92 HE21 GLN 92 15.328 14.187 1.734 599 HE22 GLN 92 HE22 GLN 92 15.277 13.602 3.364 600 H VAL 93 H VAL 93 12.525 7.877 0.890 601 HA VAL 93 HA VAL 93 13.425 6.589 -1.590 602 HB VAL 93 HB VAL 93 14.531 4.869 -0.117 603 HG11 VAL 93 HG11 VAL 93 15.530 7.719 0.030 604 HG12 VAL 93 HG12 VAL 93 15.834 6.542 -1.262 605 HG13 VAL 93 HG13 VAL 93 16.509 6.278 0.344 606 HG21 VAL 93 HG21 VAL 93 15.077 5.550 2.192 607 HG22 VAL 93 HG22 VAL 93 13.323 5.405 1.951 608 HG23 VAL 93 HG23 VAL 93 14.087 6.994 1.958 609 H CYS 94 H CYS 94 12.783 4.382 -1.875 610 HA CYS 94 HA CYS 94 10.109 3.834 -1.554 611 HB2 CYS 94 HB2 CYS 94 12.297 1.773 -1.792 612 HB3 CYS 94 HB3 CYS 94 10.627 1.634 -2.323 613 HA PRO 95 HA PRO 95 9.964 2.373 2.700 614 HB2 PRO 95 HB2 PRO 95 7.586 1.044 2.525 615 HB3 PRO 95 HB3 PRO 95 7.695 2.802 2.689 616 HG2 PRO 95 HG2 PRO 95 7.244 1.144 0.241 617 HG3 PRO 95 HG3 PRO 95 6.471 2.663 0.717 618 HD2 PRO 95 HD2 PRO 95 8.472 2.541 -1.102 619 HD3 PRO 95 HD3 PRO 95 8.279 3.949 -0.060 620 H LEU 96 H LEU 96 9.500 0.444 -0.075 621 HA LEU 96 HA LEU 96 9.686 -2.104 1.261 622 HB2 LEU 96 HB2 LEU 96 9.844 -1.556 -1.704 623 HB3 LEU 96 HB3 LEU 96 9.528 -3.096 -0.933 624 HG LEU 96 HG LEU 96 7.766 -0.705 -0.920 625 HD11 LEU 96 HD11 LEU 96 7.506 -3.364 -2.325 626 HD12 LEU 96 HD12 LEU 96 7.780 -1.795 -3.076 627 HD13 LEU 96 HD13 LEU 96 6.242 -2.134 -2.274 628 HD21 LEU 96 HD21 LEU 96 7.506 -1.927 1.165 629 HD22 LEU 96 HD22 LEU 96 7.301 -3.436 0.270 630 HD23 LEU 96 HD23 LEU 96 6.080 -2.168 0.152 631 H ASP 97 H ASP 97 11.757 -0.033 -0.620 632 HA ASP 97 HA ASP 97 13.894 -2.025 -0.338 633 HB2 ASP 97 HB2 ASP 97 13.221 -0.376 -2.724 634 HB3 ASP 97 HB3 ASP 97 14.825 -1.047 -2.458 635 H ASN 98 H ASN 98 13.094 1.163 0.358 636 HA ASN 98 HA ASN 98 14.251 3.011 0.971 637 HB2 ASN 98 HB2 ASN 98 16.226 0.888 1.754 638 HB3 ASN 98 HB3 ASN 98 16.546 2.586 2.093 639 HD21 ASN 98 HD21 ASN 98 14.860 -0.252 3.026 640 HD22 ASN 98 HD22 ASN 98 14.053 0.414 4.401 641 H ARG 99 H ARG 99 14.391 2.301 -1.730 642 HA ARG 99 HA ARG 99 17.003 3.317 -2.665 643 HB2 ARG 99 HB2 ARG 99 14.619 2.181 -4.158 644 HB3 ARG 99 HB3 ARG 99 16.111 2.722 -4.907 645 HG2 ARG 99 HG2 ARG 99 17.332 0.951 -3.785 646 HG3 ARG 99 HG3 ARG 99 15.832 0.464 -2.976 647 HD2 ARG 99 HD2 ARG 99 14.815 0.009 -5.185 648 HD3 ARG 99 HD3 ARG 99 16.334 0.433 -5.962 649 HE ARG 99 HE ARG 99 16.936 -1.562 -4.163 650 HH11 ARG 99 HH11 ARG 99 14.874 -1.256 -7.043 651 HH12 ARG 99 HH12 ARG 99 14.907 -2.911 -7.422 652 HH21 ARG 99 HH21 ARG 99 16.975 -3.833 -4.697 653 HH22 ARG 99 HH22 ARG 99 16.119 -4.416 -6.049 654 H GLU 100 H GLU 100 16.837 5.214 -4.198 655 HA GLU 100 HA GLU 100 15.086 7.185 -3.191 656 HB2 GLU 100 HB2 GLU 100 17.187 7.763 -4.336 657 HB3 GLU 100 HB3 GLU 100 16.537 7.132 -5.843 658 HG2 GLU 100 HG2 GLU 100 14.802 8.852 -5.819 659 HG3 GLU 100 HG3 GLU 100 15.439 9.478 -4.305 660 H TRP 101 H TRP 101 12.934 7.484 -3.514 661 HA TRP 101 HA TRP 101 11.666 6.006 -5.593 662 HB2 TRP 101 HB2 TRP 101 10.380 6.105 -3.575 663 HB3 TRP 101 HB3 TRP 101 10.636 7.807 -3.378 664 HD1 TRP 101 HD TRP 101 9.179 9.449 -4.943 665 HE1 TRP 101 HE1 TRP 101 6.958 9.098 -6.188 666 HE3 TRP 101 HE3 TRP 101 9.003 4.407 -4.760 667 HZ2 TRP 101 HZ2 TRP 101 5.342 6.963 -6.982 668 HZ3 TRP 101 HZ3 TRP 101 7.065 3.241 -5.794 669 HH2 TRP 101 HH TRP 101 5.273 4.504 -6.875 670 H GLU 102 H GLU 102 11.389 6.810 -7.583 671 HA GLU 102 HA GLU 102 10.973 9.690 -7.807 672 HB2 GLU 102 HB2 GLU 102 12.305 7.885 -9.827 673 HB3 GLU 102 HB3 GLU 102 11.750 9.509 -10.202 674 HG2 GLU 102 HG2 GLU 102 13.258 10.359 -8.419 675 HG3 GLU 102 HG3 GLU 102 13.882 8.720 -8.236 676 H PHE 103 H PHE 103 9.287 10.387 -8.966 677 HA PHE 103 HA PHE 103 7.086 8.573 -9.128 678 HB2 PHE 103 HB2 PHE 103 7.412 11.461 -9.913 679 HB3 PHE 103 HB3 PHE 103 5.928 10.588 -10.186 680 HD1 PHE 103 HD2 PHE 103 4.605 9.827 -8.279 681 HD2 PHE 103 HD3 PHE 103 8.024 12.265 -7.836 682 HE1 PHE 103 HE2 PHE 103 3.828 10.466 -6.022 683 HE2 PHE 103 HE1 PHE 103 7.277 12.928 -5.564 684 HZ PHE 103 HZ PHE 103 5.170 12.022 -4.666 685 H GLN 104 H GLN 104 6.524 7.367 -10.811 686 HA GLN 104 HA GLN 104 7.291 8.235 -13.480 687 HB2 GLN 104 HB2 GLN 104 7.737 5.797 -12.750 688 HB3 GLN 104 HB3 GLN 104 6.042 5.679 -12.516 689 HG2 GLN 104 HG2 GLN 104 5.560 6.038 -14.839 690 HG3 GLN 104 HG3 GLN 104 7.275 6.290 -15.182 691 HE21 GLN 104 HE21 GLN 104 8.633 4.551 -15.231 692 HE22 GLN 104 HE22 GLN 104 8.092 2.917 -15.265 693 H LYS 105 H LYS 105 5.745 9.604 -14.215 694 HA LYS 105 HA LYS 105 3.368 9.955 -12.848 695 HB2 LYS 105 HB2 LYS 105 2.703 11.526 -14.614 696 HB3 LYS 105 HB3 LYS 105 4.322 11.803 -13.998 697 HG2 LYS 105 HG2 LYS 105 5.218 10.658 -15.997 698 HG3 LYS 105 HG3 LYS 105 3.567 10.530 -16.619 699 HD2 LYS 105 HD2 LYS 105 3.335 12.949 -16.554 700 HD3 LYS 105 HD3 LYS 105 4.959 13.101 -15.883 701 HE2 LYS 105 HE2 LYS 105 5.076 13.576 -18.212 702 HE3 LYS 105 HE1 LYS 105 5.818 12.000 -17.906 703 HZ1 LYS 105 HZ1 LYS 105 3.829 10.909 -18.735 704 HZ2 LYS 105 HZ2 LYS 105 4.374 12.035 -19.883 705 HZ3 LYS 105 HZ3 LYS 105 3.060 12.413 -18.899 706 H TYR 106 H TYR 106 1.343 9.458 -13.086 707 HA TYR 106 HA TYR 106 0.813 6.921 -14.118 708 HB2 TYR 106 HB2 TYR 106 -1.585 7.455 -13.407 709 HB3 TYR 106 HB3 TYR 106 -0.343 7.515 -12.185 710 HD1 TYR 106 HD2 TYR 106 -2.614 9.582 -14.238 711 HD2 TYR 106 HD3 TYR 106 0.224 9.564 -11.065 712 HE1 TYR 106 HE2 TYR 106 -3.310 11.858 -13.604 713 HE2 TYR 106 HE1 TYR 106 -0.465 11.833 -10.425 714 HH TYR 106 HH TYR 106 -1.513 13.749 -11.354 715 H GLY 107 H GLY 107 0.007 6.184 -15.942 716 HA2 GLY 107 HA2 GLY 107 -1.172 6.308 -17.972 717 HA3 GLY 107 HA3 GLY 107 -1.105 8.066 -17.877 718 H HIS 108 H HIS 108 -0.402 6.951 -20.262 719 HA HIS 108 HA HIS 108 2.501 6.866 -20.163 720 HB2 HIS 108 HB2 HIS 108 2.171 6.112 -22.667 721 HB3 HIS 108 HB3 HIS 108 1.929 4.968 -21.352 722 HD2 HIS 108 HD2 HIS 108 -0.408 3.649 -21.553 723 HE1 HIS 108 HE1 HIS 108 -2.494 6.532 -23.837 724 HE2 HIS 108 HE2 HIS 108 -2.671 4.582 -22.283 Start of MODEL 9 1 H1 GLY 9 H GLY 9 -19.904 57.536 1.388 2 HA2 GLY 9 HA2 GLY 9 -21.545 55.229 2.187 3 HA3 GLY 9 HA3 GLY 9 -21.114 55.569 0.506 4 H GLY 10 H GLY 10 -20.410 53.556 2.867 5 HA2 GLY 10 HA2 GLY 10 -17.590 53.366 2.004 6 HA3 GLY 10 HA3 GLY 10 -18.129 52.936 3.625 7 H GLY 11 H GLY 11 -20.654 51.894 2.174 8 HA2 GLY 11 HA2 GLY 11 -21.405 49.888 1.401 9 HA3 GLY 11 HA3 GLY 11 -19.793 49.594 0.740 10 H GLY 12 H GLY 12 -18.926 47.843 1.533 11 HA2 GLY 12 HA2 GLY 12 -18.040 47.320 3.959 12 HA3 GLY 12 HA3 GLY 12 -19.734 46.904 4.176 13 H THR 13 H THR 13 -16.779 46.134 2.452 14 HA THR 13 HA THR 13 -17.623 43.375 2.485 15 HB THR 13 HB THR 13 -18.341 43.957 0.260 16 HG1 THR 13 HG3 THR 13 -17.520 42.041 0.044 17 HG21 THR 13 HG21 THR 13 -15.540 44.983 -0.238 18 HG22 THR 13 HG22 THR 13 -16.952 45.999 -0.007 19 HG23 THR 13 HG23 THR 13 -16.851 44.937 -1.421 20 H ASN 14 H ASN 14 -16.070 42.102 3.145 21 HA ASN 14 HA ASN 14 -13.331 42.563 2.440 22 HB2 ASN 14 HB2 ASN 14 -12.451 42.634 4.698 23 HB3 ASN 14 HB3 ASN 14 -13.602 43.947 4.517 24 HD21 ASN 14 HD21 ASN 14 -15.520 43.872 5.684 25 HD22 ASN 14 HD22 ASN 14 -15.779 42.769 6.996 26 H SER 15 H SER 15 -11.994 40.703 3.462 27 HA SER 15 HA SER 15 -13.681 38.306 3.406 28 HB2 SER 15 HB2 SER 15 -11.968 38.472 1.622 29 HB3 SER 15 HB3 SER 15 -10.711 38.568 2.860 30 HG SER 15 HG SER 15 -12.498 36.420 2.371 31 H GLY 16 H GLY 16 -14.099 37.599 5.376 32 HA2 GLY 16 HA2 GLY 16 -11.883 37.283 7.236 33 HA3 GLY 16 HA3 GLY 16 -13.212 38.303 7.770 34 H ALA 17 H ALA 17 -12.156 35.072 7.108 35 HA ALA 17 HA ALA 17 -14.500 34.132 8.572 36 HB1 ALA 17 HB1 ALA 17 -14.810 33.587 6.186 37 HB2 ALA 17 HB2 ALA 17 -14.581 32.137 7.167 38 HB3 ALA 17 HB3 ALA 17 -13.251 32.760 6.189 39 H GLY 18 H GLY 18 -13.979 32.855 10.222 40 HA2 GLY 18 HA2 GLY 18 -11.143 32.317 10.642 41 HA3 GLY 18 HA3 GLY 18 -12.435 32.097 11.824 42 H LYS 19 H LYS 19 -10.731 30.696 9.139 43 HA LYS 19 HA LYS 19 -12.052 28.145 9.713 44 HB2 LYS 19 HB2 LYS 19 -12.317 28.868 7.386 45 HB3 LYS 19 HB3 LYS 19 -10.572 29.013 7.221 46 HG2 LYS 19 HG2 LYS 19 -10.331 26.595 7.608 47 HG3 LYS 19 HG3 LYS 19 -12.082 26.459 7.740 48 HD2 LYS 19 HD2 LYS 19 -10.709 27.538 5.283 49 HD3 LYS 19 HD3 LYS 19 -11.093 25.831 5.498 50 HE2 LYS 19 HE2 LYS 19 -13.460 26.387 5.724 51 HE3 LYS 19 HE1 LYS 19 -13.081 28.097 5.543 52 HZ1 LYS 19 HZ1 LYS 19 -12.485 26.063 3.452 53 HZ2 LYS 19 HZ2 LYS 19 -12.371 27.738 3.315 54 HZ3 LYS 19 HZ3 LYS 19 -13.880 27.020 3.483 55 H LYS 20 H LYS 20 -10.893 26.736 10.796 56 HA LYS 20 HA LYS 20 -7.985 27.022 10.807 57 HB2 LYS 20 HB2 LYS 20 -9.081 27.044 13.039 58 HB3 LYS 20 HB3 LYS 20 -9.756 25.459 12.713 59 HG2 LYS 20 HG2 LYS 20 -7.517 24.507 12.596 60 HG3 LYS 20 HG3 LYS 20 -6.816 26.098 12.866 61 HD2 LYS 20 HD2 LYS 20 -8.650 24.714 14.819 62 HD3 LYS 20 HD3 LYS 20 -6.885 24.624 14.891 63 HE2 LYS 20 HE2 LYS 20 -6.886 27.138 14.992 64 HE3 LYS 20 HE1 LYS 20 -8.633 27.054 15.186 65 HZ1 LYS 20 HZ1 LYS 20 -6.585 25.967 17.031 66 HZ2 LYS 20 HZ2 LYS 20 -8.190 25.579 17.160 67 HZ3 LYS 20 HZ3 LYS 20 -7.697 27.194 17.353 68 H ARG 21 H ARG 21 -6.673 25.229 10.410 69 HA ARG 21 HA ARG 21 -7.698 23.420 8.459 70 HB2 ARG 21 HB2 ARG 21 -5.394 24.340 8.464 71 HB3 ARG 21 HB3 ARG 21 -5.056 23.459 9.936 72 HG2 ARG 21 HG2 ARG 21 -5.352 21.340 8.720 73 HG3 ARG 21 HG3 ARG 21 -5.670 22.267 7.247 74 HD2 ARG 21 HD2 ARG 21 -3.449 23.338 7.487 75 HD3 ARG 21 HD3 ARG 21 -3.135 22.294 8.869 76 HE ARG 21 HE ARG 21 -3.860 20.804 6.572 77 HH11 ARG 21 HH11 ARG 21 -1.103 22.474 8.102 78 HH12 ARG 21 HH12 ARG 21 0.057 21.592 7.242 79 HH21 ARG 21 HH21 ARG 21 -2.250 19.628 5.381 80 HH22 ARG 21 HH22 ARG 21 -0.600 19.905 5.658 81 H PHE 22 H PHE 22 -9.326 22.248 9.491 82 HA PHE 22 HA PHE 22 -9.100 20.958 11.979 83 HB2 PHE 22 HB2 PHE 22 -11.265 21.474 10.992 84 HB3 PHE 22 HB3 PHE 22 -10.960 20.350 9.676 85 HD1 PHE 22 HD3 PHE 22 -11.332 20.524 13.372 86 HD2 PHE 22 HD2 PHE 22 -11.613 18.120 9.879 87 HE1 PHE 22 HE1 PHE 22 -12.345 18.728 14.698 88 HE2 PHE 22 HE2 PHE 22 -12.636 16.317 11.191 89 HZ PHE 22 HZ PHE 22 -13.004 16.611 13.607 90 H GLU 23 H GLU 23 -8.668 19.735 8.693 91 HA GLU 23 HA GLU 23 -8.089 17.075 9.524 92 HB2 GLU 23 HB2 GLU 23 -7.514 18.511 6.937 93 HB3 GLU 23 HB3 GLU 23 -7.021 16.855 7.208 94 HG2 GLU 23 HG2 GLU 23 -9.029 16.752 5.989 95 HG3 GLU 23 HG3 GLU 23 -9.466 16.344 7.640 96 H VAL 24 H VAL 24 -6.216 16.108 10.057 97 HA VAL 24 HA VAL 24 -3.864 17.864 10.246 98 HB VAL 24 HB VAL 24 -4.807 15.728 12.182 99 HG11 VAL 24 HG11 VAL 24 -2.276 17.361 12.280 100 HG12 VAL 24 HG12 VAL 24 -2.396 15.622 12.007 101 HG13 VAL 24 HG13 VAL 24 -2.866 16.303 13.565 102 HG21 VAL 24 HG21 VAL 24 -6.015 17.816 12.426 103 HG22 VAL 24 HG22 VAL 24 -4.495 18.701 12.519 104 HG23 VAL 24 HG23 VAL 24 -4.940 17.576 13.802 105 H LYS 25 H LYS 25 -2.097 17.102 9.275 106 HA LYS 25 HA LYS 25 -2.048 14.243 8.595 107 HB2 LYS 25 HB2 LYS 25 -0.742 16.559 7.151 108 HB3 LYS 25 HB3 LYS 25 -0.442 14.857 6.813 109 HG2 LYS 25 HG2 LYS 25 -2.760 14.529 6.207 110 HG3 LYS 25 HG3 LYS 25 -3.110 16.214 6.586 111 HD2 LYS 25 HD2 LYS 25 -1.634 16.954 4.824 112 HD3 LYS 25 HD3 LYS 25 -1.151 15.292 4.481 113 HE2 LYS 25 HE2 LYS 25 -2.802 16.045 2.864 114 HE3 LYS 25 HE1 LYS 25 -3.450 14.751 3.869 115 HZ1 LYS 25 HZ1 LYS 25 -4.000 17.656 4.266 116 HZ2 LYS 25 HZ2 LYS 25 -4.704 16.368 5.145 117 HZ3 LYS 25 HZ3 LYS 25 -5.010 16.545 3.506 118 H LYS 26 H LYS 26 -0.677 13.054 9.602 119 HA LYS 26 HA LYS 26 1.873 14.098 10.528 120 HB2 LYS 26 HB2 LYS 26 0.310 14.475 12.387 121 HB3 LYS 26 HB3 LYS 26 -0.261 12.827 12.269 122 HG2 LYS 26 HG2 LYS 26 1.182 12.947 14.141 123 HG3 LYS 26 HG3 LYS 26 2.049 12.079 12.871 124 HD2 LYS 26 HD2 LYS 26 3.285 14.099 12.311 125 HD3 LYS 26 HD3 LYS 26 2.382 15.003 13.529 126 HE2 LYS 26 HE2 LYS 26 3.288 13.512 15.271 127 HE3 LYS 26 HE1 LYS 26 4.197 12.656 14.032 128 HZ1 LYS 26 HZ1 LYS 26 4.499 15.530 14.658 129 HZ2 LYS 26 HZ2 LYS 26 5.466 14.629 13.580 130 HZ3 LYS 26 HZ3 LYS 26 5.530 14.324 15.237 131 H SER 27 H SER 27 3.392 12.344 10.720 132 HA SER 27 HA SER 27 2.748 9.901 9.403 133 HB2 SER 27 HB2 SER 27 5.132 10.540 11.168 134 HB3 SER 27 HB3 SER 27 5.015 9.234 9.992 135 HG SER 27 HG SER 27 6.037 10.785 8.943 136 H ASN 28 H ASN 28 0.844 9.575 10.786 137 HA ASN 28 HA ASN 28 1.015 8.877 13.515 138 HB2 ASN 28 HB2 ASN 28 -1.095 8.270 11.440 139 HB3 ASN 28 HB3 ASN 28 -1.256 7.810 13.124 140 HD21 ASN 28 HD21 ASN 28 -3.009 9.556 11.691 141 HD22 ASN 28 HD22 ASN 28 -2.895 11.103 12.425 142 H ALA 29 H ALA 29 1.079 6.972 10.546 143 HA ALA 29 HA ALA 29 2.470 4.846 11.879 144 HB1 ALA 29 HB1 ALA 29 0.833 3.081 11.360 145 HB2 ALA 29 HB2 ALA 29 -0.314 4.324 10.838 146 HB3 ALA 29 HB3 ALA 29 0.210 4.252 12.524 147 H SER 30 H SER 30 4.070 4.874 10.408 148 HA SER 30 HA SER 30 3.712 4.921 7.606 149 HB2 SER 30 HB2 SER 30 6.028 3.788 9.183 150 HB3 SER 30 HB3 SER 30 6.060 4.282 7.485 151 HG SER 30 HG SER 30 5.136 6.354 8.767 152 H ALA 31 H ALA 31 3.958 2.332 9.969 153 HA ALA 31 HA ALA 31 3.234 0.198 9.992 154 HB1 ALA 31 HB1 ALA 31 1.835 0.782 7.387 155 HB2 ALA 31 HB2 ALA 31 1.187 1.182 8.979 156 HB3 ALA 31 HB3 ALA 31 1.458 -0.505 8.535 157 H GLN 32 H GLN 32 5.784 0.797 8.774 158 HA GLN 32 HA GLN 32 6.001 -0.950 6.485 159 HB2 GLN 32 HB2 GLN 32 7.399 1.112 6.726 160 HB3 GLN 32 HB3 GLN 32 8.198 0.359 8.098 161 HG2 GLN 32 HG2 GLN 32 8.979 -1.446 6.619 162 HG3 GLN 32 HG3 GLN 32 8.258 -0.602 5.246 163 HE21 GLN 32 HE21 GLN 32 10.824 -0.698 7.524 164 HE22 GLN 32 HE22 GLN 32 11.807 0.535 6.821 165 H SER 33 H SER 33 5.353 -2.940 7.302 166 HA SER 33 HA SER 33 7.511 -4.404 8.618 167 HB2 SER 33 HB2 SER 33 4.690 -4.520 9.726 168 HB3 SER 33 HB3 SER 33 6.084 -5.418 10.303 169 HG SER 33 HG SER 33 6.883 -2.992 10.368 170 H ALA 34 H ALA 34 7.684 -5.376 6.536 171 HA ALA 34 HA ALA 34 5.865 -7.598 6.213 172 HB1 ALA 34 HB1 ALA 34 4.847 -5.801 4.837 173 HB2 ALA 34 HB2 ALA 34 5.403 -7.162 3.874 174 HB3 ALA 34 HB3 ALA 34 6.361 -5.676 3.933 175 H TRP 35 H TRP 35 6.912 -9.347 5.460 176 HA TRP 35 HA TRP 35 9.761 -9.270 5.353 177 HB2 TRP 35 HB2 TRP 35 7.826 -11.455 4.575 178 HB3 TRP 35 HB3 TRP 35 9.576 -11.665 4.691 179 HD1 TRP 35 HD TRP 35 6.488 -11.961 6.692 180 HE1 TRP 35 HE1 TRP 35 7.023 -12.339 9.156 181 HE3 TRP 35 HE3 TRP 35 11.466 -10.781 6.599 182 HZ2 TRP 35 HZ2 TRP 35 9.284 -12.160 10.869 183 HZ3 TRP 35 HZ3 TRP 35 12.733 -10.907 8.702 184 HH2 TRP 35 HH TRP 35 11.664 -11.580 10.789 185 H ASP 36 H ASP 36 7.260 -9.917 2.943 186 HA ASP 36 HA ASP 36 8.527 -8.361 0.965 187 HB2 ASP 36 HB2 ASP 36 9.018 -10.058 -0.687 188 HB3 ASP 36 HB3 ASP 36 9.843 -10.539 0.790 189 H ILE 37 H ILE 37 7.089 -8.028 -0.799 190 HA ILE 37 HA ILE 37 4.393 -9.118 -0.376 191 HB ILE 37 HB ILE 37 3.415 -6.931 -0.848 192 HG12 ILE 37 HG12 ILE 37 6.219 -5.827 -0.617 193 HG13 ILE 37 HG11 ILE 37 5.376 -6.060 -2.140 194 HG21 ILE 37 HG21 ILE 37 5.324 -6.854 1.484 195 HG22 ILE 37 HG22 ILE 37 3.724 -7.593 1.474 196 HG23 ILE 37 HG23 ILE 37 3.887 -5.844 1.292 197 HD11 ILE 37 HD11 ILE 37 5.276 -3.757 -1.437 198 HD12 ILE 37 HD31 ILE 37 3.663 -4.488 -1.408 199 HD13 ILE 37 HD21 ILE 37 4.549 -4.263 0.105 200 H VAL 38 H VAL 38 3.023 -8.905 -2.241 201 HA VAL 38 HA VAL 38 4.391 -8.832 -4.790 202 HB VAL 38 HB VAL 38 1.418 -8.971 -4.130 203 HG11 VAL 38 HG11 VAL 38 1.751 -8.028 -6.346 204 HG12 VAL 38 HG12 VAL 38 1.090 -9.652 -6.450 205 HG13 VAL 38 HG13 VAL 38 2.806 -9.374 -6.777 206 HG21 VAL 38 HG21 VAL 38 2.562 -10.955 -3.365 207 HG22 VAL 38 HG22 VAL 38 3.343 -11.136 -4.946 208 HG23 VAL 38 HG23 VAL 38 1.606 -11.339 -4.800 209 H VAL 39 H VAL 39 4.490 -7.072 -6.091 210 HA VAL 39 HA VAL 39 4.229 -4.564 -4.780 211 HB VAL 39 HB VAL 39 4.980 -5.043 -7.687 212 HG11 VAL 39 HG11 VAL 39 5.743 -2.779 -5.833 213 HG12 VAL 39 HG12 VAL 39 4.518 -2.682 -7.090 214 HG13 VAL 39 HG13 VAL 39 6.202 -2.944 -7.528 215 HG21 VAL 39 HG21 VAL 39 6.351 -6.416 -6.190 216 HG22 VAL 39 HG22 VAL 39 6.773 -4.980 -5.262 217 HG23 VAL 39 HG23 VAL 39 7.307 -5.135 -6.930 218 H ASP 40 H ASP 40 1.917 -6.294 -6.167 219 HA ASP 40 HA ASP 40 0.464 -4.119 -7.430 220 HB2 ASP 40 HB2 ASP 40 -0.414 -6.968 -6.921 221 HB3 ASP 40 HB3 ASP 40 -1.358 -5.699 -7.729 222 H ASN 41 H ASN 41 1.013 -4.979 -4.310 223 HA ASN 41 HA ASN 41 -1.560 -3.804 -3.523 224 HB2 ASN 41 HB2 ASN 41 0.323 -5.520 -1.908 225 HB3 ASN 41 HB3 ASN 41 -1.012 -4.627 -1.197 226 HD21 ASN 41 HD21 ASN 41 -2.048 -6.472 -0.450 227 HD22 ASN 41 HD22 ASN 41 -2.808 -7.587 -1.526 228 H CYS 42 H CYS 42 -1.578 -1.897 -2.542 229 HA CYS 42 HA CYS 42 0.840 -0.355 -2.267 230 HB2 CYS 42 HB2 CYS 42 -1.516 0.552 -2.760 231 HB3 CYS 42 HB3 CYS 42 -1.898 0.201 -1.112 232 H ALA 43 H ALA 43 2.161 -0.850 -0.613 233 HA ALA 43 HA ALA 43 1.140 -2.367 1.646 234 HB1 ALA 43 HB1 ALA 43 3.451 -2.509 2.380 235 HB2 ALA 43 HB2 ALA 43 3.925 -1.337 1.143 236 HB3 ALA 43 HB3 ALA 43 3.287 -2.926 0.671 237 H ILE 44 H ILE 44 1.441 0.851 0.906 238 HA ILE 44 HA ILE 44 2.276 1.863 3.416 239 HB ILE 44 HB ILE 44 0.792 3.260 1.169 240 HG12 ILE 44 HG12 ILE 44 3.761 2.899 1.715 241 HG13 ILE 44 HG11 ILE 44 2.832 2.191 0.453 242 HG21 ILE 44 HG21 ILE 44 2.459 4.353 3.450 243 HG22 ILE 44 HG22 ILE 44 0.700 4.479 3.299 244 HG23 ILE 44 HG23 ILE 44 1.747 5.308 2.143 245 HD11 ILE 44 HD11 ILE 44 3.281 5.133 0.731 246 HD12 ILE 44 HD31 ILE 44 4.114 4.071 -0.402 247 HD13 ILE 44 HD21 ILE 44 2.374 4.344 -0.554 248 H CYS 45 H CYS 45 -0.832 1.374 1.841 249 HA CYS 45 HA CYS 45 -2.196 2.001 4.370 250 HB2 CYS 45 HB2 CYS 45 -4.208 2.231 2.922 251 HB3 CYS 45 HB3 CYS 45 -2.905 3.329 2.476 252 H ARG 46 H ARG 46 -1.464 -0.404 2.011 253 HA ARG 46 HA ARG 46 -1.674 -2.515 1.821 254 HB2 ARG 46 HB2 ARG 46 -2.799 -2.381 4.574 255 HB3 ARG 46 HB3 ARG 46 -2.711 -3.936 3.707 256 HG2 ARG 46 HG2 ARG 46 -0.283 -3.562 3.442 257 HG3 ARG 46 HG3 ARG 46 -0.427 -2.078 4.373 258 HD2 ARG 46 HD2 ARG 46 -1.181 -3.358 6.304 259 HD3 ARG 46 HD3 ARG 46 -1.032 -4.854 5.371 260 HE ARG 46 HE ARG 46 1.341 -3.259 5.420 261 HH11 ARG 46 HH11 ARG 46 -0.409 -5.822 7.159 262 HH12 ARG 46 HH12 ARG 46 1.023 -6.380 7.932 263 HH21 ARG 46 HH21 ARG 46 3.138 -4.023 6.438 264 HH22 ARG 46 HH22 ARG 46 3.114 -5.364 7.515 265 H ASN 47 H ASN 47 -3.208 -0.921 0.546 266 HA ASN 47 HA ASN 47 -5.660 -2.458 0.194 267 HB2 ASN 47 HB2 ASN 47 -4.980 0.427 -0.190 268 HB3 ASN 47 HB3 ASN 47 -6.293 -0.304 -1.087 269 HD21 ASN 47 HD21 ASN 47 -5.167 0.679 2.036 270 HD22 ASN 47 HD22 ASN 47 -6.679 0.513 2.876 271 H HIS 48 H HIS 48 -6.286 -2.382 -2.214 272 HA HIS 48 HA HIS 48 -4.041 -3.620 -3.495 273 HB2 HIS 48 HB2 HIS 48 -6.577 -4.225 -3.627 274 HB3 HIS 48 HB3 HIS 48 -6.613 -3.073 -4.959 275 HD2 HIS 48 HD2 HIS 48 -4.570 -3.830 -6.935 276 HE1 HIS 48 HE1 HIS 48 -5.030 -7.954 -6.065 277 HE2 HIS 48 HE2 HIS 48 -4.245 -6.301 -7.769 278 H ILE 49 H ILE 49 -3.109 -3.063 -5.513 279 HA ILE 49 HA ILE 49 -1.950 -0.664 -5.601 280 HB ILE 49 HB ILE 49 -1.056 -2.410 -6.956 281 HG12 ILE 49 HG12 ILE 49 -0.624 -1.219 -9.092 282 HG13 ILE 49 HG11 ILE 49 -1.936 -0.143 -8.708 283 HG21 ILE 49 HG21 ILE 49 -2.090 -3.033 -9.148 284 HG22 ILE 49 HG22 ILE 49 -3.588 -2.278 -8.591 285 HG23 ILE 49 HG23 ILE 49 -2.884 -3.643 -7.711 286 HD11 ILE 49 HD11 ILE 49 -0.881 0.645 -6.784 287 HD12 ILE 49 HD31 ILE 49 0.464 -0.483 -6.965 288 HD13 ILE 49 HD21 ILE 49 0.219 0.850 -8.147 289 H MET 50 H MET 50 -4.794 -1.340 -7.649 290 HA MET 50 HA MET 50 -4.971 1.535 -7.898 291 HB2 MET 50 HB2 MET 50 -4.140 0.771 -9.915 292 HB3 MET 50 HB3 MET 50 -5.231 -0.573 -10.050 293 HG2 MET 50 HG2 MET 50 -7.084 1.118 -10.387 294 HG3 MET 50 HG3 MET 50 -5.835 2.363 -10.316 295 HE1 MET 50 HE1 MET 50 -6.778 3.269 -12.645 296 HE2 MET 50 HE2 MET 50 -7.942 1.947 -12.748 297 HE3 MET 50 HE3 MET 50 -6.874 2.287 -14.104 298 H ASP 51 H ASP 51 -6.421 1.671 -6.261 299 HA ASP 51 HA ASP 51 -9.142 1.220 -6.716 300 HB2 ASP 51 HB2 ASP 51 -8.408 -1.154 -6.246 301 HB3 ASP 51 HB3 ASP 51 -7.850 -0.633 -4.662 302 H LEU 52 H LEU 52 -10.047 1.273 -4.111 303 HA LEU 52 HA LEU 52 -9.339 3.905 -3.276 304 HB2 LEU 52 HB2 LEU 52 -11.215 1.813 -2.287 305 HB3 LEU 52 HB3 LEU 52 -11.079 3.394 -1.531 306 HG LEU 52 HG LEU 52 -11.825 2.999 -4.437 307 HD11 LEU 52 HD11 LEU 52 -13.838 3.886 -2.449 308 HD12 LEU 52 HD12 LEU 52 -13.401 2.188 -2.431 309 HD13 LEU 52 HD13 LEU 52 -14.042 2.910 -3.908 310 HD21 LEU 52 HD21 LEU 52 -10.900 5.176 -4.012 311 HD22 LEU 52 HD22 LEU 52 -11.858 5.326 -2.544 312 HD23 LEU 52 HD23 LEU 52 -12.664 5.351 -4.110 313 H CYS 53 H CYS 53 -8.461 4.543 -1.329 314 HA CYS 53 HA CYS 53 -6.560 2.736 -0.082 315 HB2 CYS 53 HB2 CYS 53 -7.173 5.624 0.617 316 HB3 CYS 53 HB3 CYS 53 -5.772 4.699 1.112 317 H ILE 54 H ILE 54 -6.449 3.649 2.491 318 HA ILE 54 HA ILE 54 -7.993 1.972 3.970 319 HB ILE 54 HB ILE 54 -7.544 3.656 5.889 320 HG12 ILE 54 HG12 ILE 54 -5.783 4.842 3.714 321 HG13 ILE 54 HG11 ILE 54 -7.084 5.658 4.475 322 HG21 ILE 54 HG21 ILE 54 -5.443 2.211 4.364 323 HG22 ILE 54 HG22 ILE 54 -6.367 1.684 5.794 324 HG23 ILE 54 HG23 ILE 54 -5.171 2.992 5.926 325 HD11 ILE 54 HD11 ILE 54 -5.080 6.435 5.396 326 HD12 ILE 54 HD31 ILE 54 -5.972 5.526 6.627 327 HD13 ILE 54 HD21 ILE 54 -4.581 4.780 5.814 328 H GLU 55 H GLU 55 -8.532 5.435 4.197 329 HA GLU 55 HA GLU 55 -11.235 5.006 5.165 330 HB2 GLU 55 HB2 GLU 55 -9.728 7.539 4.618 331 HB3 GLU 55 HB3 GLU 55 -11.182 7.392 5.558 332 HG2 GLU 55 HG2 GLU 55 -9.940 5.937 7.227 333 HG3 GLU 55 HG3 GLU 55 -8.528 6.202 6.261 334 H CYS 56 H CYS 56 -9.503 5.750 2.376 335 HA CYS 56 HA CYS 56 -11.279 7.416 0.997 336 HB2 CYS 56 HB2 CYS 56 -9.299 5.421 -0.042 337 HB3 CYS 56 HB3 CYS 56 -10.106 6.627 -1.036 338 H GLN 57 H GLN 57 -11.180 3.846 1.125 339 HA GLN 57 HA GLN 57 -13.162 3.563 -0.784 340 HB2 GLN 57 HB2 GLN 57 -13.558 1.285 0.262 341 HB3 GLN 57 HB3 GLN 57 -11.954 1.639 -0.376 342 HG2 GLN 57 HG2 GLN 57 -11.475 0.582 1.553 343 HG3 GLN 57 HG3 GLN 57 -11.394 2.253 2.039 344 HE21 GLN 57 HE21 GLN 57 -11.809 1.859 4.162 345 HE22 GLN 57 HE22 GLN 57 -13.348 1.348 4.768 346 H ALA 58 H ALA 58 -13.475 3.926 2.660 347 HA ALA 58 HA ALA 58 -16.342 3.805 2.681 348 HB1 ALA 58 HB1 ALA 58 -16.119 4.793 4.949 349 HB2 ALA 58 HB2 ALA 58 -14.397 5.011 4.653 350 HB3 ALA 58 HB3 ALA 58 -15.078 3.389 4.717 351 H ASN 59 H ASN 59 -13.939 6.280 2.320 352 HA ASN 59 HA ASN 59 -15.435 8.636 2.760 353 HB2 ASN 59 HB2 ASN 59 -12.898 8.198 2.668 354 HB3 ASN 59 HB3 ASN 59 -13.103 8.265 0.927 355 HD21 ASN 59 HD21 ASN 59 -12.961 9.978 3.842 356 HD22 ASN 59 HD22 ASN 59 -12.921 11.568 3.183 357 H GLN 60 H GLN 60 -14.338 6.884 -0.066 358 HA GLN 60 HA GLN 60 -14.660 6.966 -2.212 359 HB2 GLN 60 HB2 GLN 60 -16.794 6.201 -2.889 360 HB3 GLN 60 HB3 GLN 60 -16.436 5.558 -1.335 361 HG2 GLN 60 HG2 GLN 60 -17.916 7.209 -0.264 362 HG3 GLN 60 HG3 GLN 60 -18.347 7.830 -1.853 363 HE21 GLN 60 HE21 GLN 60 -20.046 6.603 0.182 364 HE22 GLN 60 HE22 GLN 60 -20.793 5.242 -0.582 365 H ALA 61 H ALA 61 -14.363 9.589 -1.100 366 HA ALA 61 HA ALA 61 -15.542 11.146 -3.294 367 HB1 ALA 61 HB1 ALA 61 -15.813 13.022 -1.773 368 HB2 ALA 61 HB2 ALA 61 -15.130 12.039 -0.463 369 HB3 ALA 61 HB3 ALA 61 -16.689 11.606 -1.153 370 H SER 62 H SER 62 -12.831 9.820 -2.356 371 HA SER 62 HA SER 62 -10.995 11.855 -1.882 372 HB2 SER 62 HB2 SER 62 -10.531 9.149 -3.120 373 HB3 SER 62 HB3 SER 62 -9.307 10.166 -2.348 374 HG SER 62 HG SER 62 -9.908 8.932 -0.701 375 H ALA 63 H ALA 63 -11.942 10.318 -4.963 376 HA ALA 63 HA ALA 63 -11.489 12.508 -6.588 377 HB1 ALA 63 HB1 ALA 63 -9.410 11.870 -7.771 378 HB2 ALA 63 HB2 ALA 63 -9.165 10.565 -6.598 379 HB3 ALA 63 HB3 ALA 63 -9.103 12.243 -6.071 380 H THR 64 H THR 64 -10.545 9.109 -6.855 381 HA THR 64 HA THR 64 -12.743 8.573 -8.748 382 HB THR 64 HB THR 64 -9.961 7.382 -8.903 383 HG1 THR 64 HG3 THR 64 -9.223 9.100 -9.780 384 HG21 THR 64 HG21 THR 64 -12.158 7.738 -10.957 385 HG22 THR 64 HG22 THR 64 -11.783 6.246 -10.091 386 HG23 THR 64 HG23 THR 64 -10.615 6.918 -11.225 387 H SER 65 H SER 65 -13.426 6.278 -8.530 388 HA SER 65 HA SER 65 -12.423 5.121 -6.018 389 HB2 SER 65 HB2 SER 65 -15.060 4.602 -7.382 390 HB3 SER 65 HB3 SER 65 -14.550 3.960 -5.821 391 HG SER 65 HG SER 65 -14.723 6.717 -6.399 392 H GLU 66 H GLU 66 -12.565 4.724 -9.353 393 HA GLU 66 HA GLU 66 -12.102 1.954 -9.625 394 HB2 GLU 66 HB2 GLU 66 -12.492 3.658 -11.460 395 HB3 GLU 66 HB3 GLU 66 -10.876 4.236 -11.178 396 HG2 GLU 66 HG2 GLU 66 -10.845 2.770 -13.084 397 HG3 GLU 66 HG3 GLU 66 -9.950 2.045 -11.750 398 H GLU 67 H GLU 67 -10.119 4.760 -8.893 399 HA GLU 67 HA GLU 67 -8.170 3.223 -7.505 400 HB2 GLU 67 HB2 GLU 67 -6.355 4.485 -8.599 401 HB3 GLU 67 HB3 GLU 67 -7.246 3.549 -9.793 402 HG2 GLU 67 HG2 GLU 67 -8.399 5.497 -10.593 403 HG3 GLU 67 HG3 GLU 67 -7.787 6.441 -9.255 404 H CYS 68 H CYS 68 -7.944 4.433 -5.634 405 HA CYS 68 HA CYS 68 -9.144 6.964 -5.243 406 HB2 CYS 68 HB2 CYS 68 -8.347 5.737 -3.312 407 HB3 CYS 68 HB3 CYS 68 -6.695 5.754 -3.893 408 H THR 69 H THR 69 -5.657 6.564 -5.293 409 HA THR 69 HA THR 69 -5.411 7.823 -7.850 410 HB THR 69 HB THR 69 -3.507 9.222 -6.993 411 HG1 THR 69 HG3 THR 69 -4.764 9.428 -4.535 412 HG21 THR 69 HG21 THR 69 -5.582 10.299 -7.650 413 HG22 THR 69 HG22 THR 69 -4.910 11.125 -6.238 414 HG23 THR 69 HG23 THR 69 -6.263 10.022 -6.050 415 H VAL 70 H VAL 70 -3.538 7.012 -8.887 416 HA VAL 70 HA VAL 70 -1.835 5.249 -7.271 417 HB VAL 70 HB VAL 70 -3.542 3.853 -8.454 418 HG11 VAL 70 HG11 VAL 70 -2.238 4.896 -10.920 419 HG12 VAL 70 HG12 VAL 70 -3.887 5.218 -10.388 420 HG13 VAL 70 HG13 VAL 70 -3.411 3.570 -10.873 421 HG21 VAL 70 HG21 VAL 70 -1.420 2.863 -7.880 422 HG22 VAL 70 HG22 VAL 70 -0.696 3.508 -9.353 423 HG23 VAL 70 HG23 VAL 70 -1.947 2.263 -9.458 424 H ALA 71 H ALA 71 0.294 5.210 -7.757 425 HA ALA 71 HA ALA 71 1.149 6.685 -10.129 426 HB1 ALA 71 HB1 ALA 71 2.866 7.771 -8.847 427 HB2 ALA 71 HB2 ALA 71 2.306 6.985 -7.362 428 HB3 ALA 71 HB3 ALA 71 1.285 8.183 -8.174 429 H TRP 72 H TRP 72 2.858 5.869 -11.161 430 HA TRP 72 HA TRP 72 3.832 3.312 -10.180 431 HB2 TRP 72 HB2 TRP 72 4.410 4.624 -12.792 432 HB3 TRP 72 HB3 TRP 72 4.600 2.946 -12.390 433 HD1 TRP 72 HD TRP 72 2.540 4.723 -14.596 434 HE1 TRP 72 HE1 TRP 72 0.205 3.720 -14.916 435 HE3 TRP 72 HE3 TRP 72 2.393 1.799 -10.470 436 HZ2 TRP 72 HZ2 TRP 72 -1.511 1.909 -13.576 437 HZ3 TRP 72 HZ3 TRP 72 0.323 0.433 -10.052 438 HH2 TRP 72 HH TRP 72 -1.553 0.508 -11.574 439 H GLY 73 H GLY 73 5.979 3.006 -9.818 440 HA2 GLY 73 HA2 GLY 73 7.578 5.425 -9.529 441 HA3 GLY 73 HA3 GLY 73 7.829 3.888 -8.690 442 H VAL 74 H VAL 74 9.565 5.595 -10.457 443 HA VAL 74 HA VAL 74 10.006 4.283 -12.922 444 HB VAL 74 HB VAL 74 11.973 5.824 -11.215 445 HG11 VAL 74 HG11 VAL 74 13.176 6.270 -13.313 446 HG12 VAL 74 HG12 VAL 74 12.043 5.228 -14.177 447 HG13 VAL 74 HG13 VAL 74 13.111 4.548 -12.947 448 HG21 VAL 74 HG21 VAL 74 10.062 6.757 -13.350 449 HG22 VAL 74 HG22 VAL 74 11.372 7.746 -12.714 450 HG23 VAL 74 HG23 VAL 74 10.074 7.213 -11.651 451 H CYS 75 H CYS 75 10.832 3.607 -9.695 452 HA CYS 75 HA CYS 75 13.084 1.907 -10.091 453 HB2 CYS 75 HB2 CYS 75 12.667 1.573 -7.644 454 HB3 CYS 75 HB3 CYS 75 12.923 3.239 -8.153 455 H ASN 76 H ASN 76 10.323 1.282 -11.300 456 HA ASN 76 HA ASN 76 9.038 -0.507 -11.828 457 HB2 ASN 76 HB2 ASN 76 11.327 -1.646 -11.895 458 HB3 ASN 76 HB3 ASN 76 10.973 -2.206 -10.267 459 HD21 ASN 76 HD21 ASN 76 10.939 -4.402 -10.845 460 HD22 ASN 76 HD22 ASN 76 9.688 -5.097 -11.793 461 H HIS 77 H HIS 77 8.459 1.022 -9.662 462 HA HIS 77 HA HIS 77 7.204 -0.942 -7.920 463 HB2 HIS 77 HB2 HIS 77 8.550 1.574 -7.214 464 HB3 HIS 77 HB3 HIS 77 7.109 1.128 -6.271 465 HD2 HIS 77 HD2 HIS 77 7.850 -2.133 -6.245 466 HE1 HIS 77 HE1 HIS 77 11.215 -0.804 -4.077 467 HE2 HIS 77 HE2 HIS 77 9.944 -2.789 -4.925 468 H ALA 78 H ALA 78 5.174 -0.233 -6.871 469 HA ALA 78 HA ALA 78 3.708 1.728 -8.372 470 HB1 ALA 78 HB1 ALA 78 1.935 0.131 -8.851 471 HB2 ALA 78 HB2 ALA 78 2.844 -1.145 -8.059 472 HB3 ALA 78 HB3 ALA 78 3.448 -0.441 -9.556 473 H PHE 79 H PHE 79 2.612 2.924 -6.878 474 HA PHE 79 HA PHE 79 1.524 1.612 -4.523 475 HB2 PHE 79 HB2 PHE 79 3.236 4.100 -4.454 476 HB3 PHE 79 HB3 PHE 79 2.297 3.502 -3.090 477 HD1 PHE 79 HD2 PHE 79 3.063 1.368 -1.947 478 HD2 PHE 79 HD3 PHE 79 5.328 3.193 -5.061 479 HE1 PHE 79 HE2 PHE 79 5.098 0.002 -1.330 480 HE2 PHE 79 HE1 PHE 79 7.283 1.851 -4.432 481 HZ PHE 79 HZ PHE 79 7.151 0.275 -2.579 482 H HIS 80 H HIS 80 -0.016 3.239 -3.394 483 HA HIS 80 HA HIS 80 -1.603 4.553 -5.373 484 HB2 HIS 80 HB2 HIS 80 -1.599 4.447 -2.381 485 HB3 HIS 80 HB3 HIS 80 -2.610 5.592 -3.222 486 HD2 HIS 80 HD2 HIS 80 -3.609 3.303 -5.541 487 HE1 HIS 80 HE1 HIS 80 -5.304 1.483 -2.122 488 HE2 HIS 80 HE2 HIS 80 -4.886 1.285 -4.537 489 H PHE 81 H PHE 81 -1.531 6.664 -5.936 490 HA PHE 81 HA PHE 81 0.775 8.152 -5.408 491 HB2 PHE 81 HB2 PHE 81 -0.659 8.590 -7.374 492 HB3 PHE 81 HB3 PHE 81 -1.923 9.080 -6.248 493 HD1 PHE 81 HD3 PHE 81 1.578 9.958 -7.155 494 HD2 PHE 81 HD2 PHE 81 -2.203 11.330 -5.791 495 HE1 PHE 81 HE1 PHE 81 2.395 12.277 -7.240 496 HE2 PHE 81 HE2 PHE 81 -1.393 13.647 -5.865 497 HZ PHE 81 HZ PHE 81 0.900 14.127 -6.597 498 H HIS 82 H HIS 82 -2.380 8.188 -3.980 499 HA HIS 82 HA HIS 82 -2.094 10.348 -2.215 500 HB2 HIS 82 HB2 HIS 82 -4.243 9.271 -2.665 501 HB3 HIS 82 HB3 HIS 82 -3.683 7.790 -1.894 502 HD2 HIS 82 HD2 HIS 82 -2.853 10.920 0.129 503 HE1 HIS 82 HE1 HIS 82 -6.375 9.247 1.814 504 HE2 HIS 82 HE2 HIS 82 -4.450 10.822 2.179 505 H CYS 83 H CYS 83 -1.418 6.874 -1.699 506 HA CYS 83 HA CYS 83 -0.609 7.270 0.970 507 HB2 CYS 83 HB2 CYS 83 -0.105 4.831 -0.779 508 HB3 CYS 83 HB3 CYS 83 -0.048 5.002 0.953 509 H ILE 84 H ILE 84 1.131 6.797 -2.099 510 HA ILE 84 HA ILE 84 3.657 6.785 -0.852 511 HB ILE 84 HB ILE 84 3.265 5.932 -3.223 512 HG12 ILE 84 HG12 ILE 84 5.417 6.791 -4.130 513 HG13 ILE 84 HG11 ILE 84 5.466 7.935 -2.796 514 HG21 ILE 84 HG21 ILE 84 3.306 7.469 -5.071 515 HG22 ILE 84 HG22 ILE 84 3.404 8.830 -3.938 516 HG23 ILE 84 HG23 ILE 84 1.952 7.818 -3.978 517 HD11 ILE 84 HD11 ILE 84 5.557 6.083 -1.196 518 HD12 ILE 84 HD31 ILE 84 5.494 4.932 -2.534 519 HD13 ILE 84 HD21 ILE 84 6.877 6.010 -2.360 520 H SER 85 H SER 85 1.637 9.356 -2.051 521 HA SER 85 HA SER 85 3.429 11.508 -1.802 522 HB2 SER 85 HB2 SER 85 1.150 11.626 -2.810 523 HB3 SER 85 HB3 SER 85 0.474 11.496 -1.207 524 HG SER 85 HG SER 85 2.288 13.555 -1.925 525 H ARG 86 H ARG 86 1.252 10.045 0.514 526 HA ARG 86 HA ARG 86 1.925 11.602 2.809 527 HB2 ARG 86 HB2 ARG 86 1.016 8.733 2.589 528 HB3 ARG 86 HB3 ARG 86 1.150 9.601 4.114 529 HG2 ARG 86 HG2 ARG 86 -0.646 10.396 1.835 530 HG3 ARG 86 HG3 ARG 86 -1.134 9.442 3.237 531 HD2 ARG 86 HD2 ARG 86 -0.080 12.267 3.251 532 HD3 ARG 86 HD3 ARG 86 -1.741 11.770 3.563 533 HE ARG 86 HE ARG 86 0.531 11.018 5.303 534 HH11 ARG 86 HH11 ARG 86 -2.841 12.027 4.914 535 HH12 ARG 86 HH12 ARG 86 -3.127 12.182 6.574 536 HH21 ARG 86 HH21 ARG 86 0.145 11.163 7.531 537 HH22 ARG 86 HH22 ARG 86 -1.387 11.635 8.124 538 H TRP 87 H TRP 87 3.259 8.685 1.431 539 HA TRP 87 HA TRP 87 5.152 8.095 3.443 540 HB2 TRP 87 HB2 TRP 87 4.499 6.445 1.807 541 HB3 TRP 87 HB3 TRP 87 5.087 7.464 0.496 542 HD1 TRP 87 HD TRP 87 7.554 7.171 -0.176 543 HE1 TRP 87 HE1 TRP 87 9.499 5.796 0.751 544 HE3 TRP 87 HE3 TRP 87 5.401 5.554 4.132 545 HZ2 TRP 87 HZ2 TRP 87 10.058 4.196 3.023 546 HZ3 TRP 87 HZ3 TRP 87 6.707 4.083 5.648 547 HH2 TRP 87 HH TRP 87 8.984 3.434 5.098 548 H LEU 88 H LEU 88 5.401 9.863 0.427 549 HA LEU 88 HA LEU 88 8.131 10.509 0.724 550 HB2 LEU 88 HB2 LEU 88 5.972 11.626 -1.014 551 HB3 LEU 88 HB3 LEU 88 7.676 12.058 -1.185 552 HG LEU 88 HG LEU 88 6.646 9.251 -1.376 553 HD11 LEU 88 HD11 LEU 88 7.315 11.168 -3.597 554 HD12 LEU 88 HD12 LEU 88 5.710 10.569 -3.117 555 HD13 LEU 88 HD13 LEU 88 6.915 9.445 -3.729 556 HD21 LEU 88 HD21 LEU 88 8.997 9.410 -0.736 557 HD22 LEU 88 HD22 LEU 88 9.325 10.476 -2.098 558 HD23 LEU 88 HD23 LEU 88 8.860 8.815 -2.383 559 H LYS 89 H LYS 89 5.276 11.944 1.785 560 HA LYS 89 HA LYS 89 6.146 14.499 2.525 561 HB2 LYS 89 HB2 LYS 89 3.801 13.705 2.558 562 HB3 LYS 89 HB3 LYS 89 4.208 12.653 3.899 563 HG2 LYS 89 HG2 LYS 89 4.685 14.600 5.286 564 HG3 LYS 89 HG3 LYS 89 4.292 15.660 3.928 565 HD2 LYS 89 HD2 LYS 89 2.035 14.784 3.861 566 HD3 LYS 89 HD3 LYS 89 2.397 13.664 5.171 567 HE2 LYS 89 HE2 LYS 89 1.194 15.593 6.016 568 HE3 LYS 89 HE1 LYS 89 2.846 15.564 6.637 569 HZ1 LYS 89 HZ1 LYS 89 1.956 17.217 4.326 570 HZ2 LYS 89 HZ2 LYS 89 3.458 17.293 5.112 571 HZ3 LYS 89 HZ3 LYS 89 2.055 17.757 5.922 572 H THR 90 H THR 90 6.374 11.341 4.109 573 HA THR 90 HA THR 90 7.918 12.627 6.211 574 HB THR 90 HB THR 90 6.055 11.447 7.064 575 HG1 THR 90 HG3 THR 90 8.562 10.284 7.579 576 HG21 THR 90 HG21 THR 90 7.111 8.995 5.640 577 HG22 THR 90 HG22 THR 90 5.582 9.817 5.363 578 HG23 THR 90 HG23 THR 90 5.861 8.963 6.873 579 H ARG 91 H ARG 91 8.503 10.660 3.437 580 HA ARG 91 HA ARG 91 11.183 9.983 4.348 581 HB2 ARG 91 HB2 ARG 91 9.303 7.911 3.123 582 HB3 ARG 91 HB3 ARG 91 10.977 7.720 3.542 583 HG2 ARG 91 HG2 ARG 91 8.857 8.350 5.563 584 HG3 ARG 91 HG3 ARG 91 9.408 6.721 5.193 585 HD2 ARG 91 HD2 ARG 91 11.567 7.166 5.920 586 HD3 ARG 91 HD3 ARG 91 11.301 8.904 6.019 587 HE ARG 91 HE ARG 91 9.787 7.034 7.707 588 HH11 ARG 91 HH11 ARG 91 12.168 9.685 7.467 589 HH12 ARG 91 HH12 ARG 91 12.089 10.111 9.101 590 HH21 ARG 91 HH21 ARG 91 9.667 7.673 10.018 591 HH22 ARG 91 HH22 ARG 91 10.654 8.949 10.570 592 H GLN 92 H GLN 92 12.565 9.568 2.552 593 HA GLN 92 HA GLN 92 11.406 10.544 0.056 594 HB2 GLN 92 HB2 GLN 92 13.950 11.293 1.368 595 HB3 GLN 92 HB3 GLN 92 13.723 11.468 -0.374 596 HG2 GLN 92 HG2 GLN 92 11.816 12.520 1.649 597 HG3 GLN 92 HG3 GLN 92 13.081 13.569 1.085 598 HE21 GLN 92 HE21 GLN 92 10.251 13.925 0.841 599 HE22 GLN 92 HE22 GLN 92 9.858 13.954 -0.838 600 H VAL 93 H VAL 93 12.259 7.882 1.191 601 HA VAL 93 HA VAL 93 13.443 6.922 -1.348 602 HB VAL 93 HB VAL 93 14.424 5.017 0.099 603 HG11 VAL 93 HG11 VAL 93 15.546 7.797 0.451 604 HG12 VAL 93 HG12 VAL 93 15.788 6.760 -0.963 605 HG13 VAL 93 HG13 VAL 93 16.441 6.277 0.613 606 HG21 VAL 93 HG21 VAL 93 13.126 5.566 2.111 607 HG22 VAL 93 HG22 VAL 93 13.974 7.106 2.192 608 HG23 VAL 93 HG23 VAL 93 14.873 5.591 2.436 609 H CYS 94 H CYS 94 12.768 4.773 -1.944 610 HA CYS 94 HA CYS 94 10.080 4.204 -1.675 611 HB2 CYS 94 HB2 CYS 94 12.350 2.373 -2.128 612 HB3 CYS 94 HB3 CYS 94 10.685 1.904 -2.442 613 HA PRO 95 HA PRO 95 9.664 2.251 2.406 614 HB2 PRO 95 HB2 PRO 95 7.691 0.574 1.018 615 HB3 PRO 95 HB3 PRO 95 7.463 1.592 2.440 616 HG2 PRO 95 HG2 PRO 95 6.454 2.267 0.053 617 HG3 PRO 95 HG3 PRO 95 7.102 3.516 1.162 618 HD2 PRO 95 HD2 PRO 95 8.266 2.321 -1.312 619 HD3 PRO 95 HD3 PRO 95 8.370 3.981 -0.704 620 H LEU 96 H LEU 96 9.826 0.606 -0.601 621 HA LEU 96 HA LEU 96 10.478 -1.983 0.624 622 HB2 LEU 96 HB2 LEU 96 9.993 -1.339 -2.282 623 HB3 LEU 96 HB3 LEU 96 10.022 -2.921 -1.557 624 HG LEU 96 HG LEU 96 7.926 -0.821 -1.128 625 HD11 LEU 96 HD11 LEU 96 6.485 -2.346 -2.359 626 HD12 LEU 96 HD12 LEU 96 7.847 -3.439 -2.597 627 HD13 LEU 96 HD13 LEU 96 7.874 -1.826 -3.315 628 HD21 LEU 96 HD21 LEU 96 8.325 -2.232 0.884 629 HD22 LEU 96 HD22 LEU 96 7.987 -3.667 -0.093 630 HD23 LEU 96 HD23 LEU 96 6.734 -2.454 0.169 631 H ASP 97 H ASP 97 11.592 0.136 -1.975 632 HA ASP 97 HA ASP 97 14.001 -1.314 -2.501 633 HB2 ASP 97 HB2 ASP 97 12.912 1.298 -3.439 634 HB3 ASP 97 HB3 ASP 97 14.641 1.013 -3.639 635 H ASN 98 H ASN 98 13.188 1.340 -0.389 636 HA ASN 98 HA ASN 98 14.361 2.840 0.818 637 HB2 ASN 98 HB2 ASN 98 15.154 0.713 1.950 638 HB3 ASN 98 HB3 ASN 98 16.564 0.753 0.882 639 HD21 ASN 98 HD21 ASN 98 18.016 0.931 2.564 640 HD22 ASN 98 HD22 ASN 98 18.192 2.372 3.504 641 H ARG 99 H ARG 99 14.477 2.981 -1.932 642 HA ARG 99 HA ARG 99 17.105 4.213 -2.453 643 HB2 ARG 99 HB2 ARG 99 15.206 2.885 -4.406 644 HB3 ARG 99 HB3 ARG 99 16.688 3.713 -4.841 645 HG2 ARG 99 HG2 ARG 99 16.551 1.363 -3.052 646 HG3 ARG 99 HG3 ARG 99 16.844 1.217 -4.804 647 HD2 ARG 99 HD2 ARG 99 18.879 2.597 -4.520 648 HD3 ARG 99 HD3 ARG 99 18.552 2.710 -2.794 649 HE ARG 99 HE ARG 99 19.133 0.201 -4.195 650 HH11 ARG 99 HH11 ARG 99 19.571 2.341 -1.413 651 HH12 ARG 99 HH12 ARG 99 20.509 1.217 -0.524 652 HH21 ARG 99 HH21 ARG 99 20.435 -1.318 -2.990 653 HH22 ARG 99 HH22 ARG 99 21.005 -0.906 -1.434 654 H GLU 100 H GLU 100 16.919 6.083 -3.867 655 HA GLU 100 HA GLU 100 14.988 7.880 -2.904 656 HB2 GLU 100 HB2 GLU 100 17.196 8.490 -3.845 657 HB3 GLU 100 HB3 GLU 100 16.617 8.070 -5.447 658 HG2 GLU 100 HG2 GLU 100 14.934 9.848 -5.285 659 HG3 GLU 100 HG3 GLU 100 15.549 10.260 -3.684 660 H TRP 101 H TRP 101 12.874 8.039 -3.379 661 HA TRP 101 HA TRP 101 11.807 6.417 -5.447 662 HB2 TRP 101 HB2 TRP 101 10.448 6.474 -3.503 663 HB3 TRP 101 HB3 TRP 101 10.578 8.202 -3.351 664 HD1 TRP 101 HD TRP 101 8.970 9.668 -4.906 665 HE1 TRP 101 HE1 TRP 101 6.829 9.093 -6.197 666 HE3 TRP 101 HE3 TRP 101 9.321 4.637 -4.785 667 HZ2 TRP 101 HZ2 TRP 101 5.463 6.823 -7.058 668 HZ3 TRP 101 HZ3 TRP 101 7.526 3.290 -5.890 669 HH2 TRP 101 HH TRP 101 5.637 4.405 -6.996 670 H GLU 102 H GLU 102 11.020 6.987 -7.378 671 HA GLU 102 HA GLU 102 10.754 9.822 -8.047 672 HB2 GLU 102 HB2 GLU 102 12.229 7.719 -9.619 673 HB3 GLU 102 HB3 GLU 102 11.773 9.291 -10.289 674 HG2 GLU 102 HG2 GLU 102 13.134 10.398 -8.592 675 HG3 GLU 102 HG3 GLU 102 13.568 8.832 -7.919 676 H PHE 103 H PHE 103 9.034 10.280 -9.442 677 HA PHE 103 HA PHE 103 7.087 8.150 -9.642 678 HB2 PHE 103 HB2 PHE 103 6.957 11.122 -10.185 679 HB3 PHE 103 HB3 PHE 103 5.641 10.053 -10.572 680 HD1 PHE 103 HD2 PHE 103 4.494 8.876 -8.746 681 HD2 PHE 103 HD3 PHE 103 7.320 11.916 -8.061 682 HE1 PHE 103 HE2 PHE 103 3.569 9.181 -6.472 683 HE2 PHE 103 HE1 PHE 103 6.436 12.252 -5.769 684 HZ PHE 103 HZ PHE 103 4.551 10.880 -4.981 685 H GLN 104 H GLN 104 7.021 6.920 -11.363 686 HA GLN 104 HA GLN 104 8.081 7.719 -13.918 687 HB2 GLN 104 HB2 GLN 104 7.972 5.327 -13.103 688 HB3 GLN 104 HB3 GLN 104 6.239 5.435 -13.231 689 HG2 GLN 104 HG2 GLN 104 7.091 4.305 -15.171 690 HG3 GLN 104 HG3 GLN 104 6.401 5.865 -15.616 691 HE21 GLN 104 HE21 GLN 104 7.676 7.422 -16.473 692 HE22 GLN 104 HE22 GLN 104 9.346 7.211 -16.856 693 H LYS 105 H LYS 105 4.947 7.311 -12.431 694 HA LYS 105 HA LYS 105 3.737 9.313 -14.168 695 HB2 LYS 105 HB2 LYS 105 3.187 7.139 -15.215 696 HB3 LYS 105 HB3 LYS 105 2.613 6.557 -13.663 697 HG2 LYS 105 HG2 LYS 105 0.844 8.248 -13.670 698 HG3 LYS 105 HG3 LYS 105 1.398 8.810 -15.247 699 HD2 LYS 105 HD2 LYS 105 0.940 6.607 -16.195 700 HD3 LYS 105 HD3 LYS 105 0.372 6.033 -14.632 701 HE2 LYS 105 HE2 LYS 105 -1.381 7.759 -14.670 702 HE3 LYS 105 HE1 LYS 105 -0.831 8.258 -16.274 703 HZ1 LYS 105 HZ1 LYS 105 -1.913 5.588 -15.543 704 HZ2 LYS 105 HZ2 LYS 105 -1.365 6.006 -17.092 705 HZ3 LYS 105 HZ3 LYS 105 -2.720 6.774 -16.434 706 H TYR 106 H TYR 106 2.927 10.713 -12.700 707 HA TYR 106 HA TYR 106 2.200 9.788 -10.028 708 HB2 TYR 106 HB2 TYR 106 2.035 12.094 -9.405 709 HB3 TYR 106 HB3 TYR 106 3.467 11.943 -10.403 710 HD1 TYR 106 HD3 TYR 106 3.351 12.724 -12.811 711 HD2 TYR 106 HD2 TYR 106 0.278 13.555 -9.998 712 HE1 TYR 106 HE1 TYR 106 2.501 14.520 -14.261 713 HE2 TYR 106 HE2 TYR 106 -0.580 15.344 -11.434 714 HH TYR 106 HH TYR 106 0.116 15.587 -14.553 715 H GLY 107 H GLY 107 0.718 10.260 -12.991 716 HA2 GLY 107 HA2 GLY 107 -1.788 9.507 -12.720 717 HA3 GLY 107 HA3 GLY 107 -1.871 11.111 -11.989 718 H HIS 108 H HIS 108 -3.232 11.843 -13.754 719 HA HIS 108 HA HIS 108 -1.635 12.233 -16.172 720 HB2 HIS 108 HB2 HIS 108 -3.747 13.102 -17.255 721 HB3 HIS 108 HB3 HIS 108 -3.801 11.416 -16.784 722 HD2 HIS 108 HD2 HIS 108 -5.695 14.715 -16.166 723 HE1 HIS 108 HE1 HIS 108 -7.301 11.755 -13.569 724 HE2 HIS 108 HE2 HIS 108 -7.622 14.083 -14.523 Start of MODEL 10 1 H1 GLY 9 H GLY 9 -26.700 42.874 23.521 2 HA2 GLY 9 HA2 GLY 9 -28.396 41.451 24.107 3 HA3 GLY 9 HA3 GLY 9 -29.132 41.785 22.538 4 H GLY 10 H GLY 10 -29.436 40.004 21.408 5 HA2 GLY 10 HA2 GLY 10 -27.463 37.832 21.624 6 HA3 GLY 10 HA3 GLY 10 -29.128 37.648 21.060 7 H GLY 11 H GLY 11 -28.787 36.845 19.033 8 HA2 GLY 11 HA2 GLY 11 -27.948 38.749 17.062 9 HA3 GLY 11 HA3 GLY 11 -26.827 37.404 17.249 10 H GLY 12 H GLY 12 -27.536 35.286 16.781 11 HA2 GLY 12 HA2 GLY 12 -29.356 33.826 16.114 12 HA3 GLY 12 HA3 GLY 12 -30.032 35.183 15.216 13 H THR 13 H THR 13 -26.698 33.933 15.376 14 HA THR 13 HA THR 13 -26.849 33.608 12.455 15 HB THR 13 HB THR 13 -24.405 34.120 14.176 16 HG1 THR 13 HG3 THR 13 -26.218 35.777 13.424 17 HG21 THR 13 HG21 THR 13 -23.237 34.426 12.034 18 HG22 THR 13 HG22 THR 13 -24.721 34.026 11.168 19 HG23 THR 13 HG23 THR 13 -23.915 32.799 12.148 20 H ASN 14 H ASN 14 -27.185 31.545 12.008 21 HA ASN 14 HA ASN 14 -25.757 29.474 13.524 22 HB2 ASN 14 HB2 ASN 14 -28.211 29.210 13.356 23 HB3 ASN 14 HB3 ASN 14 -28.081 29.226 11.601 24 HD21 ASN 14 HD21 ASN 14 -28.957 27.205 11.376 25 HD22 ASN 14 HD22 ASN 14 -28.136 25.756 11.804 26 H SER 15 H SER 15 -23.780 29.285 12.592 27 HA SER 15 HA SER 15 -23.420 29.635 9.784 28 HB2 SER 15 HB2 SER 15 -21.477 28.478 11.786 29 HB3 SER 15 HB3 SER 15 -21.093 29.171 10.205 30 HG SER 15 HG SER 15 -22.162 30.467 12.464 31 H GLY 16 H GLY 16 -23.072 28.141 8.226 32 HA2 GLY 16 HA2 GLY 16 -23.443 25.329 9.020 33 HA3 GLY 16 HA3 GLY 16 -24.220 26.019 7.597 34 H ALA 17 H ALA 17 -22.234 23.821 7.996 35 HA ALA 17 HA ALA 17 -19.799 24.615 6.791 36 HB1 ALA 17 HB1 ALA 17 -19.415 22.230 6.392 37 HB2 ALA 17 HB2 ALA 17 -21.099 21.882 6.775 38 HB3 ALA 17 HB3 ALA 17 -20.021 22.500 8.025 39 H GLY 18 H GLY 18 -22.924 23.610 5.525 40 HA2 GLY 18 HA2 GLY 18 -23.810 24.066 3.452 41 HA3 GLY 18 HA3 GLY 18 -22.265 24.763 2.975 42 H LYS 19 H LYS 19 -22.362 21.631 4.380 43 HA LYS 19 HA LYS 19 -21.465 20.556 1.812 44 HB2 LYS 19 HB2 LYS 19 -19.901 20.381 3.726 45 HB3 LYS 19 HB3 LYS 19 -21.102 19.447 4.602 46 HG2 LYS 19 HG2 LYS 19 -20.944 17.654 2.983 47 HG3 LYS 19 HG3 LYS 19 -19.835 18.608 2.002 48 HD2 LYS 19 HD2 LYS 19 -18.544 17.035 3.269 49 HD3 LYS 19 HD3 LYS 19 -18.252 18.635 3.939 50 HE2 LYS 19 HE2 LYS 19 -18.532 17.057 5.739 51 HE3 LYS 19 HE1 LYS 19 -19.930 18.130 5.722 52 HZ1 LYS 19 HZ1 LYS 19 -19.832 15.364 4.614 53 HZ2 LYS 19 HZ2 LYS 19 -21.199 16.367 4.599 54 HZ3 LYS 19 HZ3 LYS 19 -20.576 15.824 6.047 55 H LYS 20 H LYS 20 -22.671 19.195 0.754 56 HA LYS 20 HA LYS 20 -24.908 17.842 2.126 57 HB2 LYS 20 HB2 LYS 20 -26.199 18.100 0.050 58 HB3 LYS 20 HB3 LYS 20 -25.748 19.648 0.740 59 HG2 LYS 20 HG2 LYS 20 -23.920 19.832 -0.887 60 HG3 LYS 20 HG3 LYS 20 -24.420 18.296 -1.600 61 HD2 LYS 20 HD2 LYS 20 -26.592 19.242 -2.142 62 HD3 LYS 20 HD3 LYS 20 -26.135 20.769 -1.393 63 HE2 LYS 20 HE2 LYS 20 -24.328 21.007 -3.050 64 HE3 LYS 20 HE1 LYS 20 -24.835 19.493 -3.795 65 HZ1 LYS 20 HZ1 LYS 20 -26.912 20.439 -4.390 66 HZ2 LYS 20 HZ2 LYS 20 -25.732 21.611 -4.851 67 HZ3 LYS 20 HZ3 LYS 20 -26.621 21.809 -3.454 68 H ARG 21 H ARG 21 -22.092 17.158 1.288 69 HA ARG 21 HA ARG 21 -22.704 14.709 -0.198 70 HB2 ARG 21 HB2 ARG 21 -20.761 15.034 -1.590 71 HB3 ARG 21 HB3 ARG 21 -21.754 16.483 -1.705 72 HG2 ARG 21 HG2 ARG 21 -20.312 17.584 -0.067 73 HG3 ARG 21 HG3 ARG 21 -19.295 16.147 -0.011 74 HD2 ARG 21 HD2 ARG 21 -18.890 16.433 -2.446 75 HD3 ARG 21 HD3 ARG 21 -19.785 17.953 -2.372 76 HE ARG 21 HE ARG 21 -18.148 18.812 -0.888 77 HH11 ARG 21 HH11 ARG 21 -17.251 15.877 -2.681 78 HH12 ARG 21 HH12 ARG 21 -15.607 15.962 -2.273 79 HH21 ARG 21 HH21 ARG 21 -15.833 18.898 -0.313 80 HH22 ARG 21 HH22 ARG 21 -14.818 17.634 -0.919 81 H PHE 22 H PHE 22 -20.919 13.090 0.149 82 HA PHE 22 HA PHE 22 -19.817 13.513 2.827 83 HB2 PHE 22 HB2 PHE 22 -20.445 10.952 1.366 84 HB3 PHE 22 HB3 PHE 22 -19.665 11.031 2.942 85 HD1 PHE 22 HD3 PHE 22 -20.898 11.869 4.899 86 HD2 PHE 22 HD2 PHE 22 -22.791 11.291 1.137 87 HE1 PHE 22 HE1 PHE 22 -23.097 11.952 5.994 88 HE2 PHE 22 HE2 PHE 22 -24.996 11.365 2.224 89 HZ PHE 22 HZ PHE 22 -25.150 11.699 4.658 90 H GLU 23 H GLU 23 -17.807 14.108 2.871 91 HA GLU 23 HA GLU 23 -15.762 12.489 1.737 92 HB2 GLU 23 HB2 GLU 23 -16.232 13.960 -0.205 93 HB3 GLU 23 HB3 GLU 23 -15.975 15.370 0.817 94 HG2 GLU 23 HG2 GLU 23 -13.652 14.660 1.188 95 HG3 GLU 23 HG3 GLU 23 -13.917 13.284 0.124 96 H VAL 24 H VAL 24 -14.086 12.528 3.124 97 HA VAL 24 HA VAL 24 -13.833 14.896 4.845 98 HB VAL 24 HB VAL 24 -13.348 12.022 5.692 99 HG11 VAL 24 HG11 VAL 24 -13.073 14.577 7.281 100 HG12 VAL 24 HG12 VAL 24 -11.748 13.559 6.724 101 HG13 VAL 24 HG13 VAL 24 -12.889 12.943 7.915 102 HG21 VAL 24 HG21 VAL 24 -15.717 12.547 5.588 103 HG22 VAL 24 HG22 VAL 24 -15.456 13.995 6.568 104 HG23 VAL 24 HG23 VAL 24 -15.196 12.396 7.267 105 H LYS 25 H LYS 25 -12.121 15.895 3.995 106 HA LYS 25 HA LYS 25 -9.850 14.442 2.986 107 HB2 LYS 25 HB2 LYS 25 -10.176 17.378 3.651 108 HB3 LYS 25 HB3 LYS 25 -8.779 16.689 2.850 109 HG2 LYS 25 HG2 LYS 25 -10.204 16.028 0.962 110 HG3 LYS 25 HG3 LYS 25 -11.595 16.753 1.774 111 HD2 LYS 25 HD2 LYS 25 -10.487 18.928 1.753 112 HD3 LYS 25 HD3 LYS 25 -9.079 18.213 0.974 113 HE2 LYS 25 HE2 LYS 25 -10.412 19.346 -0.676 114 HE3 LYS 25 HE1 LYS 25 -10.506 17.608 -0.953 115 HZ1 LYS 25 HZ1 LYS 25 -12.586 19.098 0.569 116 HZ2 LYS 25 HZ2 LYS 25 -12.716 17.548 -0.159 117 HZ3 LYS 25 HZ3 LYS 25 -12.629 18.913 -1.097 118 H LYS 26 H LYS 26 -8.892 13.249 4.526 119 HA LYS 26 HA LYS 26 -8.483 14.355 7.154 120 HB2 LYS 26 HB2 LYS 26 -9.221 12.022 6.930 121 HB3 LYS 26 HB3 LYS 26 -7.726 11.632 6.092 122 HG2 LYS 26 HG2 LYS 26 -6.439 12.105 8.091 123 HG3 LYS 26 HG3 LYS 26 -7.894 12.632 8.933 124 HD2 LYS 26 HD2 LYS 26 -8.838 10.387 8.678 125 HD3 LYS 26 HD3 LYS 26 -7.364 9.869 7.867 126 HE2 LYS 26 HE2 LYS 26 -6.067 10.274 9.869 127 HE3 LYS 26 HE1 LYS 26 -7.477 10.953 10.682 128 HZ1 LYS 26 HZ1 LYS 26 -6.951 8.601 11.266 129 HZ2 LYS 26 HZ2 LYS 26 -7.425 8.151 9.683 130 HZ3 LYS 26 HZ3 LYS 26 -8.520 8.875 10.723 131 H SER 27 H SER 27 -6.611 14.830 8.098 132 HA SER 27 HA SER 27 -4.637 15.973 6.444 133 HB2 SER 27 HB2 SER 27 -4.662 15.519 9.425 134 HB3 SER 27 HB3 SER 27 -3.576 16.603 8.550 135 HG SER 27 HG SER 27 -5.331 17.681 9.432 136 H ASN 28 H ASN 28 -2.262 15.675 7.236 137 HA ASN 28 HA ASN 28 -1.308 13.253 6.206 138 HB2 ASN 28 HB2 ASN 28 0.015 15.238 6.016 139 HB3 ASN 28 HB3 ASN 28 0.056 15.450 7.757 140 HD21 ASN 28 HD21 ASN 28 1.639 14.481 8.921 141 HD22 ASN 28 HD22 ASN 28 2.858 13.474 8.261 142 H ALA 29 H ALA 29 -1.757 14.318 9.519 143 HA ALA 29 HA ALA 29 -0.233 12.441 10.872 144 HB1 ALA 29 HB1 ALA 29 -1.621 12.890 12.819 145 HB2 ALA 29 HB2 ALA 29 -2.848 13.627 11.790 146 HB3 ALA 29 HB3 ALA 29 -1.263 14.386 11.953 147 H SER 30 H SER 30 -0.273 10.341 10.386 148 HA SER 30 HA SER 30 -2.796 8.891 10.728 149 HB2 SER 30 HB2 SER 30 -0.686 8.313 8.624 150 HB3 SER 30 HB3 SER 30 -2.176 7.406 8.883 151 HG SER 30 HG SER 30 -2.010 10.144 8.173 152 H ALA 31 H ALA 31 -2.487 6.715 11.532 153 HA ALA 31 HA ALA 31 -0.349 6.657 13.440 154 HB1 ALA 31 HB1 ALA 31 -1.427 4.676 14.345 155 HB2 ALA 31 HB2 ALA 31 -2.521 4.629 12.955 156 HB3 ALA 31 HB3 ALA 31 -2.591 5.978 14.088 157 H GLN 32 H GLN 32 -1.405 3.920 11.326 158 HA GLN 32 HA GLN 32 1.248 3.458 10.372 159 HB2 GLN 32 HB2 GLN 32 1.726 1.381 11.585 160 HB3 GLN 32 HB3 GLN 32 1.673 2.775 12.658 161 HG2 GLN 32 HG2 GLN 32 -0.528 2.131 13.427 162 HG3 GLN 32 HG3 GLN 32 -0.568 0.793 12.279 163 HE21 GLN 32 HE21 GLN 32 0.631 -1.048 12.685 164 HE22 GLN 32 HE22 GLN 32 1.347 -1.383 14.207 165 H SER 33 H SER 33 1.471 1.188 9.418 166 HA SER 33 HA SER 33 -0.900 -0.308 8.976 167 HB2 SER 33 HB2 SER 33 -0.938 1.550 7.197 168 HB3 SER 33 HB3 SER 33 0.522 0.807 6.539 169 HG SER 33 HG SER 33 -2.102 -0.141 6.651 170 H ALA 34 H ALA 34 -0.235 -2.272 7.600 171 HA ALA 34 HA ALA 34 2.462 -3.049 8.474 172 HB1 ALA 34 HB1 ALA 34 1.698 -5.363 8.198 173 HB2 ALA 34 HB2 ALA 34 0.144 -4.781 7.601 174 HB3 ALA 34 HB3 ALA 34 0.622 -4.466 9.267 175 H TRP 35 H TRP 35 4.002 -3.733 7.000 176 HA TRP 35 HA TRP 35 3.525 -2.761 4.337 177 HB2 TRP 35 HB2 TRP 35 6.016 -3.969 5.563 178 HB3 TRP 35 HB3 TRP 35 5.936 -3.155 4.002 179 HD1 TRP 35 HD TRP 35 6.563 -2.488 7.592 180 HE1 TRP 35 HE1 TRP 35 6.682 0.044 8.046 181 HE3 TRP 35 HE3 TRP 35 4.706 -0.780 3.147 182 HZ2 TRP 35 HZ2 TRP 35 6.061 2.439 6.707 183 HZ3 TRP 35 HZ3 TRP 35 4.497 1.640 2.821 184 HH2 TRP 35 HH TRP 35 5.160 3.217 4.559 185 H ASP 36 H ASP 36 3.258 -3.910 2.533 186 HA ASP 36 HA ASP 36 2.921 -6.805 2.834 187 HB2 ASP 36 HB2 ASP 36 0.982 -5.377 2.057 188 HB3 ASP 36 HB3 ASP 36 1.902 -5.038 0.595 189 H ILE 37 H ILE 37 3.545 -8.167 0.951 190 HA ILE 37 HA ILE 37 6.175 -7.276 0.028 191 HB ILE 37 HB ILE 37 6.681 -9.650 -0.365 192 HG12 ILE 37 HG12 ILE 37 3.979 -10.214 0.872 193 HG13 ILE 37 HG11 ILE 37 4.321 -10.329 -0.851 194 HG21 ILE 37 HG21 ILE 37 5.627 -9.052 2.395 195 HG22 ILE 37 HG22 ILE 37 7.241 -8.687 1.779 196 HG23 ILE 37 HG23 ILE 37 6.734 -10.364 1.985 197 HD11 ILE 37 HD11 ILE 37 5.599 -11.969 1.326 198 HD12 ILE 37 HD31 ILE 37 4.342 -12.506 0.210 199 HD13 ILE 37 HD21 ILE 37 5.944 -12.096 -0.404 200 H VAL 38 H VAL 38 3.192 -7.207 -1.225 201 HA VAL 38 HA VAL 38 4.007 -8.211 -3.855 202 HB VAL 38 HB VAL 38 1.260 -7.711 -2.678 203 HG11 VAL 38 HG11 VAL 38 0.346 -8.668 -4.751 204 HG12 VAL 38 HG12 VAL 38 1.962 -8.617 -5.464 205 HG13 VAL 38 HG13 VAL 38 1.154 -7.123 -4.991 206 HG21 VAL 38 HG21 VAL 38 2.292 -9.731 -1.859 207 HG22 VAL 38 HG22 VAL 38 2.648 -10.258 -3.504 208 HG23 VAL 38 HG23 VAL 38 0.975 -10.140 -2.958 209 H VAL 39 H VAL 39 4.256 -6.842 -5.470 210 HA VAL 39 HA VAL 39 4.313 -4.022 -4.969 211 HB VAL 39 HB VAL 39 4.722 -5.453 -7.616 212 HG11 VAL 39 HG11 VAL 39 5.592 -2.716 -6.698 213 HG12 VAL 39 HG12 VAL 39 4.374 -3.070 -7.909 214 HG13 VAL 39 HG13 VAL 39 6.064 -3.472 -8.219 215 HG21 VAL 39 HG21 VAL 39 6.227 -6.351 -5.930 216 HG22 VAL 39 HG22 VAL 39 6.750 -4.722 -5.503 217 HG23 VAL 39 HG23 VAL 39 7.124 -5.378 -7.096 218 H ASP 40 H ASP 40 2.020 -6.169 -6.193 219 HA ASP 40 HA ASP 40 0.440 -4.168 -7.581 220 HB2 ASP 40 HB2 ASP 40 -0.370 -6.966 -6.759 221 HB3 ASP 40 HB3 ASP 40 -1.273 -5.824 -7.762 222 H ASN 41 H ASN 41 1.066 -4.750 -4.427 223 HA ASN 41 HA ASN 41 -1.541 -3.685 -3.617 224 HB2 ASN 41 HB2 ASN 41 0.532 -5.225 -2.067 225 HB3 ASN 41 HB3 ASN 41 -0.782 -4.350 -1.288 226 HD21 ASN 41 HD21 ASN 41 -0.079 -7.206 -1.377 227 HD22 ASN 41 HD22 ASN 41 -1.493 -8.024 -1.943 228 H CYS 42 H CYS 42 -1.596 -1.785 -2.539 229 HA CYS 42 HA CYS 42 0.786 -0.155 -2.470 230 HB2 CYS 42 HB2 CYS 42 -1.651 0.665 -2.814 231 HB3 CYS 42 HB3 CYS 42 -1.867 0.321 -1.132 232 H ALA 43 H ALA 43 2.192 -0.693 -0.949 233 HA ALA 43 HA ALA 43 1.395 -2.309 1.301 234 HB1 ALA 43 HB1 ALA 43 3.756 -2.300 1.906 235 HB2 ALA 43 HB2 ALA 43 4.075 -1.067 0.682 236 HB3 ALA 43 HB3 ALA 43 3.536 -2.680 0.199 237 H ILE 44 H ILE 44 1.546 0.939 0.643 238 HA ILE 44 HA ILE 44 2.367 1.927 3.166 239 HB ILE 44 HB ILE 44 0.875 3.314 0.929 240 HG12 ILE 44 HG12 ILE 44 3.839 3.017 1.494 241 HG13 ILE 44 HG11 ILE 44 2.940 2.281 0.226 242 HG21 ILE 44 HG21 ILE 44 2.511 4.371 3.263 243 HG22 ILE 44 HG22 ILE 44 0.762 4.556 3.056 244 HG23 ILE 44 HG23 ILE 44 1.872 5.361 1.954 245 HD11 ILE 44 HD11 ILE 44 3.270 5.242 0.490 246 HD12 ILE 44 HD31 ILE 44 4.206 4.203 -0.583 247 HD13 ILE 44 HD21 ILE 44 2.465 4.384 -0.831 248 H CYS 45 H CYS 45 -0.730 1.393 1.597 249 HA CYS 45 HA CYS 45 -2.088 1.983 4.153 250 HB2 CYS 45 HB2 CYS 45 -4.122 2.316 2.836 251 HB3 CYS 45 HB3 CYS 45 -2.811 3.343 2.254 252 H ARG 46 H ARG 46 -1.318 -0.506 1.900 253 HA ARG 46 HA ARG 46 -1.361 -2.722 2.142 254 HB2 ARG 46 HB2 ARG 46 -1.686 -2.336 4.608 255 HB3 ARG 46 HB3 ARG 46 -3.414 -2.427 4.352 256 HG2 ARG 46 HG2 ARG 46 -2.827 -4.527 5.094 257 HG3 ARG 46 HG3 ARG 46 -2.995 -4.713 3.356 258 HD2 ARG 46 HD2 ARG 46 -0.577 -4.500 3.082 259 HD3 ARG 46 HD3 ARG 46 -0.389 -4.332 4.827 260 HE ARG 46 HE ARG 46 -1.682 -6.721 3.798 261 HH11 ARG 46 HH11 ARG 46 1.156 -5.231 5.242 262 HH12 ARG 46 HH12 ARG 46 1.917 -6.693 5.671 263 HH21 ARG 46 HH21 ARG 46 -0.649 -8.777 4.374 264 HH22 ARG 46 HH22 ARG 46 0.872 -8.733 5.160 265 H ASN 47 H ASN 47 -3.109 -0.956 0.616 266 HA ASN 47 HA ASN 47 -5.420 -2.713 0.165 267 HB2 ASN 47 HB2 ASN 47 -4.982 0.191 -0.351 268 HB3 ASN 47 HB3 ASN 47 -6.292 -0.699 -1.081 269 HD21 ASN 47 HD21 ASN 47 -5.008 0.596 1.836 270 HD22 ASN 47 HD22 ASN 47 -6.426 0.363 2.814 271 H HIS 48 H HIS 48 -6.115 -2.935 -2.072 272 HA HIS 48 HA HIS 48 -3.928 -3.854 -3.627 273 HB2 HIS 48 HB2 HIS 48 -6.156 -4.927 -3.662 274 HB3 HIS 48 HB3 HIS 48 -6.815 -3.516 -4.483 275 HD2 HIS 48 HD2 HIS 48 -3.772 -5.918 -5.360 276 HE1 HIS 48 HE1 HIS 48 -6.093 -5.229 -8.841 277 HE2 HIS 48 HE2 HIS 48 -4.192 -6.549 -7.827 278 H ILE 49 H ILE 49 -3.133 -3.176 -5.619 279 HA ILE 49 HA ILE 49 -2.689 -0.495 -5.947 280 HB ILE 49 HB ILE 49 -1.288 -2.361 -6.892 281 HG12 ILE 49 HG12 ILE 49 -0.699 -1.088 -9.014 282 HG13 ILE 49 HG11 ILE 49 -2.119 -0.115 -8.701 283 HG21 ILE 49 HG21 ILE 49 -3.023 -3.698 -7.936 284 HG22 ILE 49 HG22 ILE 49 -1.814 -3.231 -9.124 285 HG23 ILE 49 HG23 ILE 49 -3.377 -2.398 -9.072 286 HD11 ILE 49 HD11 ILE 49 -1.246 0.661 -6.629 287 HD12 ILE 49 HD31 ILE 49 0.131 -0.430 -6.780 288 HD13 ILE 49 HD21 ILE 49 -0.057 0.942 -7.902 289 H MET 50 H MET 50 -3.456 1.056 -7.232 290 HA MET 50 HA MET 50 -4.918 2.321 -8.364 291 HB2 MET 50 HB2 MET 50 -3.846 1.018 -10.181 292 HB3 MET 50 HB3 MET 50 -5.139 -0.156 -10.093 293 HG2 MET 50 HG2 MET 50 -6.739 1.545 -10.816 294 HG3 MET 50 HG3 MET 50 -5.458 2.751 -10.847 295 HE1 MET 50 HE1 MET 50 -7.008 -0.410 -12.538 296 HE2 MET 50 HE2 MET 50 -5.447 -1.035 -12.007 297 HE3 MET 50 HE3 MET 50 -5.782 -0.849 -13.726 298 H ASP 51 H ASP 51 -6.116 1.374 -6.167 299 HA ASP 51 HA ASP 51 -8.901 1.234 -6.988 300 HB2 ASP 51 HB2 ASP 51 -8.040 -1.124 -6.468 301 HB3 ASP 51 HB3 ASP 51 -7.780 -0.573 -4.817 302 H LEU 52 H LEU 52 -10.033 1.200 -4.454 303 HA LEU 52 HA LEU 52 -9.520 3.824 -3.472 304 HB2 LEU 52 HB2 LEU 52 -11.228 1.548 -2.517 305 HB3 LEU 52 HB3 LEU 52 -11.158 3.108 -1.712 306 HG LEU 52 HG LEU 52 -11.934 2.834 -4.612 307 HD11 LEU 52 HD11 LEU 52 -13.518 1.555 -3.246 308 HD12 LEU 52 HD12 LEU 52 -14.257 3.036 -3.855 309 HD13 LEU 52 HD13 LEU 52 -13.729 2.941 -2.181 310 HD21 LEU 52 HD21 LEU 52 -11.176 5.040 -3.928 311 HD22 LEU 52 HD22 LEU 52 -12.245 4.974 -2.528 312 HD23 LEU 52 HD23 LEU 52 -12.935 5.060 -4.144 313 H CYS 53 H CYS 53 -8.508 4.453 -1.559 314 HA CYS 53 HA CYS 53 -6.572 2.643 -0.419 315 HB2 CYS 53 HB2 CYS 53 -7.326 5.423 0.505 316 HB3 CYS 53 HB3 CYS 53 -5.846 4.554 0.882 317 H ILE 54 H ILE 54 -6.436 3.127 2.134 318 HA ILE 54 HA ILE 54 -8.078 1.435 3.526 319 HB ILE 54 HB ILE 54 -7.519 3.040 5.529 320 HG12 ILE 54 HG12 ILE 54 -5.657 4.044 3.346 321 HG13 ILE 54 HG11 ILE 54 -6.819 4.962 4.197 322 HG21 ILE 54 HG21 ILE 54 -5.483 1.404 4.075 323 HG22 ILE 54 HG22 ILE 54 -6.628 0.864 5.322 324 HG23 ILE 54 HG23 ILE 54 -5.338 2.004 5.732 325 HD11 ILE 54 HD11 ILE 54 -4.409 3.733 5.474 326 HD12 ILE 54 HD31 ILE 54 -4.630 5.431 5.016 327 HD13 ILE 54 HD21 ILE 54 -5.651 4.715 6.274 328 H GLU 55 H GLU 55 -8.319 4.749 4.520 329 HA GLU 55 HA GLU 55 -11.004 4.451 5.322 330 HB2 GLU 55 HB2 GLU 55 -9.366 6.940 4.974 331 HB3 GLU 55 HB3 GLU 55 -10.842 6.787 5.898 332 HG2 GLU 55 HG2 GLU 55 -9.648 5.107 7.365 333 HG3 GLU 55 HG3 GLU 55 -8.210 5.495 6.477 334 H CYS 56 H CYS 56 -9.432 5.411 2.433 335 HA CYS 56 HA CYS 56 -11.155 7.418 1.523 336 HB2 CYS 56 HB2 CYS 56 -9.571 5.443 -0.106 337 HB3 CYS 56 HB3 CYS 56 -10.321 6.893 -0.753 338 H GLN 57 H GLN 57 -11.402 3.924 0.988 339 HA GLN 57 HA GLN 57 -13.704 4.038 -0.608 340 HB2 GLN 57 HB2 GLN 57 -14.127 1.683 0.131 341 HB3 GLN 57 HB3 GLN 57 -12.538 1.980 -0.558 342 HG2 GLN 57 HG2 GLN 57 -11.572 2.027 1.658 343 HG3 GLN 57 HG3 GLN 57 -13.151 1.782 2.386 344 HE21 GLN 57 HE21 GLN 57 -10.730 0.206 2.512 345 HE22 GLN 57 HE22 GLN 57 -11.123 -1.385 1.996 346 H ALA 58 H ALA 58 -13.428 3.793 2.891 347 HA ALA 58 HA ALA 58 -16.233 3.788 3.420 348 HB1 ALA 58 HB1 ALA 58 -15.614 4.218 5.729 349 HB2 ALA 58 HB2 ALA 58 -13.978 4.642 5.230 350 HB3 ALA 58 HB3 ALA 58 -14.551 2.985 5.044 351 H ASN 59 H ASN 59 -13.802 6.208 3.086 352 HA ASN 59 HA ASN 59 -14.969 8.492 4.173 353 HB2 ASN 59 HB2 ASN 59 -12.590 8.028 3.372 354 HB3 ASN 59 HB3 ASN 59 -13.187 8.389 1.764 355 HD21 ASN 59 HD21 ASN 59 -12.167 9.616 4.778 356 HD22 ASN 59 HD22 ASN 59 -12.246 11.287 4.335 357 H GLN 60 H GLN 60 -15.136 6.997 1.042 358 HA GLN 60 HA GLN 60 -16.555 7.104 -0.665 359 HB2 GLN 60 HB2 GLN 60 -18.436 7.837 0.723 360 HB3 GLN 60 HB3 GLN 60 -17.836 9.486 0.695 361 HG2 GLN 60 HG2 GLN 60 -18.232 9.586 -1.717 362 HG3 GLN 60 HG3 GLN 60 -18.832 7.933 -1.681 363 HE21 GLN 60 HE21 GLN 60 -20.130 10.444 -2.440 364 HE22 GLN 60 HE22 GLN 60 -21.548 10.568 -1.478 365 H ALA 61 H ALA 61 -14.874 7.385 -1.924 366 HA ALA 61 HA ALA 61 -13.916 10.069 -2.444 367 HB1 ALA 61 HB1 ALA 61 -12.211 9.016 -3.818 368 HB2 ALA 61 HB2 ALA 61 -13.029 7.462 -3.676 369 HB3 ALA 61 HB3 ALA 61 -12.296 8.205 -2.250 370 H SER 62 H SER 62 -15.640 11.036 -3.425 371 HA SER 62 HA SER 62 -16.756 9.780 -5.784 372 HB2 SER 62 HB2 SER 62 -17.535 12.330 -4.362 373 HB3 SER 62 HB3 SER 62 -18.401 11.619 -5.727 374 HG SER 62 HG SER 62 -17.929 9.813 -3.814 375 H ALA 63 H ALA 63 -15.188 9.853 -7.172 376 HA ALA 63 HA ALA 63 -14.888 12.031 -8.886 377 HB1 ALA 63 HB1 ALA 63 -12.406 12.338 -8.589 378 HB2 ALA 63 HB2 ALA 63 -12.510 11.404 -7.092 379 HB3 ALA 63 HB3 ALA 63 -13.341 12.954 -7.226 380 H THR 64 H THR 64 -12.485 9.673 -7.802 381 HA THR 64 HA THR 64 -13.524 7.775 -9.760 382 HB THR 64 HB THR 64 -10.559 8.099 -9.162 383 HG1 THR 64 HG3 THR 64 -10.403 9.333 -10.974 384 HG21 THR 64 HG21 THR 64 -12.083 6.678 -11.345 385 HG22 THR 64 HG22 THR 64 -11.292 5.927 -9.963 386 HG23 THR 64 HG23 THR 64 -10.325 6.751 -11.191 387 H SER 65 H SER 65 -14.169 5.999 -8.665 388 HA SER 65 HA SER 65 -12.766 5.253 -6.151 389 HB2 SER 65 HB2 SER 65 -15.439 4.382 -7.241 390 HB3 SER 65 HB3 SER 65 -14.756 3.906 -5.677 391 HG SER 65 HG SER 65 -14.790 6.612 -5.974 392 H GLU 66 H GLU 66 -13.077 4.613 -9.374 393 HA GLU 66 HA GLU 66 -12.473 1.904 -9.666 394 HB2 GLU 66 HB2 GLU 66 -12.939 3.570 -11.457 395 HB3 GLU 66 HB3 GLU 66 -11.422 4.331 -11.103 396 HG2 GLU 66 HG2 GLU 66 -10.198 2.358 -11.826 397 HG3 GLU 66 HG3 GLU 66 -11.721 1.537 -12.183 398 H GLU 67 H GLU 67 -10.566 4.767 -8.918 399 HA GLU 67 HA GLU 67 -8.622 3.301 -7.473 400 HB2 GLU 67 HB2 GLU 67 -6.765 4.423 -8.652 401 HB3 GLU 67 HB3 GLU 67 -7.652 3.355 -9.734 402 HG2 GLU 67 HG2 GLU 67 -8.736 5.174 -10.790 403 HG3 GLU 67 HG3 GLU 67 -8.149 6.313 -9.596 404 H CYS 68 H CYS 68 -8.265 4.550 -5.746 405 HA CYS 68 HA CYS 68 -9.300 7.158 -5.435 406 HB2 CYS 68 HB2 CYS 68 -8.637 5.821 -3.504 407 HB3 CYS 68 HB3 CYS 68 -6.960 5.821 -3.982 408 H THR 69 H THR 69 -5.795 6.707 -5.272 409 HA THR 69 HA THR 69 -5.417 7.934 -7.864 410 HB THR 69 HB THR 69 -3.578 9.336 -6.935 411 HG1 THR 69 HG3 THR 69 -4.630 9.589 -4.462 412 HG21 THR 69 HG21 THR 69 -6.334 10.022 -5.909 413 HG22 THR 69 HG22 THR 69 -5.691 10.392 -7.505 414 HG23 THR 69 HG23 THR 69 -5.003 11.168 -6.075 415 H VAL 70 H VAL 70 -3.321 7.297 -8.787 416 HA VAL 70 HA VAL 70 -1.767 5.430 -7.165 417 HB VAL 70 HB VAL 70 -3.485 4.067 -8.333 418 HG11 VAL 70 HG11 VAL 70 -2.161 5.044 -10.839 419 HG12 VAL 70 HG12 VAL 70 -3.806 5.397 -10.305 420 HG13 VAL 70 HG13 VAL 70 -3.354 3.744 -10.754 421 HG21 VAL 70 HG21 VAL 70 -0.670 3.603 -9.286 422 HG22 VAL 70 HG22 VAL 70 -1.959 2.401 -9.250 423 HG23 VAL 70 HG23 VAL 70 -1.347 3.083 -7.745 424 H ALA 71 H ALA 71 0.376 5.277 -7.678 425 HA ALA 71 HA ALA 71 1.307 6.758 -10.018 426 HB1 ALA 71 HB1 ALA 71 2.412 7.001 -7.223 427 HB2 ALA 71 HB2 ALA 71 1.470 8.233 -8.067 428 HB3 ALA 71 HB3 ALA 71 3.063 7.776 -8.670 429 H TRP 72 H TRP 72 3.059 5.920 -10.998 430 HA TRP 72 HA TRP 72 3.883 3.293 -10.046 431 HB2 TRP 72 HB2 TRP 72 4.536 4.578 -12.651 432 HB3 TRP 72 HB3 TRP 72 4.612 2.891 -12.243 433 HD1 TRP 72 HD TRP 72 2.649 4.854 -14.426 434 HE1 TRP 72 HE1 TRP 72 0.249 4.007 -14.728 435 HE3 TRP 72 HE3 TRP 72 2.377 1.840 -10.382 436 HZ2 TRP 72 HZ2 TRP 72 -1.551 2.258 -13.406 437 HZ3 TRP 72 HZ3 TRP 72 0.246 0.583 -9.954 438 HH2 TRP 72 HH TRP 72 -1.648 0.816 -11.448 439 H GLY 73 H GLY 73 5.983 2.896 -9.626 440 HA2 GLY 73 HA2 GLY 73 7.758 5.209 -9.401 441 HA3 GLY 73 HA3 GLY 73 7.874 3.676 -8.526 442 H VAL 74 H VAL 74 9.640 5.313 -10.464 443 HA VAL 74 HA VAL 74 10.086 3.754 -12.780 444 HB VAL 74 HB VAL 74 12.111 5.463 -11.276 445 HG11 VAL 74 HG11 VAL 74 12.110 4.567 -14.155 446 HG12 VAL 74 HG12 VAL 74 13.172 3.963 -12.884 447 HG13 VAL 74 HG13 VAL 74 13.291 5.646 -13.410 448 HG21 VAL 74 HG21 VAL 74 10.096 6.716 -11.897 449 HG22 VAL 74 HG22 VAL 74 10.303 6.214 -13.568 450 HG23 VAL 74 HG23 VAL 74 11.504 7.261 -12.806 451 H CYS 75 H CYS 75 10.871 3.341 -9.528 452 HA CYS 75 HA CYS 75 13.046 1.504 -9.782 453 HB2 CYS 75 HB2 CYS 75 12.691 3.001 -7.847 454 HB3 CYS 75 HB3 CYS 75 11.237 2.117 -7.424 455 H ASN 76 H ASN 76 10.185 1.038 -10.991 456 HA ASN 76 HA ASN 76 8.856 -0.664 -11.530 457 HB2 ASN 76 HB2 ASN 76 11.031 -1.837 -11.921 458 HB3 ASN 76 HB3 ASN 76 10.976 -2.425 -10.265 459 HD21 ASN 76 HD21 ASN 76 9.504 -2.644 -13.453 460 HD22 ASN 76 HD22 ASN 76 8.730 -4.166 -13.176 461 H HIS 77 H HIS 77 8.367 0.718 -9.329 462 HA HIS 77 HA HIS 77 7.052 -1.270 -7.651 463 HB2 HIS 77 HB2 HIS 77 8.551 1.139 -6.853 464 HB3 HIS 77 HB3 HIS 77 7.088 0.778 -5.934 465 HD2 HIS 77 HD2 HIS 77 7.488 -2.481 -5.741 466 HE1 HIS 77 HE1 HIS 77 11.080 -1.462 -3.748 467 HE2 HIS 77 HE2 HIS 77 9.463 -3.309 -4.323 468 H ALA 78 H ALA 78 4.967 -0.555 -6.701 469 HA ALA 78 HA ALA 78 3.754 1.667 -8.117 470 HB1 ALA 78 HB1 ALA 78 1.808 0.282 -8.662 471 HB2 ALA 78 HB2 ALA 78 2.637 -1.132 -8.021 472 HB3 ALA 78 HB3 ALA 78 3.266 -0.313 -9.454 473 H PHE 79 H PHE 79 2.570 2.858 -6.751 474 HA PHE 79 HA PHE 79 1.374 1.606 -4.404 475 HB2 PHE 79 HB2 PHE 79 3.138 4.051 -4.331 476 HB3 PHE 79 HB3 PHE 79 2.178 3.492 -2.971 477 HD1 PHE 79 HD2 PHE 79 2.814 1.222 -1.928 478 HD2 PHE 79 HD3 PHE 79 5.239 3.189 -4.826 479 HE1 PHE 79 HE2 PHE 79 4.777 -0.211 -1.303 480 HE2 PHE 79 HE1 PHE 79 7.141 1.771 -4.202 481 HZ PHE 79 HZ PHE 79 6.898 0.085 -2.449 482 H HIS 80 H HIS 80 -0.112 3.317 -3.312 483 HA HIS 80 HA HIS 80 -1.671 4.611 -5.338 484 HB2 HIS 80 HB2 HIS 80 -1.701 4.527 -2.355 485 HB3 HIS 80 HB3 HIS 80 -2.641 5.730 -3.203 486 HD2 HIS 80 HD2 HIS 80 -4.002 3.809 -5.489 487 HE1 HIS 80 HE1 HIS 80 -5.421 1.609 -2.182 488 HE2 HIS 80 HE2 HIS 80 -5.953 2.559 -4.350 489 H PHE 81 H PHE 81 -1.590 6.730 -5.897 490 HA PHE 81 HA PHE 81 0.739 8.166 -5.370 491 HB2 PHE 81 HB2 PHE 81 -0.636 8.605 -7.353 492 HB3 PHE 81 HB3 PHE 81 -1.929 9.141 -6.288 493 HD1 PHE 81 HD3 PHE 81 1.635 9.931 -7.080 494 HD2 PHE 81 HD2 PHE 81 -2.179 11.409 -5.899 495 HE1 PHE 81 HE1 PHE 81 2.496 12.226 -7.190 496 HE2 PHE 81 HE2 PHE 81 -1.318 13.706 -6.004 497 HZ PHE 81 HZ PHE 81 1.021 14.119 -6.651 498 H HIS 82 H HIS 82 -2.432 8.254 -3.938 499 HA HIS 82 HA HIS 82 -2.157 10.425 -2.189 500 HB2 HIS 82 HB2 HIS 82 -4.278 9.239 -2.641 501 HB3 HIS 82 HB3 HIS 82 -3.665 7.830 -1.800 502 HD2 HIS 82 HD2 HIS 82 -2.913 10.998 0.150 503 HE1 HIS 82 HE1 HIS 82 -6.523 9.430 1.758 504 HE2 HIS 82 HE2 HIS 82 -4.798 11.265 1.924 505 H CYS 83 H CYS 83 -1.470 6.984 -1.666 506 HA CYS 83 HA CYS 83 -0.610 7.314 0.987 507 HB2 CYS 83 HB2 CYS 83 -0.098 4.960 -0.862 508 HB3 CYS 83 HB3 CYS 83 -0.020 5.049 0.883 509 H ILE 84 H ILE 84 1.085 6.925 -2.121 510 HA ILE 84 HA ILE 84 3.617 6.926 -0.898 511 HB ILE 84 HB ILE 84 3.219 6.044 -3.255 512 HG12 ILE 84 HG12 ILE 84 5.344 6.960 -4.192 513 HG13 ILE 84 HG11 ILE 84 5.403 8.071 -2.843 514 HG21 ILE 84 HG21 ILE 84 3.331 8.940 -4.035 515 HG22 ILE 84 HG22 ILE 84 1.887 7.934 -3.938 516 HG23 ILE 84 HG23 ILE 84 3.162 7.518 -5.105 517 HD11 ILE 84 HD11 ILE 84 5.443 5.071 -2.623 518 HD12 ILE 84 HD31 ILE 84 6.837 6.134 -2.465 519 HD13 ILE 84 HD21 ILE 84 5.544 6.205 -1.267 520 H SER 85 H SER 85 1.575 9.513 -2.039 521 HA SER 85 HA SER 85 3.371 11.695 -1.867 522 HB2 SER 85 HB2 SER 85 0.485 11.557 -1.087 523 HB3 SER 85 HB3 SER 85 1.363 13.065 -1.307 524 HG SER 85 HG SER 85 0.814 11.096 -3.286 525 H ARG 86 H ARG 86 1.256 10.188 0.569 526 HA ARG 86 HA ARG 86 1.828 11.693 2.767 527 HB2 ARG 86 HB2 ARG 86 -0.066 10.298 2.672 528 HB3 ARG 86 HB3 ARG 86 0.860 9.017 1.987 529 HG2 ARG 86 HG2 ARG 86 0.074 8.517 3.975 530 HG3 ARG 86 HG3 ARG 86 1.851 8.488 4.031 531 HD2 ARG 86 HD2 ARG 86 1.728 10.765 5.159 532 HD3 ARG 86 HD3 ARG 86 -0.024 10.568 5.265 533 HE ARG 86 HE ARG 86 0.669 8.407 6.531 534 HH11 ARG 86 HH11 ARG 86 2.193 11.568 6.775 535 HH12 ARG 86 HH12 ARG 86 2.807 11.322 8.335 536 HH21 ARG 86 HH21 ARG 86 1.470 8.054 8.690 537 HH22 ARG 86 HH22 ARG 86 2.339 9.288 9.476 538 H TRP 87 H TRP 87 3.271 8.727 1.472 539 HA TRP 87 HA TRP 87 5.159 8.242 3.528 540 HB2 TRP 87 HB2 TRP 87 4.471 6.526 1.946 541 HB3 TRP 87 HB3 TRP 87 5.061 7.496 0.607 542 HD1 TRP 87 HD TRP 87 7.450 7.004 -0.170 543 HE1 TRP 87 HE1 TRP 87 9.433 5.741 0.827 544 HE3 TRP 87 HE3 TRP 87 5.519 5.998 4.421 545 HZ2 TRP 87 HZ2 TRP 87 10.122 4.478 3.276 546 HZ3 TRP 87 HZ3 TRP 87 6.908 4.750 6.068 547 HH2 TRP 87 HH TRP 87 9.162 4.010 5.488 548 H LEU 88 H LEU 88 5.365 9.903 0.451 549 HA LEU 88 HA LEU 88 8.091 10.477 0.725 550 HB2 LEU 88 HB2 LEU 88 5.997 11.538 -1.112 551 HB3 LEU 88 HB3 LEU 88 7.691 11.967 -1.252 552 HG LEU 88 HG LEU 88 6.681 9.135 -1.365 553 HD11 LEU 88 HD11 LEU 88 7.388 10.991 -3.617 554 HD12 LEU 88 HD12 LEU 88 5.772 10.409 -3.154 555 HD13 LEU 88 HD13 LEU 88 6.983 9.268 -3.722 556 HD21 LEU 88 HD21 LEU 88 9.033 9.320 -0.696 557 HD22 LEU 88 HD22 LEU 88 9.368 10.353 -2.080 558 HD23 LEU 88 HD23 LEU 88 8.938 8.685 -2.330 559 H LYS 89 H LYS 89 5.285 12.074 1.860 560 HA LYS 89 HA LYS 89 6.388 14.633 2.278 561 HB2 LYS 89 HB2 LYS 89 4.300 13.136 3.882 562 HB3 LYS 89 HB3 LYS 89 4.736 14.814 4.173 563 HG2 LYS 89 HG2 LYS 89 3.964 15.414 1.939 564 HG3 LYS 89 HG3 LYS 89 3.567 13.722 1.621 565 HD2 LYS 89 HD2 LYS 89 1.523 14.693 2.206 566 HD3 LYS 89 HD3 LYS 89 2.054 13.882 3.676 567 HE2 LYS 89 HE2 LYS 89 1.211 16.052 4.250 568 HE3 LYS 89 HE1 LYS 89 2.956 16.057 4.488 569 HZ1 LYS 89 HZ1 LYS 89 1.475 17.190 2.174 570 HZ2 LYS 89 HZ2 LYS 89 3.148 17.136 2.260 571 HZ3 LYS 89 HZ3 LYS 89 2.292 18.085 3.349 572 H THR 90 H THR 90 6.502 11.627 4.113 573 HA THR 90 HA THR 90 8.294 12.974 5.982 574 HB THR 90 HB THR 90 6.430 11.935 7.046 575 HG1 THR 90 HG3 THR 90 8.612 11.806 7.999 576 HG21 THR 90 HG21 THR 90 7.361 9.325 5.840 577 HG22 THR 90 HG22 THR 90 5.879 10.191 5.455 578 HG23 THR 90 HG23 THR 90 6.096 9.483 7.056 579 H ARG 91 H ARG 91 8.594 10.850 3.302 580 HA ARG 91 HA ARG 91 11.281 10.093 4.084 581 HB2 ARG 91 HB2 ARG 91 9.250 8.094 3.033 582 HB3 ARG 91 HB3 ARG 91 10.948 7.834 3.263 583 HG2 ARG 91 HG2 ARG 91 9.072 8.504 5.499 584 HG3 ARG 91 HG3 ARG 91 9.561 6.880 5.055 585 HD2 ARG 91 HD2 ARG 91 11.869 7.331 5.476 586 HD3 ARG 91 HD3 ARG 91 11.548 9.031 5.764 587 HE ARG 91 HE ARG 91 10.271 7.054 7.492 588 HH11 ARG 91 HH11 ARG 91 12.823 9.513 7.092 589 HH12 ARG 91 HH12 ARG 91 13.076 9.698 8.762 590 HH21 ARG 91 HH21 ARG 91 10.695 7.306 9.802 591 HH22 ARG 91 HH22 ARG 91 11.883 8.409 10.320 592 H GLN 92 H GLN 92 12.560 9.460 2.262 593 HA GLN 92 HA GLN 92 11.512 10.616 -0.229 594 HB2 GLN 92 HB2 GLN 92 14.200 10.780 1.040 595 HB3 GLN 92 HB3 GLN 92 13.879 11.264 -0.625 596 HG2 GLN 92 HG2 GLN 92 12.342 12.271 1.709 597 HG3 GLN 92 HG3 GLN 92 13.713 13.188 1.203 598 HE21 GLN 92 HE21 GLN 92 11.010 13.981 1.345 599 HE22 GLN 92 HE22 GLN 92 10.458 14.417 -0.230 600 H VAL 93 H VAL 93 12.171 7.817 1.036 601 HA VAL 93 HA VAL 93 13.326 6.675 -1.423 602 HB VAL 93 HB VAL 93 14.393 4.903 0.117 603 HG11 VAL 93 HG11 VAL 93 15.293 7.783 0.342 604 HG12 VAL 93 HG12 VAL 93 15.732 6.633 -0.935 605 HG13 VAL 93 HG13 VAL 93 16.275 6.363 0.718 606 HG21 VAL 93 HG21 VAL 93 14.734 5.587 2.449 607 HG22 VAL 93 HG22 VAL 93 12.997 5.454 2.084 608 HG23 VAL 93 HG23 VAL 93 13.777 7.034 2.125 609 H CYS 94 H CYS 94 12.703 4.489 -1.864 610 HA CYS 94 HA CYS 94 10.084 3.798 -1.737 611 HB2 CYS 94 HB2 CYS 94 12.483 2.009 -1.724 612 HB3 CYS 94 HB3 CYS 94 10.859 1.406 -1.988 613 HA PRO 95 HA PRO 95 9.443 2.630 2.541 614 HB2 PRO 95 HB2 PRO 95 7.078 1.326 2.183 615 HB3 PRO 95 HB3 PRO 95 7.208 3.089 2.204 616 HG2 PRO 95 HG2 PRO 95 7.044 1.227 -0.135 617 HG3 PRO 95 HG3 PRO 95 6.231 2.782 0.115 618 HD2 PRO 95 HD2 PRO 95 8.440 2.514 -1.419 619 HD3 PRO 95 HD3 PRO 95 8.126 3.996 -0.512 620 H LEU 96 H LEU 96 9.783 0.618 -0.109 621 HA LEU 96 HA LEU 96 9.835 -1.848 1.512 622 HB2 LEU 96 HB2 LEU 96 9.880 -1.577 -1.496 623 HB3 LEU 96 HB3 LEU 96 9.665 -3.048 -0.585 624 HG LEU 96 HG LEU 96 7.737 -0.773 -0.760 625 HD11 LEU 96 HD11 LEU 96 7.593 -3.564 -1.862 626 HD12 LEU 96 HD12 LEU 96 7.935 -2.092 -2.766 627 HD13 LEU 96 HD13 LEU 96 6.346 -2.311 -2.025 628 HD21 LEU 96 HD21 LEU 96 7.601 -1.804 1.442 629 HD22 LEU 96 HD22 LEU 96 7.521 -3.405 0.711 630 HD23 LEU 96 HD23 LEU 96 6.192 -2.264 0.483 631 H ASP 97 H ASP 97 11.678 0.071 -0.809 632 HA ASP 97 HA ASP 97 13.882 -1.843 -0.751 633 HB2 ASP 97 HB2 ASP 97 13.326 0.537 -2.469 634 HB3 ASP 97 HB3 ASP 97 14.863 -0.315 -2.536 635 H ASN 98 H ASN 98 13.171 1.359 0.468 636 HA ASN 98 HA ASN 98 14.440 3.024 1.392 637 HB2 ASN 98 HB2 ASN 98 15.086 1.157 2.949 638 HB3 ASN 98 HB3 ASN 98 16.471 0.837 1.910 639 HD21 ASN 98 HD21 ASN 98 17.900 1.213 3.629 640 HD22 ASN 98 HD22 ASN 98 18.256 2.799 4.215 641 H ARG 99 H ARG 99 14.477 2.597 -1.304 642 HA ARG 99 HA ARG 99 17.100 3.369 -2.318 643 HB2 ARG 99 HB2 ARG 99 16.197 1.200 -3.149 644 HB3 ARG 99 HB3 ARG 99 14.669 2.078 -3.247 645 HG2 ARG 99 HG2 ARG 99 15.356 1.709 -5.385 646 HG3 ARG 99 HG3 ARG 99 15.449 3.410 -4.927 647 HD2 ARG 99 HD2 ARG 99 17.866 3.317 -4.759 648 HD3 ARG 99 HD3 ARG 99 17.851 1.563 -5.014 649 HE ARG 99 HE ARG 99 17.194 1.898 -7.234 650 HH11 ARG 99 HH11 ARG 99 18.331 4.837 -5.607 651 HH12 ARG 99 HH12 ARG 99 18.518 5.736 -7.040 652 HH21 ARG 99 HH21 ARG 99 17.448 3.112 -9.188 653 HH22 ARG 99 HH22 ARG 99 17.988 4.742 -9.148 654 H GLU 100 H GLU 100 16.844 5.184 -3.725 655 HA GLU 100 HA GLU 100 14.914 7.057 -2.771 656 HB2 GLU 100 HB2 GLU 100 17.065 7.870 -3.658 657 HB3 GLU 100 HB3 GLU 100 16.587 7.358 -5.275 658 HG2 GLU 100 HG2 GLU 100 14.743 8.929 -5.264 659 HG3 GLU 100 HG3 GLU 100 15.136 9.416 -3.621 660 H TRP 101 H TRP 101 12.877 7.477 -3.294 661 HA TRP 101 HA TRP 101 11.681 5.848 -5.270 662 HB2 TRP 101 HB2 TRP 101 10.335 6.163 -3.377 663 HB3 TRP 101 HB3 TRP 101 10.617 7.878 -3.293 664 HD1 TRP 101 HD TRP 101 9.159 9.428 -4.877 665 HE1 TRP 101 HE1 TRP 101 7.022 9.016 -6.236 666 HE3 TRP 101 HE3 TRP 101 9.115 4.397 -4.677 667 HZ2 TRP 101 HZ2 TRP 101 5.511 6.841 -7.115 668 HZ3 TRP 101 HZ3 TRP 101 7.258 3.166 -5.820 669 HH2 TRP 101 HH TRP 101 5.492 4.400 -7.005 670 H GLU 102 H GLU 102 11.359 6.395 -7.333 671 HA GLU 102 HA GLU 102 11.271 9.235 -8.040 672 HB2 GLU 102 HB2 GLU 102 12.528 6.959 -9.590 673 HB3 GLU 102 HB3 GLU 102 12.277 8.572 -10.252 674 HG2 GLU 102 HG2 GLU 102 13.742 9.513 -8.540 675 HG3 GLU 102 HG3 GLU 102 13.966 7.917 -7.845 676 H PHE 103 H PHE 103 9.611 9.858 -9.350 677 HA PHE 103 HA PHE 103 7.417 7.982 -9.628 678 HB2 PHE 103 HB2 PHE 103 7.706 10.920 -10.197 679 HB3 PHE 103 HB3 PHE 103 6.289 10.038 -10.699 680 HD1 PHE 103 HD2 PHE 103 4.855 9.017 -8.976 681 HD2 PHE 103 HD3 PHE 103 7.995 11.678 -8.051 682 HE1 PHE 103 HE2 PHE 103 3.803 9.455 -6.787 683 HE2 PHE 103 HE1 PHE 103 6.966 12.152 -5.837 684 HZ PHE 103 HZ PHE 103 4.858 11.027 -5.218 685 H GLN 104 H GLN 104 7.242 6.713 -11.320 686 HA GLN 104 HA GLN 104 8.417 7.345 -13.873 687 HB2 GLN 104 HB2 GLN 104 8.044 4.982 -13.022 688 HB3 GLN 104 HB3 GLN 104 6.338 5.280 -13.148 689 HG2 GLN 104 HG2 GLN 104 7.068 4.026 -15.063 690 HG3 GLN 104 HG3 GLN 104 6.551 5.641 -15.560 691 HE21 GLN 104 HE21 GLN 104 8.022 7.039 -16.447 692 HE22 GLN 104 HE22 GLN 104 9.645 6.594 -16.815 693 H LYS 105 H LYS 105 5.198 7.152 -12.457 694 HA LYS 105 HA LYS 105 4.238 9.315 -14.146 695 HB2 LYS 105 HB2 LYS 105 3.694 7.136 -15.312 696 HB3 LYS 105 HB3 LYS 105 2.800 6.685 -13.863 697 HG2 LYS 105 HG2 LYS 105 1.303 8.601 -14.196 698 HG3 LYS 105 HG3 LYS 105 2.165 9.005 -15.680 699 HD2 LYS 105 HD2 LYS 105 0.671 6.429 -15.140 700 HD3 LYS 105 HD3 LYS 105 0.086 7.762 -16.127 701 HE2 LYS 105 HE2 LYS 105 2.569 6.124 -16.694 702 HE3 LYS 105 HE1 LYS 105 1.001 5.880 -17.442 703 HZ1 LYS 105 HZ1 LYS 105 1.182 8.167 -18.373 704 HZ2 LYS 105 HZ2 LYS 105 2.363 7.093 -18.879 705 HZ3 LYS 105 HZ3 LYS 105 2.772 8.263 -17.750 706 H TYR 106 H TYR 106 3.142 10.646 -12.784 707 HA TYR 106 HA TYR 106 2.145 9.479 -10.290 708 HB2 TYR 106 HB2 TYR 106 2.089 11.842 -9.422 709 HB3 TYR 106 HB3 TYR 106 3.692 11.216 -9.759 710 HD1 TYR 106 HD2 TYR 106 1.059 13.541 -10.920 711 HD2 TYR 106 HD3 TYR 106 5.076 12.235 -11.411 712 HE1 TYR 106 HE2 TYR 106 1.525 15.512 -12.319 713 HE2 TYR 106 HE1 TYR 106 5.554 14.201 -12.805 714 HH TYR 106 HH TYR 106 4.328 15.773 -14.214 715 H GLY 107 H GLY 107 1.132 10.553 -13.247 716 HA2 GLY 107 HA2 GLY 107 -1.474 9.883 -12.976 717 HA3 GLY 107 HA3 GLY 107 -1.426 11.567 -12.460 718 H HIS 108 H HIS 108 -2.791 10.501 -14.766 719 HA HIS 108 HA HIS 108 -1.202 11.754 -16.861 720 HB2 HIS 108 HB2 HIS 108 -2.694 10.589 -18.495 721 HB3 HIS 108 HB3 HIS 108 -1.784 9.490 -17.466 722 HD2 HIS 108 HD2 HIS 108 -5.329 10.015 -18.643 723 HE1 HIS 108 HE1 HIS 108 -5.563 7.622 -15.146 724 HE2 HIS 108 HE2 HIS 108 -6.649 8.245 -17.377 Start of MODEL 11 1 H1 GLY 9 H GLY 9 24.468 3.385 25.919 2 HA2 GLY 9 HA2 GLY 9 23.242 3.985 23.305 3 HA3 GLY 9 HA3 GLY 9 24.864 4.502 23.731 4 H GLY 10 H GLY 10 23.515 2.466 21.767 5 HA2 GLY 10 HA2 GLY 10 24.545 0.717 20.663 6 HA3 GLY 10 HA3 GLY 10 25.698 0.581 21.983 7 H GLY 11 H GLY 11 24.856 -0.293 24.036 8 HA2 GLY 11 HA2 GLY 11 23.565 -1.824 25.236 9 HA3 GLY 11 HA3 GLY 11 22.520 -2.005 23.827 10 H GLY 12 H GLY 12 25.904 -2.227 23.337 11 HA2 GLY 12 HA2 GLY 12 27.300 -4.085 23.206 12 HA3 GLY 12 HA3 GLY 12 25.921 -5.126 23.550 13 H THR 13 H THR 13 26.697 -6.436 21.784 14 HA THR 13 HA THR 13 25.950 -5.290 19.197 15 HB THR 13 HB THR 13 28.314 -5.707 19.169 16 HG1 THR 13 HG3 THR 13 28.443 -7.207 17.483 17 HG21 THR 13 HG21 THR 13 28.449 -7.324 21.028 18 HG22 THR 13 HG22 THR 13 29.316 -7.898 19.604 19 HG23 THR 13 HG23 THR 13 27.722 -8.561 19.998 20 H ASN 14 H ASN 14 24.153 -6.044 18.445 21 HA ASN 14 HA ASN 14 23.109 -8.623 19.386 22 HB2 ASN 14 HB2 ASN 14 21.774 -6.254 18.087 23 HB3 ASN 14 HB3 ASN 14 20.957 -7.792 18.333 24 HD21 ASN 14 HD21 ASN 14 22.272 -4.965 19.848 25 HD22 ASN 14 HD22 ASN 14 21.540 -5.203 21.395 26 H SER 15 H SER 15 24.614 -7.285 16.648 27 HA SER 15 HA SER 15 23.855 -9.612 15.085 28 HB2 SER 15 HB2 SER 15 22.257 -7.749 14.498 29 HB3 SER 15 HB3 SER 15 23.646 -6.793 13.983 30 HG SER 15 HG SER 15 22.835 -7.758 12.186 31 H GLY 16 H GLY 16 25.153 -9.195 12.824 32 HA2 GLY 16 HA2 GLY 16 27.484 -7.862 12.569 33 HA3 GLY 16 HA3 GLY 16 27.925 -9.160 13.672 34 H ALA 17 H ALA 17 27.682 -11.336 12.960 35 HA ALA 17 HA ALA 17 27.693 -11.581 10.033 36 HB1 ALA 17 HB1 ALA 17 29.464 -13.229 10.208 37 HB2 ALA 17 HB2 ALA 17 29.482 -13.058 11.964 38 HB3 ALA 17 HB3 ALA 17 29.975 -11.709 10.941 39 H GLY 18 H GLY 18 26.630 -13.323 9.185 40 HA2 GLY 18 HA2 GLY 18 25.736 -15.498 9.271 41 HA3 GLY 18 HA3 GLY 18 25.680 -15.385 11.021 42 H LYS 19 H LYS 19 24.526 -12.505 9.964 43 HA LYS 19 HA LYS 19 21.848 -13.220 10.604 44 HB2 LYS 19 HB2 LYS 19 22.731 -11.014 11.223 45 HB3 LYS 19 HB3 LYS 19 23.000 -10.630 9.534 46 HG2 LYS 19 HG2 LYS 19 21.022 -9.497 10.322 47 HG3 LYS 19 HG3 LYS 19 20.589 -10.716 9.120 48 HD2 LYS 19 HD2 LYS 19 18.998 -10.798 10.929 49 HD3 LYS 19 HD3 LYS 19 19.980 -12.253 10.983 50 HE2 LYS 19 HE2 LYS 19 21.339 -11.268 12.773 51 HE3 LYS 19 HE1 LYS 19 20.371 -9.792 12.689 52 HZ1 LYS 19 HZ1 LYS 19 19.342 -12.492 13.417 53 HZ2 LYS 19 HZ2 LYS 19 18.423 -11.096 13.327 54 HZ3 LYS 19 HZ3 LYS 19 19.645 -11.225 14.503 55 H LYS 20 H LYS 20 20.362 -13.978 9.310 56 HA LYS 20 HA LYS 20 20.858 -13.914 6.436 57 HB2 LYS 20 HB2 LYS 20 19.050 -15.724 8.044 58 HB3 LYS 20 HB3 LYS 20 19.350 -15.839 6.320 59 HG2 LYS 20 HG2 LYS 20 21.398 -16.247 8.499 60 HG3 LYS 20 HG3 LYS 20 20.598 -17.517 7.585 61 HD2 LYS 20 HD2 LYS 20 22.340 -15.375 6.343 62 HD3 LYS 20 HD3 LYS 20 22.912 -16.971 6.809 63 HE2 LYS 20 HE2 LYS 20 21.245 -17.977 5.283 64 HE3 LYS 20 HE1 LYS 20 20.766 -16.357 4.782 65 HZ1 LYS 20 HZ1 LYS 20 23.472 -17.541 4.448 66 HZ2 LYS 20 HZ2 LYS 20 23.043 -15.992 3.967 67 HZ3 LYS 20 HZ3 LYS 20 22.326 -17.342 3.233 68 H ARG 21 H ARG 21 18.975 -13.789 5.077 69 HA ARG 21 HA ARG 21 17.557 -11.398 5.440 70 HB2 ARG 21 HB2 ARG 21 18.208 -12.637 3.296 71 HB3 ARG 21 HB3 ARG 21 16.820 -13.661 3.603 72 HG2 ARG 21 HG2 ARG 21 16.151 -12.031 2.018 73 HG3 ARG 21 HG3 ARG 21 15.403 -11.586 3.560 74 HD2 ARG 21 HD2 ARG 21 17.075 -9.925 3.969 75 HD3 ARG 21 HD3 ARG 21 18.012 -10.461 2.580 76 HE ARG 21 HE ARG 21 15.395 -9.606 1.851 77 HH11 ARG 21 HH11 ARG 21 18.665 -8.491 2.618 78 HH12 ARG 21 HH12 ARG 21 18.516 -7.034 1.767 79 HH21 ARG 21 HH21 ARG 21 15.188 -7.637 0.674 80 HH22 ARG 21 HH22 ARG 21 16.457 -6.510 0.610 81 H PHE 22 H PHE 22 16.761 -14.773 5.834 82 HA PHE 22 HA PHE 22 15.066 -15.957 6.665 83 HB2 PHE 22 HB2 PHE 22 15.160 -14.387 8.647 84 HB3 PHE 22 HB3 PHE 22 13.921 -13.412 7.863 85 HD1 PHE 22 HD2 PHE 22 14.620 -16.796 9.220 86 HD2 PHE 22 HD3 PHE 22 11.642 -13.964 8.097 87 HE1 PHE 22 HE2 PHE 22 12.894 -18.220 10.212 88 HE2 PHE 22 HE1 PHE 22 9.908 -15.388 9.088 89 HZ PHE 22 HZ PHE 22 10.524 -17.522 10.149 90 H GLU 23 H GLU 23 14.316 -16.545 4.800 91 HA GLU 23 HA GLU 23 12.731 -14.719 3.203 92 HB2 GLU 23 HB2 GLU 23 14.666 -15.837 2.210 93 HB3 GLU 23 HB3 GLU 23 13.956 -17.402 2.576 94 HG2 GLU 23 HG2 GLU 23 12.124 -16.922 1.050 95 HG3 GLU 23 HG3 GLU 23 12.829 -15.347 0.689 96 H VAL 24 H VAL 24 10.648 -15.024 2.711 97 HA VAL 24 HA VAL 24 9.146 -17.073 4.097 98 HB VAL 24 HB VAL 24 8.274 -14.841 2.222 99 HG11 VAL 24 HG11 VAL 24 6.569 -16.674 3.910 100 HG12 VAL 24 HG12 VAL 24 6.710 -16.727 2.162 101 HG13 VAL 24 HG13 VAL 24 5.985 -15.319 2.940 102 HG21 VAL 24 HG21 VAL 24 9.162 -14.033 4.358 103 HG22 VAL 24 HG22 VAL 24 8.033 -15.082 5.220 104 HG23 VAL 24 HG23 VAL 24 7.426 -13.759 4.238 105 H LYS 25 H LYS 25 8.334 -18.857 3.137 106 HA LYS 25 HA LYS 25 9.497 -19.705 0.693 107 HB2 LYS 25 HB2 LYS 25 8.805 -21.190 2.628 108 HB3 LYS 25 HB3 LYS 25 7.148 -20.925 2.138 109 HG2 LYS 25 HG2 LYS 25 7.920 -23.063 1.307 110 HG3 LYS 25 HG3 LYS 25 7.613 -21.958 -0.034 111 HD2 LYS 25 HD2 LYS 25 9.682 -23.180 -0.397 112 HD3 LYS 25 HD3 LYS 25 10.028 -21.470 -0.177 113 HE2 LYS 25 HE2 LYS 25 10.618 -21.934 2.185 114 HE3 LYS 25 HE1 LYS 25 10.313 -23.647 1.909 115 HZ1 LYS 25 HZ1 LYS 25 12.357 -21.994 0.521 116 HZ2 LYS 25 HZ2 LYS 25 12.120 -23.658 0.301 117 HZ3 LYS 25 HZ3 LYS 25 12.663 -23.071 1.780 118 H LYS 26 H LYS 26 8.757 -19.509 -1.337 119 HA LYS 26 HA LYS 26 6.529 -17.742 -1.761 120 HB2 LYS 26 HB2 LYS 26 8.396 -19.055 -3.754 121 HB3 LYS 26 HB3 LYS 26 7.166 -17.872 -4.161 122 HG2 LYS 26 HG2 LYS 26 9.182 -16.667 -4.107 123 HG3 LYS 26 HG3 LYS 26 8.386 -16.287 -2.580 124 HD2 LYS 26 HD2 LYS 26 9.788 -17.960 -1.447 125 HD3 LYS 26 HD3 LYS 26 10.576 -18.327 -2.984 126 HE2 LYS 26 HE2 LYS 26 10.580 -15.629 -1.640 127 HE3 LYS 26 HE1 LYS 26 11.875 -16.814 -1.504 128 HZ1 LYS 26 HZ1 LYS 26 11.005 -15.414 -3.998 129 HZ2 LYS 26 HZ2 LYS 26 12.108 -16.688 -3.955 130 HZ3 LYS 26 HZ3 LYS 26 12.479 -15.258 -3.186 131 H SER 27 H SER 27 4.653 -18.154 -2.887 132 HA SER 27 HA SER 27 4.143 -20.884 -3.775 133 HB2 SER 27 HB2 SER 27 1.882 -20.760 -2.660 134 HB3 SER 27 HB3 SER 27 3.242 -20.896 -1.546 135 HG SER 27 HG SER 27 2.533 -19.156 -0.673 136 H ASN 28 H ASN 28 2.380 -20.988 -5.301 137 HA ASN 28 HA ASN 28 2.303 -18.770 -7.067 138 HB2 ASN 28 HB2 ASN 28 2.026 -21.050 -7.923 139 HB3 ASN 28 HB3 ASN 28 0.529 -21.226 -7.004 140 HD21 ASN 28 HD21 ASN 28 2.062 -19.732 -9.732 141 HD22 ASN 28 HD22 ASN 28 0.601 -19.216 -10.522 142 H ALA 29 H ALA 29 0.048 -20.043 -4.716 143 HA ALA 29 HA ALA 29 -1.661 -17.688 -5.146 144 HB1 ALA 29 HB1 ALA 29 -3.402 -18.912 -3.944 145 HB2 ALA 29 HB2 ALA 29 -2.281 -20.246 -3.670 146 HB3 ALA 29 HB3 ALA 29 -2.803 -19.859 -5.309 147 H SER 30 H SER 30 -0.793 -16.085 -3.955 148 HA SER 30 HA SER 30 -0.469 -16.625 -1.084 149 HB2 SER 30 HB2 SER 30 1.082 -14.582 -2.692 150 HB3 SER 30 HB3 SER 30 1.347 -15.044 -1.012 151 HG SER 30 HG SER 30 1.631 -17.282 -2.091 152 H ALA 31 H ALA 31 -2.573 -16.009 -0.680 153 HA ALA 31 HA ALA 31 -3.513 -13.421 -1.610 154 HB1 ALA 31 HB1 ALA 31 -5.672 -14.063 -0.720 155 HB2 ALA 31 HB2 ALA 31 -4.955 -15.465 0.072 156 HB3 ALA 31 HB3 ALA 31 -5.015 -15.385 -1.687 157 H GLN 32 H GLN 32 -2.319 -14.917 1.295 158 HA GLN 32 HA GLN 32 -3.229 -12.732 2.966 159 HB2 GLN 32 HB2 GLN 32 -1.508 -15.140 3.562 160 HB3 GLN 32 HB3 GLN 32 -1.871 -13.906 4.748 161 HG2 GLN 32 HG2 GLN 32 -3.336 -15.661 5.212 162 HG3 GLN 32 HG3 GLN 32 -4.322 -14.480 4.360 163 HE21 GLN 32 HE21 GLN 32 -5.207 -15.036 2.401 164 HE22 GLN 32 HE22 GLN 32 -5.079 -16.624 1.724 165 H SER 33 H SER 33 -2.197 -10.846 2.832 166 HA SER 33 HA SER 33 0.561 -10.782 1.977 167 HB2 SER 33 HB2 SER 33 -1.291 -8.489 2.651 168 HB3 SER 33 HB3 SER 33 0.214 -8.415 1.729 169 HG SER 33 HG SER 33 -0.988 -10.096 0.372 170 H ALA 34 H ALA 34 2.163 -10.678 3.334 171 HA ALA 34 HA ALA 34 1.661 -9.784 6.113 172 HB1 ALA 34 HB1 ALA 34 2.193 -12.186 5.986 173 HB2 ALA 34 HB2 ALA 34 3.436 -11.287 6.856 174 HB3 ALA 34 HB3 ALA 34 3.722 -11.796 5.192 175 H TRP 35 H TRP 35 4.456 -10.298 3.989 176 HA TRP 35 HA TRP 35 5.258 -7.513 4.407 177 HB2 TRP 35 HB2 TRP 35 6.516 -9.073 5.961 178 HB3 TRP 35 HB3 TRP 35 7.123 -9.916 4.540 179 HD1 TRP 35 HD TRP 35 9.415 -9.120 3.727 180 HE1 TRP 35 HE1 TRP 35 10.875 -7.048 4.043 181 HE3 TRP 35 HE3 TRP 35 6.135 -6.265 6.418 182 HZ2 TRP 35 HZ2 TRP 35 10.660 -4.492 5.284 183 HZ3 TRP 35 HZ3 TRP 35 6.841 -4.022 7.126 184 HH2 TRP 35 HH TRP 35 9.059 -3.157 6.572 185 H ASP 36 H ASP 36 3.819 -8.606 2.347 186 HA ASP 36 HA ASP 36 5.324 -9.699 0.238 187 HB2 ASP 36 HB2 ASP 36 2.639 -8.310 0.258 188 HB3 ASP 36 HB3 ASP 36 3.318 -9.093 -1.157 189 H ILE 37 H ILE 37 6.455 -8.819 -1.312 190 HA ILE 37 HA ILE 37 6.698 -5.904 -1.368 191 HB ILE 37 HB ILE 37 8.769 -6.245 -2.657 192 HG12 ILE 37 HG12 ILE 37 8.342 -9.204 -2.143 193 HG13 ILE 37 HG11 ILE 37 8.111 -8.416 -3.697 194 HG21 ILE 37 HG21 ILE 37 10.104 -7.227 -0.815 195 HG22 ILE 37 HG22 ILE 37 8.602 -7.718 -0.033 196 HG23 ILE 37 HG23 ILE 37 8.950 -6.008 -0.285 197 HD11 ILE 37 HD11 ILE 37 10.710 -8.560 -2.187 198 HD12 ILE 37 HD31 ILE 37 10.244 -9.570 -3.558 199 HD13 ILE 37 HD21 ILE 37 10.457 -7.834 -3.779 200 H VAL 38 H VAL 38 4.941 -8.115 -2.846 201 HA VAL 38 HA VAL 38 5.150 -7.381 -5.595 202 HB VAL 38 HB VAL 38 2.811 -8.620 -4.099 203 HG11 VAL 38 HG11 VAL 38 2.056 -9.407 -6.307 204 HG12 VAL 38 HG12 VAL 38 3.338 -8.472 -7.068 205 HG13 VAL 38 HG13 VAL 38 2.054 -7.649 -6.183 206 HG21 VAL 38 HG21 VAL 38 4.809 -10.001 -3.949 207 HG22 VAL 38 HG22 VAL 38 5.008 -9.927 -5.702 208 HG23 VAL 38 HG23 VAL 38 3.618 -10.757 -5.008 209 H VAL 39 H VAL 39 4.152 -5.704 -6.642 210 HA VAL 39 HA VAL 39 2.956 -3.760 -4.838 211 HB VAL 39 HB VAL 39 3.433 -2.065 -6.566 212 HG11 VAL 39 HG11 VAL 39 4.996 -2.489 -4.768 213 HG12 VAL 39 HG12 VAL 39 5.848 -2.074 -6.256 214 HG13 VAL 39 HG13 VAL 39 5.777 -3.752 -5.722 215 HG21 VAL 39 HG21 VAL 39 3.359 -3.466 -8.565 216 HG22 VAL 39 HG22 VAL 39 4.767 -4.368 -8.006 217 HG23 VAL 39 HG23 VAL 39 4.925 -2.662 -8.445 218 H ASP 40 H ASP 40 1.505 -5.976 -6.043 219 HA ASP 40 HA ASP 40 -0.614 -4.715 -7.575 220 HB2 ASP 40 HB2 ASP 40 -0.255 -6.955 -7.923 221 HB3 ASP 40 HB3 ASP 40 -0.374 -7.290 -6.146 222 H ASN 41 H ASN 41 0.335 -4.796 -4.351 223 HA ASN 41 HA ASN 41 -2.144 -3.445 -3.751 224 HB2 ASN 41 HB2 ASN 41 -2.087 -4.259 -1.429 225 HB3 ASN 41 HB3 ASN 41 -2.270 -5.590 -2.560 226 HD21 ASN 41 HD21 ASN 41 -1.305 -5.564 0.232 227 HD22 ASN 41 HD22 ASN 41 0.301 -6.206 0.147 228 H CYS 42 H CYS 42 -1.951 -1.643 -2.650 229 HA CYS 42 HA CYS 42 0.555 -0.241 -2.648 230 HB2 CYS 42 HB2 CYS 42 -1.805 0.766 -2.779 231 HB3 CYS 42 HB3 CYS 42 -1.956 0.364 -1.102 232 H ALA 43 H ALA 43 2.094 -0.642 -1.117 233 HA ALA 43 HA ALA 43 1.419 -2.360 1.083 234 HB1 ALA 43 HB1 ALA 43 3.776 -2.317 1.631 235 HB2 ALA 43 HB2 ALA 43 4.040 -0.968 0.529 236 HB3 ALA 43 HB3 ALA 43 3.580 -2.552 -0.108 237 H ILE 44 H ILE 44 1.446 0.931 0.550 238 HA ILE 44 HA ILE 44 2.365 1.800 3.102 239 HB ILE 44 HB ILE 44 0.839 3.333 0.986 240 HG12 ILE 44 HG12 ILE 44 3.809 2.934 1.465 241 HG13 ILE 44 HG11 ILE 44 2.853 2.331 0.172 242 HG21 ILE 44 HG21 ILE 44 1.803 5.319 2.075 243 HG22 ILE 44 HG22 ILE 44 2.567 4.288 3.284 244 HG23 ILE 44 HG23 ILE 44 0.804 4.414 3.219 245 HD11 ILE 44 HD11 ILE 44 3.337 5.258 0.622 246 HD12 ILE 44 HD31 ILE 44 4.124 4.234 -0.585 247 HD13 ILE 44 HD21 ILE 44 2.385 4.538 -0.677 248 H CYS 45 H CYS 45 -0.812 1.471 1.616 249 HA CYS 45 HA CYS 45 -2.097 1.856 4.232 250 HB2 CYS 45 HB2 CYS 45 -4.212 1.983 2.890 251 HB3 CYS 45 HB3 CYS 45 -3.033 3.217 2.436 252 H ARG 46 H ARG 46 -1.159 -0.437 1.922 253 HA ARG 46 HA ARG 46 -1.346 -2.540 1.621 254 HB2 ARG 46 HB2 ARG 46 -2.081 -2.441 4.485 255 HB3 ARG 46 HB3 ARG 46 -2.129 -4.000 3.645 256 HG2 ARG 46 HG2 ARG 46 0.232 -3.711 3.032 257 HG3 ARG 46 HG3 ARG 46 0.246 -2.148 3.855 258 HD2 ARG 46 HD2 ARG 46 -0.378 -4.764 5.212 259 HD3 ARG 46 HD3 ARG 46 1.235 -4.055 5.144 260 HE ARG 46 HE ARG 46 -0.395 -2.091 6.114 261 HH11 ARG 46 HH11 ARG 46 0.479 -5.370 7.110 262 HH12 ARG 46 HH12 ARG 46 0.335 -5.055 8.780 263 HH21 ARG 46 HH21 ARG 46 -0.578 -1.664 8.426 264 HH22 ARG 46 HH22 ARG 46 -0.286 -2.917 9.538 265 H ASN 47 H ASN 47 -3.224 -1.139 0.465 266 HA ASN 47 HA ASN 47 -5.339 -3.199 0.370 267 HB2 ASN 47 HB2 ASN 47 -6.195 -0.887 1.144 268 HB3 ASN 47 HB3 ASN 47 -5.848 -0.333 -0.489 269 HD21 ASN 47 HD21 ASN 47 -8.027 0.045 -1.094 270 HD22 ASN 47 HD22 ASN 47 -9.136 -1.238 -1.247 271 H HIS 48 H HIS 48 -6.372 -3.199 -1.863 272 HA HIS 48 HA HIS 48 -4.364 -4.110 -3.590 273 HB2 HIS 48 HB2 HIS 48 -6.889 -4.680 -3.484 274 HB3 HIS 48 HB3 HIS 48 -7.082 -3.380 -4.657 275 HD2 HIS 48 HD2 HIS 48 -4.957 -3.977 -6.833 276 HE1 HIS 48 HE1 HIS 48 -6.082 -8.058 -6.683 277 HE2 HIS 48 HE2 HIS 48 -4.536 -6.385 -7.657 278 H ILE 49 H ILE 49 -3.601 -3.430 -5.578 279 HA ILE 49 HA ILE 49 -2.680 -0.889 -5.702 280 HB ILE 49 HB ILE 49 -1.631 -2.801 -6.861 281 HG12 ILE 49 HG12 ILE 49 -0.953 -1.455 -8.967 282 HG13 ILE 49 HG11 ILE 49 -2.171 -0.324 -8.453 283 HG21 ILE 49 HG21 ILE 49 -3.864 -2.468 -8.842 284 HG22 ILE 49 HG22 ILE 49 -3.397 -3.929 -7.954 285 HG23 ILE 49 HG23 ILE 49 -2.360 -3.293 -9.206 286 HD11 ILE 49 HD11 ILE 49 0.130 -1.167 -6.771 287 HD12 ILE 49 HD31 ILE 49 0.073 0.332 -7.710 288 HD13 ILE 49 HD21 ILE 49 -1.067 0.089 -6.384 289 H MET 50 H MET 50 -3.193 0.921 -6.906 290 HA MET 50 HA MET 50 -4.508 2.507 -7.768 291 HB2 MET 50 HB2 MET 50 -5.212 2.065 -10.173 292 HB3 MET 50 HB3 MET 50 -3.523 1.837 -9.783 293 HG2 MET 50 HG2 MET 50 -3.914 -0.590 -9.671 294 HG3 MET 50 HG3 MET 50 -5.582 -0.321 -10.152 295 HE1 MET 50 HE1 MET 50 -5.158 -2.093 -12.113 296 HE2 MET 50 HE2 MET 50 -3.476 -2.259 -11.610 297 HE3 MET 50 HE3 MET 50 -3.863 -1.940 -13.302 298 H ASP 51 H ASP 51 -5.964 1.102 -5.932 299 HA ASP 51 HA ASP 51 -8.710 1.427 -6.975 300 HB2 ASP 51 HB2 ASP 51 -8.009 -0.913 -6.235 301 HB3 ASP 51 HB3 ASP 51 -7.783 -0.270 -4.625 302 H LEU 52 H LEU 52 -10.058 1.770 -4.751 303 HA LEU 52 HA LEU 52 -9.349 4.213 -3.495 304 HB2 LEU 52 HB2 LEU 52 -11.280 2.020 -2.796 305 HB3 LEU 52 HB3 LEU 52 -11.149 3.503 -1.871 306 HG LEU 52 HG LEU 52 -11.786 3.516 -4.826 307 HD11 LEU 52 HD11 LEU 52 -13.735 3.591 -2.510 308 HD12 LEU 52 HD12 LEU 52 -13.497 2.212 -3.572 309 HD13 LEU 52 HD13 LEU 52 -14.123 3.720 -4.223 310 HD21 LEU 52 HD21 LEU 52 -12.637 5.749 -4.267 311 HD22 LEU 52 HD22 LEU 52 -10.930 5.590 -3.831 312 HD23 LEU 52 HD23 LEU 52 -12.174 5.479 -2.587 313 H CYS 53 H CYS 53 -8.415 4.540 -1.423 314 HA CYS 53 HA CYS 53 -6.741 2.405 -0.420 315 HB2 CYS 53 HB2 CYS 53 -7.272 5.077 0.891 316 HB3 CYS 53 HB3 CYS 53 -5.897 4.015 1.119 317 H ILE 54 H ILE 54 -6.770 2.481 2.191 318 HA ILE 54 HA ILE 54 -8.831 0.721 2.847 319 HB ILE 54 HB ILE 54 -7.992 0.970 5.186 320 HG12 ILE 54 HG12 ILE 54 -6.200 3.066 3.909 321 HG13 ILE 54 HG11 ILE 54 -7.497 3.303 5.031 322 HG21 ILE 54 HG21 ILE 54 -5.976 0.681 3.015 323 HG22 ILE 54 HG22 ILE 54 -6.986 -0.632 3.708 324 HG23 ILE 54 HG23 ILE 54 -5.745 0.188 4.693 325 HD11 ILE 54 HD11 ILE 54 -5.374 3.461 6.070 326 HD12 ILE 54 HD31 ILE 54 -6.382 2.184 6.765 327 HD13 ILE 54 HD21 ILE 54 -5.038 1.748 5.672 328 H GLU 55 H GLU 55 -8.325 4.052 3.810 329 HA GLU 55 HA GLU 55 -10.888 4.153 5.205 330 HB2 GLU 55 HB2 GLU 55 -8.989 6.381 4.618 331 HB3 GLU 55 HB3 GLU 55 -10.284 6.436 5.777 332 HG2 GLU 55 HG2 GLU 55 -8.971 4.432 6.949 333 HG3 GLU 55 HG3 GLU 55 -7.741 4.940 5.863 334 H CYS 56 H CYS 56 -9.368 5.065 2.355 335 HA CYS 56 HA CYS 56 -11.027 7.190 1.558 336 HB2 CYS 56 HB2 CYS 56 -9.429 5.292 -0.129 337 HB3 CYS 56 HB3 CYS 56 -10.170 6.769 -0.744 338 H GLN 57 H GLN 57 -11.339 3.731 0.859 339 HA GLN 57 HA GLN 57 -13.661 4.009 -0.694 340 HB2 GLN 57 HB2 GLN 57 -14.094 1.583 -0.102 341 HB3 GLN 57 HB3 GLN 57 -12.551 1.939 -0.872 342 HG2 GLN 57 HG2 GLN 57 -11.744 0.614 0.743 343 HG3 GLN 57 HG3 GLN 57 -11.874 2.057 1.740 344 HE21 GLN 57 HE21 GLN 57 -13.253 -1.015 0.951 345 HE22 GLN 57 HE22 GLN 57 -14.276 -1.149 2.350 346 H ALA 58 H ALA 58 -13.313 3.614 2.738 347 HA ALA 58 HA ALA 58 -16.116 3.583 3.356 348 HB1 ALA 58 HB1 ALA 58 -14.433 2.763 4.948 349 HB2 ALA 58 HB2 ALA 58 -15.399 4.054 5.665 350 HB3 ALA 58 HB3 ALA 58 -13.777 4.398 5.084 351 H ASN 59 H ASN 59 -13.658 5.988 3.135 352 HA ASN 59 HA ASN 59 -14.881 8.306 4.085 353 HB2 ASN 59 HB2 ASN 59 -12.447 7.799 3.502 354 HB3 ASN 59 HB3 ASN 59 -12.904 8.079 1.833 355 HD21 ASN 59 HD21 ASN 59 -12.126 9.421 4.840 356 HD22 ASN 59 HD22 ASN 59 -12.144 11.076 4.360 357 H GLN 60 H GLN 60 -14.723 6.798 0.926 358 HA GLN 60 HA GLN 60 -15.688 7.118 -1.044 359 HB2 GLN 60 HB2 GLN 60 -17.742 6.583 0.237 360 HB3 GLN 60 HB3 GLN 60 -17.971 8.296 0.562 361 HG2 GLN 60 HG2 GLN 60 -18.283 8.718 -1.803 362 HG3 GLN 60 HG3 GLN 60 -17.977 7.023 -2.168 363 HE21 GLN 60 HE21 GLN 60 -19.925 6.702 -3.089 364 HE22 GLN 60 HE22 GLN 60 -21.424 6.638 -2.259 365 H ALA 61 H ALA 61 -13.862 8.694 -1.023 366 HA ALA 61 HA ALA 61 -14.448 11.477 -1.125 367 HB1 ALA 61 HB1 ALA 61 -12.213 11.676 -2.146 368 HB2 ALA 61 HB2 ALA 61 -12.134 9.923 -2.299 369 HB3 ALA 61 HB3 ALA 61 -12.181 10.671 -0.702 370 H SER 62 H SER 62 -15.036 12.716 -2.838 371 HA SER 62 HA SER 62 -15.695 11.228 -5.266 372 HB2 SER 62 HB2 SER 62 -17.525 12.476 -4.010 373 HB3 SER 62 HB3 SER 62 -16.746 13.969 -4.536 374 HG SER 62 HG SER 62 -17.665 11.882 -6.205 375 H ALA 63 H ALA 63 -13.961 11.239 -6.457 376 HA ALA 63 HA ALA 63 -13.280 13.540 -7.949 377 HB1 ALA 63 HB1 ALA 63 -10.874 13.612 -7.363 378 HB2 ALA 63 HB2 ALA 63 -11.160 12.458 -6.056 379 HB3 ALA 63 HB3 ALA 63 -11.885 14.062 -5.991 380 H THR 64 H THR 64 -11.363 10.725 -6.899 381 HA THR 64 HA THR 64 -12.207 9.308 -9.282 382 HB THR 64 HB THR 64 -9.786 8.339 -9.129 383 HG1 THR 64 HG3 THR 64 -8.741 9.320 -7.620 384 HG21 THR 64 HG21 THR 64 -9.008 9.947 -10.802 385 HG22 THR 64 HG22 THR 64 -10.264 11.081 -10.309 386 HG23 THR 64 HG23 THR 64 -10.706 9.561 -11.080 387 H SER 65 H SER 65 -13.152 7.496 -8.705 388 HA SER 65 HA SER 65 -12.239 6.151 -6.230 389 HB2 SER 65 HB2 SER 65 -14.892 5.884 -7.623 390 HB3 SER 65 HB3 SER 65 -14.405 5.120 -6.099 391 HG SER 65 HG SER 65 -14.373 7.931 -6.445 392 H GLU 66 H GLU 66 -12.238 6.043 -9.578 393 HA GLU 66 HA GLU 66 -12.266 3.257 -10.085 394 HB2 GLU 66 HB2 GLU 66 -12.324 5.187 -11.729 395 HB3 GLU 66 HB3 GLU 66 -10.597 5.388 -11.450 396 HG2 GLU 66 HG2 GLU 66 -10.893 4.150 -13.472 397 HG3 GLU 66 HG3 GLU 66 -10.277 3.043 -12.243 398 H GLU 67 H GLU 67 -9.929 5.632 -9.055 399 HA GLU 67 HA GLU 67 -8.419 3.736 -7.609 400 HB2 GLU 67 HB2 GLU 67 -6.302 4.705 -8.456 401 HB3 GLU 67 HB3 GLU 67 -7.169 3.889 -9.748 402 HG2 GLU 67 HG2 GLU 67 -7.934 6.002 -10.628 403 HG3 GLU 67 HG3 GLU 67 -7.222 6.864 -9.282 404 H CYS 68 H CYS 68 -7.985 4.803 -5.713 405 HA CYS 68 HA CYS 68 -8.999 7.356 -5.108 406 HB2 CYS 68 HB2 CYS 68 -8.291 5.922 -3.303 407 HB3 CYS 68 HB3 CYS 68 -6.644 5.856 -3.879 408 H THR 69 H THR 69 -5.671 6.463 -5.695 409 HA THR 69 HA THR 69 -5.269 7.834 -8.049 410 HB THR 69 HB THR 69 -3.342 9.222 -7.184 411 HG1 THR 69 HG3 THR 69 -4.821 9.761 -4.853 412 HG21 THR 69 HG21 THR 69 -6.118 10.315 -6.739 413 HG22 THR 69 HG22 THR 69 -5.200 10.328 -8.247 414 HG23 THR 69 HG23 THR 69 -4.661 11.302 -6.875 415 H VAL 70 H VAL 70 -3.255 7.090 -8.945 416 HA VAL 70 HA VAL 70 -1.628 5.482 -7.113 417 HB VAL 70 HB VAL 70 -3.303 4.076 -8.391 418 HG11 VAL 70 HG11 VAL 70 -1.568 4.835 -10.712 419 HG12 VAL 70 HG12 VAL 70 -3.282 5.195 -10.488 420 HG13 VAL 70 HG13 VAL 70 -2.753 3.519 -10.730 421 HG21 VAL 70 HG21 VAL 70 -1.350 3.081 -7.364 422 HG22 VAL 70 HG22 VAL 70 -0.371 3.509 -8.763 423 HG23 VAL 70 HG23 VAL 70 -1.655 2.306 -8.919 424 H ALA 71 H ALA 71 0.540 5.280 -7.612 425 HA ALA 71 HA ALA 71 1.498 6.721 -9.969 426 HB1 ALA 71 HB1 ALA 71 3.235 7.779 -8.625 427 HB2 ALA 71 HB2 ALA 71 2.564 7.046 -7.167 428 HB3 ALA 71 HB3 ALA 71 1.627 8.243 -8.066 429 H TRP 72 H TRP 72 3.303 5.857 -10.891 430 HA TRP 72 HA TRP 72 4.083 3.253 -9.847 431 HB2 TRP 72 HB2 TRP 72 4.793 4.406 -12.501 432 HB3 TRP 72 HB3 TRP 72 4.790 2.742 -12.002 433 HD1 TRP 72 HD TRP 72 2.952 4.693 -14.289 434 HE1 TRP 72 HE1 TRP 72 0.532 3.927 -14.630 435 HE3 TRP 72 HE3 TRP 72 2.507 1.816 -10.176 436 HZ2 TRP 72 HZ2 TRP 72 -1.364 2.240 -13.266 437 HZ3 TRP 72 HZ3 TRP 72 0.329 0.631 -9.751 438 HH2 TRP 72 HH TRP 72 -1.521 0.870 -11.274 439 H GLY 73 H GLY 73 6.175 2.855 -9.440 440 HA2 GLY 73 HA2 GLY 73 7.947 5.163 -9.283 441 HA3 GLY 73 HA3 GLY 73 8.089 3.637 -8.395 442 H VAL 74 H VAL 74 9.886 5.173 -10.257 443 HA VAL 74 HA VAL 74 10.212 3.756 -12.691 444 HB VAL 74 HB VAL 74 12.346 5.151 -11.069 445 HG11 VAL 74 HG11 VAL 74 12.231 4.479 -14.013 446 HG12 VAL 74 HG12 VAL 74 13.359 3.817 -12.821 447 HG13 VAL 74 HG13 VAL 74 13.451 5.518 -13.279 448 HG21 VAL 74 HG21 VAL 74 10.473 6.635 -11.475 449 HG22 VAL 74 HG22 VAL 74 10.514 6.256 -13.192 450 HG23 VAL 74 HG23 VAL 74 11.850 7.144 -12.455 451 H CYS 75 H CYS 75 11.076 3.109 -9.463 452 HA CYS 75 HA CYS 75 13.106 1.139 -9.858 453 HB2 CYS 75 HB2 CYS 75 12.733 0.864 -7.413 454 HB3 CYS 75 HB3 CYS 75 13.008 2.531 -7.921 455 H ASN 76 H ASN 76 10.201 0.878 -11.029 456 HA ASN 76 HA ASN 76 8.722 -0.638 -11.520 457 HB2 ASN 76 HB2 ASN 76 10.843 -2.529 -10.491 458 HB3 ASN 76 HB3 ASN 76 9.252 -3.005 -11.087 459 HD21 ASN 76 HD21 ASN 76 11.113 -0.353 -12.433 460 HD22 ASN 76 HD22 ASN 76 11.399 -1.090 -13.967 461 H HIS 77 H HIS 77 8.534 0.724 -9.176 462 HA HIS 77 HA HIS 77 7.075 -1.197 -7.554 463 HB2 HIS 77 HB2 HIS 77 8.566 1.241 -6.855 464 HB3 HIS 77 HB3 HIS 77 7.122 0.884 -5.875 465 HD2 HIS 77 HD2 HIS 77 7.834 -2.478 -5.996 466 HE1 HIS 77 HE1 HIS 77 11.074 -1.221 -3.618 467 HE2 HIS 77 HE2 HIS 77 9.613 -3.167 -4.350 468 H ALA 78 H ALA 78 5.019 -0.392 -6.583 469 HA ALA 78 HA ALA 78 3.828 1.803 -8.019 470 HB1 ALA 78 HB1 ALA 78 1.866 0.453 -8.545 471 HB2 ALA 78 HB2 ALA 78 2.684 -0.999 -7.966 472 HB3 ALA 78 HB3 ALA 78 3.300 -0.129 -9.369 473 H PHE 79 H PHE 79 2.738 3.001 -6.621 474 HA PHE 79 HA PHE 79 1.505 1.745 -4.290 475 HB2 PHE 79 HB2 PHE 79 3.270 4.187 -4.218 476 HB3 PHE 79 HB3 PHE 79 2.300 3.629 -2.860 477 HD1 PHE 79 HD2 PHE 79 2.948 1.346 -1.811 478 HD2 PHE 79 HD3 PHE 79 5.391 3.343 -4.675 479 HE1 PHE 79 HE2 PHE 79 4.926 -0.065 -1.162 480 HE2 PHE 79 HE1 PHE 79 7.303 1.941 -4.018 481 HZ PHE 79 HZ PHE 79 7.053 0.265 -2.271 482 H HIS 80 H HIS 80 -0.029 3.400 -3.246 483 HA HIS 80 HA HIS 80 -1.542 4.669 -5.304 484 HB2 HIS 80 HB2 HIS 80 -1.644 4.597 -2.323 485 HB3 HIS 80 HB3 HIS 80 -2.597 5.759 -3.207 486 HD2 HIS 80 HD2 HIS 80 -3.727 3.642 -5.545 487 HE1 HIS 80 HE1 HIS 80 -5.333 1.611 -2.206 488 HE2 HIS 80 HE2 HIS 80 -5.756 2.507 -4.424 489 H PHE 81 H PHE 81 -1.483 6.765 -5.882 490 HA PHE 81 HA PHE 81 0.798 8.288 -5.365 491 HB2 PHE 81 HB2 PHE 81 -0.657 8.622 -7.348 492 HB3 PHE 81 HB3 PHE 81 -1.895 9.165 -6.215 493 HD1 PHE 81 HD3 PHE 81 1.580 10.014 -7.281 494 HD2 PHE 81 HD2 PHE 81 -2.168 11.434 -5.855 495 HE1 PHE 81 HE1 PHE 81 2.377 12.321 -7.508 496 HE2 PHE 81 HE2 PHE 81 -1.370 13.758 -6.079 497 HZ PHE 81 HZ PHE 81 0.900 14.199 -6.910 498 H HIS 82 H HIS 82 -2.400 8.315 -3.969 499 HA HIS 82 HA HIS 82 -2.148 10.480 -2.215 500 HB2 HIS 82 HB2 HIS 82 -4.285 9.447 -2.582 501 HB3 HIS 82 HB3 HIS 82 -3.709 7.907 -1.980 502 HD2 HIS 82 HD2 HIS 82 -2.978 11.031 0.196 503 HE1 HIS 82 HE1 HIS 82 -6.071 8.813 2.085 504 HE2 HIS 82 HE2 HIS 82 -4.556 10.792 2.271 505 H CYS 83 H CYS 83 -1.450 7.016 -1.633 506 HA CYS 83 HA CYS 83 -0.633 7.396 1.022 507 HB2 CYS 83 HB2 CYS 83 0.020 5.063 -0.815 508 HB3 CYS 83 HB3 CYS 83 0.068 5.156 0.930 509 H ILE 84 H ILE 84 1.116 7.023 -2.039 510 HA ILE 84 HA ILE 84 3.648 7.081 -0.816 511 HB ILE 84 HB ILE 84 3.236 6.168 -3.145 512 HG12 ILE 84 HG12 ILE 84 5.356 7.065 -4.122 513 HG13 ILE 84 HG11 ILE 84 5.417 8.210 -2.796 514 HG21 ILE 84 HG21 ILE 84 3.182 7.620 -5.034 515 HG22 ILE 84 HG22 ILE 84 3.367 9.044 -3.983 516 HG23 ILE 84 HG23 ILE 84 1.894 8.051 -3.890 517 HD11 ILE 84 HD11 ILE 84 5.492 5.207 -2.517 518 HD12 ILE 84 HD31 ILE 84 6.864 6.300 -2.362 519 HD13 ILE 84 HD21 ILE 84 5.558 6.369 -1.189 520 H SER 85 H SER 85 1.589 9.645 -2.036 521 HA SER 85 HA SER 85 3.438 11.774 -1.860 522 HB2 SER 85 HB2 SER 85 0.446 11.827 -1.397 523 HB3 SER 85 HB3 SER 85 1.462 13.256 -1.550 524 HG SER 85 HG SER 85 0.911 11.265 -3.457 525 H ARG 86 H ARG 86 1.249 10.427 0.589 526 HA ARG 86 HA ARG 86 1.946 12.141 2.729 527 HB2 ARG 86 HB2 ARG 86 1.090 9.245 2.674 528 HB3 ARG 86 HB3 ARG 86 1.255 10.171 4.149 529 HG2 ARG 86 HG2 ARG 86 -0.559 11.098 1.952 530 HG3 ARG 86 HG3 ARG 86 -1.079 9.863 3.094 531 HD2 ARG 86 HD2 ARG 86 -1.842 11.951 3.936 532 HD3 ARG 86 HD3 ARG 86 -0.492 11.450 4.940 533 HE ARG 86 HE ARG 86 -0.107 13.331 2.733 534 HH11 ARG 86 HH11 ARG 86 0.131 12.565 6.189 535 HH12 ARG 86 HH12 ARG 86 0.791 14.067 6.644 536 HH21 ARG 86 HH21 ARG 86 0.773 15.424 3.363 537 HH22 ARG 86 HH22 ARG 86 1.155 15.750 4.992 538 H TRP 87 H TRP 87 3.267 9.127 1.509 539 HA TRP 87 HA TRP 87 5.160 8.572 3.518 540 HB2 TRP 87 HB2 TRP 87 4.344 6.907 1.924 541 HB3 TRP 87 HB3 TRP 87 5.002 7.849 0.597 542 HD1 TRP 87 HD TRP 87 7.395 7.263 -0.148 543 HE1 TRP 87 HE1 TRP 87 9.242 5.781 0.810 544 HE3 TRP 87 HE3 TRP 87 5.258 6.147 4.330 545 HZ2 TRP 87 HZ2 TRP 87 9.736 4.300 3.177 546 HZ3 TRP 87 HZ3 TRP 87 6.479 4.681 5.910 547 HH2 TRP 87 HH TRP 87 8.676 3.788 5.342 548 H LEU 88 H LEU 88 5.414 10.166 0.398 549 HA LEU 88 HA LEU 88 8.176 10.597 0.562 550 HB2 LEU 88 HB2 LEU 88 6.070 11.760 -1.204 551 HB3 LEU 88 HB3 LEU 88 7.780 12.093 -1.414 552 HG LEU 88 HG LEU 88 6.609 9.330 -1.428 553 HD11 LEU 88 HD11 LEU 88 7.336 11.109 -3.740 554 HD12 LEU 88 HD12 LEU 88 5.716 10.561 -3.243 555 HD13 LEU 88 HD13 LEU 88 6.903 9.390 -3.809 556 HD21 LEU 88 HD21 LEU 88 8.969 9.378 -0.822 557 HD22 LEU 88 HD22 LEU 88 9.334 10.367 -2.238 558 HD23 LEU 88 HD23 LEU 88 8.771 8.722 -2.441 559 H LYS 89 H LYS 89 5.518 12.517 1.596 560 HA LYS 89 HA LYS 89 7.026 14.847 1.975 561 HB2 LYS 89 HB2 LYS 89 4.466 13.938 3.283 562 HB3 LYS 89 HB3 LYS 89 5.177 15.525 3.564 563 HG2 LYS 89 HG2 LYS 89 5.048 16.025 1.186 564 HG3 LYS 89 HG3 LYS 89 4.348 14.437 0.881 565 HD2 LYS 89 HD2 LYS 89 2.438 15.072 2.321 566 HD3 LYS 89 HD3 LYS 89 3.140 16.682 2.486 567 HE2 LYS 89 HE2 LYS 89 2.410 15.405 -0.149 568 HE3 LYS 89 HE1 LYS 89 1.388 16.534 0.730 569 HZ1 LYS 89 HZ1 LYS 89 4.128 17.173 -0.268 570 HZ2 LYS 89 HZ2 LYS 89 3.029 18.244 0.470 571 HZ3 LYS 89 HZ3 LYS 89 2.670 17.570 -1.031 572 H THR 90 H THR 90 6.578 11.997 3.940 573 HA THR 90 HA THR 90 8.334 13.215 5.924 574 HB THR 90 HB THR 90 6.339 12.267 6.835 575 HG1 THR 90 HG3 THR 90 7.478 11.742 8.474 576 HG21 THR 90 HG21 THR 90 5.834 10.578 5.166 577 HG22 THR 90 HG22 THR 90 5.849 9.845 6.771 578 HG23 THR 90 HG23 THR 90 7.217 9.616 5.682 579 H ARG 91 H ARG 91 8.698 11.157 3.215 580 HA ARG 91 HA ARG 91 11.259 10.134 4.097 581 HB2 ARG 91 HB2 ARG 91 9.066 8.330 3.018 582 HB3 ARG 91 HB3 ARG 91 10.736 7.906 3.227 583 HG2 ARG 91 HG2 ARG 91 8.974 8.726 5.514 584 HG3 ARG 91 HG3 ARG 91 9.241 7.061 5.024 585 HD2 ARG 91 HD2 ARG 91 11.616 7.256 5.413 586 HD3 ARG 91 HD3 ARG 91 11.454 8.970 5.778 587 HE ARG 91 HE ARG 91 9.831 7.801 7.581 588 HH11 ARG 91 HH11 ARG 91 13.241 7.289 6.694 589 HH12 ARG 91 HH12 ARG 91 13.724 6.799 8.227 590 HH21 ARG 91 HH21 ARG 91 10.519 7.077 9.742 591 HH22 ARG 91 HH22 ARG 91 12.160 6.649 9.978 592 H GLN 92 H GLN 92 12.572 9.520 2.317 593 HA GLN 92 HA GLN 92 11.567 10.605 -0.232 594 HB2 GLN 92 HB2 GLN 92 14.228 10.776 1.073 595 HB3 GLN 92 HB3 GLN 92 14.005 11.059 -0.650 596 HG2 GLN 92 HG2 GLN 92 12.405 12.421 1.444 597 HG3 GLN 92 HG3 GLN 92 13.881 13.180 0.964 598 HE21 GLN 92 HE21 GLN 92 14.012 13.776 -1.357 599 HE22 GLN 92 HE22 GLN 92 12.557 14.204 -2.181 600 H VAL 93 H VAL 93 12.030 7.829 1.087 601 HA VAL 93 HA VAL 93 13.337 6.614 -1.260 602 HB VAL 93 HB VAL 93 14.205 4.843 0.350 603 HG11 VAL 93 HG11 VAL 93 15.176 7.673 0.777 604 HG12 VAL 93 HG12 VAL 93 15.630 6.609 -0.567 605 HG13 VAL 93 HG13 VAL 93 16.087 6.185 1.088 606 HG21 VAL 93 HG21 VAL 93 14.357 5.495 2.729 607 HG22 VAL 93 HG22 VAL 93 12.656 5.400 2.196 608 HG23 VAL 93 HG23 VAL 93 13.467 6.966 2.324 609 H CYS 94 H CYS 94 12.658 4.502 -1.798 610 HA CYS 94 HA CYS 94 9.968 3.892 -1.637 611 HB2 CYS 94 HB2 CYS 94 12.323 2.118 -1.868 612 HB3 CYS 94 HB3 CYS 94 10.702 1.568 -2.264 613 HA PRO 95 HA PRO 95 9.564 2.316 2.611 614 HB2 PRO 95 HB2 PRO 95 7.506 0.615 1.316 615 HB3 PRO 95 HB3 PRO 95 7.348 1.682 2.717 616 HG2 PRO 95 HG2 PRO 95 6.315 2.354 0.357 617 HG3 PRO 95 HG3 PRO 95 7.077 3.589 1.397 618 HD2 PRO 95 HD2 PRO 95 8.096 2.239 -1.063 619 HD3 PRO 95 HD3 PRO 95 8.308 3.913 -0.535 620 H LEU 96 H LEU 96 9.502 0.382 -0.238 621 HA LEU 96 HA LEU 96 10.101 -2.127 1.117 622 HB2 LEU 96 HB2 LEU 96 9.788 -1.591 -1.841 623 HB3 LEU 96 HB3 LEU 96 9.752 -3.150 -1.056 624 HG LEU 96 HG LEU 96 7.664 -0.994 -0.830 625 HD11 LEU 96 HD11 LEU 96 7.650 -3.650 -2.216 626 HD12 LEU 96 HD12 LEU 96 7.667 -2.052 -2.966 627 HD13 LEU 96 HD13 LEU 96 6.257 -2.574 -2.031 628 HD21 LEU 96 HD21 LEU 96 7.821 -2.254 1.271 629 HD22 LEU 96 HD22 LEU 96 7.736 -3.766 0.361 630 HD23 LEU 96 HD23 LEU 96 6.352 -2.671 0.380 631 H ASP 97 H ASP 97 11.450 -0.119 -1.450 632 HA ASP 97 HA ASP 97 13.834 -1.720 -1.791 633 HB2 ASP 97 HB2 ASP 97 12.851 0.825 -2.988 634 HB3 ASP 97 HB3 ASP 97 14.573 0.463 -3.119 635 H ASN 98 H ASN 98 12.975 1.136 -0.005 636 HA ASN 98 HA ASN 98 14.095 2.734 1.094 637 HB2 ASN 98 HB2 ASN 98 14.694 0.641 2.454 638 HB3 ASN 98 HB3 ASN 98 16.276 0.723 1.672 639 HD21 ASN 98 HD21 ASN 98 15.488 0.995 4.454 640 HD22 ASN 98 HD22 ASN 98 16.083 2.539 4.977 641 H ARG 99 H ARG 99 14.395 2.821 -1.516 642 HA ARG 99 HA ARG 99 17.098 3.953 -1.908 643 HB2 ARG 99 HB2 ARG 99 15.298 2.578 -3.929 644 HB3 ARG 99 HB3 ARG 99 16.861 3.304 -4.277 645 HG2 ARG 99 HG2 ARG 99 17.959 1.678 -2.864 646 HG3 ARG 99 HG3 ARG 99 16.383 1.003 -2.439 647 HD2 ARG 99 HD2 ARG 99 16.022 0.439 -4.823 648 HD3 ARG 99 HD3 ARG 99 17.641 1.036 -5.185 649 HE ARG 99 HE ARG 99 17.962 -0.812 -3.190 650 HH11 ARG 99 HH11 ARG 99 16.771 -0.817 -6.551 651 HH12 ARG 99 HH12 ARG 99 17.068 -2.467 -6.788 652 HH21 ARG 99 HH21 ARG 99 18.416 -3.049 -3.559 653 HH22 ARG 99 HH22 ARG 99 18.065 -3.781 -5.059 654 H GLU 100 H GLU 100 16.949 5.973 -3.249 655 HA GLU 100 HA GLU 100 14.766 7.503 -2.432 656 HB2 GLU 100 HB2 GLU 100 16.944 8.481 -3.120 657 HB3 GLU 100 HB3 GLU 100 16.574 8.071 -4.791 658 HG2 GLU 100 HG2 GLU 100 14.635 9.548 -4.743 659 HG3 GLU 100 HG3 GLU 100 14.984 9.966 -3.069 660 H TRP 101 H TRP 101 12.778 7.827 -3.158 661 HA TRP 101 HA TRP 101 11.832 6.089 -5.216 662 HB2 TRP 101 HB2 TRP 101 10.339 6.249 -3.384 663 HB3 TRP 101 HB3 TRP 101 10.528 7.968 -3.249 664 HD1 TRP 101 HD TRP 101 9.117 9.486 -4.940 665 HE1 TRP 101 HE1 TRP 101 7.009 9.013 -6.325 666 HE3 TRP 101 HE3 TRP 101 9.140 4.445 -4.646 667 HZ2 TRP 101 HZ2 TRP 101 5.542 6.795 -7.176 668 HZ3 TRP 101 HZ3 TRP 101 7.321 3.177 -5.782 669 HH2 TRP 101 HH TRP 101 5.556 4.369 -7.017 670 H GLU 102 H GLU 102 11.445 6.560 -7.263 671 HA GLU 102 HA GLU 102 11.168 9.382 -8.000 672 HB2 GLU 102 HB2 GLU 102 12.470 7.155 -9.571 673 HB3 GLU 102 HB3 GLU 102 12.111 8.751 -10.213 674 HG2 GLU 102 HG2 GLU 102 13.583 9.751 -8.524 675 HG3 GLU 102 HG3 GLU 102 13.967 8.130 -7.933 676 H PHE 103 H PHE 103 9.582 9.877 -9.422 677 HA PHE 103 HA PHE 103 7.411 7.949 -9.636 678 HB2 PHE 103 HB2 PHE 103 7.648 10.868 -10.350 679 HB3 PHE 103 HB3 PHE 103 6.229 9.928 -10.744 680 HD1 PHE 103 HD2 PHE 103 4.850 9.046 -8.939 681 HD2 PHE 103 HD3 PHE 103 8.031 11.716 -8.246 682 HE1 PHE 103 HE2 PHE 103 3.860 9.607 -6.733 683 HE2 PHE 103 HE1 PHE 103 7.080 12.312 -6.033 684 HZ PHE 103 HZ PHE 103 4.988 11.246 -5.284 685 H GLN 104 H GLN 104 7.452 6.612 -11.279 686 HA GLN 104 HA GLN 104 8.699 7.164 -13.820 687 HB2 GLN 104 HB2 GLN 104 8.247 4.851 -12.864 688 HB3 GLN 104 HB3 GLN 104 6.557 5.164 -13.120 689 HG2 GLN 104 HG2 GLN 104 7.369 3.789 -14.917 690 HG3 GLN 104 HG3 GLN 104 6.944 5.382 -15.538 691 HE21 GLN 104 HE21 GLN 104 8.498 6.641 -16.442 692 HE22 GLN 104 HE22 GLN 104 10.134 6.132 -16.671 693 H LYS 105 H LYS 105 5.410 6.930 -12.585 694 HA LYS 105 HA LYS 105 4.540 9.242 -14.034 695 HB2 LYS 105 HB2 LYS 105 3.135 6.567 -14.300 696 HB3 LYS 105 HB3 LYS 105 2.409 8.101 -14.723 697 HG2 LYS 105 HG2 LYS 105 4.857 6.913 -16.017 698 HG3 LYS 105 HG3 LYS 105 3.223 6.906 -16.694 699 HD2 LYS 105 HD2 LYS 105 3.219 9.369 -16.671 700 HD3 LYS 105 HD3 LYS 105 4.856 9.356 -16.023 701 HE2 LYS 105 HE2 LYS 105 5.616 8.186 -18.043 702 HE3 LYS 105 HE1 LYS 105 3.978 8.272 -18.688 703 HZ1 LYS 105 HZ1 LYS 105 4.165 10.752 -18.470 704 HZ2 LYS 105 HZ2 LYS 105 5.224 10.089 -19.595 705 HZ3 LYS 105 HZ3 LYS 105 5.779 10.523 -18.054 706 H TYR 106 H TYR 106 2.400 9.932 -13.166 707 HA TYR 106 HA TYR 106 1.970 8.892 -10.483 708 HB2 TYR 106 HB2 TYR 106 1.832 11.177 -9.561 709 HB3 TYR 106 HB3 TYR 106 3.439 10.781 -10.148 710 HD1 TYR 106 HD3 TYR 106 4.316 11.873 -12.190 711 HD2 TYR 106 HD2 TYR 106 0.524 12.910 -10.569 712 HE1 TYR 106 HE1 TYR 106 4.318 13.935 -13.523 713 HE2 TYR 106 HE2 TYR 106 0.513 14.974 -11.901 714 HH TYR 106 HH TYR 106 2.743 15.537 -14.423 715 H GLY 107 H GLY 107 -0.062 9.834 -9.538 716 HA2 GLY 107 HA2 GLY 107 -2.183 9.209 -11.279 717 HA3 GLY 107 HA3 GLY 107 -2.340 9.895 -9.669 718 H HIS 108 H HIS 108 -2.427 10.478 -13.032 719 HA HIS 108 HA HIS 108 -2.958 13.296 -12.532 720 HB2 HIS 108 HB2 HIS 108 -2.675 13.576 -15.024 721 HB3 HIS 108 HB3 HIS 108 -1.224 13.038 -14.198 722 HD2 HIS 108 HD2 HIS 108 -3.168 12.187 -17.280 723 HE1 HIS 108 HE1 HIS 108 -1.104 8.626 -16.237 724 HE2 HIS 108 HE2 HIS 108 -2.427 9.806 -18.033 Start of MODEL 12 1 H1 GLY 9 H GLY 9 -25.717 7.641 -0.503 2 HA2 GLY 9 HA2 GLY 9 -23.735 7.531 -1.662 3 HA3 GLY 9 HA3 GLY 9 -24.137 5.855 -2.021 4 H GLY 10 H GLY 10 -23.878 5.583 -4.139 5 HA2 GLY 10 HA2 GLY 10 -25.383 7.387 -5.895 6 HA3 GLY 10 HA3 GLY 10 -23.725 6.957 -6.291 7 H GLY 11 H GLY 11 -26.418 6.415 -7.573 8 HA2 GLY 11 HA2 GLY 11 -26.330 3.485 -7.577 9 HA3 GLY 11 HA3 GLY 11 -27.656 4.476 -8.197 10 H GLY 12 H GLY 12 -26.663 2.431 -9.719 11 HA2 GLY 12 HA2 GLY 12 -25.955 2.010 -11.872 12 HA3 GLY 12 HA3 GLY 12 -26.151 3.733 -12.154 13 H THR 13 H THR 13 -23.947 2.048 -9.947 14 HA THR 13 HA THR 13 -21.871 3.866 -10.542 15 HB THR 13 HB THR 13 -21.717 1.249 -9.032 16 HG1 THR 13 HG3 THR 13 -22.740 3.781 -8.486 17 HG21 THR 13 HG21 THR 13 -19.531 2.284 -9.550 18 HG22 THR 13 HG22 THR 13 -19.890 2.378 -7.825 19 HG23 THR 13 HG23 THR 13 -20.088 3.801 -8.841 20 H ASN 14 H ASN 14 -20.459 3.805 -12.136 21 HA ASN 14 HA ASN 14 -19.600 1.217 -13.231 22 HB2 ASN 14 HB2 ASN 14 -20.095 3.798 -14.756 23 HB3 ASN 14 HB3 ASN 14 -19.227 2.418 -15.408 24 HD21 ASN 14 HD21 ASN 14 -22.316 3.693 -14.482 25 HD22 ASN 14 HD22 ASN 14 -23.274 2.452 -15.189 26 H SER 15 H SER 15 -17.368 1.078 -13.725 27 HA SER 15 HA SER 15 -15.809 3.246 -12.538 28 HB2 SER 15 HB2 SER 15 -15.181 0.300 -12.759 29 HB3 SER 15 HB3 SER 15 -14.113 1.496 -12.040 30 HG SER 15 HG SER 15 -15.898 1.988 -10.599 31 H GLY 16 H GLY 16 -14.572 4.387 -13.838 32 HA2 GLY 16 HA2 GLY 16 -13.440 3.132 -16.255 33 HA3 GLY 16 HA3 GLY 16 -14.334 4.639 -16.397 34 H ALA 17 H ALA 17 -11.318 3.472 -16.313 35 HA ALA 17 HA ALA 17 -10.026 5.261 -14.517 36 HB1 ALA 17 HB1 ALA 17 -7.955 4.522 -15.588 37 HB2 ALA 17 HB2 ALA 17 -8.895 3.712 -16.847 38 HB3 ALA 17 HB3 ALA 17 -8.987 3.151 -15.174 39 H GLY 18 H GLY 18 -8.698 7.090 -15.053 40 HA2 GLY 18 HA2 GLY 18 -7.859 8.651 -16.657 41 HA3 GLY 18 HA3 GLY 18 -9.214 8.240 -17.706 42 H LYS 19 H LYS 19 -9.206 8.974 -14.269 43 HA LYS 19 HA LYS 19 -10.970 11.263 -14.865 44 HB2 LYS 19 HB2 LYS 19 -11.090 9.285 -12.612 45 HB3 LYS 19 HB3 LYS 19 -12.010 10.774 -12.615 46 HG2 LYS 19 HG2 LYS 19 -13.161 10.025 -14.640 47 HG3 LYS 19 HG3 LYS 19 -12.242 8.514 -14.602 48 HD2 LYS 19 HD2 LYS 19 -13.187 8.009 -12.395 49 HD3 LYS 19 HD3 LYS 19 -14.108 9.511 -12.448 50 HE2 LYS 19 HE2 LYS 19 -15.297 8.695 -14.438 51 HE3 LYS 19 HE1 LYS 19 -14.364 7.196 -14.356 52 HZ1 LYS 19 HZ1 LYS 19 -16.165 8.187 -12.223 53 HZ2 LYS 19 HZ2 LYS 19 -15.359 6.677 -12.261 54 HZ3 LYS 19 HZ3 LYS 19 -16.579 7.015 -13.360 55 H LYS 20 H LYS 20 -10.339 13.154 -14.106 56 HA LYS 20 HA LYS 20 -8.419 13.229 -11.887 57 HB2 LYS 20 HB2 LYS 20 -8.792 15.127 -14.215 58 HB3 LYS 20 HB3 LYS 20 -7.945 15.604 -12.764 59 HG2 LYS 20 HG2 LYS 20 -6.281 14.995 -14.302 60 HG3 LYS 20 HG3 LYS 20 -6.385 13.648 -13.180 61 HD2 LYS 20 HD2 LYS 20 -7.804 12.441 -14.807 62 HD3 LYS 20 HD3 LYS 20 -7.623 13.799 -15.921 63 HE2 LYS 20 HE2 LYS 20 -5.359 12.140 -14.817 64 HE3 LYS 20 HE1 LYS 20 -6.074 11.926 -16.405 65 HZ1 LYS 20 HZ1 LYS 20 -4.691 14.405 -15.470 66 HZ2 LYS 20 HZ2 LYS 20 -5.381 14.172 -16.988 67 HZ3 LYS 20 HZ3 LYS 20 -4.051 13.241 -16.505 68 H ARG 21 H ARG 21 -9.596 13.506 -10.131 69 HA ARG 21 HA ARG 21 -11.731 15.547 -10.155 70 HB2 ARG 21 HB2 ARG 21 -11.568 13.040 -8.455 71 HB3 ARG 21 HB3 ARG 21 -12.874 14.217 -8.447 72 HG2 ARG 21 HG2 ARG 21 -12.132 12.426 -10.756 73 HG3 ARG 21 HG3 ARG 21 -13.479 12.186 -9.646 74 HD2 ARG 21 HD2 ARG 21 -13.108 14.550 -11.487 75 HD3 ARG 21 HD3 ARG 21 -14.182 13.193 -11.774 76 HE ARG 21 HE ARG 21 -14.811 14.296 -9.292 77 HH11 ARG 21 HH11 ARG 21 -14.970 15.091 -12.707 78 HH12 ARG 21 HH12 ARG 21 -16.286 16.156 -12.577 79 HH21 ARG 21 HH21 ARG 21 -16.608 15.753 -9.039 80 HH22 ARG 21 HH22 ARG 21 -17.258 16.546 -10.404 81 H PHE 22 H PHE 22 -12.046 16.522 -7.924 82 HA PHE 22 HA PHE 22 -9.579 17.269 -6.743 83 HB2 PHE 22 HB2 PHE 22 -12.407 17.402 -5.627 84 HB3 PHE 22 HB3 PHE 22 -11.005 18.123 -4.859 85 HD1 PHE 22 HD2 PHE 22 -9.857 20.037 -5.908 86 HD2 PHE 22 HD3 PHE 22 -13.471 18.440 -7.484 87 HE1 PHE 22 HE2 PHE 22 -10.184 22.086 -7.210 88 HE2 PHE 22 HE1 PHE 22 -13.809 20.493 -8.791 89 HZ PHE 22 HZ PHE 22 -12.166 22.321 -8.655 90 H GLU 23 H GLU 23 -8.388 16.241 -5.199 91 HA GLU 23 HA GLU 23 -9.456 13.643 -4.383 92 HB2 GLU 23 HB2 GLU 23 -7.295 12.693 -4.662 93 HB3 GLU 23 HB3 GLU 23 -7.642 13.587 -6.131 94 HG2 GLU 23 HG2 GLU 23 -5.872 14.540 -3.877 95 HG3 GLU 23 HG3 GLU 23 -5.308 13.811 -5.375 96 H VAL 24 H VAL 24 -8.004 12.743 -2.560 97 HA VAL 24 HA VAL 24 -7.315 14.901 -0.723 98 HB VAL 24 HB VAL 24 -9.320 13.880 0.149 99 HG11 VAL 24 HG11 VAL 24 -7.937 11.215 -0.024 100 HG12 VAL 24 HG12 VAL 24 -9.240 11.771 -1.071 101 HG13 VAL 24 HG13 VAL 24 -9.539 11.516 0.656 102 HG21 VAL 24 HG21 VAL 24 -7.614 14.476 1.801 103 HG22 VAL 24 HG22 VAL 24 -6.928 12.846 1.673 104 HG23 VAL 24 HG23 VAL 24 -8.540 13.074 2.330 105 H LYS 25 H LYS 25 -5.265 14.932 -0.302 106 HA LYS 25 HA LYS 25 -3.906 12.381 -0.185 107 HB2 LYS 25 HB2 LYS 25 -1.769 13.944 -0.822 108 HB3 LYS 25 HB3 LYS 25 -2.685 12.984 -1.961 109 HG2 LYS 25 HG2 LYS 25 -2.480 15.034 -3.016 110 HG3 LYS 25 HG3 LYS 25 -4.089 15.095 -2.312 111 HD2 LYS 25 HD2 LYS 25 -3.298 16.467 -0.507 112 HD3 LYS 25 HD3 LYS 25 -1.616 16.311 -1.064 113 HE2 LYS 25 HE2 LYS 25 -2.271 17.403 -3.192 114 HE3 LYS 25 HE1 LYS 25 -3.892 17.613 -2.550 115 HZ1 LYS 25 HZ1 LYS 25 -1.421 18.816 -1.400 116 HZ2 LYS 25 HZ2 LYS 25 -3.000 19.056 -0.821 117 HZ3 LYS 25 HZ3 LYS 25 -2.559 19.598 -2.368 118 H LYS 26 H LYS 26 -5.185 14.019 1.763 119 HA LYS 26 HA LYS 26 -3.001 14.299 3.708 120 HB2 LYS 26 HB2 LYS 26 -5.927 15.087 3.832 121 HB3 LYS 26 HB3 LYS 26 -4.777 15.280 5.136 122 HG2 LYS 26 HG2 LYS 26 -3.493 16.865 3.795 123 HG3 LYS 26 HG3 LYS 26 -4.637 16.635 2.463 124 HD2 LYS 26 HD2 LYS 26 -6.450 17.474 3.838 125 HD3 LYS 26 HD3 LYS 26 -5.351 17.676 5.198 126 HE2 LYS 26 HE2 LYS 26 -4.092 19.333 3.948 127 HE3 LYS 26 HE1 LYS 26 -5.134 19.087 2.540 128 HZ1 LYS 26 HZ1 LYS 26 -5.882 20.246 5.167 129 HZ2 LYS 26 HZ2 LYS 26 -6.995 19.764 3.971 130 HZ3 LYS 26 HZ3 LYS 26 -5.929 21.001 3.631 131 H SER 27 H SER 27 -2.877 12.783 5.339 132 HA SER 27 HA SER 27 -5.188 11.177 5.979 133 HB2 SER 27 HB2 SER 27 -2.585 9.988 5.003 134 HB3 SER 27 HB3 SER 27 -3.780 9.062 5.917 135 HG SER 27 HG SER 27 -5.271 9.562 4.346 136 H ASN 28 H ASN 28 -5.385 11.251 8.082 137 HA ASN 28 HA ASN 28 -2.930 11.220 9.691 138 HB2 ASN 28 HB2 ASN 28 -5.514 12.678 10.292 139 HB3 ASN 28 HB3 ASN 28 -4.202 12.463 11.449 140 HD21 ASN 28 HD21 ASN 28 -5.383 14.249 8.748 141 HD22 ASN 28 HD22 ASN 28 -4.071 15.347 8.639 142 H ALA 29 H ALA 29 -2.814 9.117 10.102 143 HA ALA 29 HA ALA 29 -4.700 8.049 11.985 144 HB1 ALA 29 HB1 ALA 29 -5.084 5.969 10.670 145 HB2 ALA 29 HB2 ALA 29 -4.319 6.758 9.274 146 HB3 ALA 29 HB3 ALA 29 -5.808 7.403 9.945 147 H SER 30 H SER 30 -3.758 6.472 13.229 148 HA SER 30 HA SER 30 -0.907 6.275 13.086 149 HB2 SER 30 HB2 SER 30 -2.766 4.732 14.897 150 HB3 SER 30 HB3 SER 30 -1.091 5.203 15.196 151 HG SER 30 HG SER 30 -3.440 6.708 15.293 152 H ALA 31 H ALA 31 -0.414 5.138 11.235 153 HA ALA 31 HA ALA 31 -0.863 2.298 11.271 154 HB1 ALA 31 HB1 ALA 31 -1.849 2.244 9.022 155 HB2 ALA 31 HB2 ALA 31 -1.938 4.004 9.012 156 HB3 ALA 31 HB3 ALA 31 -2.893 3.068 10.171 157 H GLN 32 H GLN 32 0.542 1.233 9.862 158 HA GLN 32 HA GLN 32 2.589 2.946 8.650 159 HB2 GLN 32 HB2 GLN 32 3.013 0.343 10.141 160 HB3 GLN 32 HB3 GLN 32 4.260 1.154 9.216 161 HG2 GLN 32 HG2 GLN 32 4.806 2.100 11.180 162 HG3 GLN 32 HG3 GLN 32 3.456 3.170 10.842 163 HE21 GLN 32 HE21 GLN 32 1.535 0.921 11.337 164 HE22 GLN 32 HE22 GLN 32 1.431 0.754 13.035 165 H SER 33 H SER 33 1.507 -0.442 8.722 166 HA SER 33 HA SER 33 0.910 -1.934 7.199 167 HB2 SER 33 HB2 SER 33 0.185 0.483 5.550 168 HB3 SER 33 HB3 SER 33 -0.369 -1.164 5.255 169 HG SER 33 HG SER 33 -1.202 0.686 7.023 170 H ALA 34 H ALA 34 3.198 0.370 5.980 171 HA ALA 34 HA ALA 34 3.777 -0.951 3.555 172 HB1 ALA 34 HB1 ALA 34 4.227 1.429 3.883 173 HB2 ALA 34 HB2 ALA 34 5.676 0.559 3.384 174 HB3 ALA 34 HB3 ALA 34 5.461 1.023 5.074 175 H TRP 35 H TRP 35 4.081 -3.078 4.070 176 HA TRP 35 HA TRP 35 6.817 -3.672 4.828 177 HB2 TRP 35 HB2 TRP 35 4.332 -4.962 5.916 178 HB3 TRP 35 HB3 TRP 35 5.824 -5.876 5.813 179 HD1 TRP 35 HD TRP 35 7.973 -4.782 7.207 180 HE1 TRP 35 HE1 TRP 35 7.958 -3.584 9.475 181 HE3 TRP 35 HE3 TRP 35 3.057 -3.527 7.402 182 HZ2 TRP 35 HZ2 TRP 35 6.097 -2.271 11.148 183 HZ3 TRP 35 HZ3 TRP 35 2.215 -2.283 9.382 184 HH2 TRP 35 HH TRP 35 3.721 -1.671 11.209 185 H ASP 36 H ASP 36 6.660 -6.447 4.383 186 HA ASP 36 HA ASP 36 7.043 -6.502 1.592 187 HB2 ASP 36 HB2 ASP 36 6.839 -8.730 3.606 188 HB3 ASP 36 HB3 ASP 36 7.138 -9.013 1.891 189 H ILE 37 H ILE 37 5.633 -6.445 0.077 190 HA ILE 37 HA ILE 37 3.138 -7.987 0.262 191 HB ILE 37 HB ILE 37 1.984 -6.219 -0.997 192 HG12 ILE 37 HG12 ILE 37 4.429 -4.514 -0.506 193 HG13 ILE 37 HG11 ILE 37 4.102 -5.343 -2.024 194 HG21 ILE 37 HG21 ILE 37 3.196 -5.204 1.582 195 HG22 ILE 37 HG22 ILE 37 1.759 -6.215 1.426 196 HG23 ILE 37 HG23 ILE 37 1.748 -4.575 0.802 197 HD11 ILE 37 HD11 ILE 37 2.334 -3.276 -0.743 198 HD12 ILE 37 HD31 ILE 37 3.471 -2.979 -2.052 199 HD13 ILE 37 HD21 ILE 37 2.096 -4.045 -2.315 200 H VAL 38 H VAL 38 2.214 -8.336 -1.925 201 HA VAL 38 HA VAL 38 4.160 -8.800 -4.021 202 HB VAL 38 HB VAL 38 1.127 -8.788 -4.126 203 HG11 VAL 38 HG11 VAL 38 3.147 -9.984 -6.016 204 HG12 VAL 38 HG12 VAL 38 2.073 -8.622 -6.341 205 HG13 VAL 38 HG13 VAL 38 1.407 -10.240 -6.109 206 HG21 VAL 38 HG21 VAL 38 1.936 -10.406 -2.484 207 HG22 VAL 38 HG22 VAL 38 2.948 -11.174 -3.716 208 HG23 VAL 38 HG23 VAL 38 1.186 -11.204 -3.864 209 H VAL 39 H VAL 39 4.547 -7.311 -5.737 210 HA VAL 39 HA VAL 39 3.538 -4.676 -5.227 211 HB VAL 39 HB VAL 39 5.323 -5.488 -7.543 212 HG11 VAL 39 HG11 VAL 39 4.224 -3.323 -7.855 213 HG12 VAL 39 HG12 VAL 39 5.956 -3.123 -7.599 214 HG13 VAL 39 HG13 VAL 39 4.825 -2.777 -6.286 215 HG21 VAL 39 HG21 VAL 39 7.195 -4.741 -6.168 216 HG22 VAL 39 HG22 VAL 39 6.346 -6.072 -5.372 217 HG23 VAL 39 HG23 VAL 39 6.096 -4.409 -4.837 218 H ASP 40 H ASP 40 1.445 -5.556 -5.495 219 HA ASP 40 HA ASP 40 0.275 -4.380 -7.890 220 HB2 ASP 40 HB2 ASP 40 0.436 -6.899 -8.276 221 HB3 ASP 40 HB3 ASP 40 -0.607 -7.031 -6.831 222 H ASN 41 H ASN 41 0.785 -4.200 -4.857 223 HA ASN 41 HA ASN 41 -1.892 -3.343 -4.207 224 HB2 ASN 41 HB2 ASN 41 -0.080 -4.996 -2.425 225 HB3 ASN 41 HB3 ASN 41 -1.503 -4.128 -1.848 226 HD21 ASN 41 HD21 ASN 41 -0.320 -6.899 -3.479 227 HD22 ASN 41 HD22 ASN 41 -1.830 -7.706 -3.700 228 H CYS 42 H CYS 42 -1.853 -1.698 -2.644 229 HA CYS 42 HA CYS 42 0.549 -0.026 -2.710 230 HB2 CYS 42 HB2 CYS 42 -1.899 0.828 -2.854 231 HB3 CYS 42 HB3 CYS 42 -1.999 0.392 -1.188 232 H ALA 43 H ALA 43 2.055 -0.361 -1.165 233 HA ALA 43 HA ALA 43 1.575 -2.188 0.978 234 HB1 ALA 43 HB1 ALA 43 3.862 -1.787 1.633 235 HB2 ALA 43 HB2 ALA 43 3.907 -0.308 0.684 236 HB3 ALA 43 HB3 ALA 43 3.783 -1.869 -0.132 237 H ILE 44 H ILE 44 1.461 1.155 0.563 238 HA ILE 44 HA ILE 44 2.142 1.992 3.179 239 HB ILE 44 HB ILE 44 0.741 3.467 0.962 240 HG12 ILE 44 HG12 ILE 44 3.685 3.124 1.625 241 HG13 ILE 44 HG11 ILE 44 2.808 2.454 0.304 242 HG21 ILE 44 HG21 ILE 44 2.272 4.463 3.401 243 HG22 ILE 44 HG22 ILE 44 0.531 4.647 3.117 244 HG23 ILE 44 HG23 ILE 44 1.690 5.483 2.083 245 HD11 ILE 44 HD11 ILE 44 3.189 5.398 0.667 246 HD12 ILE 44 HD31 ILE 44 4.121 4.371 -0.421 247 HD13 ILE 44 HD21 ILE 44 2.394 4.590 -0.679 248 H CYS 45 H CYS 45 -0.955 1.735 1.495 249 HA CYS 45 HA CYS 45 -2.377 2.048 4.054 250 HB2 CYS 45 HB2 CYS 45 -4.419 1.982 2.606 251 HB3 CYS 45 HB3 CYS 45 -3.306 3.280 2.139 252 H ARG 46 H ARG 46 -1.104 -0.197 1.958 253 HA ARG 46 HA ARG 46 -1.207 -2.294 1.514 254 HB2 ARG 46 HB2 ARG 46 -0.406 -2.446 3.779 255 HB3 ARG 46 HB3 ARG 46 -2.047 -2.680 4.405 256 HG2 ARG 46 HG2 ARG 46 -2.185 -4.791 3.221 257 HG3 ARG 46 HG3 ARG 46 -0.611 -4.505 2.471 258 HD2 ARG 46 HD2 ARG 46 -0.390 -6.043 4.328 259 HD3 ARG 46 HD3 ARG 46 0.433 -4.527 4.685 260 HE ARG 46 HE ARG 46 -2.268 -4.685 5.651 261 HH11 ARG 46 HH11 ARG 46 1.118 -5.369 6.385 262 HH12 ARG 46 HH12 ARG 46 0.892 -5.365 8.083 263 HH21 ARG 46 HH21 ARG 46 -2.571 -4.671 7.941 264 HH22 ARG 46 HH22 ARG 46 -1.246 -4.949 8.999 265 H ASN 47 H ASN 47 -3.040 -1.189 0.378 266 HA ASN 47 HA ASN 47 -5.143 -3.247 0.375 267 HB2 ASN 47 HB2 ASN 47 -5.912 -0.836 1.087 268 HB3 ASN 47 HB3 ASN 47 -5.709 -0.451 -0.618 269 HD21 ASN 47 HD21 ASN 47 -7.904 -0.084 -0.972 270 HD22 ASN 47 HD22 ASN 47 -9.050 -1.351 -0.976 271 H HIS 48 H HIS 48 -6.281 -2.773 -2.088 272 HA HIS 48 HA HIS 48 -4.241 -3.966 -3.662 273 HB2 HIS 48 HB2 HIS 48 -6.759 -4.428 -3.841 274 HB3 HIS 48 HB3 HIS 48 -6.828 -2.963 -4.823 275 HD2 HIS 48 HD2 HIS 48 -4.456 -6.094 -4.984 276 HE1 HIS 48 HE1 HIS 48 -5.756 -5.185 -8.891 277 HE2 HIS 48 HE2 HIS 48 -4.102 -6.382 -7.528 278 H ILE 49 H ILE 49 -3.608 -3.315 -5.913 279 HA ILE 49 HA ILE 49 -2.043 -1.130 -5.674 280 HB ILE 49 HB ILE 49 -1.420 -2.844 -7.210 281 HG12 ILE 49 HG12 ILE 49 -0.869 -1.488 -9.261 282 HG13 ILE 49 HG11 ILE 49 -2.009 -0.300 -8.675 283 HG21 ILE 49 HG21 ILE 49 -2.576 -3.207 -9.364 284 HG22 ILE 49 HG22 ILE 49 -3.870 -2.145 -8.815 285 HG23 ILE 49 HG23 ILE 49 -3.532 -3.654 -7.955 286 HD11 ILE 49 HD11 ILE 49 -0.810 0.065 -6.717 287 HD12 ILE 49 HD31 ILE 49 0.375 -1.180 -7.123 288 HD13 ILE 49 HD21 ILE 49 0.254 0.331 -8.094 289 H MET 50 H MET 50 -5.054 -1.363 -7.544 290 HA MET 50 HA MET 50 -4.944 1.501 -7.645 291 HB2 MET 50 HB2 MET 50 -4.130 0.876 -9.707 292 HB3 MET 50 HB3 MET 50 -5.343 -0.325 -10.037 293 HG2 MET 50 HG2 MET 50 -7.019 1.586 -10.130 294 HG3 MET 50 HG3 MET 50 -5.650 2.671 -9.910 295 HE1 MET 50 HE1 MET 50 -7.751 2.939 -12.245 296 HE2 MET 50 HE2 MET 50 -6.698 3.249 -13.629 297 HE3 MET 50 HE3 MET 50 -6.361 4.020 -12.077 298 H ASP 51 H ASP 51 -6.481 1.685 -6.114 299 HA ASP 51 HA ASP 51 -9.208 1.544 -6.850 300 HB2 ASP 51 HB2 ASP 51 -8.495 -0.909 -6.122 301 HB3 ASP 51 HB3 ASP 51 -8.531 -0.227 -4.503 302 H LEU 52 H LEU 52 -10.241 1.585 -4.264 303 HA LEU 52 HA LEU 52 -9.421 4.138 -3.241 304 HB2 LEU 52 HB2 LEU 52 -11.336 2.025 -2.302 305 HB3 LEU 52 HB3 LEU 52 -11.142 3.574 -1.489 306 HG LEU 52 HG LEU 52 -12.015 3.292 -4.376 307 HD11 LEU 52 HD11 LEU 52 -13.568 2.322 -2.484 308 HD12 LEU 52 HD12 LEU 52 -14.204 3.363 -3.755 309 HD13 LEU 52 HD13 LEU 52 -13.904 4.043 -2.176 310 HD21 LEU 52 HD21 LEU 52 -11.013 5.442 -3.785 311 HD22 LEU 52 HD22 LEU 52 -12.107 5.541 -2.398 312 HD23 LEU 52 HD23 LEU 52 -12.764 5.571 -4.054 313 H CYS 53 H CYS 53 -8.360 4.567 -1.299 314 HA CYS 53 HA CYS 53 -6.570 2.522 -0.261 315 HB2 CYS 53 HB2 CYS 53 -6.949 5.292 0.877 316 HB3 CYS 53 HB3 CYS 53 -5.509 4.287 0.882 317 H ILE 54 H ILE 54 -6.360 3.267 2.356 318 HA ILE 54 HA ILE 54 -7.954 1.642 3.847 319 HB ILE 54 HB ILE 54 -7.454 3.334 5.752 320 HG12 ILE 54 HG12 ILE 54 -5.665 4.389 3.533 321 HG13 ILE 54 HG11 ILE 54 -6.925 5.267 4.297 322 HG21 ILE 54 HG21 ILE 54 -5.297 1.841 4.294 323 HG22 ILE 54 HG22 ILE 54 -6.385 1.225 5.555 324 HG23 ILE 54 HG23 ILE 54 -5.201 2.485 5.938 325 HD11 ILE 54 HD11 ILE 54 -5.736 5.148 6.441 326 HD12 ILE 54 HD31 ILE 54 -4.396 4.344 5.610 327 HD13 ILE 54 HD21 ILE 54 -4.861 5.996 5.172 328 H GLU 55 H GLU 55 -8.401 4.983 4.708 329 HA GLU 55 HA GLU 55 -11.112 4.588 5.436 330 HB2 GLU 55 HB2 GLU 55 -9.626 7.165 5.026 331 HB3 GLU 55 HB3 GLU 55 -11.066 6.919 5.975 332 HG2 GLU 55 HG2 GLU 55 -9.770 5.381 7.488 333 HG3 GLU 55 HG3 GLU 55 -8.370 5.778 6.552 334 H CYS 56 H CYS 56 -9.458 5.467 2.608 335 HA CYS 56 HA CYS 56 -11.219 7.248 1.422 336 HB2 CYS 56 HB2 CYS 56 -9.427 5.239 0.085 337 HB3 CYS 56 HB3 CYS 56 -10.110 6.668 -0.662 338 H GLN 57 H GLN 57 -11.124 3.673 1.185 339 HA GLN 57 HA GLN 57 -13.230 3.524 -0.593 340 HB2 GLN 57 HB2 GLN 57 -13.528 1.164 0.253 341 HB3 GLN 57 HB3 GLN 57 -11.965 1.586 -0.431 342 HG2 GLN 57 HG2 GLN 57 -11.463 0.317 1.347 343 HG3 GLN 57 HG3 GLN 57 -11.224 1.930 1.965 344 HE21 GLN 57 HE21 GLN 57 -11.546 1.406 4.112 345 HE22 GLN 57 HE22 GLN 57 -13.079 0.921 4.767 346 H ALA 58 H ALA 58 -13.248 3.675 2.836 347 HA ALA 58 HA ALA 58 -16.032 3.241 3.148 348 HB1 ALA 58 HB1 ALA 58 -15.754 3.977 5.414 349 HB2 ALA 58 HB2 ALA 58 -14.249 4.787 5.011 350 HB3 ALA 58 HB3 ALA 58 -14.327 3.027 4.974 351 H ASN 59 H ASN 59 -14.034 6.200 3.062 352 HA ASN 59 HA ASN 59 -16.158 8.001 3.364 353 HB2 ASN 59 HB2 ASN 59 -13.346 8.193 2.416 354 HB3 ASN 59 HB3 ASN 59 -14.408 9.578 2.265 355 HD21 ASN 59 HD21 ASN 59 -12.719 7.485 4.442 356 HD22 ASN 59 HD22 ASN 59 -12.915 8.447 5.856 357 H GLN 60 H GLN 60 -14.556 6.723 0.449 358 HA GLN 60 HA GLN 60 -14.944 6.880 -1.732 359 HB2 GLN 60 HB2 GLN 60 -17.079 5.783 -1.019 360 HB3 GLN 60 HB3 GLN 60 -17.841 7.357 -0.943 361 HG2 GLN 60 HG2 GLN 60 -17.561 7.636 -3.330 362 HG3 GLN 60 HG3 GLN 60 -16.697 6.103 -3.443 363 HE21 GLN 60 HE21 GLN 60 -19.741 7.646 -3.251 364 HE22 GLN 60 HE22 GLN 60 -20.727 6.221 -3.371 365 H ALA 61 H ALA 61 -14.747 9.361 0.044 366 HA ALA 61 HA ALA 61 -16.017 11.542 -1.188 367 HB1 ALA 61 HB1 ALA 61 -14.511 12.914 0.151 368 HB2 ALA 61 HB2 ALA 61 -13.555 11.470 0.525 369 HB3 ALA 61 HB3 ALA 61 -15.220 11.595 1.086 370 H SER 62 H SER 62 -13.075 9.849 -1.951 371 HA SER 62 HA SER 62 -11.709 11.878 -3.321 372 HB2 SER 62 HB2 SER 62 -11.538 8.909 -3.875 373 HB3 SER 62 HB3 SER 62 -10.291 10.134 -4.077 374 HG SER 62 HG SER 62 -9.830 9.140 -2.214 375 H ALA 63 H ALA 63 -14.499 10.093 -4.090 376 HA ALA 63 HA ALA 63 -15.900 9.977 -5.828 377 HB1 ALA 63 HB1 ALA 63 -14.069 11.882 -7.299 378 HB2 ALA 63 HB2 ALA 63 -15.413 12.368 -6.263 379 HB3 ALA 63 HB3 ALA 63 -15.727 11.476 -7.751 380 H THR 64 H THR 64 -12.553 9.957 -7.009 381 HA THR 64 HA THR 64 -13.053 7.865 -8.916 382 HB THR 64 HB THR 64 -10.510 7.840 -8.912 383 HG1 THR 64 HG3 THR 64 -9.797 8.771 -7.156 384 HG21 THR 64 HG21 THR 64 -11.893 10.462 -9.471 385 HG22 THR 64 HG22 THR 64 -11.866 9.069 -10.551 386 HG23 THR 64 HG23 THR 64 -10.362 9.925 -10.177 387 H SER 65 H SER 65 -13.608 5.993 -8.307 388 HA SER 65 HA SER 65 -12.446 4.794 -5.880 389 HB2 SER 65 HB2 SER 65 -14.625 3.830 -7.633 390 HB3 SER 65 HB3 SER 65 -14.294 3.241 -5.990 391 HG SER 65 HG SER 65 -14.677 5.943 -6.161 392 H GLU 66 H GLU 66 -12.465 4.838 -9.257 393 HA GLU 66 HA GLU 66 -11.545 2.331 -10.026 394 HB2 GLU 66 HB2 GLU 66 -11.088 5.128 -10.946 395 HB3 GLU 66 HB3 GLU 66 -10.493 3.783 -11.909 396 HG2 GLU 66 HG2 GLU 66 -12.481 4.303 -12.956 397 HG3 GLU 66 HG3 GLU 66 -13.024 3.092 -11.806 398 H GLU 67 H GLU 67 -9.989 5.248 -8.861 399 HA GLU 67 HA GLU 67 -7.957 3.809 -7.565 400 HB2 GLU 67 HB2 GLU 67 -6.133 5.158 -8.540 401 HB3 GLU 67 HB3 GLU 67 -6.922 4.183 -9.779 402 HG2 GLU 67 HG2 GLU 67 -8.092 6.084 -10.623 403 HG3 GLU 67 HG3 GLU 67 -7.530 7.090 -9.295 404 H CYS 68 H CYS 68 -7.964 4.841 -5.633 405 HA CYS 68 HA CYS 68 -9.177 7.348 -5.182 406 HB2 CYS 68 HB2 CYS 68 -8.535 5.808 -3.327 407 HB3 CYS 68 HB3 CYS 68 -6.844 6.113 -3.667 408 H THR 69 H THR 69 -5.931 6.347 -5.824 409 HA THR 69 HA THR 69 -5.266 8.151 -7.761 410 HB THR 69 HB THR 69 -3.339 9.135 -6.002 411 HG1 THR 69 HG3 THR 69 -5.796 9.260 -4.735 412 HG21 THR 69 HG21 THR 69 -5.924 10.499 -6.791 413 HG22 THR 69 HG22 THR 69 -4.447 10.470 -7.758 414 HG23 THR 69 HG23 THR 69 -4.474 11.316 -6.216 415 H VAL 70 H VAL 70 -3.454 7.279 -8.782 416 HA VAL 70 HA VAL 70 -1.740 5.459 -7.209 417 HB VAL 70 HB VAL 70 -3.528 4.172 -8.512 418 HG11 VAL 70 HG11 VAL 70 -1.920 5.124 -10.846 419 HG12 VAL 70 HG12 VAL 70 -3.632 5.441 -10.533 420 HG13 VAL 70 HG13 VAL 70 -3.082 3.804 -10.918 421 HG21 VAL 70 HG21 VAL 70 -1.541 3.065 -7.701 422 HG22 VAL 70 HG22 VAL 70 -0.634 3.595 -9.121 423 HG23 VAL 70 HG23 VAL 70 -1.958 2.446 -9.298 424 H ALA 71 H ALA 71 0.394 5.191 -7.919 425 HA ALA 71 HA ALA 71 1.242 6.600 -10.302 426 HB1 ALA 71 HB1 ALA 71 2.364 7.233 -7.564 427 HB2 ALA 71 HB2 ALA 71 1.386 8.315 -8.546 428 HB3 ALA 71 HB3 ALA 71 2.987 7.839 -9.101 429 H TRP 72 H TRP 72 3.114 5.754 -11.183 430 HA TRP 72 HA TRP 72 3.933 3.238 -10.004 431 HB2 TRP 72 HB2 TRP 72 4.707 4.368 -12.636 432 HB3 TRP 72 HB3 TRP 72 4.757 2.702 -12.150 433 HD1 TRP 72 HD TRP 72 2.910 4.585 -14.479 434 HE1 TRP 72 HE1 TRP 72 0.524 3.757 -14.845 435 HE3 TRP 72 HE3 TRP 72 2.418 1.748 -10.323 436 HZ2 TRP 72 HZ2 TRP 72 -1.365 2.107 -13.530 437 HZ3 TRP 72 HZ3 TRP 72 0.221 0.555 -9.942 438 HH2 TRP 72 HH TRP 72 -1.577 0.756 -11.511 439 H GLY 73 H GLY 73 6.080 2.821 -9.571 440 HA2 GLY 73 HA2 GLY 73 7.788 5.164 -9.307 441 HA3 GLY 73 HA3 GLY 73 7.907 3.653 -8.410 442 H VAL 74 H VAL 74 9.726 5.256 -10.263 443 HA VAL 74 HA VAL 74 10.293 3.707 -12.542 444 HB VAL 74 HB VAL 74 12.105 5.467 -10.861 445 HG11 VAL 74 HG11 VAL 74 12.548 4.540 -13.694 446 HG12 VAL 74 HG12 VAL 74 13.387 3.897 -12.289 447 HG13 VAL 74 HG13 VAL 74 13.614 5.585 -12.749 448 HG21 VAL 74 HG21 VAL 74 11.671 7.166 -12.581 449 HG22 VAL 74 HG22 VAL 74 10.198 6.629 -11.770 450 HG23 VAL 74 HG23 VAL 74 10.565 6.042 -13.384 451 H CYS 75 H CYS 75 10.948 3.349 -9.225 452 HA CYS 75 HA CYS 75 13.135 1.499 -9.389 453 HB2 CYS 75 HB2 CYS 75 12.717 3.166 -7.558 454 HB3 CYS 75 HB3 CYS 75 11.350 2.202 -7.046 455 H ASN 76 H ASN 76 10.482 0.895 -10.722 456 HA ASN 76 HA ASN 76 9.195 -0.863 -11.246 457 HB2 ASN 76 HB2 ASN 76 11.455 -2.013 -11.246 458 HB3 ASN 76 HB3 ASN 76 11.095 -2.553 -9.612 459 HD21 ASN 76 HD21 ASN 76 11.077 -4.767 -10.201 460 HD22 ASN 76 HD22 ASN 76 9.807 -5.445 -11.161 461 H HIS 77 H HIS 77 8.459 0.666 -9.218 462 HA HIS 77 HA HIS 77 7.102 -1.249 -7.512 463 HB2 HIS 77 HB2 HIS 77 8.626 1.139 -6.704 464 HB3 HIS 77 HB3 HIS 77 7.123 0.807 -5.824 465 HD2 HIS 77 HD2 HIS 77 7.433 -2.447 -5.648 466 HE1 HIS 77 HE1 HIS 77 11.030 -1.564 -3.606 467 HE2 HIS 77 HE2 HIS 77 9.296 -3.325 -4.107 468 H ALA 78 H ALA 78 5.057 -0.414 -6.557 469 HA ALA 78 HA ALA 78 3.871 1.719 -8.089 470 HB1 ALA 78 HB1 ALA 78 2.039 0.312 -8.818 471 HB2 ALA 78 HB2 ALA 78 2.750 -1.077 -8.007 472 HB3 ALA 78 HB3 ALA 78 3.564 -0.360 -9.397 473 H PHE 79 H PHE 79 2.600 2.901 -6.766 474 HA PHE 79 HA PHE 79 1.377 1.664 -4.427 475 HB2 PHE 79 HB2 PHE 79 3.144 4.110 -4.337 476 HB3 PHE 79 HB3 PHE 79 2.151 3.563 -3.000 477 HD1 PHE 79 HD2 PHE 79 2.799 1.343 -1.875 478 HD2 PHE 79 HD3 PHE 79 5.244 3.216 -4.810 479 HE1 PHE 79 HE2 PHE 79 4.770 -0.061 -1.183 480 HE2 PHE 79 HE1 PHE 79 7.144 1.826 -4.109 481 HZ PHE 79 HZ PHE 79 6.889 0.213 -2.310 482 H HIS 80 H HIS 80 -0.093 3.403 -3.385 483 HA HIS 80 HA HIS 80 -1.604 4.677 -5.447 484 HB2 HIS 80 HB2 HIS 80 -1.707 4.631 -2.465 485 HB3 HIS 80 HB3 HIS 80 -2.712 5.733 -3.382 486 HD2 HIS 80 HD2 HIS 80 -3.295 3.173 -5.678 487 HE1 HIS 80 HE1 HIS 80 -5.434 1.662 -2.347 488 HE2 HIS 80 HE2 HIS 80 -4.607 1.209 -4.636 489 H PHE 81 H PHE 81 -1.519 6.776 -6.015 490 HA PHE 81 HA PHE 81 0.770 8.236 -5.390 491 HB2 PHE 81 HB2 PHE 81 -0.301 8.645 -7.454 492 HB3 PHE 81 HB3 PHE 81 -1.799 9.154 -6.787 493 HD1 PHE 81 HD3 PHE 81 1.765 10.007 -7.183 494 HD2 PHE 81 HD2 PHE 81 -2.119 11.450 -6.217 495 HE1 PHE 81 HE1 PHE 81 2.589 12.324 -7.344 496 HE2 PHE 81 HE2 PHE 81 -1.307 13.768 -6.375 497 HZ PHE 81 HZ PHE 81 1.058 14.202 -6.943 498 H HIS 82 H HIS 82 -2.453 8.324 -4.077 499 HA HIS 82 HA HIS 82 -2.233 10.495 -2.294 500 HB2 HIS 82 HB2 HIS 82 -4.356 9.311 -2.681 501 HB3 HIS 82 HB3 HIS 82 -3.692 7.857 -1.976 502 HD2 HIS 82 HD2 HIS 82 -2.833 10.684 0.388 503 HE1 HIS 82 HE1 HIS 82 -6.597 9.236 1.675 504 HE2 HIS 82 HE2 HIS 82 -4.474 10.272 2.361 505 H CYS 83 H CYS 83 -1.476 7.049 -1.784 506 HA CYS 83 HA CYS 83 -0.675 7.398 0.883 507 HB2 CYS 83 HB2 CYS 83 -0.149 5.075 -0.973 508 HB3 CYS 83 HB3 CYS 83 -0.067 5.137 0.789 509 H ILE 84 H ILE 84 1.058 7.010 -2.186 510 HA ILE 84 HA ILE 84 3.593 6.954 -0.942 511 HB ILE 84 HB ILE 84 3.195 6.105 -3.300 512 HG12 ILE 84 HG12 ILE 84 5.340 6.980 -4.234 513 HG13 ILE 84 HG11 ILE 84 5.416 8.088 -2.881 514 HG21 ILE 84 HG21 ILE 84 3.421 8.971 -4.123 515 HG22 ILE 84 HG22 ILE 84 1.914 8.081 -3.935 516 HG23 ILE 84 HG23 ILE 84 3.090 7.540 -5.148 517 HD11 ILE 84 HD11 ILE 84 5.437 5.079 -2.681 518 HD12 ILE 84 HD31 ILE 84 6.818 6.149 -2.465 519 HD13 ILE 84 HD21 ILE 84 5.490 6.191 -1.314 520 H SER 85 H SER 85 1.620 9.597 -2.062 521 HA SER 85 HA SER 85 3.481 11.731 -1.842 522 HB2 SER 85 HB2 SER 85 0.581 11.677 -1.121 523 HB3 SER 85 HB3 SER 85 1.521 13.152 -1.358 524 HG SER 85 HG SER 85 0.901 11.184 -3.313 525 H ARG 86 H ARG 86 1.317 10.224 0.554 526 HA ARG 86 HA ARG 86 1.861 11.721 2.770 527 HB2 ARG 86 HB2 ARG 86 -0.030 10.326 2.489 528 HB3 ARG 86 HB3 ARG 86 0.968 8.984 2.040 529 HG2 ARG 86 HG2 ARG 86 -0.041 8.725 3.964 530 HG3 ARG 86 HG3 ARG 86 1.734 8.726 4.214 531 HD2 ARG 86 HD2 ARG 86 1.465 11.094 5.121 532 HD3 ARG 86 HD3 ARG 86 -0.285 10.901 4.990 533 HE ARG 86 HE ARG 86 0.278 8.845 6.519 534 HH11 ARG 86 HH11 ARG 86 1.440 12.165 6.794 535 HH12 ARG 86 HH12 ARG 86 1.729 12.096 8.465 536 HH21 ARG 86 HH21 ARG 86 0.647 8.710 8.808 537 HH22 ARG 86 HH22 ARG 86 1.258 10.037 9.668 538 H TRP 87 H TRP 87 3.302 8.753 1.446 539 HA TRP 87 HA TRP 87 5.169 8.272 3.522 540 HB2 TRP 87 HB2 TRP 87 4.500 6.521 1.957 541 HB3 TRP 87 HB3 TRP 87 5.098 7.477 0.610 542 HD1 TRP 87 HD TRP 87 7.520 7.013 -0.107 543 HE1 TRP 87 HE1 TRP 87 9.476 5.752 0.929 544 HE3 TRP 87 HE3 TRP 87 5.481 5.951 4.436 545 HZ2 TRP 87 HZ2 TRP 87 10.119 4.451 3.364 546 HZ3 TRP 87 HZ3 TRP 87 6.837 4.684 6.087 547 HH2 TRP 87 HH TRP 87 9.113 3.955 5.544 548 H LEU 88 H LEU 88 5.437 9.876 0.407 549 HA LEU 88 HA LEU 88 8.182 10.422 0.671 550 HB2 LEU 88 HB2 LEU 88 6.088 11.500 -1.163 551 HB3 LEU 88 HB3 LEU 88 7.796 11.895 -1.301 552 HG LEU 88 HG LEU 88 6.741 9.092 -1.372 553 HD11 LEU 88 HD11 LEU 88 7.444 10.944 -3.643 554 HD12 LEU 88 HD12 LEU 88 5.837 10.314 -3.188 555 HD13 LEU 88 HD13 LEU 88 7.089 9.205 -3.737 556 HD21 LEU 88 HD21 LEU 88 9.110 9.326 -0.702 557 HD22 LEU 88 HD22 LEU 88 9.435 10.236 -2.180 558 HD23 LEU 88 HD23 LEU 88 8.938 8.559 -2.271 559 H LYS 89 H LYS 89 5.401 12.238 1.618 560 HA LYS 89 HA LYS 89 6.831 14.614 2.084 561 HB2 LYS 89 HB2 LYS 89 4.286 13.628 3.362 562 HB3 LYS 89 HB3 LYS 89 4.995 15.201 3.727 563 HG2 LYS 89 HG2 LYS 89 4.823 15.807 1.331 564 HG3 LYS 89 HG3 LYS 89 4.048 14.261 1.027 565 HD2 LYS 89 HD2 LYS 89 2.973 16.319 2.945 566 HD3 LYS 89 HD3 LYS 89 2.495 16.230 1.250 567 HE2 LYS 89 HE2 LYS 89 1.751 13.872 1.680 568 HE3 LYS 89 HE1 LYS 89 2.075 14.156 3.393 569 HZ1 LYS 89 HZ1 LYS 89 0.108 15.590 1.692 570 HZ2 LYS 89 HZ2 LYS 89 0.511 16.074 3.223 571 HZ3 LYS 89 HZ3 LYS 89 -0.255 14.571 3.005 572 H THR 90 H THR 90 6.423 11.716 3.989 573 HA THR 90 HA THR 90 8.102 12.975 5.984 574 HB THR 90 HB THR 90 6.157 11.818 6.878 575 HG1 THR 90 HG3 THR 90 8.270 11.852 7.956 576 HG21 THR 90 HG21 THR 90 6.029 9.337 6.842 577 HG22 THR 90 HG22 THR 90 7.393 9.315 5.720 578 HG23 THR 90 HG23 THR 90 5.873 10.041 5.235 579 H ARG 91 H ARG 91 8.428 10.584 3.427 580 HA ARG 91 HA ARG 91 11.223 10.139 4.254 581 HB2 ARG 91 HB2 ARG 91 9.366 8.002 3.183 582 HB3 ARG 91 HB3 ARG 91 11.074 7.829 3.456 583 HG2 ARG 91 HG2 ARG 91 9.027 8.388 5.587 584 HG3 ARG 91 HG3 ARG 91 9.752 6.834 5.236 585 HD2 ARG 91 HD2 ARG 91 11.943 7.612 5.748 586 HD3 ARG 91 HD3 ARG 91 11.369 9.257 5.991 587 HE ARG 91 HE ARG 91 10.871 6.937 7.723 588 HH11 ARG 91 HH11 ARG 91 10.750 10.482 7.255 589 HH12 ARG 91 HH12 ARG 91 10.595 10.802 8.915 590 HH21 ARG 91 HH21 ARG 91 10.677 7.480 10.037 591 HH22 ARG 91 HH22 ARG 91 10.535 9.133 10.482 592 H GLN 92 H GLN 92 12.698 9.645 2.599 593 HA GLN 92 HA GLN 92 11.919 10.798 0.013 594 HB2 GLN 92 HB2 GLN 92 14.574 10.347 1.317 595 HB3 GLN 92 HB3 GLN 92 14.411 10.877 -0.346 596 HG2 GLN 92 HG2 GLN 92 13.223 12.893 0.463 597 HG3 GLN 92 HG3 GLN 92 13.438 12.338 2.117 598 HE21 GLN 92 HE21 GLN 92 15.497 12.427 3.050 599 HE22 GLN 92 HE22 GLN 92 16.768 13.350 2.321 600 H VAL 93 H VAL 93 12.349 7.779 1.348 601 HA VAL 93 HA VAL 93 13.411 6.652 -1.168 602 HB VAL 93 HB VAL 93 14.434 4.842 0.260 603 HG11 VAL 93 HG11 VAL 93 15.336 7.670 0.742 604 HG12 VAL 93 HG12 VAL 93 15.812 6.610 -0.598 605 HG13 VAL 93 HG13 VAL 93 16.306 6.228 1.055 606 HG21 VAL 93 HG21 VAL 93 13.702 6.758 2.439 607 HG22 VAL 93 HG22 VAL 93 14.759 5.351 2.656 608 HG23 VAL 93 HG23 VAL 93 13.042 5.137 2.249 609 H CYS 94 H CYS 94 12.757 4.519 -1.721 610 HA CYS 94 HA CYS 94 10.121 3.858 -1.565 611 HB2 CYS 94 HB2 CYS 94 12.500 2.012 -1.796 612 HB3 CYS 94 HB3 CYS 94 10.848 1.455 -1.948 613 HA PRO 95 HA PRO 95 9.602 2.493 2.688 614 HB2 PRO 95 HB2 PRO 95 7.279 1.135 2.332 615 HB3 PRO 95 HB3 PRO 95 7.342 2.904 2.451 616 HG2 PRO 95 HG2 PRO 95 7.139 1.152 0.033 617 HG3 PRO 95 HG3 PRO 95 6.307 2.677 0.376 618 HD2 PRO 95 HD2 PRO 95 8.466 2.514 -1.246 619 HD3 PRO 95 HD3 PRO 95 8.176 3.957 -0.264 620 H LEU 96 H LEU 96 9.788 0.555 -0.059 621 HA LEU 96 HA LEU 96 9.969 -1.947 1.478 622 HB2 LEU 96 HB2 LEU 96 9.832 -1.602 -1.518 623 HB3 LEU 96 HB3 LEU 96 9.640 -3.080 -0.623 624 HG LEU 96 HG LEU 96 7.727 -0.772 -0.649 625 HD11 LEU 96 HD11 LEU 96 7.469 -3.542 -1.765 626 HD12 LEU 96 HD12 LEU 96 7.809 -2.075 -2.674 627 HD13 LEU 96 HD13 LEU 96 6.259 -2.248 -1.854 628 HD21 LEU 96 HD21 LEU 96 6.257 -2.194 0.664 629 HD22 LEU 96 HD22 LEU 96 7.759 -1.872 1.547 630 HD23 LEU 96 HD23 LEU 96 7.512 -3.437 0.759 631 H ASP 97 H ASP 97 11.650 -0.024 -0.982 632 HA ASP 97 HA ASP 97 13.934 -1.875 -0.970 633 HB2 ASP 97 HB2 ASP 97 13.253 0.467 -2.701 634 HB3 ASP 97 HB3 ASP 97 14.820 -0.337 -2.774 635 H ASN 98 H ASN 98 13.093 1.184 0.384 636 HA ASN 98 HA ASN 98 14.208 2.892 1.285 637 HB2 ASN 98 HB2 ASN 98 16.088 0.634 1.935 638 HB3 ASN 98 HB3 ASN 98 16.395 2.280 2.505 639 HD21 ASN 98 HD21 ASN 98 16.190 1.686 4.647 640 HD22 ASN 98 HD22 ASN 98 14.667 1.296 5.371 641 H ARG 99 H ARG 99 14.580 2.428 -1.505 642 HA ARG 99 HA ARG 99 17.217 3.671 -2.064 643 HB2 ARG 99 HB2 ARG 99 15.080 2.649 -3.962 644 HB3 ARG 99 HB3 ARG 99 16.684 3.210 -4.406 645 HG2 ARG 99 HG2 ARG 99 16.207 0.907 -2.634 646 HG3 ARG 99 HG3 ARG 99 16.298 0.713 -4.409 647 HD2 ARG 99 HD2 ARG 99 18.606 1.613 -4.273 648 HD3 ARG 99 HD3 ARG 99 18.436 1.746 -2.526 649 HE ARG 99 HE ARG 99 17.809 -0.875 -3.284 650 HH11 ARG 99 HH11 ARG 99 20.674 1.216 -3.118 651 HH12 ARG 99 HH12 ARG 99 21.756 -0.066 -2.864 652 HH21 ARG 99 HH21 ARG 99 19.231 -2.573 -2.962 653 HH22 ARG 99 HH22 ARG 99 20.911 -2.359 -2.763 654 H GLU 100 H GLU 100 17.061 5.706 -3.263 655 HA GLU 100 HA GLU 100 14.924 7.322 -2.307 656 HB2 GLU 100 HB2 GLU 100 17.131 8.291 -2.897 657 HB3 GLU 100 HB3 GLU 100 16.796 7.986 -4.594 658 HG2 GLU 100 HG2 GLU 100 14.917 9.517 -4.532 659 HG3 GLU 100 HG3 GLU 100 15.163 9.784 -2.809 660 H TRP 101 H TRP 101 12.940 7.721 -3.037 661 HA TRP 101 HA TRP 101 11.999 5.998 -5.063 662 HB2 TRP 101 HB2 TRP 101 10.501 6.233 -3.283 663 HB3 TRP 101 HB3 TRP 101 10.699 7.954 -3.173 664 HD1 TRP 101 HD TRP 101 9.283 9.432 -4.883 665 HE1 TRP 101 HE1 TRP 101 7.164 8.932 -6.273 666 HE3 TRP 101 HE3 TRP 101 9.338 4.404 -4.535 667 HZ2 TRP 101 HZ2 TRP 101 5.712 6.688 -7.097 668 HZ3 TRP 101 HZ3 TRP 101 7.537 3.106 -5.668 669 HH2 TRP 101 HH TRP 101 5.759 4.270 -6.922 670 H GLU 102 H GLU 102 11.373 6.474 -7.092 671 HA GLU 102 HA GLU 102 11.381 9.274 -7.981 672 HB2 GLU 102 HB2 GLU 102 12.580 6.891 -9.380 673 HB3 GLU 102 HB3 GLU 102 12.310 8.436 -10.176 674 HG2 GLU 102 HG2 GLU 102 13.842 9.514 -8.632 675 HG3 GLU 102 HG3 GLU 102 14.059 7.994 -7.765 676 H PHE 103 H PHE 103 9.671 9.839 -9.241 677 HA PHE 103 HA PHE 103 7.513 7.934 -9.534 678 HB2 PHE 103 HB2 PHE 103 7.786 10.841 -10.296 679 HB3 PHE 103 HB3 PHE 103 6.371 9.898 -10.693 680 HD1 PHE 103 HD2 PHE 103 4.972 8.996 -8.883 681 HD2 PHE 103 HD3 PHE 103 8.120 11.719 -8.180 682 HE1 PHE 103 HE2 PHE 103 3.973 9.546 -6.689 683 HE2 PHE 103 HE1 PHE 103 7.154 12.298 -5.976 684 HZ PHE 103 HZ PHE 103 5.074 11.209 -5.235 685 H GLN 104 H GLN 104 6.989 6.854 -11.290 686 HA GLN 104 HA GLN 104 8.626 7.118 -13.668 687 HB2 GLN 104 HB2 GLN 104 8.216 4.902 -12.721 688 HB3 GLN 104 HB3 GLN 104 6.495 5.142 -12.892 689 HG2 GLN 104 HG2 GLN 104 6.727 5.178 -15.306 690 HG3 GLN 104 HG3 GLN 104 8.483 4.942 -15.128 691 HE21 GLN 104 HE21 GLN 104 9.245 2.983 -14.454 692 HE22 GLN 104 HE22 GLN 104 8.300 1.539 -14.440 693 H LYS 105 H LYS 105 5.128 6.785 -12.994 694 HA LYS 105 HA LYS 105 4.376 9.031 -14.525 695 HB2 LYS 105 HB2 LYS 105 4.947 7.355 -16.328 696 HB3 LYS 105 HB3 LYS 105 3.733 6.283 -15.658 697 HG2 LYS 105 HG2 LYS 105 1.992 7.874 -16.229 698 HG3 LYS 105 HG3 LYS 105 3.196 9.015 -16.827 699 HD2 LYS 105 HD2 LYS 105 3.907 7.366 -18.514 700 HD3 LYS 105 HD3 LYS 105 2.688 6.243 -17.928 701 HE2 LYS 105 HE2 LYS 105 0.933 7.837 -18.560 702 HE3 LYS 105 HE1 LYS 105 2.167 8.960 -19.130 703 HZ1 LYS 105 HZ1 LYS 105 1.687 6.235 -20.207 704 HZ2 LYS 105 HZ2 LYS 105 2.860 7.289 -20.754 705 HZ3 LYS 105 HZ3 LYS 105 1.225 7.665 -20.987 706 H TYR 106 H TYR 106 2.057 9.388 -14.165 707 HA TYR 106 HA TYR 106 1.183 7.952 -11.787 708 HB2 TYR 106 HB2 TYR 106 -0.530 9.625 -11.505 709 HB3 TYR 106 HB3 TYR 106 0.980 10.438 -11.892 710 HD1 TYR 106 HD3 TYR 106 1.221 11.577 -14.046 711 HD2 TYR 106 HD2 TYR 106 -2.419 9.677 -12.994 712 HE1 TYR 106 HE1 TYR 106 0.060 12.795 -15.855 713 HE2 TYR 106 HE2 TYR 106 -3.578 10.866 -14.788 714 HH TYR 106 HH TYR 106 -1.983 12.493 -17.266 715 H GLY 107 H GLY 107 0.640 7.649 -15.104 716 HA2 GLY 107 HA2 GLY 107 -1.732 6.005 -14.549 717 HA3 GLY 107 HA3 GLY 107 -1.676 7.104 -15.920 718 H HIS 108 H HIS 108 -2.058 4.240 -15.935 719 HA HIS 108 HA HIS 108 0.373 3.356 -17.277 720 HB2 HIS 108 HB2 HIS 108 -0.690 1.079 -17.234 721 HB3 HIS 108 HB3 HIS 108 -0.424 1.763 -15.631 722 HD2 HIS 108 HD2 HIS 108 -3.220 0.126 -17.604 723 HE1 HIS 108 HE1 HIS 108 -5.068 2.263 -14.440 724 HE2 HIS 108 HE2 HIS 108 -5.420 0.571 -16.252 Start of MODEL 13 1 H1 GLY 9 H GLY 9 11.663 8.826 -16.682 2 HA2 GLY 9 HA2 GLY 9 9.084 8.751 -15.507 3 HA3 GLY 9 HA3 GLY 9 10.593 9.063 -14.677 4 H GLY 10 H GLY 10 8.313 10.404 -13.985 5 HA2 GLY 10 HA2 GLY 10 8.940 13.123 -14.873 6 HA3 GLY 10 HA3 GLY 10 7.276 12.554 -14.842 7 H GLY 11 H GLY 11 6.367 13.646 -13.257 8 HA2 GLY 11 HA2 GLY 11 6.133 13.205 -10.744 9 HA3 GLY 11 HA3 GLY 11 7.767 13.864 -10.679 10 H GLY 12 H GLY 12 7.442 15.750 -12.759 11 HA2 GLY 12 HA2 GLY 12 6.776 17.895 -13.128 12 HA3 GLY 12 HA3 GLY 12 5.211 17.413 -12.497 13 H THR 13 H THR 13 4.674 19.014 -11.212 14 HA THR 13 HA THR 13 6.277 19.438 -8.851 15 HB THR 13 HB THR 13 7.017 21.188 -10.482 16 HG1 THR 13 HG3 THR 13 6.538 21.489 -8.047 17 HG21 THR 13 HG21 THR 13 4.986 21.486 -11.777 18 HG22 THR 13 HG22 THR 13 5.428 23.025 -11.039 19 HG23 THR 13 HG23 THR 13 4.124 22.056 -10.350 20 H ASN 14 H ASN 14 5.038 20.428 -7.157 21 HA ASN 14 HA ASN 14 2.274 19.574 -7.255 22 HB2 ASN 14 HB2 ASN 14 3.964 20.682 -5.002 23 HB3 ASN 14 HB3 ASN 14 2.286 20.188 -4.824 24 HD21 ASN 14 HD21 ASN 14 5.563 19.105 -5.320 25 HD22 ASN 14 HD22 ASN 14 5.264 17.441 -5.004 26 H SER 15 H SER 15 1.073 20.984 -8.409 27 HA SER 15 HA SER 15 1.298 23.826 -7.995 28 HB2 SER 15 HB2 SER 15 -0.666 22.255 -9.677 29 HB3 SER 15 HB3 SER 15 -0.326 23.981 -9.784 30 HG SER 15 HG SER 15 1.940 23.149 -10.043 31 H GLY 16 H GLY 16 -0.197 25.102 -6.982 32 HA2 GLY 16 HA2 GLY 16 -2.673 23.995 -5.989 33 HA3 GLY 16 HA3 GLY 16 -1.487 24.333 -4.736 34 H ALA 17 H ALA 17 -3.036 25.843 -7.539 35 HA ALA 17 HA ALA 17 -2.559 28.505 -6.753 36 HB1 ALA 17 HB1 ALA 17 -4.299 29.105 -8.377 37 HB2 ALA 17 HB2 ALA 17 -4.764 27.404 -8.506 38 HB3 ALA 17 HB3 ALA 17 -3.172 27.926 -9.042 39 H GLY 18 H GLY 18 -5.246 26.284 -6.089 40 HA2 GLY 18 HA2 GLY 18 -5.940 27.723 -3.742 41 HA3 GLY 18 HA3 GLY 18 -7.100 28.008 -5.032 42 H LYS 19 H LYS 19 -5.583 25.509 -3.048 43 HA LYS 19 HA LYS 19 -8.059 23.999 -3.236 44 HB2 LYS 19 HB2 LYS 19 -6.901 21.879 -3.581 45 HB3 LYS 19 HB3 LYS 19 -6.551 22.985 -4.898 46 HG2 LYS 19 HG2 LYS 19 -4.370 23.476 -3.873 47 HG3 LYS 19 HG3 LYS 19 -4.729 22.314 -2.587 48 HD2 LYS 19 HD2 LYS 19 -4.915 20.529 -4.273 49 HD3 LYS 19 HD3 LYS 19 -4.541 21.704 -5.539 50 HE2 LYS 19 HE2 LYS 19 -2.364 22.110 -4.519 51 HE3 LYS 19 HE1 LYS 19 -2.725 20.940 -3.247 52 HZ1 LYS 19 HZ1 LYS 19 -2.483 20.364 -6.152 53 HZ2 LYS 19 HZ2 LYS 19 -2.887 19.214 -5.028 54 HZ3 LYS 19 HZ3 LYS 19 -1.350 19.928 -4.988 55 H LYS 20 H LYS 20 -8.444 22.619 -1.473 56 HA LYS 20 HA LYS 20 -7.283 23.728 0.943 57 HB2 LYS 20 HB2 LYS 20 -9.097 22.746 2.128 58 HB3 LYS 20 HB3 LYS 20 -9.757 23.453 0.671 59 HG2 LYS 20 HG2 LYS 20 -9.841 21.217 -0.372 60 HG3 LYS 20 HG3 LYS 20 -9.182 20.533 1.121 61 HD2 LYS 20 HD2 LYS 20 -11.168 21.455 2.331 62 HD3 LYS 20 HD3 LYS 20 -11.836 21.946 0.777 63 HE2 LYS 20 HE2 LYS 20 -11.153 19.111 1.569 64 HE3 LYS 20 HE1 LYS 20 -12.773 19.791 1.551 65 HZ1 LYS 20 HZ1 LYS 20 -12.544 20.126 -0.841 66 HZ2 LYS 20 HZ2 LYS 20 -12.339 18.505 -0.434 67 HZ3 LYS 20 HZ3 LYS 20 -11.006 19.433 -0.828 68 H ARG 21 H ARG 21 -6.294 22.527 2.547 69 HA ARG 21 HA ARG 21 -5.962 19.673 2.104 70 HB2 ARG 21 HB2 ARG 21 -3.582 19.689 2.526 71 HB3 ARG 21 HB3 ARG 21 -3.914 20.751 1.164 72 HG2 ARG 21 HG2 ARG 21 -3.673 22.692 2.583 73 HG3 ARG 21 HG3 ARG 21 -3.435 21.665 4.001 74 HD2 ARG 21 HD2 ARG 21 -1.430 20.705 2.917 75 HD3 ARG 21 HD3 ARG 21 -1.650 21.816 1.568 76 HE ARG 21 HE ARG 21 -1.585 23.329 3.878 77 HH11 ARG 21 HH11 ARG 21 0.597 21.225 2.084 78 HH12 ARG 21 HH12 ARG 21 2.024 21.995 2.611 79 HH21 ARG 21 HH21 ARG 21 0.373 24.392 4.632 80 HH22 ARG 21 HH22 ARG 21 1.899 23.846 4.087 81 H PHE 22 H PHE 22 -5.523 18.518 4.016 82 HA PHE 22 HA PHE 22 -5.723 20.078 6.499 83 HB2 PHE 22 HB2 PHE 22 -7.124 17.469 5.836 84 HB3 PHE 22 HB3 PHE 22 -7.056 18.192 7.431 85 HD1 PHE 22 HD3 PHE 22 -8.389 20.162 7.949 86 HD2 PHE 22 HD2 PHE 22 -8.540 18.357 4.100 87 HE1 PHE 22 HE1 PHE 22 -10.443 21.421 7.447 88 HE2 PHE 22 HE2 PHE 22 -10.599 19.602 3.594 89 HZ PHE 22 HZ PHE 22 -11.551 21.139 5.265 90 H GLU 23 H GLU 23 -4.390 19.326 8.102 91 HA GLU 23 HA GLU 23 -2.475 17.307 7.371 92 HB2 GLU 23 HB2 GLU 23 -1.375 17.746 9.498 93 HB3 GLU 23 HB3 GLU 23 -1.749 19.269 8.708 94 HG2 GLU 23 HG2 GLU 23 -3.392 18.046 10.916 95 HG3 GLU 23 HG3 GLU 23 -2.109 19.225 11.166 96 H VAL 24 H VAL 24 -2.050 15.488 8.941 97 HA VAL 24 HA VAL 24 -4.594 14.182 9.140 98 HB VAL 24 HB VAL 24 -3.307 12.102 9.799 99 HG11 VAL 24 HG11 VAL 24 -2.515 13.475 7.231 100 HG12 VAL 24 HG12 VAL 24 -4.001 12.564 7.484 101 HG13 VAL 24 HG13 VAL 24 -2.440 11.743 7.532 102 HG21 VAL 24 HG21 VAL 24 -1.312 13.203 10.721 103 HG22 VAL 24 HG22 VAL 24 -0.930 13.840 9.121 104 HG23 VAL 24 HG23 VAL 24 -0.883 12.100 9.411 105 H LYS 25 H LYS 25 -5.448 15.536 10.680 106 HA LYS 25 HA LYS 25 -4.855 15.384 13.448 107 HB2 LYS 25 HB2 LYS 25 -7.423 15.958 11.974 108 HB3 LYS 25 HB3 LYS 25 -7.314 15.946 13.725 109 HG2 LYS 25 HG2 LYS 25 -5.660 17.734 11.945 110 HG3 LYS 25 HG3 LYS 25 -7.199 18.216 12.672 111 HD2 LYS 25 HD2 LYS 25 -6.131 17.550 14.905 112 HD3 LYS 25 HD3 LYS 25 -4.604 17.540 14.030 113 HE2 LYS 25 HE2 LYS 25 -6.478 19.906 14.179 114 HE3 LYS 25 HE1 LYS 25 -5.075 19.677 15.215 115 HZ1 LYS 25 HZ1 LYS 25 -3.656 19.756 13.333 116 HZ2 LYS 25 HZ2 LYS 25 -4.632 21.146 13.286 117 HZ3 LYS 25 HZ3 LYS 25 -4.943 19.861 12.248 118 H LYS 26 H LYS 26 -6.889 13.461 11.332 119 HA LYS 26 HA LYS 26 -7.068 11.402 13.418 120 HB2 LYS 26 HB2 LYS 26 -9.132 12.134 11.317 121 HB3 LYS 26 HB3 LYS 26 -9.217 10.727 12.367 122 HG2 LYS 26 HG2 LYS 26 -9.316 12.209 14.324 123 HG3 LYS 26 HG3 LYS 26 -9.256 13.609 13.249 124 HD2 LYS 26 HD2 LYS 26 -11.339 12.871 12.190 125 HD3 LYS 26 HD3 LYS 26 -11.403 11.491 13.291 126 HE2 LYS 26 HE2 LYS 26 -11.526 13.033 15.186 127 HE3 LYS 26 HE1 LYS 26 -11.494 14.401 14.065 128 HZ1 LYS 26 HZ1 LYS 26 -13.595 12.327 14.335 129 HZ2 LYS 26 HZ2 LYS 26 -13.522 13.379 13.038 130 HZ3 LYS 26 HZ3 LYS 26 -13.758 14.006 14.602 131 H SER 27 H SER 27 -7.062 9.190 12.547 132 HA SER 27 HA SER 27 -6.111 7.576 11.315 133 HB2 SER 27 HB2 SER 27 -6.513 9.427 8.951 134 HB3 SER 27 HB3 SER 27 -6.323 7.679 8.885 135 HG SER 27 HG SER 27 -8.269 7.581 10.200 136 H ASN 28 H ASN 28 -4.484 9.673 12.512 137 HA ASN 28 HA ASN 28 -2.419 10.419 10.710 138 HB2 ASN 28 HB2 ASN 28 -1.181 11.292 12.660 139 HB3 ASN 28 HB3 ASN 28 -2.842 11.837 12.633 140 HD21 ASN 28 HD21 ASN 28 -2.804 12.337 14.865 141 HD22 ASN 28 HD22 ASN 28 -2.802 11.086 16.045 142 H ALA 29 H ALA 29 -2.800 7.712 12.843 143 HA ALA 29 HA ALA 29 -0.066 6.856 12.287 144 HB1 ALA 29 HB1 ALA 29 -0.465 5.204 14.075 145 HB2 ALA 29 HB2 ALA 29 -2.093 5.853 14.283 146 HB3 ALA 29 HB3 ALA 29 -0.690 6.865 14.613 147 H SER 30 H SER 30 -2.937 6.622 10.853 148 HA SER 30 HA SER 30 -3.146 3.824 10.426 149 HB2 SER 30 HB2 SER 30 -4.362 6.099 8.851 150 HB3 SER 30 HB3 SER 30 -4.864 4.406 8.797 151 HG SER 30 HG SER 30 -5.665 4.544 10.771 152 H ALA 31 H ALA 31 -1.253 3.112 9.756 153 HA ALA 31 HA ALA 31 -0.792 2.995 6.962 154 HB1 ALA 31 HB1 ALA 31 1.551 3.816 7.030 155 HB2 ALA 31 HB2 ALA 31 1.308 4.349 8.694 156 HB3 ALA 31 HB3 ALA 31 0.405 5.106 7.384 157 H GLN 32 H GLN 32 0.729 1.268 6.541 158 HA GLN 32 HA GLN 32 0.634 -0.668 8.649 159 HB2 GLN 32 HB2 GLN 32 1.851 -0.777 5.900 160 HB3 GLN 32 HB3 GLN 32 1.845 -2.128 7.026 161 HG2 GLN 32 HG2 GLN 32 -0.602 -0.755 5.937 162 HG3 GLN 32 HG3 GLN 32 0.092 -2.275 5.367 163 HE21 GLN 32 HE21 GLN 32 0.786 -3.261 8.009 164 HE22 GLN 32 HE22 GLN 32 -0.699 -3.708 8.758 165 H SER 33 H SER 33 1.985 -0.509 10.309 166 HA SER 33 HA SER 33 4.613 0.494 10.268 167 HB2 SER 33 HB2 SER 33 3.458 -1.631 12.085 168 HB3 SER 33 HB3 SER 33 4.814 -0.563 12.450 169 HG SER 33 HG SER 33 2.972 1.110 11.892 170 H ALA 34 H ALA 34 3.229 -2.708 9.925 171 HA ALA 34 HA ALA 34 5.752 -3.679 8.803 172 HB1 ALA 34 HB1 ALA 34 4.808 -5.935 9.201 173 HB2 ALA 34 HB2 ALA 34 3.410 -5.190 9.978 174 HB3 ALA 34 HB3 ALA 34 5.018 -5.006 10.681 175 H TRP 35 H TRP 35 5.702 -3.451 6.684 176 HA TRP 35 HA TRP 35 3.145 -3.612 5.281 177 HB2 TRP 35 HB2 TRP 35 4.419 -2.461 3.427 178 HB3 TRP 35 HB3 TRP 35 4.159 -1.509 4.881 179 HD1 TRP 35 HD TRP 35 6.936 -3.447 3.053 180 HE1 TRP 35 HE1 TRP 35 9.204 -2.504 3.762 181 HE3 TRP 35 HE3 TRP 35 5.330 -0.190 6.639 182 HZ2 TRP 35 HZ2 TRP 35 10.195 -0.592 5.617 183 HZ3 TRP 35 HZ3 TRP 35 7.003 1.165 7.838 184 HH2 TRP 35 HH TRP 35 9.385 0.965 7.335 185 H ASP 36 H ASP 36 3.242 -4.508 3.055 186 HA ASP 36 HA ASP 36 4.883 -6.948 3.028 187 HB2 ASP 36 HB2 ASP 36 2.318 -7.104 3.017 188 HB3 ASP 36 HB3 ASP 36 2.378 -6.389 1.414 189 H ILE 37 H ILE 37 5.849 -7.511 0.989 190 HA ILE 37 HA ILE 37 6.743 -5.091 -0.398 191 HB ILE 37 HB ILE 37 8.550 -6.467 -1.356 192 HG12 ILE 37 HG12 ILE 37 7.476 -8.680 0.406 193 HG13 ILE 37 HG11 ILE 37 7.291 -8.618 -1.337 194 HG21 ILE 37 HG21 ILE 37 8.312 -6.605 1.641 195 HG22 ILE 37 HG22 ILE 37 8.941 -5.251 0.689 196 HG23 ILE 37 HG23 ILE 37 9.804 -6.783 0.716 197 HD11 ILE 37 HD11 ILE 37 9.895 -8.801 0.163 198 HD12 ILE 37 HD31 ILE 37 9.092 -10.093 -0.746 199 HD13 ILE 37 HD21 ILE 37 9.714 -8.672 -1.594 200 H VAL 38 H VAL 38 4.236 -6.777 -0.932 201 HA VAL 38 HA VAL 38 4.466 -7.674 -3.612 202 HB VAL 38 HB VAL 38 1.992 -6.799 -2.082 203 HG11 VAL 38 HG11 VAL 38 2.201 -8.347 -4.652 204 HG12 VAL 38 HG12 VAL 38 1.541 -6.723 -4.448 205 HG13 VAL 38 HG13 VAL 38 0.720 -8.109 -3.725 206 HG21 VAL 38 HG21 VAL 38 1.621 -9.232 -1.801 207 HG22 VAL 38 HG22 VAL 38 3.097 -8.660 -1.018 208 HG23 VAL 38 HG23 VAL 38 3.193 -9.522 -2.549 209 H VAL 39 H VAL 39 4.290 -6.554 -5.509 210 HA VAL 39 HA VAL 39 4.321 -3.660 -5.311 211 HB VAL 39 HB VAL 39 4.768 -5.385 -7.766 212 HG11 VAL 39 HG11 VAL 39 5.509 -2.510 -7.208 213 HG12 VAL 39 HG12 VAL 39 4.272 -3.078 -8.324 214 HG13 VAL 39 HG13 VAL 39 5.971 -3.419 -8.649 215 HG21 VAL 39 HG21 VAL 39 6.372 -5.980 -6.033 216 HG22 VAL 39 HG22 VAL 39 6.809 -4.283 -5.838 217 HG23 VAL 39 HG23 VAL 39 7.174 -5.116 -7.345 218 H ASP 40 H ASP 40 2.134 -6.098 -5.959 219 HA ASP 40 HA ASP 40 0.415 -4.584 -7.781 220 HB2 ASP 40 HB2 ASP 40 -0.193 -7.147 -6.327 221 HB3 ASP 40 HB3 ASP 40 -1.125 -6.335 -7.579 222 H ASN 41 H ASN 41 1.043 -4.469 -4.590 223 HA ASN 41 HA ASN 41 -1.652 -3.489 -3.985 224 HB2 ASN 41 HB2 ASN 41 0.128 -5.258 -2.324 225 HB3 ASN 41 HB3 ASN 41 -1.004 -4.171 -1.546 226 HD21 ASN 41 HD21 ASN 41 -1.807 -5.725 -4.592 227 HD22 ASN 41 HD22 ASN 41 -2.947 -6.833 -3.924 228 H CYS 42 H CYS 42 -1.714 -1.609 -2.866 229 HA CYS 42 HA CYS 42 0.686 -0.015 -2.639 230 HB2 CYS 42 HB2 CYS 42 -1.764 0.835 -2.839 231 HB3 CYS 42 HB3 CYS 42 -1.911 0.382 -1.172 232 H ALA 43 H ALA 43 2.144 -0.522 -1.121 233 HA ALA 43 HA ALA 43 1.474 -2.351 1.020 234 HB1 ALA 43 HB1 ALA 43 3.815 -2.243 1.582 235 HB2 ALA 43 HB2 ALA 43 4.036 -0.845 0.538 236 HB3 ALA 43 HB3 ALA 43 3.642 -2.412 -0.164 237 H ILE 44 H ILE 44 1.500 0.988 0.610 238 HA ILE 44 HA ILE 44 2.341 1.819 3.175 239 HB ILE 44 HB ILE 44 0.723 3.296 1.073 240 HG12 ILE 44 HG12 ILE 44 3.713 3.057 1.557 241 HG13 ILE 44 HG11 ILE 44 2.792 2.359 0.283 242 HG21 ILE 44 HG21 ILE 44 2.356 4.346 3.394 243 HG22 ILE 44 HG22 ILE 44 0.585 4.355 3.281 244 HG23 ILE 44 HG23 ILE 44 1.537 5.304 2.155 245 HD11 ILE 44 HD11 ILE 44 3.037 5.313 0.665 246 HD12 ILE 44 HD31 ILE 44 3.994 4.335 -0.450 247 HD13 ILE 44 HD21 ILE 44 2.243 4.470 -0.676 248 H CYS 45 H CYS 45 -0.844 1.472 1.682 249 HA CYS 45 HA CYS 45 -2.100 1.685 4.327 250 HB2 CYS 45 HB2 CYS 45 -4.209 1.806 2.977 251 HB3 CYS 45 HB3 CYS 45 -3.075 3.107 2.645 252 H ARG 46 H ARG 46 -1.140 -0.447 1.908 253 HA ARG 46 HA ARG 46 -1.273 -2.532 1.424 254 HB2 ARG 46 HB2 ARG 46 -0.745 -2.866 3.783 255 HB3 ARG 46 HB3 ARG 46 -2.466 -3.092 4.145 256 HG2 ARG 46 HG2 ARG 46 -2.505 -4.994 2.589 257 HG3 ARG 46 HG3 ARG 46 -0.810 -4.737 2.238 258 HD2 ARG 46 HD2 ARG 46 -0.284 -5.141 4.575 259 HD3 ARG 46 HD3 ARG 46 -1.991 -5.515 4.890 260 HE ARG 46 HE ARG 46 -1.012 -7.011 2.719 261 HH11 ARG 46 HH11 ARG 46 -1.033 -6.989 6.263 262 HH12 ARG 46 HH12 ARG 46 -0.566 -8.622 6.414 263 HH21 ARG 46 HH21 ARG 46 -0.407 -9.223 2.918 264 HH22 ARG 46 HH22 ARG 46 -0.196 -9.955 4.440 265 H ASN 47 H ASN 47 -3.062 -1.034 0.394 266 HA ASN 47 HA ASN 47 -5.357 -2.874 0.190 267 HB2 ASN 47 HB2 ASN 47 -5.940 -0.553 0.829 268 HB3 ASN 47 HB3 ASN 47 -5.280 0.032 -0.707 269 HD21 ASN 47 HD21 ASN 47 -7.864 -1.544 0.923 270 HD22 ASN 47 HD22 ASN 47 -8.964 -1.634 -0.394 271 H HIS 48 H HIS 48 -6.107 -3.224 -1.968 272 HA HIS 48 HA HIS 48 -4.051 -4.089 -3.682 273 HB2 HIS 48 HB2 HIS 48 -6.397 -4.971 -3.630 274 HB3 HIS 48 HB3 HIS 48 -6.914 -3.536 -4.515 275 HD2 HIS 48 HD2 HIS 48 -5.361 -3.415 -7.064 276 HE1 HIS 48 HE1 HIS 48 -5.384 -7.652 -7.356 277 HE2 HIS 48 HE2 HIS 48 -5.353 -5.498 -8.650 278 H ILE 49 H ILE 49 -3.303 -3.348 -5.704 279 HA ILE 49 HA ILE 49 -2.694 -0.696 -5.838 280 HB ILE 49 HB ILE 49 -1.481 -2.573 -6.998 281 HG12 ILE 49 HG12 ILE 49 -0.780 -1.164 -8.960 282 HG13 ILE 49 HG11 ILE 49 -2.111 -0.091 -8.569 283 HG21 ILE 49 HG21 ILE 49 -3.299 -3.652 -8.137 284 HG22 ILE 49 HG22 ILE 49 -2.137 -3.087 -9.337 285 HG23 ILE 49 HG23 ILE 49 -3.637 -2.187 -9.052 286 HD11 ILE 49 HD11 ILE 49 0.066 -0.806 -6.664 287 HD12 ILE 49 HD31 ILE 49 0.098 0.636 -7.679 288 HD13 ILE 49 HD21 ILE 49 -1.173 0.462 -6.467 289 H MET 50 H MET 50 -3.364 0.999 -7.044 290 HA MET 50 HA MET 50 -4.940 2.438 -7.585 291 HB2 MET 50 HB2 MET 50 -5.638 2.264 -10.010 292 HB3 MET 50 HB3 MET 50 -3.930 2.188 -9.672 293 HG2 MET 50 HG2 MET 50 -4.015 -0.263 -9.928 294 HG3 MET 50 HG3 MET 50 -5.719 -0.132 -10.348 295 HE1 MET 50 HE1 MET 50 -5.242 -1.451 -12.615 296 HE2 MET 50 HE2 MET 50 -3.553 -1.564 -12.163 297 HE3 MET 50 HE3 MET 50 -3.998 -0.981 -13.773 298 H ASP 51 H ASP 51 -6.283 1.470 -5.862 299 HA ASP 51 HA ASP 51 -9.031 1.490 -6.887 300 HB2 ASP 51 HB2 ASP 51 -8.198 -0.928 -6.240 301 HB3 ASP 51 HB3 ASP 51 -8.285 -0.336 -4.585 302 H LEU 52 H LEU 52 -10.336 1.556 -4.471 303 HA LEU 52 HA LEU 52 -9.633 4.057 -3.311 304 HB2 LEU 52 HB2 LEU 52 -11.513 1.855 -2.502 305 HB3 LEU 52 HB3 LEU 52 -11.356 3.349 -1.602 306 HG LEU 52 HG LEU 52 -12.160 3.256 -4.507 307 HD11 LEU 52 HD11 LEU 52 -14.467 3.659 -3.631 308 HD12 LEU 52 HD12 LEU 52 -13.862 3.259 -2.010 309 HD13 LEU 52 HD13 LEU 52 -13.826 2.057 -3.282 310 HD21 LEU 52 HD21 LEU 52 -11.252 5.380 -3.785 311 HD22 LEU 52 HD22 LEU 52 -12.242 5.345 -2.346 312 HD23 LEU 52 HD23 LEU 52 -13.010 5.543 -3.918 313 H CYS 53 H CYS 53 -8.387 4.476 -1.524 314 HA CYS 53 HA CYS 53 -6.738 2.434 -0.415 315 HB2 CYS 53 HB2 CYS 53 -7.221 5.180 0.744 316 HB3 CYS 53 HB3 CYS 53 -5.806 4.175 0.935 317 H ILE 54 H ILE 54 -6.589 2.513 2.116 318 HA ILE 54 HA ILE 54 -8.576 0.901 3.134 319 HB ILE 54 HB ILE 54 -7.605 1.564 5.393 320 HG12 ILE 54 HG12 ILE 54 -5.802 3.267 3.626 321 HG13 ILE 54 HG11 ILE 54 -6.920 3.838 4.799 322 HG21 ILE 54 HG21 ILE 54 -5.838 0.677 3.166 323 HG22 ILE 54 HG22 ILE 54 -6.797 -0.351 4.284 324 HG23 ILE 54 HG23 ILE 54 -5.432 0.632 4.881 325 HD11 ILE 54 HD11 ILE 54 -4.518 2.194 5.430 326 HD12 ILE 54 HD31 ILE 54 -4.722 3.948 5.594 327 HD13 ILE 54 HD21 ILE 54 -5.717 2.866 6.577 328 H GLU 55 H GLU 55 -8.063 4.257 3.891 329 HA GLU 55 HA GLU 55 -10.590 4.434 5.325 330 HB2 GLU 55 HB2 GLU 55 -8.435 6.466 4.875 331 HB3 GLU 55 HB3 GLU 55 -9.814 6.650 5.928 332 HG2 GLU 55 HG2 GLU 55 -7.940 4.380 6.252 333 HG3 GLU 55 HG3 GLU 55 -7.621 5.812 7.165 334 H CYS 56 H CYS 56 -9.138 5.161 2.379 335 HA CYS 56 HA CYS 56 -10.772 7.329 1.587 336 HB2 CYS 56 HB2 CYS 56 -9.243 5.379 -0.102 337 HB3 CYS 56 HB3 CYS 56 -10.024 6.819 -0.712 338 H GLN 57 H GLN 57 -11.191 3.876 1.180 339 HA GLN 57 HA GLN 57 -13.495 4.112 -0.386 340 HB2 GLN 57 HB2 GLN 57 -14.087 1.807 0.498 341 HB3 GLN 57 HB3 GLN 57 -12.532 1.970 -0.326 342 HG2 GLN 57 HG2 GLN 57 -11.732 0.835 1.403 343 HG3 GLN 57 HG3 GLN 57 -11.851 2.362 2.276 344 HE21 GLN 57 HE21 GLN 57 -11.997 -0.397 3.232 345 HE22 GLN 57 HE22 GLN 57 -13.513 -0.559 4.042 346 H ALA 58 H ALA 58 -13.090 4.152 3.060 347 HA ALA 58 HA ALA 58 -15.868 4.312 3.687 348 HB1 ALA 58 HB1 ALA 58 -15.166 4.925 5.925 349 HB2 ALA 58 HB2 ALA 58 -13.531 5.244 5.349 350 HB3 ALA 58 HB3 ALA 58 -14.166 3.599 5.330 351 H ASN 59 H ASN 59 -13.280 6.808 3.522 352 HA ASN 59 HA ASN 59 -14.937 8.964 4.070 353 HB2 ASN 59 HB2 ASN 59 -12.227 8.673 2.851 354 HB3 ASN 59 HB3 ASN 59 -13.008 10.243 2.912 355 HD21 ASN 59 HD21 ASN 59 -11.441 7.771 4.675 356 HD22 ASN 59 HD22 ASN 59 -11.312 8.587 6.188 357 H GLN 60 H GLN 60 -14.030 7.377 1.100 358 HA GLN 60 HA GLN 60 -14.412 7.635 -1.042 359 HB2 GLN 60 HB2 GLN 60 -16.817 7.536 -0.363 360 HB3 GLN 60 HB3 GLN 60 -16.826 9.288 -0.266 361 HG2 GLN 60 HG2 GLN 60 -16.307 9.428 -2.652 362 HG3 GLN 60 HG3 GLN 60 -16.286 7.672 -2.750 363 HE21 GLN 60 HE21 GLN 60 -18.274 10.522 -2.519 364 HE22 GLN 60 HE22 GLN 60 -19.773 9.710 -2.779 365 H ALA 61 H ALA 61 -12.520 8.738 -1.231 366 HA ALA 61 HA ALA 61 -12.314 11.562 -0.956 367 HB1 ALA 61 HB1 ALA 61 -10.113 11.286 -2.005 368 HB2 ALA 61 HB2 ALA 61 -10.513 9.613 -2.397 369 HB3 ALA 61 HB3 ALA 61 -10.369 10.116 -0.711 370 H SER 62 H SER 62 -12.427 13.148 -2.465 371 HA SER 62 HA SER 62 -13.865 12.471 -4.856 372 HB2 SER 62 HB2 SER 62 -13.013 15.132 -3.714 373 HB3 SER 62 HB3 SER 62 -14.016 14.934 -5.156 374 HG SER 62 HG SER 62 -15.573 14.016 -3.965 375 H ALA 63 H ALA 63 -12.472 11.393 -6.108 376 HA ALA 63 HA ALA 63 -10.875 13.010 -7.814 377 HB1 ALA 63 HB1 ALA 63 -8.823 11.596 -7.583 378 HB2 ALA 63 HB2 ALA 63 -9.568 10.817 -6.183 379 HB3 ALA 63 HB3 ALA 63 -9.176 12.535 -6.132 380 H THR 64 H THR 64 -10.386 9.566 -7.283 381 HA THR 64 HA THR 64 -12.442 8.888 -9.218 382 HB THR 64 HB THR 64 -9.637 7.727 -9.290 383 HG1 THR 64 HG3 THR 64 -9.105 9.424 -10.285 384 HG21 THR 64 HG21 THR 64 -10.358 6.850 -11.462 385 HG22 THR 64 HG22 THR 64 -11.922 7.630 -11.263 386 HG23 THR 64 HG23 THR 64 -11.453 6.313 -10.187 387 H SER 65 H SER 65 -13.554 7.044 -8.489 388 HA SER 65 HA SER 65 -12.527 5.851 -6.017 389 HB2 SER 65 HB2 SER 65 -15.227 5.518 -7.326 390 HB3 SER 65 HB3 SER 65 -14.719 4.893 -5.737 391 HG SER 65 HG SER 65 -14.378 7.607 -6.231 392 H GLU 66 H GLU 66 -12.886 5.200 -9.331 393 HA GLU 66 HA GLU 66 -12.758 2.373 -9.344 394 HB2 GLU 66 HB2 GLU 66 -13.138 3.958 -11.319 395 HB3 GLU 66 HB3 GLU 66 -11.420 4.273 -11.279 396 HG2 GLU 66 HG2 GLU 66 -11.825 2.665 -12.968 397 HG3 GLU 66 HG3 GLU 66 -11.012 1.846 -11.635 398 H GLU 67 H GLU 67 -10.403 4.968 -9.126 399 HA GLU 67 HA GLU 67 -8.525 3.324 -7.759 400 HB2 GLU 67 HB2 GLU 67 -6.655 4.198 -9.194 401 HB3 GLU 67 HB3 GLU 67 -7.726 3.085 -10.031 402 HG2 GLU 67 HG2 GLU 67 -8.854 5.011 -11.109 403 HG3 GLU 67 HG3 GLU 67 -7.775 6.087 -10.264 404 H CYS 68 H CYS 68 -8.286 4.499 -5.966 405 HA CYS 68 HA CYS 68 -9.202 7.121 -5.605 406 HB2 CYS 68 HB2 CYS 68 -8.850 5.783 -3.669 407 HB3 CYS 68 HB3 CYS 68 -7.145 5.524 -4.048 408 H THR 69 H THR 69 -5.986 5.930 -6.163 409 HA THR 69 HA THR 69 -5.011 8.141 -7.634 410 HB THR 69 HB THR 69 -3.200 8.388 -5.663 411 HG1 THR 69 HG3 THR 69 -5.621 7.876 -4.390 412 HG21 THR 69 HG21 THR 69 -5.805 9.930 -5.718 413 HG22 THR 69 HG22 THR 69 -4.388 10.306 -6.690 414 HG23 THR 69 HG23 THR 69 -4.321 10.458 -4.933 415 H VAL 70 H VAL 70 -3.269 7.250 -8.764 416 HA VAL 70 HA VAL 70 -1.686 5.268 -7.344 417 HB VAL 70 HB VAL 70 -3.425 3.991 -8.598 418 HG11 VAL 70 HG11 VAL 70 -1.951 4.981 -11.020 419 HG12 VAL 70 HG12 VAL 70 -3.612 5.372 -10.542 420 HG13 VAL 70 HG13 VAL 70 -3.197 3.722 -11.001 421 HG21 VAL 70 HG21 VAL 70 -1.859 2.314 -9.492 422 HG22 VAL 70 HG22 VAL 70 -1.337 2.945 -7.930 423 HG23 VAL 70 HG23 VAL 70 -0.570 3.511 -9.410 424 H ALA 71 H ALA 71 0.411 5.096 -7.850 425 HA ALA 71 HA ALA 71 1.421 6.614 -10.122 426 HB1 ALA 71 HB1 ALA 71 2.412 6.859 -7.282 427 HB2 ALA 71 HB2 ALA 71 1.555 8.110 -8.184 428 HB3 ALA 71 HB3 ALA 71 3.162 7.594 -8.700 429 H TRP 72 H TRP 72 3.047 5.672 -11.110 430 HA TRP 72 HA TRP 72 3.979 3.150 -10.004 431 HB2 TRP 72 HB2 TRP 72 4.662 4.316 -12.669 432 HB3 TRP 72 HB3 TRP 72 4.779 2.668 -12.157 433 HD1 TRP 72 HD TRP 72 2.894 4.377 -14.565 434 HE1 TRP 72 HE1 TRP 72 0.526 3.428 -14.946 435 HE3 TRP 72 HE3 TRP 72 2.432 1.685 -10.308 436 HZ2 TRP 72 HZ2 TRP 72 -1.288 1.760 -13.623 437 HZ3 TRP 72 HZ3 TRP 72 0.311 0.406 -9.925 438 HH2 TRP 72 HH TRP 72 -1.484 0.462 -11.558 439 H GLY 73 H GLY 73 6.145 2.889 -9.596 440 HA2 GLY 73 HA2 GLY 73 7.700 5.360 -9.393 441 HA3 GLY 73 HA3 GLY 73 7.967 3.838 -8.536 442 H VAL 74 H VAL 74 9.548 5.644 -10.512 443 HA VAL 74 HA VAL 74 10.101 4.083 -12.829 444 HB VAL 74 HB VAL 74 12.046 5.915 -11.411 445 HG11 VAL 74 HG11 VAL 74 11.828 5.161 -14.321 446 HG12 VAL 74 HG12 VAL 74 13.037 4.565 -13.181 447 HG13 VAL 74 HG13 VAL 74 13.018 6.268 -13.632 448 HG21 VAL 74 HG21 VAL 74 9.978 7.137 -11.747 449 HG22 VAL 74 HG22 VAL 74 9.941 6.632 -13.434 450 HG23 VAL 74 HG23 VAL 74 11.207 7.727 -12.874 451 H CYS 75 H CYS 75 10.985 3.901 -9.549 452 HA CYS 75 HA CYS 75 13.364 2.342 -9.796 453 HB2 CYS 75 HB2 CYS 75 13.045 2.197 -7.333 454 HB3 CYS 75 HB3 CYS 75 13.105 3.829 -7.968 455 H ASN 76 H ASN 76 10.439 1.572 -10.710 456 HA ASN 76 HA ASN 76 9.378 -0.295 -11.231 457 HB2 ASN 76 HB2 ASN 76 11.637 -1.233 -11.572 458 HB3 ASN 76 HB3 ASN 76 11.650 -1.766 -9.900 459 HD21 ASN 76 HD21 ASN 76 10.539 -3.585 -9.369 460 HD22 ASN 76 HD22 ASN 76 9.757 -4.646 -10.470 461 H HIS 77 H HIS 77 8.338 0.990 -9.394 462 HA HIS 77 HA HIS 77 7.290 -1.047 -7.609 463 HB2 HIS 77 HB2 HIS 77 8.442 1.554 -6.770 464 HB3 HIS 77 HB3 HIS 77 7.027 0.958 -5.893 465 HD2 HIS 77 HD2 HIS 77 8.060 -2.232 -5.841 466 HE1 HIS 77 HE1 HIS 77 11.221 -0.617 -3.549 467 HE2 HIS 77 HE2 HIS 77 10.206 -2.681 -4.513 468 H ALA 78 H ALA 78 5.109 -0.399 -6.645 469 HA ALA 78 HA ALA 78 3.753 1.637 -8.194 470 HB1 ALA 78 HB1 ALA 78 1.929 0.092 -8.713 471 HB2 ALA 78 HB2 ALA 78 2.816 -1.229 -7.966 472 HB3 ALA 78 HB3 ALA 78 3.442 -0.460 -9.430 473 H PHE 79 H PHE 79 2.641 2.862 -6.800 474 HA PHE 79 HA PHE 79 1.372 1.614 -4.463 475 HB2 PHE 79 HB2 PHE 79 3.080 4.100 -4.368 476 HB3 PHE 79 HB3 PHE 79 2.095 3.518 -3.034 477 HD1 PHE 79 HD2 PHE 79 2.789 1.354 -1.886 478 HD2 PHE 79 HD3 PHE 79 5.192 3.254 -4.839 479 HE1 PHE 79 HE2 PHE 79 4.786 0.020 -1.166 480 HE2 PHE 79 HE1 PHE 79 7.135 1.935 -4.118 481 HZ PHE 79 HZ PHE 79 6.918 0.336 -2.291 482 H HIS 80 H HIS 80 -0.128 3.327 -3.388 483 HA HIS 80 HA HIS 80 -1.710 4.589 -5.424 484 HB2 HIS 80 HB2 HIS 80 -1.730 4.531 -2.431 485 HB3 HIS 80 HB3 HIS 80 -2.706 5.689 -3.288 486 HD2 HIS 80 HD2 HIS 80 -4.030 3.648 -5.528 487 HE1 HIS 80 HE1 HIS 80 -5.482 1.594 -2.157 488 HE2 HIS 80 HE2 HIS 80 -6.000 2.554 -4.278 489 H PHE 81 H PHE 81 -1.592 6.669 -6.058 490 HA PHE 81 HA PHE 81 0.694 8.166 -5.508 491 HB2 PHE 81 HB2 PHE 81 -0.465 8.596 -7.537 492 HB3 PHE 81 HB3 PHE 81 -1.954 9.040 -6.768 493 HD1 PHE 81 HD3 PHE 81 1.563 10.044 -7.293 494 HD2 PHE 81 HD2 PHE 81 -2.342 11.283 -6.146 495 HE1 PHE 81 HE1 PHE 81 2.286 12.390 -7.387 496 HE2 PHE 81 HE2 PHE 81 -1.627 13.632 -6.229 497 HZ PHE 81 HZ PHE 81 0.690 14.191 -6.855 498 H HIS 82 H HIS 82 -2.469 8.253 -4.049 499 HA HIS 82 HA HIS 82 -2.122 10.500 -2.385 500 HB2 HIS 82 HB2 HIS 82 -4.281 9.428 -2.792 501 HB3 HIS 82 HB3 HIS 82 -3.730 7.980 -1.982 502 HD2 HIS 82 HD2 HIS 82 -2.915 11.153 -0.046 503 HE1 HIS 82 HE1 HIS 82 -6.458 9.522 1.634 504 HE2 HIS 82 HE2 HIS 82 -4.664 11.289 1.870 505 H CYS 83 H CYS 83 -1.535 6.993 -1.734 506 HA CYS 83 HA CYS 83 -0.744 7.418 0.901 507 HB2 CYS 83 HB2 CYS 83 -0.145 5.013 -0.861 508 HB3 CYS 83 HB3 CYS 83 -0.136 5.152 0.875 509 H ILE 84 H ILE 84 1.014 6.911 -2.144 510 HA ILE 84 HA ILE 84 3.529 6.877 -0.895 511 HB ILE 84 HB ILE 84 3.141 5.976 -3.232 512 HG12 ILE 84 HG12 ILE 84 5.327 6.831 -4.145 513 HG13 ILE 84 HG11 ILE 84 5.358 7.959 -2.809 514 HG21 ILE 84 HG21 ILE 84 3.217 7.484 -5.121 515 HG22 ILE 84 HG22 ILE 84 3.273 8.866 -4.017 516 HG23 ILE 84 HG23 ILE 84 1.842 7.813 -4.053 517 HD11 ILE 84 HD11 ILE 84 5.479 6.173 -1.198 518 HD12 ILE 84 HD31 ILE 84 5.264 4.977 -2.471 519 HD13 ILE 84 HD21 ILE 84 6.741 5.939 -2.410 520 H SER 85 H SER 85 1.608 9.509 -2.216 521 HA SER 85 HA SER 85 3.575 11.507 -1.985 522 HB2 SER 85 HB2 SER 85 0.566 11.782 -1.758 523 HB3 SER 85 HB3 SER 85 1.691 13.135 -1.892 524 HG SER 85 HG SER 85 1.086 11.121 -3.748 525 H ARG 86 H ARG 86 1.195 10.325 0.359 526 HA ARG 86 HA ARG 86 1.861 12.067 2.490 527 HB2 ARG 86 HB2 ARG 86 0.773 9.256 2.450 528 HB3 ARG 86 HB3 ARG 86 0.949 10.193 3.917 529 HG2 ARG 86 HG2 ARG 86 -0.767 10.947 1.555 530 HG3 ARG 86 HG3 ARG 86 -1.332 10.206 3.057 531 HD2 ARG 86 HD2 ARG 86 -0.053 12.921 2.733 532 HD3 ARG 86 HD3 ARG 86 -1.721 12.568 3.196 533 HE ARG 86 HE ARG 86 -0.240 11.279 5.066 534 HH11 ARG 86 HH11 ARG 86 -0.537 14.648 4.030 535 HH12 ARG 86 HH12 ARG 86 0.130 15.288 5.449 536 HH21 ARG 86 HH21 ARG 86 0.603 12.083 6.952 537 HH22 ARG 86 HH22 ARG 86 0.823 13.749 7.248 538 H TRP 87 H TRP 87 3.047 8.936 1.496 539 HA TRP 87 HA TRP 87 4.872 8.419 3.576 540 HB2 TRP 87 HB2 TRP 87 4.203 6.696 2.034 541 HB3 TRP 87 HB3 TRP 87 4.799 7.608 0.667 542 HD1 TRP 87 HD TRP 87 7.226 7.161 -0.065 543 HE1 TRP 87 HE1 TRP 87 9.159 5.814 0.918 544 HE3 TRP 87 HE3 TRP 87 5.163 5.961 4.435 545 HZ2 TRP 87 HZ2 TRP 87 9.753 4.400 3.309 546 HZ3 TRP 87 HZ3 TRP 87 6.476 4.600 6.034 547 HH2 TRP 87 HH TRP 87 8.728 3.837 5.473 548 H LEU 88 H LEU 88 5.246 9.965 0.475 549 HA LEU 88 HA LEU 88 7.993 10.530 0.735 550 HB2 LEU 88 HB2 LEU 88 5.881 11.610 -1.090 551 HB3 LEU 88 HB3 LEU 88 7.583 11.983 -1.268 552 HG LEU 88 HG LEU 88 6.479 9.190 -1.327 553 HD11 LEU 88 HD11 LEU 88 5.589 10.460 -3.143 554 HD12 LEU 88 HD12 LEU 88 6.783 9.286 -3.691 555 HD13 LEU 88 HD13 LEU 88 7.215 11.006 -3.609 556 HD21 LEU 88 HD21 LEU 88 9.184 10.273 -2.156 557 HD22 LEU 88 HD22 LEU 88 8.670 8.595 -2.232 558 HD23 LEU 88 HD23 LEU 88 8.866 9.379 -0.677 559 H LYS 89 H LYS 89 5.207 12.199 1.850 560 HA LYS 89 HA LYS 89 6.296 14.769 2.230 561 HB2 LYS 89 HB2 LYS 89 4.374 13.267 4.014 562 HB3 LYS 89 HB3 LYS 89 4.713 14.984 4.105 563 HG2 LYS 89 HG2 LYS 89 3.425 13.558 1.776 564 HG3 LYS 89 HG3 LYS 89 2.602 14.480 3.032 565 HD2 LYS 89 HD2 LYS 89 3.751 16.513 2.289 566 HD3 LYS 89 HD3 LYS 89 4.593 15.579 1.053 567 HE2 LYS 89 HE2 LYS 89 2.485 14.989 -0.002 568 HE3 LYS 89 HE1 LYS 89 1.591 15.853 1.248 569 HZ1 LYS 89 HZ1 LYS 89 2.595 17.928 0.455 570 HZ2 LYS 89 HZ2 LYS 89 1.794 17.116 -0.808 571 HZ3 LYS 89 HZ3 LYS 89 3.454 17.077 -0.734 572 H THR 90 H THR 90 6.390 11.749 4.018 573 HA THR 90 HA THR 90 8.103 12.922 6.079 574 HB THR 90 HB THR 90 7.679 10.838 7.340 575 HG1 THR 90 HG3 THR 90 6.924 9.933 4.886 576 HG21 THR 90 HG21 THR 90 6.109 12.751 7.524 577 HG22 THR 90 HG22 THR 90 5.287 11.197 7.697 578 HG23 THR 90 HG23 THR 90 5.197 12.077 6.168 579 H ARG 91 H ARG 91 8.504 10.935 3.218 580 HA ARG 91 HA ARG 91 11.156 10.073 4.094 581 HB2 ARG 91 HB2 ARG 91 9.058 8.276 2.850 582 HB3 ARG 91 HB3 ARG 91 10.729 7.871 3.120 583 HG2 ARG 91 HG2 ARG 91 8.804 8.550 5.331 584 HG3 ARG 91 HG3 ARG 91 9.129 6.920 4.762 585 HD2 ARG 91 HD2 ARG 91 11.515 7.207 5.307 586 HD3 ARG 91 HD3 ARG 91 11.177 8.811 5.939 587 HE ARG 91 HE ARG 91 9.475 7.085 7.259 588 HH11 ARG 91 HH11 ARG 91 12.992 7.488 6.998 589 HH12 ARG 91 HH12 ARG 91 13.315 6.811 8.521 590 HH21 ARG 91 HH21 ARG 91 9.906 6.217 9.319 591 HH22 ARG 91 HH22 ARG 91 11.490 6.065 9.914 592 H GLN 92 H GLN 92 12.585 9.778 2.362 593 HA GLN 92 HA GLN 92 11.575 10.762 -0.219 594 HB2 GLN 92 HB2 GLN 92 14.235 10.883 1.107 595 HB3 GLN 92 HB3 GLN 92 14.139 10.938 -0.647 596 HG2 GLN 92 HG2 GLN 92 14.209 13.234 0.094 597 HG3 GLN 92 HG3 GLN 92 12.544 12.856 -0.358 598 HE21 GLN 92 HE21 GLN 92 10.957 12.964 1.099 599 HE22 GLN 92 HE22 GLN 92 11.165 13.508 2.722 600 H VAL 93 H VAL 93 12.072 7.948 1.227 601 HA VAL 93 HA VAL 93 13.141 6.618 -1.170 602 HB VAL 93 HB VAL 93 14.160 4.922 0.414 603 HG11 VAL 93 HG11 VAL 93 15.167 7.772 0.556 604 HG12 VAL 93 HG12 VAL 93 15.512 6.581 -0.715 605 HG13 VAL 93 HG13 VAL 93 16.111 6.322 0.914 606 HG21 VAL 93 HG21 VAL 93 12.817 5.562 2.384 607 HG22 VAL 93 HG22 VAL 93 13.652 7.113 2.409 608 HG23 VAL 93 HG23 VAL 93 14.556 5.624 2.714 609 H CYS 94 H CYS 94 12.458 4.515 -1.551 610 HA CYS 94 HA CYS 94 9.811 3.873 -1.181 611 HB2 CYS 94 HB2 CYS 94 12.115 2.012 -1.666 612 HB3 CYS 94 HB3 CYS 94 10.431 1.670 -2.035 613 HA PRO 95 HA PRO 95 9.982 2.173 3.016 614 HB2 PRO 95 HB2 PRO 95 7.650 0.731 2.859 615 HB3 PRO 95 HB3 PRO 95 7.696 2.472 3.191 616 HG2 PRO 95 HG2 PRO 95 7.106 1.049 0.610 617 HG3 PRO 95 HG3 PRO 95 6.382 2.508 1.293 618 HD2 PRO 95 HD2 PRO 95 8.245 2.571 -0.666 619 HD3 PRO 95 HD3 PRO 95 8.106 3.868 0.514 620 H LEU 96 H LEU 96 9.427 0.373 0.167 621 HA LEU 96 HA LEU 96 9.686 -2.234 1.339 622 HB2 LEU 96 HB2 LEU 96 9.802 -1.513 -1.589 623 HB3 LEU 96 HB3 LEU 96 9.528 -3.105 -0.915 624 HG LEU 96 HG LEU 96 7.702 -0.751 -0.792 625 HD11 LEU 96 HD11 LEU 96 6.206 -2.169 -2.148 626 HD12 LEU 96 HD12 LEU 96 7.486 -3.386 -2.229 627 HD13 LEU 96 HD13 LEU 96 7.730 -1.800 -2.957 628 HD21 LEU 96 HD21 LEU 96 7.441 -1.930 1.262 629 HD22 LEU 96 HD22 LEU 96 7.463 -3.476 0.454 630 HD23 LEU 96 HD23 LEU 96 6.081 -2.391 0.241 631 H ASP 97 H ASP 97 11.722 -0.012 -0.372 632 HA ASP 97 HA ASP 97 13.839 -2.069 -0.341 633 HB2 ASP 97 HB2 ASP 97 13.050 -0.205 -2.504 634 HB3 ASP 97 HB3 ASP 97 14.702 -0.789 -2.396 635 H ASN 98 H ASN 98 13.094 1.142 0.526 636 HA ASN 98 HA ASN 98 14.300 2.917 1.308 637 HB2 ASN 98 HB2 ASN 98 15.224 1.039 2.759 638 HB3 ASN 98 HB3 ASN 98 16.629 1.011 1.704 639 HD21 ASN 98 HD21 ASN 98 18.131 1.716 3.283 640 HD22 ASN 98 HD22 ASN 98 18.079 3.309 3.926 641 H ARG 99 H ARG 99 14.191 2.305 -1.367 642 HA ARG 99 HA ARG 99 16.638 3.003 -2.746 643 HB2 ARG 99 HB2 ARG 99 15.029 1.097 -3.357 644 HB3 ARG 99 HB3 ARG 99 13.846 2.407 -3.374 645 HG2 ARG 99 HG2 ARG 99 14.234 1.796 -5.483 646 HG3 ARG 99 HG3 ARG 99 14.946 3.405 -5.176 647 HD2 ARG 99 HD2 ARG 99 17.128 2.625 -5.507 648 HD3 ARG 99 HD3 ARG 99 16.711 0.989 -4.982 649 HE ARG 99 HE ARG 99 15.907 0.486 -7.106 650 HH11 ARG 99 HH11 ARG 99 17.266 3.766 -7.068 651 HH12 ARG 99 HH12 ARG 99 17.332 3.871 -8.774 652 HH21 ARG 99 HH21 ARG 99 15.992 0.679 -9.401 653 HH22 ARG 99 HH22 ARG 99 16.577 2.110 -10.124 654 H GLU 100 H GLU 100 16.372 5.018 -4.019 655 HA GLU 100 HA GLU 100 14.654 6.873 -2.622 656 HB2 GLU 100 HB2 GLU 100 16.896 7.624 -3.467 657 HB3 GLU 100 HB3 GLU 100 16.293 7.458 -5.104 658 HG2 GLU 100 HG2 GLU 100 14.577 9.135 -4.655 659 HG3 GLU 100 HG3 GLU 100 15.170 9.293 -3.007 660 H TRP 101 H TRP 101 12.619 7.445 -3.171 661 HA TRP 101 HA TRP 101 11.454 5.964 -5.284 662 HB2 TRP 101 HB2 TRP 101 10.072 6.167 -3.379 663 HB3 TRP 101 HB3 TRP 101 10.329 7.879 -3.219 664 HD1 TRP 101 HD TRP 101 8.913 9.465 -4.854 665 HE1 TRP 101 HE1 TRP 101 6.807 9.057 -6.268 666 HE3 TRP 101 HE3 TRP 101 8.882 4.444 -4.673 667 HZ2 TRP 101 HZ2 TRP 101 5.328 6.878 -7.185 668 HZ3 TRP 101 HZ3 TRP 101 7.061 3.201 -5.863 669 HH2 TRP 101 HH TRP 101 5.315 4.432 -7.086 670 H GLU 102 H GLU 102 10.841 6.617 -7.260 671 HA GLU 102 HA GLU 102 10.926 9.469 -7.932 672 HB2 GLU 102 HB2 GLU 102 12.050 7.186 -9.578 673 HB3 GLU 102 HB3 GLU 102 11.785 8.810 -10.187 674 HG2 GLU 102 HG2 GLU 102 13.377 9.674 -8.544 675 HG3 GLU 102 HG3 GLU 102 13.637 8.035 -7.955 676 H PHE 103 H PHE 103 9.353 10.097 -9.404 677 HA PHE 103 HA PHE 103 7.070 8.289 -9.577 678 HB2 PHE 103 HB2 PHE 103 7.390 11.201 -10.318 679 HB3 PHE 103 HB3 PHE 103 5.930 10.309 -10.610 680 HD1 PHE 103 HD2 PHE 103 4.642 9.445 -8.705 681 HD2 PHE 103 HD3 PHE 103 7.909 12.074 -8.240 682 HE1 PHE 103 HE2 PHE 103 3.816 10.038 -6.448 683 HE2 PHE 103 HE1 PHE 103 7.113 12.697 -5.978 684 HZ PHE 103 HZ PHE 103 5.059 11.671 -5.090 685 H GLN 104 H GLN 104 6.832 7.022 -11.288 686 HA GLN 104 HA GLN 104 8.124 7.605 -13.816 687 HB2 GLN 104 HB2 GLN 104 7.922 5.274 -12.898 688 HB3 GLN 104 HB3 GLN 104 6.193 5.440 -13.013 689 HG2 GLN 104 HG2 GLN 104 6.978 4.131 -14.864 690 HG3 GLN 104 HG3 GLN 104 6.352 5.670 -15.440 691 HE21 GLN 104 HE21 GLN 104 7.695 7.043 -16.517 692 HE22 GLN 104 HE22 GLN 104 9.341 6.666 -16.867 693 H LYS 105 H LYS 105 4.806 6.718 -12.970 694 HA LYS 105 HA LYS 105 3.780 9.033 -14.377 695 HB2 LYS 105 HB2 LYS 105 2.910 6.176 -14.806 696 HB3 LYS 105 HB3 LYS 105 1.976 7.566 -15.324 697 HG2 LYS 105 HG2 LYS 105 3.790 8.242 -16.805 698 HG3 LYS 105 HG3 LYS 105 4.745 6.854 -16.281 699 HD2 LYS 105 HD2 LYS 105 3.045 5.346 -17.158 700 HD3 LYS 105 HD3 LYS 105 2.064 6.732 -17.660 701 HE2 LYS 105 HE2 LYS 105 3.852 7.453 -19.144 702 HE3 LYS 105 HE1 LYS 105 4.840 6.083 -18.642 703 HZ1 LYS 105 HZ1 LYS 105 3.383 4.581 -19.689 704 HZ2 LYS 105 HZ2 LYS 105 3.556 5.878 -20.791 705 HZ3 LYS 105 HZ3 LYS 105 2.163 5.749 -19.841 706 H TYR 106 H TYR 106 1.720 9.646 -13.550 707 HA TYR 106 HA TYR 106 0.742 8.193 -11.246 708 HB2 TYR 106 HB2 TYR 106 0.766 10.253 -9.833 709 HB3 TYR 106 HB3 TYR 106 2.365 9.626 -10.196 710 HD1 TYR 106 HD2 TYR 106 0.013 12.374 -10.812 711 HD2 TYR 106 HD3 TYR 106 3.899 10.841 -11.614 712 HE1 TYR 106 HE2 TYR 106 0.681 14.566 -11.713 713 HE2 TYR 106 HE1 TYR 106 4.574 13.021 -12.509 714 HH TYR 106 HH TYR 106 3.675 14.937 -13.408 715 H GLY 107 H GLY 107 -1.324 8.937 -10.507 716 HA2 GLY 107 HA2 GLY 107 -2.717 10.932 -12.028 717 HA3 GLY 107 HA3 GLY 107 -3.245 9.276 -12.330 718 H HIS 108 H HIS 108 -4.946 11.140 -11.275 719 HA HIS 108 HA HIS 108 -5.462 9.948 -8.662 720 HB2 HIS 108 HB2 HIS 108 -6.321 12.208 -7.896 721 HB3 HIS 108 HB3 HIS 108 -4.573 12.118 -8.117 722 HD2 HIS 108 HD2 HIS 108 -7.452 14.351 -9.154 723 HE1 HIS 108 HE1 HIS 108 -4.321 15.037 -11.943 724 HE2 HIS 108 HE2 HIS 108 -6.696 15.533 -11.347 Start of MODEL 14 1 H1 GLY 9 H GLY 9 -3.739 -1.495 -14.964 2 HA2 GLY 9 HA2 GLY 9 -4.558 -1.053 -17.229 3 HA3 GLY 9 HA3 GLY 9 -6.166 -1.483 -16.653 4 H GLY 10 H GLY 10 -7.402 0.004 -15.615 5 HA2 GLY 10 HA2 GLY 10 -7.797 1.959 -14.383 6 HA3 GLY 10 HA3 GLY 10 -6.188 2.518 -14.800 7 H GLY 11 H GLY 11 -8.832 3.770 -14.971 8 HA2 GLY 11 HA2 GLY 11 -9.124 4.236 -17.839 9 HA3 GLY 11 HA3 GLY 11 -10.092 4.947 -16.548 10 H GLY 12 H GLY 12 -7.885 5.771 -14.954 11 HA2 GLY 12 HA2 GLY 12 -5.997 7.274 -15.177 12 HA3 GLY 12 HA3 GLY 12 -6.764 7.919 -16.635 13 H THR 13 H THR 13 -6.124 8.723 -13.580 14 HA THR 13 HA THR 13 -8.771 9.896 -13.114 15 HB THR 13 HB THR 13 -6.589 9.550 -11.040 16 HG1 THR 13 HG3 THR 13 -8.428 7.807 -10.507 17 HG21 THR 13 HG21 THR 13 -9.579 9.951 -10.790 18 HG22 THR 13 HG22 THR 13 -8.370 11.209 -10.552 19 HG23 THR 13 HG23 THR 13 -8.433 9.822 -9.453 20 H ASN 14 H ASN 14 -8.383 11.624 -14.509 21 HA ASN 14 HA ASN 14 -6.504 13.642 -13.457 22 HB2 ASN 14 HB2 ASN 14 -7.774 13.353 -16.185 23 HB3 ASN 14 HB3 ASN 14 -7.046 14.861 -15.656 24 HD21 ASN 14 HD21 ASN 14 -5.703 11.791 -14.701 25 HD22 ASN 14 HD22 ASN 14 -4.289 11.847 -15.677 26 H SER 15 H SER 15 -9.772 12.748 -13.814 27 HA SER 15 HA SER 15 -10.610 15.401 -12.947 28 HB2 SER 15 HB2 SER 15 -11.627 14.581 -15.066 29 HB3 SER 15 HB3 SER 15 -12.250 13.179 -14.200 30 HG SER 15 HG SER 15 -13.872 14.340 -13.802 31 H GLY 16 H GLY 16 -10.124 15.121 -10.799 32 HA2 GLY 16 HA2 GLY 16 -11.775 13.120 -9.393 33 HA3 GLY 16 HA3 GLY 16 -10.236 13.729 -8.784 34 H ALA 17 H ALA 17 -10.153 16.190 -8.561 35 HA ALA 17 HA ALA 17 -12.694 17.400 -7.958 36 HB1 ALA 17 HB1 ALA 17 -12.118 17.900 -5.649 37 HB2 ALA 17 HB2 ALA 17 -10.613 16.997 -5.813 38 HB3 ALA 17 HB3 ALA 17 -12.157 16.153 -5.903 39 H GLY 18 H GLY 18 -12.610 19.610 -7.971 40 HA2 GLY 18 HA2 GLY 18 -10.083 20.836 -8.796 41 HA3 GLY 18 HA3 GLY 18 -11.675 21.590 -8.842 42 H LYS 19 H LYS 19 -11.282 19.904 -6.098 43 HA LYS 19 HA LYS 19 -11.331 22.186 -4.369 44 HB2 LYS 19 HB2 LYS 19 -11.190 19.226 -3.790 45 HB3 LYS 19 HB3 LYS 19 -11.462 20.480 -2.592 46 HG2 LYS 19 HG2 LYS 19 -13.290 19.897 -4.915 47 HG3 LYS 19 HG3 LYS 19 -13.511 19.289 -3.277 48 HD2 LYS 19 HD2 LYS 19 -13.652 21.612 -2.458 49 HD3 LYS 19 HD3 LYS 19 -13.480 22.192 -4.112 50 HE2 LYS 19 HE2 LYS 19 -15.519 21.066 -4.758 51 HE3 LYS 19 HE1 LYS 19 -15.695 20.388 -3.149 52 HZ1 LYS 19 HZ1 LYS 19 -17.093 22.214 -3.273 53 HZ2 LYS 19 HZ2 LYS 19 -15.928 23.230 -3.952 54 HZ3 LYS 19 HZ3 LYS 19 -15.790 22.744 -2.324 55 H LYS 20 H LYS 20 -9.959 21.859 -2.284 56 HA LYS 20 HA LYS 20 -7.147 21.747 -3.042 57 HB2 LYS 20 HB2 LYS 20 -8.567 22.689 -0.529 58 HB3 LYS 20 HB3 LYS 20 -6.819 22.721 -0.761 59 HG2 LYS 20 HG2 LYS 20 -7.070 24.237 -2.642 60 HG3 LYS 20 HG3 LYS 20 -8.821 24.200 -2.458 61 HD2 LYS 20 HD2 LYS 20 -8.590 25.191 -0.211 62 HD3 LYS 20 HD3 LYS 20 -6.841 25.241 -0.427 63 HE2 LYS 20 HE2 LYS 20 -7.094 26.723 -2.349 64 HE3 LYS 20 HE1 LYS 20 -8.846 26.632 -2.192 65 HZ1 LYS 20 HZ1 LYS 20 -7.010 27.802 -0.151 66 HZ2 LYS 20 HZ2 LYS 20 -8.715 27.795 -0.087 67 HZ3 LYS 20 HZ3 LYS 20 -7.918 28.652 -1.289 68 H ARG 21 H ARG 21 -6.103 20.950 -0.502 69 HA ARG 21 HA ARG 21 -6.307 18.134 -0.831 70 HB2 ARG 21 HB2 ARG 21 -4.980 19.851 1.238 71 HB3 ARG 21 HB3 ARG 21 -5.114 18.126 1.491 72 HG2 ARG 21 HG2 ARG 21 -2.987 18.486 0.590 73 HG3 ARG 21 HG3 ARG 21 -3.954 17.846 -0.739 74 HD2 ARG 21 HD2 ARG 21 -4.282 20.121 -1.572 75 HD3 ARG 21 HD3 ARG 21 -3.309 20.742 -0.237 76 HE ARG 21 HE ARG 21 -1.825 18.818 -1.513 77 HH11 ARG 21 HH11 ARG 21 -3.161 22.019 -2.251 78 HH12 ARG 21 HH12 ARG 21 -1.968 22.415 -3.403 79 HH21 ARG 21 HH21 ARG 21 -0.159 19.370 -3.083 80 HH22 ARG 21 HH22 ARG 21 -0.210 20.851 -3.887 81 H PHE 22 H PHE 22 -7.819 16.850 -0.197 82 HA PHE 22 HA PHE 22 -9.748 17.413 1.824 83 HB2 PHE 22 HB2 PHE 22 -8.803 14.812 0.585 84 HB3 PHE 22 HB3 PHE 22 -10.162 14.923 1.706 85 HD1 PHE 22 HD2 PHE 22 -12.182 16.232 1.008 86 HD2 PHE 22 HD3 PHE 22 -9.029 15.285 -1.699 87 HE1 PHE 22 HE2 PHE 22 -13.670 16.705 -0.892 88 HE2 PHE 22 HE1 PHE 22 -10.528 15.761 -3.603 89 HZ PHE 22 HZ PHE 22 -12.837 16.471 -3.194 90 H GLU 23 H GLU 23 -6.739 15.694 1.607 91 HA GLU 23 HA GLU 23 -5.038 15.386 2.975 92 HB2 GLU 23 HB2 GLU 23 -5.311 17.677 3.685 93 HB3 GLU 23 HB3 GLU 23 -6.491 17.192 4.895 94 HG2 GLU 23 HG2 GLU 23 -4.789 16.001 6.127 95 HG3 GLU 23 HG3 GLU 23 -3.608 16.328 4.865 96 H VAL 24 H VAL 24 -7.994 15.089 4.868 97 HA VAL 24 HA VAL 24 -8.482 13.806 6.649 98 HB VAL 24 HB VAL 24 -9.295 12.403 4.833 99 HG11 VAL 24 HG11 VAL 24 -8.061 10.493 3.950 100 HG12 VAL 24 HG12 VAL 24 -6.634 11.004 4.851 101 HG13 VAL 24 HG13 VAL 24 -7.275 12.025 3.566 102 HG21 VAL 24 HG21 VAL 24 -8.064 10.743 7.020 103 HG22 VAL 24 HG22 VAL 24 -9.389 10.236 5.962 104 HG23 VAL 24 HG23 VAL 24 -9.620 11.575 7.088 105 H LYS 25 H LYS 25 -7.311 14.238 8.334 106 HA LYS 25 HA LYS 25 -4.602 13.315 8.479 107 HB2 LYS 25 HB2 LYS 25 -6.274 14.793 10.510 108 HB3 LYS 25 HB3 LYS 25 -4.570 14.411 10.699 109 HG2 LYS 25 HG2 LYS 25 -4.032 15.773 8.745 110 HG3 LYS 25 HG3 LYS 25 -5.750 16.137 8.529 111 HD2 LYS 25 HD2 LYS 25 -4.808 18.011 9.642 112 HD3 LYS 25 HD3 LYS 25 -5.684 17.101 10.874 113 HE2 LYS 25 HE2 LYS 25 -3.590 16.074 11.615 114 HE3 LYS 25 HE1 LYS 25 -2.724 16.935 10.345 115 HZ1 LYS 25 HZ1 LYS 25 -4.137 18.154 12.652 116 HZ2 LYS 25 HZ2 LYS 25 -3.412 19.038 11.415 117 HZ3 LYS 25 HZ3 LYS 25 -2.463 18.073 12.429 118 H LYS 26 H LYS 26 -4.432 11.243 8.652 119 HA LYS 26 HA LYS 26 -5.192 10.094 11.220 120 HB2 LYS 26 HB2 LYS 26 -5.267 8.650 8.554 121 HB3 LYS 26 HB3 LYS 26 -5.367 7.844 10.111 122 HG2 LYS 26 HG2 LYS 26 -7.350 9.849 9.038 123 HG3 LYS 26 HG3 LYS 26 -7.571 8.100 9.079 124 HD2 LYS 26 HD2 LYS 26 -7.391 8.129 11.525 125 HD3 LYS 26 HD3 LYS 26 -7.168 9.875 11.489 126 HE2 LYS 26 HE2 LYS 26 -9.431 9.487 12.039 127 HE3 LYS 26 HE1 LYS 26 -9.409 10.032 10.364 128 HZ1 LYS 26 HZ1 LYS 26 -9.647 7.206 11.266 129 HZ2 LYS 26 HZ2 LYS 26 -9.687 7.684 9.655 130 HZ3 LYS 26 HZ3 LYS 26 -10.900 8.181 10.714 131 H SER 27 H SER 27 -3.679 8.631 12.065 132 HA SER 27 HA SER 27 -1.028 9.487 11.464 133 HB2 SER 27 HB2 SER 27 -1.947 7.341 13.384 134 HB3 SER 27 HB3 SER 27 -0.369 8.149 13.363 135 HG SER 27 HG SER 27 -2.913 9.283 13.879 136 H ASN 28 H ASN 28 -0.740 8.769 9.327 137 HA ASN 28 HA ASN 28 0.293 6.042 9.275 138 HB2 ASN 28 HB2 ASN 28 -1.763 5.901 7.985 139 HB3 ASN 28 HB3 ASN 28 -1.322 7.327 7.054 140 HD21 ASN 28 HD21 ASN 28 -0.596 3.938 7.627 141 HD22 ASN 28 HD22 ASN 28 0.256 3.693 6.141 142 H ALA 29 H ALA 29 2.360 6.496 9.422 143 HA ALA 29 HA ALA 29 3.530 7.996 7.186 144 HB1 ALA 29 HB1 ALA 29 3.655 9.369 9.243 145 HB2 ALA 29 HB2 ALA 29 5.249 8.877 8.671 146 HB3 ALA 29 HB3 ALA 29 4.517 8.054 10.048 147 H SER 30 H SER 30 2.924 5.175 8.018 148 HA SER 30 HA SER 30 5.603 4.068 7.755 149 HB2 SER 30 HB2 SER 30 5.019 3.903 10.110 150 HB3 SER 30 HB3 SER 30 3.446 3.216 9.700 151 HG SER 30 HG SER 30 4.399 1.408 9.019 152 H ALA 31 H ALA 31 5.687 2.220 6.548 153 HA ALA 31 HA ALA 31 3.170 1.166 5.481 154 HB1 ALA 31 HB1 ALA 31 4.224 0.946 3.276 155 HB2 ALA 31 HB2 ALA 31 5.685 1.707 3.903 156 HB3 ALA 31 HB3 ALA 31 4.184 2.633 3.796 157 H GLN 32 H GLN 32 3.155 -1.048 5.335 158 HA GLN 32 HA GLN 32 5.193 -2.384 6.849 159 HB2 GLN 32 HB2 GLN 32 3.894 -4.399 6.555 160 HB3 GLN 32 HB3 GLN 32 2.833 -3.076 7.019 161 HG2 GLN 32 HG2 GLN 32 2.017 -2.881 4.766 162 HG3 GLN 32 HG3 GLN 32 3.213 -4.055 4.201 163 HE21 GLN 32 HE21 GLN 32 2.903 -6.218 4.653 164 HE22 GLN 32 HE22 GLN 32 1.372 -6.837 5.185 165 H SER 33 H SER 33 6.494 -4.087 6.130 166 HA SER 33 HA SER 33 7.515 -3.863 3.490 167 HB2 SER 33 HB2 SER 33 7.925 -6.120 5.471 168 HB3 SER 33 HB3 SER 33 8.986 -5.657 4.135 169 HG SER 33 HG SER 33 8.386 -4.213 6.481 170 H ALA 34 H ALA 34 7.268 -5.350 1.802 171 HA ALA 34 HA ALA 34 4.655 -6.466 1.614 172 HB1 ALA 34 HB1 ALA 34 5.795 -5.490 -0.318 173 HB2 ALA 34 HB2 ALA 34 5.342 -7.172 -0.619 174 HB3 ALA 34 HB3 ALA 34 7.015 -6.763 -0.241 175 H TRP 35 H TRP 35 4.032 -8.605 1.610 176 HA TRP 35 HA TRP 35 5.526 -10.506 3.059 177 HB2 TRP 35 HB2 TRP 35 3.178 -10.801 1.170 178 HB3 TRP 35 HB3 TRP 35 3.815 -12.129 2.137 179 HD1 TRP 35 HD TRP 35 1.582 -9.081 2.349 180 HE1 TRP 35 HE1 TRP 35 0.539 -8.955 4.711 181 HE3 TRP 35 HE3 TRP 35 4.351 -12.705 4.659 182 HZ2 TRP 35 HZ2 TRP 35 0.855 -10.217 7.201 183 HZ3 TRP 35 HZ3 TRP 35 3.915 -13.179 7.033 184 HH2 TRP 35 HH TRP 35 2.206 -11.960 8.270 185 H ASP 36 H ASP 36 5.045 -9.877 -0.345 186 HA ASP 36 HA ASP 36 7.562 -11.093 -1.034 187 HB2 ASP 36 HB2 ASP 36 5.842 -12.916 -1.333 188 HB3 ASP 36 HB3 ASP 36 4.948 -11.837 -2.399 189 H ILE 37 H ILE 37 8.257 -10.166 -3.174 190 HA ILE 37 HA ILE 37 7.393 -7.503 -3.360 191 HB ILE 37 HB ILE 37 9.182 -9.136 -5.152 192 HG12 ILE 37 HG12 ILE 37 9.938 -8.713 -2.870 193 HG13 ILE 37 HG11 ILE 37 10.961 -7.901 -4.064 194 HG21 ILE 37 HG21 ILE 37 9.870 -7.037 -6.208 195 HG22 ILE 37 HG22 ILE 37 8.698 -6.150 -5.236 196 HG23 ILE 37 HG23 ILE 37 8.142 -7.306 -6.444 197 HD11 ILE 37 HD11 ILE 37 10.551 -6.418 -2.168 198 HD12 ILE 37 HD31 ILE 37 9.692 -5.823 -3.599 199 HD13 ILE 37 HD21 ILE 37 8.808 -6.681 -2.356 200 H VAL 38 H VAL 38 5.411 -7.194 -3.794 201 HA VAL 38 HA VAL 38 4.582 -7.906 -6.461 202 HB VAL 38 HB VAL 38 2.866 -7.883 -3.955 203 HG11 VAL 38 HG11 VAL 38 1.934 -8.140 -6.802 204 HG12 VAL 38 HG12 VAL 38 1.540 -6.855 -5.655 205 HG13 VAL 38 HG13 VAL 38 0.950 -8.489 -5.382 206 HG21 VAL 38 HG21 VAL 38 4.125 -9.940 -4.306 207 HG22 VAL 38 HG22 VAL 38 3.453 -10.086 -5.929 208 HG23 VAL 38 HG23 VAL 38 2.397 -10.220 -4.523 209 H VAL 39 H VAL 39 3.886 -6.146 -7.646 210 HA VAL 39 HA VAL 39 3.687 -3.589 -6.222 211 HB VAL 39 HB VAL 39 3.969 -2.551 -8.527 212 HG11 VAL 39 HG11 VAL 39 6.206 -4.156 -7.307 213 HG12 VAL 39 HG12 VAL 39 5.731 -2.476 -6.979 214 HG13 VAL 39 HG13 VAL 39 6.421 -2.899 -8.536 215 HG21 VAL 39 HG21 VAL 39 3.449 -4.469 -9.912 216 HG22 VAL 39 HG22 VAL 39 4.786 -5.370 -9.204 217 HG23 VAL 39 HG23 VAL 39 5.114 -3.959 -10.213 218 H ASP 40 H ASP 40 1.753 -5.869 -7.116 219 HA ASP 40 HA ASP 40 -0.352 -4.210 -8.243 220 HB2 ASP 40 HB2 ASP 40 -0.413 -7.113 -7.429 221 HB3 ASP 40 HB3 ASP 40 -1.737 -6.190 -8.158 222 H ASN 41 H ASN 41 0.893 -4.548 -5.250 223 HA ASN 41 HA ASN 41 -1.701 -4.003 -4.015 224 HB2 ASN 41 HB2 ASN 41 0.594 -5.624 -2.963 225 HB3 ASN 41 HB3 ASN 41 -0.648 -4.962 -1.907 226 HD21 ASN 41 HD21 ASN 41 0.094 -7.730 -2.460 227 HD22 ASN 41 HD22 ASN 41 -1.314 -8.527 -3.029 228 H CYS 42 H CYS 42 -1.786 -2.164 -2.868 229 HA CYS 42 HA CYS 42 0.589 -0.522 -2.645 230 HB2 CYS 42 HB2 CYS 42 -1.808 0.392 -3.022 231 HB3 CYS 42 HB3 CYS 42 -2.118 -0.077 -1.375 232 H ALA 43 H ALA 43 1.914 -0.685 -0.960 233 HA ALA 43 HA ALA 43 1.067 -2.397 1.249 234 HB1 ALA 43 HB1 ALA 43 3.800 -1.306 0.589 235 HB2 ALA 43 HB2 ALA 43 3.174 -2.886 0.121 236 HB3 ALA 43 HB3 ALA 43 3.427 -2.512 1.831 237 H ILE 44 H ILE 44 1.311 0.864 0.495 238 HA ILE 44 HA ILE 44 2.183 1.845 3.021 239 HB ILE 44 HB ILE 44 0.715 3.280 0.798 240 HG12 ILE 44 HG12 ILE 44 3.674 2.965 1.368 241 HG13 ILE 44 HG11 ILE 44 2.772 2.218 0.092 242 HG21 ILE 44 HG21 ILE 44 2.375 4.337 3.113 243 HG22 ILE 44 HG22 ILE 44 0.622 4.493 2.944 244 HG23 ILE 44 HG23 ILE 44 1.694 5.315 1.812 245 HD11 ILE 44 HD11 ILE 44 3.083 5.185 0.354 246 HD12 ILE 44 HD31 ILE 44 4.059 4.158 -0.693 247 HD13 ILE 44 HD21 ILE 44 2.323 4.308 -0.975 248 H CYS 45 H CYS 45 -0.943 1.574 1.419 249 HA CYS 45 HA CYS 45 -2.330 2.199 3.930 250 HB2 CYS 45 HB2 CYS 45 -4.366 2.161 2.486 251 HB3 CYS 45 HB3 CYS 45 -3.152 3.288 1.876 252 H ARG 46 H ARG 46 -1.563 -0.242 1.730 253 HA ARG 46 HA ARG 46 -1.691 -2.368 1.597 254 HB2 ARG 46 HB2 ARG 46 -1.028 -2.468 3.922 255 HB3 ARG 46 HB3 ARG 46 -2.707 -2.477 4.435 256 HG2 ARG 46 HG2 ARG 46 -1.762 -4.705 4.529 257 HG3 ARG 46 HG3 ARG 46 -3.042 -4.633 3.318 258 HD2 ARG 46 HD2 ARG 46 -0.117 -4.346 2.618 259 HD3 ARG 46 HD3 ARG 46 -0.916 -5.919 2.678 260 HE ARG 46 HE ARG 46 -1.396 -3.763 0.767 261 HH11 ARG 46 HH11 ARG 46 -1.948 -7.148 1.747 262 HH12 ARG 46 HH12 ARG 46 -2.881 -7.510 0.373 263 HH21 ARG 46 HH21 ARG 46 -2.740 -4.311 -1.105 264 HH22 ARG 46 HH22 ARG 46 -3.362 -5.885 -1.243 265 H ASN 47 H ASN 47 -3.336 -1.229 0.282 266 HA ASN 47 HA ASN 47 -5.480 -3.249 0.204 267 HB2 ASN 47 HB2 ASN 47 -6.400 -0.827 0.658 268 HB3 ASN 47 HB3 ASN 47 -5.868 -0.486 -0.974 269 HD21 ASN 47 HD21 ASN 47 -8.012 -0.065 -1.622 270 HD22 ASN 47 HD22 ASN 47 -9.140 -1.318 -1.917 271 H HIS 48 H HIS 48 -6.371 -2.886 -2.379 272 HA HIS 48 HA HIS 48 -4.247 -4.069 -3.847 273 HB2 HIS 48 HB2 HIS 48 -6.716 -4.531 -4.139 274 HB3 HIS 48 HB3 HIS 48 -6.846 -2.978 -4.953 275 HD2 HIS 48 HD2 HIS 48 -4.375 -6.019 -5.550 276 HE1 HIS 48 HE1 HIS 48 -6.085 -4.843 -9.236 277 HE2 HIS 48 HE2 HIS 48 -4.954 -6.674 -7.951 278 H ILE 49 H ILE 49 -3.401 -3.267 -5.948 279 HA ILE 49 HA ILE 49 -2.011 -0.909 -5.639 280 HB ILE 49 HB ILE 49 -1.215 -2.624 -7.116 281 HG12 ILE 49 HG12 ILE 49 -0.676 -1.271 -9.154 282 HG13 ILE 49 HG11 ILE 49 -1.894 -0.130 -8.637 283 HG21 ILE 49 HG21 ILE 49 -3.591 -2.063 -8.890 284 HG22 ILE 49 HG22 ILE 49 -3.309 -3.530 -7.952 285 HG23 ILE 49 HG23 ILE 49 -2.239 -3.123 -9.293 286 HD11 ILE 49 HD11 ILE 49 0.477 -0.878 -7.006 287 HD12 ILE 49 HD31 ILE 49 0.334 0.593 -8.017 288 HD13 ILE 49 HD21 ILE 49 -0.794 0.351 -6.684 289 H MET 50 H MET 50 -4.914 -1.395 -7.556 290 HA MET 50 HA MET 50 -5.006 1.461 -7.686 291 HB2 MET 50 HB2 MET 50 -4.122 0.872 -9.698 292 HB3 MET 50 HB3 MET 50 -5.213 -0.420 -10.053 293 HG2 MET 50 HG2 MET 50 -7.021 1.364 -10.200 294 HG3 MET 50 HG3 MET 50 -5.737 2.562 -10.012 295 HE1 MET 50 HE1 MET 50 -7.405 -0.108 -12.281 296 HE2 MET 50 HE2 MET 50 -5.853 -0.861 -11.917 297 HE3 MET 50 HE3 MET 50 -6.205 -0.316 -13.555 298 H ASP 51 H ASP 51 -6.503 1.552 -6.215 299 HA ASP 51 HA ASP 51 -9.236 0.899 -6.690 300 HB2 ASP 51 HB2 ASP 51 -8.077 -1.301 -5.929 301 HB3 ASP 51 HB3 ASP 51 -7.831 -0.498 -4.389 302 H LEU 52 H LEU 52 -9.988 1.059 -4.003 303 HA LEU 52 HA LEU 52 -9.534 3.805 -3.259 304 HB2 LEU 52 HB2 LEU 52 -10.990 1.482 -2.018 305 HB3 LEU 52 HB3 LEU 52 -10.951 3.097 -1.335 306 HG LEU 52 HG LEU 52 -12.001 2.551 -4.108 307 HD11 LEU 52 HD11 LEU 52 -14.246 2.698 -3.095 308 HD12 LEU 52 HD12 LEU 52 -13.515 2.624 -1.489 309 HD13 LEU 52 HD13 LEU 52 -13.359 1.271 -2.593 310 HD21 LEU 52 HD21 LEU 52 -11.374 4.844 -3.723 311 HD22 LEU 52 HD22 LEU 52 -12.201 4.831 -2.167 312 HD23 LEU 52 HD23 LEU 52 -13.142 4.732 -3.653 313 H CYS 53 H CYS 53 -8.587 4.517 -1.334 314 HA CYS 53 HA CYS 53 -6.453 2.789 -0.323 315 HB2 CYS 53 HB2 CYS 53 -7.080 5.637 0.491 316 HB3 CYS 53 HB3 CYS 53 -5.563 4.772 0.687 317 H ILE 54 H ILE 54 -6.115 3.190 2.095 318 HA ILE 54 HA ILE 54 -7.600 1.721 3.746 319 HB ILE 54 HB ILE 54 -6.934 3.566 5.537 320 HG12 ILE 54 HG12 ILE 54 -5.256 4.273 3.106 321 HG13 ILE 54 HG11 ILE 54 -6.327 5.304 3.942 322 HG21 ILE 54 HG21 ILE 54 -6.079 1.379 5.559 323 HG22 ILE 54 HG22 ILE 54 -4.774 2.559 5.709 324 HG23 ILE 54 HG23 ILE 54 -5.018 1.709 4.174 325 HD11 ILE 54 HD11 ILE 54 -3.805 4.197 5.107 326 HD12 ILE 54 HD31 ILE 54 -4.084 5.841 4.517 327 HD13 ILE 54 HD21 ILE 54 -4.965 5.255 5.932 328 H GLU 55 H GLU 55 -7.779 5.118 4.453 329 HA GLU 55 HA GLU 55 -10.347 5.034 5.607 330 HB2 GLU 55 HB2 GLU 55 -8.654 7.340 4.710 331 HB3 GLU 55 HB3 GLU 55 -10.016 7.407 5.809 332 HG2 GLU 55 HG2 GLU 55 -7.564 5.781 6.358 333 HG3 GLU 55 HG3 GLU 55 -7.711 7.396 6.988 334 H CYS 56 H CYS 56 -9.073 5.696 2.467 335 HA CYS 56 HA CYS 56 -10.934 7.578 1.563 336 HB2 CYS 56 HB2 CYS 56 -9.408 5.518 -0.004 337 HB3 CYS 56 HB3 CYS 56 -10.299 6.854 -0.736 338 H GLN 57 H GLN 57 -11.021 4.043 1.363 339 HA GLN 57 HA GLN 57 -13.386 3.917 -0.113 340 HB2 GLN 57 HB2 GLN 57 -13.645 1.627 0.789 341 HB3 GLN 57 HB3 GLN 57 -12.078 1.926 0.028 342 HG2 GLN 57 HG2 GLN 57 -11.099 2.158 2.236 343 HG3 GLN 57 HG3 GLN 57 -12.653 1.856 2.995 344 HE21 GLN 57 HE21 GLN 57 -13.296 -0.148 0.836 345 HE22 GLN 57 HE22 GLN 57 -12.389 -1.548 1.243 346 H ALA 58 H ALA 58 -12.922 4.064 3.355 347 HA ALA 58 HA ALA 58 -15.718 3.932 4.004 348 HB1 ALA 58 HB1 ALA 58 -15.010 4.684 6.232 349 HB2 ALA 58 HB2 ALA 58 -13.404 5.037 5.593 350 HB3 ALA 58 HB3 ALA 58 -13.983 3.370 5.651 351 H ASN 59 H ASN 59 -13.364 6.429 3.492 352 HA ASN 59 HA ASN 59 -14.680 8.742 4.339 353 HB2 ASN 59 HB2 ASN 59 -12.248 8.357 3.789 354 HB3 ASN 59 HB3 ASN 59 -12.711 8.436 2.101 355 HD21 ASN 59 HD21 ASN 59 -12.062 10.133 4.959 356 HD22 ASN 59 HD22 ASN 59 -12.145 11.721 4.293 357 H GLN 60 H GLN 60 -14.484 7.160 1.182 358 HA GLN 60 HA GLN 60 -15.268 7.656 -0.855 359 HB2 GLN 60 HB2 GLN 60 -17.743 8.162 0.794 360 HB3 GLN 60 HB3 GLN 60 -17.752 8.108 -0.959 361 HG2 GLN 60 HG2 GLN 60 -16.969 5.804 -0.910 362 HG3 GLN 60 HG3 GLN 60 -16.910 5.860 0.852 363 HE21 GLN 60 HE21 GLN 60 -18.381 4.088 0.902 364 HE22 GLN 60 HE22 GLN 60 -20.057 4.332 0.615 365 H ALA 61 H ALA 61 -13.755 9.414 -0.846 366 HA ALA 61 HA ALA 61 -14.809 12.103 -0.637 367 HB1 ALA 61 HB1 ALA 61 -12.488 11.598 0.055 368 HB2 ALA 61 HB2 ALA 61 -12.557 12.813 -1.219 369 HB3 ALA 61 HB3 ALA 61 -12.109 11.154 -1.612 370 H SER 62 H SER 62 -14.118 13.592 -2.603 371 HA SER 62 HA SER 62 -15.477 12.608 -4.892 372 HB2 SER 62 HB2 SER 62 -13.834 15.133 -4.596 373 HB3 SER 62 HB3 SER 62 -15.063 14.816 -5.815 374 HG SER 62 HG SER 62 -16.539 14.533 -4.046 375 H ALA 63 H ALA 63 -14.197 10.772 -5.313 376 HA ALA 63 HA ALA 63 -12.080 11.224 -7.182 377 HB1 ALA 63 HB1 ALA 63 -10.504 9.697 -6.015 378 HB2 ALA 63 HB2 ALA 63 -11.591 9.693 -4.616 379 HB3 ALA 63 HB3 ALA 63 -10.795 11.181 -5.106 380 H THR 64 H THR 64 -11.626 9.232 -8.343 381 HA THR 64 HA THR 64 -13.912 7.666 -8.835 382 HB THR 64 HB THR 64 -11.038 7.041 -9.566 383 HG1 THR 64 HG3 THR 64 -12.792 9.063 -10.470 384 HG21 THR 64 HG21 THR 64 -13.671 6.518 -10.953 385 HG22 THR 64 HG22 THR 64 -12.690 5.319 -10.110 386 HG23 THR 64 HG23 THR 64 -12.076 6.092 -11.579 387 H SER 65 H SER 65 -14.567 5.762 -7.821 388 HA SER 65 HA SER 65 -12.919 4.789 -5.660 389 HB2 SER 65 HB2 SER 65 -15.674 3.936 -6.573 390 HB3 SER 65 HB3 SER 65 -14.869 3.382 -5.102 391 HG SER 65 HG SER 65 -14.841 6.060 -5.349 392 H GLU 66 H GLU 66 -13.609 3.994 -8.866 393 HA GLU 66 HA GLU 66 -12.781 1.282 -8.951 394 HB2 GLU 66 HB2 GLU 66 -13.884 2.504 -10.816 395 HB3 GLU 66 HB3 GLU 66 -12.445 3.472 -11.018 396 HG2 GLU 66 HG2 GLU 66 -12.465 1.789 -12.701 397 HG3 GLU 66 HG3 GLU 66 -11.176 1.405 -11.569 398 H GLU 67 H GLU 67 -11.165 4.349 -8.921 399 HA GLU 67 HA GLU 67 -8.615 3.198 -8.316 400 HB2 GLU 67 HB2 GLU 67 -7.588 4.450 -10.305 401 HB3 GLU 67 HB3 GLU 67 -8.438 2.937 -10.625 402 HG2 GLU 67 HG2 GLU 67 -10.465 4.326 -11.186 403 HG3 GLU 67 HG3 GLU 67 -9.427 5.739 -11.109 404 H CYS 68 H CYS 68 -8.505 4.421 -6.458 405 HA CYS 68 HA CYS 68 -9.379 7.047 -6.175 406 HB2 CYS 68 HB2 CYS 68 -8.962 5.689 -4.230 407 HB3 CYS 68 HB3 CYS 68 -7.273 5.479 -4.636 408 H THR 69 H THR 69 -5.994 6.106 -6.035 409 HA THR 69 HA THR 69 -5.149 7.734 -8.210 410 HB THR 69 HB THR 69 -3.517 8.847 -6.343 411 HG1 THR 69 HG3 THR 69 -5.968 8.308 -5.180 412 HG21 THR 69 HG21 THR 69 -4.776 10.957 -6.655 413 HG22 THR 69 HG22 THR 69 -6.134 10.034 -7.302 414 HG23 THR 69 HG23 THR 69 -4.606 10.083 -8.180 415 H VAL 70 H VAL 70 -3.283 6.793 -9.013 416 HA VAL 70 HA VAL 70 -1.577 5.306 -7.179 417 HB VAL 70 HB VAL 70 -3.199 3.648 -8.141 418 HG11 VAL 70 HG11 VAL 70 -1.950 4.399 -10.751 419 HG12 VAL 70 HG12 VAL 70 -3.631 4.648 -10.270 420 HG13 VAL 70 HG13 VAL 70 -3.006 3.013 -10.496 421 HG21 VAL 70 HG21 VAL 70 -1.005 2.887 -7.451 422 HG22 VAL 70 HG22 VAL 70 -0.348 3.326 -9.026 423 HG23 VAL 70 HG23 VAL 70 -1.527 2.021 -8.898 424 H ALA 71 H ALA 71 0.567 5.107 -7.801 425 HA ALA 71 HA ALA 71 1.319 6.533 -10.242 426 HB1 ALA 71 HB1 ALA 71 3.079 7.704 -8.985 427 HB2 ALA 71 HB2 ALA 71 2.411 7.062 -7.479 428 HB3 ALA 71 HB3 ALA 71 1.462 8.166 -8.477 429 H TRP 72 H TRP 72 3.088 5.759 -11.229 430 HA TRP 72 HA TRP 72 4.129 3.270 -10.179 431 HB2 TRP 72 HB2 TRP 72 4.741 4.561 -12.763 432 HB3 TRP 72 HB3 TRP 72 4.883 2.879 -12.388 433 HD1 TRP 72 HD TRP 72 2.810 4.813 -14.522 434 HE1 TRP 72 HE1 TRP 72 0.415 3.903 -14.810 435 HE3 TRP 72 HE3 TRP 72 2.646 1.710 -10.528 436 HZ2 TRP 72 HZ2 TRP 72 -1.318 2.131 -13.511 437 HZ3 TRP 72 HZ3 TRP 72 0.538 0.420 -10.095 438 HH2 TRP 72 HH TRP 72 -1.382 0.648 -11.559 439 H GLY 73 H GLY 73 6.231 3.070 -9.669 440 HA2 GLY 73 HA2 GLY 73 7.841 5.506 -9.450 441 HA3 GLY 73 HA3 GLY 73 8.014 3.985 -8.573 442 H VAL 74 H VAL 74 9.799 5.677 -10.413 443 HA VAL 74 HA VAL 74 10.432 4.122 -12.684 444 HB VAL 74 HB VAL 74 12.326 5.910 -11.101 445 HG11 VAL 74 HG11 VAL 74 12.466 4.967 -13.947 446 HG12 VAL 74 HG12 VAL 74 13.579 4.553 -12.634 447 HG13 VAL 74 HG13 VAL 74 13.500 6.208 -13.247 448 HG21 VAL 74 HG21 VAL 74 10.314 7.119 -11.751 449 HG22 VAL 74 HG22 VAL 74 10.542 6.608 -13.417 450 HG23 VAL 74 HG23 VAL 74 11.706 7.699 -12.667 451 H CYS 75 H CYS 75 11.015 3.846 -9.403 452 HA CYS 75 HA CYS 75 13.287 2.105 -9.370 453 HB2 CYS 75 HB2 CYS 75 12.487 3.752 -7.578 454 HB3 CYS 75 HB3 CYS 75 11.248 2.571 -7.202 455 H ASN 76 H ASN 76 10.618 1.471 -10.832 456 HA ASN 76 HA ASN 76 9.408 -0.286 -11.451 457 HB2 ASN 76 HB2 ASN 76 11.725 -1.292 -11.573 458 HB3 ASN 76 HB3 ASN 76 11.446 -1.982 -9.983 459 HD21 ASN 76 HD21 ASN 76 10.425 -1.952 -13.311 460 HD22 ASN 76 HD22 ASN 76 9.679 -3.500 -13.340 461 H HIS 77 H HIS 77 8.618 1.058 -9.317 462 HA HIS 77 HA HIS 77 7.376 -1.031 -7.730 463 HB2 HIS 77 HB2 HIS 77 8.752 1.399 -6.789 464 HB3 HIS 77 HB3 HIS 77 7.286 0.894 -5.918 465 HD2 HIS 77 HD2 HIS 77 7.956 -2.366 -6.018 466 HE1 HIS 77 HE1 HIS 77 11.322 -1.239 -3.731 467 HE2 HIS 77 HE2 HIS 77 10.110 -3.098 -4.905 468 H ALA 78 H ALA 78 5.263 -0.437 -6.802 469 HA ALA 78 HA ALA 78 3.998 1.781 -8.161 470 HB1 ALA 78 HB1 ALA 78 2.177 0.418 -8.900 471 HB2 ALA 78 HB2 ALA 78 2.856 -0.992 -8.121 472 HB3 ALA 78 HB3 ALA 78 3.673 -0.281 -9.531 473 H PHE 79 H PHE 79 2.805 2.869 -6.803 474 HA PHE 79 HA PHE 79 1.546 1.564 -4.505 475 HB2 PHE 79 HB2 PHE 79 3.272 4.033 -4.336 476 HB3 PHE 79 HB3 PHE 79 2.300 3.419 -3.013 477 HD1 PHE 79 HD2 PHE 79 2.962 1.137 -2.019 478 HD2 PHE 79 HD3 PHE 79 5.408 3.215 -4.833 479 HE1 PHE 79 HE2 PHE 79 4.937 -0.281 -1.404 480 HE2 PHE 79 HE1 PHE 79 7.306 1.827 -4.221 481 HZ PHE 79 HZ PHE 79 7.070 0.082 -2.506 482 H HIS 80 H HIS 80 -0.071 3.177 -3.461 483 HA HIS 80 HA HIS 80 -1.546 4.449 -5.504 484 HB2 HIS 80 HB2 HIS 80 -1.684 4.372 -2.517 485 HB3 HIS 80 HB3 HIS 80 -2.574 5.583 -3.379 486 HD2 HIS 80 HD2 HIS 80 -3.731 3.481 -5.786 487 HE1 HIS 80 HE1 HIS 80 -5.667 1.718 -2.492 488 HE2 HIS 80 HE2 HIS 80 -5.903 2.524 -4.711 489 H PHE 81 H PHE 81 -1.436 6.568 -6.122 490 HA PHE 81 HA PHE 81 0.854 8.081 -5.546 491 HB2 PHE 81 HB2 PHE 81 -0.381 8.421 -7.614 492 HB3 PHE 81 HB3 PHE 81 -1.786 8.974 -6.749 493 HD1 PHE 81 HD3 PHE 81 1.769 9.800 -7.429 494 HD2 PHE 81 HD2 PHE 81 -2.056 11.254 -6.245 495 HE1 PHE 81 HE1 PHE 81 2.598 12.097 -7.594 496 HE2 PHE 81 HE2 PHE 81 -1.235 13.556 -6.406 497 HZ PHE 81 HZ PHE 81 1.100 13.990 -7.083 498 H HIS 82 H HIS 82 -2.356 8.103 -4.261 499 HA HIS 82 HA HIS 82 -2.145 10.376 -2.608 500 HB2 HIS 82 HB2 HIS 82 -4.264 9.283 -3.183 501 HB3 HIS 82 HB3 HIS 82 -3.789 7.861 -2.279 502 HD2 HIS 82 HD2 HIS 82 -3.009 10.963 -0.259 503 HE1 HIS 82 HE1 HIS 82 -6.857 9.681 0.967 504 HE2 HIS 82 HE2 HIS 82 -5.145 11.461 1.147 505 H CYS 83 H CYS 83 -1.556 6.890 -1.925 506 HA CYS 83 HA CYS 83 -0.852 7.289 0.763 507 HB2 CYS 83 HB2 CYS 83 -0.148 4.932 -1.030 508 HB3 CYS 83 HB3 CYS 83 -0.147 5.020 0.715 509 H ILE 84 H ILE 84 1.059 6.840 -2.212 510 HA ILE 84 HA ILE 84 3.535 6.933 -0.876 511 HB ILE 84 HB ILE 84 3.228 6.018 -3.222 512 HG12 ILE 84 HG12 ILE 84 5.364 6.971 -4.119 513 HG13 ILE 84 HG11 ILE 84 5.367 8.070 -2.751 514 HG21 ILE 84 HG21 ILE 84 3.332 8.901 -4.066 515 HG22 ILE 84 HG22 ILE 84 1.898 7.884 -3.999 516 HG23 ILE 84 HG23 ILE 84 3.217 7.460 -5.113 517 HD11 ILE 84 HD11 ILE 84 5.452 5.061 -2.571 518 HD12 ILE 84 HD31 ILE 84 6.809 6.158 -2.347 519 HD13 ILE 84 HD21 ILE 84 5.466 6.177 -1.204 520 H SER 85 H SER 85 1.462 9.443 -2.144 521 HA SER 85 HA SER 85 3.161 11.680 -1.966 522 HB2 SER 85 HB2 SER 85 0.872 11.672 -2.929 523 HB3 SER 85 HB3 SER 85 0.215 11.508 -1.329 524 HG SER 85 HG SER 85 1.936 13.677 -1.932 525 H ARG 86 H ARG 86 1.068 10.192 0.415 526 HA ARG 86 HA ARG 86 1.633 11.875 2.646 527 HB2 ARG 86 HB2 ARG 86 0.929 8.935 2.548 528 HB3 ARG 86 HB3 ARG 86 0.958 9.902 4.009 529 HG2 ARG 86 HG2 ARG 86 -0.821 10.449 1.645 530 HG3 ARG 86 HG3 ARG 86 -1.300 9.511 3.067 531 HD2 ARG 86 HD2 ARG 86 -0.434 12.400 3.011 532 HD3 ARG 86 HD3 ARG 86 -2.082 11.801 3.232 533 HE ARG 86 HE ARG 86 0.123 11.292 5.116 534 HH11 ARG 86 HH11 ARG 86 -3.273 12.122 4.494 535 HH12 ARG 86 HH12 ARG 86 -3.731 12.184 6.109 536 HH21 ARG 86 HH21 ARG 86 -0.463 11.364 7.365 537 HH22 ARG 86 HH22 ARG 86 -2.036 11.774 7.834 538 H TRP 87 H TRP 87 3.035 8.921 1.448 539 HA TRP 87 HA TRP 87 4.868 8.384 3.513 540 HB2 TRP 87 HB2 TRP 87 4.188 6.690 1.920 541 HB3 TRP 87 HB3 TRP 87 4.820 7.645 0.592 542 HD1 TRP 87 HD TRP 87 7.240 7.179 -0.111 543 HE1 TRP 87 HE1 TRP 87 9.163 5.798 0.888 544 HE3 TRP 87 HE3 TRP 87 5.119 5.950 4.333 545 HZ2 TRP 87 HZ2 TRP 87 9.715 4.374 3.242 546 HZ3 TRP 87 HZ3 TRP 87 6.416 4.557 5.932 547 HH2 TRP 87 HH TRP 87 8.671 3.792 5.380 548 H LEU 88 H LEU 88 5.196 10.037 0.466 549 HA LEU 88 HA LEU 88 7.955 10.475 0.672 550 HB2 LEU 88 HB2 LEU 88 5.862 11.664 -1.077 551 HB3 LEU 88 HB3 LEU 88 7.571 12.029 -1.262 552 HG LEU 88 HG LEU 88 6.433 9.255 -1.361 553 HD11 LEU 88 HD11 LEU 88 7.188 11.086 -3.619 554 HD12 LEU 88 HD12 LEU 88 5.558 10.551 -3.140 555 HD13 LEU 88 HD13 LEU 88 6.729 9.375 -3.731 556 HD21 LEU 88 HD21 LEU 88 8.627 8.720 -2.377 557 HD22 LEU 88 HD22 LEU 88 8.777 9.265 -0.722 558 HD23 LEU 88 HD23 LEU 88 9.168 10.359 -2.050 559 H LYS 89 H LYS 89 5.267 12.388 1.723 560 HA LYS 89 HA LYS 89 6.761 14.741 2.184 561 HB2 LYS 89 HB2 LYS 89 4.342 13.671 3.639 562 HB3 LYS 89 HB3 LYS 89 5.019 15.270 3.915 563 HG2 LYS 89 HG2 LYS 89 4.572 15.820 1.540 564 HG3 LYS 89 HG3 LYS 89 3.804 14.247 1.350 565 HD2 LYS 89 HD2 LYS 89 2.921 16.382 3.298 566 HD3 LYS 89 HD3 LYS 89 2.176 16.059 1.738 567 HE2 LYS 89 HE2 LYS 89 1.564 13.838 2.449 568 HE3 LYS 89 HE1 LYS 89 2.368 14.075 4.008 569 HZ1 LYS 89 HZ1 LYS 89 -0.081 15.448 2.997 570 HZ2 LYS 89 HZ2 LYS 89 0.821 16.009 4.289 571 HZ3 LYS 89 HZ3 LYS 89 0.069 14.546 4.432 572 H THR 90 H THR 90 6.197 11.819 4.037 573 HA THR 90 HA THR 90 7.821 12.802 6.213 574 HB THR 90 HB THR 90 7.246 10.637 7.314 575 HG1 THR 90 HG3 THR 90 6.643 9.857 4.846 576 HG21 THR 90 HG21 THR 90 4.939 12.173 6.167 577 HG22 THR 90 HG22 THR 90 5.864 12.669 7.590 578 HG23 THR 90 HG23 THR 90 4.879 11.189 7.627 579 H ARG 91 H ARG 91 8.438 10.969 3.347 580 HA ARG 91 HA ARG 91 10.987 10.001 4.407 581 HB2 ARG 91 HB2 ARG 91 8.979 8.277 2.942 582 HB3 ARG 91 HB3 ARG 91 10.623 7.842 3.320 583 HG2 ARG 91 HG2 ARG 91 8.657 8.536 5.477 584 HG3 ARG 91 HG3 ARG 91 8.766 6.924 4.795 585 HD2 ARG 91 HD2 ARG 91 10.141 6.990 6.780 586 HD3 ARG 91 HD3 ARG 91 11.154 6.844 5.365 587 HE ARG 91 HE ARG 91 10.824 9.559 6.157 588 HH11 ARG 91 HH11 ARG 91 12.637 6.594 6.842 589 HH12 ARG 91 HH12 ARG 91 13.983 7.401 7.513 590 HH21 ARG 91 HH21 ARG 91 12.672 10.668 7.032 591 HH22 ARG 91 HH22 ARG 91 13.994 9.781 7.653 592 H GLN 92 H GLN 92 12.577 9.729 2.815 593 HA GLN 92 HA GLN 92 11.879 10.897 0.219 594 HB2 GLN 92 HB2 GLN 92 14.433 10.642 1.753 595 HB3 GLN 92 HB3 GLN 92 14.457 10.950 0.035 596 HG2 GLN 92 HG2 GLN 92 14.660 13.099 1.073 597 HG3 GLN 92 HG3 GLN 92 12.979 12.939 0.534 598 HE21 GLN 92 HE21 GLN 92 11.403 13.063 1.950 599 HE22 GLN 92 HE22 GLN 92 11.588 13.329 3.652 600 H VAL 93 H VAL 93 12.115 7.938 1.560 601 HA VAL 93 HA VAL 93 13.380 6.716 -0.805 602 HB VAL 93 HB VAL 93 14.227 4.915 0.781 603 HG11 VAL 93 HG11 VAL 93 15.212 7.736 1.233 604 HG12 VAL 93 HG12 VAL 93 15.669 6.676 -0.104 605 HG13 VAL 93 HG13 VAL 93 16.126 6.254 1.551 606 HG21 VAL 93 HG21 VAL 93 13.463 6.994 2.816 607 HG22 VAL 93 HG22 VAL 93 14.381 5.524 3.164 608 HG23 VAL 93 HG23 VAL 93 12.691 5.421 2.636 609 H CYS 94 H CYS 94 12.676 4.593 -1.354 610 HA CYS 94 HA CYS 94 9.987 4.017 -1.334 611 HB2 CYS 94 HB2 CYS 94 12.355 2.225 -1.505 612 HB3 CYS 94 HB3 CYS 94 10.728 1.618 -1.782 613 HA PRO 95 HA PRO 95 9.227 2.368 2.766 614 HB2 PRO 95 HB2 PRO 95 6.946 0.993 2.179 615 HB3 PRO 95 HB3 PRO 95 6.981 2.753 2.377 616 HG2 PRO 95 HG2 PRO 95 6.994 1.110 -0.113 617 HG3 PRO 95 HG3 PRO 95 6.106 2.602 0.229 618 HD2 PRO 95 HD2 PRO 95 8.391 2.535 -1.228 619 HD3 PRO 95 HD3 PRO 95 7.982 3.943 -0.256 620 H LEU 96 H LEU 96 9.583 0.549 -0.068 621 HA LEU 96 HA LEU 96 9.853 -2.003 1.375 622 HB2 LEU 96 HB2 LEU 96 9.916 -1.520 -1.610 623 HB3 LEU 96 HB3 LEU 96 9.807 -3.068 -0.811 624 HG LEU 96 HG LEU 96 7.697 -0.947 -0.918 625 HD11 LEU 96 HD11 LEU 96 7.827 -3.681 -2.153 626 HD12 LEU 96 HD12 LEU 96 8.000 -2.140 -2.995 627 HD13 LEU 96 HD13 LEU 96 6.459 -2.569 -2.250 628 HD21 LEU 96 HD21 LEU 96 6.251 -2.634 0.187 629 HD22 LEU 96 HD22 LEU 96 7.558 -2.071 1.229 630 HD23 LEU 96 HD23 LEU 96 7.673 -3.646 0.436 631 H ASP 97 H ASP 97 11.466 -0.027 -1.056 632 HA ASP 97 HA ASP 97 13.848 -1.620 -1.106 633 HB2 ASP 97 HB2 ASP 97 12.970 0.836 -2.508 634 HB3 ASP 97 HB3 ASP 97 14.690 0.501 -2.456 635 H ASN 98 H ASN 98 12.903 1.309 0.544 636 HA ASN 98 HA ASN 98 14.021 2.867 1.714 637 HB2 ASN 98 HB2 ASN 98 14.558 0.894 3.147 638 HB3 ASN 98 HB3 ASN 98 16.021 0.643 2.204 639 HD21 ASN 98 HD21 ASN 98 17.217 0.809 4.113 640 HD22 ASN 98 HD22 ASN 98 17.577 2.323 4.858 641 H ARG 99 H ARG 99 14.396 2.806 -1.020 642 HA ARG 99 HA ARG 99 17.050 4.074 -1.328 643 HB2 ARG 99 HB2 ARG 99 15.395 2.670 -3.442 644 HB3 ARG 99 HB3 ARG 99 16.890 3.530 -3.732 645 HG2 ARG 99 HG2 ARG 99 18.082 1.901 -2.364 646 HG3 ARG 99 HG3 ARG 99 16.536 1.069 -2.099 647 HD2 ARG 99 HD2 ARG 99 17.745 -0.051 -3.920 648 HD3 ARG 99 HD3 ARG 99 16.306 0.755 -4.539 649 HE ARG 99 HE ARG 99 18.842 2.177 -4.628 650 HH11 ARG 99 HH11 ARG 99 16.280 0.444 -6.441 651 HH12 ARG 99 HH12 ARG 99 16.776 1.049 -7.936 652 HH21 ARG 99 HH21 ARG 99 19.493 2.977 -6.784 653 HH22 ARG 99 HH22 ARG 99 18.567 2.488 -8.144 654 H GLU 100 H GLU 100 16.943 5.944 -2.859 655 HA GLU 100 HA GLU 100 14.887 7.700 -2.216 656 HB2 GLU 100 HB2 GLU 100 17.077 8.378 -3.121 657 HB3 GLU 100 HB3 GLU 100 16.634 7.689 -4.677 658 HG2 GLU 100 HG2 GLU 100 14.818 9.329 -4.873 659 HG3 GLU 100 HG3 GLU 100 15.289 10.007 -3.317 660 H TRP 101 H TRP 101 12.820 7.921 -2.900 661 HA TRP 101 HA TRP 101 11.865 6.125 -4.910 662 HB2 TRP 101 HB2 TRP 101 10.334 6.319 -3.163 663 HB3 TRP 101 HB3 TRP 101 10.537 8.038 -3.007 664 HD1 TRP 101 HD TRP 101 9.116 9.593 -4.676 665 HE1 TRP 101 HE1 TRP 101 7.067 9.138 -6.134 666 HE3 TRP 101 HE3 TRP 101 9.224 4.537 -4.574 667 HZ2 TRP 101 HZ2 TRP 101 5.655 6.920 -7.120 668 HZ3 TRP 101 HZ3 TRP 101 7.460 3.278 -5.815 669 HH2 TRP 101 HH TRP 101 5.718 4.478 -7.059 670 H GLU 102 H GLU 102 11.296 6.613 -6.961 671 HA GLU 102 HA GLU 102 11.399 9.418 -7.856 672 HB2 GLU 102 HB2 GLU 102 12.445 6.942 -9.229 673 HB3 GLU 102 HB3 GLU 102 12.326 8.520 -9.989 674 HG2 GLU 102 HG2 GLU 102 13.914 9.430 -8.406 675 HG3 GLU 102 HG3 GLU 102 13.988 7.890 -7.558 676 H PHE 103 H PHE 103 9.540 10.031 -8.884 677 HA PHE 103 HA PHE 103 7.455 8.099 -9.448 678 HB2 PHE 103 HB2 PHE 103 7.693 11.050 -10.047 679 HB3 PHE 103 HB3 PHE 103 6.339 10.072 -10.554 680 HD1 PHE 103 HD2 PHE 103 5.021 8.910 -8.724 681 HD2 PHE 103 HD3 PHE 103 7.721 12.086 -8.022 682 HE1 PHE 103 HE2 PHE 103 3.868 9.397 -6.586 683 HE2 PHE 103 HE1 PHE 103 6.596 12.598 -5.889 684 HZ PHE 103 HZ PHE 103 4.662 11.252 -5.175 685 H GLN 104 H GLN 104 7.031 7.142 -11.367 686 HA GLN 104 HA GLN 104 8.812 7.729 -13.596 687 HB2 GLN 104 HB2 GLN 104 8.223 5.351 -12.963 688 HB3 GLN 104 HB3 GLN 104 6.580 5.708 -13.400 689 HG2 GLN 104 HG2 GLN 104 7.618 4.528 -15.186 690 HG3 GLN 104 HG3 GLN 104 7.258 6.175 -15.705 691 HE21 GLN 104 HE21 GLN 104 9.724 3.864 -14.983 692 HE22 GLN 104 HE22 GLN 104 11.050 4.775 -15.598 693 H LYS 105 H LYS 105 5.345 7.053 -13.629 694 HA LYS 105 HA LYS 105 4.948 9.233 -15.554 695 HB2 LYS 105 HB2 LYS 105 4.161 6.910 -16.106 696 HB3 LYS 105 HB3 LYS 105 3.100 6.984 -14.719 697 HG2 LYS 105 HG2 LYS 105 1.786 7.384 -16.661 698 HG3 LYS 105 HG3 LYS 105 1.924 8.905 -15.786 699 HD2 LYS 105 HD2 LYS 105 2.208 9.371 -18.108 700 HD3 LYS 105 HD3 LYS 105 3.794 9.531 -17.353 701 HE2 LYS 105 HE2 LYS 105 4.391 7.293 -18.126 702 HE3 LYS 105 HE1 LYS 105 2.798 7.101 -18.858 703 HZ1 LYS 105 HZ1 LYS 105 4.916 9.034 -19.646 704 HZ2 LYS 105 HZ2 LYS 105 3.339 9.030 -20.295 705 HZ3 LYS 105 HZ3 LYS 105 4.350 7.710 -20.537 706 H TYR 106 H TYR 106 4.857 8.697 -12.367 707 HA TYR 106 HA TYR 106 3.762 9.269 -10.511 708 HB2 TYR 106 HB2 TYR 106 3.470 11.638 -10.077 709 HB3 TYR 106 HB3 TYR 106 4.954 11.374 -10.958 710 HD1 TYR 106 HD2 TYR 106 1.617 12.832 -11.011 711 HD2 TYR 106 HD3 TYR 106 5.200 12.292 -13.233 712 HE1 TYR 106 HE2 TYR 106 0.925 14.617 -12.540 713 HE2 TYR 106 HE1 TYR 106 4.521 14.091 -14.773 714 HH TYR 106 HH TYR 106 2.375 15.177 -15.521 715 H GLY 107 H GLY 107 1.991 8.312 -12.711 716 HA2 GLY 107 HA2 GLY 107 -0.355 8.254 -11.243 717 HA3 GLY 107 HA3 GLY 107 -0.512 9.421 -12.571 718 H HIS 108 H HIS 108 -2.169 7.445 -12.934 719 HA HIS 108 HA HIS 108 -0.747 5.535 -14.617 720 HB2 HIS 108 HB2 HIS 108 -2.801 4.122 -14.460 721 HB3 HIS 108 HB3 HIS 108 -2.032 4.428 -12.906 722 HD2 HIS 108 HD2 HIS 108 -5.457 4.536 -14.444 723 HE1 HIS 108 HE1 HIS 108 -5.633 7.106 -11.083 724 HE2 HIS 108 HE2 HIS 108 -6.973 5.841 -12.830 Start of MODEL 15 1 H1 GLY 9 H GLY 9 13.668 22.941 41.953 2 HA2 GLY 9 HA2 GLY 9 12.206 21.249 41.379 3 HA3 GLY 9 HA3 GLY 9 12.849 21.341 39.742 4 H GLY 10 H GLY 10 13.421 19.333 39.144 5 HA2 GLY 10 HA2 GLY 10 15.490 17.959 40.525 6 HA3 GLY 10 HA3 GLY 10 13.927 17.190 40.782 7 H GLY 11 H GLY 11 15.000 15.381 39.674 8 HA2 GLY 11 HA2 GLY 11 15.268 15.769 36.771 9 HA3 GLY 11 HA3 GLY 11 15.905 14.406 37.684 10 H GLY 12 H GLY 12 14.575 13.844 35.410 11 HA2 GLY 12 HA2 GLY 12 11.870 13.048 36.293 12 HA3 GLY 12 HA3 GLY 12 12.345 13.337 34.628 13 H THR 13 H THR 13 11.259 11.155 34.515 14 HA THR 13 HA THR 13 13.311 9.111 34.470 15 HB THR 13 HB THR 13 12.139 8.766 36.657 16 HG1 THR 13 HG3 THR 13 12.639 6.787 36.167 17 HG21 THR 13 HG21 THR 13 9.682 8.375 34.937 18 HG22 THR 13 HG22 THR 13 9.945 9.679 36.097 19 HG23 THR 13 HG23 THR 13 9.784 8.014 36.661 20 H ASN 14 H ASN 14 12.538 7.245 33.084 21 HA ASN 14 HA ASN 14 10.565 8.207 31.125 22 HB2 ASN 14 HB2 ASN 14 11.956 7.650 29.273 23 HB3 ASN 14 HB3 ASN 14 12.948 8.607 30.366 24 HD21 ASN 14 HD21 ASN 14 14.624 7.593 31.493 25 HD22 ASN 14 HD22 ASN 14 15.239 6.044 31.039 26 H SER 15 H SER 15 9.801 6.467 29.679 27 HA SER 15 HA SER 15 9.920 3.857 31.014 28 HB2 SER 15 HB2 SER 15 7.590 5.053 29.500 29 HB3 SER 15 HB3 SER 15 7.609 3.479 30.297 30 HG SER 15 HG SER 15 8.355 5.023 32.139 31 H GLY 16 H GLY 16 11.511 2.942 29.762 32 HA2 GLY 16 HA2 GLY 16 11.719 3.202 26.950 33 HA3 GLY 16 HA3 GLY 16 12.499 1.978 27.942 34 H ALA 17 H ALA 17 10.128 0.841 29.008 35 HA ALA 17 HA ALA 17 9.514 -0.937 26.882 36 HB1 ALA 17 HB1 ALA 17 8.110 -2.103 28.488 37 HB2 ALA 17 HB2 ALA 17 8.206 -0.732 29.590 38 HB3 ALA 17 HB3 ALA 17 9.653 -1.674 29.231 39 H GLY 18 H GLY 18 7.584 -1.323 25.917 40 HA2 GLY 18 HA2 GLY 18 5.157 -0.032 26.189 41 HA3 GLY 18 HA3 GLY 18 6.122 1.041 25.189 42 H LYS 19 H LYS 19 7.449 -1.735 24.382 43 HA LYS 19 HA LYS 19 5.785 -2.044 22.049 44 HB2 LYS 19 HB2 LYS 19 8.406 -3.302 22.852 45 HB3 LYS 19 HB3 LYS 19 7.587 -3.602 21.329 46 HG2 LYS 19 HG2 LYS 19 7.806 -1.211 20.777 47 HG3 LYS 19 HG3 LYS 19 8.695 -0.965 22.283 48 HD2 LYS 19 HD2 LYS 19 9.523 -2.860 20.080 49 HD3 LYS 19 HD3 LYS 19 10.161 -1.233 20.283 50 HE2 LYS 19 HE2 LYS 19 10.939 -1.883 22.558 51 HE3 LYS 19 HE1 LYS 19 10.417 -3.531 22.223 52 HZ1 LYS 19 HZ1 LYS 19 12.496 -2.014 20.732 53 HZ2 LYS 19 HZ2 LYS 19 11.968 -3.551 20.320 54 HZ3 LYS 19 HZ3 LYS 19 12.768 -3.300 21.786 55 H LYS 20 H LYS 20 4.990 -4.075 21.375 56 HA LYS 20 HA LYS 20 4.914 -6.227 23.304 57 HB2 LYS 20 HB2 LYS 20 2.496 -6.490 23.122 58 HB3 LYS 20 HB3 LYS 20 2.895 -4.918 23.801 59 HG2 LYS 20 HG2 LYS 20 2.405 -3.831 21.699 60 HG3 LYS 20 HG3 LYS 20 2.161 -5.384 20.913 61 HD2 LYS 20 HD2 LYS 20 0.025 -4.364 21.461 62 HD3 LYS 20 HD3 LYS 20 0.256 -5.832 22.419 63 HE2 LYS 20 HE2 LYS 20 0.940 -4.454 24.330 64 HE3 LYS 20 HE1 LYS 20 0.726 -3.000 23.358 65 HZ1 LYS 20 HZ1 LYS 20 -1.179 -3.460 24.800 66 HZ2 LYS 20 HZ2 LYS 20 -1.440 -4.933 23.975 67 HZ3 LYS 20 HZ3 LYS 20 -1.606 -3.483 23.165 68 H ARG 21 H ARG 21 4.105 -8.216 22.281 69 HA ARG 21 HA ARG 21 5.271 -8.544 19.715 70 HB2 ARG 21 HB2 ARG 21 5.117 -10.394 21.336 71 HB3 ARG 21 HB3 ARG 21 3.364 -10.384 21.191 72 HG2 ARG 21 HG2 ARG 21 3.566 -10.995 18.831 73 HG3 ARG 21 HG3 ARG 21 5.320 -11.011 18.986 74 HD2 ARG 21 HD2 ARG 21 5.160 -12.800 20.641 75 HD3 ARG 21 HD3 ARG 21 3.399 -12.767 20.517 76 HE ARG 21 HE ARG 21 4.626 -13.166 17.996 77 HH11 ARG 21 HH11 ARG 21 3.786 -14.876 20.991 78 HH12 ARG 21 HH12 ARG 21 3.610 -16.393 20.273 79 HH21 ARG 21 HH21 ARG 21 4.380 -15.269 16.965 80 HH22 ARG 21 HH22 ARG 21 3.993 -16.630 17.918 81 H PHE 22 H PHE 22 4.399 -8.397 17.722 82 HA PHE 22 HA PHE 22 1.624 -7.529 17.610 83 HB2 PHE 22 HB2 PHE 22 3.880 -7.215 15.633 84 HB3 PHE 22 HB3 PHE 22 2.221 -6.762 15.269 85 HD1 PHE 22 HD3 PHE 22 1.134 -4.958 16.645 86 HD2 PHE 22 HD2 PHE 22 5.301 -5.797 16.843 87 HE1 PHE 22 HE1 PHE 22 1.524 -2.744 17.645 88 HE2 PHE 22 HE2 PHE 22 5.702 -3.587 17.847 89 HZ PHE 22 HZ PHE 22 3.813 -2.058 18.253 90 H GLU 23 H GLU 23 0.157 -8.727 16.914 91 HA GLU 23 HA GLU 23 0.795 -11.333 15.758 92 HB2 GLU 23 HB2 GLU 23 -1.605 -10.239 17.224 93 HB3 GLU 23 HB3 GLU 23 -1.521 -11.863 16.553 94 HG2 GLU 23 HG2 GLU 23 0.288 -12.440 18.017 95 HG3 GLU 23 HG3 GLU 23 0.396 -10.783 18.602 96 H VAL 24 H VAL 24 -1.350 -12.070 14.424 97 HA VAL 24 HA VAL 24 -1.375 -10.306 12.186 98 HB VAL 24 HB VAL 24 -2.987 -11.947 11.137 99 HG11 VAL 24 HG11 VAL 24 -0.401 -13.036 12.257 100 HG12 VAL 24 HG12 VAL 24 -0.602 -12.125 10.758 101 HG13 VAL 24 HG13 VAL 24 -1.296 -13.735 10.907 102 HG21 VAL 24 HG21 VAL 24 -4.034 -12.815 13.164 103 HG22 VAL 24 HG22 VAL 24 -2.496 -13.491 13.695 104 HG23 VAL 24 HG23 VAL 24 -3.288 -14.131 12.259 105 H LYS 25 H LYS 25 -2.281 -8.447 12.508 106 HA LYS 25 HA LYS 25 -5.095 -8.180 12.451 107 HB2 LYS 25 HB2 LYS 25 -5.385 -6.965 14.550 108 HB3 LYS 25 HB3 LYS 25 -4.820 -8.597 14.877 109 HG2 LYS 25 HG2 LYS 25 -2.556 -7.739 15.270 110 HG3 LYS 25 HG3 LYS 25 -3.107 -6.113 14.884 111 HD2 LYS 25 HD2 LYS 25 -3.033 -6.318 17.276 112 HD3 LYS 25 HD3 LYS 25 -4.725 -6.278 16.785 113 HE2 LYS 25 HE2 LYS 25 -4.819 -8.734 16.957 114 HE3 LYS 25 HE1 LYS 25 -3.134 -8.756 17.453 115 HZ1 LYS 25 HZ1 LYS 25 -4.539 -8.927 19.363 116 HZ2 LYS 25 HZ2 LYS 25 -5.409 -7.562 18.921 117 HZ3 LYS 25 HZ3 LYS 25 -3.801 -7.397 19.430 118 H LYS 26 H LYS 26 -5.408 -5.565 13.044 119 HA LYS 26 HA LYS 26 -3.332 -4.235 11.456 120 HB2 LYS 26 HB2 LYS 26 -6.223 -3.545 11.994 121 HB3 LYS 26 HB3 LYS 26 -5.101 -2.476 11.167 122 HG2 LYS 26 HG2 LYS 26 -4.842 -4.066 9.369 123 HG3 LYS 26 HG3 LYS 26 -5.842 -5.236 10.232 124 HD2 LYS 26 HD2 LYS 26 -7.158 -4.143 8.497 125 HD3 LYS 26 HD3 LYS 26 -7.742 -3.665 10.088 126 HE2 LYS 26 HE2 LYS 26 -7.651 -1.757 8.579 127 HE3 LYS 26 HE1 LYS 26 -6.534 -1.552 9.914 128 HZ1 LYS 26 HZ1 LYS 26 -5.754 -2.420 7.147 129 HZ2 LYS 26 HZ2 LYS 26 -4.697 -2.104 8.447 130 HZ3 LYS 26 HZ3 LYS 26 -5.628 -0.882 7.809 131 H SER 27 H SER 27 -2.252 -2.534 12.357 132 HA SER 27 HA SER 27 -2.995 -1.782 15.106 133 HB2 SER 27 HB2 SER 27 -1.173 -3.422 15.214 134 HB3 SER 27 HB3 SER 27 -0.224 -2.445 14.100 135 HG SER 27 HG SER 27 -0.954 -1.881 16.780 136 H ASN 28 H ASN 28 -2.581 0.296 15.682 137 HA ASN 28 HA ASN 28 -2.274 2.221 13.601 138 HB2 ASN 28 HB2 ASN 28 -2.488 3.909 15.328 139 HB3 ASN 28 HB3 ASN 28 -3.670 2.640 15.603 140 HD21 ASN 28 HD21 ASN 28 -2.728 4.567 17.453 141 HD22 ASN 28 HD22 ASN 28 -1.982 3.709 18.771 142 H ALA 29 H ALA 29 -0.127 0.555 15.633 143 HA ALA 29 HA ALA 29 2.107 2.334 15.269 144 HB1 ALA 29 HB1 ALA 29 3.426 0.503 16.242 145 HB2 ALA 29 HB2 ALA 29 2.037 -0.571 16.112 146 HB3 ALA 29 HB3 ALA 29 1.980 0.806 17.209 147 H SER 30 H SER 30 3.946 1.842 13.884 148 HA SER 30 HA SER 30 3.162 1.046 11.311 149 HB2 SER 30 HB2 SER 30 5.024 2.622 11.696 150 HB3 SER 30 HB3 SER 30 5.964 1.322 12.434 151 HG SER 30 HG SER 30 6.559 1.573 10.238 152 H ALA 31 H ALA 31 5.030 -0.633 13.828 153 HA ALA 31 HA ALA 31 5.646 -2.791 14.145 154 HB1 ALA 31 HB1 ALA 31 3.080 -3.347 12.654 155 HB2 ALA 31 HB2 ALA 31 3.196 -2.965 14.367 156 HB3 ALA 31 HB3 ALA 31 3.912 -4.456 13.748 157 H GLN 32 H GLN 32 6.732 -1.547 11.801 158 HA GLN 32 HA GLN 32 6.336 -3.263 9.568 159 HB2 GLN 32 HB2 GLN 32 7.956 -1.844 8.381 160 HB3 GLN 32 HB3 GLN 32 6.676 -0.924 9.150 161 HG2 GLN 32 HG2 GLN 32 8.264 -0.386 10.997 162 HG3 GLN 32 HG3 GLN 32 9.522 -1.220 10.081 163 HE21 GLN 32 HE21 GLN 32 10.272 -0.300 8.154 164 HE22 GLN 32 HE22 GLN 32 10.020 1.354 7.764 165 H SER 33 H SER 33 6.936 -5.261 10.061 166 HA SER 33 HA SER 33 9.832 -5.735 10.285 167 HB2 SER 33 HB2 SER 33 7.545 -7.659 10.774 168 HB3 SER 33 HB3 SER 33 9.256 -7.970 11.065 169 HG SER 33 HG SER 33 9.135 -6.083 12.495 170 H ALA 34 H ALA 34 6.978 -6.056 8.333 171 HA ALA 34 HA ALA 34 8.592 -6.937 6.111 172 HB1 ALA 34 HB1 ALA 34 7.015 -8.708 5.503 173 HB2 ALA 34 HB2 ALA 34 6.103 -8.415 6.982 174 HB3 ALA 34 HB3 ALA 34 7.757 -9.031 7.071 175 H TRP 35 H TRP 35 7.668 -6.408 4.126 176 HA TRP 35 HA TRP 35 5.248 -4.742 4.186 177 HB2 TRP 35 HB2 TRP 35 7.832 -4.249 2.692 178 HB3 TRP 35 HB3 TRP 35 6.337 -3.359 2.415 179 HD1 TRP 35 HD TRP 35 9.243 -3.675 4.864 180 HE1 TRP 35 HE1 TRP 35 9.238 -1.665 6.439 181 HE3 TRP 35 HE3 TRP 35 4.759 -1.628 3.499 182 HZ2 TRP 35 HZ2 TRP 35 7.533 0.539 7.033 183 HZ3 TRP 35 HZ3 TRP 35 4.021 0.430 4.616 184 HH2 TRP 35 HH TRP 35 5.376 1.489 6.345 185 H ASP 36 H ASP 36 4.302 -4.616 1.949 186 HA ASP 36 HA ASP 36 4.391 -7.173 0.641 187 HB2 ASP 36 HB2 ASP 36 2.880 -4.611 0.044 188 HB3 ASP 36 HB3 ASP 36 2.768 -6.040 -0.969 189 H ILE 37 H ILE 37 6.020 -7.657 -0.615 190 HA ILE 37 HA ILE 37 7.667 -5.544 -1.698 191 HB ILE 37 HB ILE 37 9.191 -7.313 -2.467 192 HG12 ILE 37 HG12 ILE 37 7.223 -9.248 -1.208 193 HG13 ILE 37 HG11 ILE 37 7.433 -9.020 -2.933 194 HG21 ILE 37 HG21 ILE 37 8.284 -7.505 0.397 195 HG22 ILE 37 HG22 ILE 37 9.536 -6.446 -0.266 196 HG23 ILE 37 HG23 ILE 37 9.787 -8.190 -0.215 197 HD11 ILE 37 HD11 ILE 37 9.516 -10.027 -1.019 198 HD12 ILE 37 HD31 ILE 37 8.610 -10.993 -2.193 199 HD13 ILE 37 HD21 ILE 37 9.746 -9.757 -2.750 200 H VAL 38 H VAL 38 5.142 -7.421 -2.784 201 HA VAL 38 HA VAL 38 5.813 -6.908 -5.577 202 HB VAL 38 HB VAL 38 3.443 -8.412 -4.419 203 HG11 VAL 38 HG11 VAL 38 4.396 -8.187 -7.274 204 HG12 VAL 38 HG12 VAL 38 2.925 -7.489 -6.594 205 HG13 VAL 38 HG13 VAL 38 3.099 -9.237 -6.703 206 HG21 VAL 38 HG21 VAL 38 4.585 -10.450 -5.155 207 HG22 VAL 38 HG22 VAL 38 5.550 -9.557 -3.979 208 HG23 VAL 38 HG23 VAL 38 5.958 -9.481 -5.696 209 H VAL 39 H VAL 39 4.822 -5.260 -6.649 210 HA VAL 39 HA VAL 39 3.301 -3.516 -4.917 211 HB VAL 39 HB VAL 39 3.744 -1.739 -6.616 212 HG11 VAL 39 HG11 VAL 39 5.019 -2.006 -4.568 213 HG12 VAL 39 HG12 VAL 39 6.044 -1.445 -5.883 214 HG13 VAL 39 HG13 VAL 39 6.096 -3.140 -5.379 215 HG21 VAL 39 HG21 VAL 39 5.625 -3.817 -7.748 216 HG22 VAL 39 HG22 VAL 39 5.499 -2.131 -8.260 217 HG23 VAL 39 HG23 VAL 39 4.158 -3.240 -8.538 218 H ASP 40 H ASP 40 1.926 -5.735 -6.180 219 HA ASP 40 HA ASP 40 -0.033 -4.240 -7.721 220 HB2 ASP 40 HB2 ASP 40 -1.263 -6.190 -7.925 221 HB3 ASP 40 HB3 ASP 40 0.423 -6.615 -8.286 222 H ASN 41 H ASN 41 0.846 -4.632 -4.615 223 HA ASN 41 HA ASN 41 -1.730 -3.552 -3.759 224 HB2 ASN 41 HB2 ASN 41 0.156 -5.330 -2.190 225 HB3 ASN 41 HB3 ASN 41 -1.115 -4.375 -1.439 226 HD21 ASN 41 HD21 ASN 41 -0.731 -7.241 -1.447 227 HD22 ASN 41 HD22 ASN 41 -2.148 -7.924 -2.150 228 H CYS 42 H CYS 42 -1.608 -1.729 -2.599 229 HA CYS 42 HA CYS 42 0.841 -0.205 -2.594 230 HB2 CYS 42 HB2 CYS 42 -1.644 0.647 -2.661 231 HB3 CYS 42 HB3 CYS 42 -1.629 0.293 -0.974 232 H ALA 43 H ALA 43 2.351 -0.612 -1.066 233 HA ALA 43 HA ALA 43 1.706 -2.378 1.162 234 HB1 ALA 43 HB1 ALA 43 4.085 -2.345 1.641 235 HB2 ALA 43 HB2 ALA 43 4.323 -1.007 0.522 236 HB3 ALA 43 HB3 ALA 43 3.835 -2.587 -0.088 237 H ILE 44 H ILE 44 1.741 0.931 0.615 238 HA ILE 44 HA ILE 44 2.675 1.805 3.150 239 HB ILE 44 HB ILE 44 1.070 3.264 1.041 240 HG12 ILE 44 HG12 ILE 44 4.058 2.982 1.502 241 HG13 ILE 44 HG11 ILE 44 3.112 2.300 0.236 242 HG21 ILE 44 HG21 ILE 44 2.750 4.309 3.351 243 HG22 ILE 44 HG22 ILE 44 0.982 4.377 3.225 244 HG23 ILE 44 HG23 ILE 44 1.977 5.291 2.094 245 HD11 ILE 44 HD11 ILE 44 3.417 5.252 0.618 246 HD12 ILE 44 HD31 ILE 44 4.338 4.270 -0.519 247 HD13 ILE 44 HD21 ILE 44 2.590 4.430 -0.707 248 H CYS 45 H CYS 45 -0.532 1.448 1.704 249 HA CYS 45 HA CYS 45 -1.776 1.792 4.345 250 HB2 CYS 45 HB2 CYS 45 -3.883 1.874 3.009 251 HB3 CYS 45 HB3 CYS 45 -2.741 3.151 2.584 252 H ARG 46 H ARG 46 -0.789 -0.477 2.039 253 HA ARG 46 HA ARG 46 -0.876 -2.621 1.790 254 HB2 ARG 46 HB2 ARG 46 -0.387 -2.693 4.162 255 HB3 ARG 46 HB3 ARG 46 -2.090 -2.645 4.563 256 HG2 ARG 46 HG2 ARG 46 -2.414 -4.864 3.703 257 HG3 ARG 46 HG3 ARG 46 -0.774 -4.897 3.043 258 HD2 ARG 46 HD2 ARG 46 -0.850 -6.132 5.124 259 HD3 ARG 46 HD3 ARG 46 0.136 -4.673 5.253 260 HE ARG 46 HE ARG 46 -2.522 -4.163 6.112 261 HH11 ARG 46 HH11 ARG 46 0.481 -5.711 7.213 262 HH12 ARG 46 HH12 ARG 46 0.172 -5.435 8.856 263 HH21 ARG 46 HH21 ARG 46 -2.930 -3.795 8.323 264 HH22 ARG 46 HH22 ARG 46 -1.823 -4.292 9.532 265 H ASN 47 H ASN 47 -2.906 -0.880 0.880 266 HA ASN 47 HA ASN 47 -5.182 -2.700 0.566 267 HB2 ASN 47 HB2 ASN 47 -5.759 -0.434 1.191 268 HB3 ASN 47 HB3 ASN 47 -4.816 0.240 -0.138 269 HD21 ASN 47 HD21 ASN 47 -7.710 -1.407 0.828 270 HD22 ASN 47 HD22 ASN 47 -8.577 -1.171 -0.645 271 H HIS 48 H HIS 48 -5.989 -2.857 -1.723 272 HA HIS 48 HA HIS 48 -3.932 -3.971 -3.333 273 HB2 HIS 48 HB2 HIS 48 -6.463 -4.529 -3.229 274 HB3 HIS 48 HB3 HIS 48 -6.657 -3.248 -4.408 275 HD2 HIS 48 HD2 HIS 48 -4.902 -3.797 -6.745 276 HE1 HIS 48 HE1 HIS 48 -5.514 -7.972 -6.308 277 HE2 HIS 48 HE2 HIS 48 -4.454 -6.192 -7.697 278 H ILE 49 H ILE 49 -3.361 -3.313 -5.601 279 HA ILE 49 HA ILE 49 -2.302 -0.747 -5.577 280 HB ILE 49 HB ILE 49 -1.270 -2.531 -6.888 281 HG12 ILE 49 HG12 ILE 49 -0.759 -1.159 -8.982 282 HG13 ILE 49 HG11 ILE 49 -2.075 -0.128 -8.493 283 HG21 ILE 49 HG21 ILE 49 -3.608 -2.257 -8.772 284 HG22 ILE 49 HG22 ILE 49 -3.184 -3.679 -7.810 285 HG23 ILE 49 HG23 ILE 49 -2.133 -3.153 -9.116 286 HD11 ILE 49 HD11 ILE 49 0.282 -0.674 -6.775 287 HD12 ILE 49 HD31 ILE 49 0.122 0.737 -7.850 288 HD13 ILE 49 HD21 ILE 49 -1.043 0.517 -6.542 289 H MET 50 H MET 50 -5.162 -1.866 -7.372 290 HA MET 50 HA MET 50 -5.539 0.918 -7.776 291 HB2 MET 50 HB2 MET 50 -6.705 0.506 -9.968 292 HB3 MET 50 HB3 MET 50 -5.005 0.092 -9.948 293 HG2 MET 50 HG2 MET 50 -5.647 -2.289 -9.672 294 HG3 MET 50 HG3 MET 50 -7.333 -1.795 -9.809 295 HE1 MET 50 HE1 MET 50 -7.165 0.530 -12.017 296 HE2 MET 50 HE2 MET 50 -8.402 -0.731 -11.989 297 HE3 MET 50 HE3 MET 50 -7.500 -0.413 -13.471 298 H ASP 51 H ASP 51 -6.793 1.086 -6.013 299 HA ASP 51 HA ASP 51 -9.568 0.603 -6.282 300 HB2 ASP 51 HB2 ASP 51 -8.743 -1.660 -5.466 301 HB3 ASP 51 HB3 ASP 51 -8.149 -0.867 -4.022 302 H LEU 52 H LEU 52 -10.576 1.298 -4.131 303 HA LEU 52 HA LEU 52 -9.609 3.858 -3.359 304 HB2 LEU 52 HB2 LEU 52 -11.728 2.024 -2.320 305 HB3 LEU 52 HB3 LEU 52 -11.457 3.628 -1.657 306 HG LEU 52 HG LEU 52 -12.096 3.151 -4.569 307 HD11 LEU 52 HD11 LEU 52 -13.892 2.451 -2.760 308 HD12 LEU 52 HD12 LEU 52 -14.319 3.377 -4.184 309 HD13 LEU 52 HD13 LEU 52 -14.143 4.208 -2.654 310 HD21 LEU 52 HD21 LEU 52 -12.103 5.527 -2.751 311 HD22 LEU 52 HD22 LEU 52 -12.760 5.544 -4.388 312 HD23 LEU 52 HD23 LEU 52 -11.023 5.258 -4.124 313 H CYS 53 H CYS 53 -8.370 4.365 -1.576 314 HA CYS 53 HA CYS 53 -6.848 2.363 -0.211 315 HB2 CYS 53 HB2 CYS 53 -7.202 5.216 0.700 316 HB3 CYS 53 HB3 CYS 53 -5.810 4.165 0.904 317 H ILE 54 H ILE 54 -6.699 3.020 2.308 318 HA ILE 54 HA ILE 54 -8.439 1.668 3.838 319 HB ILE 54 HB ILE 54 -7.862 3.432 5.664 320 HG12 ILE 54 HG12 ILE 54 -6.000 4.261 3.416 321 HG13 ILE 54 HG11 ILE 54 -7.226 5.259 4.091 322 HG21 ILE 54 HG21 ILE 54 -6.884 1.250 5.523 323 HG22 ILE 54 HG22 ILE 54 -5.670 2.480 5.909 324 HG23 ILE 54 HG23 ILE 54 -5.757 1.808 4.267 325 HD11 ILE 54 HD11 ILE 54 -5.120 5.913 4.952 326 HD12 ILE 54 HD31 ILE 54 -6.098 5.223 6.252 327 HD13 ILE 54 HD21 ILE 54 -4.792 4.269 5.518 328 H GLU 55 H GLU 55 -8.706 5.077 4.467 329 HA GLU 55 HA GLU 55 -11.484 4.938 5.092 330 HB2 GLU 55 HB2 GLU 55 -9.716 7.313 4.607 331 HB3 GLU 55 HB3 GLU 55 -11.240 7.330 5.451 332 HG2 GLU 55 HG2 GLU 55 -10.184 5.734 7.173 333 HG3 GLU 55 HG3 GLU 55 -8.723 5.982 6.308 334 H CYS 56 H CYS 56 -9.677 5.480 2.267 335 HA CYS 56 HA CYS 56 -11.213 7.400 0.985 336 HB2 CYS 56 HB2 CYS 56 -9.532 5.215 -0.192 337 HB3 CYS 56 HB3 CYS 56 -10.152 6.589 -1.084 338 H GLN 57 H GLN 57 -11.600 3.869 0.965 339 HA GLN 57 HA GLN 57 -13.633 3.901 -0.909 340 HB2 GLN 57 HB2 GLN 57 -14.363 1.678 0.170 341 HB3 GLN 57 HB3 GLN 57 -12.787 1.826 -0.599 342 HG2 GLN 57 HG2 GLN 57 -12.304 0.648 1.274 343 HG3 GLN 57 HG3 GLN 57 -11.926 2.285 1.757 344 HE21 GLN 57 HE21 GLN 57 -14.219 -0.307 2.068 345 HE22 GLN 57 HE22 GLN 57 -14.957 0.235 3.542 346 H ALA 58 H ALA 58 -13.902 4.260 2.536 347 HA ALA 58 HA ALA 58 -16.748 4.612 2.515 348 HB1 ALA 58 HB1 ALA 58 -16.479 5.472 4.796 349 HB2 ALA 58 HB2 ALA 58 -14.738 5.574 4.567 350 HB3 ALA 58 HB3 ALA 58 -15.535 4.001 4.572 351 H ASN 59 H ASN 59 -13.999 6.706 2.300 352 HA ASN 59 HA ASN 59 -15.142 9.255 2.529 353 HB2 ASN 59 HB2 ASN 59 -12.666 8.389 2.483 354 HB3 ASN 59 HB3 ASN 59 -12.846 8.605 0.753 355 HD21 ASN 59 HD21 ASN 59 -12.610 10.145 3.813 356 HD22 ASN 59 HD22 ASN 59 -12.352 11.735 3.227 357 H GLN 60 H GLN 60 -14.673 7.097 -0.173 358 HA GLN 60 HA GLN 60 -14.961 7.120 -2.350 359 HB2 GLN 60 HB2 GLN 60 -17.369 7.627 -1.849 360 HB3 GLN 60 HB3 GLN 60 -16.993 9.344 -1.976 361 HG2 GLN 60 HG2 GLN 60 -16.328 9.040 -4.306 362 HG3 GLN 60 HG3 GLN 60 -16.657 7.318 -4.182 363 HE21 GLN 60 HE21 GLN 60 -18.188 7.284 -5.774 364 HE22 GLN 60 HE22 GLN 60 -19.724 8.050 -5.635 365 H ALA 61 H ALA 61 -13.178 7.659 -3.249 366 HA ALA 61 HA ALA 61 -11.816 10.045 -2.714 367 HB1 ALA 61 HB1 ALA 61 -10.172 9.236 -4.341 368 HB2 ALA 61 HB2 ALA 61 -11.292 7.966 -4.844 369 HB3 ALA 61 HB3 ALA 61 -10.661 7.997 -3.195 370 H SER 62 H SER 62 -11.352 11.783 -3.937 371 HA SER 62 HA SER 62 -13.494 12.875 -5.352 372 HB2 SER 62 HB2 SER 62 -10.642 13.841 -5.265 373 HB3 SER 62 HB3 SER 62 -12.057 14.804 -5.683 374 HG SER 62 HG SER 62 -12.434 13.574 -3.289 375 H ALA 63 H ALA 63 -10.422 11.486 -6.551 376 HA ALA 63 HA ALA 63 -11.000 12.388 -9.225 377 HB1 ALA 63 HB1 ALA 63 -8.880 11.375 -9.840 378 HB2 ALA 63 HB2 ALA 63 -8.753 10.638 -8.240 379 HB3 ALA 63 HB3 ALA 63 -8.688 12.394 -8.416 380 H THR 64 H THR 64 -10.120 9.096 -8.104 381 HA THR 64 HA THR 64 -12.214 8.021 -9.862 382 HB THR 64 HB THR 64 -9.386 6.949 -9.661 383 HG1 THR 64 HG3 THR 64 -10.440 8.982 -11.074 384 HG21 THR 64 HG21 THR 64 -11.642 6.363 -11.586 385 HG22 THR 64 HG22 THR 64 -11.124 5.307 -10.272 386 HG23 THR 64 HG23 THR 64 -10.038 5.637 -11.624 387 H SER 65 H SER 65 -13.261 6.235 -9.030 388 HA SER 65 HA SER 65 -12.459 5.438 -6.312 389 HB2 SER 65 HB2 SER 65 -14.989 4.805 -7.832 390 HB3 SER 65 HB3 SER 65 -14.665 4.414 -6.144 391 HG SER 65 HG SER 65 -14.599 7.084 -7.120 392 H GLU 66 H GLU 66 -12.489 4.275 -9.528 393 HA GLU 66 HA GLU 66 -12.234 1.502 -9.034 394 HB2 GLU 66 HB2 GLU 66 -12.568 2.656 -11.292 395 HB3 GLU 66 HB3 GLU 66 -10.894 3.116 -11.190 396 HG2 GLU 66 HG2 GLU 66 -11.079 1.166 -12.583 397 HG3 GLU 66 HG3 GLU 66 -10.188 0.782 -11.107 398 H GLU 67 H GLU 67 -10.022 4.203 -9.134 399 HA GLU 67 HA GLU 67 -8.140 2.832 -7.468 400 HB2 GLU 67 HB2 GLU 67 -6.285 3.790 -8.905 401 HB3 GLU 67 HB3 GLU 67 -7.154 2.452 -9.643 402 HG2 GLU 67 HG2 GLU 67 -8.452 4.054 -10.991 403 HG3 GLU 67 HG3 GLU 67 -7.590 5.369 -10.221 404 H CYS 68 H CYS 68 -8.145 4.166 -5.795 405 HA CYS 68 HA CYS 68 -9.185 6.686 -5.510 406 HB2 CYS 68 HB2 CYS 68 -8.427 5.462 -3.576 407 HB3 CYS 68 HB3 CYS 68 -6.766 5.507 -4.103 408 H THR 69 H THR 69 -5.672 6.427 -5.482 409 HA THR 69 HA THR 69 -5.346 7.925 -7.902 410 HB THR 69 HB THR 69 -3.610 9.361 -6.808 411 HG1 THR 69 HG3 THR 69 -4.868 9.222 -4.393 412 HG21 THR 69 HG21 THR 69 -6.446 9.804 -5.883 413 HG22 THR 69 HG22 THR 69 -5.688 10.436 -7.345 414 HG23 THR 69 HG23 THR 69 -5.167 11.008 -5.761 415 H VAL 70 H VAL 70 -3.323 7.288 -8.833 416 HA VAL 70 HA VAL 70 -1.631 5.578 -7.181 417 HB VAL 70 HB VAL 70 -3.299 4.024 -8.132 418 HG11 VAL 70 HG11 VAL 70 -2.177 4.853 -10.781 419 HG12 VAL 70 HG12 VAL 70 -3.813 5.149 -10.180 420 HG13 VAL 70 HG13 VAL 70 -3.279 3.493 -10.520 421 HG21 VAL 70 HG21 VAL 70 -1.059 3.231 -7.606 422 HG22 VAL 70 HG22 VAL 70 -0.533 3.619 -9.248 423 HG23 VAL 70 HG23 VAL 70 -1.732 2.361 -8.984 424 H ALA 71 H ALA 71 0.485 5.495 -7.720 425 HA ALA 71 HA ALA 71 1.244 6.855 -10.188 426 HB1 ALA 71 HB1 ALA 71 2.958 8.105 -9.008 427 HB2 ALA 71 HB2 ALA 71 2.436 7.402 -7.468 428 HB3 ALA 71 HB3 ALA 71 1.360 8.479 -8.361 429 H TRP 72 H TRP 72 3.016 6.069 -11.170 430 HA TRP 72 HA TRP 72 3.943 3.519 -10.143 431 HB2 TRP 72 HB2 TRP 72 4.568 4.785 -12.757 432 HB3 TRP 72 HB3 TRP 72 4.684 3.106 -12.347 433 HD1 TRP 72 HD TRP 72 2.626 5.048 -14.494 434 HE1 TRP 72 HE1 TRP 72 0.254 4.161 -14.771 435 HE3 TRP 72 HE3 TRP 72 2.496 1.996 -10.479 436 HZ2 TRP 72 HZ2 TRP 72 -1.501 2.332 -13.414 437 HZ3 TRP 72 HZ3 TRP 72 0.395 0.683 -10.021 438 HH2 TRP 72 HH TRP 72 -1.522 0.883 -11.476 439 H GLY 73 H GLY 73 6.101 3.168 -9.771 440 HA2 GLY 73 HA2 GLY 73 7.716 5.575 -9.488 441 HA3 GLY 73 HA3 GLY 73 7.931 4.043 -8.638 442 H VAL 74 H VAL 74 9.579 5.828 -10.534 443 HA VAL 74 HA VAL 74 10.176 4.308 -12.835 444 HB VAL 74 HB VAL 74 12.057 6.122 -11.268 445 HG11 VAL 74 HG11 VAL 74 13.278 4.734 -12.838 446 HG12 VAL 74 HG12 VAL 74 13.258 6.414 -13.385 447 HG13 VAL 74 HG13 VAL 74 12.193 5.228 -14.141 448 HG21 VAL 74 HG21 VAL 74 10.061 7.339 -11.889 449 HG22 VAL 74 HG22 VAL 74 10.202 6.758 -13.541 450 HG23 VAL 74 HG23 VAL 74 11.413 7.873 -12.898 451 H CYS 75 H CYS 75 10.891 4.024 -9.560 452 HA CYS 75 HA CYS 75 13.204 2.350 -9.648 453 HB2 CYS 75 HB2 CYS 75 12.540 3.944 -7.815 454 HB3 CYS 75 HB3 CYS 75 11.265 2.812 -7.386 455 H ASN 76 H ASN 76 10.561 1.538 -11.040 456 HA ASN 76 HA ASN 76 9.533 -0.402 -11.608 457 HB2 ASN 76 HB2 ASN 76 11.877 -1.255 -11.554 458 HB3 ASN 76 HB3 ASN 76 11.651 -1.709 -9.876 459 HD21 ASN 76 HD21 ASN 76 9.181 -2.123 -12.388 460 HD22 ASN 76 HD22 ASN 76 9.249 -3.839 -12.398 461 H HIS 77 H HIS 77 8.494 1.086 -9.653 462 HA HIS 77 HA HIS 77 7.305 -0.911 -7.923 463 HB2 HIS 77 HB2 HIS 77 8.712 1.546 -7.047 464 HB3 HIS 77 HB3 HIS 77 7.261 1.055 -6.161 465 HD2 HIS 77 HD2 HIS 77 7.865 -2.189 -6.268 466 HE1 HIS 77 HE1 HIS 77 11.276 -1.152 -4.056 467 HE2 HIS 77 HE2 HIS 77 9.965 -2.977 -5.162 468 H ALA 78 H ALA 78 5.228 -0.173 -6.917 469 HA ALA 78 HA ALA 78 3.942 2.004 -8.302 470 HB1 ALA 78 HB1 ALA 78 2.054 0.566 -8.897 471 HB2 ALA 78 HB2 ALA 78 2.937 -0.847 -8.321 472 HB3 ALA 78 HB3 ALA 78 3.530 0.060 -9.714 473 H PHE 79 H PHE 79 2.709 3.087 -6.865 474 HA PHE 79 HA PHE 79 1.553 1.689 -4.587 475 HB2 PHE 79 HB2 PHE 79 3.253 4.164 -4.361 476 HB3 PHE 79 HB3 PHE 79 2.282 3.511 -3.045 477 HD1 PHE 79 HD2 PHE 79 3.031 1.324 -1.988 478 HD2 PHE 79 HD3 PHE 79 5.335 3.297 -4.963 479 HE1 PHE 79 HE2 PHE 79 5.041 -0.050 -1.384 480 HE2 PHE 79 HE1 PHE 79 7.287 1.947 -4.364 481 HZ PHE 79 HZ PHE 79 7.133 0.288 -2.582 482 H HIS 80 H HIS 80 -0.034 3.260 -3.449 483 HA HIS 80 HA HIS 80 -1.587 4.617 -5.406 484 HB2 HIS 80 HB2 HIS 80 -1.597 4.448 -2.420 485 HB3 HIS 80 HB3 HIS 80 -2.598 5.620 -3.232 486 HD2 HIS 80 HD2 HIS 80 -3.877 3.576 -5.543 487 HE1 HIS 80 HE1 HIS 80 -5.218 1.402 -2.176 488 HE2 HIS 80 HE2 HIS 80 -5.781 2.229 -4.389 489 H PHE 81 H PHE 81 -1.520 6.765 -5.900 490 HA PHE 81 HA PHE 81 0.787 8.259 -5.348 491 HB2 PHE 81 HB2 PHE 81 -0.636 8.753 -7.291 492 HB3 PHE 81 HB3 PHE 81 -1.931 9.199 -6.190 493 HD1 PHE 81 HD3 PHE 81 1.528 10.170 -7.180 494 HD2 PHE 81 HD2 PHE 81 -2.183 11.402 -5.495 495 HE1 PHE 81 HE1 PHE 81 2.306 12.500 -7.178 496 HE2 PHE 81 HE2 PHE 81 -1.414 13.735 -5.490 497 HZ PHE 81 HZ PHE 81 0.832 14.291 -6.331 498 H HIS 82 H HIS 82 -2.367 8.218 -3.923 499 HA HIS 82 HA HIS 82 -2.150 10.327 -2.101 500 HB2 HIS 82 HB2 HIS 82 -4.243 9.178 -2.609 501 HB3 HIS 82 HB3 HIS 82 -3.636 7.705 -1.882 502 HD2 HIS 82 HD2 HIS 82 -2.935 10.728 0.329 503 HE1 HIS 82 HE1 HIS 82 -6.521 8.962 1.755 504 HE2 HIS 82 HE2 HIS 82 -4.782 10.705 2.180 505 H CYS 83 H CYS 83 -1.391 6.845 -1.625 506 HA CYS 83 HA CYS 83 -0.607 7.192 1.039 507 HB2 CYS 83 HB2 CYS 83 -0.001 4.893 -0.838 508 HB3 CYS 83 HB3 CYS 83 0.026 4.935 0.916 509 H ILE 84 H ILE 84 1.131 6.835 -2.041 510 HA ILE 84 HA ILE 84 3.667 6.813 -0.829 511 HB ILE 84 HB ILE 84 3.238 6.011 -3.199 512 HG12 ILE 84 HG12 ILE 84 5.388 6.952 -4.126 513 HG13 ILE 84 HG11 ILE 84 5.439 7.992 -2.719 514 HG21 ILE 84 HG21 ILE 84 1.914 7.902 -3.894 515 HG22 ILE 84 HG22 ILE 84 3.232 7.562 -5.027 516 HG23 ILE 84 HG23 ILE 84 3.346 8.938 -3.905 517 HD11 ILE 84 HD11 ILE 84 5.454 4.986 -2.634 518 HD12 ILE 84 HD31 ILE 84 6.864 6.025 -2.459 519 HD13 ILE 84 HD21 ILE 84 5.581 6.067 -1.243 520 H SER 85 H SER 85 1.649 9.428 -1.979 521 HA SER 85 HA SER 85 3.507 11.539 -1.837 522 HB2 SER 85 HB2 SER 85 1.245 11.693 -2.806 523 HB3 SER 85 HB3 SER 85 0.560 11.587 -1.210 524 HG SER 85 HG SER 85 2.449 13.611 -1.803 525 H ARG 86 H ARG 86 1.293 10.257 0.571 526 HA ARG 86 HA ARG 86 2.046 11.986 2.711 527 HB2 ARG 86 HB2 ARG 86 0.949 9.171 2.845 528 HB3 ARG 86 HB3 ARG 86 1.004 10.303 4.191 529 HG2 ARG 86 HG2 ARG 86 -0.582 10.624 1.650 530 HG3 ARG 86 HG3 ARG 86 -1.209 10.136 3.220 531 HD2 ARG 86 HD2 ARG 86 0.143 12.783 2.665 532 HD3 ARG 86 HD3 ARG 86 -1.595 12.532 2.643 533 HE ARG 86 HE ARG 86 -0.608 11.614 5.082 534 HH11 ARG 86 HH11 ARG 86 -0.958 14.706 3.315 535 HH12 ARG 86 HH12 ARG 86 -1.151 15.619 4.733 536 HH21 ARG 86 HH21 ARG 86 -0.858 12.975 7.046 537 HH22 ARG 86 HH22 ARG 86 -1.115 14.653 6.820 538 H TRP 87 H TRP 87 3.172 8.871 1.631 539 HA TRP 87 HA TRP 87 5.089 8.283 3.656 540 HB2 TRP 87 HB2 TRP 87 4.330 6.603 2.082 541 HB3 TRP 87 HB3 TRP 87 4.902 7.558 0.729 542 HD1 TRP 87 HD TRP 87 7.305 7.074 -0.088 543 HE1 TRP 87 HE1 TRP 87 9.222 5.673 0.792 544 HE3 TRP 87 HE3 TRP 87 5.357 5.860 4.456 545 HZ2 TRP 87 HZ2 TRP 87 9.863 4.204 3.154 546 HZ3 TRP 87 HZ3 TRP 87 6.692 4.444 5.999 547 HH2 TRP 87 HH TRP 87 8.910 3.640 5.344 548 H LEU 88 H LEU 88 5.350 9.922 0.578 549 HA LEU 88 HA LEU 88 8.108 10.417 0.762 550 HB2 LEU 88 HB2 LEU 88 5.959 11.581 -0.947 551 HB3 LEU 88 HB3 LEU 88 7.665 11.954 -1.155 552 HG LEU 88 HG LEU 88 6.534 9.176 -1.278 553 HD11 LEU 88 HD11 LEU 88 7.169 11.077 -3.528 554 HD12 LEU 88 HD12 LEU 88 5.579 10.442 -3.029 555 HD13 LEU 88 HD13 LEU 88 6.800 9.346 -3.665 556 HD21 LEU 88 HD21 LEU 88 8.905 9.241 -0.711 557 HD22 LEU 88 HD22 LEU 88 9.235 10.290 -2.084 558 HD23 LEU 88 HD23 LEU 88 8.689 8.646 -2.345 559 H LYS 89 H LYS 89 5.386 12.125 1.945 560 HA LYS 89 HA LYS 89 6.608 14.611 2.448 561 HB2 LYS 89 HB2 LYS 89 4.545 13.141 4.099 562 HB3 LYS 89 HB3 LYS 89 4.993 14.816 4.320 563 HG2 LYS 89 HG2 LYS 89 3.725 13.668 1.837 564 HG3 LYS 89 HG3 LYS 89 2.909 14.528 3.139 565 HD2 LYS 89 HD2 LYS 89 4.216 16.529 2.664 566 HD3 LYS 89 HD3 LYS 89 5.067 15.668 1.376 567 HE2 LYS 89 HE2 LYS 89 2.995 15.358 0.162 568 HE3 LYS 89 HE1 LYS 89 2.098 16.118 1.478 569 HZ1 LYS 89 HZ1 LYS 89 4.185 17.537 -0.121 570 HZ2 LYS 89 HZ2 LYS 89 3.137 18.191 1.025 571 HZ3 LYS 89 HZ3 LYS 89 2.519 17.580 -0.427 572 H THR 90 H THR 90 6.442 11.560 4.202 573 HA THR 90 HA THR 90 8.180 12.558 6.277 574 HB THR 90 HB THR 90 7.864 10.332 7.351 575 HG1 THR 90 HG3 THR 90 7.046 9.651 4.869 576 HG21 THR 90 HG21 THR 90 5.371 11.723 6.411 577 HG22 THR 90 HG22 THR 90 6.322 12.171 7.832 578 HG23 THR 90 HG23 THR 90 5.451 10.631 7.790 579 H ARG 91 H ARG 91 8.574 10.594 3.382 580 HA ARG 91 HA ARG 91 11.327 9.985 4.172 581 HB2 ARG 91 HB2 ARG 91 9.342 8.012 3.037 582 HB3 ARG 91 HB3 ARG 91 11.052 7.708 3.249 583 HG2 ARG 91 HG2 ARG 91 9.102 8.333 5.458 584 HG3 ARG 91 HG3 ARG 91 9.654 6.734 5.025 585 HD2 ARG 91 HD2 ARG 91 11.936 7.232 5.569 586 HD3 ARG 91 HD3 ARG 91 11.566 8.932 5.834 587 HE ARG 91 HE ARG 91 9.996 7.387 7.541 588 HH11 ARG 91 HH11 ARG 91 13.388 8.290 7.089 589 HH12 ARG 91 HH12 ARG 91 13.827 8.165 8.725 590 HH21 ARG 91 HH21 ARG 91 10.562 7.247 9.847 591 HH22 ARG 91 HH22 ARG 91 12.169 7.557 10.329 592 H GLN 92 H GLN 92 12.751 9.617 2.496 593 HA GLN 92 HA GLN 92 12.070 10.961 -0.027 594 HB2 GLN 92 HB2 GLN 92 14.649 10.049 1.192 595 HB3 GLN 92 HB3 GLN 92 14.553 10.758 -0.403 596 HG2 GLN 92 HG2 GLN 92 13.705 12.828 0.579 597 HG3 GLN 92 HG3 GLN 92 13.756 12.098 2.183 598 HE21 GLN 92 HE21 GLN 92 15.569 13.442 -0.395 599 HE22 GLN 92 HE22 GLN 92 17.096 13.546 0.383 600 H VAL 93 H VAL 93 12.193 7.830 1.151 601 HA VAL 93 HA VAL 93 13.222 6.713 -1.380 602 HB VAL 93 HB VAL 93 14.285 4.904 -0.030 603 HG11 VAL 93 HG11 VAL 93 15.175 7.707 0.639 604 HG12 VAL 93 HG12 VAL 93 15.615 6.794 -0.812 605 HG13 VAL 93 HG13 VAL 93 16.164 6.250 0.779 606 HG21 VAL 93 HG21 VAL 93 12.896 5.102 1.985 607 HG22 VAL 93 HG22 VAL 93 13.584 6.704 2.273 608 HG23 VAL 93 HG23 VAL 93 14.613 5.276 2.380 609 H CYS 94 H CYS 94 12.585 4.538 -1.851 610 HA CYS 94 HA CYS 94 9.921 3.913 -1.664 611 HB2 CYS 94 HB2 CYS 94 12.296 2.123 -1.893 612 HB3 CYS 94 HB3 CYS 94 10.656 1.563 -2.172 613 HA PRO 95 HA PRO 95 9.410 2.339 2.578 614 HB2 PRO 95 HB2 PRO 95 7.394 0.625 1.288 615 HB3 PRO 95 HB3 PRO 95 7.197 1.762 2.625 616 HG2 PRO 95 HG2 PRO 95 6.236 2.288 0.183 617 HG3 PRO 95 HG3 PRO 95 6.924 3.588 1.203 618 HD2 PRO 95 HD2 PRO 95 8.077 2.141 -1.140 619 HD3 PRO 95 HD3 PRO 95 8.222 3.849 -0.686 620 H LEU 96 H LEU 96 9.624 0.485 -0.288 621 HA LEU 96 HA LEU 96 10.066 -2.063 1.077 622 HB2 LEU 96 HB2 LEU 96 10.071 -1.502 -1.891 623 HB3 LEU 96 HB3 LEU 96 9.879 -3.043 -1.099 624 HG LEU 96 HG LEU 96 7.889 -0.806 -1.126 625 HD11 LEU 96 HD11 LEU 96 6.541 -2.312 -2.458 626 HD12 LEU 96 HD12 LEU 96 7.831 -3.513 -2.412 627 HD13 LEU 96 HD13 LEU 96 8.090 -1.975 -3.235 628 HD21 LEU 96 HD21 LEU 96 7.803 -2.011 1.000 629 HD22 LEU 96 HD22 LEU 96 7.700 -3.541 0.119 630 HD23 LEU 96 HD23 LEU 96 6.394 -2.370 0.002 631 H ASP 97 H ASP 97 11.515 -0.083 -1.416 632 HA ASP 97 HA ASP 97 13.922 -1.638 -1.587 633 HB2 ASP 97 HB2 ASP 97 12.961 0.809 -2.981 634 HB3 ASP 97 HB3 ASP 97 14.672 0.451 -3.009 635 H ASN 98 H ASN 98 13.038 1.259 0.117 636 HA ASN 98 HA ASN 98 14.183 2.879 1.165 637 HB2 ASN 98 HB2 ASN 98 16.071 0.580 1.595 638 HB3 ASN 98 HB3 ASN 98 16.415 2.170 2.267 639 HD21 ASN 98 HD21 ASN 98 16.281 1.473 4.369 640 HD22 ASN 98 HD22 ASN 98 14.800 1.029 5.138 641 H ARG 99 H ARG 99 14.418 2.619 -1.611 642 HA ARG 99 HA ARG 99 17.017 3.912 -2.191 643 HB2 ARG 99 HB2 ARG 99 15.066 2.538 -4.057 644 HB3 ARG 99 HB3 ARG 99 16.610 3.235 -4.513 645 HG2 ARG 99 HG2 ARG 99 16.325 1.072 -2.532 646 HG3 ARG 99 HG3 ARG 99 16.566 0.727 -4.278 647 HD2 ARG 99 HD2 ARG 99 18.700 1.905 -4.114 648 HD3 ARG 99 HD3 ARG 99 18.373 2.273 -2.416 649 HE ARG 99 HE ARG 99 18.499 -0.517 -3.306 650 HH11 ARG 99 HH11 ARG 99 19.880 2.125 -1.415 651 HH12 ARG 99 HH12 ARG 99 20.867 1.089 -0.463 652 HH21 ARG 99 HH21 ARG 99 19.860 -1.899 -2.014 653 HH22 ARG 99 HH22 ARG 99 20.883 -1.203 -0.841 654 H GLU 100 H GLU 100 16.777 5.767 -3.603 655 HA GLU 100 HA GLU 100 14.673 7.393 -2.622 656 HB2 GLU 100 HB2 GLU 100 16.803 8.401 -3.299 657 HB3 GLU 100 HB3 GLU 100 16.474 7.973 -4.974 658 HG2 GLU 100 HG2 GLU 100 14.564 9.455 -5.025 659 HG3 GLU 100 HG3 GLU 100 14.774 9.819 -3.316 660 H TRP 101 H TRP 101 12.654 7.635 -3.177 661 HA TRP 101 HA TRP 101 11.616 6.091 -5.293 662 HB2 TRP 101 HB2 TRP 101 10.172 6.254 -3.423 663 HB3 TRP 101 HB3 TRP 101 10.408 7.970 -3.258 664 HD1 TRP 101 HD TRP 101 8.950 9.553 -4.816 665 HE1 TRP 101 HE1 TRP 101 6.836 9.147 -6.215 666 HE3 TRP 101 HE3 TRP 101 9.009 4.518 -4.801 667 HZ2 TRP 101 HZ2 TRP 101 5.376 6.965 -7.191 668 HZ3 TRP 101 HZ3 TRP 101 7.195 3.294 -6.016 669 HH2 TRP 101 HH TRP 101 5.420 4.538 -7.176 670 H GLU 102 H GLU 102 10.969 6.752 -7.287 671 HA GLU 102 HA GLU 102 10.926 9.615 -7.889 672 HB2 GLU 102 HB2 GLU 102 12.250 7.455 -9.548 673 HB3 GLU 102 HB3 GLU 102 12.002 9.114 -10.084 674 HG2 GLU 102 HG2 GLU 102 13.421 9.910 -8.259 675 HG3 GLU 102 HG3 GLU 102 13.662 8.255 -7.727 676 H PHE 103 H PHE 103 9.307 10.197 -9.346 677 HA PHE 103 HA PHE 103 7.208 8.204 -9.649 678 HB2 PHE 103 HB2 PHE 103 7.307 11.162 -10.237 679 HB3 PHE 103 HB3 PHE 103 5.933 10.156 -10.618 680 HD1 PHE 103 HD2 PHE 103 4.719 9.062 -8.738 681 HD2 PHE 103 HD3 PHE 103 7.631 12.058 -8.168 682 HE1 PHE 103 HE2 PHE 103 3.781 9.511 -6.496 683 HE2 PHE 103 HE1 PHE 103 6.720 12.544 -5.911 684 HZ PHE 103 HZ PHE 103 4.787 11.260 -5.084 685 H GLN 104 H GLN 104 7.114 7.004 -11.402 686 HA GLN 104 HA GLN 104 8.426 7.710 -13.866 687 HB2 GLN 104 HB2 GLN 104 8.061 5.342 -13.073 688 HB3 GLN 104 HB3 GLN 104 6.349 5.582 -13.353 689 HG2 GLN 104 HG2 GLN 104 7.231 4.398 -15.219 690 HG3 GLN 104 HG3 GLN 104 6.866 6.046 -15.735 691 HE21 GLN 104 HE21 GLN 104 8.532 7.408 -16.378 692 HE22 GLN 104 HE22 GLN 104 10.149 6.855 -16.556 693 H LYS 105 H LYS 105 5.125 7.482 -12.669 694 HA LYS 105 HA LYS 105 4.307 9.673 -14.339 695 HB2 LYS 105 HB2 LYS 105 3.862 7.755 -15.805 696 HB3 LYS 105 HB3 LYS 105 2.970 6.974 -14.506 697 HG2 LYS 105 HG2 LYS 105 1.292 8.747 -14.565 698 HG3 LYS 105 HG3 LYS 105 2.184 9.550 -15.847 699 HD2 LYS 105 HD2 LYS 105 1.136 6.738 -16.099 700 HD3 LYS 105 HD3 LYS 105 0.201 8.156 -16.577 701 HE2 LYS 105 HE2 LYS 105 2.885 7.321 -17.683 702 HE3 LYS 105 HE1 LYS 105 1.330 7.179 -18.501 703 HZ1 LYS 105 HZ1 LYS 105 2.335 9.126 -19.341 704 HZ2 LYS 105 HZ2 LYS 105 2.832 9.639 -17.831 705 HZ3 LYS 105 HZ3 LYS 105 1.193 9.704 -18.234 706 H TYR 106 H TYR 106 2.851 10.919 -13.288 707 HA TYR 106 HA TYR 106 1.215 9.760 -11.189 708 HB2 TYR 106 HB2 TYR 106 1.904 11.430 -9.531 709 HB3 TYR 106 HB3 TYR 106 3.290 10.482 -10.034 710 HD1 TYR 106 HD3 TYR 106 4.924 11.540 -11.699 711 HD2 TYR 106 HD2 TYR 106 1.888 13.764 -9.735 712 HE1 TYR 106 HE1 TYR 106 6.132 13.613 -12.192 713 HE2 TYR 106 HE2 TYR 106 3.087 15.846 -10.231 714 HH TYR 106 HH TYR 106 5.521 16.068 -12.467 715 H GLY 107 H GLY 107 -0.487 11.274 -10.519 716 HA2 GLY 107 HA2 GLY 107 -1.235 13.654 -10.972 717 HA3 GLY 107 HA3 GLY 107 -1.084 13.206 -12.677 718 H HIS 108 H HIS 108 -1.979 10.457 -11.778 719 HA HIS 108 HA HIS 108 -4.813 11.091 -11.705 720 HB2 HIS 108 HB2 HIS 108 -5.160 8.714 -12.501 721 HB3 HIS 108 HB3 HIS 108 -4.318 9.754 -13.631 722 HD2 HIS 108 HD2 HIS 108 -3.976 6.310 -12.191 723 HE1 HIS 108 HE1 HIS 108 -0.086 7.422 -13.468 724 HE2 HIS 108 HE2 HIS 108 -1.671 5.506 -12.991 Start of MODEL 16 1 H1 GLY 9 H GLY 9 -11.945 20.161 -18.930 2 HA2 GLY 9 HA2 GLY 9 -13.269 22.730 -18.735 3 HA3 GLY 9 HA3 GLY 9 -14.322 21.331 -18.906 4 H GLY 10 H GLY 10 -14.417 22.973 -16.716 5 HA2 GLY 10 HA2 GLY 10 -13.034 21.461 -14.603 6 HA3 GLY 10 HA3 GLY 10 -13.739 23.066 -14.418 7 H GLY 11 H GLY 11 -14.840 19.845 -15.467 8 HA2 GLY 11 HA2 GLY 11 -17.472 20.340 -14.392 9 HA3 GLY 11 HA3 GLY 11 -16.921 18.881 -15.205 10 H GLY 12 H GLY 12 -15.480 20.411 -12.380 11 HA2 GLY 12 HA2 GLY 12 -15.799 17.890 -10.945 12 HA3 GLY 12 HA3 GLY 12 -14.715 19.205 -10.505 13 H THR 13 H THR 13 -17.639 17.735 -9.871 14 HA THR 13 HA THR 13 -18.317 19.915 -8.071 15 HB THR 13 HB THR 13 -19.849 20.288 -9.887 16 HG1 THR 13 HG3 THR 13 -21.319 20.569 -8.432 17 HG21 THR 13 HG21 THR 13 -20.582 17.362 -9.699 18 HG22 THR 13 HG22 THR 13 -19.680 18.121 -11.011 19 HG23 THR 13 HG23 THR 13 -21.371 18.545 -10.741 20 H ASN 14 H ASN 14 -19.205 19.274 -6.140 21 HA ASN 14 HA ASN 14 -19.757 16.471 -5.660 22 HB2 ASN 14 HB2 ASN 14 -17.313 16.599 -5.375 23 HB3 ASN 14 HB3 ASN 14 -17.512 17.911 -4.219 24 HD21 ASN 14 HD21 ASN 14 -18.073 14.511 -4.806 25 HD22 ASN 14 HD22 ASN 14 -18.203 14.022 -3.168 26 H SER 15 H SER 15 -20.840 16.115 -3.635 27 HA SER 15 HA SER 15 -22.641 18.119 -2.988 28 HB2 SER 15 HB2 SER 15 -23.247 16.503 -1.119 29 HB3 SER 15 HB3 SER 15 -23.307 15.862 -2.763 30 HG SER 15 HG SER 15 -21.523 15.301 -0.674 31 H GLY 16 H GLY 16 -19.572 17.225 -1.501 32 HA2 GLY 16 HA2 GLY 16 -18.336 18.383 0.070 33 HA3 GLY 16 HA3 GLY 16 -19.568 19.645 0.059 34 H ALA 17 H ALA 17 -21.323 19.502 1.444 35 HA ALA 17 HA ALA 17 -21.012 17.650 3.658 36 HB1 ALA 17 HB1 ALA 17 -22.783 18.979 4.728 37 HB2 ALA 17 HB2 ALA 17 -22.962 19.928 3.252 38 HB3 ALA 17 HB3 ALA 17 -21.464 20.011 4.177 39 H GLY 18 H GLY 18 -22.866 16.379 4.354 40 HA2 GLY 18 HA2 GLY 18 -24.930 15.289 3.824 41 HA3 GLY 18 HA3 GLY 18 -24.670 15.700 2.128 42 H LYS 19 H LYS 19 -22.460 14.338 4.488 43 HA LYS 19 HA LYS 19 -22.154 11.998 2.736 44 HB2 LYS 19 HB2 LYS 19 -19.769 11.992 3.225 45 HB3 LYS 19 HB3 LYS 19 -20.238 13.520 2.499 46 HG2 LYS 19 HG2 LYS 19 -20.247 14.542 4.758 47 HG3 LYS 19 HG3 LYS 19 -19.688 13.005 5.416 48 HD2 LYS 19 HD2 LYS 19 -17.668 13.145 4.041 49 HD3 LYS 19 HD3 LYS 19 -18.233 14.671 3.356 50 HE2 LYS 19 HE2 LYS 19 -18.195 15.679 5.586 51 HE3 LYS 19 HE1 LYS 19 -17.614 14.165 6.270 52 HZ1 LYS 19 HZ1 LYS 19 -16.177 15.809 4.244 53 HZ2 LYS 19 HZ2 LYS 19 -15.584 14.394 4.941 54 HZ3 LYS 19 HZ3 LYS 19 -15.817 15.752 5.891 55 H LYS 20 H LYS 20 -21.085 10.166 3.914 56 HA LYS 20 HA LYS 20 -22.571 9.512 6.264 57 HB2 LYS 20 HB2 LYS 20 -20.174 8.218 4.965 58 HB3 LYS 20 HB3 LYS 20 -21.065 7.522 6.302 59 HG2 LYS 20 HG2 LYS 20 -23.044 7.324 4.905 60 HG3 LYS 20 HG3 LYS 20 -22.187 8.095 3.561 61 HD2 LYS 20 HD2 LYS 20 -20.539 6.274 3.578 62 HD3 LYS 20 HD3 LYS 20 -21.413 5.501 4.897 63 HE2 LYS 20 HE2 LYS 20 -22.661 6.112 2.228 64 HE3 LYS 20 HE1 LYS 20 -21.842 4.592 2.579 65 HZ1 LYS 20 HZ1 LYS 20 -24.217 5.624 4.087 66 HZ2 LYS 20 HZ2 LYS 20 -23.410 4.170 4.336 67 HZ3 LYS 20 HZ3 LYS 20 -24.218 4.435 2.877 68 H ARG 21 H ARG 21 -21.876 9.482 8.379 69 HA ARG 21 HA ARG 21 -19.529 11.031 9.036 70 HB2 ARG 21 HB2 ARG 21 -20.022 10.597 11.362 71 HB3 ARG 21 HB3 ARG 21 -21.542 10.942 10.554 72 HG2 ARG 21 HG2 ARG 21 -22.097 8.586 10.514 73 HG3 ARG 21 HG3 ARG 21 -20.526 8.184 11.206 74 HD2 ARG 21 HD2 ARG 21 -21.099 9.458 13.220 75 HD3 ARG 21 HD3 ARG 21 -22.678 9.832 12.528 76 HE ARG 21 HE ARG 21 -23.368 7.695 12.914 77 HH11 ARG 21 HH11 ARG 21 -19.897 7.952 13.690 78 HH12 ARG 21 HH12 ARG 21 -19.852 6.511 14.581 79 HH21 ARG 21 HH21 ARG 21 -23.278 5.697 14.142 80 HH22 ARG 21 HH22 ARG 21 -21.799 5.174 14.816 81 H PHE 22 H PHE 22 -17.573 10.178 9.935 82 HA PHE 22 HA PHE 22 -17.199 7.478 8.905 83 HB2 PHE 22 HB2 PHE 22 -15.142 9.621 9.452 84 HB3 PHE 22 HB3 PHE 22 -14.826 8.048 8.718 85 HD1 PHE 22 HD2 PHE 22 -16.032 7.497 6.543 86 HD2 PHE 22 HD3 PHE 22 -15.773 11.429 8.138 87 HE1 PHE 22 HE2 PHE 22 -16.586 8.428 4.336 88 HE2 PHE 22 HE1 PHE 22 -16.331 12.365 5.940 89 HZ PHE 22 HZ PHE 22 -16.736 10.865 4.032 90 H GLU 23 H GLU 23 -17.247 5.969 10.311 91 HA GLU 23 HA GLU 23 -16.895 6.305 13.108 92 HB2 GLU 23 HB2 GLU 23 -16.767 3.832 11.372 93 HB3 GLU 23 HB3 GLU 23 -16.746 3.805 13.126 94 HG2 GLU 23 HG2 GLU 23 -18.980 4.769 13.174 95 HG3 GLU 23 HG3 GLU 23 -18.991 4.854 11.414 96 H VAL 24 H VAL 24 -15.072 6.086 14.321 97 HA VAL 24 HA VAL 24 -12.612 6.129 12.802 98 HB VAL 24 HB VAL 24 -12.840 6.274 15.812 99 HG11 VAL 24 HG11 VAL 24 -10.685 7.433 15.635 100 HG12 VAL 24 HG12 VAL 24 -10.709 7.208 13.886 101 HG13 VAL 24 HG13 VAL 24 -10.607 5.810 14.955 102 HG21 VAL 24 HG21 VAL 24 -14.234 8.024 14.827 103 HG22 VAL 24 HG22 VAL 24 -12.884 8.546 13.819 104 HG23 VAL 24 HG23 VAL 24 -12.794 8.718 15.571 105 H LYS 25 H LYS 25 -12.156 4.203 12.071 106 HA LYS 25 HA LYS 25 -12.042 1.975 13.963 107 HB2 LYS 25 HB2 LYS 25 -11.944 1.968 10.932 108 HB3 LYS 25 HB3 LYS 25 -11.774 0.532 11.929 109 HG2 LYS 25 HG2 LYS 25 -14.045 0.902 12.817 110 HG3 LYS 25 HG3 LYS 25 -14.214 2.303 11.762 111 HD2 LYS 25 HD2 LYS 25 -13.946 0.873 9.799 112 HD3 LYS 25 HD3 LYS 25 -13.717 -0.533 10.837 113 HE2 LYS 25 HE2 LYS 25 -15.959 -0.685 10.218 114 HE3 LYS 25 HE1 LYS 25 -16.031 0.073 11.805 115 HZ1 LYS 25 HZ1 LYS 25 -17.464 1.402 10.523 116 HZ2 LYS 25 HZ2 LYS 25 -16.509 1.220 9.156 117 HZ3 LYS 25 HZ3 LYS 25 -16.014 2.272 10.331 118 H LYS 26 H LYS 26 -10.225 1.694 14.886 119 HA LYS 26 HA LYS 26 -7.883 3.099 13.926 120 HB2 LYS 26 HB2 LYS 26 -8.717 3.290 16.252 121 HB3 LYS 26 HB3 LYS 26 -8.383 1.586 16.474 122 HG2 LYS 26 HG2 LYS 26 -6.018 1.971 16.303 123 HG3 LYS 26 HG3 LYS 26 -6.288 3.661 15.859 124 HD2 LYS 26 HD2 LYS 26 -5.691 3.531 18.206 125 HD3 LYS 26 HD3 LYS 26 -7.373 4.036 18.045 126 HE2 LYS 26 HE2 LYS 26 -8.068 1.687 18.462 127 HE3 LYS 26 HE1 LYS 26 -6.376 1.264 18.713 128 HZ1 LYS 26 HZ1 LYS 26 -7.993 3.153 20.315 129 HZ2 LYS 26 HZ2 LYS 26 -6.342 2.899 20.545 130 HZ3 LYS 26 HZ3 LYS 26 -7.440 1.635 20.817 131 H SER 27 H SER 27 -9.132 0.101 13.465 132 HA SER 27 HA SER 27 -8.381 -1.801 12.526 133 HB2 SER 27 HB2 SER 27 -5.713 -0.397 12.232 134 HB3 SER 27 HB3 SER 27 -6.262 -1.815 11.336 135 HG SER 27 HG SER 27 -7.655 -0.642 10.240 136 H ASN 28 H ASN 28 -8.071 -1.142 15.360 137 HA ASN 28 HA ASN 28 -5.782 -2.671 16.264 138 HB2 ASN 28 HB2 ASN 28 -6.653 -2.220 18.529 139 HB3 ASN 28 HB3 ASN 28 -6.530 -0.742 17.579 140 HD21 ASN 28 HD21 ASN 28 -8.615 -2.922 19.200 141 HD22 ASN 28 HD22 ASN 28 -10.089 -2.034 18.982 142 H ALA 29 H ALA 29 -8.934 -3.255 15.271 143 HA ALA 29 HA ALA 29 -8.866 -5.969 16.414 144 HB1 ALA 29 HB1 ALA 29 -10.812 -4.669 17.151 145 HB2 ALA 29 HB2 ALA 29 -11.303 -6.018 16.125 146 HB3 ALA 29 HB3 ALA 29 -11.256 -4.381 15.471 147 H SER 30 H SER 30 -7.703 -4.679 13.930 148 HA SER 30 HA SER 30 -9.054 -5.683 11.661 149 HB2 SER 30 HB2 SER 30 -7.399 -3.852 11.525 150 HB3 SER 30 HB3 SER 30 -6.123 -4.971 12.003 151 HG SER 30 HG SER 30 -7.674 -4.956 9.628 152 H ALA 31 H ALA 31 -6.510 -6.909 13.733 153 HA ALA 31 HA ALA 31 -5.834 -8.966 14.287 154 HB1 ALA 31 HB1 ALA 31 -7.040 -10.977 13.646 155 HB2 ALA 31 HB2 ALA 31 -7.911 -10.086 12.399 156 HB3 ALA 31 HB3 ALA 31 -8.187 -9.715 14.102 157 H GLN 32 H GLN 32 -6.367 -8.589 10.862 158 HA GLN 32 HA GLN 32 -4.259 -10.327 10.032 159 HB2 GLN 32 HB2 GLN 32 -5.594 -8.018 8.612 160 HB3 GLN 32 HB3 GLN 32 -4.494 -9.158 7.853 161 HG2 GLN 32 HG2 GLN 32 -6.038 -10.972 8.270 162 HG3 GLN 32 HG3 GLN 32 -7.121 -9.881 9.130 163 HE21 GLN 32 HE21 GLN 32 -7.556 -11.509 6.774 164 HE22 GLN 32 HE22 GLN 32 -8.091 -10.449 5.521 165 H SER 33 H SER 33 -2.200 -9.951 10.483 166 HA SER 33 HA SER 33 -1.238 -7.172 10.463 167 HB2 SER 33 HB2 SER 33 -0.382 -9.343 12.387 168 HB3 SER 33 HB3 SER 33 0.146 -7.657 12.392 169 HG SER 33 HG SER 33 -2.370 -8.745 13.052 170 H ALA 34 H ALA 34 -0.021 -7.067 8.690 171 HA ALA 34 HA ALA 34 2.393 -8.494 8.449 172 HB1 ALA 34 HB1 ALA 34 0.942 -10.330 7.690 173 HB2 ALA 34 HB2 ALA 34 1.945 -9.726 6.369 174 HB3 ALA 34 HB3 ALA 34 0.243 -9.269 6.465 175 H TRP 35 H TRP 35 3.658 -7.681 6.703 176 HA TRP 35 HA TRP 35 2.573 -5.217 5.575 177 HB2 TRP 35 HB2 TRP 35 5.432 -6.197 5.813 178 HB3 TRP 35 HB3 TRP 35 4.956 -4.680 5.064 179 HD1 TRP 35 HD TRP 35 4.194 -2.696 6.693 180 HE1 TRP 35 HE1 TRP 35 4.564 -2.288 9.212 181 HE3 TRP 35 HE3 TRP 35 5.590 -7.397 8.066 182 HZ2 TRP 35 HZ2 TRP 35 5.342 -3.770 11.477 183 HZ3 TRP 35 HZ3 TRP 35 6.135 -7.831 10.438 184 HH2 TRP 35 HH TRP 35 6.012 -6.050 12.102 185 H ASP 36 H ASP 36 1.536 -5.774 3.733 186 HA ASP 36 HA ASP 36 2.654 -7.892 2.070 187 HB2 ASP 36 HB2 ASP 36 0.145 -7.632 2.571 188 HB3 ASP 36 HB3 ASP 36 0.206 -6.254 1.464 189 H ILE 37 H ILE 37 4.133 -7.374 0.764 190 HA ILE 37 HA ILE 37 4.530 -4.554 0.056 191 HB ILE 37 HB ILE 37 6.896 -5.134 -0.268 192 HG12 ILE 37 HG12 ILE 37 6.114 -7.868 0.780 193 HG13 ILE 37 HG11 ILE 37 6.540 -7.517 -0.890 194 HG21 ILE 37 HG21 ILE 37 5.739 -5.963 2.395 195 HG22 ILE 37 HG22 ILE 37 6.121 -4.319 1.896 196 HG23 ILE 37 HG23 ILE 37 7.414 -5.496 2.114 197 HD11 ILE 37 HD11 ILE 37 8.350 -7.218 1.498 198 HD12 ILE 37 HD31 ILE 37 8.393 -8.526 0.314 199 HD13 ILE 37 HD21 ILE 37 8.785 -6.879 -0.179 200 H VAL 38 H VAL 38 3.096 -6.925 -1.443 201 HA VAL 38 HA VAL 38 4.573 -7.199 -3.867 202 HB VAL 38 HB VAL 38 1.610 -7.667 -3.418 203 HG11 VAL 38 HG11 VAL 38 3.454 -8.710 -5.559 204 HG12 VAL 38 HG12 VAL 38 2.152 -7.544 -5.783 205 HG13 VAL 38 HG13 VAL 38 1.782 -9.203 -5.326 206 HG21 VAL 38 HG21 VAL 38 2.913 -8.993 -1.859 207 HG22 VAL 38 HG22 VAL 38 3.905 -9.602 -3.182 208 HG23 VAL 38 HG23 VAL 38 2.197 -10.029 -3.094 209 H VAL 39 H VAL 39 4.550 -5.956 -5.633 210 HA VAL 39 HA VAL 39 3.481 -3.330 -5.534 211 HB VAL 39 HB VAL 39 4.171 -3.173 -7.976 212 HG11 VAL 39 HG11 VAL 39 6.190 -4.024 -5.901 213 HG12 VAL 39 HG12 VAL 39 5.579 -2.387 -6.198 214 HG13 VAL 39 HG13 VAL 39 6.562 -3.193 -7.416 215 HG21 VAL 39 HG21 VAL 39 3.971 -5.546 -8.519 216 HG22 VAL 39 HG22 VAL 39 5.268 -5.924 -7.381 217 HG23 VAL 39 HG23 VAL 39 5.608 -4.963 -8.818 218 H ASP 40 H ASP 40 1.778 -5.981 -6.020 219 HA ASP 40 HA ASP 40 -0.077 -4.831 -7.961 220 HB2 ASP 40 HB2 ASP 40 -0.195 -7.452 -6.497 221 HB3 ASP 40 HB3 ASP 40 -1.427 -6.817 -7.600 222 H ASN 41 H ASN 41 0.560 -4.392 -4.818 223 HA ASN 41 HA ASN 41 -2.075 -3.296 -4.467 224 HB2 ASN 41 HB2 ASN 41 -2.189 -4.047 -2.147 225 HB3 ASN 41 HB3 ASN 41 -2.136 -5.436 -3.226 226 HD21 ASN 41 HD21 ASN 41 -0.483 -3.616 -0.759 227 HD22 ASN 41 HD22 ASN 41 0.772 -4.764 -0.480 228 H CYS 42 H CYS 42 -2.018 -1.737 -2.776 229 HA CYS 42 HA CYS 42 0.477 -0.216 -2.730 230 HB2 CYS 42 HB2 CYS 42 -1.867 0.813 -2.870 231 HB3 CYS 42 HB3 CYS 42 -2.084 0.291 -1.226 232 H ALA 43 H ALA 43 1.952 -0.584 -1.137 233 HA ALA 43 HA ALA 43 1.236 -2.446 0.969 234 HB1 ALA 43 HB1 ALA 43 3.841 -1.017 0.440 235 HB2 ALA 43 HB2 ALA 43 3.390 -2.607 -0.182 236 HB3 ALA 43 HB3 ALA 43 3.589 -2.365 1.556 237 H ILE 44 H ILE 44 1.310 0.879 0.500 238 HA ILE 44 HA ILE 44 2.173 1.713 3.074 239 HB ILE 44 HB ILE 44 0.657 3.247 0.941 240 HG12 ILE 44 HG12 ILE 44 3.623 2.934 1.495 241 HG13 ILE 44 HG11 ILE 44 2.724 2.247 0.190 242 HG21 ILE 44 HG21 ILE 44 2.285 4.232 3.303 243 HG22 ILE 44 HG22 ILE 44 0.525 4.335 3.144 244 HG23 ILE 44 HG23 ILE 44 1.563 5.240 2.047 245 HD11 ILE 44 HD11 ILE 44 3.064 5.201 0.593 246 HD12 ILE 44 HD31 ILE 44 3.972 4.206 -0.543 247 HD13 ILE 44 HD21 ILE 44 2.232 4.410 -0.745 248 H CYS 45 H CYS 45 -0.993 1.491 1.537 249 HA CYS 45 HA CYS 45 -2.320 1.823 4.139 250 HB2 CYS 45 HB2 CYS 45 -4.389 1.848 2.702 251 HB3 CYS 45 HB3 CYS 45 -3.263 3.175 2.349 252 H ARG 46 H ARG 46 -1.306 -0.433 1.901 253 HA ARG 46 HA ARG 46 -1.627 -2.484 1.363 254 HB2 ARG 46 HB2 ARG 46 -0.905 -2.983 3.596 255 HB3 ARG 46 HB3 ARG 46 -2.560 -2.921 4.212 256 HG2 ARG 46 HG2 ARG 46 -3.166 -4.826 2.822 257 HG3 ARG 46 HG3 ARG 46 -1.553 -4.864 2.128 258 HD2 ARG 46 HD2 ARG 46 -1.764 -6.589 3.791 259 HD3 ARG 46 HD3 ARG 46 -0.645 -5.344 4.348 260 HE ARG 46 HE ARG 46 -2.993 -4.566 5.411 261 HH11 ARG 46 HH11 ARG 46 -1.379 -7.713 5.410 262 HH12 ARG 46 HH12 ARG 46 -1.858 -8.146 6.970 263 HH21 ARG 46 HH21 ARG 46 -3.627 -5.098 7.553 264 HH22 ARG 46 HH22 ARG 46 -3.179 -6.574 8.278 265 H ASN 47 H ASN 47 -3.253 -1.291 0.144 266 HA ASN 47 HA ASN 47 -5.478 -3.203 0.092 267 HB2 ASN 47 HB2 ASN 47 -6.332 -0.857 0.773 268 HB3 ASN 47 HB3 ASN 47 -5.847 -0.342 -0.834 269 HD21 ASN 47 HD21 ASN 47 -8.028 0.142 -1.359 270 HD22 ASN 47 HD22 ASN 47 -9.116 -1.113 -1.767 271 H HIS 48 H HIS 48 -6.461 -3.100 -2.255 272 HA HIS 48 HA HIS 48 -4.376 -4.158 -3.820 273 HB2 HIS 48 HB2 HIS 48 -6.870 -4.715 -3.966 274 HB3 HIS 48 HB3 HIS 48 -7.019 -3.288 -4.987 275 HD2 HIS 48 HD2 HIS 48 -4.447 -6.268 -5.135 276 HE1 HIS 48 HE1 HIS 48 -6.127 -5.674 -8.985 277 HE2 HIS 48 HE2 HIS 48 -4.614 -7.116 -7.600 278 H ILE 49 H ILE 49 -3.750 -3.499 -6.061 279 HA ILE 49 HA ILE 49 -2.350 -1.183 -5.826 280 HB ILE 49 HB ILE 49 -1.575 -2.934 -7.253 281 HG12 ILE 49 HG12 ILE 49 -1.016 -1.583 -9.328 282 HG13 ILE 49 HG11 ILE 49 -2.168 -0.414 -8.754 283 HG21 ILE 49 HG21 ILE 49 -3.952 -2.363 -8.980 284 HG22 ILE 49 HG22 ILE 49 -3.605 -3.854 -8.107 285 HG23 ILE 49 HG23 ILE 49 -2.599 -3.377 -9.481 286 HD11 ILE 49 HD11 ILE 49 0.185 -1.288 -7.153 287 HD12 ILE 49 HD31 ILE 49 0.116 0.211 -8.124 288 HD13 ILE 49 HD21 ILE 49 -1.013 -0.013 -6.791 289 H MET 50 H MET 50 -5.321 -1.696 -7.761 290 HA MET 50 HA MET 50 -5.354 1.139 -7.834 291 HB2 MET 50 HB2 MET 50 -6.840 0.795 -10.070 292 HB3 MET 50 HB3 MET 50 -5.083 0.895 -10.021 293 HG2 MET 50 HG2 MET 50 -6.061 -0.869 -11.495 294 HG3 MET 50 HG3 MET 50 -4.802 -1.383 -10.397 295 HE1 MET 50 HE1 MET 50 -5.522 -3.900 -10.975 296 HE2 MET 50 HE2 MET 50 -6.795 -3.289 -12.034 297 HE3 MET 50 HE3 MET 50 -7.172 -4.503 -10.814 298 H ASP 51 H ASP 51 -6.609 1.513 -6.126 299 HA ASP 51 HA ASP 51 -9.417 1.148 -6.245 300 HB2 ASP 51 HB2 ASP 51 -8.640 -1.160 -5.513 301 HB3 ASP 51 HB3 ASP 51 -7.907 -0.418 -4.104 302 H LEU 52 H LEU 52 -10.220 1.773 -3.917 303 HA LEU 52 HA LEU 52 -9.166 4.308 -3.174 304 HB2 LEU 52 HB2 LEU 52 -11.209 2.471 -2.005 305 HB3 LEU 52 HB3 LEU 52 -10.853 4.042 -1.299 306 HG LEU 52 HG LEU 52 -11.781 3.714 -4.160 307 HD11 LEU 52 HD11 LEU 52 -13.994 3.977 -3.490 308 HD12 LEU 52 HD12 LEU 52 -13.534 4.698 -1.981 309 HD13 LEU 52 HD13 LEU 52 -13.382 2.936 -2.185 310 HD21 LEU 52 HD21 LEU 52 -10.630 5.791 -3.654 311 HD22 LEU 52 HD22 LEU 52 -11.626 5.967 -2.210 312 HD23 LEU 52 HD23 LEU 52 -12.378 6.097 -3.809 313 H CYS 53 H CYS 53 -8.043 4.827 -1.215 314 HA CYS 53 HA CYS 53 -6.331 2.758 -0.143 315 HB2 CYS 53 HB2 CYS 53 -6.673 5.538 0.979 316 HB3 CYS 53 HB3 CYS 53 -5.247 4.513 1.017 317 H ILE 54 H ILE 54 -6.040 3.170 2.410 318 HA ILE 54 HA ILE 54 -7.710 1.644 3.920 319 HB ILE 54 HB ILE 54 -7.087 3.325 5.839 320 HG12 ILE 54 HG12 ILE 54 -5.253 4.167 3.573 321 HG13 ILE 54 HG11 ILE 54 -6.333 5.153 4.481 322 HG21 ILE 54 HG21 ILE 54 -5.127 1.513 4.471 323 HG22 ILE 54 HG22 ILE 54 -6.306 1.127 5.743 324 HG23 ILE 54 HG23 ILE 54 -4.966 2.220 6.087 325 HD11 ILE 54 HD11 ILE 54 -3.897 3.838 5.626 326 HD12 ILE 54 HD31 ILE 54 -4.078 5.536 5.156 327 HD13 ILE 54 HD21 ILE 54 -5.049 4.884 6.479 328 H GLU 55 H GLU 55 -7.897 5.009 4.796 329 HA GLU 55 HA GLU 55 -10.615 4.771 5.545 330 HB2 GLU 55 HB2 GLU 55 -8.926 7.197 5.099 331 HB3 GLU 55 HB3 GLU 55 -10.485 7.210 5.868 332 HG2 GLU 55 HG2 GLU 55 -9.443 5.558 7.593 333 HG3 GLU 55 HG3 GLU 55 -7.972 5.950 6.810 334 H CYS 56 H CYS 56 -8.946 5.642 2.693 335 HA CYS 56 HA CYS 56 -10.698 7.480 1.616 336 HB2 CYS 56 HB2 CYS 56 -8.934 5.531 0.190 337 HB3 CYS 56 HB3 CYS 56 -9.722 6.906 -0.569 338 H GLN 57 H GLN 57 -10.826 3.935 1.319 339 HA GLN 57 HA GLN 57 -13.008 3.922 -0.398 340 HB2 GLN 57 HB2 GLN 57 -13.476 1.604 0.509 341 HB3 GLN 57 HB3 GLN 57 -11.901 1.889 -0.233 342 HG2 GLN 57 HG2 GLN 57 -11.375 0.667 1.551 343 HG3 GLN 57 HG3 GLN 57 -11.124 2.281 2.179 344 HE21 GLN 57 HE21 GLN 57 -11.419 1.733 4.294 345 HE22 GLN 57 HE22 GLN 57 -12.934 1.268 4.987 346 H ALA 58 H ALA 58 -13.007 4.067 3.069 347 HA ALA 58 HA ALA 58 -15.884 4.112 3.303 348 HB1 ALA 58 HB1 ALA 58 -15.500 4.808 5.621 349 HB2 ALA 58 HB2 ALA 58 -13.806 5.112 5.250 350 HB3 ALA 58 HB3 ALA 58 -14.433 3.461 5.200 351 H ASN 59 H ASN 59 -13.331 6.414 3.131 352 HA ASN 59 HA ASN 59 -14.573 8.842 3.726 353 HB2 ASN 59 HB2 ASN 59 -12.115 8.286 3.525 354 HB3 ASN 59 HB3 ASN 59 -12.370 8.341 1.786 355 HD21 ASN 59 HD21 ASN 59 -12.089 10.129 4.676 356 HD22 ASN 59 HD22 ASN 59 -11.929 11.684 3.944 357 H GLN 60 H GLN 60 -14.187 7.051 0.755 358 HA GLN 60 HA GLN 60 -14.866 7.258 -1.344 359 HB2 GLN 60 HB2 GLN 60 -17.156 7.557 -0.467 360 HB3 GLN 60 HB3 GLN 60 -16.869 9.283 -0.309 361 HG2 GLN 60 HG2 GLN 60 -16.546 9.432 -2.741 362 HG3 GLN 60 HG3 GLN 60 -16.912 7.715 -2.876 363 HE21 GLN 60 HE21 GLN 60 -18.663 8.078 -4.166 364 HE22 GLN 60 HE22 GLN 60 -20.152 8.740 -3.575 365 H ALA 61 H ALA 61 -12.845 8.037 -1.809 366 HA ALA 61 HA ALA 61 -12.212 10.792 -1.888 367 HB1 ALA 61 HB1 ALA 61 -10.477 9.050 -1.923 368 HB2 ALA 61 HB2 ALA 61 -10.335 10.117 -3.319 369 HB3 ALA 61 HB3 ALA 61 -11.049 8.514 -3.504 370 H SER 62 H SER 62 -13.415 12.162 -3.017 371 HA SER 62 HA SER 62 -14.769 11.192 -5.353 372 HB2 SER 62 HB2 SER 62 -15.967 12.578 -3.680 373 HB3 SER 62 HB3 SER 62 -14.931 13.938 -4.111 374 HG SER 62 HG SER 62 -16.755 12.532 -5.723 375 H ALA 63 H ALA 63 -13.341 10.917 -6.820 376 HA ALA 63 HA ALA 63 -12.827 12.975 -8.635 377 HB1 ALA 63 HB1 ALA 63 -10.328 12.825 -8.665 378 HB2 ALA 63 HB2 ALA 63 -10.387 11.865 -7.186 379 HB3 ALA 63 HB3 ALA 63 -10.922 13.543 -7.167 380 H THR 64 H THR 64 -10.910 10.158 -7.722 381 HA THR 64 HA THR 64 -12.508 8.546 -9.546 382 HB THR 64 HB THR 64 -9.510 8.226 -9.180 383 HG1 THR 64 HG3 THR 64 -10.902 9.196 -11.469 384 HG21 THR 64 HG21 THR 64 -11.437 7.066 -11.194 385 HG22 THR 64 HG22 THR 64 -10.788 6.215 -9.798 386 HG23 THR 64 HG23 THR 64 -9.707 6.731 -11.101 387 H SER 65 H SER 65 -13.346 6.841 -8.484 388 HA SER 65 HA SER 65 -12.149 6.073 -5.883 389 HB2 SER 65 HB2 SER 65 -14.888 5.532 -7.007 390 HB3 SER 65 HB3 SER 65 -14.354 5.102 -5.382 391 HG SER 65 HG SER 65 -13.848 7.656 -5.636 392 H GLU 66 H GLU 66 -12.484 5.210 -9.073 393 HA GLU 66 HA GLU 66 -12.346 2.391 -9.002 394 HB2 GLU 66 HB2 GLU 66 -12.736 3.942 -10.998 395 HB3 GLU 66 HB3 GLU 66 -11.051 4.323 -10.908 396 HG2 GLU 66 HG2 GLU 66 -10.393 2.089 -11.449 397 HG3 GLU 66 HG3 GLU 66 -12.071 1.540 -11.397 398 H GLU 67 H GLU 67 -10.020 5.008 -8.873 399 HA GLU 67 HA GLU 67 -8.190 3.443 -7.351 400 HB2 GLU 67 HB2 GLU 67 -6.270 4.317 -8.666 401 HB3 GLU 67 HB3 GLU 67 -7.283 3.290 -9.665 402 HG2 GLU 67 HG2 GLU 67 -8.267 5.218 -10.726 403 HG3 GLU 67 HG3 GLU 67 -7.397 6.314 -9.672 404 H CYS 68 H CYS 68 -7.862 4.681 -5.630 405 HA CYS 68 HA CYS 68 -8.886 7.265 -5.254 406 HB2 CYS 68 HB2 CYS 68 -8.061 5.778 -3.398 407 HB3 CYS 68 HB3 CYS 68 -6.420 6.116 -3.889 408 H THR 69 H THR 69 -5.612 6.252 -5.894 409 HA THR 69 HA THR 69 -5.194 7.538 -8.244 410 HB THR 69 HB THR 69 -3.246 8.978 -7.439 411 HG1 THR 69 HG3 THR 69 -4.845 9.567 -5.180 412 HG21 THR 69 HG21 THR 69 -5.044 10.013 -8.647 413 HG22 THR 69 HG22 THR 69 -4.584 11.071 -7.309 414 HG23 THR 69 HG23 THR 69 -6.037 10.083 -7.187 415 H VAL 70 H VAL 70 -3.317 6.647 -9.148 416 HA VAL 70 HA VAL 70 -1.521 5.292 -7.269 417 HB VAL 70 HB VAL 70 -3.185 3.681 -8.349 418 HG11 VAL 70 HG11 VAL 70 -1.572 4.262 -10.800 419 HG12 VAL 70 HG12 VAL 70 -3.271 4.654 -10.542 420 HG13 VAL 70 HG13 VAL 70 -2.759 2.961 -10.636 421 HG21 VAL 70 HG21 VAL 70 -1.138 2.874 -7.348 422 HG22 VAL 70 HG22 VAL 70 -0.251 3.215 -8.834 423 HG23 VAL 70 HG23 VAL 70 -1.494 1.965 -8.818 424 H ALA 71 H ALA 71 0.629 5.119 -7.908 425 HA ALA 71 HA ALA 71 1.358 6.476 -10.384 426 HB1 ALA 71 HB1 ALA 71 3.081 7.759 -9.208 427 HB2 ALA 71 HB2 ALA 71 2.499 7.133 -7.662 428 HB3 ALA 71 HB3 ALA 71 1.465 8.180 -8.641 429 H TRP 72 H TRP 72 3.181 5.693 -11.306 430 HA TRP 72 HA TRP 72 4.135 3.210 -10.154 431 HB2 TRP 72 HB2 TRP 72 4.844 4.412 -12.774 432 HB3 TRP 72 HB3 TRP 72 4.991 2.748 -12.315 433 HD1 TRP 72 HD TRP 72 3.003 4.531 -14.624 434 HE1 TRP 72 HE1 TRP 72 0.635 3.589 -14.957 435 HE3 TRP 72 HE3 TRP 72 2.708 1.666 -10.455 436 HZ2 TRP 72 HZ2 TRP 72 -1.133 1.863 -13.624 437 HZ3 TRP 72 HZ3 TRP 72 0.606 0.377 -10.039 438 HH2 TRP 72 HH TRP 72 -1.256 0.492 -11.597 439 H GLY 73 H GLY 73 6.278 2.910 -9.688 440 HA2 GLY 73 HA2 GLY 73 7.855 5.347 -9.414 441 HA3 GLY 73 HA3 GLY 73 8.075 3.835 -8.532 442 H VAL 74 H VAL 74 9.881 5.501 -10.248 443 HA VAL 74 HA VAL 74 10.435 4.087 -12.642 444 HB VAL 74 HB VAL 74 12.354 5.768 -10.980 445 HG11 VAL 74 HG11 VAL 74 13.550 4.372 -12.579 446 HG12 VAL 74 HG12 VAL 74 13.621 6.068 -13.058 447 HG13 VAL 74 HG13 VAL 74 12.521 4.965 -13.882 448 HG21 VAL 74 HG21 VAL 74 10.379 7.033 -11.623 449 HG22 VAL 74 HG22 VAL 74 10.603 6.543 -13.298 450 HG23 VAL 74 HG23 VAL 74 11.791 7.596 -12.524 451 H CYS 75 H CYS 75 11.129 3.540 -9.349 452 HA CYS 75 HA CYS 75 13.331 1.731 -9.717 453 HB2 CYS 75 HB2 CYS 75 13.083 3.217 -7.788 454 HB3 CYS 75 HB3 CYS 75 11.632 2.397 -7.278 455 H ASN 76 H ASN 76 10.646 1.233 -10.999 456 HA ASN 76 HA ASN 76 9.333 -0.479 -11.594 457 HB2 ASN 76 HB2 ASN 76 11.566 -1.604 -11.813 458 HB3 ASN 76 HB3 ASN 76 11.365 -2.224 -10.179 459 HD21 ASN 76 HD21 ASN 76 8.741 -1.967 -12.547 460 HD22 ASN 76 HD22 ASN 76 8.504 -3.656 -12.733 461 H HIS 77 H HIS 77 8.611 0.898 -9.488 462 HA HIS 77 HA HIS 77 7.404 -1.113 -7.772 463 HB2 HIS 77 HB2 HIS 77 8.751 1.392 -7.004 464 HB3 HIS 77 HB3 HIS 77 7.317 0.932 -6.075 465 HD2 HIS 77 HD2 HIS 77 7.981 -2.318 -6.014 466 HE1 HIS 77 HE1 HIS 77 11.421 -1.064 -3.897 467 HE2 HIS 77 HE2 HIS 77 9.943 -3.008 -4.491 468 H ALA 78 H ALA 78 5.317 -0.504 -6.788 469 HA ALA 78 HA ALA 78 3.914 1.584 -8.233 470 HB1 ALA 78 HB1 ALA 78 3.509 -0.518 -9.436 471 HB2 ALA 78 HB2 ALA 78 2.050 0.074 -8.643 472 HB3 ALA 78 HB3 ALA 78 2.955 -1.261 -7.933 473 H PHE 79 H PHE 79 2.857 2.816 -6.796 474 HA PHE 79 HA PHE 79 1.653 1.594 -4.435 475 HB2 PHE 79 HB2 PHE 79 3.376 4.070 -4.391 476 HB3 PHE 79 HB3 PHE 79 2.413 3.488 -3.039 477 HD1 PHE 79 HD2 PHE 79 3.156 1.356 -1.874 478 HD2 PHE 79 HD3 PHE 79 5.465 3.184 -4.939 479 HE1 PHE 79 HE2 PHE 79 5.159 0.010 -1.204 480 HE2 PHE 79 HE1 PHE 79 7.412 1.867 -4.282 481 HZ PHE 79 HZ PHE 79 7.257 0.288 -2.421 482 H HIS 80 H HIS 80 0.078 3.244 -3.435 483 HA HIS 80 HA HIS 80 -1.392 4.479 -5.525 484 HB2 HIS 80 HB2 HIS 80 -1.549 4.474 -2.542 485 HB3 HIS 80 HB3 HIS 80 -2.537 5.559 -3.484 486 HD2 HIS 80 HD2 HIS 80 -3.077 2.953 -5.760 487 HE1 HIS 80 HE1 HIS 80 -5.318 1.530 -2.453 488 HE2 HIS 80 HE2 HIS 80 -4.533 1.066 -4.783 489 H PHE 81 H PHE 81 -1.330 6.570 -6.125 490 HA PHE 81 HA PHE 81 0.959 8.103 -5.600 491 HB2 PHE 81 HB2 PHE 81 -0.443 8.433 -7.620 492 HB3 PHE 81 HB3 PHE 81 -1.728 8.970 -6.539 493 HD1 PHE 81 HD3 PHE 81 1.764 9.842 -7.510 494 HD2 PHE 81 HD2 PHE 81 -2.012 11.233 -6.127 495 HE1 PHE 81 HE1 PHE 81 2.552 12.158 -7.694 496 HE2 PHE 81 HE2 PHE 81 -1.228 13.553 -6.305 497 HZ PHE 81 HZ PHE 81 1.057 14.020 -7.089 498 H HIS 82 H HIS 82 -2.261 8.149 -4.269 499 HA HIS 82 HA HIS 82 -1.963 10.403 -2.638 500 HB2 HIS 82 HB2 HIS 82 -4.138 9.373 -3.104 501 HB3 HIS 82 HB3 HIS 82 -3.680 7.961 -2.160 502 HD2 HIS 82 HD2 HIS 82 -2.856 11.394 -0.708 503 HE1 HIS 82 HE1 HIS 82 -6.192 9.869 1.440 504 HE2 HIS 82 HE2 HIS 82 -4.826 11.883 0.970 505 H CYS 83 H CYS 83 -1.449 6.948 -1.901 506 HA CYS 83 HA CYS 83 -0.728 7.368 0.779 507 HB2 CYS 83 HB2 CYS 83 -0.104 4.973 -0.981 508 HB3 CYS 83 HB3 CYS 83 -0.067 5.102 0.762 509 H ILE 84 H ILE 84 1.132 6.868 -2.210 510 HA ILE 84 HA ILE 84 3.594 6.862 -0.860 511 HB ILE 84 HB ILE 84 3.310 5.965 -3.227 512 HG12 ILE 84 HG12 ILE 84 5.522 6.846 -4.041 513 HG13 ILE 84 HG11 ILE 84 5.492 7.962 -2.696 514 HG21 ILE 84 HG21 ILE 84 3.500 8.850 -4.035 515 HG22 ILE 84 HG22 ILE 84 2.041 7.862 -4.042 516 HG23 ILE 84 HG23 ILE 84 3.394 7.429 -5.104 517 HD11 ILE 84 HD11 ILE 84 5.469 4.964 -2.437 518 HD12 ILE 84 HD31 ILE 84 6.876 6.001 -2.232 519 HD13 ILE 84 HD21 ILE 84 5.524 6.125 -1.109 520 H SER 85 H SER 85 1.697 9.459 -2.249 521 HA SER 85 HA SER 85 3.602 11.503 -1.898 522 HB2 SER 85 HB2 SER 85 0.584 11.688 -1.811 523 HB3 SER 85 HB3 SER 85 1.677 13.071 -1.901 524 HG SER 85 HG SER 85 1.140 11.073 -3.782 525 H ARG 86 H ARG 86 1.136 10.248 0.319 526 HA ARG 86 HA ARG 86 1.699 11.949 2.502 527 HB2 ARG 86 HB2 ARG 86 0.635 9.115 2.381 528 HB3 ARG 86 HB3 ARG 86 0.691 10.063 3.861 529 HG2 ARG 86 HG2 ARG 86 -0.813 11.700 2.908 530 HG3 ARG 86 HG3 ARG 86 -0.807 10.840 1.371 531 HD2 ARG 86 HD2 ARG 86 -2.834 10.328 2.589 532 HD3 ARG 86 HD3 ARG 86 -1.826 8.892 2.485 533 HE ARG 86 HE ARG 86 -1.258 10.212 4.885 534 HH11 ARG 86 HH11 ARG 86 -3.936 8.459 3.390 535 HH12 ARG 86 HH12 ARG 86 -4.589 7.899 4.869 536 HH21 ARG 86 HH21 ARG 86 -2.130 9.412 6.923 537 HH22 ARG 86 HH22 ARG 86 -3.506 8.418 6.918 538 H TRP 87 H TRP 87 3.003 8.854 1.461 539 HA TRP 87 HA TRP 87 4.773 8.324 3.570 540 HB2 TRP 87 HB2 TRP 87 4.190 6.638 1.931 541 HB3 TRP 87 HB3 TRP 87 4.840 7.633 0.639 542 HD1 TRP 87 HD TRP 87 7.304 7.243 -0.007 543 HE1 TRP 87 HE1 TRP 87 9.210 5.881 1.003 544 HE3 TRP 87 HE3 TRP 87 5.072 5.871 4.360 545 HZ2 TRP 87 HZ2 TRP 87 9.720 4.393 3.362 546 HZ3 TRP 87 HZ3 TRP 87 6.342 4.462 5.968 547 HH2 TRP 87 HH TRP 87 8.621 3.746 5.466 548 H LEU 88 H LEU 88 5.172 10.008 0.546 549 HA LEU 88 HA LEU 88 7.909 10.550 0.853 550 HB2 LEU 88 HB2 LEU 88 5.826 11.693 -0.953 551 HB3 LEU 88 HB3 LEU 88 7.531 12.097 -1.072 552 HG LEU 88 HG LEU 88 6.467 9.294 -1.263 553 HD11 LEU 88 HD11 LEU 88 7.213 11.177 -3.492 554 HD12 LEU 88 HD12 LEU 88 5.592 10.577 -3.069 555 HD13 LEU 88 HD13 LEU 88 6.825 9.454 -3.624 556 HD21 LEU 88 HD21 LEU 88 8.685 8.815 -2.214 557 HD22 LEU 88 HD22 LEU 88 8.799 9.403 -0.567 558 HD23 LEU 88 HD23 LEU 88 9.172 10.477 -1.914 559 H LYS 89 H LYS 89 5.116 12.236 1.944 560 HA LYS 89 HA LYS 89 6.364 14.692 2.569 561 HB2 LYS 89 HB2 LYS 89 4.115 13.208 3.935 562 HB3 LYS 89 HB3 LYS 89 4.669 14.799 4.434 563 HG2 LYS 89 HG2 LYS 89 4.024 15.717 2.284 564 HG3 LYS 89 HG3 LYS 89 3.552 14.113 1.723 565 HD2 LYS 89 HD2 LYS 89 1.612 15.452 2.439 566 HD3 LYS 89 HD3 LYS 89 1.812 14.003 3.418 567 HE2 LYS 89 HE2 LYS 89 1.248 15.970 4.766 568 HE3 LYS 89 HE1 LYS 89 2.813 15.312 5.209 569 HZ1 LYS 89 HZ1 LYS 89 2.328 17.731 3.524 570 HZ2 LYS 89 HZ2 LYS 89 3.852 17.093 3.862 571 HZ3 LYS 89 HZ3 LYS 89 2.895 17.689 5.111 572 H THR 90 H THR 90 6.073 11.633 4.259 573 HA THR 90 HA THR 90 7.665 12.625 6.446 574 HB THR 90 HB THR 90 7.340 10.368 7.458 575 HG1 THR 90 HG3 THR 90 6.725 9.704 4.920 576 HG21 THR 90 HG21 THR 90 4.914 10.587 7.779 577 HG22 THR 90 HG22 THR 90 4.840 11.661 6.383 578 HG23 THR 90 HG23 THR 90 5.704 12.168 7.839 579 H ARG 91 H ARG 91 8.204 10.644 3.579 580 HA ARG 91 HA ARG 91 10.933 10.075 4.482 581 HB2 ARG 91 HB2 ARG 91 9.055 8.112 3.159 582 HB3 ARG 91 HB3 ARG 91 10.734 7.824 3.580 583 HG2 ARG 91 HG2 ARG 91 8.540 8.426 5.548 584 HG3 ARG 91 HG3 ARG 91 9.161 6.822 5.178 585 HD2 ARG 91 HD2 ARG 91 11.322 7.364 5.997 586 HD3 ARG 91 HD3 ARG 91 10.904 9.063 6.180 587 HE ARG 91 HE ARG 91 9.720 6.872 7.755 588 HH11 ARG 91 HH11 ARG 91 10.859 10.229 7.529 589 HH12 ARG 91 HH12 ARG 91 10.659 10.577 9.166 590 HH21 ARG 91 HH21 ARG 91 9.406 7.362 10.049 591 HH22 ARG 91 HH22 ARG 91 9.811 8.913 10.629 592 H GLN 92 H GLN 92 12.415 9.724 2.821 593 HA GLN 92 HA GLN 92 11.679 11.100 0.330 594 HB2 GLN 92 HB2 GLN 92 14.270 10.633 1.740 595 HB3 GLN 92 HB3 GLN 92 14.191 11.266 0.107 596 HG2 GLN 92 HG2 GLN 92 12.935 13.200 0.906 597 HG3 GLN 92 HG3 GLN 92 12.917 12.528 2.535 598 HE21 GLN 92 HE21 GLN 92 13.880 14.482 3.195 599 HE22 GLN 92 HE22 GLN 92 15.582 14.746 3.031 600 H VAL 93 H VAL 93 12.026 8.038 1.449 601 HA VAL 93 HA VAL 93 13.263 7.058 -1.043 602 HB VAL 93 HB VAL 93 14.294 5.243 0.336 603 HG11 VAL 93 HG11 VAL 93 15.042 8.072 1.085 604 HG12 VAL 93 HG12 VAL 93 15.601 7.180 -0.336 605 HG13 VAL 93 HG13 VAL 93 16.077 6.652 1.280 606 HG21 VAL 93 HG21 VAL 93 12.771 5.366 2.249 607 HG22 VAL 93 HG22 VAL 93 13.381 6.989 2.596 608 HG23 VAL 93 HG23 VAL 93 14.454 5.594 2.766 609 H CYS 94 H CYS 94 12.745 4.863 -1.625 610 HA CYS 94 HA CYS 94 10.102 4.111 -1.630 611 HB2 CYS 94 HB2 CYS 94 12.578 2.435 -1.719 612 HB3 CYS 94 HB3 CYS 94 10.986 1.755 -2.010 613 HA PRO 95 HA PRO 95 9.384 2.652 2.608 614 HB2 PRO 95 HB2 PRO 95 7.527 0.845 1.193 615 HB3 PRO 95 HB3 PRO 95 7.198 1.931 2.543 616 HG2 PRO 95 HG2 PRO 95 6.337 2.519 0.094 617 HG3 PRO 95 HG3 PRO 95 6.982 3.799 1.160 618 HD2 PRO 95 HD2 PRO 95 8.237 2.422 -1.170 619 HD3 PRO 95 HD3 PRO 95 8.344 4.121 -0.672 620 H LEU 96 H LEU 96 9.609 0.634 -0.152 621 HA LEU 96 HA LEU 96 10.078 -1.817 1.316 622 HB2 LEU 96 HB2 LEU 96 10.205 -1.360 -1.654 623 HB3 LEU 96 HB3 LEU 96 10.016 -2.888 -0.826 624 HG LEU 96 HG LEU 96 8.017 -0.674 -0.949 625 HD11 LEU 96 HD11 LEU 96 8.267 -1.847 -3.012 626 HD12 LEU 96 HD12 LEU 96 6.700 -2.230 -2.287 627 HD13 LEU 96 HD13 LEU 96 8.032 -3.396 -2.211 628 HD21 LEU 96 HD21 LEU 96 6.478 -2.261 0.150 629 HD22 LEU 96 HD22 LEU 96 7.824 -1.783 1.180 630 HD23 LEU 96 HD23 LEU 96 7.833 -3.367 0.398 631 H ASP 97 H ASP 97 11.819 0.319 -0.854 632 HA ASP 97 HA ASP 97 14.213 -1.390 -0.764 633 HB2 ASP 97 HB2 ASP 97 13.545 1.029 -2.399 634 HB3 ASP 97 HB3 ASP 97 15.140 0.296 -2.439 635 H ASN 98 H ASN 98 13.042 1.576 0.573 636 HA ASN 98 HA ASN 98 13.982 3.328 1.587 637 HB2 ASN 98 HB2 ASN 98 15.826 1.140 2.408 638 HB3 ASN 98 HB3 ASN 98 16.142 2.792 2.957 639 HD21 ASN 98 HD21 ASN 98 14.708 3.749 4.362 640 HD22 ASN 98 HD22 ASN 98 13.500 2.903 5.260 641 H ARG 99 H ARG 99 14.521 3.076 -1.113 642 HA ARG 99 HA ARG 99 17.033 4.610 -1.325 643 HB2 ARG 99 HB2 ARG 99 15.724 2.787 -3.356 644 HB3 ARG 99 HB3 ARG 99 17.099 3.831 -3.693 645 HG2 ARG 99 HG2 ARG 99 18.425 2.644 -2.050 646 HG3 ARG 99 HG3 ARG 99 16.993 1.665 -1.681 647 HD2 ARG 99 HD2 ARG 99 18.564 0.464 -3.181 648 HD3 ARG 99 HD3 ARG 99 16.989 0.737 -3.917 649 HE ARG 99 HE ARG 99 18.658 2.862 -4.608 650 HH11 ARG 99 HH11 ARG 99 18.447 -0.613 -5.197 651 HH12 ARG 99 HH12 ARG 99 19.099 -0.544 -6.760 652 HH21 ARG 99 HH21 ARG 99 19.505 3.000 -6.729 653 HH22 ARG 99 HH22 ARG 99 19.716 1.616 -7.699 654 H GLU 100 H GLU 100 16.891 6.447 -2.849 655 HA GLU 100 HA GLU 100 14.624 7.902 -2.167 656 HB2 GLU 100 HB2 GLU 100 16.805 8.922 -2.720 657 HB3 GLU 100 HB3 GLU 100 16.558 8.499 -4.407 658 HG2 GLU 100 HG2 GLU 100 14.641 9.966 -4.534 659 HG3 GLU 100 HG3 GLU 100 14.777 10.330 -2.815 660 H TRP 101 H TRP 101 12.684 8.146 -2.946 661 HA TRP 101 HA TRP 101 11.831 6.358 -4.988 662 HB2 TRP 101 HB2 TRP 101 10.306 6.509 -3.218 663 HB3 TRP 101 HB3 TRP 101 10.453 8.234 -3.080 664 HD1 TRP 101 HD TRP 101 9.002 9.715 -4.752 665 HE1 TRP 101 HE1 TRP 101 6.931 9.176 -6.195 666 HE3 TRP 101 HE3 TRP 101 9.219 4.682 -4.535 667 HZ2 TRP 101 HZ2 TRP 101 5.584 6.928 -7.109 668 HZ3 TRP 101 HZ3 TRP 101 7.479 3.355 -5.736 669 HH2 TRP 101 HH TRP 101 5.696 4.483 -6.987 670 H GLU 102 H GLU 102 11.419 6.767 -7.040 671 HA GLU 102 HA GLU 102 11.259 9.562 -7.952 672 HB2 GLU 102 HB2 GLU 102 12.391 7.139 -9.351 673 HB3 GLU 102 HB3 GLU 102 12.164 8.709 -10.112 674 HG2 GLU 102 HG2 GLU 102 13.723 9.707 -8.529 675 HG3 GLU 102 HG3 GLU 102 13.940 8.140 -7.754 676 H PHE 103 H PHE 103 9.630 10.046 -9.405 677 HA PHE 103 HA PHE 103 7.437 8.126 -9.573 678 HB2 PHE 103 HB2 PHE 103 7.671 11.045 -10.288 679 HB3 PHE 103 HB3 PHE 103 6.256 10.107 -10.678 680 HD1 PHE 103 HD2 PHE 103 4.867 9.214 -8.851 681 HD2 PHE 103 HD3 PHE 103 8.058 11.896 -8.179 682 HE1 PHE 103 HE2 PHE 103 3.903 9.769 -6.644 683 HE2 PHE 103 HE1 PHE 103 7.122 12.481 -5.958 684 HZ PHE 103 HZ PHE 103 5.035 11.411 -5.197 685 H GLN 104 H GLN 104 7.225 6.850 -11.281 686 HA GLN 104 HA GLN 104 8.729 7.343 -13.695 687 HB2 GLN 104 HB2 GLN 104 8.486 5.061 -12.766 688 HB3 GLN 104 HB3 GLN 104 6.763 5.162 -13.020 689 HG2 GLN 104 HG2 GLN 104 7.794 3.861 -14.772 690 HG3 GLN 104 HG3 GLN 104 7.120 5.352 -15.431 691 HE21 GLN 104 HE21 GLN 104 8.448 6.855 -16.303 692 HE22 GLN 104 HE22 GLN 104 10.133 6.638 -16.557 693 H LYS 105 H LYS 105 5.306 7.068 -12.793 694 HA LYS 105 HA LYS 105 4.523 8.982 -14.757 695 HB2 LYS 105 HB2 LYS 105 4.696 7.128 -16.254 696 HB3 LYS 105 HB3 LYS 105 3.879 6.063 -15.138 697 HG2 LYS 105 HG2 LYS 105 2.358 6.586 -16.912 698 HG3 LYS 105 HG3 LYS 105 1.801 7.421 -15.467 699 HD2 LYS 105 HD2 LYS 105 1.612 8.937 -17.317 700 HD3 LYS 105 HD3 LYS 105 2.952 9.480 -16.309 701 HE2 LYS 105 HE2 LYS 105 4.544 8.459 -17.848 702 HE3 LYS 105 HE1 LYS 105 3.218 7.840 -18.833 703 HZ1 LYS 105 HZ1 LYS 105 3.802 10.717 -18.346 704 HZ2 LYS 105 HZ2 LYS 105 2.546 10.121 -19.272 705 HZ3 LYS 105 HZ3 LYS 105 4.137 9.875 -19.784 706 H TYR 106 H TYR 106 2.839 10.055 -13.975 707 HA TYR 106 HA TYR 106 0.687 8.655 -12.687 708 HB2 TYR 106 HB2 TYR 106 0.580 10.161 -10.742 709 HB3 TYR 106 HB3 TYR 106 2.080 9.250 -10.750 710 HD1 TYR 106 HD3 TYR 106 4.211 10.406 -11.211 711 HD2 TYR 106 HD2 TYR 106 0.548 12.544 -10.961 712 HE1 TYR 106 HE1 TYR 106 5.461 12.516 -10.944 713 HE2 TYR 106 HE2 TYR 106 1.780 14.647 -10.698 714 HH TYR 106 HH TYR 106 5.195 14.838 -11.181 715 H GLY 107 H GLY 107 -1.203 10.166 -12.393 716 HA2 GLY 107 HA2 GLY 107 -2.457 12.041 -13.088 717 HA3 GLY 107 HA3 GLY 107 -1.087 12.558 -14.065 718 H HIS 108 H HIS 108 -2.314 9.343 -14.170 719 HA HIS 108 HA HIS 108 -2.933 9.601 -16.978 720 HB2 HIS 108 HB2 HIS 108 -3.398 7.103 -16.771 721 HB3 HIS 108 HB3 HIS 108 -1.752 7.616 -16.411 722 HD2 HIS 108 HD2 HIS 108 -4.703 5.802 -14.705 723 HE1 HIS 108 HE1 HIS 108 -1.691 6.377 -11.785 724 HE2 HIS 108 HE2 HIS 108 -4.056 5.694 -12.211 Start of MODEL 17 1 H1 GLY 9 H GLY 9 9.877 -3.000 -22.681 2 HA2 GLY 9 HA2 GLY 9 7.563 -3.331 -22.478 3 HA3 GLY 9 HA3 GLY 9 7.855 -4.431 -21.130 4 H GLY 10 H GLY 10 6.015 -2.226 -21.265 5 HA2 GLY 10 HA2 GLY 10 5.700 -1.152 -18.975 6 HA3 GLY 10 HA3 GLY 10 7.213 -0.337 -19.356 7 H GLY 11 H GLY 11 5.254 1.292 -18.836 8 HA2 GLY 11 HA2 GLY 11 3.940 2.004 -21.363 9 HA3 GLY 11 HA3 GLY 11 3.515 2.613 -19.767 10 H GLY 12 H GLY 12 4.726 3.579 -22.602 11 HA2 GLY 12 HA2 GLY 12 6.461 5.564 -21.297 12 HA3 GLY 12 HA3 GLY 12 6.838 4.859 -22.859 13 H THR 13 H THR 13 3.496 5.348 -22.502 14 HA THR 13 HA THR 13 3.777 7.896 -23.875 15 HB THR 13 HB THR 13 3.278 6.286 -25.590 16 HG1 THR 13 HG3 THR 13 2.066 7.669 -26.409 17 HG21 THR 13 HG21 THR 13 0.838 5.484 -23.990 18 HG22 THR 13 HG22 THR 13 2.298 4.515 -24.175 19 HG23 THR 13 HG23 THR 13 1.284 4.858 -25.579 20 H ASN 14 H ASN 14 3.158 9.334 -22.462 21 HA ASN 14 HA ASN 14 0.390 9.424 -21.728 22 HB2 ASN 14 HB2 ASN 14 1.470 8.074 -19.886 23 HB3 ASN 14 HB3 ASN 14 2.433 9.489 -19.492 24 HD21 ASN 14 HD21 ASN 14 -0.697 8.028 -19.409 25 HD22 ASN 14 HD22 ASN 14 -1.451 9.153 -18.372 26 H SER 15 H SER 15 -0.196 11.459 -22.074 27 HA SER 15 HA SER 15 1.594 13.632 -21.318 28 HB2 SER 15 HB2 SER 15 2.142 13.053 -23.680 29 HB3 SER 15 HB3 SER 15 0.464 13.365 -24.118 30 HG SER 15 HG SER 15 2.512 15.087 -23.459 31 H GLY 16 H GLY 16 0.454 15.506 -20.752 32 HA2 GLY 16 HA2 GLY 16 -1.337 16.917 -20.549 33 HA3 GLY 16 HA3 GLY 16 -2.274 15.854 -21.580 34 H ALA 17 H ALA 17 -0.597 14.742 -18.748 35 HA ALA 17 HA ALA 17 -2.987 13.574 -17.716 36 HB1 ALA 17 HB1 ALA 17 -0.287 13.807 -16.386 37 HB2 ALA 17 HB2 ALA 17 -0.766 12.506 -17.472 38 HB3 ALA 17 HB3 ALA 17 -1.595 12.712 -15.923 39 H GLY 18 H GLY 18 -4.475 14.962 -17.038 40 HA2 GLY 18 HA2 GLY 18 -3.642 17.054 -15.123 41 HA3 GLY 18 HA3 GLY 18 -4.934 17.252 -16.292 42 H LYS 19 H LYS 19 -4.176 14.578 -14.107 43 HA LYS 19 HA LYS 19 -6.827 14.999 -12.909 44 HB2 LYS 19 HB2 LYS 19 -5.265 12.427 -13.219 45 HB3 LYS 19 HB3 LYS 19 -6.735 12.574 -12.271 46 HG2 LYS 19 HG2 LYS 19 -7.980 13.181 -14.298 47 HG3 LYS 19 HG3 LYS 19 -6.490 13.032 -15.238 48 HD2 LYS 19 HD2 LYS 19 -6.318 10.681 -14.608 49 HD3 LYS 19 HD3 LYS 19 -7.806 10.812 -13.667 50 HE2 LYS 19 HE2 LYS 19 -7.540 11.222 -16.651 51 HE3 LYS 19 HE1 LYS 19 -8.175 9.781 -15.874 52 HZ1 LYS 19 HZ1 LYS 19 -9.407 12.497 -15.627 53 HZ2 LYS 19 HZ2 LYS 19 -10.049 11.084 -15.023 54 HZ3 LYS 19 HZ3 LYS 19 -9.922 11.312 -16.684 55 H LYS 20 H LYS 20 -6.374 16.245 -11.193 56 HA LYS 20 HA LYS 20 -4.925 14.995 -9.024 57 HB2 LYS 20 HB2 LYS 20 -3.203 16.368 -10.124 58 HB3 LYS 20 HB3 LYS 20 -4.227 17.795 -9.940 59 HG2 LYS 20 HG2 LYS 20 -4.127 17.549 -7.517 60 HG3 LYS 20 HG3 LYS 20 -3.108 16.126 -7.684 61 HD2 LYS 20 HD2 LYS 20 -1.658 17.941 -7.194 62 HD3 LYS 20 HD3 LYS 20 -1.474 17.634 -8.919 63 HE2 LYS 20 HE2 LYS 20 -2.943 19.475 -9.449 64 HE3 LYS 20 HE1 LYS 20 -3.268 19.748 -7.736 65 HZ1 LYS 20 HZ1 LYS 20 -0.658 20.025 -9.102 66 HZ2 LYS 20 HZ2 LYS 20 -0.888 20.227 -7.451 67 HZ3 LYS 20 HZ3 LYS 20 -1.632 21.303 -8.554 68 H ARG 21 H ARG 21 -5.957 15.350 -7.159 69 HA ARG 21 HA ARG 21 -7.910 17.548 -7.131 70 HB2 ARG 21 HB2 ARG 21 -8.726 15.101 -6.990 71 HB3 ARG 21 HB3 ARG 21 -8.073 15.122 -5.358 72 HG2 ARG 21 HG2 ARG 21 -10.330 15.599 -5.068 73 HG3 ARG 21 HG3 ARG 21 -9.542 17.177 -4.992 74 HD2 ARG 21 HD2 ARG 21 -10.830 16.036 -7.483 75 HD3 ARG 21 HD3 ARG 21 -11.645 17.111 -6.364 76 HE ARG 21 HE ARG 21 -9.304 18.398 -7.140 77 HH11 ARG 21 HH11 ARG 21 -12.267 17.281 -8.728 78 HH12 ARG 21 HH12 ARG 21 -12.175 18.449 -9.964 79 HH21 ARG 21 HH21 ARG 21 -9.188 19.957 -8.820 80 HH22 ARG 21 HH22 ARG 21 -10.390 20.004 -10.039 81 H PHE 22 H PHE 22 -7.820 19.025 -5.422 82 HA PHE 22 HA PHE 22 -5.301 18.892 -3.961 83 HB2 PHE 22 HB2 PHE 22 -5.518 21.311 -3.703 84 HB3 PHE 22 HB3 PHE 22 -5.670 20.840 -5.384 85 HD1 PHE 22 HD2 PHE 22 -7.871 20.930 -6.499 86 HD2 PHE 22 HD3 PHE 22 -7.315 22.365 -2.541 87 HE1 PHE 22 HE2 PHE 22 -9.990 22.164 -6.657 88 HE2 PHE 22 HE1 PHE 22 -9.441 23.611 -2.692 89 HZ PHE 22 HZ PHE 22 -10.773 23.512 -4.760 90 H GLU 23 H GLU 23 -8.471 18.202 -3.278 91 HA GLU 23 HA GLU 23 -8.738 19.457 -0.750 92 HB2 GLU 23 HB2 GLU 23 -10.624 17.960 -0.366 93 HB3 GLU 23 HB3 GLU 23 -10.694 18.658 -1.981 94 HG2 GLU 23 HG2 GLU 23 -9.838 16.552 -2.902 95 HG3 GLU 23 HG3 GLU 23 -9.818 15.868 -1.272 96 H VAL 24 H VAL 24 -8.659 18.495 1.351 97 HA VAL 24 HA VAL 24 -6.300 16.826 1.570 98 HB VAL 24 HB VAL 24 -8.013 18.095 3.730 99 HG11 VAL 24 HG11 VAL 24 -5.227 16.967 3.924 100 HG12 VAL 24 HG12 VAL 24 -6.685 16.164 4.475 101 HG13 VAL 24 HG13 VAL 24 -6.182 17.678 5.233 102 HG21 VAL 24 HG21 VAL 24 -7.048 19.832 2.344 103 HG22 VAL 24 HG22 VAL 24 -5.469 19.068 2.445 104 HG23 VAL 24 HG23 VAL 24 -6.196 19.773 3.883 105 H LYS 25 H LYS 25 -6.532 14.668 1.598 106 HA LYS 25 HA LYS 25 -8.960 13.603 2.873 107 HB2 LYS 25 HB2 LYS 25 -8.464 13.174 0.316 108 HB3 LYS 25 HB3 LYS 25 -7.285 12.045 0.937 109 HG2 LYS 25 HG2 LYS 25 -9.312 10.875 0.394 110 HG3 LYS 25 HG3 LYS 25 -9.069 10.856 2.145 111 HD2 LYS 25 HD2 LYS 25 -11.408 11.322 1.607 112 HD3 LYS 25 HD3 LYS 25 -10.680 12.727 2.371 113 HE2 LYS 25 HE2 LYS 25 -10.357 13.753 0.164 114 HE3 LYS 25 HE1 LYS 25 -11.091 12.342 -0.596 115 HZ1 LYS 25 HZ1 LYS 25 -12.496 14.010 1.407 116 HZ2 LYS 25 HZ2 LYS 25 -13.187 12.908 0.284 117 HZ3 LYS 25 HZ3 LYS 25 -12.508 14.357 -0.239 118 H LYS 26 H LYS 26 -8.600 12.588 4.750 119 HA LYS 26 HA LYS 26 -5.826 12.019 5.442 120 HB2 LYS 26 HB2 LYS 26 -8.286 12.326 7.144 121 HB3 LYS 26 HB3 LYS 26 -6.708 11.868 7.777 122 HG2 LYS 26 HG2 LYS 26 -5.808 14.011 7.030 123 HG3 LYS 26 HG3 LYS 26 -7.375 14.462 6.364 124 HD2 LYS 26 HD2 LYS 26 -7.129 15.498 8.526 125 HD3 LYS 26 HD3 LYS 26 -8.341 14.231 8.665 126 HE2 LYS 26 HE2 LYS 26 -6.627 12.730 9.628 127 HE3 LYS 26 HE1 LYS 26 -5.429 14.015 9.456 128 HZ1 LYS 26 HZ1 LYS 26 -7.832 14.085 11.202 129 HZ2 LYS 26 HZ2 LYS 26 -6.718 15.355 11.019 130 HZ3 LYS 26 HZ3 LYS 26 -6.232 13.876 11.675 131 H SER 27 H SER 27 -5.228 10.035 4.952 132 HA SER 27 HA SER 27 -6.957 7.843 5.827 133 HB2 SER 27 HB2 SER 27 -4.715 7.820 3.802 134 HB3 SER 27 HB3 SER 27 -5.698 6.436 4.258 135 HG SER 27 HG SER 27 -7.341 8.397 3.623 136 H ASN 28 H ASN 28 -6.359 7.811 7.908 137 HA ASN 28 HA ASN 28 -3.490 7.551 8.519 138 HB2 ASN 28 HB2 ASN 28 -5.779 8.548 10.216 139 HB3 ASN 28 HB3 ASN 28 -4.176 8.218 10.853 140 HD21 ASN 28 HD21 ASN 28 -4.070 10.404 11.496 141 HD22 ASN 28 HD22 ASN 28 -3.712 11.660 10.368 142 H ALA 29 H ALA 29 -6.677 6.217 8.978 143 HA ALA 29 HA ALA 29 -5.849 4.165 10.808 144 HB1 ALA 29 HB1 ALA 29 -8.112 3.253 10.450 145 HB2 ALA 29 HB2 ALA 29 -8.361 4.418 9.152 146 HB3 ALA 29 HB3 ALA 29 -8.146 4.982 10.809 147 H SER 30 H SER 30 -4.200 3.033 9.906 148 HA SER 30 HA SER 30 -4.285 2.166 7.178 149 HB2 SER 30 HB2 SER 30 -2.262 1.493 9.316 150 HB3 SER 30 HB3 SER 30 -2.040 1.426 7.571 151 HG SER 30 HG SER 30 -2.914 3.827 8.627 152 H ALA 31 H ALA 31 -4.284 0.000 6.444 153 HA ALA 31 HA ALA 31 -5.690 -1.823 8.235 154 HB1 ALA 31 HB1 ALA 31 -6.715 -1.370 6.057 155 HB2 ALA 31 HB2 ALA 31 -6.234 -3.052 6.198 156 HB3 ALA 31 HB3 ALA 31 -5.258 -1.939 5.245 157 H GLN 32 H GLN 32 -4.875 -3.811 8.763 158 HA GLN 32 HA GLN 32 -2.078 -4.248 8.003 159 HB2 GLN 32 HB2 GLN 32 -3.575 -5.132 10.480 160 HB3 GLN 32 HB3 GLN 32 -1.931 -5.595 10.078 161 HG2 GLN 32 HG2 GLN 32 -1.219 -3.280 10.224 162 HG3 GLN 32 HG3 GLN 32 -2.876 -2.785 10.569 163 HE21 GLN 32 HE21 GLN 32 0.020 -4.208 11.826 164 HE22 GLN 32 HE22 GLN 32 -0.512 -4.283 13.462 165 H SER 33 H SER 33 -2.192 -5.554 6.277 166 HA SER 33 HA SER 33 -3.957 -7.880 6.335 167 HB2 SER 33 HB2 SER 33 -2.104 -6.985 4.115 168 HB3 SER 33 HB3 SER 33 -3.534 -8.023 4.007 169 HG SER 33 HG SER 33 -4.710 -6.068 4.785 170 H ALA 34 H ALA 34 -3.104 -9.755 7.015 171 HA ALA 34 HA ALA 34 -0.230 -9.818 7.471 172 HB1 ALA 34 HB1 ALA 34 -0.619 -11.701 8.930 173 HB2 ALA 34 HB2 ALA 34 -2.301 -11.807 8.415 174 HB3 ALA 34 HB3 ALA 34 -1.742 -10.403 9.334 175 H TRP 35 H TRP 35 0.238 -9.974 5.253 176 HA TRP 35 HA TRP 35 0.328 -12.752 4.364 177 HB2 TRP 35 HB2 TRP 35 -0.450 -10.411 2.592 178 HB3 TRP 35 HB3 TRP 35 -0.126 -12.030 2.007 179 HD1 TRP 35 HD TRP 35 -2.875 -9.824 2.996 180 HE1 TRP 35 HE1 TRP 35 -5.062 -11.118 3.297 181 HE3 TRP 35 HE3 TRP 35 -0.979 -14.578 3.102 182 HZ2 TRP 35 HZ2 TRP 35 -5.888 -13.817 3.560 183 HZ3 TRP 35 HZ3 TRP 35 -2.538 -16.459 3.389 184 HH2 TRP 35 HH TRP 35 -4.939 -16.080 3.610 185 H ASP 36 H ASP 36 1.320 -10.573 1.991 186 HA ASP 36 HA ASP 36 3.874 -9.910 3.109 187 HB2 ASP 36 HB2 ASP 36 5.248 -11.029 1.473 188 HB3 ASP 36 HB3 ASP 36 4.236 -12.243 2.241 189 H ILE 37 H ILE 37 5.214 -8.748 1.227 190 HA ILE 37 HA ILE 37 3.311 -6.918 0.102 191 HB ILE 37 HB ILE 37 5.162 -5.420 -0.275 192 HG12 ILE 37 HG12 ILE 37 7.013 -7.005 -0.811 193 HG13 ILE 37 HG11 ILE 37 7.446 -5.870 0.439 194 HG21 ILE 37 HG21 ILE 37 4.133 -5.263 1.843 195 HG22 ILE 37 HG22 ILE 37 5.868 -5.021 2.065 196 HG23 ILE 37 HG23 ILE 37 5.133 -6.561 2.495 197 HD11 ILE 37 HD11 ILE 37 6.773 -8.772 0.826 198 HD12 ILE 37 HD31 ILE 37 8.349 -8.001 0.957 199 HD13 ILE 37 HD21 ILE 37 7.093 -7.627 2.131 200 H VAL 38 H VAL 38 2.788 -6.855 -1.937 201 HA VAL 38 HA VAL 38 4.471 -8.242 -3.897 202 HB VAL 38 HB VAL 38 1.429 -8.292 -3.762 203 HG11 VAL 38 HG11 VAL 38 1.566 -9.887 -5.608 204 HG12 VAL 38 HG12 VAL 38 3.316 -9.687 -5.634 205 HG13 VAL 38 HG13 VAL 38 2.274 -8.332 -6.043 206 HG21 VAL 38 HG21 VAL 38 1.607 -10.645 -3.233 207 HG22 VAL 38 HG22 VAL 38 2.504 -9.710 -2.026 208 HG23 VAL 38 HG23 VAL 38 3.359 -10.561 -3.312 209 H VAL 39 H VAL 39 4.653 -7.096 -5.877 210 HA VAL 39 HA VAL 39 3.949 -4.332 -5.596 211 HB VAL 39 HB VAL 39 5.314 -5.594 -7.987 212 HG11 VAL 39 HG11 VAL 39 5.268 -2.732 -7.003 213 HG12 VAL 39 HG12 VAL 39 4.450 -3.347 -8.434 214 HG13 VAL 39 HG13 VAL 39 6.208 -3.331 -8.367 215 HG21 VAL 39 HG21 VAL 39 6.518 -6.097 -5.936 216 HG22 VAL 39 HG22 VAL 39 6.544 -4.389 -5.507 217 HG23 VAL 39 HG23 VAL 39 7.422 -4.957 -6.931 218 H ASP 40 H ASP 40 1.695 -5.246 -5.578 219 HA ASP 40 HA ASP 40 0.496 -3.747 -7.634 220 HB2 ASP 40 HB2 ASP 40 -1.070 -5.328 -8.594 221 HB3 ASP 40 HB3 ASP 40 0.542 -5.975 -8.812 222 H ASN 41 H ASN 41 0.892 -3.985 -4.716 223 HA ASN 41 HA ASN 41 -1.765 -3.008 -4.242 224 HB2 ASN 41 HB2 ASN 41 -1.963 -3.992 -2.082 225 HB3 ASN 41 HB3 ASN 41 -1.608 -5.328 -3.170 226 HD21 ASN 41 HD21 ASN 41 -0.563 -3.388 -0.485 227 HD22 ASN 41 HD22 ASN 41 0.808 -4.359 -0.069 228 H CYS 42 H CYS 42 -1.764 -1.480 -2.479 229 HA CYS 42 HA CYS 42 0.692 0.069 -2.414 230 HB2 CYS 42 HB2 CYS 42 -1.714 1.010 -2.637 231 HB3 CYS 42 HB3 CYS 42 -1.904 0.571 -0.968 232 H ALA 43 H ALA 43 2.095 -0.238 -0.795 233 HA ALA 43 HA ALA 43 1.264 -1.955 1.420 234 HB1 ALA 43 HB1 ALA 43 3.652 -1.997 2.017 235 HB2 ALA 43 HB2 ALA 43 3.983 -0.842 0.728 236 HB3 ALA 43 HB3 ALA 43 3.382 -2.455 0.336 237 H ILE 44 H ILE 44 1.570 1.282 0.693 238 HA ILE 44 HA ILE 44 2.539 2.305 3.162 239 HB ILE 44 HB ILE 44 0.987 3.667 0.960 240 HG12 ILE 44 HG12 ILE 44 3.963 3.381 1.411 241 HG13 ILE 44 HG11 ILE 44 3.008 2.503 0.245 242 HG21 ILE 44 HG21 ILE 44 2.825 4.837 3.082 243 HG22 ILE 44 HG22 ILE 44 1.066 4.929 3.114 244 HG23 ILE 44 HG23 ILE 44 1.958 5.742 1.833 245 HD11 ILE 44 HD11 ILE 44 3.409 5.473 0.242 246 HD12 ILE 44 HD31 ILE 44 4.213 4.316 -0.809 247 HD13 ILE 44 HD21 ILE 44 2.471 4.554 -0.930 248 H CYS 45 H CYS 45 -0.682 2.107 1.719 249 HA CYS 45 HA CYS 45 -1.942 2.619 4.314 250 HB2 CYS 45 HB2 CYS 45 -4.042 2.447 2.979 251 HB3 CYS 45 HB3 CYS 45 -2.961 3.713 2.368 252 H ARG 46 H ARG 46 -1.071 0.262 2.102 253 HA ARG 46 HA ARG 46 -1.183 -1.817 1.831 254 HB2 ARG 46 HB2 ARG 46 -0.125 -2.013 3.945 255 HB3 ARG 46 HB3 ARG 46 -1.654 -1.971 4.802 256 HG2 ARG 46 HG2 ARG 46 -2.214 -4.160 4.084 257 HG3 ARG 46 HG3 ARG 46 -0.936 -4.148 2.866 258 HD2 ARG 46 HD2 ARG 46 -0.416 -5.493 4.910 259 HD3 ARG 46 HD3 ARG 46 0.763 -4.240 4.534 260 HE ARG 46 HE ARG 46 -1.193 -3.285 6.333 261 HH11 ARG 46 HH11 ARG 46 1.652 -5.386 6.169 262 HH12 ARG 46 HH12 ARG 46 2.186 -5.071 7.750 263 HH21 ARG 46 HH21 ARG 46 -0.450 -2.813 8.521 264 HH22 ARG 46 HH22 ARG 46 0.947 -3.583 9.132 265 H ASN 47 H ASN 47 -2.941 -0.891 0.650 266 HA ASN 47 HA ASN 47 -5.033 -2.952 0.786 267 HB2 ASN 47 HB2 ASN 47 -5.795 -0.452 1.310 268 HB3 ASN 47 HB3 ASN 47 -5.652 -0.270 -0.431 269 HD21 ASN 47 HD21 ASN 47 -7.906 0.020 -0.791 270 HD22 ASN 47 HD22 ASN 47 -8.986 -1.291 -0.557 271 H HIS 48 H HIS 48 -6.122 -2.726 -1.714 272 HA HIS 48 HA HIS 48 -3.910 -3.743 -3.222 273 HB2 HIS 48 HB2 HIS 48 -6.291 -4.627 -3.336 274 HB3 HIS 48 HB3 HIS 48 -6.649 -3.274 -4.404 275 HD2 HIS 48 HD2 HIS 48 -3.907 -6.123 -4.418 276 HE1 HIS 48 HE1 HIS 48 -5.226 -5.426 -8.383 277 HE2 HIS 48 HE2 HIS 48 -3.472 -6.478 -6.913 278 H ILE 49 H ILE 49 -3.581 -3.123 -5.675 279 HA ILE 49 HA ILE 49 -2.211 -0.753 -5.399 280 HB ILE 49 HB ILE 49 -1.300 -2.424 -6.828 281 HG12 ILE 49 HG12 ILE 49 -0.749 -1.105 -8.852 282 HG13 ILE 49 HG11 ILE 49 -2.087 -0.048 -8.499 283 HG21 ILE 49 HG21 ILE 49 -3.306 -3.467 -7.693 284 HG22 ILE 49 HG22 ILE 49 -2.267 -2.993 -9.036 285 HG23 ILE 49 HG23 ILE 49 -3.681 -2.029 -8.642 286 HD11 ILE 49 HD11 ILE 49 0.283 -0.411 -6.688 287 HD12 ILE 49 HD31 ILE 49 0.020 0.936 -7.819 288 HD13 ILE 49 HD21 ILE 49 -1.105 0.687 -6.503 289 H MET 50 H MET 50 -5.133 -1.374 -7.375 290 HA MET 50 HA MET 50 -5.212 1.485 -7.661 291 HB2 MET 50 HB2 MET 50 -4.121 0.731 -9.587 292 HB3 MET 50 HB3 MET 50 -5.287 -0.489 -9.970 293 HG2 MET 50 HG2 MET 50 -6.919 1.327 -10.456 294 HG3 MET 50 HG3 MET 50 -5.685 2.514 -10.037 295 HE1 MET 50 HE1 MET 50 -6.925 -0.140 -12.657 296 HE2 MET 50 HE2 MET 50 -5.440 -0.879 -12.052 297 HE3 MET 50 HE3 MET 50 -5.515 -0.285 -13.708 298 H ASP 51 H ASP 51 -6.749 1.605 -6.227 299 HA ASP 51 HA ASP 51 -9.438 1.367 -6.923 300 HB2 ASP 51 HB2 ASP 51 -8.780 -1.076 -6.291 301 HB3 ASP 51 HB3 ASP 51 -8.548 -0.469 -4.660 302 H LEU 52 H LEU 52 -10.422 1.507 -4.289 303 HA LEU 52 HA LEU 52 -9.447 4.042 -3.430 304 HB2 LEU 52 HB2 LEU 52 -11.461 2.126 -2.294 305 HB3 LEU 52 HB3 LEU 52 -11.071 3.666 -1.556 306 HG LEU 52 HG LEU 52 -12.119 3.461 -4.389 307 HD11 LEU 52 HD11 LEU 52 -14.299 3.793 -3.581 308 HD12 LEU 52 HD12 LEU 52 -13.711 4.355 -2.048 309 HD13 LEU 52 HD13 LEU 52 -13.650 2.619 -2.414 310 HD21 LEU 52 HD21 LEU 52 -10.914 5.510 -3.888 311 HD22 LEU 52 HD22 LEU 52 -11.806 5.645 -2.375 312 HD23 LEU 52 HD23 LEU 52 -12.662 5.842 -3.901 313 H CYS 53 H CYS 53 -8.345 4.534 -1.506 314 HA CYS 53 HA CYS 53 -6.560 2.554 -0.444 315 HB2 CYS 53 HB2 CYS 53 -7.156 5.297 0.691 316 HB3 CYS 53 HB3 CYS 53 -5.706 4.328 0.912 317 H ILE 54 H ILE 54 -6.394 2.900 2.112 318 HA ILE 54 HA ILE 54 -8.127 1.249 3.408 319 HB ILE 54 HB ILE 54 -7.417 2.607 5.513 320 HG12 ILE 54 HG12 ILE 54 -5.652 3.806 3.347 321 HG13 ILE 54 HG11 ILE 54 -6.716 4.662 4.375 322 HG21 ILE 54 HG21 ILE 54 -5.495 1.144 3.748 323 HG22 ILE 54 HG22 ILE 54 -6.621 0.468 4.954 324 HG23 ILE 54 HG23 ILE 54 -5.281 1.504 5.472 325 HD11 ILE 54 HD11 ILE 54 -4.271 3.232 5.309 326 HD12 ILE 54 HD31 ILE 54 -4.486 4.975 5.088 327 HD13 ILE 54 HD21 ILE 54 -5.426 4.125 6.322 328 H GLU 55 H GLU 55 -8.221 4.602 4.483 329 HA GLU 55 HA GLU 55 -10.927 4.336 5.219 330 HB2 GLU 55 HB2 GLU 55 -9.296 6.822 4.932 331 HB3 GLU 55 HB3 GLU 55 -10.814 6.725 5.764 332 HG2 GLU 55 HG2 GLU 55 -9.658 4.872 7.231 333 HG3 GLU 55 HG3 GLU 55 -8.210 5.486 6.524 334 H CYS 56 H CYS 56 -9.285 5.319 2.411 335 HA CYS 56 HA CYS 56 -11.174 7.097 1.336 336 HB2 CYS 56 HB2 CYS 56 -9.240 5.304 -0.098 337 HB3 CYS 56 HB3 CYS 56 -10.174 6.553 -0.892 338 H GLN 57 H GLN 57 -10.981 3.574 1.056 339 HA GLN 57 HA GLN 57 -13.120 3.289 -0.710 340 HB2 GLN 57 HB2 GLN 57 -13.416 0.990 0.202 341 HB3 GLN 57 HB3 GLN 57 -11.778 1.361 -0.334 342 HG2 GLN 57 HG2 GLN 57 -11.186 1.806 1.912 343 HG3 GLN 57 HG3 GLN 57 -12.782 1.372 2.499 344 HE21 GLN 57 HE21 GLN 57 -12.093 -0.426 3.721 345 HE22 GLN 57 HE22 GLN 57 -11.442 -1.862 3.014 346 H ALA 58 H ALA 58 -13.162 3.480 2.742 347 HA ALA 58 HA ALA 58 -16.021 3.307 2.999 348 HB1 ALA 58 HB1 ALA 58 -15.634 4.183 5.296 349 HB2 ALA 58 HB2 ALA 58 -13.920 4.380 4.893 350 HB3 ALA 58 HB3 ALA 58 -14.656 2.775 4.903 351 H ASN 59 H ASN 59 -13.676 5.871 2.679 352 HA ASN 59 HA ASN 59 -15.223 8.118 3.231 353 HB2 ASN 59 HB2 ASN 59 -12.666 7.742 2.937 354 HB3 ASN 59 HB3 ASN 59 -13.009 8.073 1.246 355 HD21 ASN 59 HD21 ASN 59 -12.869 9.323 4.418 356 HD22 ASN 59 HD22 ASN 59 -12.944 10.986 4.007 357 H GLN 60 H GLN 60 -14.629 6.346 0.226 358 HA GLN 60 HA GLN 60 -15.356 6.512 -1.857 359 HB2 GLN 60 HB2 GLN 60 -17.568 8.116 -0.597 360 HB3 GLN 60 HB3 GLN 60 -17.553 7.736 -2.322 361 HG2 GLN 60 HG2 GLN 60 -17.599 5.757 -0.056 362 HG3 GLN 60 HG3 GLN 60 -18.991 6.217 -1.037 363 HE21 GLN 60 HE21 GLN 60 -17.661 3.607 -0.643 364 HE22 GLN 60 HE22 GLN 60 -17.234 3.052 -2.214 365 H ALA 61 H ALA 61 -13.630 7.478 -2.634 366 HA ALA 61 HA ALA 61 -12.890 10.145 -2.184 367 HB1 ALA 61 HB1 ALA 61 -11.182 9.802 -3.869 368 HB2 ALA 61 HB2 ALA 61 -12.017 8.363 -4.458 369 HB3 ALA 61 HB3 ALA 61 -11.318 8.379 -2.836 370 H SER 62 H SER 62 -13.187 11.991 -3.259 371 HA SER 62 HA SER 62 -15.583 12.403 -4.589 372 HB2 SER 62 HB2 SER 62 -13.153 14.179 -4.593 373 HB3 SER 62 HB3 SER 62 -14.831 14.670 -4.812 374 HG SER 62 HG SER 62 -13.798 14.900 -2.687 375 H ALA 63 H ALA 63 -12.280 12.107 -5.869 376 HA ALA 63 HA ALA 63 -13.105 12.879 -8.506 377 HB1 ALA 63 HB1 ALA 63 -10.808 12.565 -9.154 378 HB2 ALA 63 HB2 ALA 63 -10.477 11.662 -7.678 379 HB3 ALA 63 HB3 ALA 63 -10.838 13.389 -7.588 380 H THR 64 H THR 64 -11.324 9.916 -7.594 381 HA THR 64 HA THR 64 -13.180 8.414 -9.281 382 HB THR 64 HB THR 64 -10.192 7.935 -9.084 383 HG1 THR 64 HG3 THR 64 -11.784 9.290 -11.015 384 HG21 THR 64 HG21 THR 64 -12.255 6.947 -11.057 385 HG22 THR 64 HG22 THR 64 -11.660 6.014 -9.689 386 HG23 THR 64 HG23 THR 64 -10.560 6.464 -10.988 387 H SER 65 H SER 65 -13.995 6.609 -8.309 388 HA SER 65 HA SER 65 -12.691 5.734 -5.820 389 HB2 SER 65 HB2 SER 65 -15.509 5.308 -6.788 390 HB3 SER 65 HB3 SER 65 -14.857 4.755 -5.238 391 HG SER 65 HG SER 65 -14.414 7.408 -5.679 392 H GLU 66 H GLU 66 -13.201 4.995 -9.021 393 HA GLU 66 HA GLU 66 -13.066 2.175 -9.057 394 HB2 GLU 66 HB2 GLU 66 -13.451 3.879 -10.952 395 HB3 GLU 66 HB3 GLU 66 -11.712 4.071 -10.967 396 HG2 GLU 66 HG2 GLU 66 -12.301 2.554 -12.705 397 HG3 GLU 66 HG3 GLU 66 -11.487 1.641 -11.443 398 H GLU 67 H GLU 67 -10.756 4.802 -8.718 399 HA GLU 67 HA GLU 67 -8.873 3.220 -7.334 400 HB2 GLU 67 HB2 GLU 67 -7.018 4.084 -8.736 401 HB3 GLU 67 HB3 GLU 67 -8.039 2.983 -9.640 402 HG2 GLU 67 HG2 GLU 67 -9.135 4.871 -10.722 403 HG3 GLU 67 HG3 GLU 67 -8.172 5.998 -9.794 404 H CYS 68 H CYS 68 -8.298 4.499 -5.704 405 HA CYS 68 HA CYS 68 -9.234 7.130 -5.344 406 HB2 CYS 68 HB2 CYS 68 -8.433 5.827 -3.437 407 HB3 CYS 68 HB3 CYS 68 -6.810 5.770 -4.080 408 H THR 69 H THR 69 -5.787 6.515 -5.511 409 HA THR 69 HA THR 69 -5.424 7.843 -8.030 410 HB THR 69 HB THR 69 -3.593 9.292 -7.006 411 HG1 THR 69 HG3 THR 69 -5.211 8.967 -4.733 412 HG21 THR 69 HG21 THR 69 -5.572 10.374 -7.885 413 HG22 THR 69 HG22 THR 69 -5.136 11.154 -6.360 414 HG23 THR 69 HG23 THR 69 -6.466 10.000 -6.413 415 H VAL 70 H VAL 70 -3.451 7.112 -8.978 416 HA VAL 70 HA VAL 70 -1.772 5.384 -7.280 417 HB VAL 70 HB VAL 70 -3.469 3.985 -8.468 418 HG11 VAL 70 HG11 VAL 70 -2.077 4.909 -10.950 419 HG12 VAL 70 HG12 VAL 70 -3.735 5.276 -10.470 420 HG13 VAL 70 HG13 VAL 70 -3.278 3.611 -10.870 421 HG21 VAL 70 HG21 VAL 70 -1.442 2.921 -7.787 422 HG22 VAL 70 HG22 VAL 70 -0.578 3.597 -9.154 423 HG23 VAL 70 HG23 VAL 70 -1.813 2.360 -9.423 424 H ALA 71 H ALA 71 0.372 5.219 -7.835 425 HA ALA 71 HA ALA 71 1.283 6.673 -10.198 426 HB1 ALA 71 HB1 ALA 71 2.996 7.798 -8.903 427 HB2 ALA 71 HB2 ALA 71 2.417 7.029 -7.427 428 HB3 ALA 71 HB3 ALA 71 1.411 8.212 -8.251 429 H TRP 72 H TRP 72 3.048 5.821 -11.158 430 HA TRP 72 HA TRP 72 3.908 3.277 -10.069 431 HB2 TRP 72 HB2 TRP 72 4.532 4.454 -12.731 432 HB3 TRP 72 HB3 TRP 72 4.716 2.805 -12.244 433 HD1 TRP 72 HD TRP 72 2.742 4.489 -14.560 434 HE1 TRP 72 HE1 TRP 72 0.355 3.514 -14.877 435 HE3 TRP 72 HE3 TRP 72 2.419 1.789 -10.303 436 HZ2 TRP 72 HZ2 TRP 72 -1.394 1.823 -13.509 437 HZ3 TRP 72 HZ3 TRP 72 0.317 0.485 -9.861 438 HH2 TRP 72 HH TRP 72 -1.528 0.530 -11.430 439 H GLY 73 H GLY 73 6.036 2.882 -9.744 440 HA2 GLY 73 HA2 GLY 73 7.746 5.237 -9.457 441 HA3 GLY 73 HA3 GLY 73 7.906 3.700 -8.618 442 H VAL 74 H VAL 74 9.633 5.383 -10.491 443 HA VAL 74 HA VAL 74 10.182 3.845 -12.808 444 HB VAL 74 HB VAL 74 12.135 5.591 -11.262 445 HG11 VAL 74 HG11 VAL 74 13.307 5.863 -13.402 446 HG12 VAL 74 HG12 VAL 74 12.199 4.703 -14.136 447 HG13 VAL 74 HG13 VAL 74 13.299 4.185 -12.861 448 HG21 VAL 74 HG21 VAL 74 10.296 6.323 -13.536 449 HG22 VAL 74 HG22 VAL 74 11.488 7.395 -12.783 450 HG23 VAL 74 HG23 VAL 74 10.108 6.799 -11.852 451 H CYS 75 H CYS 75 10.861 3.448 -9.549 452 HA CYS 75 HA CYS 75 13.065 1.627 -9.696 453 HB2 CYS 75 HB2 CYS 75 12.532 3.190 -7.800 454 HB3 CYS 75 HB3 CYS 75 11.158 2.173 -7.412 455 H ASN 76 H ASN 76 10.350 1.086 -11.093 456 HA ASN 76 HA ASN 76 9.013 -0.604 -11.644 457 HB2 ASN 76 HB2 ASN 76 11.213 -1.804 -11.861 458 HB3 ASN 76 HB3 ASN 76 10.991 -2.393 -10.213 459 HD21 ASN 76 HD21 ASN 76 11.005 -4.571 -10.985 460 HD22 ASN 76 HD22 ASN 76 9.627 -5.231 -11.792 461 H HIS 77 H HIS 77 8.341 0.806 -9.545 462 HA HIS 77 HA HIS 77 7.085 -1.173 -7.848 463 HB2 HIS 77 HB2 HIS 77 8.563 1.228 -7.031 464 HB3 HIS 77 HB3 HIS 77 7.098 0.847 -6.102 465 HD2 HIS 77 HD2 HIS 77 7.572 -2.448 -6.197 466 HE1 HIS 77 HE1 HIS 77 11.044 -1.490 -3.983 467 HE2 HIS 77 HE2 HIS 77 9.583 -3.334 -4.865 468 H ALA 78 H ALA 78 5.058 -0.487 -6.780 469 HA ALA 78 HA ALA 78 3.636 1.548 -8.273 470 HB1 ALA 78 HB1 ALA 78 1.774 -0.027 -8.564 471 HB2 ALA 78 HB2 ALA 78 2.766 -1.303 -7.856 472 HB3 ALA 78 HB3 ALA 78 3.234 -0.585 -9.396 473 H PHE 79 H PHE 79 2.629 2.840 -6.816 474 HA PHE 79 HA PHE 79 1.475 1.657 -4.423 475 HB2 PHE 79 HB2 PHE 79 3.246 4.100 -4.446 476 HB3 PHE 79 HB3 PHE 79 2.298 3.590 -3.057 477 HD1 PHE 79 HD2 PHE 79 2.986 1.403 -1.893 478 HD2 PHE 79 HD3 PHE 79 5.320 3.182 -4.975 479 HE1 PHE 79 HE2 PHE 79 4.969 -0.007 -1.243 480 HE2 PHE 79 HE1 PHE 79 7.249 1.800 -4.316 481 HZ PHE 79 HZ PHE 79 7.067 0.236 -2.469 482 H HIS 80 H HIS 80 -0.001 3.408 -3.358 483 HA HIS 80 HA HIS 80 -1.575 4.619 -5.420 484 HB2 HIS 80 HB2 HIS 80 -1.617 4.661 -2.429 485 HB3 HIS 80 HB3 HIS 80 -2.597 5.773 -3.350 486 HD2 HIS 80 HD2 HIS 80 -3.653 3.478 -5.563 487 HE1 HIS 80 HE1 HIS 80 -5.323 1.694 -2.107 488 HE2 HIS 80 HE2 HIS 80 -4.938 1.491 -4.531 489 H PHE 81 H PHE 81 -1.504 6.707 -6.056 490 HA PHE 81 HA PHE 81 0.788 8.238 -5.545 491 HB2 PHE 81 HB2 PHE 81 -0.562 8.597 -7.567 492 HB3 PHE 81 HB3 PHE 81 -1.892 9.130 -6.546 493 HD1 PHE 81 HD3 PHE 81 1.663 9.981 -7.303 494 HD2 PHE 81 HD2 PHE 81 -2.196 11.406 -6.193 495 HE1 PHE 81 HE1 PHE 81 2.479 12.281 -7.441 496 HE2 PHE 81 HE2 PHE 81 -1.371 13.720 -6.329 497 HZ PHE 81 HZ PHE 81 0.963 14.164 -6.947 498 H HIS 82 H HIS 82 -2.413 8.281 -4.181 499 HA HIS 82 HA HIS 82 -2.214 10.537 -2.525 500 HB2 HIS 82 HB2 HIS 82 -4.317 9.311 -2.945 501 HB3 HIS 82 HB3 HIS 82 -3.693 7.929 -2.076 502 HD2 HIS 82 HD2 HIS 82 -3.006 11.171 -0.233 503 HE1 HIS 82 HE1 HIS 82 -6.534 9.536 1.469 504 HE2 HIS 82 HE2 HIS 82 -4.831 11.409 1.577 505 H CYS 83 H CYS 83 -1.435 7.113 -1.838 506 HA CYS 83 HA CYS 83 -0.628 7.660 0.818 507 HB2 CYS 83 HB2 CYS 83 -0.139 5.198 -0.860 508 HB3 CYS 83 HB3 CYS 83 -0.024 5.372 0.882 509 H ILE 84 H ILE 84 1.104 7.033 -2.235 510 HA ILE 84 HA ILE 84 3.626 7.028 -0.997 511 HB ILE 84 HB ILE 84 3.235 6.126 -3.350 512 HG12 ILE 84 HG12 ILE 84 5.386 6.991 -4.280 513 HG13 ILE 84 HG11 ILE 84 5.441 8.142 -2.975 514 HG21 ILE 84 HG21 ILE 84 3.430 8.982 -4.182 515 HG22 ILE 84 HG22 ILE 84 1.935 8.047 -4.055 516 HG23 ILE 84 HG23 ILE 84 3.182 7.547 -5.219 517 HD11 ILE 84 HD11 ILE 84 5.487 5.140 -2.657 518 HD12 ILE 84 HD31 ILE 84 6.872 6.228 -2.551 519 HD13 ILE 84 HD21 ILE 84 5.585 6.327 -1.350 520 H SER 85 H SER 85 1.662 9.634 -2.276 521 HA SER 85 HA SER 85 3.549 11.700 -2.040 522 HB2 SER 85 HB2 SER 85 0.553 11.782 -1.655 523 HB3 SER 85 HB3 SER 85 1.564 13.218 -1.779 524 HG SER 85 HG SER 85 0.974 11.256 -3.706 525 H ARG 86 H ARG 86 1.212 10.441 0.360 526 HA ARG 86 HA ARG 86 2.098 12.034 2.497 527 HB2 ARG 86 HB2 ARG 86 0.730 9.371 2.411 528 HB3 ARG 86 HB3 ARG 86 1.164 10.149 3.927 529 HG2 ARG 86 HG2 ARG 86 -0.203 12.065 3.330 530 HG3 ARG 86 HG3 ARG 86 -0.622 11.290 1.802 531 HD2 ARG 86 HD2 ARG 86 -1.859 9.619 2.850 532 HD3 ARG 86 HD3 ARG 86 -1.121 9.934 4.427 533 HE ARG 86 HE ARG 86 -2.934 11.791 3.081 534 HH11 ARG 86 HH11 ARG 86 -1.893 10.009 5.982 535 HH12 ARG 86 HH12 ARG 86 -2.845 10.927 7.054 536 HH21 ARG 86 HH21 ARG 86 -4.192 13.102 4.608 537 HH22 ARG 86 HH22 ARG 86 -4.118 12.747 6.287 538 H TRP 87 H TRP 87 3.158 8.919 1.309 539 HA TRP 87 HA TRP 87 4.876 8.222 3.385 540 HB2 TRP 87 HB2 TRP 87 4.188 6.666 1.681 541 HB3 TRP 87 HB3 TRP 87 4.946 7.657 0.435 542 HD1 TRP 87 HD TRP 87 7.363 7.054 -0.172 543 HE1 TRP 87 HE1 TRP 87 9.135 5.552 0.834 544 HE3 TRP 87 HE3 TRP 87 4.941 5.800 4.115 545 HZ2 TRP 87 HZ2 TRP 87 9.491 3.996 3.200 546 HZ3 TRP 87 HZ3 TRP 87 6.055 4.292 5.735 547 HH2 TRP 87 HH TRP 87 8.290 3.399 5.278 548 H LEU 88 H LEU 88 5.377 9.984 0.402 549 HA LEU 88 HA LEU 88 8.136 10.411 0.782 550 HB2 LEU 88 HB2 LEU 88 6.120 11.636 -1.046 551 HB3 LEU 88 HB3 LEU 88 7.821 12.000 -1.163 552 HG LEU 88 HG LEU 88 6.676 9.235 -1.411 553 HD11 LEU 88 HD11 LEU 88 7.554 11.161 -3.536 554 HD12 LEU 88 HD12 LEU 88 5.894 10.606 -3.168 555 HD13 LEU 88 HD13 LEU 88 7.098 9.456 -3.738 556 HD21 LEU 88 HD21 LEU 88 8.990 9.193 -0.658 557 HD22 LEU 88 HD22 LEU 88 9.465 10.330 -1.914 558 HD23 LEU 88 HD23 LEU 88 8.943 8.714 -2.351 559 H LYS 89 H LYS 89 5.361 12.148 1.844 560 HA LYS 89 HA LYS 89 6.623 14.587 2.498 561 HB2 LYS 89 HB2 LYS 89 4.349 13.152 3.895 562 HB3 LYS 89 HB3 LYS 89 4.875 14.776 4.289 563 HG2 LYS 89 HG2 LYS 89 4.242 15.529 2.041 564 HG3 LYS 89 HG3 LYS 89 3.717 13.886 1.651 565 HD2 LYS 89 HD2 LYS 89 2.083 14.002 3.507 566 HD3 LYS 89 HD3 LYS 89 2.569 15.670 3.801 567 HE2 LYS 89 HE2 LYS 89 1.305 14.590 1.262 568 HE3 LYS 89 HE1 LYS 89 0.515 15.567 2.500 569 HZ1 LYS 89 HZ1 LYS 89 1.117 16.987 0.713 570 HZ2 LYS 89 HZ2 LYS 89 2.670 16.368 0.634 571 HZ3 LYS 89 HZ3 LYS 89 2.219 17.326 1.958 572 H THR 90 H THR 90 6.383 11.479 4.063 573 HA THR 90 HA THR 90 7.912 12.449 6.349 574 HB THR 90 HB THR 90 7.279 10.268 7.396 575 HG1 THR 90 HG3 THR 90 6.714 9.589 4.880 576 HG21 THR 90 HG21 THR 90 4.984 11.831 6.229 577 HG22 THR 90 HG22 THR 90 5.911 12.329 7.645 578 HG23 THR 90 HG23 THR 90 4.932 10.845 7.690 579 H ARG 91 H ARG 91 8.417 10.544 3.486 580 HA ARG 91 HA ARG 91 10.998 9.580 4.472 581 HB2 ARG 91 HB2 ARG 91 8.950 7.917 2.988 582 HB3 ARG 91 HB3 ARG 91 10.580 7.430 3.361 583 HG2 ARG 91 HG2 ARG 91 8.548 8.128 5.463 584 HG3 ARG 91 HG3 ARG 91 8.824 6.500 4.866 585 HD2 ARG 91 HD2 ARG 91 11.091 6.518 5.642 586 HD3 ARG 91 HD3 ARG 91 10.991 8.229 6.056 587 HE ARG 91 HE ARG 91 9.185 7.461 7.650 588 HH11 ARG 91 HH11 ARG 91 11.910 5.320 6.780 589 HH12 ARG 91 HH12 ARG 91 12.012 4.598 8.295 590 HH21 ARG 91 HH21 ARG 91 9.332 6.445 9.764 591 HH22 ARG 91 HH22 ARG 91 10.545 5.262 10.037 592 H GLN 92 H GLN 92 12.476 9.143 2.800 593 HA GLN 92 HA GLN 92 11.854 10.604 0.319 594 HB2 GLN 92 HB2 GLN 92 14.409 10.191 1.809 595 HB3 GLN 92 HB3 GLN 92 14.378 10.788 0.158 596 HG2 GLN 92 HG2 GLN 92 14.558 12.726 1.526 597 HG3 GLN 92 HG3 GLN 92 12.870 12.657 1.054 598 HE21 GLN 92 HE21 GLN 92 12.169 13.865 2.834 599 HE22 GLN 92 HE22 GLN 92 12.201 13.218 4.437 600 H VAL 93 H VAL 93 11.984 7.583 1.340 601 HA VAL 93 HA VAL 93 13.293 6.511 -1.073 602 HB VAL 93 HB VAL 93 14.084 4.593 0.349 603 HG11 VAL 93 HG11 VAL 93 15.163 7.323 1.068 604 HG12 VAL 93 HG12 VAL 93 15.578 6.388 -0.362 605 HG13 VAL 93 HG13 VAL 93 16.020 5.783 1.236 606 HG21 VAL 93 HG21 VAL 93 13.344 6.494 2.539 607 HG22 VAL 93 HG22 VAL 93 14.257 5.007 2.783 608 HG23 VAL 93 HG23 VAL 93 12.574 4.940 2.246 609 H CYS 94 H CYS 94 12.578 4.428 -1.723 610 HA CYS 94 HA CYS 94 9.917 3.758 -1.688 611 HB2 CYS 94 HB2 CYS 94 12.295 1.917 -1.839 612 HB3 CYS 94 HB3 CYS 94 10.662 1.404 -2.197 613 HA PRO 95 HA PRO 95 9.225 2.170 2.529 614 HB2 PRO 95 HB2 PRO 95 7.273 0.491 1.081 615 HB3 PRO 95 HB3 PRO 95 7.015 1.534 2.478 616 HG2 PRO 95 HG2 PRO 95 6.128 2.266 0.084 617 HG3 PRO 95 HG3 PRO 95 6.873 3.462 1.181 618 HD2 PRO 95 HD2 PRO 95 8.012 2.101 -1.223 619 HD3 PRO 95 HD3 PRO 95 8.192 3.783 -0.689 620 H LEU 96 H LEU 96 9.387 0.251 -0.320 621 HA LEU 96 HA LEU 96 9.786 -2.247 1.092 622 HB2 LEU 96 HB2 LEU 96 9.848 -1.730 -1.875 623 HB3 LEU 96 HB3 LEU 96 9.653 -3.273 -1.065 624 HG LEU 96 HG LEU 96 7.651 -1.042 -1.076 625 HD11 LEU 96 HD11 LEU 96 7.614 -3.723 -2.430 626 HD12 LEU 96 HD12 LEU 96 7.920 -2.162 -3.171 627 HD13 LEU 96 HD13 LEU 96 6.327 -2.496 -2.476 628 HD21 LEU 96 HD21 LEU 96 7.553 -2.303 1.032 629 HD22 LEU 96 HD22 LEU 96 7.505 -3.810 0.115 630 HD23 LEU 96 HD23 LEU 96 6.162 -2.672 0.010 631 H ASP 97 H ASP 97 11.572 -0.133 -1.117 632 HA ASP 97 HA ASP 97 13.866 -1.972 -1.051 633 HB2 ASP 97 HB2 ASP 97 13.314 0.498 -2.661 634 HB3 ASP 97 HB3 ASP 97 14.863 -0.338 -2.706 635 H ASN 98 H ASN 98 12.869 1.070 0.259 636 HA ASN 98 HA ASN 98 13.912 2.768 1.335 637 HB2 ASN 98 HB2 ASN 98 15.760 0.512 2.061 638 HB3 ASN 98 HB3 ASN 98 16.007 2.138 2.699 639 HD21 ASN 98 HD21 ASN 98 14.259 -0.808 2.974 640 HD22 ASN 98 HD22 ASN 98 13.224 -0.327 4.280 641 H ARG 99 H ARG 99 14.306 2.381 -1.358 642 HA ARG 99 HA ARG 99 16.966 3.338 -2.040 643 HB2 ARG 99 HB2 ARG 99 16.087 1.218 -3.064 644 HB3 ARG 99 HB3 ARG 99 14.643 2.156 -3.403 645 HG2 ARG 99 HG2 ARG 99 15.691 1.789 -5.312 646 HG3 ARG 99 HG3 ARG 99 15.810 3.508 -4.853 647 HD2 ARG 99 HD2 ARG 99 18.066 1.495 -4.446 648 HD3 ARG 99 HD3 ARG 99 17.940 2.483 -5.893 649 HE ARG 99 HE ARG 99 18.704 3.319 -3.235 650 HH11 ARG 99 HH11 ARG 99 17.798 4.295 -6.543 651 HH12 ARG 99 HH12 ARG 99 18.505 5.829 -6.461 652 HH21 ARG 99 HH21 ARG 99 19.706 5.472 -3.123 653 HH22 ARG 99 HH22 ARG 99 19.622 6.511 -4.476 654 H GLU 100 H GLU 100 16.776 5.077 -3.667 655 HA GLU 100 HA GLU 100 15.059 7.206 -2.869 656 HB2 GLU 100 HB2 GLU 100 17.218 7.558 -4.050 657 HB3 GLU 100 HB3 GLU 100 16.526 6.875 -5.509 658 HG2 GLU 100 HG2 GLU 100 16.498 9.218 -5.791 659 HG3 GLU 100 HG3 GLU 100 14.837 8.751 -5.429 660 H TRP 101 H TRP 101 12.884 7.468 -3.280 661 HA TRP 101 HA TRP 101 11.639 5.830 -5.254 662 HB2 TRP 101 HB2 TRP 101 10.296 6.157 -3.341 663 HB3 TRP 101 HB3 TRP 101 10.616 7.864 -3.255 664 HD1 TRP 101 HD TRP 101 9.173 9.467 -4.789 665 HE1 TRP 101 HE1 TRP 101 7.038 9.103 -6.171 666 HE3 TRP 101 HE3 TRP 101 9.102 4.436 -4.721 667 HZ2 TRP 101 HZ2 TRP 101 5.519 6.943 -7.117 668 HZ3 TRP 101 HZ3 TRP 101 7.256 3.239 -5.904 669 HH2 TRP 101 HH TRP 101 5.503 4.504 -7.068 670 H GLU 102 H GLU 102 10.936 6.427 -7.229 671 HA GLU 102 HA GLU 102 11.165 9.244 -7.998 672 HB2 GLU 102 HB2 GLU 102 12.237 6.875 -9.530 673 HB3 GLU 102 HB3 GLU 102 12.173 8.506 -10.169 674 HG2 GLU 102 HG2 GLU 102 13.668 9.239 -8.336 675 HG3 GLU 102 HG3 GLU 102 13.748 7.568 -7.785 676 H PHE 103 H PHE 103 9.521 9.921 -9.305 677 HA PHE 103 HA PHE 103 7.276 8.094 -9.634 678 HB2 PHE 103 HB2 PHE 103 7.585 11.049 -10.184 679 HB3 PHE 103 HB3 PHE 103 6.157 10.168 -10.658 680 HD1 PHE 103 HD2 PHE 103 4.770 9.135 -8.881 681 HD2 PHE 103 HD3 PHE 103 7.910 11.828 -8.066 682 HE1 PHE 103 HE2 PHE 103 3.781 9.580 -6.656 683 HE2 PHE 103 HE1 PHE 103 6.952 12.294 -5.827 684 HZ PHE 103 HZ PHE 103 4.878 11.165 -5.128 685 H GLN 104 H GLN 104 7.168 6.834 -11.340 686 HA GLN 104 HA GLN 104 8.450 7.351 -13.826 687 HB2 GLN 104 HB2 GLN 104 7.975 5.079 -13.007 688 HB3 GLN 104 HB3 GLN 104 6.268 5.436 -13.022 689 HG2 GLN 104 HG2 GLN 104 6.221 5.500 -15.388 690 HG3 GLN 104 HG3 GLN 104 7.991 5.392 -15.483 691 HE21 GLN 104 HE21 GLN 104 8.951 3.442 -15.135 692 HE22 GLN 104 HE22 GLN 104 8.105 1.926 -15.091 693 H LYS 105 H LYS 105 5.089 7.476 -12.687 694 HA LYS 105 HA LYS 105 4.388 9.876 -13.668 695 HB2 LYS 105 HB2 LYS 105 2.872 9.250 -15.553 696 HB3 LYS 105 HB3 LYS 105 4.563 9.170 -15.967 697 HG2 LYS 105 HG2 LYS 105 3.680 7.278 -16.980 698 HG3 LYS 105 HG3 LYS 105 4.311 6.635 -15.467 699 HD2 LYS 105 HD2 LYS 105 2.115 5.707 -15.922 700 HD3 LYS 105 HD3 LYS 105 2.028 6.794 -14.523 701 HE2 LYS 105 HE2 LYS 105 1.037 8.515 -15.897 702 HE3 LYS 105 HE1 LYS 105 1.294 7.539 -17.346 703 HZ1 LYS 105 HZ1 LYS 105 -0.438 6.740 -15.072 704 HZ2 LYS 105 HZ2 LYS 105 -0.224 5.932 -16.543 705 HZ3 LYS 105 HZ3 LYS 105 -1.027 7.391 -16.530 706 H TYR 106 H TYR 106 1.804 10.004 -13.719 707 HA TYR 106 HA TYR 106 0.659 7.920 -12.094 708 HB2 TYR 106 HB2 TYR 106 -0.114 9.434 -10.300 709 HB3 TYR 106 HB3 TYR 106 1.629 9.275 -10.347 710 HD1 TYR 106 HD3 TYR 106 3.019 11.204 -11.054 711 HD2 TYR 106 HD2 TYR 106 -1.220 11.520 -10.715 712 HE1 TYR 106 HE1 TYR 106 3.200 13.653 -11.046 713 HE2 TYR 106 HE2 TYR 106 -1.032 13.966 -10.711 714 HH TYR 106 HH TYR 106 1.856 15.585 -11.537 715 H GLY 107 H GLY 107 -1.647 8.240 -11.645 716 HA2 GLY 107 HA2 GLY 107 -3.742 9.194 -12.240 717 HA3 GLY 107 HA3 GLY 107 -2.962 9.958 -13.621 718 H HIS 108 H HIS 108 -4.230 9.173 -15.244 719 HA HIS 108 HA HIS 108 -4.895 6.396 -15.419 720 HB2 HIS 108 HB2 HIS 108 -5.864 7.033 -17.627 721 HB3 HIS 108 HB3 HIS 108 -6.459 8.029 -16.316 722 HD2 HIS 108 HD2 HIS 108 -4.788 8.424 -19.725 723 HE1 HIS 108 HE1 HIS 108 -4.523 12.173 -17.761 724 HE2 HIS 108 HE2 HIS 108 -4.107 10.921 -19.905 Start of MODEL 18 1 H1 GLY 9 H GLY 9 -24.105 6.793 -4.624 2 HA2 GLY 9 HA2 GLY 9 -26.153 8.154 -3.746 3 HA3 GLY 9 HA3 GLY 9 -25.056 9.502 -4.022 4 H GLY 10 H GLY 10 -23.786 8.152 -6.242 5 HA2 GLY 10 HA2 GLY 10 -24.239 7.439 -8.454 6 HA3 GLY 10 HA3 GLY 10 -25.923 7.923 -8.233 7 H GLY 11 H GLY 11 -25.329 8.821 -10.428 8 HA2 GLY 11 HA2 GLY 11 -23.729 11.174 -10.602 9 HA3 GLY 11 HA3 GLY 11 -24.951 10.679 -11.757 10 H GLY 12 H GLY 12 -24.304 13.358 -10.553 11 HA2 GLY 12 HA2 GLY 12 -26.033 15.046 -10.480 12 HA3 GLY 12 HA3 GLY 12 -27.021 13.920 -9.559 13 H THR 13 H THR 13 -26.846 16.252 -8.444 14 HA THR 13 HA THR 13 -24.949 15.846 -6.235 15 HB THR 13 HB THR 13 -25.688 18.533 -7.438 16 HG1 THR 13 HG3 THR 13 -23.713 16.707 -7.985 17 HG21 THR 13 HG21 THR 13 -23.674 17.802 -5.296 18 HG22 THR 13 HG22 THR 13 -25.226 18.565 -5.002 19 HG23 THR 13 HG23 THR 13 -23.980 19.422 -5.925 20 H ASN 14 H ASN 14 -25.972 15.798 -4.293 21 HA ASN 14 HA ASN 14 -28.724 16.799 -4.216 22 HB2 ASN 14 HB2 ASN 14 -29.073 15.432 -2.212 23 HB3 ASN 14 HB3 ASN 14 -28.466 14.433 -3.526 24 HD21 ASN 14 HD21 ASN 14 -26.593 13.399 -3.284 25 HD22 ASN 14 HD22 ASN 14 -25.608 13.429 -1.863 26 H SER 15 H SER 15 -29.428 18.188 -2.656 27 HA SER 15 HA SER 15 -27.370 19.791 -1.409 28 HB2 SER 15 HB2 SER 15 -30.374 20.139 -1.540 29 HB3 SER 15 HB3 SER 15 -29.239 21.320 -0.882 30 HG SER 15 HG SER 15 -29.185 22.028 -2.810 31 H GLY 16 H GLY 16 -27.375 20.249 0.848 32 HA2 GLY 16 HA2 GLY 16 -28.150 19.863 3.085 33 HA3 GLY 16 HA3 GLY 16 -28.909 18.381 2.527 34 H ALA 17 H ALA 17 -26.342 17.864 0.971 35 HA ALA 17 HA ALA 17 -24.994 16.342 2.965 36 HB1 ALA 17 HB1 ALA 17 -24.168 17.020 0.133 37 HB2 ALA 17 HB2 ALA 17 -25.034 15.576 0.654 38 HB3 ALA 17 HB3 ALA 17 -23.369 15.840 1.170 39 H GLY 18 H GLY 18 -24.377 19.368 1.293 40 HA2 GLY 18 HA2 GLY 18 -23.036 21.169 1.819 41 HA3 GLY 18 HA3 GLY 18 -22.998 20.555 3.468 42 H LYS 19 H LYS 19 -21.776 19.285 0.382 43 HA LYS 19 HA LYS 19 -19.481 18.284 1.767 44 HB2 LYS 19 HB2 LYS 19 -20.173 18.209 -1.155 45 HB3 LYS 19 HB3 LYS 19 -18.784 17.382 -0.454 46 HG2 LYS 19 HG2 LYS 19 -21.708 16.840 0.100 47 HG3 LYS 19 HG3 LYS 19 -20.592 15.837 -0.818 48 HD2 LYS 19 HD2 LYS 19 -20.203 16.499 2.107 49 HD3 LYS 19 HD3 LYS 19 -21.055 15.079 1.550 50 HE2 LYS 19 HE2 LYS 19 -18.179 15.755 0.906 51 HE3 LYS 19 HE1 LYS 19 -18.708 14.613 2.131 52 HZ1 LYS 19 HZ1 LYS 19 -18.909 14.345 -0.819 53 HZ2 LYS 19 HZ2 LYS 19 -19.926 13.490 0.221 54 HZ3 LYS 19 HZ3 LYS 19 -18.269 13.265 0.336 55 H LYS 20 H LYS 20 -17.537 18.919 1.840 56 HA LYS 20 HA LYS 20 -16.702 21.343 0.368 57 HB2 LYS 20 HB2 LYS 20 -15.930 20.392 3.133 58 HB3 LYS 20 HB3 LYS 20 -15.193 21.747 2.298 59 HG2 LYS 20 HG2 LYS 20 -17.303 22.943 2.342 60 HG3 LYS 20 HG3 LYS 20 -18.083 21.564 3.122 61 HD2 LYS 20 HD2 LYS 20 -16.544 21.772 5.018 62 HD3 LYS 20 HD3 LYS 20 -15.788 23.161 4.236 63 HE2 LYS 20 HE2 LYS 20 -18.698 23.021 5.033 64 HE3 LYS 20 HE1 LYS 20 -17.426 23.749 6.009 65 HZ1 LYS 20 HZ1 LYS 20 -18.535 25.433 4.774 66 HZ2 LYS 20 HZ2 LYS 20 -18.291 24.650 3.305 67 HZ3 LYS 20 HZ3 LYS 20 -16.961 25.262 4.179 68 H ARG 21 H ARG 21 -14.429 21.342 -0.238 69 HA ARG 21 HA ARG 21 -13.465 18.780 -1.029 70 HB2 ARG 21 HB2 ARG 21 -12.161 21.490 -0.971 71 HB3 ARG 21 HB3 ARG 21 -11.355 20.061 -1.595 72 HG2 ARG 21 HG2 ARG 21 -13.941 21.165 -2.643 73 HG3 ARG 21 HG3 ARG 21 -12.353 21.506 -3.348 74 HD2 ARG 21 HD2 ARG 21 -12.049 19.039 -3.639 75 HD3 ARG 21 HD3 ARG 21 -13.700 18.819 -3.079 76 HE ARG 21 HE ARG 21 -13.462 20.636 -5.284 77 HH11 ARG 21 HH11 ARG 21 -13.869 17.215 -4.357 78 HH12 ARG 21 HH12 ARG 21 -14.503 16.785 -5.881 79 HH21 ARG 21 HH21 ARG 21 -14.319 19.977 -7.327 80 HH22 ARG 21 HH22 ARG 21 -14.756 18.330 -7.571 81 H PHE 22 H PHE 22 -12.599 17.317 0.255 82 HA PHE 22 HA PHE 22 -10.441 18.141 1.973 83 HB2 PHE 22 HB2 PHE 22 -11.237 16.910 3.942 84 HB3 PHE 22 HB3 PHE 22 -12.381 18.160 3.502 85 HD1 PHE 22 HD3 PHE 22 -11.766 14.548 3.650 86 HD2 PHE 22 HD2 PHE 22 -14.628 17.578 2.756 87 HE1 PHE 22 HE1 PHE 22 -13.547 12.871 3.678 88 HE2 PHE 22 HE2 PHE 22 -16.413 15.885 2.782 89 HZ PHE 22 HZ PHE 22 -15.877 13.538 3.246 90 H GLU 23 H GLU 23 -9.089 16.349 2.591 91 HA GLU 23 HA GLU 23 -9.661 13.845 1.253 92 HB2 GLU 23 HB2 GLU 23 -7.298 13.681 0.576 93 HB3 GLU 23 HB3 GLU 23 -8.136 14.990 -0.248 94 HG2 GLU 23 HG2 GLU 23 -7.123 16.541 1.434 95 HG3 GLU 23 HG3 GLU 23 -6.168 15.176 2.019 96 H VAL 24 H VAL 24 -8.580 12.034 2.254 97 HA VAL 24 HA VAL 24 -8.343 12.582 5.058 98 HB VAL 24 HB VAL 24 -9.660 10.629 4.480 99 HG11 VAL 24 HG11 VAL 24 -8.554 10.006 2.403 100 HG12 VAL 24 HG12 VAL 24 -8.728 8.632 3.482 101 HG13 VAL 24 HG13 VAL 24 -7.158 9.425 3.312 102 HG21 VAL 24 HG21 VAL 24 -8.493 10.600 6.602 103 HG22 VAL 24 HG22 VAL 24 -7.094 9.837 5.843 104 HG23 VAL 24 HG23 VAL 24 -8.627 8.972 5.945 105 H LYS 25 H LYS 25 -6.646 13.137 5.987 106 HA LYS 25 HA LYS 25 -4.032 12.158 5.071 107 HB2 LYS 25 HB2 LYS 25 -4.362 14.628 5.086 108 HB3 LYS 25 HB3 LYS 25 -4.756 14.543 6.793 109 HG2 LYS 25 HG2 LYS 25 -2.513 13.826 7.309 110 HG3 LYS 25 HG3 LYS 25 -2.083 13.812 5.596 111 HD2 LYS 25 HD2 LYS 25 -2.584 16.225 5.481 112 HD3 LYS 25 HD3 LYS 25 -2.959 16.221 7.201 113 HE2 LYS 25 HE2 LYS 25 -0.282 15.473 6.012 114 HE3 LYS 25 HE1 LYS 25 -0.687 17.055 6.671 115 HZ1 LYS 25 HZ1 LYS 25 -0.649 14.494 8.191 116 HZ2 LYS 25 HZ2 LYS 25 -1.039 16.027 8.830 117 HZ3 LYS 25 HZ3 LYS 25 0.511 15.724 8.236 118 H LYS 26 H LYS 26 -3.128 10.681 6.370 119 HA LYS 26 HA LYS 26 -4.596 10.018 8.820 120 HB2 LYS 26 HB2 LYS 26 -4.354 8.376 6.987 121 HB3 LYS 26 HB3 LYS 26 -2.609 8.402 7.215 122 HG2 LYS 26 HG2 LYS 26 -3.346 6.466 8.307 123 HG3 LYS 26 HG3 LYS 26 -3.111 7.629 9.597 124 HD2 LYS 26 HD2 LYS 26 -5.485 8.098 9.696 125 HD3 LYS 26 HD3 LYS 26 -5.775 7.069 8.289 126 HE2 LYS 26 HE2 LYS 26 -4.965 5.123 9.581 127 HE3 LYS 26 HE1 LYS 26 -4.726 6.178 10.974 128 HZ1 LYS 26 HZ1 LYS 26 -6.835 4.855 10.958 129 HZ2 LYS 26 HZ2 LYS 26 -7.385 5.857 9.696 130 HZ3 LYS 26 HZ3 LYS 26 -7.045 6.502 11.184 131 H SER 27 H SER 27 -3.701 10.656 10.699 132 HA SER 27 HA SER 27 -1.043 11.531 11.049 133 HB2 SER 27 HB2 SER 27 -2.901 10.365 13.126 134 HB3 SER 27 HB3 SER 27 -1.524 11.433 13.426 135 HG SER 27 HG SER 27 -2.919 12.741 11.733 136 H ASN 28 H ASN 28 -2.637 8.466 11.584 137 HA ASN 28 HA ASN 28 -0.208 7.099 12.367 138 HB2 ASN 28 HB2 ASN 28 -3.078 6.240 12.000 139 HB3 ASN 28 HB3 ASN 28 -1.809 5.073 12.311 140 HD21 ASN 28 HD21 ASN 28 -2.895 4.506 14.215 141 HD22 ASN 28 HD22 ASN 28 -2.802 5.473 15.652 142 H ALA 29 H ALA 29 0.226 8.167 9.962 143 HA ALA 29 HA ALA 29 -0.631 6.754 7.693 144 HB1 ALA 29 HB1 ALA 29 1.107 7.939 6.481 145 HB2 ALA 29 HB2 ALA 29 1.894 8.377 7.991 146 HB3 ALA 29 HB3 ALA 29 0.297 9.032 7.601 147 H SER 30 H SER 30 2.157 6.275 9.784 148 HA SER 30 HA SER 30 2.745 3.823 8.260 149 HB2 SER 30 HB2 SER 30 4.750 5.520 9.762 150 HB3 SER 30 HB3 SER 30 5.087 4.109 8.764 151 HG SER 30 HG SER 30 3.678 5.682 7.278 152 H ALA 31 H ALA 31 0.945 4.215 10.500 153 HA ALA 31 HA ALA 31 2.110 3.307 12.918 154 HB1 ALA 31 HB1 ALA 31 0.007 4.478 12.887 155 HB2 ALA 31 HB2 ALA 31 -0.199 2.881 13.622 156 HB3 ALA 31 HB3 ALA 31 -0.746 3.173 11.970 157 H GLN 32 H GLN 32 0.678 1.736 10.127 158 HA GLN 32 HA GLN 32 0.663 -0.878 11.313 159 HB2 GLN 32 HB2 GLN 32 0.349 0.036 8.454 160 HB3 GLN 32 HB3 GLN 32 0.128 -1.617 9.006 161 HG2 GLN 32 HG2 GLN 32 -1.741 -0.943 10.379 162 HG3 GLN 32 HG3 GLN 32 -1.487 0.745 9.941 163 HE21 GLN 32 HE21 GLN 32 -1.999 1.424 7.874 164 HE22 GLN 32 HE22 GLN 32 -3.020 0.519 6.810 165 H SER 33 H SER 33 2.044 -2.558 10.867 166 HA SER 33 HA SER 33 4.709 -1.803 10.008 167 HB2 SER 33 HB2 SER 33 5.276 -4.096 10.932 168 HB3 SER 33 HB3 SER 33 4.638 -2.946 12.112 169 HG SER 33 HG SER 33 2.847 -4.026 12.262 170 H ALA 34 H ALA 34 2.222 -2.411 8.346 171 HA ALA 34 HA ALA 34 2.407 -4.751 6.898 172 HB1 ALA 34 HB1 ALA 34 1.260 -3.509 5.070 173 HB2 ALA 34 HB2 ALA 34 1.514 -2.013 5.981 174 HB3 ALA 34 HB3 ALA 34 0.515 -3.303 6.650 175 H TRP 35 H TRP 35 3.762 -5.539 5.474 176 HA TRP 35 HA TRP 35 5.591 -3.883 3.958 177 HB2 TRP 35 HB2 TRP 35 6.676 -4.190 6.201 178 HB3 TRP 35 HB3 TRP 35 6.574 -5.921 5.986 179 HD1 TRP 35 HD TRP 35 8.109 -6.917 3.862 180 HE1 TRP 35 HE1 TRP 35 10.417 -6.130 3.053 181 HE3 TRP 35 HE3 TRP 35 8.173 -2.265 5.989 182 HZ2 TRP 35 HZ2 TRP 35 12.057 -3.853 3.295 183 HZ3 TRP 35 HZ3 TRP 35 10.160 -0.857 5.662 184 HH2 TRP 35 HH TRP 35 12.063 -1.634 4.345 185 H ASP 36 H ASP 36 5.226 -4.795 1.969 186 HA ASP 36 HA ASP 36 5.921 -7.545 1.642 187 HB2 ASP 36 HB2 ASP 36 3.919 -8.180 0.359 188 HB3 ASP 36 HB3 ASP 36 3.488 -7.759 2.006 189 H ILE 37 H ILE 37 6.135 -8.094 -0.689 190 HA ILE 37 HA ILE 37 7.447 -5.761 -1.892 191 HB ILE 37 HB ILE 37 8.788 -7.347 -3.200 192 HG12 ILE 37 HG12 ILE 37 7.385 -9.518 -1.618 193 HG13 ILE 37 HG11 ILE 37 7.067 -9.162 -3.311 194 HG21 ILE 37 HG21 ILE 37 8.785 -7.968 -0.253 195 HG22 ILE 37 HG22 ILE 37 9.576 -6.582 -1.013 196 HG23 ILE 37 HG23 ILE 37 10.129 -8.216 -1.367 197 HD11 ILE 37 HD11 ILE 37 9.731 -10.024 -2.211 198 HD12 ILE 37 HD31 ILE 37 8.557 -11.098 -2.967 199 HD13 ILE 37 HD21 ILE 37 9.301 -9.802 -3.908 200 H VAL 38 H VAL 38 4.555 -6.927 -2.193 201 HA VAL 38 HA VAL 38 4.434 -7.472 -5.013 202 HB VAL 38 HB VAL 38 2.215 -7.068 -2.982 203 HG11 VAL 38 HG11 VAL 38 1.389 -6.518 -5.131 204 HG12 VAL 38 HG12 VAL 38 0.775 -8.111 -4.679 205 HG13 VAL 38 HG13 VAL 38 2.097 -7.966 -5.832 206 HG21 VAL 38 HG21 VAL 38 3.594 -9.064 -2.549 207 HG22 VAL 38 HG22 VAL 38 3.334 -9.579 -4.219 208 HG23 VAL 38 HG23 VAL 38 1.973 -9.505 -3.108 209 H VAL 39 H VAL 39 4.018 -6.081 -6.601 210 HA VAL 39 HA VAL 39 3.666 -3.294 -5.840 211 HB VAL 39 HB VAL 39 4.156 -2.798 -8.284 212 HG11 VAL 39 HG11 VAL 39 5.736 -2.367 -6.609 213 HG12 VAL 39 HG12 VAL 39 6.603 -3.140 -7.947 214 HG13 VAL 39 HG13 VAL 39 6.207 -4.061 -6.484 215 HG21 VAL 39 HG21 VAL 39 3.744 -4.965 -9.254 216 HG22 VAL 39 HG22 VAL 39 4.918 -5.707 -8.194 217 HG23 VAL 39 HG23 VAL 39 5.458 -4.593 -9.455 218 H ASP 40 H ASP 40 1.636 -5.744 -6.760 219 HA ASP 40 HA ASP 40 -0.148 -3.733 -7.883 220 HB2 ASP 40 HB2 ASP 40 -1.666 -5.387 -8.653 221 HB3 ASP 40 HB3 ASP 40 -0.072 -5.963 -9.083 222 H ASN 41 H ASN 41 0.811 -4.299 -5.088 223 HA ASN 41 HA ASN 41 -1.759 -3.703 -3.848 224 HB2 ASN 41 HB2 ASN 41 -1.103 -5.987 -3.177 225 HB3 ASN 41 HB3 ASN 41 0.478 -5.366 -2.763 226 HD21 ASN 41 HD21 ASN 41 0.837 -4.537 -0.790 227 HD22 ASN 41 HD22 ASN 41 -0.346 -4.368 0.444 228 H CYS 42 H CYS 42 -1.691 -1.839 -2.764 229 HA CYS 42 HA CYS 42 0.780 -0.342 -2.551 230 HB2 CYS 42 HB2 CYS 42 -1.577 0.646 -2.954 231 HB3 CYS 42 HB3 CYS 42 -1.895 0.246 -1.306 232 H ALA 43 H ALA 43 2.094 -0.966 -0.968 233 HA ALA 43 HA ALA 43 1.067 -2.503 1.258 234 HB1 ALA 43 HB1 ALA 43 3.432 -2.722 1.921 235 HB2 ALA 43 HB2 ALA 43 3.874 -1.600 0.634 236 HB3 ALA 43 HB3 ALA 43 3.143 -3.161 0.236 237 H ILE 44 H ILE 44 1.456 0.711 0.592 238 HA ILE 44 HA ILE 44 2.361 1.658 3.110 239 HB ILE 44 HB ILE 44 0.834 3.128 0.938 240 HG12 ILE 44 HG12 ILE 44 3.809 2.755 1.400 241 HG13 ILE 44 HG11 ILE 44 2.856 2.066 0.136 242 HG21 ILE 44 HG21 ILE 44 2.549 4.109 3.230 243 HG22 ILE 44 HG22 ILE 44 0.804 4.340 3.061 244 HG23 ILE 44 HG23 ILE 44 1.919 5.131 1.938 245 HD11 ILE 44 HD11 ILE 44 3.315 5.012 0.462 246 HD12 ILE 44 HD31 ILE 44 4.092 3.963 -0.725 247 HD13 ILE 44 HD21 ILE 44 2.356 4.238 -0.801 248 H CYS 45 H CYS 45 -0.831 1.424 1.583 249 HA CYS 45 HA CYS 45 -2.162 1.893 4.164 250 HB2 CYS 45 HB2 CYS 45 -4.231 1.750 2.699 251 HB3 CYS 45 HB3 CYS 45 -3.158 3.102 2.301 252 H ARG 46 H ARG 46 -1.391 -0.461 1.822 253 HA ARG 46 HA ARG 46 -1.455 -2.594 1.613 254 HB2 ARG 46 HB2 ARG 46 -0.993 -2.728 4.047 255 HB3 ARG 46 HB3 ARG 46 -2.725 -2.914 4.346 256 HG2 ARG 46 HG2 ARG 46 -2.715 -4.978 2.991 257 HG3 ARG 46 HG3 ARG 46 -0.998 -4.761 2.700 258 HD2 ARG 46 HD2 ARG 46 -1.256 -6.378 4.433 259 HD3 ARG 46 HD3 ARG 46 -0.609 -4.902 5.147 260 HE ARG 46 HE ARG 46 -3.450 -5.009 5.285 261 HH11 ARG 46 HH11 ARG 46 -0.507 -6.265 6.876 262 HH12 ARG 46 HH12 ARG 46 -1.312 -6.563 8.349 263 HH21 ARG 46 HH21 ARG 46 -4.502 -5.473 7.326 264 HH22 ARG 46 HH22 ARG 46 -3.621 -6.112 8.619 265 H ASN 47 H ASN 47 -3.051 -1.369 0.240 266 HA ASN 47 HA ASN 47 -5.258 -3.287 0.044 267 HB2 ASN 47 HB2 ASN 47 -6.077 -0.978 0.904 268 HB3 ASN 47 HB3 ASN 47 -5.707 -0.404 -0.732 269 HD21 ASN 47 HD21 ASN 47 -7.064 -0.999 -2.424 270 HD22 ASN 47 HD22 ASN 47 -8.549 -1.835 -2.181 271 H HIS 48 H HIS 48 -6.218 -3.019 -2.302 272 HA HIS 48 HA HIS 48 -4.094 -3.858 -3.938 273 HB2 HIS 48 HB2 HIS 48 -6.667 -4.356 -4.076 274 HB3 HIS 48 HB3 HIS 48 -6.664 -2.974 -5.178 275 HD2 HIS 48 HD2 HIS 48 -4.251 -6.044 -4.917 276 HE1 HIS 48 HE1 HIS 48 -5.483 -5.598 -8.945 277 HE2 HIS 48 HE2 HIS 48 -3.825 -6.675 -7.344 278 H ILE 49 H ILE 49 -3.324 -3.037 -5.922 279 HA ILE 49 HA ILE 49 -2.077 -0.693 -5.577 280 HB ILE 49 HB ILE 49 -1.136 -2.236 -7.032 281 HG12 ILE 49 HG12 ILE 49 -0.742 -0.902 -9.160 282 HG13 ILE 49 HG11 ILE 49 -2.012 0.154 -8.583 283 HG21 ILE 49 HG21 ILE 49 -3.529 -1.920 -8.838 284 HG22 ILE 49 HG22 ILE 49 -3.110 -3.349 -7.874 285 HG23 ILE 49 HG23 ILE 49 -2.090 -2.864 -9.220 286 HD11 ILE 49 HD11 ILE 49 -0.819 0.691 -6.628 287 HD12 ILE 49 HD31 ILE 49 0.531 -0.368 -7.093 288 HD13 ILE 49 HD21 ILE 49 0.130 1.067 -8.079 289 H MET 50 H MET 50 -4.835 -1.082 -7.885 290 HA MET 50 HA MET 50 -4.999 1.783 -7.701 291 HB2 MET 50 HB2 MET 50 -4.084 1.332 -9.781 292 HB3 MET 50 HB3 MET 50 -5.231 0.108 -10.222 293 HG2 MET 50 HG2 MET 50 -6.978 1.930 -10.300 294 HG3 MET 50 HG3 MET 50 -5.703 3.084 -9.915 295 HE1 MET 50 HE1 MET 50 -5.675 -0.074 -12.259 296 HE2 MET 50 HE2 MET 50 -5.896 0.665 -13.836 297 HE3 MET 50 HE3 MET 50 -7.221 0.694 -12.663 298 H ASP 51 H ASP 51 -6.384 1.531 -6.106 299 HA ASP 51 HA ASP 51 -9.157 0.873 -6.616 300 HB2 ASP 51 HB2 ASP 51 -7.761 -1.260 -6.049 301 HB3 ASP 51 HB3 ASP 51 -7.622 -0.582 -4.443 302 H LEU 52 H LEU 52 -9.960 0.902 -4.043 303 HA LEU 52 HA LEU 52 -9.555 3.555 -3.032 304 HB2 LEU 52 HB2 LEU 52 -10.930 1.104 -1.995 305 HB3 LEU 52 HB3 LEU 52 -10.942 2.649 -1.151 306 HG LEU 52 HG LEU 52 -11.953 2.323 -3.973 307 HD11 LEU 52 HD11 LEU 52 -13.221 0.904 -2.310 308 HD12 LEU 52 HD12 LEU 52 -14.141 2.109 -3.165 309 HD13 LEU 52 HD13 LEU 52 -13.684 2.406 -1.496 310 HD21 LEU 52 HD21 LEU 52 -11.356 4.582 -3.409 311 HD22 LEU 52 HD22 LEU 52 -12.148 4.441 -1.855 312 HD23 LEU 52 HD23 LEU 52 -13.126 4.461 -3.322 313 H CYS 53 H CYS 53 -8.534 4.187 -1.113 314 HA CYS 53 HA CYS 53 -6.402 2.434 -0.186 315 HB2 CYS 53 HB2 CYS 53 -7.090 5.204 0.822 316 HB3 CYS 53 HB3 CYS 53 -5.554 4.368 0.950 317 H ILE 54 H ILE 54 -6.255 3.300 2.439 318 HA ILE 54 HA ILE 54 -7.764 1.592 3.954 319 HB ILE 54 HB ILE 54 -7.286 3.348 5.841 320 HG12 ILE 54 HG12 ILE 54 -5.549 4.373 3.562 321 HG13 ILE 54 HG11 ILE 54 -6.810 5.232 4.332 322 HG21 ILE 54 HG21 ILE 54 -5.150 1.816 4.398 323 HG22 ILE 54 HG22 ILE 54 -6.214 1.260 5.702 324 HG23 ILE 54 HG23 ILE 54 -5.016 2.523 6.017 325 HD11 ILE 54 HD11 ILE 54 -4.276 4.387 5.686 326 HD12 ILE 54 HD31 ILE 54 -4.713 6.002 5.121 327 HD13 ILE 54 HD21 ILE 54 -5.619 5.256 6.443 328 H GLU 55 H GLU 55 -8.290 4.983 4.652 329 HA GLU 55 HA GLU 55 -10.995 4.430 5.361 330 HB2 GLU 55 HB2 GLU 55 -9.455 6.991 5.316 331 HB3 GLU 55 HB3 GLU 55 -11.038 6.864 6.003 332 HG2 GLU 55 HG2 GLU 55 -10.038 5.044 7.548 333 HG3 GLU 55 HG3 GLU 55 -8.519 5.541 6.906 334 H CYS 56 H CYS 56 -9.439 5.348 2.593 335 HA CYS 56 HA CYS 56 -11.032 7.326 1.513 336 HB2 CYS 56 HB2 CYS 56 -9.611 5.109 0.102 337 HB3 CYS 56 HB3 CYS 56 -10.321 6.484 -0.743 338 H GLN 57 H GLN 57 -11.577 3.844 1.369 339 HA GLN 57 HA GLN 57 -13.794 3.842 -0.268 340 HB2 GLN 57 HB2 GLN 57 -14.415 1.702 1.073 341 HB3 GLN 57 HB3 GLN 57 -12.915 1.734 0.145 342 HG2 GLN 57 HG2 GLN 57 -12.284 0.754 2.142 343 HG3 GLN 57 HG3 GLN 57 -11.835 2.427 2.359 344 HE21 GLN 57 HE21 GLN 57 -11.883 2.319 4.552 345 HE22 GLN 57 HE22 GLN 57 -13.367 2.178 5.450 346 H ALA 58 H ALA 58 -13.698 4.468 3.179 347 HA ALA 58 HA ALA 58 -16.579 4.874 3.321 348 HB1 ALA 58 HB1 ALA 58 -16.190 5.390 5.665 349 HB2 ALA 58 HB2 ALA 58 -14.464 5.532 5.342 350 HB3 ALA 58 HB3 ALA 58 -15.239 3.953 5.233 351 H ASN 59 H ASN 59 -13.675 6.684 3.003 352 HA ASN 59 HA ASN 59 -14.434 9.251 3.806 353 HB2 ASN 59 HB2 ASN 59 -12.129 8.297 3.427 354 HB3 ASN 59 HB3 ASN 59 -12.463 8.499 1.708 355 HD21 ASN 59 HD21 ASN 59 -11.809 10.065 4.701 356 HD22 ASN 59 HD22 ASN 59 -11.448 11.603 4.029 357 H GLN 60 H GLN 60 -14.241 7.788 0.558 358 HA GLN 60 HA GLN 60 -15.370 8.101 -1.369 359 HB2 GLN 60 HB2 GLN 60 -17.351 7.926 0.098 360 HB3 GLN 60 HB3 GLN 60 -17.341 9.666 0.304 361 HG2 GLN 60 HG2 GLN 60 -17.731 9.914 -2.125 362 HG3 GLN 60 HG3 GLN 60 -17.846 8.155 -2.253 363 HE21 GLN 60 HE21 GLN 60 -19.408 11.065 -1.271 364 HE22 GLN 60 HE22 GLN 60 -20.928 10.366 -0.881 365 H ALA 61 H ALA 61 -13.982 10.700 0.166 366 HA ALA 61 HA ALA 61 -14.819 12.822 -1.541 367 HB1 ALA 61 HB1 ALA 61 -13.969 13.175 0.697 368 HB2 ALA 61 HB2 ALA 61 -13.059 14.118 -0.489 369 HB3 ALA 61 HB3 ALA 61 -12.386 12.602 0.185 370 H SER 62 H SER 62 -12.780 10.211 -2.125 371 HA SER 62 HA SER 62 -10.905 11.375 -3.879 372 HB2 SER 62 HB2 SER 62 -10.662 8.992 -4.651 373 HB3 SER 62 HB3 SER 62 -10.475 9.208 -2.913 374 HG SER 62 HG SER 62 -12.144 7.648 -4.186 375 H ALA 63 H ALA 63 -14.215 10.697 -4.085 376 HA ALA 63 HA ALA 63 -15.809 11.029 -5.618 377 HB1 ALA 63 HB1 ALA 63 -14.534 12.983 -6.417 378 HB2 ALA 63 HB2 ALA 63 -15.400 12.177 -7.730 379 HB3 ALA 63 HB3 ALA 63 -13.668 11.945 -7.549 380 H THR 64 H THR 64 -12.980 9.473 -7.080 381 HA THR 64 HA THR 64 -14.805 7.498 -8.278 382 HB THR 64 HB THR 64 -11.824 7.677 -8.764 383 HG1 THR 64 HG3 THR 64 -14.004 8.989 -10.102 384 HG21 THR 64 HG21 THR 64 -14.131 6.569 -10.374 385 HG22 THR 64 HG22 THR 64 -12.935 5.627 -9.464 386 HG23 THR 64 HG23 THR 64 -12.435 6.563 -10.864 387 H SER 65 H SER 65 -14.996 5.589 -7.298 388 HA SER 65 HA SER 65 -13.052 4.933 -5.190 389 HB2 SER 65 HB2 SER 65 -15.889 4.010 -5.610 390 HB3 SER 65 HB3 SER 65 -14.848 3.547 -4.254 391 HG SER 65 HG SER 65 -15.710 5.236 -3.347 392 H GLU 66 H GLU 66 -14.020 4.131 -8.274 393 HA GLU 66 HA GLU 66 -13.420 1.372 -8.358 394 HB2 GLU 66 HB2 GLU 66 -14.475 2.864 -10.146 395 HB3 GLU 66 HB3 GLU 66 -12.873 3.439 -10.481 396 HG2 GLU 66 HG2 GLU 66 -12.099 1.194 -11.049 397 HG3 GLU 66 HG3 GLU 66 -13.702 0.555 -10.716 398 H GLU 67 H GLU 67 -11.591 4.333 -8.357 399 HA GLU 67 HA GLU 67 -9.142 3.028 -7.732 400 HB2 GLU 67 HB2 GLU 67 -7.974 4.317 -9.529 401 HB3 GLU 67 HB3 GLU 67 -9.003 3.018 -10.132 402 HG2 GLU 67 HG2 GLU 67 -10.734 4.627 -10.676 403 HG3 GLU 67 HG3 GLU 67 -9.740 5.945 -10.081 404 H CYS 68 H CYS 68 -8.537 4.244 -6.019 405 HA CYS 68 HA CYS 68 -9.383 6.926 -5.668 406 HB2 CYS 68 HB2 CYS 68 -8.767 5.529 -3.757 407 HB3 CYS 68 HB3 CYS 68 -7.110 5.410 -4.295 408 H THR 69 H THR 69 -5.901 6.375 -5.512 409 HA THR 69 HA THR 69 -5.451 7.580 -8.101 410 HB THR 69 HB THR 69 -3.692 9.030 -7.153 411 HG1 THR 69 HG3 THR 69 -4.840 9.257 -4.681 412 HG21 THR 69 HG21 THR 69 -6.480 9.702 -6.203 413 HG22 THR 69 HG22 THR 69 -5.800 10.037 -7.801 414 HG23 THR 69 HG23 THR 69 -5.151 10.844 -6.373 415 H VAL 70 H VAL 70 -3.249 7.126 -8.876 416 HA VAL 70 HA VAL 70 -1.728 5.207 -7.285 417 HB VAL 70 HB VAL 70 -3.377 3.865 -8.589 418 HG11 VAL 70 HG11 VAL 70 -3.627 5.281 -10.504 419 HG12 VAL 70 HG12 VAL 70 -3.105 3.658 -11.007 420 HG13 VAL 70 HG13 VAL 70 -1.943 4.994 -10.951 421 HG21 VAL 70 HG21 VAL 70 -0.483 3.533 -9.328 422 HG22 VAL 70 HG22 VAL 70 -1.745 2.328 -9.587 423 HG23 VAL 70 HG23 VAL 70 -1.332 2.823 -7.949 424 H ALA 71 H ALA 71 0.443 5.082 -7.767 425 HA ALA 71 HA ALA 71 1.416 6.679 -10.010 426 HB1 ALA 71 HB1 ALA 71 2.462 6.925 -7.202 427 HB2 ALA 71 HB2 ALA 71 1.404 8.108 -7.981 428 HB3 ALA 71 HB3 ALA 71 3.015 7.815 -8.626 429 H TRP 72 H TRP 72 3.189 5.898 -10.980 430 HA TRP 72 HA TRP 72 4.129 3.327 -10.010 431 HB2 TRP 72 HB2 TRP 72 4.815 4.652 -12.591 432 HB3 TRP 72 HB3 TRP 72 4.903 2.962 -12.195 433 HD1 TRP 72 HD TRP 72 2.979 4.963 -14.390 434 HE1 TRP 72 HE1 TRP 72 0.589 4.097 -14.782 435 HE3 TRP 72 HE3 TRP 72 2.635 1.799 -10.463 436 HZ2 TRP 72 HZ2 TRP 72 -1.199 2.298 -13.595 437 HZ3 TRP 72 HZ3 TRP 72 0.508 0.502 -10.146 438 HH2 TRP 72 HH TRP 72 -1.348 0.765 -11.683 439 H GLY 73 H GLY 73 6.243 3.047 -9.570 440 HA2 GLY 73 HA2 GLY 73 7.879 5.454 -9.246 441 HA3 GLY 73 HA3 GLY 73 8.067 3.898 -8.447 442 H VAL 74 H VAL 74 9.746 5.710 -10.341 443 HA VAL 74 HA VAL 74 10.342 4.210 -12.666 444 HB VAL 74 HB VAL 74 12.211 6.010 -11.071 445 HG11 VAL 74 HG11 VAL 74 12.425 5.144 -13.951 446 HG12 VAL 74 HG12 VAL 74 13.428 4.569 -12.630 447 HG13 VAL 74 HG13 VAL 74 13.499 6.273 -13.118 448 HG21 VAL 74 HG21 VAL 74 11.596 7.770 -12.642 449 HG22 VAL 74 HG22 VAL 74 10.179 7.176 -11.781 450 HG23 VAL 74 HG23 VAL 74 10.483 6.669 -13.444 451 H CYS 75 H CYS 75 11.045 3.847 -9.412 452 HA CYS 75 HA CYS 75 13.328 2.132 -9.535 453 HB2 CYS 75 HB2 CYS 75 12.807 3.695 -7.701 454 HB3 CYS 75 HB3 CYS 75 11.403 2.729 -7.279 455 H ASN 76 H ASN 76 10.587 1.456 -10.858 456 HA ASN 76 HA ASN 76 9.415 -0.350 -11.452 457 HB2 ASN 76 HB2 ASN 76 11.703 -1.361 -11.612 458 HB3 ASN 76 HB3 ASN 76 11.499 -1.952 -9.965 459 HD21 ASN 76 HD21 ASN 76 11.753 -4.090 -10.719 460 HD22 ASN 76 HD22 ASN 76 10.468 -4.937 -11.519 461 H HIS 77 H HIS 77 8.713 1.026 -9.254 462 HA HIS 77 HA HIS 77 7.407 -1.055 -7.694 463 HB2 HIS 77 HB2 HIS 77 8.769 1.371 -6.741 464 HB3 HIS 77 HB3 HIS 77 7.254 0.925 -5.918 465 HD2 HIS 77 HD2 HIS 77 7.683 -2.253 -5.668 466 HE1 HIS 77 HE1 HIS 77 11.283 -1.268 -3.687 467 HE2 HIS 77 HE2 HIS 77 9.758 -3.118 -4.456 468 H ALA 78 H ALA 78 5.266 -0.477 -6.829 469 HA ALA 78 HA ALA 78 4.016 1.740 -8.218 470 HB1 ALA 78 HB1 ALA 78 3.639 -0.217 -9.639 471 HB2 ALA 78 HB2 ALA 78 2.142 0.287 -8.846 472 HB3 ALA 78 HB3 ALA 78 3.024 -1.110 -8.250 473 H PHE 79 H PHE 79 2.724 2.798 -6.895 474 HA PHE 79 HA PHE 79 1.561 1.486 -4.562 475 HB2 PHE 79 HB2 PHE 79 3.267 3.962 -4.447 476 HB3 PHE 79 HB3 PHE 79 2.267 3.409 -3.106 477 HD1 PHE 79 HD2 PHE 79 2.897 1.141 -2.050 478 HD2 PHE 79 HD3 PHE 79 5.399 3.167 -4.826 479 HE1 PHE 79 HE2 PHE 79 4.865 -0.234 -1.317 480 HE2 PHE 79 HE1 PHE 79 7.312 1.811 -4.103 481 HZ PHE 79 HZ PHE 79 7.036 0.127 -2.363 482 H HIS 80 H HIS 80 0.013 3.156 -3.452 483 HA HIS 80 HA HIS 80 -1.587 4.442 -5.440 484 HB2 HIS 80 HB2 HIS 80 -1.595 4.379 -2.445 485 HB3 HIS 80 HB3 HIS 80 -2.523 5.580 -3.305 486 HD2 HIS 80 HD2 HIS 80 -3.893 3.591 -5.572 487 HE1 HIS 80 HE1 HIS 80 -5.438 1.594 -2.200 488 HE2 HIS 80 HE2 HIS 80 -5.921 2.491 -4.383 489 H PHE 81 H PHE 81 -1.550 6.554 -6.017 490 HA PHE 81 HA PHE 81 0.687 8.168 -5.540 491 HB2 PHE 81 HB2 PHE 81 -0.720 8.540 -7.473 492 HB3 PHE 81 HB3 PHE 81 -2.086 8.844 -6.407 493 HD1 PHE 81 HD3 PHE 81 1.294 10.180 -7.265 494 HD2 PHE 81 HD2 PHE 81 -2.644 11.048 -5.893 495 HE1 PHE 81 HE1 PHE 81 1.793 12.592 -7.346 496 HE2 PHE 81 HE2 PHE 81 -2.141 13.455 -5.971 497 HZ PHE 81 HZ PHE 81 0.068 14.226 -6.697 498 H HIS 82 H HIS 82 -2.464 8.053 -4.055 499 HA HIS 82 HA HIS 82 -2.345 10.213 -2.275 500 HB2 HIS 82 HB2 HIS 82 -4.336 8.845 -2.744 501 HB3 HIS 82 HB3 HIS 82 -3.604 7.477 -1.940 502 HD2 HIS 82 HD2 HIS 82 -2.810 9.681 0.730 503 HE1 HIS 82 HE1 HIS 82 -7.014 9.380 1.144 504 HE2 HIS 82 HE2 HIS 82 -4.937 10.361 2.071 505 H CYS 83 H CYS 83 -1.334 6.784 -1.838 506 HA CYS 83 HA CYS 83 -0.578 7.215 0.837 507 HB2 CYS 83 HB2 CYS 83 0.038 4.859 -0.966 508 HB3 CYS 83 HB3 CYS 83 0.126 4.978 0.784 509 H ILE 84 H ILE 84 1.190 6.754 -2.227 510 HA ILE 84 HA ILE 84 3.692 6.778 -0.957 511 HB ILE 84 HB ILE 84 3.329 5.853 -3.293 512 HG12 ILE 84 HG12 ILE 84 5.509 6.697 -4.187 513 HG13 ILE 84 HG11 ILE 84 5.528 7.872 -2.902 514 HG21 ILE 84 HG21 ILE 84 2.027 7.714 -4.170 515 HG22 ILE 84 HG22 ILE 84 3.436 7.341 -5.184 516 HG23 ILE 84 HG23 ILE 84 3.471 8.743 -4.100 517 HD11 ILE 84 HD11 ILE 84 5.645 6.123 -1.221 518 HD12 ILE 84 HD31 ILE 84 5.506 4.890 -2.477 519 HD13 ILE 84 HD21 ILE 84 6.933 5.927 -2.404 520 H SER 85 H SER 85 1.746 9.366 -2.298 521 HA SER 85 HA SER 85 3.737 11.361 -2.160 522 HB2 SER 85 HB2 SER 85 0.737 11.702 -1.950 523 HB3 SER 85 HB3 SER 85 1.895 13.015 -2.174 524 HG SER 85 HG SER 85 1.122 10.969 -3.887 525 H ARG 86 H ARG 86 1.336 10.310 0.246 526 HA ARG 86 HA ARG 86 2.145 12.191 2.219 527 HB2 ARG 86 HB2 ARG 86 0.739 9.532 2.457 528 HB3 ARG 86 HB3 ARG 86 0.936 10.686 3.774 529 HG2 ARG 86 HG2 ARG 86 -0.447 11.296 1.189 530 HG3 ARG 86 HG3 ARG 86 -1.263 10.775 2.675 531 HD2 ARG 86 HD2 ARG 86 -0.463 12.748 3.838 532 HD3 ARG 86 HD3 ARG 86 0.500 13.231 2.446 533 HE ARG 86 HE ARG 86 -2.142 13.008 1.637 534 HH11 ARG 86 HH11 ARG 86 -0.101 15.062 3.705 535 HH12 ARG 86 HH12 ARG 86 -1.092 16.438 3.538 536 HH21 ARG 86 HH21 ARG 86 -3.505 14.942 1.411 537 HH22 ARG 86 HH22 ARG 86 -3.092 16.357 2.231 538 H TRP 87 H TRP 87 3.104 8.966 1.389 539 HA TRP 87 HA TRP 87 4.877 8.392 3.481 540 HB2 TRP 87 HB2 TRP 87 4.189 6.733 1.822 541 HB3 TRP 87 HB3 TRP 87 4.934 7.682 0.549 542 HD1 TRP 87 HD TRP 87 7.377 7.112 -0.046 543 HE1 TRP 87 HE1 TRP 87 9.173 5.665 1.042 544 HE3 TRP 87 HE3 TRP 87 4.953 5.969 4.292 545 HZ2 TRP 87 HZ2 TRP 87 9.527 4.204 3.459 546 HZ3 TRP 87 HZ3 TRP 87 6.088 4.532 5.959 547 HH2 TRP 87 HH TRP 87 8.332 3.673 5.542 548 H LEU 88 H LEU 88 5.339 9.962 0.385 549 HA LEU 88 HA LEU 88 8.075 10.505 0.749 550 HB2 LEU 88 HB2 LEU 88 6.048 11.580 -1.161 551 HB3 LEU 88 HB3 LEU 88 7.765 11.921 -1.281 552 HG LEU 88 HG LEU 88 6.600 9.160 -1.333 553 HD11 LEU 88 HD11 LEU 88 7.465 10.935 -3.586 554 HD12 LEU 88 HD12 LEU 88 5.831 10.332 -3.208 555 HD13 LEU 88 HD13 LEU 88 7.100 9.206 -3.679 556 HD21 LEU 88 HD21 LEU 88 8.818 8.521 -2.169 557 HD22 LEU 88 HD22 LEU 88 8.920 9.212 -0.564 558 HD23 LEU 88 HD23 LEU 88 9.385 10.170 -1.971 559 H LYS 89 H LYS 89 5.271 12.172 1.747 560 HA LYS 89 HA LYS 89 6.377 14.729 2.172 561 HB2 LYS 89 HB2 LYS 89 4.304 13.258 3.784 562 HB3 LYS 89 HB3 LYS 89 4.686 14.958 3.986 563 HG2 LYS 89 HG2 LYS 89 3.559 13.679 1.500 564 HG3 LYS 89 HG3 LYS 89 2.669 14.608 2.719 565 HD2 LYS 89 HD2 LYS 89 4.010 16.572 2.190 566 HD3 LYS 89 HD3 LYS 89 4.897 15.650 0.975 567 HE2 LYS 89 HE2 LYS 89 2.802 15.268 -0.251 568 HE3 LYS 89 HE1 LYS 89 1.932 16.200 0.959 569 HZ1 LYS 89 HZ1 LYS 89 3.972 17.183 -0.951 570 HZ2 LYS 89 HZ2 LYS 89 3.492 18.078 0.382 571 HZ3 LYS 89 HZ3 LYS 89 2.357 17.690 -0.810 572 H THR 90 H THR 90 6.365 11.749 4.036 573 HA THR 90 HA THR 90 8.037 13.041 6.030 574 HB THR 90 HB THR 90 6.139 11.992 6.995 575 HG1 THR 90 HG3 THR 90 8.547 11.467 7.749 576 HG21 THR 90 HG21 THR 90 5.807 9.505 6.879 577 HG22 THR 90 HG22 THR 90 7.005 9.480 5.558 578 HG23 THR 90 HG23 THR 90 5.509 10.376 5.378 579 H ARG 91 H ARG 91 8.352 10.758 3.419 580 HA ARG 91 HA ARG 91 11.074 10.064 4.327 581 HB2 ARG 91 HB2 ARG 91 9.087 8.241 2.981 582 HB3 ARG 91 HB3 ARG 91 10.756 7.838 3.324 583 HG2 ARG 91 HG2 ARG 91 8.671 8.473 5.390 584 HG3 ARG 91 HG3 ARG 91 9.175 6.862 4.916 585 HD2 ARG 91 HD2 ARG 91 11.414 7.236 5.699 586 HD3 ARG 91 HD3 ARG 91 11.078 8.938 5.994 587 HE ARG 91 HE ARG 91 9.744 6.759 7.443 588 HH11 ARG 91 HH11 ARG 91 11.499 9.835 7.439 589 HH12 ARG 91 HH12 ARG 91 11.229 10.171 9.076 590 HH21 ARG 91 HH21 ARG 91 9.363 7.211 9.716 591 HH22 ARG 91 HH22 ARG 91 10.014 8.607 10.427 592 H GLN 92 H GLN 92 12.580 9.647 2.669 593 HA GLN 92 HA GLN 92 11.900 10.901 0.095 594 HB2 GLN 92 HB2 GLN 92 14.499 10.276 1.417 595 HB3 GLN 92 HB3 GLN 92 14.373 10.885 -0.218 596 HG2 GLN 92 HG2 GLN 92 13.311 12.922 0.635 597 HG3 GLN 92 HG3 GLN 92 13.412 12.282 2.282 598 HE21 GLN 92 HE21 GLN 92 15.097 13.708 -0.304 599 HE22 GLN 92 HE22 GLN 92 16.618 13.939 0.507 600 H VAL 93 H VAL 93 12.117 7.855 1.382 601 HA VAL 93 HA VAL 93 13.300 6.708 -1.055 602 HB VAL 93 HB VAL 93 14.136 4.856 0.433 603 HG11 VAL 93 HG11 VAL 93 15.183 7.620 1.063 604 HG12 VAL 93 HG12 VAL 93 15.606 6.638 -0.347 605 HG13 VAL 93 HG13 VAL 93 16.056 6.092 1.264 606 HG21 VAL 93 HG21 VAL 93 12.657 5.201 2.339 607 HG22 VAL 93 HG22 VAL 93 13.343 6.811 2.554 608 HG23 VAL 93 HG23 VAL 93 14.349 5.392 2.849 609 H CYS 94 H CYS 94 12.620 4.572 -1.615 610 HA CYS 94 HA CYS 94 9.949 3.992 -1.615 611 HB2 CYS 94 HB2 CYS 94 12.293 2.137 -1.658 612 HB3 CYS 94 HB3 CYS 94 10.665 1.606 -2.013 613 HA PRO 95 HA PRO 95 9.105 2.563 2.598 614 HB2 PRO 95 HB2 PRO 95 7.224 0.748 1.245 615 HB3 PRO 95 HB3 PRO 95 6.903 1.926 2.512 616 HG2 PRO 95 HG2 PRO 95 6.123 2.379 0.000 617 HG3 PRO 95 HG3 PRO 95 6.774 3.717 1.000 618 HD2 PRO 95 HD2 PRO 95 8.056 2.115 -1.166 619 HD3 PRO 95 HD3 PRO 95 8.169 3.858 -0.841 620 H LEU 96 H LEU 96 9.589 0.532 -0.117 621 HA LEU 96 HA LEU 96 9.986 -1.890 1.503 622 HB2 LEU 96 HB2 LEU 96 9.957 -1.641 -1.508 623 HB3 LEU 96 HB3 LEU 96 9.748 -3.078 -0.541 624 HG LEU 96 HG LEU 96 7.815 -0.822 -0.740 625 HD11 LEU 96 HD11 LEU 96 7.756 -3.594 -1.912 626 HD12 LEU 96 HD12 LEU 96 7.797 -2.051 -2.765 627 HD13 LEU 96 HD13 LEU 96 6.370 -2.509 -1.848 628 HD21 LEU 96 HD21 LEU 96 7.668 -1.757 1.467 629 HD22 LEU 96 HD22 LEU 96 7.709 -3.396 0.827 630 HD23 LEU 96 HD23 LEU 96 6.298 -2.374 0.538 631 H ASP 97 H ASP 97 11.465 -0.118 -1.140 632 HA ASP 97 HA ASP 97 13.880 -1.663 -1.177 633 HB2 ASP 97 HB2 ASP 97 12.946 0.754 -2.631 634 HB3 ASP 97 HB3 ASP 97 14.669 0.412 -2.615 635 H ASN 98 H ASN 98 12.884 1.279 0.390 636 HA ASN 98 HA ASN 98 13.927 2.892 1.546 637 HB2 ASN 98 HB2 ASN 98 15.826 0.614 2.043 638 HB3 ASN 98 HB3 ASN 98 16.085 2.192 2.766 639 HD21 ASN 98 HD21 ASN 98 15.903 1.264 4.806 640 HD22 ASN 98 HD22 ASN 98 14.388 0.810 5.496 641 H ARG 99 H ARG 99 14.379 2.603 -1.238 642 HA ARG 99 HA ARG 99 17.028 3.844 -1.651 643 HB2 ARG 99 HB2 ARG 99 15.101 2.583 -3.613 644 HB3 ARG 99 HB3 ARG 99 16.649 3.297 -4.036 645 HG2 ARG 99 HG2 ARG 99 16.450 1.082 -2.100 646 HG3 ARG 99 HG3 ARG 99 16.443 0.745 -3.850 647 HD2 ARG 99 HD2 ARG 99 18.703 0.499 -3.052 648 HD3 ARG 99 HD3 ARG 99 18.615 2.005 -3.958 649 HE ARG 99 HE ARG 99 18.941 3.197 -2.038 650 HH11 ARG 99 HH11 ARG 99 18.543 -0.262 -1.211 651 HH12 ARG 99 HH12 ARG 99 19.205 -0.051 0.350 652 HH21 ARG 99 HH21 ARG 99 19.821 3.390 0.167 653 HH22 ARG 99 HH22 ARG 99 19.915 1.970 1.120 654 H GLU 100 H GLU 100 16.958 5.786 -2.929 655 HA GLU 100 HA GLU 100 14.880 7.529 -2.157 656 HB2 GLU 100 HB2 GLU 100 17.210 8.260 -2.825 657 HB3 GLU 100 HB3 GLU 100 16.771 7.942 -4.487 658 HG2 GLU 100 HG2 GLU 100 15.112 9.688 -4.453 659 HG3 GLU 100 HG3 GLU 100 15.387 9.950 -2.732 660 H TRP 101 H TRP 101 12.923 7.999 -3.004 661 HA TRP 101 HA TRP 101 12.033 6.206 -5.059 662 HB2 TRP 101 HB2 TRP 101 10.491 6.332 -3.261 663 HB3 TRP 101 HB3 TRP 101 10.602 8.051 -3.135 664 HD1 TRP 101 HD TRP 101 9.218 9.494 -4.900 665 HE1 TRP 101 HE1 TRP 101 7.134 8.948 -6.302 666 HE3 TRP 101 HE3 TRP 101 9.327 4.469 -4.463 667 HZ2 TRP 101 HZ2 TRP 101 5.714 6.665 -7.111 668 HZ3 TRP 101 HZ3 TRP 101 7.553 3.143 -5.587 669 HH2 TRP 101 HH TRP 101 5.785 4.258 -6.882 670 H GLU 102 H GLU 102 11.546 6.751 -7.175 671 HA GLU 102 HA GLU 102 11.239 9.586 -7.882 672 HB2 GLU 102 HB2 GLU 102 12.475 7.358 -9.488 673 HB3 GLU 102 HB3 GLU 102 11.865 8.794 -10.270 674 HG2 GLU 102 HG2 GLU 102 14.096 9.252 -10.098 675 HG3 GLU 102 HG3 GLU 102 13.497 10.015 -8.634 676 H PHE 103 H PHE 103 9.512 10.141 -9.120 677 HA PHE 103 HA PHE 103 7.359 8.181 -9.393 678 HB2 PHE 103 HB2 PHE 103 7.510 11.146 -9.938 679 HB3 PHE 103 HB3 PHE 103 6.125 10.184 -10.393 680 HD1 PHE 103 HD2 PHE 103 4.807 9.104 -8.609 681 HD2 PHE 103 HD3 PHE 103 7.809 11.960 -7.822 682 HE1 PHE 103 HE2 PHE 103 3.792 9.523 -6.392 683 HE2 PHE 103 HE1 PHE 103 6.824 12.412 -5.597 684 HZ PHE 103 HZ PHE 103 4.801 11.185 -4.891 685 H GLN 104 H GLN 104 7.380 6.913 -11.126 686 HA GLN 104 HA GLN 104 8.559 7.654 -13.640 687 HB2 GLN 104 HB2 GLN 104 8.308 5.281 -12.816 688 HB3 GLN 104 HB3 GLN 104 6.585 5.455 -13.026 689 HG2 GLN 104 HG2 GLN 104 7.409 4.289 -14.917 690 HG3 GLN 104 HG3 GLN 104 6.951 5.916 -15.424 691 HE21 GLN 104 HE21 GLN 104 9.539 3.687 -14.953 692 HE22 GLN 104 HE22 GLN 104 10.782 4.604 -15.715 693 H LYS 105 H LYS 105 5.334 7.436 -12.276 694 HA LYS 105 HA LYS 105 4.259 9.474 -14.021 695 HB2 LYS 105 HB2 LYS 105 4.036 7.147 -15.202 696 HB3 LYS 105 HB3 LYS 105 2.941 6.787 -13.871 697 HG2 LYS 105 HG2 LYS 105 1.435 7.422 -15.475 698 HG3 LYS 105 HG3 LYS 105 1.742 8.972 -14.694 699 HD2 LYS 105 HD2 LYS 105 3.227 8.025 -17.146 700 HD3 LYS 105 HD3 LYS 105 1.757 8.975 -17.234 701 HE2 LYS 105 HE2 LYS 105 2.872 10.793 -15.987 702 HE3 LYS 105 HE1 LYS 105 4.325 9.796 -15.893 703 HZ1 LYS 105 HZ1 LYS 105 4.590 9.886 -18.213 704 HZ2 LYS 105 HZ2 LYS 105 4.383 11.479 -17.684 705 HZ3 LYS 105 HZ3 LYS 105 3.112 10.669 -18.462 706 H TYR 106 H TYR 106 2.402 10.422 -12.933 707 HA TYR 106 HA TYR 106 1.518 9.003 -10.572 708 HB2 TYR 106 HB2 TYR 106 1.780 10.994 -9.112 709 HB3 TYR 106 HB3 TYR 106 3.295 10.301 -9.645 710 HD1 TYR 106 HD3 TYR 106 4.758 11.538 -11.158 711 HD2 TYR 106 HD2 TYR 106 1.071 13.212 -9.831 712 HE1 TYR 106 HE1 TYR 106 5.515 13.768 -11.872 713 HE2 TYR 106 HE2 TYR 106 1.820 15.438 -10.549 714 HH TYR 106 HH TYR 106 4.578 15.889 -12.505 715 H GLY 107 H GLY 107 -0.379 9.848 -9.559 716 HA2 GLY 107 HA2 GLY 107 -2.244 11.458 -9.732 717 HA3 GLY 107 HA3 GLY 107 -2.095 11.275 -11.478 718 H HIS 108 H HIS 108 -3.472 9.938 -12.392 719 HA HIS 108 HA HIS 108 -4.017 7.434 -11.047 720 HB2 HIS 108 HB2 HIS 108 -6.428 7.568 -11.733 721 HB3 HIS 108 HB3 HIS 108 -5.962 8.775 -10.536 722 HD2 HIS 108 HD2 HIS 108 -7.879 8.622 -13.746 723 HE1 HIS 108 HE1 HIS 108 -6.419 12.596 -13.437 724 HE2 HIS 108 HE2 HIS 108 -8.324 11.068 -14.241 Start of MODEL 19 1 H1 GLY 9 H GLY 9 -27.979 29.068 -26.263 2 HA2 GLY 9 HA2 GLY 9 -27.277 27.143 -24.157 3 HA3 GLY 9 HA3 GLY 9 -27.317 26.812 -25.886 4 H GLY 10 H GLY 10 -25.308 27.209 -23.350 5 HA2 GLY 10 HA2 GLY 10 -22.938 26.798 -24.221 6 HA3 GLY 10 HA3 GLY 10 -23.157 28.357 -25.008 7 H GLY 11 H GLY 11 -23.770 27.019 -21.761 8 HA2 GLY 11 HA2 GLY 11 -22.453 29.437 -20.697 9 HA3 GLY 11 HA3 GLY 11 -23.759 28.593 -19.885 10 H GLY 12 H GLY 12 -22.951 25.980 -20.152 11 HA2 GLY 12 HA2 GLY 12 -21.420 24.425 -19.373 12 HA3 GLY 12 HA3 GLY 12 -20.264 25.729 -19.093 13 H THR 13 H THR 13 -19.970 24.386 -17.047 14 HA THR 13 HA THR 13 -21.679 25.604 -15.046 15 HB THR 13 HB THR 13 -22.708 23.441 -15.295 16 HG1 THR 13 HG3 THR 13 -22.143 24.226 -13.090 17 HG21 THR 13 HG21 THR 13 -19.969 22.233 -14.930 18 HG22 THR 13 HG22 THR 13 -20.873 22.282 -16.440 19 HG23 THR 13 HG23 THR 13 -21.477 21.332 -15.078 20 H ASN 14 H ASN 14 -20.724 25.749 -12.977 21 HA ASN 14 HA ASN 14 -17.809 25.858 -13.069 22 HB2 ASN 14 HB2 ASN 14 -18.994 27.888 -12.342 23 HB3 ASN 14 HB3 ASN 14 -19.789 26.971 -11.070 24 HD21 ASN 14 HD21 ASN 14 -16.384 26.621 -11.986 25 HD22 ASN 14 HD22 ASN 14 -15.760 27.229 -10.500 26 H SER 15 H SER 15 -16.706 24.203 -12.261 27 HA SER 15 HA SER 15 -17.940 22.125 -10.805 28 HB2 SER 15 HB2 SER 15 -14.990 22.695 -11.108 29 HB3 SER 15 HB3 SER 15 -15.741 21.142 -10.745 30 HG SER 15 HG SER 15 -15.166 22.073 -13.109 31 H GLY 16 H GLY 16 -18.174 21.845 -8.703 32 HA2 GLY 16 HA2 GLY 16 -16.899 23.782 -6.879 33 HA3 GLY 16 HA3 GLY 16 -18.435 22.978 -6.579 34 H ALA 17 H ALA 17 -15.652 21.374 -7.888 35 HA ALA 17 HA ALA 17 -15.753 19.437 -5.781 36 HB1 ALA 17 HB1 ALA 17 -13.991 18.267 -7.037 37 HB2 ALA 17 HB2 ALA 17 -13.853 19.652 -8.123 38 HB3 ALA 17 HB3 ALA 17 -15.339 18.711 -8.086 39 H GLY 18 H GLY 18 -15.273 20.840 -4.073 40 HA2 GLY 18 HA2 GLY 18 -12.404 21.082 -3.602 41 HA3 GLY 18 HA3 GLY 18 -13.363 22.553 -3.496 42 H LYS 19 H LYS 19 -14.774 19.547 -2.589 43 HA LYS 19 HA LYS 19 -15.208 20.512 0.060 44 HB2 LYS 19 HB2 LYS 19 -15.852 17.863 -1.242 45 HB3 LYS 19 HB3 LYS 19 -16.303 18.280 0.411 46 HG2 LYS 19 HG2 LYS 19 -17.666 20.123 -0.429 47 HG3 LYS 19 HG3 LYS 19 -17.181 19.735 -2.078 48 HD2 LYS 19 HD2 LYS 19 -18.212 17.507 -1.828 49 HD3 LYS 19 HD3 LYS 19 -18.741 17.956 -0.204 50 HE2 LYS 19 HE2 LYS 19 -19.510 19.451 -2.709 51 HE3 LYS 19 HE1 LYS 19 -20.496 18.182 -1.978 52 HZ1 LYS 19 HZ1 LYS 19 -21.214 20.401 -1.329 53 HZ2 LYS 19 HZ2 LYS 19 -19.714 20.726 -0.605 54 HZ3 LYS 19 HZ3 LYS 19 -20.696 19.515 0.008 55 H LYS 20 H LYS 20 -14.581 19.416 1.987 56 HA LYS 20 HA LYS 20 -11.784 19.043 1.993 57 HB2 LYS 20 HB2 LYS 20 -12.985 20.066 3.856 58 HB3 LYS 20 HB3 LYS 20 -13.833 18.556 4.152 59 HG2 LYS 20 HG2 LYS 20 -12.097 18.808 5.773 60 HG3 LYS 20 HG3 LYS 20 -11.664 17.497 4.682 61 HD2 LYS 20 HD2 LYS 20 -10.157 18.973 3.467 62 HD3 LYS 20 HD3 LYS 20 -10.644 20.333 4.491 63 HE2 LYS 20 HE2 LYS 20 -9.753 19.186 6.443 64 HE3 LYS 20 HE1 LYS 20 -9.301 17.811 5.446 65 HZ1 LYS 20 HZ1 LYS 20 -7.792 19.290 4.209 66 HZ2 LYS 20 HZ2 LYS 20 -7.414 19.224 5.865 67 HZ3 LYS 20 HZ3 LYS 20 -8.201 20.566 5.247 68 H ARG 21 H ARG 21 -10.801 17.311 1.318 69 HA ARG 21 HA ARG 21 -11.993 14.659 1.802 70 HB2 ARG 21 HB2 ARG 21 -11.474 15.498 -0.596 71 HB3 ARG 21 HB3 ARG 21 -9.785 15.310 -0.145 72 HG2 ARG 21 HG2 ARG 21 -10.361 13.360 -1.328 73 HG3 ARG 21 HG3 ARG 21 -10.332 12.895 0.371 74 HD2 ARG 21 HD2 ARG 21 -12.852 13.677 -1.100 75 HD3 ARG 21 HD3 ARG 21 -12.291 12.017 -0.970 76 HE ARG 21 HE ARG 21 -12.502 12.293 1.479 77 HH11 ARG 21 HH11 ARG 21 -14.454 14.398 -0.630 78 HH12 ARG 21 HH12 ARG 21 -15.656 14.649 0.550 79 HH21 ARG 21 HH21 ARG 21 -14.147 12.662 3.045 80 HH22 ARG 21 HH22 ARG 21 -15.483 13.667 2.700 81 H PHE 22 H PHE 22 -10.789 13.253 3.103 82 HA PHE 22 HA PHE 22 -8.599 14.621 4.422 83 HB2 PHE 22 HB2 PHE 22 -10.125 12.189 5.326 84 HB3 PHE 22 HB3 PHE 22 -8.902 13.031 6.249 85 HD1 PHE 22 HD2 PHE 22 -9.289 15.399 6.966 86 HD2 PHE 22 HD3 PHE 22 -12.378 12.988 5.292 87 HE1 PHE 22 HE2 PHE 22 -10.983 16.941 7.868 88 HE2 PHE 22 HE1 PHE 22 -14.073 14.529 6.192 89 HZ PHE 22 HZ PHE 22 -13.374 16.507 7.481 90 H GLU 23 H GLU 23 -6.676 13.769 4.840 91 HA GLU 23 HA GLU 23 -5.652 11.943 2.829 92 HB2 GLU 23 HB2 GLU 23 -4.281 13.536 4.984 93 HB3 GLU 23 HB3 GLU 23 -3.468 12.600 3.734 94 HG2 GLU 23 HG2 GLU 23 -4.444 14.042 2.024 95 HG3 GLU 23 HG3 GLU 23 -5.266 14.970 3.272 96 H VAL 24 H VAL 24 -4.335 10.098 3.394 97 HA VAL 24 HA VAL 24 -5.222 8.746 5.734 98 HB VAL 24 HB VAL 24 -3.590 6.941 5.095 99 HG11 VAL 24 HG11 VAL 24 -5.436 7.880 2.901 100 HG12 VAL 24 HG12 VAL 24 -5.877 6.869 4.277 101 HG13 VAL 24 HG13 VAL 24 -4.772 6.255 3.048 102 HG21 VAL 24 HG21 VAL 24 -1.874 8.275 4.015 103 HG22 VAL 24 HG22 VAL 24 -3.003 8.767 2.753 104 HG23 VAL 24 HG23 VAL 24 -2.495 7.084 2.875 105 H LYS 25 H LYS 25 -4.450 8.836 7.654 106 HA LYS 25 HA LYS 25 -2.327 10.703 8.229 107 HB2 LYS 25 HB2 LYS 25 -4.147 9.068 10.007 108 HB3 LYS 25 HB3 LYS 25 -3.005 10.277 10.574 109 HG2 LYS 25 HG2 LYS 25 -4.220 12.000 9.370 110 HG3 LYS 25 HG3 LYS 25 -5.337 10.784 8.742 111 HD2 LYS 25 HD2 LYS 25 -6.017 10.245 11.038 112 HD3 LYS 25 HD3 LYS 25 -4.916 11.486 11.644 113 HE2 LYS 25 HE2 LYS 25 -6.160 13.195 10.440 114 HE3 LYS 25 HE1 LYS 25 -7.240 11.960 9.785 115 HZ1 LYS 25 HZ1 LYS 25 -7.960 11.461 12.048 116 HZ2 LYS 25 HZ2 LYS 25 -8.240 13.067 11.648 117 HZ3 LYS 25 HZ3 LYS 25 -6.924 12.665 12.651 118 H LYS 26 H LYS 26 -0.481 10.196 9.485 119 HA LYS 26 HA LYS 26 0.755 7.719 9.075 120 HB2 LYS 26 HB2 LYS 26 2.459 8.418 10.637 121 HB3 LYS 26 HB3 LYS 26 1.983 9.821 9.705 122 HG2 LYS 26 HG2 LYS 26 0.919 9.228 12.463 123 HG3 LYS 26 HG3 LYS 26 2.366 10.186 12.175 124 HD2 LYS 26 HD2 LYS 26 1.020 11.787 10.876 125 HD3 LYS 26 HD3 LYS 26 -0.417 10.802 11.170 126 HE2 LYS 26 HE2 LYS 26 -0.361 12.670 12.707 127 HE3 LYS 26 HE1 LYS 26 -0.145 11.159 13.585 128 HZ1 LYS 26 HZ1 LYS 26 2.091 12.968 12.785 129 HZ2 LYS 26 HZ2 LYS 26 2.181 11.569 13.764 130 HZ3 LYS 26 HZ3 LYS 26 1.369 12.919 14.316 131 H SER 27 H SER 27 0.967 5.887 10.356 132 HA SER 27 HA SER 27 0.377 4.269 11.735 133 HB2 SER 27 HB2 SER 27 -0.832 6.418 13.494 134 HB3 SER 27 HB3 SER 27 -0.543 4.741 13.976 135 HG SER 27 HG SER 27 1.638 6.052 12.898 136 H ASN 28 H ASN 28 -2.181 6.550 11.038 137 HA ASN 28 HA ASN 28 -4.358 4.725 10.991 138 HB2 ASN 28 HB2 ASN 28 -4.641 7.166 10.832 139 HB3 ASN 28 HB3 ASN 28 -3.791 7.166 9.290 140 HD21 ASN 28 HD21 ASN 28 -6.332 4.952 10.456 141 HD22 ASN 28 HD22 ASN 28 -7.452 5.370 9.216 142 H ALA 29 H ALA 29 -1.982 5.774 8.593 143 HA ALA 29 HA ALA 29 -2.634 3.633 6.754 144 HB1 ALA 29 HB1 ALA 29 -0.742 4.559 5.447 145 HB2 ALA 29 HB2 ALA 29 -0.425 5.696 6.760 146 HB3 ALA 29 HB3 ALA 29 -1.934 5.797 5.853 147 H SER 30 H SER 30 -1.016 1.983 6.198 148 HA SER 30 HA SER 30 0.275 1.106 8.616 149 HB2 SER 30 HB2 SER 30 -0.137 -0.329 5.988 150 HB3 SER 30 HB3 SER 30 0.413 -1.053 7.505 151 HG SER 30 HG SER 30 -1.793 -1.389 7.214 152 H ALA 31 H ALA 31 1.912 2.734 8.480 153 HA ALA 31 HA ALA 31 3.881 2.753 6.446 154 HB1 ALA 31 HB1 ALA 31 4.153 3.553 9.349 155 HB2 ALA 31 HB2 ALA 31 3.680 4.616 8.026 156 HB3 ALA 31 HB3 ALA 31 5.306 3.936 8.074 157 H GLN 32 H GLN 32 3.467 0.896 9.377 158 HA GLN 32 HA GLN 32 5.914 -0.588 8.871 159 HB2 GLN 32 HB2 GLN 32 3.800 -0.984 11.008 160 HB3 GLN 32 HB3 GLN 32 5.284 -1.904 10.885 161 HG2 GLN 32 HG2 GLN 32 5.768 -0.376 12.545 162 HG3 GLN 32 HG3 GLN 32 6.448 0.392 11.117 163 HE21 GLN 32 HE21 GLN 32 3.871 0.448 13.445 164 HE22 GLN 32 HE22 GLN 32 3.309 2.040 13.131 165 H SER 33 H SER 33 5.236 -1.310 6.801 166 HA SER 33 HA SER 33 2.909 -3.025 6.686 167 HB2 SER 33 HB2 SER 33 3.564 -1.274 4.913 168 HB3 SER 33 HB3 SER 33 4.795 -2.417 4.408 169 HG SER 33 HG SER 33 2.231 -2.342 3.843 170 H ALA 34 H ALA 34 3.420 -4.956 5.059 171 HA ALA 34 HA ALA 34 4.888 -6.834 6.609 172 HB1 ALA 34 HB1 ALA 34 4.345 -8.424 4.836 173 HB2 ALA 34 HB2 ALA 34 3.802 -7.094 3.807 174 HB3 ALA 34 HB3 ALA 34 2.932 -7.471 5.292 175 H TRP 35 H TRP 35 6.828 -7.870 6.177 176 HA TRP 35 HA TRP 35 8.834 -6.356 4.892 177 HB2 TRP 35 HB2 TRP 35 9.305 -7.951 6.746 178 HB3 TRP 35 HB3 TRP 35 8.945 -9.283 5.651 179 HD1 TRP 35 HD TRP 35 11.591 -6.613 6.342 180 HE1 TRP 35 HE1 TRP 35 13.740 -7.221 5.089 181 HE3 TRP 35 HE3 TRP 35 9.833 -10.536 3.614 182 HZ2 TRP 35 HZ2 TRP 35 14.593 -9.124 3.173 183 HZ3 TRP 35 HZ3 TRP 35 11.375 -11.706 2.077 184 HH2 TRP 35 HH TRP 35 13.706 -11.008 1.865 185 H ASP 36 H ASP 36 7.005 -9.216 3.942 186 HA ASP 36 HA ASP 36 8.238 -9.535 1.417 187 HB2 ASP 36 HB2 ASP 36 6.930 -11.335 2.466 188 HB3 ASP 36 HB3 ASP 36 5.473 -10.353 2.338 189 H ILE 37 H ILE 37 7.783 -8.610 -0.505 190 HA ILE 37 HA ILE 37 5.850 -6.404 -0.365 191 HB ILE 37 HB ILE 37 7.344 -5.049 -1.742 192 HG12 ILE 37 HG12 ILE 37 9.303 -7.313 -1.390 193 HG13 ILE 37 HG11 ILE 37 8.458 -6.952 -2.874 194 HG21 ILE 37 HG21 ILE 37 8.719 -6.189 0.689 195 HG22 ILE 37 HG22 ILE 37 7.465 -4.971 0.742 196 HG23 ILE 37 HG23 ILE 37 9.027 -4.602 -0.005 197 HD11 ILE 37 HD11 ILE 37 10.430 -5.138 -1.504 198 HD12 ILE 37 HD31 ILE 37 10.716 -6.088 -2.967 199 HD13 ILE 37 HD21 ILE 37 9.537 -4.776 -2.984 200 H VAL 38 H VAL 38 4.467 -6.203 -1.905 201 HA VAL 38 HA VAL 38 4.929 -7.445 -4.517 202 HB VAL 38 HB VAL 38 2.356 -7.466 -2.892 203 HG11 VAL 38 HG11 VAL 38 2.745 -8.261 -5.775 204 HG12 VAL 38 HG12 VAL 38 1.731 -6.947 -5.154 205 HG13 VAL 38 HG13 VAL 38 1.314 -8.618 -4.813 206 HG21 VAL 38 HG21 VAL 38 3.939 -9.251 -2.352 207 HG22 VAL 38 HG22 VAL 38 3.970 -9.742 -4.043 208 HG23 VAL 38 HG23 VAL 38 2.481 -9.888 -3.107 209 H VAL 39 H VAL 39 4.550 -6.065 -6.219 210 HA VAL 39 HA VAL 39 3.863 -3.323 -5.526 211 HB VAL 39 HB VAL 39 4.381 -2.813 -7.956 212 HG11 VAL 39 HG11 VAL 39 5.918 -2.294 -6.270 213 HG12 VAL 39 HG12 VAL 39 6.822 -3.015 -7.607 214 HG13 VAL 39 HG13 VAL 39 6.482 -3.961 -6.144 215 HG21 VAL 39 HG21 VAL 39 4.084 -5.055 -8.876 216 HG22 VAL 39 HG22 VAL 39 5.427 -5.646 -7.893 217 HG23 VAL 39 HG23 VAL 39 5.721 -4.478 -9.173 218 H ASP 40 H ASP 40 2.167 -5.914 -6.430 219 HA ASP 40 HA ASP 40 0.177 -4.391 -7.895 220 HB2 ASP 40 HB2 ASP 40 0.024 -7.257 -6.929 221 HB3 ASP 40 HB3 ASP 40 -1.161 -6.383 -7.915 222 H ASN 41 H ASN 41 1.100 -4.518 -4.822 223 HA ASN 41 HA ASN 41 -1.568 -3.801 -3.912 224 HB2 ASN 41 HB2 ASN 41 0.544 -5.366 -2.433 225 HB3 ASN 41 HB3 ASN 41 -0.778 -4.549 -1.613 226 HD21 ASN 41 HD21 ASN 41 -2.867 -5.291 -1.922 227 HD22 ASN 41 HD22 ASN 41 -3.219 -6.880 -2.467 228 H CYS 42 H CYS 42 -1.668 -1.997 -2.685 229 HA CYS 42 HA CYS 42 0.652 -0.249 -2.624 230 HB2 CYS 42 HB2 CYS 42 -1.836 0.488 -2.893 231 HB3 CYS 42 HB3 CYS 42 -1.984 0.077 -1.224 232 H ALA 43 H ALA 43 2.099 -0.625 -1.056 233 HA ALA 43 HA ALA 43 1.502 -2.436 1.076 234 HB1 ALA 43 HB1 ALA 43 3.789 -2.069 1.805 235 HB2 ALA 43 HB2 ALA 43 3.931 -0.685 0.722 236 HB3 ALA 43 HB3 ALA 43 3.726 -2.311 0.057 237 H ILE 44 H ILE 44 1.342 0.913 0.634 238 HA ILE 44 HA ILE 44 1.937 1.746 3.276 239 HB ILE 44 HB ILE 44 0.611 3.262 1.013 240 HG12 ILE 44 HG12 ILE 44 3.523 2.904 1.805 241 HG13 ILE 44 HG11 ILE 44 2.723 2.283 0.424 242 HG21 ILE 44 HG21 ILE 44 2.038 4.205 3.521 243 HG22 ILE 44 HG22 ILE 44 0.298 4.338 3.209 244 HG23 ILE 44 HG23 ILE 44 1.444 5.245 2.220 245 HD11 ILE 44 HD11 ILE 44 2.336 4.457 -0.509 246 HD12 ILE 44 HD31 ILE 44 3.050 5.222 0.909 247 HD13 ILE 44 HD21 ILE 44 4.053 4.240 -0.158 248 H CYS 45 H CYS 45 -1.057 1.365 1.465 249 HA CYS 45 HA CYS 45 -2.563 1.717 3.966 250 HB2 CYS 45 HB2 CYS 45 -4.570 1.772 2.499 251 HB3 CYS 45 HB3 CYS 45 -3.382 2.998 2.057 252 H ARG 46 H ARG 46 -1.316 -0.565 1.853 253 HA ARG 46 HA ARG 46 -1.162 -2.758 1.851 254 HB2 ARG 46 HB2 ARG 46 -1.335 -2.510 4.351 255 HB3 ARG 46 HB3 ARG 46 -3.040 -2.888 4.211 256 HG2 ARG 46 HG2 ARG 46 -1.910 -4.851 4.828 257 HG3 ARG 46 HG3 ARG 46 -2.420 -5.046 3.154 258 HD2 ARG 46 HD2 ARG 46 -0.157 -4.384 2.401 259 HD3 ARG 46 HD3 ARG 46 0.353 -4.273 4.083 260 HE ARG 46 HE ARG 46 -0.546 -6.789 3.917 261 HH11 ARG 46 HH11 ARG 46 1.759 -4.918 1.978 262 HH12 ARG 46 HH12 ARG 46 2.615 -6.252 1.427 263 HH21 ARG 46 HH21 ARG 46 0.645 -8.654 3.178 264 HH22 ARG 46 HH22 ARG 46 1.981 -8.468 2.134 265 H ASN 47 H ASN 47 -3.284 -1.208 0.562 266 HA ASN 47 HA ASN 47 -5.257 -3.374 0.190 267 HB2 ASN 47 HB2 ASN 47 -6.174 -1.014 0.598 268 HB3 ASN 47 HB3 ASN 47 -5.516 -0.584 -0.973 269 HD21 ASN 47 HD21 ASN 47 -7.603 -0.117 -1.803 270 HD22 ASN 47 HD22 ASN 47 -8.699 -1.372 -2.194 271 H HIS 48 H HIS 48 -6.073 -3.506 -2.181 272 HA HIS 48 HA HIS 48 -3.838 -4.415 -3.718 273 HB2 HIS 48 HB2 HIS 48 -6.065 -5.538 -3.724 274 HB3 HIS 48 HB3 HIS 48 -6.737 -4.148 -4.565 275 HD2 HIS 48 HD2 HIS 48 -3.627 -6.446 -5.417 276 HE1 HIS 48 HE1 HIS 48 -6.050 -5.986 -8.865 277 HE2 HIS 48 HE2 HIS 48 -4.030 -7.103 -7.919 278 H ILE 49 H ILE 49 -3.222 -3.697 -5.848 279 HA ILE 49 HA ILE 49 -2.800 -0.997 -6.101 280 HB ILE 49 HB ILE 49 -1.497 -2.843 -7.219 281 HG12 ILE 49 HG12 ILE 49 -1.059 -1.523 -9.352 282 HG13 ILE 49 HG11 ILE 49 -2.446 -0.542 -8.918 283 HG21 ILE 49 HG21 ILE 49 -3.797 -2.790 -9.140 284 HG22 ILE 49 HG22 ILE 49 -3.320 -4.134 -8.113 285 HG23 ILE 49 HG23 ILE 49 -2.266 -3.622 -9.444 286 HD11 ILE 49 HD11 ILE 49 -0.024 -0.900 -7.217 287 HD12 ILE 49 HD31 ILE 49 -0.317 0.485 -8.279 288 HD13 ILE 49 HD21 ILE 49 -1.394 0.197 -6.914 289 H MET 50 H MET 50 -3.576 0.509 -7.615 290 HA MET 50 HA MET 50 -5.240 1.824 -8.256 291 HB2 MET 50 HB2 MET 50 -6.225 1.211 -10.461 292 HB3 MET 50 HB3 MET 50 -4.494 0.969 -10.380 293 HG2 MET 50 HG2 MET 50 -4.856 -1.432 -10.073 294 HG3 MET 50 HG3 MET 50 -6.599 -1.179 -10.178 295 HE1 MET 50 HE1 MET 50 -6.795 -2.983 -12.099 296 HE2 MET 50 HE2 MET 50 -5.058 -3.278 -11.963 297 HE3 MET 50 HE3 MET 50 -5.781 -2.989 -13.547 298 H ASP 51 H ASP 51 -6.298 1.401 -6.215 299 HA ASP 51 HA ASP 51 -9.127 1.094 -6.702 300 HB2 ASP 51 HB2 ASP 51 -8.213 -1.230 -6.047 301 HB3 ASP 51 HB3 ASP 51 -7.879 -0.538 -4.465 302 H LEU 52 H LEU 52 -10.189 1.432 -4.310 303 HA LEU 52 HA LEU 52 -9.448 4.021 -3.372 304 HB2 LEU 52 HB2 LEU 52 -11.325 1.895 -2.379 305 HB3 LEU 52 HB3 LEU 52 -11.122 3.438 -1.579 306 HG LEU 52 HG LEU 52 -11.977 3.222 -4.463 307 HD11 LEU 52 HD11 LEU 52 -13.630 2.051 -3.170 308 HD12 LEU 52 HD12 LEU 52 -14.275 3.646 -3.565 309 HD13 LEU 52 HD13 LEU 52 -13.654 3.315 -1.953 310 HD21 LEU 52 HD21 LEU 52 -11.108 5.381 -3.864 311 HD22 LEU 52 HD22 LEU 52 -12.013 5.370 -2.367 312 HD23 LEU 52 HD23 LEU 52 -12.877 5.507 -3.909 313 H CYS 53 H CYS 53 -8.342 4.578 -1.471 314 HA CYS 53 HA CYS 53 -6.652 2.569 -0.289 315 HB2 CYS 53 HB2 CYS 53 -7.104 5.331 0.840 316 HB3 CYS 53 HB3 CYS 53 -5.660 4.334 0.917 317 H ILE 54 H ILE 54 -6.529 2.556 2.113 318 HA ILE 54 HA ILE 54 -8.401 1.040 3.325 319 HB ILE 54 HB ILE 54 -7.596 2.193 5.515 320 HG12 ILE 54 HG12 ILE 54 -5.709 3.414 3.460 321 HG13 ILE 54 HG11 ILE 54 -6.697 4.240 4.595 322 HG21 ILE 54 HG21 ILE 54 -5.565 0.963 5.443 323 HG22 ILE 54 HG22 ILE 54 -5.786 0.662 3.704 324 HG23 ILE 54 HG23 ILE 54 -6.952 0.019 4.894 325 HD11 ILE 54 HD11 ILE 54 -4.371 2.538 5.339 326 HD12 ILE 54 HD31 ILE 54 -4.464 4.308 5.282 327 HD13 ILE 54 HD21 ILE 54 -5.459 3.416 6.441 328 H GLU 55 H GLU 55 -8.117 4.418 4.127 329 HA GLU 55 HA GLU 55 -10.715 4.435 5.419 330 HB2 GLU 55 HB2 GLU 55 -8.672 6.605 5.098 331 HB3 GLU 55 HB3 GLU 55 -10.024 6.586 6.213 332 HG2 GLU 55 HG2 GLU 55 -7.815 4.568 6.291 333 HG3 GLU 55 HG3 GLU 55 -7.791 5.970 7.326 334 H CYS 56 H CYS 56 -9.143 5.360 2.545 335 HA CYS 56 HA CYS 56 -10.640 7.619 1.844 336 HB2 CYS 56 HB2 CYS 56 -9.222 5.647 0.067 337 HB3 CYS 56 HB3 CYS 56 -9.885 7.173 -0.485 338 H GLN 57 H GLN 57 -11.197 4.219 1.137 339 HA GLN 57 HA GLN 57 -13.454 4.513 -0.500 340 HB2 GLN 57 HB2 GLN 57 -14.142 2.249 0.320 341 HB3 GLN 57 HB3 GLN 57 -12.486 2.328 -0.265 342 HG2 GLN 57 HG2 GLN 57 -11.684 2.440 2.027 343 HG3 GLN 57 HG3 GLN 57 -13.348 2.384 2.615 344 HE21 GLN 57 HE21 GLN 57 -11.075 0.590 3.067 345 HE22 GLN 57 HE22 GLN 57 -11.600 -0.972 2.577 346 H ALA 58 H ALA 58 -13.265 4.349 3.013 347 HA ALA 58 HA ALA 58 -16.055 4.708 3.465 348 HB1 ALA 58 HB1 ALA 58 -15.403 5.001 5.805 349 HB2 ALA 58 HB2 ALA 58 -13.721 5.162 5.321 350 HB3 ALA 58 HB3 ALA 58 -14.560 3.621 5.091 351 H ASN 59 H ASN 59 -13.268 6.768 3.286 352 HA ASN 59 HA ASN 59 -14.294 9.198 4.213 353 HB2 ASN 59 HB2 ASN 59 -11.872 8.343 3.583 354 HB3 ASN 59 HB3 ASN 59 -12.261 9.065 2.030 355 HD21 ASN 59 HD21 ASN 59 -11.632 9.590 5.367 356 HD22 ASN 59 HD22 ASN 59 -11.407 11.274 5.276 357 H GLN 60 H GLN 60 -14.178 7.705 1.047 358 HA GLN 60 HA GLN 60 -15.596 7.778 -0.674 359 HB2 GLN 60 HB2 GLN 60 -17.416 8.742 0.708 360 HB3 GLN 60 HB3 GLN 60 -16.767 10.346 0.414 361 HG2 GLN 60 HG2 GLN 60 -17.185 10.030 -2.007 362 HG3 GLN 60 HG3 GLN 60 -17.915 8.469 -1.642 363 HE21 GLN 60 HE21 GLN 60 -18.263 11.896 -1.492 364 HE22 GLN 60 HE22 GLN 60 -19.931 11.946 -1.045 365 H ALA 61 H ALA 61 -13.841 7.896 -1.899 366 HA ALA 61 HA ALA 61 -12.944 10.545 -2.773 367 HB1 ALA 61 HB1 ALA 61 -11.175 8.956 -2.122 368 HB2 ALA 61 HB2 ALA 61 -11.074 9.357 -3.840 369 HB3 ALA 61 HB3 ALA 61 -11.763 7.817 -3.336 370 H SER 62 H SER 62 -14.404 11.279 -4.223 371 HA SER 62 HA SER 62 -15.635 9.390 -6.011 372 HB2 SER 62 HB2 SER 62 -16.221 12.305 -5.518 373 HB3 SER 62 HB3 SER 62 -17.180 11.220 -6.533 374 HG SER 62 HG SER 62 -17.127 9.864 -4.495 375 H ALA 63 H ALA 63 -12.928 11.320 -6.144 376 HA ALA 63 HA ALA 63 -12.929 12.310 -8.756 377 HB1 ALA 63 HB1 ALA 63 -10.484 12.174 -8.625 378 HB2 ALA 63 HB2 ALA 63 -10.614 11.082 -7.249 379 HB3 ALA 63 HB3 ALA 63 -11.145 12.752 -7.091 380 H THR 64 H THR 64 -11.715 9.201 -7.538 381 HA THR 64 HA THR 64 -13.082 7.764 -9.582 382 HB THR 64 HB THR 64 -10.081 7.312 -9.350 383 HG1 THR 64 HG3 THR 64 -11.444 9.172 -10.790 384 HG21 THR 64 HG21 THR 64 -12.110 6.395 -11.380 385 HG22 THR 64 HG22 THR 64 -11.506 5.432 -10.041 386 HG23 THR 64 HG23 THR 64 -10.405 5.939 -11.329 387 H SER 65 H SER 65 -14.036 6.242 -8.372 388 HA SER 65 HA SER 65 -12.749 5.422 -5.885 389 HB2 SER 65 HB2 SER 65 -15.424 4.675 -7.044 390 HB3 SER 65 HB3 SER 65 -14.859 4.294 -5.413 391 HG SER 65 HG SER 65 -14.528 6.844 -5.598 392 H GLU 66 H GLU 66 -13.085 4.446 -9.083 393 HA GLU 66 HA GLU 66 -12.651 1.667 -8.849 394 HB2 GLU 66 HB2 GLU 66 -13.246 2.949 -10.951 395 HB3 GLU 66 HB3 GLU 66 -11.613 3.555 -10.956 396 HG2 GLU 66 HG2 GLU 66 -10.705 1.340 -11.270 397 HG3 GLU 66 HG3 GLU 66 -12.320 0.644 -11.153 398 H GLU 67 H GLU 67 -10.547 4.488 -8.907 399 HA GLU 67 HA GLU 67 -8.543 3.127 -7.407 400 HB2 GLU 67 HB2 GLU 67 -6.723 3.938 -8.918 401 HB3 GLU 67 HB3 GLU 67 -7.706 2.677 -9.636 402 HG2 GLU 67 HG2 GLU 67 -8.864 4.304 -11.015 403 HG3 GLU 67 HG3 GLU 67 -8.082 5.606 -10.156 404 H CYS 68 H CYS 68 -8.373 4.459 -5.768 405 HA CYS 68 HA CYS 68 -9.213 7.099 -5.565 406 HB2 CYS 68 HB2 CYS 68 -8.681 5.825 -3.572 407 HB3 CYS 68 HB3 CYS 68 -7.006 5.647 -4.056 408 H THR 69 H THR 69 -5.848 6.093 -5.678 409 HA THR 69 HA THR 69 -5.155 7.985 -7.753 410 HB THR 69 HB THR 69 -3.182 8.579 -6.163 411 HG1 THR 69 HG3 THR 69 -5.244 7.983 -4.381 412 HG21 THR 69 HG21 THR 69 -5.927 9.799 -5.753 413 HG22 THR 69 HG22 THR 69 -4.753 10.295 -6.971 414 HG23 THR 69 HG23 THR 69 -4.414 10.555 -5.254 415 H VAL 70 H VAL 70 -3.151 7.230 -8.749 416 HA VAL 70 HA VAL 70 -1.683 5.221 -7.303 417 HB VAL 70 HB VAL 70 -3.342 3.891 -8.569 418 HG11 VAL 70 HG11 VAL 70 -3.198 3.707 -10.990 419 HG12 VAL 70 HG12 VAL 70 -2.016 5.026 -10.995 420 HG13 VAL 70 HG13 VAL 70 -3.670 5.325 -10.450 421 HG21 VAL 70 HG21 VAL 70 -0.499 3.548 -9.481 422 HG22 VAL 70 HG22 VAL 70 -1.762 2.324 -9.591 423 HG23 VAL 70 HG23 VAL 70 -1.220 2.895 -8.009 424 H ALA 71 H ALA 71 0.451 5.223 -7.668 425 HA ALA 71 HA ALA 71 1.442 6.814 -9.919 426 HB1 ALA 71 HB1 ALA 71 3.197 7.688 -8.411 427 HB2 ALA 71 HB2 ALA 71 2.363 6.948 -7.041 428 HB3 ALA 71 HB3 ALA 71 1.587 8.232 -7.963 429 H TRP 72 H TRP 72 3.019 5.960 -10.993 430 HA TRP 72 HA TRP 72 4.005 3.377 -10.104 431 HB2 TRP 72 HB2 TRP 72 4.616 4.765 -12.666 432 HB3 TRP 72 HB3 TRP 72 4.749 3.074 -12.301 433 HD1 TRP 72 HD TRP 72 2.708 5.043 -14.412 434 HE1 TRP 72 HE1 TRP 72 0.353 4.063 -14.772 435 HE3 TRP 72 HE3 TRP 72 2.573 1.858 -10.498 436 HZ2 TRP 72 HZ2 TRP 72 -1.356 2.184 -13.531 437 HZ3 TRP 72 HZ3 TRP 72 0.499 0.478 -10.136 438 HH2 TRP 72 HH TRP 72 -1.388 0.668 -11.630 439 H GLY 73 H GLY 73 6.085 3.084 -9.653 440 HA2 GLY 73 HA2 GLY 73 7.773 5.455 -9.386 441 HA3 GLY 73 HA3 GLY 73 7.948 3.900 -8.555 442 H VAL 74 H VAL 74 9.752 5.572 -10.352 443 HA VAL 74 HA VAL 74 10.151 4.268 -12.830 444 HB VAL 74 HB VAL 74 12.232 5.657 -11.131 445 HG11 VAL 74 HG11 VAL 74 12.125 5.229 -14.123 446 HG12 VAL 74 HG12 VAL 74 13.195 4.399 -12.992 447 HG13 VAL 74 HG13 VAL 74 13.373 6.129 -13.257 448 HG21 VAL 74 HG21 VAL 74 10.336 7.122 -11.431 449 HG22 VAL 74 HG22 VAL 74 10.325 6.805 -13.162 450 HG23 VAL 74 HG23 VAL 74 11.669 7.695 -12.438 451 H CYS 75 H CYS 75 10.979 3.518 -9.615 452 HA CYS 75 HA CYS 75 13.094 1.658 -10.135 453 HB2 CYS 75 HB2 CYS 75 12.737 1.277 -7.640 454 HB3 CYS 75 HB3 CYS 75 13.215 2.893 -8.151 455 H ASN 76 H ASN 76 10.224 1.339 -11.191 456 HA ASN 76 HA ASN 76 8.754 -0.245 -11.701 457 HB2 ASN 76 HB2 ASN 76 10.919 -1.498 -12.168 458 HB3 ASN 76 HB3 ASN 76 10.716 -2.253 -10.591 459 HD21 ASN 76 HD21 ASN 76 9.166 -3.905 -10.365 460 HD22 ASN 76 HD22 ASN 76 8.292 -4.561 -11.675 461 H HIS 77 H HIS 77 8.406 1.056 -9.440 462 HA HIS 77 HA HIS 77 7.205 -0.977 -7.729 463 HB2 HIS 77 HB2 HIS 77 8.539 1.565 -7.032 464 HB3 HIS 77 HB3 HIS 77 7.211 1.021 -5.990 465 HD2 HIS 77 HD2 HIS 77 8.200 -2.228 -6.176 466 HE1 HIS 77 HE1 HIS 77 11.523 -0.741 -4.053 467 HE2 HIS 77 HE2 HIS 77 10.344 -2.774 -4.856 468 H ALA 78 H ALA 78 5.097 -0.401 -6.739 469 HA ALA 78 HA ALA 78 3.732 1.740 -8.136 470 HB1 ALA 78 HB1 ALA 78 2.780 -1.120 -8.065 471 HB2 ALA 78 HB2 ALA 78 3.348 -0.245 -9.494 472 HB3 ALA 78 HB3 ALA 78 1.872 0.258 -8.674 473 H PHE 79 H PHE 79 2.664 2.863 -6.756 474 HA PHE 79 HA PHE 79 1.334 1.610 -4.443 475 HB2 PHE 79 HB2 PHE 79 2.983 4.134 -4.312 476 HB3 PHE 79 HB3 PHE 79 2.012 3.487 -2.994 477 HD1 PHE 79 HD2 PHE 79 2.784 1.414 -1.828 478 HD2 PHE 79 HD3 PHE 79 5.085 3.269 -4.890 479 HE1 PHE 79 HE2 PHE 79 4.805 0.103 -1.145 480 HE2 PHE 79 HE1 PHE 79 7.046 1.990 -4.213 481 HZ PHE 79 HZ PHE 79 6.905 0.419 -2.356 482 H HIS 80 H HIS 80 -0.184 3.345 -3.389 483 HA HIS 80 HA HIS 80 -1.703 4.681 -5.436 484 HB2 HIS 80 HB2 HIS 80 -1.753 4.574 -2.453 485 HB3 HIS 80 HB3 HIS 80 -2.750 5.717 -3.316 486 HD2 HIS 80 HD2 HIS 80 -3.776 3.394 -5.613 487 HE1 HIS 80 HE1 HIS 80 -5.470 1.640 -2.165 488 HE2 HIS 80 HE2 HIS 80 -5.821 2.305 -4.467 489 H PHE 81 H PHE 81 -1.478 6.821 -6.022 490 HA PHE 81 HA PHE 81 0.833 8.148 -5.277 491 HB2 PHE 81 HB2 PHE 81 -0.205 8.796 -7.333 492 HB3 PHE 81 HB3 PHE 81 -1.665 9.320 -6.564 493 HD1 PHE 81 HD3 PHE 81 1.953 10.057 -6.800 494 HD2 PHE 81 HD2 PHE 81 -1.929 11.527 -5.854 495 HE1 PHE 81 HE1 PHE 81 2.854 12.343 -6.635 496 HE2 PHE 81 HE2 PHE 81 -1.031 13.809 -5.694 497 HZ PHE 81 HZ PHE 81 1.366 14.213 -6.083 498 H HIS 82 H HIS 82 -2.393 8.322 -3.983 499 HA HIS 82 HA HIS 82 -2.055 10.517 -2.261 500 HB2 HIS 82 HB2 HIS 82 -4.207 9.410 -2.857 501 HB3 HIS 82 HB3 HIS 82 -3.749 8.055 -1.845 502 HD2 HIS 82 HD2 HIS 82 -2.903 11.285 -0.159 503 HE1 HIS 82 HE1 HIS 82 -6.801 10.228 1.202 504 HE2 HIS 82 HE2 HIS 82 -5.136 12.057 0.921 505 H CYS 83 H CYS 83 -1.554 7.017 -1.687 506 HA CYS 83 HA CYS 83 -0.788 7.323 1.004 507 HB2 CYS 83 HB2 CYS 83 -0.209 4.972 -0.854 508 HB3 CYS 83 HB3 CYS 83 -0.162 5.044 0.888 509 H ILE 84 H ILE 84 1.019 6.872 -2.034 510 HA ILE 84 HA ILE 84 3.531 6.803 -0.741 511 HB ILE 84 HB ILE 84 3.153 5.921 -3.108 512 HG12 ILE 84 HG12 ILE 84 5.335 6.731 -3.997 513 HG13 ILE 84 HG11 ILE 84 5.401 7.872 -2.667 514 HG21 ILE 84 HG21 ILE 84 1.914 7.891 -3.829 515 HG22 ILE 84 HG22 ILE 84 3.176 7.377 -4.963 516 HG23 ILE 84 HG23 ILE 84 3.422 8.798 -3.931 517 HD11 ILE 84 HD11 ILE 84 5.356 4.871 -2.389 518 HD12 ILE 84 HD31 ILE 84 6.761 5.916 -2.198 519 HD13 ILE 84 HD21 ILE 84 5.420 6.030 -1.060 520 H SER 85 H SER 85 1.611 9.429 -1.988 521 HA SER 85 HA SER 85 3.506 11.494 -1.892 522 HB2 SER 85 HB2 SER 85 1.233 11.647 -2.889 523 HB3 SER 85 HB3 SER 85 0.561 11.657 -1.278 524 HG SER 85 HG SER 85 2.482 13.531 -2.137 525 H ARG 86 H ARG 86 1.262 10.298 0.538 526 HA ARG 86 HA ARG 86 2.044 12.000 2.669 527 HB2 ARG 86 HB2 ARG 86 0.999 9.173 2.721 528 HB3 ARG 86 HB3 ARG 86 1.214 10.156 4.163 529 HG2 ARG 86 HG2 ARG 86 -0.607 10.776 1.851 530 HG3 ARG 86 HG3 ARG 86 -1.082 10.109 3.410 531 HD2 ARG 86 HD2 ARG 86 0.179 12.803 2.921 532 HD3 ARG 86 HD3 ARG 86 -1.498 12.509 3.330 533 HE ARG 86 HE ARG 86 0.196 11.393 5.313 534 HH11 ARG 86 HH11 ARG 86 -1.120 14.469 4.156 535 HH12 ARG 86 HH12 ARG 86 -0.881 15.294 5.612 536 HH21 ARG 86 HH21 ARG 86 0.557 12.528 7.338 537 HH22 ARG 86 HH22 ARG 86 0.093 14.173 7.465 538 H TRP 87 H TRP 87 3.228 8.913 1.572 539 HA TRP 87 HA TRP 87 5.121 8.433 3.608 540 HB2 TRP 87 HB2 TRP 87 4.422 6.660 2.098 541 HB3 TRP 87 HB3 TRP 87 5.013 7.570 0.717 542 HD1 TRP 87 HD TRP 87 7.394 7.071 -0.034 543 HE1 TRP 87 HE1 TRP 87 9.372 5.794 0.957 544 HE3 TRP 87 HE3 TRP 87 5.450 6.100 4.553 545 HZ2 TRP 87 HZ2 TRP 87 10.037 4.521 3.420 546 HZ3 TRP 87 HZ3 TRP 87 6.816 4.839 6.200 547 HH2 TRP 87 HH TRP 87 9.062 4.067 5.629 548 H LEU 88 H LEU 88 5.394 9.954 0.467 549 HA LEU 88 HA LEU 88 8.140 10.553 0.715 550 HB2 LEU 88 HB2 LEU 88 6.018 11.560 -1.124 551 HB3 LEU 88 HB3 LEU 88 7.713 11.953 -1.300 552 HG LEU 88 HG LEU 88 6.664 9.144 -1.287 553 HD11 LEU 88 HD11 LEU 88 7.365 10.913 -3.615 554 HD12 LEU 88 HD12 LEU 88 5.746 10.371 -3.104 555 HD13 LEU 88 HD13 LEU 88 6.928 9.194 -3.653 556 HD21 LEU 88 HD21 LEU 88 8.880 8.635 -2.274 557 HD22 LEU 88 HD22 LEU 88 9.008 9.298 -0.659 558 HD23 LEU 88 HD23 LEU 88 9.351 10.314 -2.053 559 H LYS 89 H LYS 89 5.299 12.144 1.715 560 HA LYS 89 HA LYS 89 6.238 14.755 2.049 561 HB2 LYS 89 HB2 LYS 89 3.889 14.026 2.281 562 HB3 LYS 89 HB3 LYS 89 4.297 13.204 3.776 563 HG2 LYS 89 HG2 LYS 89 4.904 15.369 4.768 564 HG3 LYS 89 HG3 LYS 89 4.429 16.181 3.279 565 HD2 LYS 89 HD2 LYS 89 2.582 14.447 4.912 566 HD3 LYS 89 HD3 LYS 89 2.688 16.197 5.079 567 HE2 LYS 89 HE2 LYS 89 1.934 14.723 2.546 568 HE3 LYS 89 HE1 LYS 89 0.814 15.497 3.656 569 HZ1 LYS 89 HZ1 LYS 89 2.912 16.843 2.043 570 HZ2 LYS 89 HZ2 LYS 89 1.963 17.625 3.198 571 HZ3 LYS 89 HZ3 LYS 89 1.244 16.954 1.818 572 H THR 90 H THR 90 6.513 11.834 4.033 573 HA THR 90 HA THR 90 8.246 13.351 5.831 574 HB THR 90 HB THR 90 6.285 12.383 6.883 575 HG1 THR 90 HG3 THR 90 8.501 12.460 7.895 576 HG21 THR 90 HG21 THR 90 7.445 9.681 6.197 577 HG22 THR 90 HG22 THR 90 6.013 10.399 5.467 578 HG23 THR 90 HG23 THR 90 6.009 9.968 7.178 579 H ARG 91 H ARG 91 8.626 11.249 3.241 580 HA ARG 91 HA ARG 91 11.222 10.342 4.124 581 HB2 ARG 91 HB2 ARG 91 9.147 8.434 2.978 582 HB3 ARG 91 HB3 ARG 91 10.830 8.110 3.219 583 HG2 ARG 91 HG2 ARG 91 8.969 8.789 5.472 584 HG3 ARG 91 HG3 ARG 91 9.374 7.153 4.973 585 HD2 ARG 91 HD2 ARG 91 11.740 7.592 5.357 586 HD3 ARG 91 HD3 ARG 91 11.363 9.233 5.871 587 HE ARG 91 HE ARG 91 10.144 7.012 7.300 588 HH11 ARG 91 HH11 ARG 91 12.554 9.586 7.237 589 HH12 ARG 91 HH12 ARG 91 12.889 9.549 8.907 590 HH21 ARG 91 HH21 ARG 91 10.618 6.885 9.596 591 HH22 ARG 91 HH22 ARG 91 11.774 7.936 10.286 592 H GLN 92 H GLN 92 12.521 9.626 2.346 593 HA GLN 92 HA GLN 92 11.564 10.657 -0.235 594 HB2 GLN 92 HB2 GLN 92 14.164 11.066 1.133 595 HB3 GLN 92 HB3 GLN 92 13.986 11.278 -0.604 596 HG2 GLN 92 HG2 GLN 92 12.222 12.591 1.400 597 HG3 GLN 92 HG3 GLN 92 13.640 13.446 0.897 598 HE21 GLN 92 HE21 GLN 92 10.458 12.443 0.149 599 HE22 GLN 92 HE22 GLN 92 10.275 13.282 -1.345 600 H VAL 93 H VAL 93 12.199 7.978 1.206 601 HA VAL 93 HA VAL 93 13.448 6.691 -1.130 602 HB VAL 93 HB VAL 93 14.379 4.998 0.527 603 HG11 VAL 93 HG11 VAL 93 15.346 7.854 0.803 604 HG12 VAL 93 HG12 VAL 93 15.779 6.738 -0.494 605 HG13 VAL 93 HG13 VAL 93 16.284 6.398 1.159 606 HG21 VAL 93 HG21 VAL 93 12.902 5.589 2.397 607 HG22 VAL 93 HG22 VAL 93 13.656 7.183 2.432 608 HG23 VAL 93 HG23 VAL 93 14.611 5.757 2.859 609 H CYS 94 H CYS 94 12.803 4.422 -1.412 610 HA CYS 94 HA CYS 94 10.054 4.033 -1.258 611 HB2 CYS 94 HB2 CYS 94 12.346 2.144 -1.628 612 HB3 CYS 94 HB3 CYS 94 10.692 1.637 -1.841 613 HA PRO 95 HA PRO 95 9.628 2.426 2.897 614 HB2 PRO 95 HB2 PRO 95 7.283 1.071 2.538 615 HB3 PRO 95 HB3 PRO 95 7.358 2.826 2.747 616 HG2 PRO 95 HG2 PRO 95 7.084 1.215 0.243 617 HG3 PRO 95 HG3 PRO 95 6.266 2.722 0.692 618 HD2 PRO 95 HD2 PRO 95 8.395 2.635 -0.994 619 HD3 PRO 95 HD3 PRO 95 8.112 4.033 0.034 620 H LEU 96 H LEU 96 9.409 0.550 0.034 621 HA LEU 96 HA LEU 96 9.586 -2.058 1.296 622 HB2 LEU 96 HB2 LEU 96 10.008 -1.390 -1.606 623 HB3 LEU 96 HB3 LEU 96 9.568 -2.938 -0.929 624 HG LEU 96 HG LEU 96 7.918 -0.498 -1.139 625 HD11 LEU 96 HD11 LEU 96 7.693 -3.200 -2.454 626 HD12 LEU 96 HD12 LEU 96 8.110 -1.669 -3.219 627 HD13 LEU 96 HD13 LEU 96 6.480 -1.925 -2.592 628 HD21 LEU 96 HD21 LEU 96 7.336 -1.557 0.955 629 HD22 LEU 96 HD22 LEU 96 7.192 -3.124 0.159 630 HD23 LEU 96 HD23 LEU 96 6.038 -1.848 -0.204 631 H ASP 97 H ASP 97 11.576 0.123 -0.576 632 HA ASP 97 HA ASP 97 13.791 -1.801 -0.696 633 HB2 ASP 97 HB2 ASP 97 12.619 -0.263 -2.620 634 HB3 ASP 97 HB3 ASP 97 13.910 0.768 -2.087 635 H ASN 98 H ASN 98 12.810 1.263 0.550 636 HA ASN 98 HA ASN 98 13.744 2.954 1.611 637 HB2 ASN 98 HB2 ASN 98 15.568 0.775 2.530 638 HB3 ASN 98 HB3 ASN 98 15.631 2.401 3.226 639 HD21 ASN 98 HD21 ASN 98 13.681 3.184 4.352 640 HD22 ASN 98 HD22 ASN 98 12.581 2.042 5.012 641 H ARG 99 H ARG 99 14.509 2.507 -1.046 642 HA ARG 99 HA ARG 99 16.924 4.174 -1.058 643 HB2 ARG 99 HB2 ARG 99 16.055 2.130 -3.111 644 HB3 ARG 99 HB3 ARG 99 17.336 3.310 -3.389 645 HG2 ARG 99 HG2 ARG 99 18.536 2.364 -1.441 646 HG3 ARG 99 HG3 ARG 99 17.215 1.184 -1.342 647 HD2 ARG 99 HD2 ARG 99 18.887 1.501 -3.850 648 HD3 ARG 99 HD3 ARG 99 19.345 0.393 -2.569 649 HE ARG 99 HE ARG 99 16.764 -0.260 -3.118 650 HH11 ARG 99 HH11 ARG 99 19.659 -0.032 -5.187 651 HH12 ARG 99 HH12 ARG 99 19.170 -1.340 -6.171 652 HH21 ARG 99 HH21 ARG 99 16.164 -1.938 -4.420 653 HH22 ARG 99 HH22 ARG 99 17.127 -2.509 -5.724 654 H GLU 100 H GLU 100 16.922 5.750 -2.809 655 HA GLU 100 HA GLU 100 14.846 7.483 -2.552 656 HB2 GLU 100 HB2 GLU 100 16.635 7.169 -4.929 657 HB3 GLU 100 HB3 GLU 100 15.542 8.521 -4.698 658 HG2 GLU 100 HG2 GLU 100 16.652 9.118 -2.689 659 HG3 GLU 100 HG3 GLU 100 17.767 7.754 -2.841 660 H TRP 101 H TRP 101 12.841 7.568 -3.069 661 HA TRP 101 HA TRP 101 11.746 5.872 -5.126 662 HB2 TRP 101 HB2 TRP 101 10.306 6.032 -3.239 663 HB3 TRP 101 HB3 TRP 101 10.568 7.748 -3.084 664 HD1 TRP 101 HD TRP 101 9.158 9.356 -4.724 665 HE1 TRP 101 HE1 TRP 101 7.048 8.969 -6.134 666 HE3 TRP 101 HE3 TRP 101 9.069 4.320 -4.580 667 HZ2 TRP 101 HZ2 TRP 101 5.550 6.821 -7.073 668 HZ3 TRP 101 HZ3 TRP 101 7.235 3.126 -5.804 669 HH2 TRP 101 HH TRP 101 5.520 4.390 -7.011 670 H GLU 102 H GLU 102 11.192 6.555 -7.129 671 HA GLU 102 HA GLU 102 11.075 9.428 -7.628 672 HB2 GLU 102 HB2 GLU 102 12.483 7.379 -9.354 673 HB3 GLU 102 HB3 GLU 102 12.179 9.051 -9.830 674 HG2 GLU 102 HG2 GLU 102 13.536 9.819 -7.938 675 HG3 GLU 102 HG3 GLU 102 13.868 8.146 -7.510 676 H PHE 103 H PHE 103 9.548 10.034 -9.156 677 HA PHE 103 HA PHE 103 7.377 8.105 -9.460 678 HB2 PHE 103 HB2 PHE 103 7.576 11.055 -10.059 679 HB3 PHE 103 HB3 PHE 103 6.176 10.105 -10.466 680 HD1 PHE 103 HD2 PHE 103 4.962 8.975 -8.582 681 HD2 PHE 103 HD3 PHE 103 7.830 12.021 -8.020 682 HE1 PHE 103 HE2 PHE 103 3.987 9.453 -6.357 683 HE2 PHE 103 HE1 PHE 103 6.881 12.532 -5.798 684 HZ PHE 103 HZ PHE 103 4.951 11.242 -4.969 685 H GLN 104 H GLN 104 7.239 6.907 -11.240 686 HA GLN 104 HA GLN 104 8.478 7.744 -13.709 687 HB2 GLN 104 HB2 GLN 104 8.142 5.298 -13.002 688 HB3 GLN 104 HB3 GLN 104 6.444 5.561 -13.248 689 HG2 GLN 104 HG2 GLN 104 7.395 4.462 -15.181 690 HG3 GLN 104 HG3 GLN 104 6.804 6.071 -15.607 691 HE21 GLN 104 HE21 GLN 104 8.238 7.647 -16.244 692 HE22 GLN 104 HE22 GLN 104 9.899 7.339 -16.529 693 H LYS 105 H LYS 105 5.232 7.316 -12.421 694 HA LYS 105 HA LYS 105 4.315 9.711 -13.792 695 HB2 LYS 105 HB2 LYS 105 2.925 7.014 -13.777 696 HB3 LYS 105 HB3 LYS 105 2.025 8.504 -13.948 697 HG2 LYS 105 HG2 LYS 105 2.252 7.710 -16.127 698 HG3 LYS 105 HG3 LYS 105 3.502 8.947 -15.997 699 HD2 LYS 105 HD2 LYS 105 5.170 7.227 -15.602 700 HD3 LYS 105 HD3 LYS 105 3.943 5.966 -15.704 701 HE2 LYS 105 HE2 LYS 105 4.686 7.880 -17.918 702 HE3 LYS 105 HE1 LYS 105 5.232 6.206 -17.798 703 HZ1 LYS 105 HZ1 LYS 105 2.842 5.544 -17.878 704 HZ2 LYS 105 HZ2 LYS 105 3.372 6.264 -19.286 705 HZ3 LYS 105 HZ3 LYS 105 2.414 7.132 -18.223 706 H TYR 106 H TYR 106 2.732 10.833 -12.464 707 HA TYR 106 HA TYR 106 2.582 9.632 -9.800 708 HB2 TYR 106 HB2 TYR 106 2.704 11.835 -8.740 709 HB3 TYR 106 HB3 TYR 106 4.130 11.503 -9.703 710 HD1 TYR 106 HD3 TYR 106 4.424 12.704 -11.887 711 HD2 TYR 106 HD2 TYR 106 1.305 13.691 -9.171 712 HE1 TYR 106 HE1 TYR 106 4.124 14.865 -13.020 713 HE2 TYR 106 HE2 TYR 106 0.994 15.846 -10.299 714 HH TYR 106 HH TYR 106 2.368 16.524 -13.312 715 H GLY 107 H GLY 107 0.829 11.915 -11.910 716 HA2 GLY 107 HA2 GLY 107 -1.606 11.077 -10.478 717 HA3 GLY 107 HA3 GLY 107 -1.354 12.705 -11.094 718 H HIS 108 H HIS 108 -1.829 13.167 -13.123 719 HA HIS 108 HA HIS 108 -3.102 11.250 -14.824 720 HB2 HIS 108 HB2 HIS 108 -1.985 13.990 -15.502 721 HB3 HIS 108 HB3 HIS 108 -3.152 13.079 -16.444 722 HD2 HIS 108 HD2 HIS 108 -5.785 13.321 -15.600 723 HE1 HIS 108 HE1 HIS 108 -4.907 15.811 -12.271 724 HE2 HIS 108 HE2 HIS 108 -6.718 15.022 -13.906 Start of MODEL 20 1 H1 GLY 9 H GLY 9 -38.940 13.746 -6.821 2 HA2 GLY 9 HA2 GLY 9 -38.695 12.160 -5.069 3 HA3 GLY 9 HA3 GLY 9 -37.221 11.570 -5.843 4 H GLY 10 H GLY 10 -37.079 14.793 -6.100 5 HA2 GLY 10 HA2 GLY 10 -35.994 16.461 -5.005 6 HA3 GLY 10 HA3 GLY 10 -36.357 15.624 -3.500 7 H GLY 11 H GLY 11 -34.502 15.473 -2.406 8 HA2 GLY 11 HA2 GLY 11 -32.466 13.801 -2.924 9 HA3 GLY 11 HA3 GLY 11 -31.984 15.295 -3.734 10 H GLY 12 H GLY 12 -32.206 13.651 -0.776 11 HA2 GLY 12 HA2 GLY 12 -31.571 16.159 0.623 12 HA3 GLY 12 HA3 GLY 12 -32.543 14.869 1.330 13 H THR 13 H THR 13 -29.685 16.228 1.499 14 HA THR 13 HA THR 13 -28.331 13.707 2.183 15 HB THR 13 HB THR 13 -27.113 16.438 1.656 16 HG1 THR 13 HG3 THR 13 -27.583 14.173 0.050 17 HG21 THR 13 HG21 THR 13 -25.849 13.711 1.970 18 HG22 THR 13 HG22 THR 13 -25.792 15.017 3.156 19 HG23 THR 13 HG23 THR 13 -24.984 15.206 1.593 20 H ASN 14 H ASN 14 -28.406 13.365 4.328 21 HA ASN 14 HA ASN 14 -29.233 15.365 6.152 22 HB2 ASN 14 HB2 ASN 14 -28.086 12.614 6.519 23 HB3 ASN 14 HB3 ASN 14 -28.355 13.665 7.904 24 HD21 ASN 14 HD21 ASN 14 -29.818 12.179 8.691 25 HD22 ASN 14 HD22 ASN 14 -31.423 12.028 8.089 26 H SER 15 H SER 15 -26.072 13.912 5.515 27 HA SER 15 HA SER 15 -23.956 14.492 6.107 28 HB2 SER 15 HB2 SER 15 -23.373 16.879 5.570 29 HB3 SER 15 HB3 SER 15 -24.253 16.056 4.296 30 HG SER 15 HG SER 15 -26.008 17.197 5.944 31 H GLY 16 H GLY 16 -25.550 14.181 8.371 32 HA2 GLY 16 HA2 GLY 16 -25.270 16.500 10.069 33 HA3 GLY 16 HA3 GLY 16 -26.038 14.982 10.498 34 H ALA 17 H ALA 17 -24.027 16.730 11.805 35 HA ALA 17 HA ALA 17 -21.681 15.069 12.066 36 HB1 ALA 17 HB1 ALA 17 -21.078 16.588 13.892 37 HB2 ALA 17 HB2 ALA 17 -22.673 17.336 13.809 38 HB3 ALA 17 HB3 ALA 17 -21.551 17.496 12.459 39 H GLY 18 H GLY 18 -21.146 13.845 13.978 40 HA2 GLY 18 HA2 GLY 18 -21.642 12.787 16.005 41 HA3 GLY 18 HA3 GLY 18 -23.286 13.397 15.889 42 H LYS 19 H LYS 19 -22.215 12.051 13.008 43 HA LYS 19 HA LYS 19 -23.651 9.576 13.594 44 HB2 LYS 19 HB2 LYS 19 -22.867 10.780 10.925 45 HB3 LYS 19 HB3 LYS 19 -23.819 9.328 11.145 46 HG2 LYS 19 HG2 LYS 19 -24.611 12.145 11.881 47 HG3 LYS 19 HG3 LYS 19 -25.269 11.173 10.563 48 HD2 LYS 19 HD2 LYS 19 -25.521 10.562 13.519 49 HD3 LYS 19 HD3 LYS 19 -26.766 11.270 12.506 50 HE2 LYS 19 HE2 LYS 19 -25.550 8.557 11.991 51 HE3 LYS 19 HE1 LYS 19 -27.017 8.821 12.918 52 HZ1 LYS 19 HZ1 LYS 19 -26.651 9.509 10.031 53 HZ2 LYS 19 HZ2 LYS 19 -28.004 9.848 11.011 54 HZ3 LYS 19 HZ3 LYS 19 -27.595 8.263 10.716 55 H LYS 20 H LYS 20 -22.647 7.587 13.137 56 HA LYS 20 HA LYS 20 -19.771 7.766 13.442 57 HB2 LYS 20 HB2 LYS 20 -21.622 5.389 13.448 58 HB3 LYS 20 HB3 LYS 20 -19.892 5.271 13.712 59 HG2 LYS 20 HG2 LYS 20 -20.907 5.133 15.836 60 HG3 LYS 20 HG3 LYS 20 -20.272 6.780 15.739 61 HD2 LYS 20 HD2 LYS 20 -22.463 7.632 15.231 62 HD3 LYS 20 HD3 LYS 20 -23.127 5.998 15.142 63 HE2 LYS 20 HE2 LYS 20 -21.932 7.250 17.614 64 HE3 LYS 20 HE1 LYS 20 -23.654 7.168 17.261 65 HZ1 LYS 20 HZ1 LYS 20 -23.336 4.695 17.116 66 HZ2 LYS 20 HZ2 LYS 20 -23.224 5.368 18.643 67 HZ3 LYS 20 HZ3 LYS 20 -21.807 4.908 17.828 68 H ARG 21 H ARG 21 -18.428 7.603 11.854 69 HA ARG 21 HA ARG 21 -19.185 7.023 9.177 70 HB2 ARG 21 HB2 ARG 21 -16.470 7.235 10.491 71 HB3 ARG 21 HB3 ARG 21 -16.659 6.892 8.780 72 HG2 ARG 21 HG2 ARG 21 -16.214 9.209 8.964 73 HG3 ARG 21 HG3 ARG 21 -17.935 9.072 8.612 74 HD2 ARG 21 HD2 ARG 21 -18.416 9.374 11.003 75 HD3 ARG 21 HD3 ARG 21 -16.690 9.529 11.320 76 HE ARG 21 HE ARG 21 -17.276 11.395 9.398 77 HH11 ARG 21 HH11 ARG 21 -18.373 10.741 12.690 78 HH12 ARG 21 HH12 ARG 21 -18.667 12.369 13.090 79 HH21 ARG 21 HH21 ARG 21 -17.642 13.646 9.931 80 HH22 ARG 21 HH22 ARG 21 -18.230 14.084 11.462 81 H PHE 22 H PHE 22 -17.695 5.196 11.760 82 HA PHE 22 HA PHE 22 -18.147 2.741 10.202 83 HB2 PHE 22 HB2 PHE 22 -16.125 3.206 12.405 84 HB3 PHE 22 HB3 PHE 22 -16.413 1.677 11.605 85 HD1 PHE 22 HD3 PHE 22 -15.663 1.310 9.317 86 HD2 PHE 22 HD2 PHE 22 -14.872 4.975 11.332 87 HE1 PHE 22 HE1 PHE 22 -13.965 1.865 7.632 88 HE2 PHE 22 HE2 PHE 22 -13.169 5.537 9.642 89 HZ PHE 22 HZ PHE 22 -12.717 3.981 7.793 90 H GLU 23 H GLU 23 -20.143 2.105 10.881 91 HA GLU 23 HA GLU 23 -20.551 1.965 13.762 92 HB2 GLU 23 HB2 GLU 23 -22.499 1.426 11.510 93 HB3 GLU 23 HB3 GLU 23 -22.895 1.239 13.219 94 HG2 GLU 23 HG2 GLU 23 -22.367 3.578 13.585 95 HG3 GLU 23 HG3 GLU 23 -22.074 3.794 11.861 96 H VAL 24 H VAL 24 -19.404 0.178 11.307 97 HA VAL 24 HA VAL 24 -19.771 -2.385 12.656 98 HB VAL 24 HB VAL 24 -19.823 -2.263 10.153 99 HG11 VAL 24 HG11 VAL 24 -16.924 -1.493 10.368 100 HG12 VAL 24 HG12 VAL 24 -18.241 -0.469 9.806 101 HG13 VAL 24 HG13 VAL 24 -17.773 -1.891 8.875 102 HG21 VAL 24 HG21 VAL 24 -17.550 -3.874 11.308 103 HG22 VAL 24 HG22 VAL 24 -18.251 -4.132 9.710 104 HG23 VAL 24 HG23 VAL 24 -19.234 -4.379 11.156 105 H LYS 25 H LYS 25 -17.861 -3.547 13.485 106 HA LYS 25 HA LYS 25 -16.128 -1.724 14.809 107 HB2 LYS 25 HB2 LYS 25 -15.172 -3.646 15.957 108 HB3 LYS 25 HB3 LYS 25 -16.918 -3.710 15.973 109 HG2 LYS 25 HG2 LYS 25 -16.335 -5.908 15.563 110 HG3 LYS 25 HG3 LYS 25 -16.615 -5.293 13.939 111 HD2 LYS 25 HD2 LYS 25 -14.251 -5.049 13.570 112 HD3 LYS 25 HD3 LYS 25 -13.908 -5.445 15.257 113 HE2 LYS 25 HE2 LYS 25 -15.162 -7.296 13.233 114 HE3 LYS 25 HE1 LYS 25 -13.481 -7.346 13.760 115 HZ1 LYS 25 HZ1 LYS 25 -14.523 -8.949 15.054 116 HZ2 LYS 25 HZ2 LYS 25 -15.913 -8.048 15.289 117 HZ3 LYS 25 HZ3 LYS 25 -14.494 -7.621 16.103 118 H LYS 26 H LYS 26 -15.936 -3.065 11.802 119 HA LYS 26 HA LYS 26 -13.100 -3.246 11.589 120 HB2 LYS 26 HB2 LYS 26 -15.247 -2.993 9.489 121 HB3 LYS 26 HB3 LYS 26 -13.540 -3.102 9.109 122 HG2 LYS 26 HG2 LYS 26 -13.419 -5.281 10.165 123 HG3 LYS 26 HG3 LYS 26 -15.135 -5.178 10.583 124 HD2 LYS 26 HD2 LYS 26 -15.735 -5.098 8.234 125 HD3 LYS 26 HD3 LYS 26 -14.025 -5.093 7.785 126 HE2 LYS 26 HE2 LYS 26 -15.327 -7.309 9.344 127 HE3 LYS 26 HE1 LYS 26 -15.183 -7.310 7.584 128 HZ1 LYS 26 HZ1 LYS 26 -12.910 -7.216 9.513 129 HZ2 LYS 26 HZ2 LYS 26 -12.781 -7.133 7.837 130 HZ3 LYS 26 HZ3 LYS 26 -13.326 -8.541 8.546 131 H SER 27 H SER 27 -11.665 -1.825 10.893 132 HA SER 27 HA SER 27 -12.394 0.820 10.000 133 HB2 SER 27 HB2 SER 27 -10.941 0.333 12.620 134 HB3 SER 27 HB3 SER 27 -11.054 1.895 11.816 135 HG SER 27 HG SER 27 -13.467 0.736 12.059 136 H ASN 28 H ASN 28 -9.712 1.848 10.567 137 HA ASN 28 HA ASN 28 -8.322 0.445 8.493 138 HB2 ASN 28 HB2 ASN 28 -7.453 2.767 10.235 139 HB3 ASN 28 HB3 ASN 28 -6.595 2.177 8.817 140 HD21 ASN 28 HD21 ASN 28 -9.197 4.045 9.985 141 HD22 ASN 28 HD22 ASN 28 -9.768 4.647 8.472 142 H ALA 29 H ALA 29 -7.276 -1.349 8.913 143 HA ALA 29 HA ALA 29 -6.973 -2.252 11.572 144 HB1 ALA 29 HB1 ALA 29 -6.073 -4.277 10.587 145 HB2 ALA 29 HB2 ALA 29 -5.944 -3.475 9.021 146 HB3 ALA 29 HB3 ALA 29 -7.534 -3.760 9.743 147 H SER 30 H SER 30 -5.193 -2.582 12.788 148 HA SER 30 HA SER 30 -2.843 -1.095 12.114 149 HB2 SER 30 HB2 SER 30 -2.106 -2.095 14.391 150 HB3 SER 30 HB3 SER 30 -3.431 -0.930 14.392 151 HG SER 30 HG SER 30 -4.670 -2.365 15.144 152 H ALA 31 H ALA 31 -1.512 -1.962 10.721 153 HA ALA 31 HA ALA 31 -1.299 -4.851 10.473 154 HB1 ALA 31 HB1 ALA 31 -0.022 -4.353 8.434 155 HB2 ALA 31 HB2 ALA 31 -0.208 -2.626 8.764 156 HB3 ALA 31 HB3 ALA 31 -1.626 -3.622 8.425 157 H GLN 32 H GLN 32 0.881 -5.736 10.077 158 HA GLN 32 HA GLN 32 2.751 -4.805 12.102 159 HB2 GLN 32 HB2 GLN 32 2.644 -7.273 10.350 160 HB3 GLN 32 HB3 GLN 32 3.836 -6.982 11.612 161 HG2 GLN 32 HG2 GLN 32 2.187 -7.074 13.312 162 HG3 GLN 32 HG3 GLN 32 0.883 -7.071 12.135 163 HE21 GLN 32 HE21 GLN 32 0.502 -8.892 10.945 164 HE22 GLN 32 HE22 GLN 32 1.018 -10.469 11.424 165 H SER 33 H SER 33 5.002 -4.409 11.497 166 HA SER 33 HA SER 33 5.195 -3.088 8.984 167 HB2 SER 33 HB2 SER 33 7.351 -3.623 11.035 168 HB3 SER 33 HB3 SER 33 7.449 -2.478 9.698 169 HG SER 33 HG SER 33 5.216 -1.973 10.993 170 H ALA 34 H ALA 34 4.791 -4.826 7.612 171 HA ALA 34 HA ALA 34 7.238 -6.303 6.953 172 HB1 ALA 34 HB1 ALA 34 5.804 -8.105 6.061 173 HB2 ALA 34 HB2 ALA 34 4.381 -7.239 6.630 174 HB3 ALA 34 HB3 ALA 34 5.547 -7.871 7.791 175 H TRP 35 H TRP 35 7.782 -6.263 4.805 176 HA TRP 35 HA TRP 35 6.223 -4.347 3.208 177 HB2 TRP 35 HB2 TRP 35 9.168 -5.030 3.070 178 HB3 TRP 35 HB3 TRP 35 8.347 -3.827 2.083 179 HD1 TRP 35 HD TRP 35 10.273 -4.150 5.197 180 HE1 TRP 35 HE1 TRP 35 10.108 -2.024 6.622 181 HE3 TRP 35 HE3 TRP 35 6.370 -1.882 2.793 182 HZ2 TRP 35 HZ2 TRP 35 8.518 0.315 6.723 183 HZ3 TRP 35 HZ3 TRP 35 5.584 0.297 3.626 184 HH2 TRP 35 HH TRP 35 6.642 1.370 5.544 185 H ASP 36 H ASP 36 5.549 -4.967 1.204 186 HA ASP 36 HA ASP 36 5.930 -7.766 0.539 187 HB2 ASP 36 HB2 ASP 36 4.035 -5.705 -0.587 188 HB3 ASP 36 HB3 ASP 36 4.168 -7.350 -1.195 189 H ILE 37 H ILE 37 6.603 -8.504 -1.462 190 HA ILE 37 HA ILE 37 8.389 -6.637 -2.852 191 HB ILE 37 HB ILE 37 9.361 -8.627 -3.945 192 HG12 ILE 37 HG12 ILE 37 7.469 -10.233 -2.204 193 HG13 ILE 37 HG11 ILE 37 7.266 -9.973 -3.928 194 HG21 ILE 37 HG21 ILE 37 9.196 -8.903 -0.943 195 HG22 ILE 37 HG22 ILE 37 10.293 -7.846 -1.816 196 HG23 ILE 37 HG23 ILE 37 10.441 -9.595 -1.979 197 HD11 ILE 37 HD11 ILE 37 9.316 -11.156 -4.381 198 HD12 ILE 37 HD31 ILE 37 9.605 -11.374 -2.655 199 HD13 ILE 37 HD21 ILE 37 8.219 -12.155 -3.431 200 H VAL 38 H VAL 38 5.338 -7.638 -3.028 201 HA VAL 38 HA VAL 38 5.207 -7.674 -5.964 202 HB VAL 38 HB VAL 38 3.126 -8.626 -3.976 203 HG11 VAL 38 HG11 VAL 38 3.288 -8.904 -6.960 204 HG12 VAL 38 HG12 VAL 38 2.134 -7.932 -6.042 205 HG13 VAL 38 HG13 VAL 38 2.101 -9.690 -5.926 206 HG21 VAL 38 HG21 VAL 38 3.762 -10.899 -4.625 207 HG22 VAL 38 HG22 VAL 38 5.127 -10.048 -3.905 208 HG23 VAL 38 HG23 VAL 38 5.033 -10.254 -5.659 209 H VAL 39 H VAL 39 4.000 -6.039 -6.964 210 HA VAL 39 HA VAL 39 3.139 -3.978 -5.098 211 HB VAL 39 HB VAL 39 3.616 -2.346 -6.900 212 HG11 VAL 39 HG11 VAL 39 5.946 -4.053 -6.040 213 HG12 VAL 39 HG12 VAL 39 5.175 -2.768 -5.100 214 HG13 VAL 39 HG13 VAL 39 6.014 -2.376 -6.592 215 HG21 VAL 39 HG21 VAL 39 4.928 -4.700 -8.280 216 HG22 VAL 39 HG22 VAL 39 4.989 -3.018 -8.811 217 HG23 VAL 39 HG23 VAL 39 3.459 -3.891 -8.811 218 H ASP 40 H ASP 40 1.368 -6.131 -6.305 219 HA ASP 40 HA ASP 40 -0.479 -4.307 -7.639 220 HB2 ASP 40 HB2 ASP 40 -1.978 -6.060 -8.026 221 HB3 ASP 40 HB3 ASP 40 -0.378 -6.676 -8.452 222 H ASN 41 H ASN 41 0.392 -4.935 -4.592 223 HA ASN 41 HA ASN 41 -2.084 -3.674 -3.757 224 HB2 ASN 41 HB2 ASN 41 -1.804 -4.628 -1.487 225 HB3 ASN 41 HB3 ASN 41 -2.113 -5.855 -2.707 226 HD21 ASN 41 HD21 ASN 41 0.171 -4.532 -0.450 227 HD22 ASN 41 HD22 ASN 41 1.316 -5.807 -0.498 228 H CYS 42 H CYS 42 -1.911 -1.873 -2.676 229 HA CYS 42 HA CYS 42 0.580 -0.442 -2.654 230 HB2 CYS 42 HB2 CYS 42 -1.763 0.533 -2.917 231 HB3 CYS 42 HB3 CYS 42 -2.015 0.193 -1.235 232 H ALA 43 H ALA 43 2.076 -0.842 -1.089 233 HA ALA 43 HA ALA 43 1.293 -2.456 1.174 234 HB1 ALA 43 HB1 ALA 43 4.002 -1.278 0.537 235 HB2 ALA 43 HB2 ALA 43 3.417 -2.857 0.006 236 HB3 ALA 43 HB3 ALA 43 3.651 -2.539 1.726 237 H ILE 44 H ILE 44 1.422 0.794 0.500 238 HA ILE 44 HA ILE 44 2.369 1.766 2.997 239 HB ILE 44 HB ILE 44 0.799 3.207 0.830 240 HG12 ILE 44 HG12 ILE 44 3.781 2.857 1.298 241 HG13 ILE 44 HG11 ILE 44 2.826 2.161 0.049 242 HG21 ILE 44 HG21 ILE 44 2.560 4.269 3.065 243 HG22 ILE 44 HG22 ILE 44 0.793 4.348 3.039 244 HG23 ILE 44 HG23 ILE 44 1.733 5.228 1.835 245 HD11 ILE 44 HD11 ILE 44 4.067 4.063 -0.792 246 HD12 ILE 44 HD31 ILE 44 2.324 4.305 -0.920 247 HD13 ILE 44 HD21 ILE 44 3.235 5.107 0.357 248 H CYS 45 H CYS 45 -0.803 1.339 1.528 249 HA CYS 45 HA CYS 45 -2.108 1.919 4.101 250 HB2 CYS 45 HB2 CYS 45 -4.167 2.082 2.722 251 HB3 CYS 45 HB3 CYS 45 -2.923 3.213 2.201 252 H ARG 46 H ARG 46 -1.459 -0.474 1.700 253 HA ARG 46 HA ARG 46 -1.586 -2.593 1.572 254 HB2 ARG 46 HB2 ARG 46 -2.454 -2.416 4.423 255 HB3 ARG 46 HB3 ARG 46 -2.343 -3.993 3.606 256 HG2 ARG 46 HG2 ARG 46 -0.005 -3.543 3.099 257 HG3 ARG 46 HG3 ARG 46 -0.132 -1.968 3.871 258 HD2 ARG 46 HD2 ARG 46 -0.576 -3.073 6.010 259 HD3 ARG 46 HD3 ARG 46 -0.455 -4.646 5.214 260 HE ARG 46 HE ARG 46 1.819 -4.322 4.872 261 HH11 ARG 46 HH11 ARG 46 0.383 -1.641 6.727 262 HH12 ARG 46 HH12 ARG 46 1.865 -1.053 7.286 263 HH21 ARG 46 HH21 ARG 46 3.874 -3.498 5.653 264 HH22 ARG 46 HH22 ARG 46 3.888 -2.116 6.673 265 H ASN 47 H ASN 47 -3.278 -1.142 0.367 266 HA ASN 47 HA ASN 47 -5.695 -2.804 0.311 267 HB2 ASN 47 HB2 ASN 47 -5.260 0.117 -0.089 268 HB3 ASN 47 HB3 ASN 47 -6.520 -0.669 -1.007 269 HD21 ASN 47 HD21 ASN 47 -5.592 -1.509 2.308 270 HD22 ASN 47 HD22 ASN 47 -7.050 -0.967 3.055 271 H HIS 48 H HIS 48 -6.623 -2.476 -2.118 272 HA HIS 48 HA HIS 48 -4.632 -3.829 -3.681 273 HB2 HIS 48 HB2 HIS 48 -7.032 -4.416 -3.722 274 HB3 HIS 48 HB3 HIS 48 -7.382 -2.898 -4.542 275 HD2 HIS 48 HD2 HIS 48 -4.757 -5.750 -5.394 276 HE1 HIS 48 HE1 HIS 48 -7.099 -4.905 -8.834 277 HE2 HIS 48 HE2 HIS 48 -5.369 -6.437 -7.803 278 H ILE 49 H ILE 49 -3.684 -3.212 -5.639 279 HA ILE 49 HA ILE 49 -2.778 -0.617 -5.822 280 HB ILE 49 HB ILE 49 -1.665 -2.571 -6.875 281 HG12 ILE 49 HG12 ILE 49 -1.008 -1.349 -9.042 282 HG13 ILE 49 HG11 ILE 49 -2.251 -0.196 -8.614 283 HG21 ILE 49 HG21 ILE 49 -3.507 -3.721 -7.865 284 HG22 ILE 49 HG22 ILE 49 -2.399 -3.256 -9.166 285 HG23 ILE 49 HG23 ILE 49 -3.879 -2.342 -8.891 286 HD11 ILE 49 HD11 ILE 49 0.075 -0.868 -6.875 287 HD12 ILE 49 HD31 ILE 49 -0.017 0.540 -7.933 288 HD13 ILE 49 HD21 ILE 49 -1.136 0.391 -6.583 289 H MET 50 H MET 50 -3.399 1.162 -6.881 290 HA MET 50 HA MET 50 -4.521 2.643 -8.129 291 HB2 MET 50 HB2 MET 50 -4.045 1.283 -10.011 292 HB3 MET 50 HB3 MET 50 -5.358 0.182 -9.677 293 HG2 MET 50 HG2 MET 50 -6.956 1.978 -10.209 294 HG3 MET 50 HG3 MET 50 -5.608 3.070 -10.512 295 HE1 MET 50 HE1 MET 50 -7.581 -0.069 -11.701 296 HE2 MET 50 HE2 MET 50 -5.972 -0.785 -11.535 297 HE3 MET 50 HE3 MET 50 -6.685 -0.572 -13.132 298 H ASP 51 H ASP 51 -6.303 0.259 -6.504 299 HA ASP 51 HA ASP 51 -8.945 1.295 -6.944 300 HB2 ASP 51 HB2 ASP 51 -8.150 -1.107 -6.298 301 HB3 ASP 51 HB3 ASP 51 -8.090 -0.478 -4.662 302 H LEU 52 H LEU 52 -9.961 1.273 -4.324 303 HA LEU 52 HA LEU 52 -9.410 3.870 -3.315 304 HB2 LEU 52 HB2 LEU 52 -11.012 1.520 -2.358 305 HB3 LEU 52 HB3 LEU 52 -10.926 3.042 -1.490 306 HG LEU 52 HG LEU 52 -11.848 2.875 -4.350 307 HD11 LEU 52 HD11 LEU 52 -14.152 3.120 -3.300 308 HD12 LEU 52 HD12 LEU 52 -13.421 2.509 -1.791 309 HD13 LEU 52 HD13 LEU 52 -13.398 1.544 -3.241 310 HD21 LEU 52 HD21 LEU 52 -11.128 5.063 -3.649 311 HD22 LEU 52 HD22 LEU 52 -12.055 4.927 -2.161 312 HD23 LEU 52 HD23 LEU 52 -12.896 5.051 -3.702 313 H CYS 53 H CYS 53 -8.369 4.503 -1.488 314 HA CYS 53 HA CYS 53 -6.384 2.735 -0.365 315 HB2 CYS 53 HB2 CYS 53 -7.100 5.519 0.577 316 HB3 CYS 53 HB3 CYS 53 -5.599 4.660 0.834 317 H ILE 54 H ILE 54 -6.182 3.071 2.115 318 HA ILE 54 HA ILE 54 -7.855 1.532 3.596 319 HB ILE 54 HB ILE 54 -7.150 3.140 5.543 320 HG12 ILE 54 HG12 ILE 54 -5.366 4.049 3.255 321 HG13 ILE 54 HG11 ILE 54 -6.385 5.005 4.233 322 HG21 ILE 54 HG21 ILE 54 -5.325 1.280 4.056 323 HG22 ILE 54 HG22 ILE 54 -6.383 0.960 5.447 324 HG23 ILE 54 HG23 ILE 54 -4.976 2.004 5.631 325 HD11 ILE 54 HD11 ILE 54 -3.928 3.639 5.245 326 HD12 ILE 54 HD31 ILE 54 -4.151 5.361 4.871 327 HD13 ILE 54 HD21 ILE 54 -5.075 4.620 6.181 328 H GLU 55 H GLU 55 -7.904 4.929 4.377 329 HA GLU 55 HA GLU 55 -10.536 4.825 5.396 330 HB2 GLU 55 HB2 GLU 55 -8.869 7.206 4.674 331 HB3 GLU 55 HB3 GLU 55 -10.275 7.205 5.711 332 HG2 GLU 55 HG2 GLU 55 -9.030 5.563 7.226 333 HG3 GLU 55 HG3 GLU 55 -7.663 5.843 6.219 334 H CYS 56 H CYS 56 -9.089 5.599 2.391 335 HA CYS 56 HA CYS 56 -10.967 7.384 1.387 336 HB2 CYS 56 HB2 CYS 56 -9.229 5.444 -0.089 337 HB3 CYS 56 HB3 CYS 56 -10.136 6.737 -0.859 338 H GLN 57 H GLN 57 -10.979 3.857 1.214 339 HA GLN 57 HA GLN 57 -13.266 3.690 -0.398 340 HB2 GLN 57 HB2 GLN 57 -13.596 1.403 0.554 341 HB3 GLN 57 HB3 GLN 57 -12.002 1.694 -0.154 342 HG2 GLN 57 HG2 GLN 57 -11.051 1.920 2.015 343 HG3 GLN 57 HG3 GLN 57 -12.627 1.793 2.789 344 HE21 GLN 57 HE21 GLN 57 -10.052 0.065 1.158 345 HE22 GLN 57 HE22 GLN 57 -10.647 -1.506 1.510 346 H ALA 58 H ALA 58 -13.027 3.849 3.104 347 HA ALA 58 HA ALA 58 -15.859 3.737 3.570 348 HB1 ALA 58 HB1 ALA 58 -14.227 3.182 5.316 349 HB2 ALA 58 HB2 ALA 58 -15.271 4.508 5.833 350 HB3 ALA 58 HB3 ALA 58 -13.630 4.841 5.280 351 H ASN 59 H ASN 59 -13.481 6.213 3.163 352 HA ASN 59 HA ASN 59 -14.836 8.549 3.832 353 HB2 ASN 59 HB2 ASN 59 -12.368 8.103 3.456 354 HB3 ASN 59 HB3 ASN 59 -12.734 8.135 1.743 355 HD21 ASN 59 HD21 ASN 59 -12.332 9.922 4.603 356 HD22 ASN 59 HD22 ASN 59 -12.304 11.497 3.867 357 H GLN 60 H GLN 60 -14.571 6.709 0.850 358 HA GLN 60 HA GLN 60 -15.293 6.914 -1.242 359 HB2 GLN 60 HB2 GLN 60 -17.586 7.096 -0.218 360 HB3 GLN 60 HB3 GLN 60 -17.384 8.844 -0.182 361 HG2 GLN 60 HG2 GLN 60 -17.197 8.866 -2.624 362 HG3 GLN 60 HG3 GLN 60 -17.423 7.124 -2.650 363 HE21 GLN 60 HE21 GLN 60 -19.451 7.236 -0.475 364 HE22 GLN 60 HE22 GLN 60 -20.866 7.854 -1.254 365 H ALA 61 H ALA 61 -13.495 7.757 -1.986 366 HA ALA 61 HA ALA 61 -12.461 10.244 -1.320 367 HB1 ALA 61 HB1 ALA 61 -10.818 9.850 -3.083 368 HB2 ALA 61 HB2 ALA 61 -11.813 8.543 -3.728 369 HB3 ALA 61 HB3 ALA 61 -11.094 8.397 -2.126 370 H SER 62 H SER 62 -12.538 12.221 -2.169 371 HA SER 62 HA SER 62 -14.666 12.907 -3.890 372 HB2 SER 62 HB2 SER 62 -12.338 14.583 -2.928 373 HB3 SER 62 HB3 SER 62 -13.847 15.186 -3.620 374 HG SER 62 HG SER 62 -14.658 13.668 -1.733 375 H ALA 63 H ALA 63 -11.457 11.920 -4.473 376 HA ALA 63 HA ALA 63 -11.170 13.216 -7.017 377 HB1 ALA 63 HB1 ALA 63 -9.203 11.758 -7.295 378 HB2 ALA 63 HB2 ALA 63 -9.659 10.876 -5.834 379 HB3 ALA 63 HB3 ALA 63 -9.194 12.569 -5.730 380 H THR 64 H THR 64 -10.861 9.702 -6.649 381 HA THR 64 HA THR 64 -13.269 9.169 -8.177 382 HB THR 64 HB THR 64 -10.583 8.006 -8.977 383 HG1 THR 64 HG3 THR 64 -10.287 9.855 -9.842 384 HG21 THR 64 HG21 THR 64 -13.293 8.014 -10.313 385 HG22 THR 64 HG22 THR 64 -12.509 6.640 -9.529 386 HG23 THR 64 HG23 THR 64 -11.823 7.320 -11.001 387 H SER 65 H SER 65 -14.151 7.150 -7.547 388 HA SER 65 HA SER 65 -12.563 5.780 -5.502 389 HB2 SER 65 HB2 SER 65 -15.541 5.655 -5.991 390 HB3 SER 65 HB3 SER 65 -14.614 4.764 -4.755 391 HG SER 65 HG SER 65 -14.263 7.516 -4.857 392 H GLU 66 H GLU 66 -13.824 5.531 -8.606 393 HA GLU 66 HA GLU 66 -13.801 2.757 -9.062 394 HB2 GLU 66 HB2 GLU 66 -14.593 4.530 -10.628 395 HB3 GLU 66 HB3 GLU 66 -12.935 5.029 -10.854 396 HG2 GLU 66 HG2 GLU 66 -12.402 2.894 -11.886 397 HG3 GLU 66 HG3 GLU 66 -14.064 2.348 -11.625 398 H GLU 67 H GLU 67 -11.316 5.238 -8.935 399 HA GLU 67 HA GLU 67 -9.335 3.390 -8.159 400 HB2 GLU 67 HB2 GLU 67 -7.725 4.268 -9.814 401 HB3 GLU 67 HB3 GLU 67 -9.025 3.390 -10.608 402 HG2 GLU 67 HG2 GLU 67 -10.092 5.536 -11.179 403 HG3 GLU 67 HG3 GLU 67 -8.807 6.401 -10.398 404 H CYS 68 H CYS 68 -8.371 4.463 -6.473 405 HA CYS 68 HA CYS 68 -9.184 7.139 -5.921 406 HB2 CYS 68 HB2 CYS 68 -8.638 5.692 -4.054 407 HB3 CYS 68 HB3 CYS 68 -6.993 5.466 -4.622 408 H THR 69 H THR 69 -5.814 6.409 -5.776 409 HA THR 69 HA THR 69 -5.184 7.952 -8.156 410 HB THR 69 HB THR 69 -3.490 9.267 -6.912 411 HG1 THR 69 HG3 THR 69 -4.968 8.491 -4.645 412 HG21 THR 69 HG21 THR 69 -4.995 10.948 -5.950 413 HG22 THR 69 HG22 THR 69 -6.285 9.748 -5.875 414 HG23 THR 69 HG23 THR 69 -5.694 10.287 -7.434 415 H VAL 70 H VAL 70 -3.112 7.276 -8.969 416 HA VAL 70 HA VAL 70 -1.637 5.391 -7.311 417 HB VAL 70 HB VAL 70 -3.315 4.033 -8.459 418 HG11 VAL 70 HG11 VAL 70 -1.983 4.892 -11.003 419 HG12 VAL 70 HG12 VAL 70 -3.637 5.238 -10.465 420 HG13 VAL 70 HG13 VAL 70 -3.160 3.577 -10.833 421 HG21 VAL 70 HG21 VAL 70 -1.191 3.050 -7.791 422 HG22 VAL 70 HG22 VAL 70 -0.513 3.448 -9.380 423 HG23 VAL 70 HG23 VAL 70 -1.830 2.287 -9.244 424 H ALA 71 H ALA 71 0.494 5.103 -7.728 425 HA ALA 71 HA ALA 71 1.611 6.662 -9.931 426 HB1 ALA 71 HB1 ALA 71 2.553 6.701 -7.063 427 HB2 ALA 71 HB2 ALA 71 1.700 8.006 -7.871 428 HB3 ALA 71 HB3 ALA 71 3.307 7.539 -8.421 429 H TRP 72 H TRP 72 3.255 5.737 -10.946 430 HA TRP 72 HA TRP 72 4.056 3.117 -10.005 431 HB2 TRP 72 HB2 TRP 72 4.690 4.472 -12.567 432 HB3 TRP 72 HB3 TRP 72 4.760 2.770 -12.256 433 HD1 TRP 72 HD TRP 72 2.739 4.916 -14.234 434 HE1 TRP 72 HE1 TRP 72 0.275 4.116 -14.496 435 HE3 TRP 72 HE3 TRP 72 2.540 1.638 -10.421 436 HZ2 TRP 72 HZ2 TRP 72 -1.490 2.329 -13.252 437 HZ3 TRP 72 HZ3 TRP 72 0.375 0.383 -9.996 438 HH2 TRP 72 HH TRP 72 -1.550 0.753 -11.393 439 H GLY 73 H GLY 73 6.161 2.740 -9.594 440 HA2 GLY 73 HA2 GLY 73 7.870 5.095 -9.284 441 HA3 GLY 73 HA3 GLY 73 8.019 3.550 -8.430 442 H VAL 74 H VAL 74 9.849 5.201 -10.188 443 HA VAL 74 HA VAL 74 10.326 3.813 -12.617 444 HB VAL 74 HB VAL 74 12.334 5.292 -10.910 445 HG11 VAL 74 HG11 VAL 74 12.421 4.597 -13.849 446 HG12 VAL 74 HG12 VAL 74 13.466 3.957 -12.580 447 HG13 VAL 74 HG13 VAL 74 13.578 5.660 -13.043 448 HG21 VAL 74 HG21 VAL 74 10.488 6.748 -11.422 449 HG22 VAL 74 HG22 VAL 74 10.542 6.268 -13.109 450 HG23 VAL 74 HG23 VAL 74 11.856 7.234 -12.433 451 H CYS 75 H CYS 75 11.053 3.185 -9.354 452 HA CYS 75 HA CYS 75 13.178 1.333 -9.688 453 HB2 CYS 75 HB2 CYS 75 12.591 0.994 -7.237 454 HB3 CYS 75 HB3 CYS 75 13.049 2.624 -7.732 455 H ASN 76 H ASN 76 10.388 0.969 -10.988 456 HA ASN 76 HA ASN 76 8.984 -0.657 -11.634 457 HB2 ASN 76 HB2 ASN 76 11.278 -1.871 -11.766 458 HB3 ASN 76 HB3 ASN 76 10.784 -2.645 -10.272 459 HD21 ASN 76 HD21 ASN 76 7.956 -2.915 -11.092 460 HD22 ASN 76 HD22 ASN 76 7.924 -4.129 -12.325 461 H HIS 77 H HIS 77 8.575 0.688 -9.305 462 HA HIS 77 HA HIS 77 7.206 -1.320 -7.702 463 HB2 HIS 77 HB2 HIS 77 8.540 1.199 -6.923 464 HB3 HIS 77 HB3 HIS 77 7.160 0.669 -5.945 465 HD2 HIS 77 HD2 HIS 77 8.091 -2.586 -6.095 466 HE1 HIS 77 HE1 HIS 77 11.445 -1.141 -3.967 467 HE2 HIS 77 HE2 HIS 77 10.247 -3.176 -4.861 468 H ALA 78 H ALA 78 5.091 -0.536 -6.685 469 HA ALA 78 HA ALA 78 3.868 1.640 -8.115 470 HB1 ALA 78 HB1 ALA 78 1.970 0.310 -8.765 471 HB2 ALA 78 HB2 ALA 78 2.688 -1.139 -8.075 472 HB3 ALA 78 HB3 ALA 78 3.430 -0.367 -9.481 473 H PHE 79 H PHE 79 2.672 2.788 -6.763 474 HA PHE 79 HA PHE 79 1.435 1.514 -4.449 475 HB2 PHE 79 HB2 PHE 79 3.151 3.985 -4.323 476 HB3 PHE 79 HB3 PHE 79 2.200 3.376 -2.980 477 HD1 PHE 79 HD2 PHE 79 2.943 1.104 -1.964 478 HD2 PHE 79 HD3 PHE 79 5.286 3.225 -4.824 479 HE1 PHE 79 HE2 PHE 79 5.001 -0.239 -1.349 480 HE2 PHE 79 HE1 PHE 79 7.249 1.904 -4.198 481 HZ PHE 79 HZ PHE 79 7.082 0.189 -2.479 482 H HIS 80 H HIS 80 -0.088 3.250 -3.381 483 HA HIS 80 HA HIS 80 -1.573 4.537 -5.459 484 HB2 HIS 80 HB2 HIS 80 -1.707 4.460 -2.473 485 HB3 HIS 80 HB3 HIS 80 -2.605 5.655 -3.366 486 HD2 HIS 80 HD2 HIS 80 -3.853 3.770 -5.712 487 HE1 HIS 80 HE1 HIS 80 -5.506 1.552 -2.557 488 HE2 HIS 80 HE2 HIS 80 -5.875 2.537 -4.704 489 H PHE 81 H PHE 81 -1.470 6.630 -6.043 490 HA PHE 81 HA PHE 81 0.854 8.091 -5.480 491 HB2 PHE 81 HB2 PHE 81 -0.428 8.511 -7.503 492 HB3 PHE 81 HB3 PHE 81 -1.783 9.046 -6.520 493 HD1 PHE 81 HD3 PHE 81 1.787 9.869 -7.231 494 HD2 PHE 81 HD2 PHE 81 -2.040 11.323 -6.050 495 HE1 PHE 81 HE1 PHE 81 2.636 12.167 -7.302 496 HE2 PHE 81 HE2 PHE 81 -1.187 13.621 -6.122 497 HZ PHE 81 HZ PHE 81 1.155 14.045 -6.751 498 H HIS 82 H HIS 82 -2.357 8.208 -4.134 499 HA HIS 82 HA HIS 82 -2.029 10.405 -2.422 500 HB2 HIS 82 HB2 HIS 82 -4.197 9.367 -2.916 501 HB3 HIS 82 HB3 HIS 82 -3.701 7.905 -2.091 502 HD2 HIS 82 HD2 HIS 82 -2.893 11.098 -0.171 503 HE1 HIS 82 HE1 HIS 82 -6.451 9.481 1.487 504 HE2 HIS 82 HE2 HIS 82 -4.696 11.272 1.715 505 H CYS 83 H CYS 83 -1.514 6.916 -1.818 506 HA CYS 83 HA CYS 83 -0.737 7.249 0.851 507 HB2 CYS 83 HB2 CYS 83 -0.106 4.892 -0.970 508 HB3 CYS 83 HB3 CYS 83 -0.089 4.991 0.770 509 H ILE 84 H ILE 84 1.094 6.827 -2.171 510 HA ILE 84 HA ILE 84 3.575 6.819 -0.854 511 HB ILE 84 HB ILE 84 3.280 5.931 -3.215 512 HG12 ILE 84 HG12 ILE 84 5.444 6.831 -4.074 513 HG13 ILE 84 HG11 ILE 84 5.437 7.982 -2.758 514 HG21 ILE 84 HG21 ILE 84 1.951 7.786 -4.003 515 HG22 ILE 84 HG22 ILE 84 3.294 7.376 -5.080 516 HG23 ILE 84 HG23 ILE 84 3.388 8.817 -4.035 517 HD11 ILE 84 HD11 ILE 84 5.494 6.113 -1.140 518 HD12 ILE 84 HD31 ILE 84 5.565 4.982 -2.494 519 HD13 ILE 84 HD21 ILE 84 6.873 6.130 -2.226 520 H SER 85 H SER 85 1.648 9.420 -2.188 521 HA SER 85 HA SER 85 3.549 11.461 -1.823 522 HB2 SER 85 HB2 SER 85 0.533 11.634 -1.773 523 HB3 SER 85 HB3 SER 85 1.617 13.027 -1.824 524 HG SER 85 HG SER 85 1.105 11.057 -3.712 525 H ARG 86 H ARG 86 1.122 10.150 0.402 526 HA ARG 86 HA ARG 86 1.702 11.855 2.594 527 HB2 ARG 86 HB2 ARG 86 0.696 8.999 2.497 528 HB3 ARG 86 HB3 ARG 86 0.747 9.966 3.960 529 HG2 ARG 86 HG2 ARG 86 -0.820 10.716 1.497 530 HG3 ARG 86 HG3 ARG 86 -1.473 9.817 2.857 531 HD2 ARG 86 HD2 ARG 86 -0.192 12.533 3.159 532 HD3 ARG 86 HD3 ARG 86 -1.918 12.308 2.858 533 HE ARG 86 HE ARG 86 -0.796 10.867 5.114 534 HH11 ARG 86 HH11 ARG 86 -2.479 13.839 4.077 535 HH12 ARG 86 HH12 ARG 86 -3.192 14.091 5.596 536 HH21 ARG 86 HH21 ARG 86 -1.768 11.272 7.168 537 HH22 ARG 86 HH22 ARG 86 -2.798 12.640 7.392 538 H TRP 87 H TRP 87 3.020 8.804 1.467 539 HA TRP 87 HA TRP 87 4.817 8.271 3.548 540 HB2 TRP 87 HB2 TRP 87 4.224 6.577 1.913 541 HB3 TRP 87 HB3 TRP 87 4.862 7.565 0.615 542 HD1 TRP 87 HD TRP 87 7.333 7.237 -0.014 543 HE1 TRP 87 HE1 TRP 87 9.261 5.852 0.981 544 HE3 TRP 87 HE3 TRP 87 5.089 5.732 4.295 545 HZ2 TRP 87 HZ2 TRP 87 9.758 4.302 3.297 546 HZ3 TRP 87 HZ3 TRP 87 6.347 4.287 5.863 547 HH2 TRP 87 HH TRP 87 8.635 3.599 5.372 548 H LEU 88 H LEU 88 5.191 9.940 0.505 549 HA LEU 88 HA LEU 88 7.940 10.540 0.817 550 HB2 LEU 88 HB2 LEU 88 5.844 11.619 -1.022 551 HB3 LEU 88 HB3 LEU 88 7.543 12.030 -1.155 552 HG LEU 88 HG LEU 88 6.480 9.221 -1.318 553 HD11 LEU 88 HD11 LEU 88 7.248 11.106 -3.540 554 HD12 LEU 88 HD12 LEU 88 5.622 10.509 -3.129 555 HD13 LEU 88 HD13 LEU 88 6.853 9.384 -3.677 556 HD21 LEU 88 HD21 LEU 88 8.830 9.354 -0.613 557 HD22 LEU 88 HD22 LEU 88 9.196 10.389 -1.985 558 HD23 LEU 88 HD23 LEU 88 8.711 8.727 -2.248 559 H LYS 89 H LYS 89 5.070 12.124 1.776 560 HA LYS 89 HA LYS 89 6.050 14.674 2.365 561 HB2 LYS 89 HB2 LYS 89 3.670 13.963 2.551 562 HB3 LYS 89 HB3 LYS 89 4.091 13.009 3.967 563 HG2 LYS 89 HG2 LYS 89 4.757 15.068 5.133 564 HG3 LYS 89 HG3 LYS 89 4.265 16.008 3.726 565 HD2 LYS 89 HD2 LYS 89 2.431 14.201 5.302 566 HD3 LYS 89 HD3 LYS 89 2.552 15.945 5.531 567 HE2 LYS 89 HE2 LYS 89 1.690 14.539 2.992 568 HE3 LYS 89 HE1 LYS 89 0.635 15.346 4.138 569 HZ1 LYS 89 HZ1 LYS 89 2.699 16.631 2.414 570 HZ2 LYS 89 HZ2 LYS 89 1.905 17.429 3.651 571 HZ3 LYS 89 HZ3 LYS 89 1.026 16.837 2.341 572 H THR 90 H THR 90 6.080 11.630 4.128 573 HA THR 90 HA THR 90 7.700 12.774 6.225 574 HB THR 90 HB THR 90 7.475 10.532 7.297 575 HG1 THR 90 HG3 THR 90 6.819 9.771 4.843 576 HG21 THR 90 HG21 THR 90 5.867 12.345 7.746 577 HG22 THR 90 HG22 THR 90 5.066 10.759 7.727 578 HG23 THR 90 HG23 THR 90 4.944 11.829 6.330 579 H ARG 91 H ARG 91 8.261 10.809 3.356 580 HA ARG 91 HA ARG 91 10.987 10.165 4.282 581 HB2 ARG 91 HB2 ARG 91 9.102 8.296 2.828 582 HB3 ARG 91 HB3 ARG 91 10.770 7.986 3.206 583 HG2 ARG 91 HG2 ARG 91 8.659 8.471 5.283 584 HG3 ARG 91 HG3 ARG 91 9.167 6.881 4.726 585 HD2 ARG 91 HD2 ARG 91 11.467 7.391 5.403 586 HD3 ARG 91 HD3 ARG 91 10.929 8.938 6.054 587 HE ARG 91 HE ARG 91 9.473 7.630 7.550 588 HH11 ARG 91 HH11 ARG 91 12.428 6.205 6.226 589 HH12 ARG 91 HH12 ARG 91 12.611 5.024 7.409 590 HH21 ARG 91 HH21 ARG 91 9.710 6.007 9.267 591 HH22 ARG 91 HH22 ARG 91 10.989 4.884 9.194 592 H GLN 92 H GLN 92 12.540 9.897 2.660 593 HA GLN 92 HA GLN 92 11.883 11.147 0.083 594 HB2 GLN 92 HB2 GLN 92 14.457 10.610 1.506 595 HB3 GLN 92 HB3 GLN 92 14.372 11.231 -0.137 596 HG2 GLN 92 HG2 GLN 92 13.199 13.220 0.702 597 HG3 GLN 92 HG3 GLN 92 13.255 12.548 2.335 598 HE21 GLN 92 HE21 GLN 92 14.375 14.352 3.056 599 HE22 GLN 92 HE22 GLN 92 16.056 14.595 2.704 600 H VAL 93 H VAL 93 12.232 8.105 1.407 601 HA VAL 93 HA VAL 93 13.365 6.985 -1.077 602 HB VAL 93 HB VAL 93 14.323 5.164 0.358 603 HG11 VAL 93 HG11 VAL 93 15.267 7.964 0.960 604 HG12 VAL 93 HG12 VAL 93 15.690 7.013 -0.469 605 HG13 VAL 93 HG13 VAL 93 16.221 6.485 1.128 606 HG21 VAL 93 HG21 VAL 93 13.588 7.084 2.542 607 HG22 VAL 93 HG22 VAL 93 14.565 5.622 2.761 608 HG23 VAL 93 HG23 VAL 93 12.855 5.497 2.307 609 H CYS 94 H CYS 94 12.778 4.897 -1.628 610 HA CYS 94 HA CYS 94 10.154 4.136 -1.564 611 HB2 CYS 94 HB2 CYS 94 12.658 2.569 -1.831 612 HB3 CYS 94 HB3 CYS 94 11.113 1.790 -2.081 613 HA PRO 95 HA PRO 95 9.566 2.450 2.614 614 HB2 PRO 95 HB2 PRO 95 7.660 0.692 1.205 615 HB3 PRO 95 HB3 PRO 95 7.367 1.786 2.554 616 HG2 PRO 95 HG2 PRO 95 6.488 2.341 0.096 617 HG3 PRO 95 HG3 PRO 95 7.096 3.635 1.160 618 HD2 PRO 95 HD2 PRO 95 8.385 2.277 -1.162 619 HD3 PRO 95 HD3 PRO 95 8.448 3.983 -0.665 620 H LEU 96 H LEU 96 10.036 0.705 -0.277 621 HA LEU 96 HA LEU 96 10.427 -1.875 1.079 622 HB2 LEU 96 HB2 LEU 96 10.303 -1.335 -1.891 623 HB3 LEU 96 HB3 LEU 96 10.159 -2.869 -1.077 624 HG LEU 96 HG LEU 96 8.139 -0.664 -1.033 625 HD11 LEU 96 HD11 LEU 96 8.138 -3.349 -2.363 626 HD12 LEU 96 HD12 LEU 96 8.326 -1.775 -3.127 627 HD13 LEU 96 HD13 LEU 96 6.789 -2.196 -2.354 628 HD21 LEU 96 HD21 LEU 96 8.136 -1.912 1.082 629 HD22 LEU 96 HD22 LEU 96 8.011 -3.424 0.161 630 HD23 LEU 96 HD23 LEU 96 6.694 -2.258 0.123 631 H ASP 97 H ASP 97 11.905 0.229 -1.395 632 HA ASP 97 HA ASP 97 14.237 -1.415 -1.672 633 HB2 ASP 97 HB2 ASP 97 13.513 1.263 -2.799 634 HB3 ASP 97 HB3 ASP 97 15.091 0.525 -3.058 635 H ASN 98 H ASN 98 13.467 1.511 0.094 636 HA ASN 98 HA ASN 98 14.690 3.003 1.294 637 HB2 ASN 98 HB2 ASN 98 16.624 0.712 1.357 638 HB3 ASN 98 HB3 ASN 98 16.960 2.216 2.220 639 HD21 ASN 98 HD21 ASN 98 16.617 -0.517 3.196 640 HD22 ASN 98 HD22 ASN 98 15.335 -0.437 4.362 641 H ARG 99 H ARG 99 14.754 2.806 -1.540 642 HA ARG 99 HA ARG 99 17.291 3.958 -2.389 643 HB2 ARG 99 HB2 ARG 99 16.479 1.899 -3.576 644 HB3 ARG 99 HB3 ARG 99 14.915 2.713 -3.574 645 HG2 ARG 99 HG2 ARG 99 15.627 2.751 -5.680 646 HG3 ARG 99 HG3 ARG 99 15.752 4.369 -4.968 647 HD2 ARG 99 HD2 ARG 99 18.203 4.107 -4.750 648 HD3 ARG 99 HD3 ARG 99 18.103 2.473 -5.413 649 HE ARG 99 HE ARG 99 17.248 4.781 -7.015 650 HH11 ARG 99 HH11 ARG 99 19.471 2.001 -6.616 651 HH12 ARG 99 HH12 ARG 99 20.053 2.114 -8.209 652 HH21 ARG 99 HH21 ARG 99 18.112 4.883 -9.223 653 HH22 ARG 99 HH22 ARG 99 19.278 3.741 -9.695 654 H GLU 100 H GLU 100 16.879 5.885 -3.632 655 HA GLU 100 HA GLU 100 14.866 7.557 -2.492 656 HB2 GLU 100 HB2 GLU 100 16.988 8.491 -3.350 657 HB3 GLU 100 HB3 GLU 100 16.518 8.044 -4.979 658 HG2 GLU 100 HG2 GLU 100 14.644 9.585 -4.891 659 HG3 GLU 100 HG3 GLU 100 15.066 10.014 -3.236 660 H TRP 101 H TRP 101 12.760 7.802 -3.037 661 HA TRP 101 HA TRP 101 11.712 6.119 -5.055 662 HB2 TRP 101 HB2 TRP 101 10.280 6.409 -3.191 663 HB3 TRP 101 HB3 TRP 101 10.493 8.137 -3.154 664 HD1 TRP 101 HD TRP 101 9.018 9.582 -4.795 665 HE1 TRP 101 HE1 TRP 101 6.944 9.062 -6.217 666 HE3 TRP 101 HE3 TRP 101 9.169 4.558 -4.518 667 HZ2 TRP 101 HZ2 TRP 101 5.548 6.812 -7.099 668 HZ3 TRP 101 HZ3 TRP 101 7.395 3.237 -5.699 669 HH2 TRP 101 HH TRP 101 5.623 4.386 -6.950 670 H GLU 102 H GLU 102 11.193 6.526 -7.071 671 HA GLU 102 HA GLU 102 11.218 9.305 -8.017 672 HB2 GLU 102 HB2 GLU 102 12.412 6.853 -9.303 673 HB3 GLU 102 HB3 GLU 102 12.201 8.396 -10.139 674 HG2 GLU 102 HG2 GLU 102 13.690 9.474 -8.569 675 HG3 GLU 102 HG3 GLU 102 13.842 7.980 -7.654 676 H PHE 103 H PHE 103 9.593 9.834 -9.429 677 HA PHE 103 HA PHE 103 7.402 7.932 -9.650 678 HB2 PHE 103 HB2 PHE 103 7.645 10.853 -10.352 679 HB3 PHE 103 HB3 PHE 103 6.232 9.910 -10.758 680 HD1 PHE 103 HD2 PHE 103 4.934 8.885 -8.881 681 HD2 PHE 103 HD3 PHE 103 7.910 11.836 -8.295 682 HE1 PHE 103 HE2 PHE 103 3.938 9.430 -6.674 683 HE2 PHE 103 HE1 PHE 103 6.933 12.401 -6.086 684 HZ PHE 103 HZ PHE 103 4.941 11.189 -5.290 685 H GLN 104 H GLN 104 7.463 6.551 -11.247 686 HA GLN 104 HA GLN 104 8.796 6.973 -13.747 687 HB2 GLN 104 HB2 GLN 104 8.473 4.729 -12.748 688 HB3 GLN 104 HB3 GLN 104 6.747 4.928 -12.928 689 HG2 GLN 104 HG2 GLN 104 6.894 4.878 -15.284 690 HG3 GLN 104 HG3 GLN 104 8.668 4.907 -15.239 691 HE21 GLN 104 HE21 GLN 104 6.703 2.975 -13.045 692 HE22 GLN 104 HE22 GLN 104 7.161 1.459 -13.731 693 H LYS 105 H LYS 105 5.434 6.958 -12.696 694 HA LYS 105 HA LYS 105 4.606 9.053 -14.309 695 HB2 LYS 105 HB2 LYS 105 4.888 7.260 -16.083 696 HB3 LYS 105 HB3 LYS 105 3.666 6.319 -15.253 697 HG2 LYS 105 HG2 LYS 105 2.015 8.051 -15.682 698 HG3 LYS 105 HG3 LYS 105 3.248 9.052 -16.447 699 HD2 LYS 105 HD2 LYS 105 3.579 7.319 -18.159 700 HD3 LYS 105 HD3 LYS 105 2.332 6.336 -17.385 701 HE2 LYS 105 HE2 LYS 105 1.372 7.493 -19.270 702 HE3 LYS 105 HE1 LYS 105 0.710 8.153 -17.773 703 HZ1 LYS 105 HZ1 LYS 105 1.260 9.931 -19.270 704 HZ2 LYS 105 HZ2 LYS 105 2.814 9.365 -19.495 705 HZ3 LYS 105 HZ3 LYS 105 2.365 10.005 -17.990 706 H TYR 106 H TYR 106 2.427 9.605 -13.630 707 HA TYR 106 HA TYR 106 1.118 7.649 -11.948 708 HB2 TYR 106 HB2 TYR 106 0.839 9.213 -10.045 709 HB3 TYR 106 HB3 TYR 106 2.492 8.695 -10.317 710 HD1 TYR 106 HD2 TYR 106 0.167 11.537 -10.460 711 HD2 TYR 106 HD3 TYR 106 4.196 10.285 -10.972 712 HE1 TYR 106 HE2 TYR 106 0.896 13.880 -10.426 713 HE2 TYR 106 HE1 TYR 106 4.938 12.630 -10.933 714 HH TYR 106 HH TYR 106 4.084 14.831 -11.292 715 H GLY 107 H GLY 107 -1.015 8.189 -11.267 716 HA2 GLY 107 HA2 GLY 107 -2.271 10.338 -12.805 717 HA3 GLY 107 HA3 GLY 107 -2.944 8.709 -12.839 718 H HIS 108 H HIS 108 -3.401 11.601 -11.510 719 HA HIS 108 HA HIS 108 -4.574 10.408 -9.121 720 HB2 HIS 108 HB2 HIS 108 -4.138 12.609 -7.946 721 HB3 HIS 108 HB3 HIS 108 -2.692 11.681 -8.331 722 HD2 HIS 108 HD2 HIS 108 -4.006 15.200 -8.708 723 HE1 HIS 108 HE1 HIS 108 -0.948 14.769 -11.618 724 HE2 HIS 108 HE2 HIS 108 -2.874 16.166 -10.777
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