NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
22510 | 2jp1 | 15215 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA VAL 1 HA VAL 1 0.884 -9.230 17.370 2 HB VAL 1 HB VAL 1 -0.707 -7.586 18.345 3 H1 VAL 1 H1 VAL 1 0.177 -11.415 16.852 4 H2 VAL 1 H2 VAL 1 -0.614 -10.331 15.836 5 H3 VAL 1 H3 VAL 1 -1.428 -11.022 17.131 6 HG11 VAL 1 HG11 VAL 1 -0.104 -7.365 16.016 7 HG12 VAL 1 HG12 VAL 1 -1.782 -6.881 16.258 8 HG13 VAL 1 HG13 VAL 1 -1.412 -8.453 15.550 9 HG21 VAL 1 HG21 VAL 1 -2.454 -9.126 19.092 10 HG22 VAL 1 HG22 VAL 1 -2.854 -9.503 17.417 11 HG23 VAL 1 HG23 VAL 1 -3.132 -7.880 18.043 12 H GLY 2 H GLY 2 0.277 -8.201 19.833 13 HA2 GLY 2 HA2 GLY 2 -0.014 -8.786 22.085 14 HA3 GLY 2 HA3 GLY 2 -0.086 -10.483 21.617 15 H SER 3 H SER 3 2.258 -8.142 20.598 16 HA SER 3 HA SER 3 4.431 -7.953 20.716 17 HG SER 3 HG SER 3 6.351 -9.611 23.193 18 HB2 SER 3 HB2 SER 3 4.258 -8.007 23.200 19 HB3 SER 3 HB3 SER 3 4.324 -9.760 23.165 20 H GLU 4 H GLU 4 4.650 -8.852 18.753 21 HA GLU 4 HA GLU 4 5.856 -11.510 18.772 22 HB2 GLU 4 HB2 GLU 4 3.595 -11.654 17.731 23 HB3 GLU 4 HB3 GLU 4 4.073 -10.416 16.574 24 HG2 GLU 4 HG2 GLU 4 5.826 -11.889 15.712 25 HG3 GLU 4 HG3 GLU 4 5.358 -13.125 16.872 26 H VAL 5 H VAL 5 7.880 -11.342 18.180 27 HA VAL 5 HA VAL 5 8.541 -9.213 16.319 28 HB VAL 5 HB VAL 5 10.864 -9.163 17.351 29 HG11 VAL 5 HG11 VAL 5 9.207 -7.433 17.829 30 HG12 VAL 5 HG12 VAL 5 10.180 -7.789 19.258 31 HG13 VAL 5 HG13 VAL 5 8.539 -8.424 19.130 32 HG21 VAL 5 HG21 VAL 5 9.483 -10.714 19.549 33 HG22 VAL 5 HG22 VAL 5 11.091 -10.001 19.650 34 HG23 VAL 5 HG23 VAL 5 10.779 -11.321 18.522 35 H SER 6 H SER 6 8.396 -10.336 14.505 36 HA SER 6 HA SER 6 9.895 -12.806 14.262 37 HG SER 6 HG SER 6 8.563 -14.059 12.099 38 HB2 SER 6 HB2 SER 6 7.608 -12.630 13.288 39 HB3 SER 6 HB3 SER 6 8.180 -11.346 12.236 40 H ASP 7 H ASP 7 11.467 -13.023 12.622 41 HA ASP 7 HA ASP 7 12.725 -10.480 11.929 42 HB2 ASP 7 HB2 ASP 7 13.881 -13.265 12.063 43 HB3 ASP 7 HB3 ASP 7 14.729 -11.910 11.334 44 H LYS 8 H LYS 8 10.705 -12.739 10.709 45 HA LYS 8 HA LYS 8 11.748 -12.597 7.980 46 HB2 LYS 8 HB2 LYS 8 9.309 -14.017 9.063 47 HB3 LYS 8 HB3 LYS 8 9.945 -14.163 7.436 48 HG2 LYS 8 HG2 LYS 8 11.951 -15.229 8.316 49 HG3 LYS 8 HG3 LYS 8 11.330 -15.043 9.960 50 HD2 LYS 8 HD2 LYS 8 9.370 -16.404 9.342 51 HD3 LYS 8 HD3 LYS 8 10.057 -16.639 7.738 52 HE2 LYS 8 HE2 LYS 8 11.995 -17.745 8.729 53 HE3 LYS 8 HE3 LYS 8 11.327 -17.491 10.337 54 HZ1 LYS 8 HZ1 LYS 8 10.059 -19.124 8.199 55 HZ2 LYS 8 HZ2 LYS 8 9.441 -18.866 9.743 56 HZ3 LYS 8 HZ3 LYS 8 10.868 -19.732 9.555 57 H ARG 9 H ARG 9 8.424 -12.400 9.200 58 HA ARG 9 HA ARG 9 8.080 -9.785 7.913 59 HE ARG 9 HE ARG 9 7.192 -12.116 3.049 60 HB2 ARG 9 HB2 ARG 9 6.138 -12.053 7.542 61 HB3 ARG 9 HB3 ARG 9 6.135 -10.430 6.868 62 HG2 ARG 9 HG2 ARG 9 7.900 -10.868 5.388 63 HG3 ARG 9 HG3 ARG 9 8.285 -12.399 6.181 64 HD2 ARG 9 HD2 ARG 9 6.159 -13.331 5.481 65 HD3 ARG 9 HD3 ARG 9 5.700 -11.791 4.769 66 HH11 ARG 9 HH11 ARG 9 7.260 -14.879 5.272 67 HH12 ARG 9 HH12 ARG 9 7.878 -15.963 4.120 68 HH21 ARG 9 HH21 ARG 9 8.010 -13.590 1.501 69 HH22 ARG 9 HH22 ARG 9 8.320 -15.210 1.886 70 H THR 10 H THR 10 7.208 -8.607 9.515 71 HA THR 10 HA THR 10 5.418 -10.019 11.321 72 HB THR 10 HB THR 10 6.782 -7.358 11.833 73 HG1 THR 10 HG1 THR 10 8.506 -8.631 12.140 74 HG21 THR 10 HG21 THR 10 6.137 -7.827 14.155 75 HG22 THR 10 HG22 THR 10 5.429 -9.359 13.602 76 HG23 THR 10 HG23 THR 10 4.729 -7.838 13.059 77 H CYS 11 H CYS 11 3.298 -9.204 11.613 78 HA CYS 11 HA CYS 11 2.627 -6.807 10.074 79 HB2 CYS 11 HB2 CYS 11 0.767 -9.163 10.684 80 HB3 CYS 11 HB3 CYS 11 0.358 -7.696 9.853 81 H VAL 12 H VAL 12 1.192 -5.432 11.147 82 HA VAL 12 HA VAL 12 0.502 -6.100 13.941 83 HB VAL 12 HB VAL 12 1.853 -3.473 13.203 84 HG11 VAL 12 HG11 VAL 12 0.949 -4.492 15.896 85 HG12 VAL 12 HG12 VAL 12 0.186 -3.216 14.952 86 HG13 VAL 12 HG13 VAL 12 1.808 -2.981 15.590 87 HG21 VAL 12 HG21 VAL 12 2.919 -5.753 14.876 88 HG22 VAL 12 HG22 VAL 12 3.719 -4.198 14.639 89 HG23 VAL 12 HG23 VAL 12 3.492 -5.292 13.275 90 H SER 13 H SER 13 -1.448 -5.342 14.629 91 HA SER 13 HA SER 13 -2.842 -3.459 12.908 92 HG SER 13 HG SER 13 -4.494 -5.902 15.618 93 HB2 SER 13 HB2 SER 13 -4.858 -4.370 14.200 94 HB3 SER 13 HB3 SER 13 -4.125 -5.459 13.000 95 H LEU 14 H LEU 14 -3.273 -1.568 13.731 96 HA LEU 14 HA LEU 14 -3.227 -1.333 16.625 97 HG LEU 14 HG LEU 14 -2.199 0.368 13.473 98 HB2 LEU 14 HB2 LEU 14 -2.429 1.038 16.352 99 HB3 LEU 14 HB3 LEU 14 -1.264 -0.152 15.818 100 HD11 LEU 14 HD11 LEU 14 -3.128 2.799 14.959 101 HD12 LEU 14 HD12 LEU 14 -4.145 1.600 14.165 102 HD13 LEU 14 HD13 LEU 14 -3.080 2.624 13.209 103 HD21 LEU 14 HD21 LEU 14 -0.648 2.259 13.250 104 HD22 LEU 14 HD22 LEU 14 0.043 0.937 14.189 105 HD23 LEU 14 HD23 LEU 14 -0.562 2.379 15.006 106 H THR 15 H THR 15 -4.869 -0.280 17.567 107 HA THR 15 HA THR 15 -7.146 0.109 15.781 108 HB THR 15 HB THR 15 -7.255 -0.510 18.750 109 HG1 THR 15 HG1 THR 15 -6.074 -2.153 17.501 110 HG21 THR 15 HG21 THR 15 -9.079 -1.004 16.442 111 HG22 THR 15 HG22 THR 15 -9.325 0.294 17.621 112 HG23 THR 15 HG23 THR 15 -9.444 -1.414 18.118 113 H THR 16 H THR 16 -7.892 2.157 15.618 114 HA THR 16 HA THR 16 -7.187 4.101 17.692 115 HB THR 16 HB THR 16 -6.794 5.725 15.777 116 HG1 THR 16 HG1 THR 16 -6.209 3.465 14.240 117 HG21 THR 16 HG21 THR 16 -4.970 3.364 16.043 118 HG22 THR 16 HG22 THR 16 -4.947 4.791 17.083 119 HG23 THR 16 HG23 THR 16 -4.501 4.932 15.368 120 H GLN 17 H GLN 17 -8.374 6.379 16.651 121 HA GLN 17 HA GLN 17 -11.143 5.778 16.770 122 HB2 GLN 17 HB2 GLN 17 -11.483 8.200 16.272 123 HB3 GLN 17 HB3 GLN 17 -10.440 7.944 17.651 124 HG2 GLN 17 HG2 GLN 17 -8.491 8.360 16.177 125 HG3 GLN 17 HG3 GLN 17 -9.614 8.720 14.863 126 HE21 GLN 17 HE21 GLN 17 -10.875 10.574 14.996 127 HE22 GLN 17 HE22 GLN 17 -10.458 11.868 16.049 128 H ARG 18 H ARG 18 -12.086 4.757 15.227 129 HA ARG 18 HA ARG 18 -11.250 5.393 12.544 130 HE ARG 18 HE ARG 18 -9.440 5.839 12.111 131 HB2 ARG 18 HB2 ARG 18 -11.476 2.768 13.859 132 HB3 ARG 18 HB3 ARG 18 -11.568 2.973 12.078 133 HG2 ARG 18 HG2 ARG 18 -9.323 3.975 13.775 134 HG3 ARG 18 HG3 ARG 18 -9.375 2.329 13.139 135 HD2 ARG 18 HD2 ARG 18 -8.066 3.833 11.686 136 HD3 ARG 18 HD3 ARG 18 -9.488 3.200 10.863 137 HH11 ARG 18 HH11 ARG 18 -10.056 3.761 9.300 138 HH12 ARG 18 HH12 ARG 18 -10.608 4.977 8.269 139 HH21 ARG 18 HH21 ARG 18 -10.223 7.599 10.695 140 HH22 ARG 18 HH22 ARG 18 -10.705 7.266 9.099 141 H LEU 19 H LEU 19 -12.573 5.094 10.921 142 HA LEU 19 HA LEU 19 -15.387 5.040 11.570 143 HG LEU 19 HG LEU 19 -12.632 6.232 9.320 144 HB2 LEU 19 HB2 LEU 19 -15.636 6.101 9.301 145 HB3 LEU 19 HB3 LEU 19 -14.764 7.074 10.458 146 HD11 LEU 19 HD11 LEU 19 -13.500 4.376 8.073 147 HD12 LEU 19 HD12 LEU 19 -12.777 5.570 6.999 148 HD13 LEU 19 HD13 LEU 19 -14.533 5.455 7.128 149 HD21 LEU 19 HD21 LEU 19 -14.524 8.029 7.822 150 HD22 LEU 19 HD22 LEU 19 -12.787 7.877 7.532 151 HD23 LEU 19 HD23 LEU 19 -13.356 8.480 9.081 152 HA PRO 20 HA PRO 20 -15.531 1.071 9.728 153 HB2 PRO 20 HB2 PRO 20 -18.091 0.933 8.918 154 HB3 PRO 20 HB3 PRO 20 -17.640 0.895 10.626 155 HG2 PRO 20 HG2 PRO 20 -18.651 3.177 8.983 156 HG3 PRO 20 HG3 PRO 20 -19.090 2.716 10.639 157 HD2 PRO 20 HD2 PRO 20 -17.324 4.711 10.058 158 HD3 PRO 20 HD3 PRO 20 -17.238 3.719 11.537 159 H VAL 21 H VAL 21 -15.228 0.127 7.863 160 HA VAL 21 HA VAL 21 -16.022 1.473 5.413 161 HB VAL 21 HB VAL 21 -13.599 1.913 5.753 162 HG11 VAL 21 HG11 VAL 21 -12.969 0.000 7.070 163 HG12 VAL 21 HG12 VAL 21 -11.941 0.114 5.641 164 HG13 VAL 21 HG13 VAL 21 -13.248 -1.070 5.697 165 HG21 VAL 21 HG21 VAL 21 -12.770 1.105 3.573 166 HG22 VAL 21 HG22 VAL 21 -14.404 1.763 3.469 167 HG23 VAL 21 HG23 VAL 21 -14.153 0.016 3.474 168 H SER 22 H SER 22 -16.740 0.106 3.811 169 HA SER 22 HA SER 22 -17.917 -2.262 4.645 170 HG SER 22 HG SER 22 -17.550 0.019 1.739 171 HB2 SER 22 HB2 SER 22 -18.364 -2.573 2.162 172 HB3 SER 22 HB3 SER 22 -18.928 -1.062 2.877 173 H ARG 23 H ARG 23 -15.221 -1.951 2.327 174 HA ARG 23 HA ARG 23 -14.532 -4.665 3.082 175 HE ARG 23 HE ARG 23 -15.565 -3.554 -1.357 176 HB2 ARG 23 HB2 ARG 23 -14.272 -3.382 0.386 177 HB3 ARG 23 HB3 ARG 23 -13.547 -4.929 0.817 178 HG2 ARG 23 HG2 ARG 23 -15.800 -5.763 1.421 179 HG3 ARG 23 HG3 ARG 23 -16.472 -4.245 0.833 180 HD2 ARG 23 HD2 ARG 23 -14.830 -6.161 -0.726 181 HD3 ARG 23 HD3 ARG 23 -16.598 -6.090 -0.788 182 HH11 ARG 23 HH11 ARG 23 -15.756 -6.759 -2.878 183 HH12 ARG 23 HH12 ARG 23 -15.631 -6.145 -4.460 184 HH21 ARG 23 HH21 ARG 23 -15.388 -2.755 -3.591 185 HH22 ARG 23 HH22 ARG 23 -15.426 -3.892 -4.863 186 H ILE 24 H ILE 24 -12.188 -5.164 2.494 187 HA ILE 24 HA ILE 24 -10.668 -3.314 4.135 188 HB ILE 24 HB ILE 24 -9.967 -6.087 3.132 189 HG12 ILE 24 HG12 ILE 24 -11.874 -6.218 4.636 190 HG13 ILE 24 HG13 ILE 24 -10.442 -6.841 5.447 191 HG21 ILE 24 HG21 ILE 24 -8.201 -6.061 4.846 192 HG22 ILE 24 HG22 ILE 24 -8.610 -4.390 5.226 193 HG23 ILE 24 HG23 ILE 24 -7.974 -4.798 3.635 194 HD11 ILE 24 HD11 ILE 24 -11.695 -4.135 5.847 195 HD12 ILE 24 HD12 ILE 24 -10.232 -4.711 6.644 196 HD13 ILE 24 HD13 ILE 24 -11.774 -5.506 6.952 197 H LYS 25 H LYS 25 -9.262 -1.977 3.249 198 HA LYS 25 HA LYS 25 -8.676 -2.286 0.416 199 HB2 LYS 25 HB2 LYS 25 -7.774 -0.078 2.270 200 HB3 LYS 25 HB3 LYS 25 -7.557 -0.140 0.541 201 HG2 LYS 25 HG2 LYS 25 -10.140 0.207 2.043 202 HG3 LYS 25 HG3 LYS 25 -9.318 1.386 1.028 203 HD2 LYS 25 HD2 LYS 25 -9.616 -0.423 -0.823 204 HD3 LYS 25 HD3 LYS 25 -10.859 -1.046 0.270 205 HE2 LYS 25 HE2 LYS 25 -10.741 1.687 -1.018 206 HE3 LYS 25 HE3 LYS 25 -11.933 0.426 -1.293 207 HZ1 LYS 25 HZ1 LYS 25 -12.885 2.060 0.069 208 HZ2 LYS 25 HZ2 LYS 25 -11.560 2.095 1.119 209 HZ3 LYS 25 HZ3 LYS 25 -12.602 0.735 1.074 210 H THR 26 H THR 26 -6.648 -2.590 -0.409 211 HA THR 26 HA THR 26 -4.473 -3.240 1.488 212 HB THR 26 HB THR 26 -5.092 -4.423 -1.233 213 HG1 THR 26 HG1 THR 26 -5.938 -4.989 1.282 214 HG21 THR 26 HG21 THR 26 -2.690 -4.413 -0.651 215 HG22 THR 26 HG22 THR 26 -3.341 -6.053 -0.647 216 HG23 THR 26 HG23 THR 26 -3.066 -5.213 0.878 217 H TYR 27 H TYR 27 -2.819 -1.968 1.276 218 HA TYR 27 HA TYR 27 -2.399 -0.642 -1.272 219 HD1 TYR 27 HD1 TYR 27 -4.697 0.614 1.513 220 HD2 TYR 27 HD2 TYR 27 -2.493 2.281 -1.691 221 HE1 TYR 27 HE1 TYR 27 -6.736 1.737 0.717 222 HE2 TYR 27 HE2 TYR 27 -4.496 3.410 -2.517 223 HH TYR 27 HH TYR 27 -7.424 3.579 -0.658 224 HB2 TYR 27 HB2 TYR 27 -2.269 0.569 1.465 225 HB3 TYR 27 HB3 TYR 27 -1.377 1.260 0.106 226 H THR 28 H THR 28 -0.511 -0.758 -2.109 227 HA THR 28 HA THR 28 1.483 -2.162 -0.504 228 HB THR 28 HB THR 28 2.323 -3.092 -2.674 229 HG1 THR 28 HG1 THR 28 1.314 -1.330 -3.907 230 HG21 THR 28 HG21 THR 28 0.445 -4.658 -3.041 231 HG22 THR 28 HG22 THR 28 -0.608 -3.608 -2.101 232 HG23 THR 28 HG23 THR 28 0.747 -4.427 -1.322 233 H ILE 29 H ILE 29 3.394 -1.256 -0.228 234 HA ILE 29 HA ILE 29 4.264 0.845 -2.068 235 HB ILE 29 HB ILE 29 4.474 0.774 0.948 236 HG12 ILE 29 HG12 ILE 29 3.278 2.792 -0.954 237 HG13 ILE 29 HG13 ILE 29 2.377 1.610 -0.015 238 HG21 ILE 29 HG21 ILE 29 5.866 2.728 -0.910 239 HG22 ILE 29 HG22 ILE 29 6.653 1.484 0.057 240 HG23 ILE 29 HG23 ILE 29 5.847 2.817 0.854 241 HD11 ILE 29 HD11 ILE 29 2.264 3.791 0.982 242 HD12 ILE 29 HD12 ILE 29 4.035 3.852 1.071 243 HD13 ILE 29 HD13 ILE 29 3.147 2.643 1.996 244 H THR 30 H THR 30 6.164 0.478 -2.964 245 HA THR 30 HA THR 30 7.751 -1.693 -1.886 246 HB THR 30 HB THR 30 7.037 -2.030 -4.219 247 HG1 THR 30 HG1 THR 30 9.301 -2.000 -5.149 248 HG21 THR 30 HG21 THR 30 8.520 0.538 -4.835 249 HG22 THR 30 HG22 THR 30 6.772 0.312 -4.912 250 HG23 THR 30 HG23 THR 30 7.823 -0.559 -6.026 251 H GLU 31 H GLU 31 9.733 -1.313 -1.171 252 HA GLU 31 HA GLU 31 10.980 1.249 -1.733 253 HB2 GLU 31 HB2 GLU 31 9.735 1.587 0.353 254 HB3 GLU 31 HB3 GLU 31 10.508 0.181 1.058 255 HG2 GLU 31 HG2 GLU 31 11.431 2.319 1.821 256 HG3 GLU 31 HG3 GLU 31 12.629 1.282 1.086 257 H GLY 32 H GLY 32 12.594 0.405 -2.861 258 HA2 GLY 32 HA2 GLY 32 14.649 -0.557 -3.252 259 HA3 GLY 32 HA3 GLY 32 14.756 -0.871 -1.521 260 H SER 33 H SER 33 13.889 -2.747 -0.702 261 HA SER 33 HA SER 33 12.992 -4.764 -2.577 262 HG SER 33 HG SER 33 16.365 -5.054 -0.593 263 HB2 SER 33 HB2 SER 33 14.436 -6.455 -1.398 264 HB3 SER 33 HB3 SER 33 15.319 -5.260 -2.347 265 H LEU 34 H LEU 34 11.972 -2.984 -0.302 266 HA LEU 34 HA LEU 34 10.914 -5.031 1.438 267 HG LEU 34 HG LEU 34 9.223 -2.615 2.573 268 HB2 LEU 34 HB2 LEU 34 12.034 -3.502 2.630 269 HB3 LEU 34 HB3 LEU 34 11.486 -2.115 1.688 270 HD11 LEU 34 HD11 LEU 34 9.070 -3.818 4.754 271 HD12 LEU 34 HD12 LEU 34 10.750 -4.314 4.548 272 HD13 LEU 34 HD13 LEU 34 9.524 -4.862 3.406 273 HD21 LEU 34 HD21 LEU 34 10.453 -0.703 3.360 274 HD22 LEU 34 HD22 LEU 34 11.332 -1.701 4.517 275 HD23 LEU 34 HD23 LEU 34 9.603 -1.421 4.721 276 H ARG 35 H ARG 35 8.867 -5.464 1.323 277 HA ARG 35 HA ARG 35 7.090 -3.644 -0.144 278 HE ARG 35 HE ARG 35 7.972 -5.677 -3.963 279 HB2 ARG 35 HB2 ARG 35 6.866 -6.578 0.460 280 HB3 ARG 35 HB3 ARG 35 5.542 -5.630 -0.202 281 HG2 ARG 35 HG2 ARG 35 8.223 -6.070 -1.499 282 HG3 ARG 35 HG3 ARG 35 6.721 -6.903 -1.905 283 HD2 ARG 35 HD2 ARG 35 5.715 -4.674 -2.421 284 HD3 ARG 35 HD3 ARG 35 7.299 -3.970 -2.170 285 HH11 ARG 35 HH11 ARG 35 4.848 -4.015 -3.916 286 HH12 ARG 35 HH12 ARG 35 4.769 -3.789 -5.605 287 HH21 ARG 35 HH21 ARG 35 7.846 -5.404 -6.307 288 HH22 ARG 35 HH22 ARG 35 6.520 -4.602 -6.978 289 H ALA 36 H ALA 36 5.959 -2.362 1.102 290 HA ALA 36 HA ALA 36 5.130 -3.318 3.738 291 HB1 ALA 36 HB1 ALA 36 4.719 -0.944 4.232 292 HB2 ALA 36 HB2 ALA 36 5.218 -0.520 2.594 293 HB3 ALA 36 HB3 ALA 36 6.385 -1.208 3.720 294 H VAL 37 H VAL 37 3.103 -4.002 3.882 295 HA VAL 37 HA VAL 37 1.182 -2.973 1.921 296 HB VAL 37 HB VAL 37 1.197 -5.729 3.200 297 HG11 VAL 37 HG11 VAL 37 -0.779 -6.176 1.801 298 HG12 VAL 37 HG12 VAL 37 -0.775 -4.494 1.265 299 HG13 VAL 37 HG13 VAL 37 -1.094 -4.880 2.955 300 HG21 VAL 37 HG21 VAL 37 1.394 -6.470 0.853 301 HG22 VAL 37 HG22 VAL 37 2.794 -5.501 1.380 302 HG23 VAL 37 HG23 VAL 37 1.515 -4.773 0.401 303 H ILE 38 H ILE 38 -0.453 -1.929 2.606 304 HA ILE 38 HA ILE 38 -1.042 -1.806 5.452 305 HB ILE 38 HB ILE 38 -1.388 0.044 3.122 306 HG12 ILE 38 HG12 ILE 38 0.034 0.414 5.740 307 HG13 ILE 38 HG13 ILE 38 0.795 -0.030 4.214 308 HG21 ILE 38 HG21 ILE 38 -3.428 0.200 4.401 309 HG22 ILE 38 HG22 ILE 38 -2.451 1.654 4.547 310 HG23 ILE 38 HG23 ILE 38 -2.498 0.490 5.879 311 HD11 ILE 38 HD11 ILE 38 -0.791 2.485 4.594 312 HD12 ILE 38 HD12 ILE 38 0.221 1.981 3.241 313 HD13 ILE 38 HD13 ILE 38 0.960 2.389 4.819 314 H PHE 39 H PHE 39 -2.860 -2.842 6.061 315 HA PHE 39 HA PHE 39 -5.017 -3.129 4.113 316 HD1 PHE 39 HD1 PHE 39 -5.773 -5.956 3.507 317 HD2 PHE 39 HD2 PHE 39 -2.360 -5.628 6.023 318 HE1 PHE 39 HE1 PHE 39 -4.651 -7.708 2.201 319 HE2 PHE 39 HE2 PHE 39 -1.228 -7.382 4.720 320 HZ PHE 39 HZ PHE 39 -2.373 -8.424 2.808 321 HB2 PHE 39 HB2 PHE 39 -4.436 -4.676 6.654 322 HB3 PHE 39 HB3 PHE 39 -5.897 -4.871 5.698 323 H ILE 40 H ILE 40 -6.562 -1.800 4.344 324 HA ILE 40 HA ILE 40 -6.773 -0.203 6.771 325 HB ILE 40 HB ILE 40 -8.347 -0.002 4.199 326 HG12 ILE 40 HG12 ILE 40 -6.007 0.583 3.666 327 HG13 ILE 40 HG13 ILE 40 -6.958 2.046 3.819 328 HG21 ILE 40 HG21 ILE 40 -9.591 0.935 6.034 329 HG22 ILE 40 HG22 ILE 40 -9.005 2.235 4.996 330 HG23 ILE 40 HG23 ILE 40 -8.199 1.897 6.528 331 HD11 ILE 40 HD11 ILE 40 -6.110 2.528 5.892 332 HD12 ILE 40 HD12 ILE 40 -4.781 2.220 4.780 333 HD13 ILE 40 HD13 ILE 40 -5.207 0.987 5.966 334 H THR 41 H THR 41 -8.066 -0.773 8.340 335 HA THR 41 HA THR 41 -10.352 -2.500 7.700 336 HB THR 41 HB THR 41 -10.084 -3.530 9.918 337 HG1 THR 41 HG1 THR 41 -7.800 -1.834 10.088 338 HG21 THR 41 HG21 THR 41 -7.491 -3.537 8.356 339 HG22 THR 41 HG22 THR 41 -8.869 -4.592 8.054 340 HG23 THR 41 HG23 THR 41 -7.963 -4.737 9.558 341 H LYS 42 H LYS 42 -12.107 -2.291 9.308 342 HA LYS 42 HA LYS 42 -12.839 0.394 9.796 343 HB2 LYS 42 HB2 LYS 42 -14.864 -0.470 10.772 344 HB3 LYS 42 HB3 LYS 42 -14.478 -1.473 9.384 345 HG2 LYS 42 HG2 LYS 42 -14.008 -2.170 12.290 346 HG3 LYS 42 HG3 LYS 42 -15.324 -2.773 11.292 347 HD2 LYS 42 HD2 LYS 42 -13.729 -3.963 9.889 348 HD3 LYS 42 HD3 LYS 42 -12.382 -3.267 10.796 349 HE2 LYS 42 HE2 LYS 42 -12.776 -5.518 11.517 350 HE3 LYS 42 HE3 LYS 42 -13.168 -4.366 12.786 351 HZ1 LYS 42 HZ1 LYS 42 -15.176 -5.658 11.002 352 HZ2 LYS 42 HZ2 LYS 42 -15.528 -4.626 12.290 353 HZ3 LYS 42 HZ3 LYS 42 -14.867 -6.148 12.573 354 H ARG 43 H ARG 43 -10.970 -1.802 11.599 355 HA ARG 43 HA ARG 43 -11.513 -0.447 14.131 356 HE ARG 43 HE ARG 43 -8.306 -3.300 15.716 357 HB2 ARG 43 HB2 ARG 43 -10.142 -2.195 15.199 358 HB3 ARG 43 HB3 ARG 43 -11.426 -2.891 14.231 359 HG2 ARG 43 HG2 ARG 43 -9.868 -3.451 12.478 360 HG3 ARG 43 HG3 ARG 43 -8.567 -2.627 13.331 361 HD2 ARG 43 HD2 ARG 43 -10.074 -5.036 14.358 362 HD3 ARG 43 HD3 ARG 43 -8.485 -5.081 13.602 363 HH11 ARG 43 HH11 ARG 43 -9.014 -6.778 15.366 364 HH12 ARG 43 HH12 ARG 43 -8.301 -7.163 16.864 365 HH21 ARG 43 HH21 ARG 43 -7.364 -3.887 17.714 366 HH22 ARG 43 HH22 ARG 43 -7.357 -5.515 18.233 367 H GLY 44 H GLY 44 -9.194 -0.589 11.612 368 HA2 GLY 44 HA2 GLY 44 -7.882 1.720 12.215 369 HA3 GLY 44 HA3 GLY 44 -7.104 0.546 13.260 370 H LEU 45 H LEU 45 -5.220 0.413 12.463 371 HA LEU 45 HA LEU 45 -4.871 0.181 9.563 372 HG LEU 45 HG LEU 45 -1.684 0.460 9.869 373 HB2 LEU 45 HB2 LEU 45 -4.001 2.251 10.561 374 HB3 LEU 45 HB3 LEU 45 -3.075 1.307 11.701 375 HD11 LEU 45 HD11 LEU 45 -3.299 0.562 8.072 376 HD12 LEU 45 HD12 LEU 45 -1.852 1.485 7.653 377 HD13 LEU 45 HD13 LEU 45 -3.321 2.321 8.160 378 HD21 LEU 45 HD21 LEU 45 -1.897 3.471 9.992 379 HD22 LEU 45 HD22 LEU 45 -0.513 2.566 9.399 380 HD23 LEU 45 HD23 LEU 45 -0.954 2.458 11.090 381 H LYS 46 H LYS 46 -4.185 -1.746 8.952 382 HA LYS 46 HA LYS 46 -2.706 -3.444 10.840 383 HB2 LYS 46 HB2 LYS 46 -5.051 -4.121 10.101 384 HB3 LYS 46 HB3 LYS 46 -4.445 -4.197 8.471 385 HG2 LYS 46 HG2 LYS 46 -3.655 -6.000 10.787 386 HG3 LYS 46 HG3 LYS 46 -4.691 -6.398 9.415 387 HD2 LYS 46 HD2 LYS 46 -2.688 -6.039 7.964 388 HD3 LYS 46 HD3 LYS 46 -1.728 -5.889 9.439 389 HE2 LYS 46 HE2 LYS 46 -3.340 -8.281 8.558 390 HE3 LYS 46 HE3 LYS 46 -1.587 -8.161 8.639 391 HZ1 LYS 46 HZ1 LYS 46 -3.470 -8.128 10.941 392 HZ2 LYS 46 HZ2 LYS 46 -1.800 -7.950 11.103 393 HZ3 LYS 46 HZ3 LYS 46 -2.448 -9.367 10.512 394 H VAL 47 H VAL 47 -0.648 -3.662 10.155 395 HA VAL 47 HA VAL 47 -0.103 -3.127 7.320 396 HB VAL 47 HB VAL 47 0.578 -1.268 8.828 397 HG11 VAL 47 HG11 VAL 47 2.586 -1.544 10.235 398 HG12 VAL 47 HG12 VAL 47 2.489 -3.284 9.965 399 HG13 VAL 47 HG13 VAL 47 1.185 -2.454 10.805 400 HG21 VAL 47 HG21 VAL 47 1.681 -1.531 6.686 401 HG22 VAL 47 HG22 VAL 47 2.823 -2.675 7.391 402 HG23 VAL 47 HG23 VAL 47 2.844 -0.981 7.893 403 H CYS 48 H CYS 48 1.295 -4.438 6.318 404 HA CYS 48 HA CYS 48 2.608 -6.511 7.911 405 HB2 CYS 48 HB2 CYS 48 1.171 -6.810 5.290 406 HB3 CYS 48 HB3 CYS 48 2.395 -7.962 5.814 407 H ALA 49 H ALA 49 4.635 -6.990 7.455 408 HA ALA 49 HA ALA 49 5.885 -5.348 5.365 409 HB1 ALA 49 HB1 ALA 49 7.097 -6.473 7.873 410 HB2 ALA 49 HB2 ALA 49 6.607 -4.803 7.598 411 HB3 ALA 49 HB3 ALA 49 7.939 -5.495 6.668 412 H ASP 50 H ASP 50 6.654 -6.486 3.736 413 HA ASP 50 HA ASP 50 7.612 -9.248 4.075 414 HB2 ASP 50 HB2 ASP 50 5.537 -9.231 2.755 415 HB3 ASP 50 HB3 ASP 50 6.201 -8.023 1.673 416 HA PRO 51 HA PRO 51 11.135 -6.836 2.410 417 HB2 PRO 51 HB2 PRO 51 12.869 -7.619 4.330 418 HB3 PRO 51 HB3 PRO 51 11.773 -6.248 4.499 419 HG2 PRO 51 HG2 PRO 51 11.747 -8.738 5.965 420 HG3 PRO 51 HG3 PRO 51 10.691 -7.328 6.157 421 HD2 PRO 51 HD2 PRO 51 10.200 -9.854 4.703 422 HD3 PRO 51 HD3 PRO 51 9.050 -8.672 5.376 423 H GLN 52 H GLN 52 12.249 -7.513 0.870 424 HA GLN 52 HA GLN 52 13.676 -8.641 -0.482 425 HB2 GLN 52 HB2 GLN 52 14.689 -9.829 2.072 426 HB3 GLN 52 HB3 GLN 52 15.576 -9.606 0.570 427 HG2 GLN 52 HG2 GLN 52 15.360 -7.182 0.824 428 HG3 GLN 52 HG3 GLN 52 14.501 -7.423 2.330 429 HE21 GLN 52 HE21 GLN 52 16.009 -6.482 3.622 430 HE22 GLN 52 HE22 GLN 52 17.585 -7.156 3.919 431 H ALA 53 H ALA 53 11.142 -10.155 0.348 432 HA ALA 53 HA ALA 53 11.743 -12.914 0.575 433 HB1 ALA 53 HB1 ALA 53 9.513 -11.980 1.096 434 HB2 ALA 53 HB2 ALA 53 9.437 -13.285 -0.102 435 HB3 ALA 53 HB3 ALA 53 9.319 -11.612 -0.627 436 H THR 54 H THR 54 10.501 -11.098 -2.153 437 HA THR 54 HA THR 54 11.725 -12.994 -3.974 438 HB THR 54 HB THR 54 10.169 -11.932 -5.618 439 HG1 THR 54 HG1 THR 54 8.719 -10.438 -4.933 440 HG21 THR 54 HG21 THR 54 8.812 -12.975 -3.122 441 HG22 THR 54 HG22 THR 54 9.477 -13.974 -4.413 442 HG23 THR 54 HG23 THR 54 8.102 -12.923 -4.735 443 H TRP 55 H TRP 55 12.410 -11.745 -6.017 444 HA TRP 55 HA TRP 55 14.087 -9.586 -5.157 445 HD1 TRP 55 HD1 TRP 55 14.668 -13.268 -7.007 446 HE1 TRP 55 HE1 TRP 55 16.931 -14.065 -6.055 447 HE3 TRP 55 HE3 TRP 55 16.821 -8.721 -6.067 448 HZ2 TRP 55 HZ2 TRP 55 19.304 -12.921 -5.042 449 HZ3 TRP 55 HZ3 TRP 55 19.083 -8.664 -5.104 450 HH2 TRP 55 HH2 TRP 55 20.296 -10.721 -4.605 451 HB2 TRP 55 HB2 TRP 55 13.798 -10.899 -7.862 452 HB3 TRP 55 HB3 TRP 55 14.835 -9.510 -7.566 453 H VAL 56 H VAL 56 13.530 -7.624 -5.079 454 HA VAL 56 HA VAL 56 11.091 -6.760 -6.460 455 HB VAL 56 HB VAL 56 12.477 -5.583 -4.083 456 HG11 VAL 56 HG11 VAL 56 9.692 -5.106 -5.139 457 HG12 VAL 56 HG12 VAL 56 11.048 -3.981 -5.194 458 HG13 VAL 56 HG13 VAL 56 10.328 -4.421 -3.645 459 HG21 VAL 56 HG21 VAL 56 10.143 -7.482 -4.075 460 HG22 VAL 56 HG22 VAL 56 10.709 -6.600 -2.658 461 HG23 VAL 56 HG23 VAL 56 11.758 -7.781 -3.442 462 H ARG 57 H ARG 57 11.147 -4.652 -7.390 463 HA ARG 57 HA ARG 57 13.745 -3.856 -8.384 464 HE ARG 57 HE ARG 57 11.570 -5.688 -12.257 465 HB2 ARG 57 HB2 ARG 57 10.962 -2.828 -8.966 466 HB3 ARG 57 HB3 ARG 57 12.421 -2.285 -9.785 467 HG2 ARG 57 HG2 ARG 57 12.809 -4.508 -10.625 468 HG3 ARG 57 HG3 ARG 57 11.388 -5.094 -9.762 469 HD2 ARG 57 HD2 ARG 57 9.968 -3.628 -11.122 470 HD3 ARG 57 HD3 ARG 57 11.401 -3.041 -11.969 471 HH11 ARG 57 HH11 ARG 57 8.931 -3.431 -13.001 472 HH12 ARG 57 HH12 ARG 57 8.352 -4.322 -14.322 473 HH21 ARG 57 HH21 ARG 57 10.754 -6.927 -14.082 474 HH22 ARG 57 HH22 ARG 57 9.419 -6.363 -14.948 475 H ASP 58 H ASP 58 14.638 -1.837 -8.053 476 HA ASP 58 HA ASP 58 14.079 -0.743 -5.441 477 HB2 ASP 58 HB2 ASP 58 16.431 -1.154 -6.281 478 HB3 ASP 58 HB3 ASP 58 16.178 0.118 -7.457 479 H VAL 59 H VAL 59 11.944 -0.259 -6.559 480 HA VAL 59 HA VAL 59 10.324 1.245 -6.997 481 HB VAL 59 HB VAL 59 12.399 3.357 -6.322 482 HG11 VAL 59 HG11 VAL 59 9.387 3.552 -6.417 483 HG12 VAL 59 HG12 VAL 59 10.504 4.301 -7.554 484 HG13 VAL 59 HG13 VAL 59 10.480 4.824 -5.869 485 HG21 VAL 59 HG21 VAL 59 11.346 3.341 -4.089 486 HG22 VAL 59 HG22 VAL 59 12.053 1.780 -4.499 487 HG23 VAL 59 HG23 VAL 59 10.310 2.013 -4.601 488 H VAL 60 H VAL 60 9.545 1.376 -8.928 489 HA VAL 60 HA VAL 60 10.828 3.039 -10.923 490 HB VAL 60 HB VAL 60 11.726 0.820 -11.437 491 HG11 VAL 60 HG11 VAL 60 8.860 -0.075 -11.589 492 HG12 VAL 60 HG12 VAL 60 10.042 -0.558 -10.377 493 HG13 VAL 60 HG13 VAL 60 10.255 -1.042 -12.064 494 HG21 VAL 60 HG21 VAL 60 9.567 1.625 -13.382 495 HG22 VAL 60 HG22 VAL 60 10.938 0.579 -13.749 496 HG23 VAL 60 HG23 VAL 60 11.206 2.270 -13.320 497 HA VAL 1 HA VAL 1 4.873 1.986 20.679 498 HB VAL 1 HB VAL 1 2.640 1.910 21.749 499 H1 VAL 1 H1 VAL 1 6.067 -0.176 21.921 500 HG11 VAL 1 HG11 VAL 1 1.591 0.284 20.245 501 HG12 VAL 1 HG12 VAL 1 3.172 -0.428 19.924 502 HG13 VAL 1 HG13 VAL 1 2.835 1.232 19.432 503 HG21 VAL 1 HG21 VAL 1 1.754 -0.208 22.644 504 HG22 VAL 1 HG22 VAL 1 3.131 0.367 23.584 505 HG23 VAL 1 HG23 VAL 1 3.339 -0.955 22.434 506 H GLY 2 H GLY 2 3.995 3.495 22.509 507 HA2 GLY 2 HA2 GLY 2 6.041 3.494 24.552 508 HA3 GLY 2 HA3 GLY 2 4.871 4.765 24.227 509 H SER 3 H SER 3 4.248 1.377 24.828 510 HA SER 3 HA SER 3 3.046 0.231 26.364 511 HG SER 3 HG SER 3 2.355 1.268 29.339 512 HB2 SER 3 HB2 SER 3 4.771 1.202 27.930 513 HB3 SER 3 HB3 SER 3 3.683 2.549 28.236 514 H GLU 4 H GLU 4 1.905 2.538 24.712 515 HA GLU 4 HA GLU 4 -0.727 2.612 25.943 516 HB2 GLU 4 HB2 GLU 4 0.330 4.681 26.676 517 HB3 GLU 4 HB3 GLU 4 0.852 5.028 25.036 518 HG2 GLU 4 HG2 GLU 4 -1.544 5.210 24.372 519 HG3 GLU 4 HG3 GLU 4 -1.988 4.996 26.060 520 H VAL 5 H VAL 5 -2.298 2.564 24.414 521 HA VAL 5 HA VAL 5 -1.527 3.026 21.647 522 HB VAL 5 HB VAL 5 -3.424 1.552 20.961 523 HG11 VAL 5 HG11 VAL 5 -2.404 -0.611 21.542 524 HG12 VAL 5 HG12 VAL 5 -1.428 0.194 22.770 525 HG13 VAL 5 HG13 VAL 5 -1.204 0.589 21.065 526 HG21 VAL 5 HG21 VAL 5 -4.831 1.758 22.957 527 HG22 VAL 5 HG22 VAL 5 -3.626 0.885 23.902 528 HG23 VAL 5 HG23 VAL 5 -4.497 0.064 22.608 529 H SER 6 H SER 6 -2.764 4.518 20.558 530 HA SER 6 HA SER 6 -4.736 5.845 22.269 531 HG SER 6 HG SER 6 -3.566 8.851 22.305 532 HB2 SER 6 HB2 SER 6 -2.618 7.039 22.423 533 HB3 SER 6 HB3 SER 6 -2.555 7.178 20.669 534 H ASP 7 H ASP 7 -6.480 6.612 21.311 535 HA ASP 7 HA ASP 7 -7.249 5.750 18.743 536 HB2 ASP 7 HB2 ASP 7 -8.436 7.974 20.419 537 HB3 ASP 7 HB3 ASP 7 -9.152 7.315 18.961 538 H LYS 8 H LYS 8 -5.737 8.603 19.938 539 HA LYS 8 HA LYS 8 -6.143 10.415 17.789 540 HB2 LYS 8 HB2 LYS 8 -3.773 10.215 19.637 541 HB3 LYS 8 HB3 LYS 8 -4.275 11.628 18.717 542 HG2 LYS 8 HG2 LYS 8 -6.318 11.764 20.041 543 HG3 LYS 8 HG3 LYS 8 -5.819 10.335 20.950 544 HD2 LYS 8 HD2 LYS 8 -3.812 11.545 21.686 545 HD3 LYS 8 HD3 LYS 8 -4.388 12.984 20.839 546 HE2 LYS 8 HE2 LYS 8 -6.432 12.927 22.226 547 HE3 LYS 8 HE3 LYS 8 -5.773 11.546 23.091 548 HZ1 LYS 8 HZ1 LYS 8 -4.620 14.287 23.044 549 HZ2 LYS 8 HZ2 LYS 8 -3.915 12.953 23.819 550 HZ3 LYS 8 HZ3 LYS 8 -5.401 13.533 24.337 551 H ARG 9 H ARG 9 -3.127 8.699 18.510 552 HA ARG 9 HA ARG 9 -2.926 7.800 15.756 553 HE ARG 9 HE ARG 9 -1.696 12.628 13.969 554 HB2 ARG 9 HB2 ARG 9 -0.646 9.399 16.910 555 HB3 ARG 9 HB3 ARG 9 -0.840 8.668 15.328 556 HG2 ARG 9 HG2 ARG 9 -2.400 10.299 14.637 557 HG3 ARG 9 HG3 ARG 9 -2.495 10.995 16.256 558 HD2 ARG 9 HD2 ARG 9 -0.107 11.541 16.152 559 HD3 ARG 9 HD3 ARG 9 -0.024 10.876 14.528 560 HH11 ARG 9 HH11 ARG 9 0.639 13.060 16.617 561 HH12 ARG 9 HH12 ARG 9 0.735 14.746 16.461 562 HH21 ARG 9 HH21 ARG 9 -1.501 14.949 13.714 563 HH22 ARG 9 HH22 ARG 9 -0.483 15.863 14.713 564 H THR 10 H THR 10 -2.201 5.725 16.033 565 HA THR 10 HA THR 10 -0.255 5.366 18.150 566 HB THR 10 HB THR 10 -2.012 3.272 16.810 567 HG1 THR 10 HG1 THR 10 -3.150 4.639 18.355 568 HG21 THR 10 HG21 THR 10 -1.108 1.749 18.518 569 HG22 THR 10 HG22 THR 10 -0.098 3.074 19.124 570 HG23 THR 10 HG23 THR 10 0.186 2.437 17.510 571 H CYS 11 H CYS 11 1.763 4.524 17.600 572 HA CYS 11 HA CYS 11 2.169 3.802 14.782 573 HB2 CYS 11 HB2 CYS 11 4.229 5.217 16.558 574 HB3 CYS 11 HB3 CYS 11 4.432 4.657 14.938 575 H VAL 12 H VAL 12 3.624 2.090 14.519 576 HA VAL 12 HA VAL 12 4.714 0.840 16.949 577 HB VAL 12 HB VAL 12 3.257 -0.791 14.833 578 HG11 VAL 12 HG11 VAL 12 4.426 -1.595 17.488 579 HG12 VAL 12 HG12 VAL 12 5.062 -2.006 15.898 580 HG13 VAL 12 HG13 VAL 12 3.520 -2.671 16.427 581 HG21 VAL 12 HG21 VAL 12 1.509 -1.218 16.546 582 HG22 VAL 12 HG22 VAL 12 1.619 0.491 16.121 583 HG23 VAL 12 HG23 VAL 12 2.323 -0.093 17.625 584 H SER 13 H SER 13 6.711 -0.150 16.608 585 HA SER 13 HA SER 13 7.746 -0.084 13.874 586 HG SER 13 HG SER 13 9.148 -1.161 16.928 587 HB2 SER 13 HB2 SER 13 9.982 -0.149 14.983 588 HB3 SER 13 HB3 SER 13 9.045 1.260 15.471 589 H LEU 14 H LEU 14 8.058 -2.025 12.914 590 HA LEU 14 HA LEU 14 7.967 -4.300 14.701 591 HG LEU 14 HG LEU 14 6.790 -3.116 11.315 592 HB2 LEU 14 HB2 LEU 14 6.878 -5.618 12.953 593 HB3 LEU 14 HB3 LEU 14 5.921 -4.244 13.447 594 HD11 LEU 14 HD11 LEU 14 7.411 -4.669 9.492 595 HD12 LEU 14 HD12 LEU 14 7.517 -5.968 10.669 596 HD13 LEU 14 HD13 LEU 14 8.602 -4.585 10.783 597 HD21 LEU 14 HD21 LEU 14 5.063 -4.201 9.946 598 HD22 LEU 14 HD22 LEU 14 4.502 -3.867 11.585 599 HD23 LEU 14 HD23 LEU 14 4.967 -5.506 11.127 600 H THR 15 H THR 15 9.229 -6.089 14.337 601 HA THR 15 HA THR 15 11.770 -5.359 13.276 602 HB THR 15 HB THR 15 12.375 -7.616 14.240 603 HG1 THR 15 HG1 THR 15 10.509 -8.702 14.174 604 HG21 THR 15 HG21 THR 15 10.923 -5.714 16.096 605 HG22 THR 15 HG22 THR 15 12.601 -5.554 15.578 606 HG23 THR 15 HG23 THR 15 12.114 -6.919 16.584 607 H THR 16 H THR 16 12.640 -6.133 11.432 608 HA THR 16 HA THR 16 11.745 -8.547 10.165 609 HB THR 16 HB THR 16 11.644 -7.221 7.924 610 HG1 THR 16 HG1 THR 16 11.252 -5.288 9.850 611 HG21 THR 16 HG21 THR 16 9.741 -8.504 8.762 612 HG22 THR 16 HG22 THR 16 9.188 -6.973 8.085 613 HG23 THR 16 HG23 THR 16 9.293 -7.182 9.836 614 H GLN 17 H GLN 17 13.256 -9.264 8.566 615 HA GLN 17 HA GLN 17 15.872 -8.267 9.041 616 HB2 GLN 17 HB2 GLN 17 16.631 -10.083 7.507 617 HB3 GLN 17 HB3 GLN 17 15.617 -10.665 8.808 618 HG2 GLN 17 HG2 GLN 17 13.712 -10.734 7.212 619 HG3 GLN 17 HG3 GLN 17 14.840 -10.269 5.934 620 HE21 GLN 17 HE21 GLN 17 16.384 -11.773 5.251 621 HE22 GLN 17 HE22 GLN 17 16.292 -13.442 5.633 622 H ARG 18 H ARG 18 16.106 -6.331 8.331 623 HA ARG 18 HA ARG 18 15.645 -5.934 5.504 624 HE ARG 18 HE ARG 18 13.292 -3.392 4.130 625 HB2 ARG 18 HB2 ARG 18 15.183 -4.088 7.736 626 HB3 ARG 18 HB3 ARG 18 15.349 -3.503 6.074 627 HG2 ARG 18 HG2 ARG 18 13.436 -5.309 5.710 628 HG3 ARG 18 HG3 ARG 18 13.171 -4.976 7.434 629 HD2 ARG 18 HD2 ARG 18 11.868 -3.463 6.161 630 HD3 ARG 18 HD3 ARG 18 13.219 -2.621 6.967 631 HH11 ARG 18 HH11 ARG 18 13.875 -0.930 6.648 632 HH12 ARG 18 HH12 ARG 18 14.576 0.164 5.575 633 HH21 ARG 18 HH21 ARG 18 14.280 -1.795 2.657 634 HH22 ARG 18 HH22 ARG 18 14.836 -0.334 3.269 635 H LEU 19 H LEU 19 17.054 -4.756 4.389 636 HA LEU 19 HA LEU 19 19.645 -4.333 5.454 637 HG LEU 19 HG LEU 19 17.497 -5.144 2.584 638 HB2 LEU 19 HB2 LEU 19 19.894 -3.350 3.002 639 HB3 LEU 19 HB3 LEU 19 19.866 -5.074 3.292 640 HD11 LEU 19 HD11 LEU 19 17.786 -2.229 1.888 641 HD12 LEU 19 HD12 LEU 19 16.777 -2.916 3.171 642 HD13 LEU 19 HD13 LEU 19 16.424 -3.289 1.494 643 HD21 LEU 19 HD21 LEU 19 19.356 -3.866 0.597 644 HD22 LEU 19 HD22 LEU 19 17.871 -4.739 0.219 645 HD23 LEU 19 HD23 LEU 19 19.213 -5.592 0.971 646 HA PRO 20 HA PRO 20 19.236 -0.209 6.759 647 HB2 PRO 20 HB2 PRO 20 21.491 1.004 5.781 648 HB3 PRO 20 HB3 PRO 20 21.463 -0.051 7.200 649 HG2 PRO 20 HG2 PRO 20 22.226 -0.687 4.388 650 HG3 PRO 20 HG3 PRO 20 22.996 -1.197 5.901 651 HD2 PRO 20 HD2 PRO 20 21.352 -2.789 4.495 652 HD3 PRO 20 HD3 PRO 20 21.422 -2.863 6.280 653 H VAL 21 H VAL 21 18.602 1.743 6.170 654 HA VAL 21 HA VAL 21 18.275 2.234 3.312 655 HB VAL 21 HB VAL 21 16.120 1.696 4.463 656 HG11 VAL 21 HG11 VAL 21 16.587 4.177 6.064 657 HG12 VAL 21 HG12 VAL 21 16.526 2.517 6.659 658 HG13 VAL 21 HG13 VAL 21 15.075 3.273 5.997 659 HG21 VAL 21 HG21 VAL 21 14.803 3.578 3.618 660 HG22 VAL 21 HG22 VAL 21 16.056 3.078 2.484 661 HG23 VAL 21 HG23 VAL 21 16.276 4.529 3.473 662 H SER 22 H SER 22 19.195 4.009 2.573 663 HA SER 22 HA SER 22 21.011 5.457 4.078 664 HG SER 22 HG SER 22 22.108 5.158 1.157 665 HB2 SER 22 HB2 SER 22 19.754 6.224 1.445 666 HB3 SER 22 HB3 SER 22 21.291 6.791 2.092 667 H ARG 23 H ARG 23 17.779 6.402 2.955 668 HA ARG 23 HA ARG 23 17.908 8.665 4.799 669 HE ARG 23 HE ARG 23 17.051 9.190 0.249 670 HB2 ARG 23 HB2 ARG 23 16.585 8.522 2.104 671 HB3 ARG 23 HB3 ARG 23 16.417 9.857 3.238 672 HG2 ARG 23 HG2 ARG 23 18.867 10.184 3.147 673 HG3 ARG 23 HG3 ARG 23 18.946 8.929 1.913 674 HD2 ARG 23 HD2 ARG 23 17.366 11.427 1.796 675 HD3 ARG 23 HD3 ARG 23 18.932 11.189 0.989 676 HH11 ARG 23 HH11 ARG 23 17.882 12.554 -0.479 677 HH12 ARG 23 HH12 ARG 23 17.157 12.519 -2.032 678 HH21 ARG 23 HH21 ARG 23 16.071 9.186 -1.876 679 HH22 ARG 23 HH22 ARG 23 16.129 10.617 -2.817 680 H ILE 24 H ILE 24 15.985 9.065 5.932 681 HA ILE 24 HA ILE 24 14.387 6.712 6.338 682 HB ILE 24 HB ILE 24 14.048 9.487 7.529 683 HG12 ILE 24 HG12 ILE 24 16.214 8.519 8.131 684 HG13 ILE 24 HG13 ILE 24 15.154 8.566 9.532 685 HG21 ILE 24 HG21 ILE 24 12.851 6.845 8.380 686 HG22 ILE 24 HG22 ILE 24 11.981 8.194 7.653 687 HG23 ILE 24 HG23 ILE 24 12.690 8.367 9.259 688 HD11 ILE 24 HD11 ILE 24 15.794 6.139 7.855 689 HD12 ILE 24 HD12 ILE 24 14.700 6.172 9.239 690 HD13 ILE 24 HD13 ILE 24 16.417 6.500 9.462 691 H LYS 25 H LYS 25 12.785 6.224 5.113 692 HA LYS 25 HA LYS 25 11.651 8.273 3.391 693 HB2 LYS 25 HB2 LYS 25 11.111 5.282 3.265 694 HB3 LYS 25 HB3 LYS 25 10.796 6.549 2.078 695 HG2 LYS 25 HG2 LYS 25 13.560 5.796 2.934 696 HG3 LYS 25 HG3 LYS 25 12.736 5.116 1.527 697 HD2 LYS 25 HD2 LYS 25 13.046 8.029 1.992 698 HD3 LYS 25 HD3 LYS 25 14.284 7.120 1.104 699 HE2 LYS 25 HE2 LYS 25 11.349 7.475 0.366 700 HE3 LYS 25 HE3 LYS 25 12.715 8.255 -0.418 701 HZ1 LYS 25 HZ1 LYS 25 13.504 5.996 -1.067 702 HZ2 LYS 25 HZ2 LYS 25 11.990 6.352 -1.717 703 HZ3 LYS 25 HZ3 LYS 25 12.109 5.338 -0.402 704 H THR 26 H THR 26 9.514 8.759 3.322 705 HA THR 26 HA THR 26 7.747 7.660 5.425 706 HB THR 26 HB THR 26 8.088 10.562 4.626 707 HG1 THR 26 HG1 THR 26 9.352 8.981 6.429 708 HG21 THR 26 HG21 THR 26 6.454 9.256 6.818 709 HG22 THR 26 HG22 THR 26 5.802 9.951 5.335 710 HG23 THR 26 HG23 THR 26 6.585 10.988 6.527 711 H TYR 27 H TYR 27 5.989 6.970 4.610 712 HA TYR 27 HA TYR 27 5.134 8.031 2.036 713 HD1 TYR 27 HD1 TYR 27 7.546 5.096 2.798 714 HD2 TYR 27 HD2 TYR 27 5.122 6.390 -0.422 715 HE1 TYR 27 HE1 TYR 27 9.468 4.886 1.295 716 HE2 TYR 27 HE2 TYR 27 6.982 6.212 -1.946 717 HH TYR 27 HH TYR 27 9.955 4.632 -0.966 718 HB2 TYR 27 HB2 TYR 27 5.103 5.172 2.958 719 HB3 TYR 27 HB3 TYR 27 4.144 5.776 1.604 720 H THR 28 H THR 28 3.209 8.627 1.852 721 HA THR 28 HA THR 28 1.499 8.216 4.172 722 HB THR 28 HB THR 28 0.405 10.444 3.501 723 HG1 THR 28 HG1 THR 28 2.864 10.878 2.195 724 HG21 THR 28 HG21 THR 28 3.262 10.404 4.485 725 HG22 THR 28 HG22 THR 28 1.793 10.348 5.451 726 HG23 THR 28 HG23 THR 28 2.205 11.818 4.565 727 H ILE 29 H ILE 29 -0.428 7.361 3.875 728 HA ILE 29 HA ILE 29 -1.605 7.457 1.203 729 HB ILE 29 HB ILE 29 -1.448 5.062 3.043 730 HG12 ILE 29 HG12 ILE 29 -0.596 5.535 0.183 731 HG13 ILE 29 HG13 ILE 29 0.455 5.363 1.581 732 HG21 ILE 29 HG21 ILE 29 -2.923 3.834 1.518 733 HG22 ILE 29 HG22 ILE 29 -3.215 5.311 0.599 734 HG23 ILE 29 HG23 ILE 29 -3.758 5.186 2.273 735 HD11 ILE 29 HD11 ILE 29 0.455 3.359 0.251 736 HD12 ILE 29 HD12 ILE 29 -1.304 3.260 0.381 737 HD13 ILE 29 HD13 ILE 29 -0.322 3.057 1.823 738 H THR 30 H THR 30 -3.673 8.022 1.100 739 HA THR 30 HA THR 30 -5.024 8.455 3.636 740 HB THR 30 HB THR 30 -4.607 10.570 2.475 741 HG1 THR 30 HG1 THR 30 -6.941 11.140 2.083 742 HG21 THR 30 HG21 THR 30 -6.119 9.370 0.144 743 HG22 THR 30 HG22 THR 30 -4.397 9.751 0.169 744 HG23 THR 30 HG23 THR 30 -5.594 11.050 0.260 745 H GLU 31 H GLU 31 -6.888 7.474 3.939 746 HA GLU 31 HA GLU 31 -8.353 6.356 1.694 747 HB2 GLU 31 HB2 GLU 31 -6.865 4.542 2.417 748 HB3 GLU 31 HB3 GLU 31 -7.410 4.722 4.067 749 HG2 GLU 31 HG2 GLU 31 -8.345 2.766 2.873 750 HG3 GLU 31 HG3 GLU 31 -9.563 3.841 3.533 751 H GLY 32 H GLY 32 -10.120 7.526 1.898 752 HA2 GLY 32 HA2 GLY 32 -12.199 8.111 2.723 753 HA3 GLY 32 HA3 GLY 32 -11.871 7.113 4.130 754 H SER 33 H SER 33 -10.485 7.950 5.687 755 HA SER 33 HA SER 33 -9.822 10.745 5.829 756 HG SER 33 HG SER 33 -12.190 10.872 5.465 757 HB2 SER 33 HB2 SER 33 -11.849 9.609 7.803 758 HB3 SER 33 HB3 SER 33 -11.120 11.202 7.892 759 H LEU 34 H LEU 34 -8.465 8.200 5.836 760 HA LEU 34 HA LEU 34 -7.411 8.132 8.526 761 HG LEU 34 HG LEU 34 -5.766 5.619 7.323 762 HB2 LEU 34 HB2 LEU 34 -8.547 6.162 8.151 763 HB3 LEU 34 HB3 LEU 34 -7.989 6.020 6.496 764 HD11 LEU 34 HD11 LEU 34 -5.439 4.938 9.713 765 HD12 LEU 34 HD12 LEU 34 -7.096 5.431 10.045 766 HD13 LEU 34 HD13 LEU 34 -5.898 6.637 9.552 767 HD21 LEU 34 HD21 LEU 34 -7.208 3.808 6.671 768 HD22 LEU 34 HD22 LEU 34 -7.851 3.685 8.302 769 HD23 LEU 34 HD23 LEU 34 -6.159 3.280 7.989 770 H ARG 35 H ARG 35 -5.395 8.800 8.602 771 HA ARG 35 HA ARG 35 -3.777 8.733 6.159 772 HE ARG 35 HE ARG 35 -4.324 13.136 5.416 773 HB2 ARG 35 HB2 ARG 35 -3.407 10.174 8.763 774 HB3 ARG 35 HB3 ARG 35 -2.121 10.063 7.570 775 HG2 ARG 35 HG2 ARG 35 -4.823 11.321 7.146 776 HG3 ARG 35 HG3 ARG 35 -3.315 12.183 7.474 777 HD2 ARG 35 HD2 ARG 35 -2.348 11.126 5.437 778 HD3 ARG 35 HD3 ARG 35 -3.941 10.460 5.087 779 HH11 ARG 35 HH11 ARG 35 -2.339 11.113 3.303 780 HH12 ARG 35 HH12 ARG 35 -2.344 12.235 2.008 781 HH21 ARG 35 HH21 ARG 35 -4.326 14.654 3.609 782 HH22 ARG 35 HH22 ARG 35 -3.484 14.278 2.187 783 H ALA 36 H ALA 36 -2.623 7.032 5.844 784 HA ALA 36 HA ALA 36 -1.467 5.634 8.140 785 HB1 ALA 36 HB1 ALA 36 -2.802 4.246 6.617 786 HB2 ALA 36 HB2 ALA 36 -1.099 3.787 6.552 787 HB3 ALA 36 HB3 ALA 36 -1.799 4.764 5.261 788 H VAL 37 H VAL 37 0.653 5.937 8.523 789 HA VAL 37 HA VAL 37 2.291 6.973 6.332 790 HB VAL 37 HB VAL 37 2.521 7.651 9.282 791 HG11 VAL 37 HG11 VAL 37 4.320 9.161 8.579 792 HG12 VAL 37 HG12 VAL 37 4.154 8.595 6.918 793 HG13 VAL 37 HG13 VAL 37 4.715 7.492 8.174 794 HG21 VAL 37 HG21 VAL 37 0.694 8.813 8.124 795 HG22 VAL 37 HG22 VAL 37 1.891 9.268 6.905 796 HG23 VAL 37 HG23 VAL 37 2.041 9.914 8.543 797 H ILE 38 H ILE 38 4.108 5.980 5.946 798 HA ILE 38 HA ILE 38 4.937 3.806 7.696 799 HB ILE 38 HB ILE 38 4.845 4.133 4.719 800 HG12 ILE 38 HG12 ILE 38 3.828 1.943 6.499 801 HG13 ILE 38 HG13 ILE 38 2.868 3.299 5.918 802 HG21 ILE 38 HG21 ILE 38 6.343 1.996 6.215 803 HG22 ILE 38 HG22 ILE 38 7.038 3.254 5.187 804 HG23 ILE 38 HG23 ILE 38 6.002 2.013 4.482 805 HD11 ILE 38 HD11 ILE 38 3.037 2.684 3.809 806 HD12 ILE 38 HD12 ILE 38 2.598 1.202 4.634 807 HD13 ILE 38 HD13 ILE 38 4.280 1.422 4.055 808 H PHE 39 H PHE 39 6.847 4.172 8.606 809 HA PHE 39 HA PHE 39 8.712 5.980 7.272 810 HD1 PHE 39 HD1 PHE 39 9.362 8.445 8.816 811 HD2 PHE 39 HD2 PHE 39 6.390 6.049 10.690 812 HE1 PHE 39 HE1 PHE 39 8.057 10.466 9.328 813 HE2 PHE 39 HE2 PHE 39 5.083 8.058 11.199 814 HZ PHE 39 HZ PHE 39 5.916 10.275 10.521 815 HB2 PHE 39 HB2 PHE 39 8.526 5.154 10.185 816 HB3 PHE 39 HB3 PHE 39 9.822 6.133 9.516 817 H ILE 40 H ILE 40 10.207 4.995 6.265 818 HA ILE 40 HA ILE 40 10.722 2.192 6.813 819 HB ILE 40 HB ILE 40 11.830 3.976 4.627 820 HG12 ILE 40 HG12 ILE 40 9.385 3.685 4.230 821 HG13 ILE 40 HG13 ILE 40 10.279 2.658 3.146 822 HG21 ILE 40 HG21 ILE 40 12.539 1.894 3.534 823 HG22 ILE 40 HG22 ILE 40 11.972 0.982 4.931 824 HG23 ILE 40 HG23 ILE 40 13.314 2.113 5.105 825 HD11 ILE 40 HD11 ILE 40 9.892 0.778 4.458 826 HD12 ILE 40 HD12 ILE 40 8.379 1.579 4.017 827 HD13 ILE 40 HD13 ILE 40 8.995 1.763 5.654 828 H THR 41 H THR 41 12.211 1.664 8.262 829 HA THR 41 HA THR 41 14.533 3.424 8.545 830 HB THR 41 HB THR 41 14.597 2.757 10.940 831 HG1 THR 41 HG1 THR 41 12.024 1.953 11.112 832 HG21 THR 41 HG21 THR 41 11.976 4.006 10.085 833 HG22 THR 41 HG22 THR 41 13.495 4.865 10.333 834 HG23 THR 41 HG23 THR 41 12.677 4.108 11.700 835 H LYS 42 H LYS 42 16.442 2.308 9.359 836 HA LYS 42 HA LYS 42 17.222 0.094 7.901 837 HB2 LYS 42 HB2 LYS 42 19.224 0.026 9.242 838 HB3 LYS 42 HB3 LYS 42 18.798 1.700 8.968 839 HG2 LYS 42 HG2 LYS 42 18.236 0.168 11.521 840 HG3 LYS 42 HG3 LYS 42 19.612 1.239 11.267 841 HD2 LYS 42 HD2 LYS 42 18.155 3.154 11.098 842 HD3 LYS 42 HD3 LYS 42 16.729 2.115 11.071 843 HE2 LYS 42 HE2 LYS 42 17.034 3.166 13.253 844 HE3 LYS 42 HE3 LYS 42 17.152 1.412 13.325 845 HZ1 LYS 42 HZ1 LYS 42 19.568 1.612 13.452 846 HZ2 LYS 42 HZ2 LYS 42 18.830 2.505 14.672 847 HZ3 LYS 42 HZ3 LYS 42 19.462 3.297 13.339 848 H ARG 43 H ARG 43 15.468 0.120 10.907 849 HA ARG 43 HA ARG 43 16.313 -2.586 11.548 850 HE ARG 43 HE ARG 43 13.256 -1.813 15.381 851 HB2 ARG 43 HB2 ARG 43 15.097 -2.328 13.660 852 HB3 ARG 43 HB3 ARG 43 16.242 -1.026 13.406 853 HG2 ARG 43 HG2 ARG 43 14.368 0.435 12.702 854 HG3 ARG 43 HG3 ARG 43 13.248 -0.885 13.051 855 HD2 ARG 43 HD2 ARG 43 15.101 0.438 15.038 856 HD3 ARG 43 HD3 ARG 43 13.365 0.710 14.911 857 HH11 ARG 43 HH11 ARG 43 15.667 0.367 16.793 858 HH12 ARG 43 HH12 ARG 43 15.839 -0.532 18.225 859 HH21 ARG 43 HH21 ARG 43 13.510 -3.036 17.343 860 HH22 ARG 43 HH22 ARG 43 14.612 -2.513 18.542 861 H GLY 44 H GLY 44 13.769 -1.075 9.903 862 HA2 GLY 44 HA2 GLY 44 12.668 -3.255 8.855 863 HA3 GLY 44 HA3 GLY 44 11.951 -3.245 10.450 864 H LEU 45 H LEU 45 9.978 -2.721 10.164 865 HA LEU 45 HA LEU 45 9.309 -0.418 8.444 866 HG LEU 45 HG LEU 45 6.176 -0.899 8.738 867 HB2 LEU 45 HB2 LEU 45 8.418 -2.621 7.696 868 HB3 LEU 45 HB3 LEU 45 7.648 -2.788 9.261 869 HD11 LEU 45 HD11 LEU 45 7.543 -0.960 6.066 870 HD12 LEU 45 HD12 LEU 45 7.604 0.354 7.246 871 HD13 LEU 45 HD13 LEU 45 6.082 -0.058 6.448 872 HD21 LEU 45 HD21 LEU 45 4.821 -2.005 7.051 873 HD22 LEU 45 HD22 LEU 45 5.420 -3.169 8.228 874 HD23 LEU 45 HD23 LEU 45 6.166 -3.051 6.632 875 H LYS 46 H LYS 46 8.554 1.324 9.483 876 HA LYS 46 HA LYS 46 7.463 0.990 12.197 877 HB2 LYS 46 HB2 LYS 46 9.676 2.243 11.865 878 HB3 LYS 46 HB3 LYS 46 8.789 3.415 10.936 879 HG2 LYS 46 HG2 LYS 46 8.425 2.857 13.908 880 HG3 LYS 46 HG3 LYS 46 9.300 4.207 13.189 881 HD2 LYS 46 HD2 LYS 46 7.131 4.930 12.202 882 HD3 LYS 46 HD3 LYS 46 6.347 3.653 13.139 883 HE2 LYS 46 HE2 LYS 46 7.930 5.992 14.218 884 HE3 LYS 46 HE3 LYS 46 6.200 5.741 14.370 885 HZ1 LYS 46 HZ1 LYS 46 8.355 4.130 15.656 886 HZ2 LYS 46 HZ2 LYS 46 6.724 3.725 15.743 887 HZ3 LYS 46 HZ3 LYS 46 7.277 5.137 16.416 888 H VAL 47 H VAL 47 5.347 1.445 12.250 889 HA VAL 47 HA VAL 47 4.206 2.824 9.928 890 HB VAL 47 HB VAL 47 3.695 0.405 10.098 891 HG11 VAL 47 HG11 VAL 47 2.251 1.161 12.622 892 HG12 VAL 47 HG12 VAL 47 3.632 0.075 12.474 893 HG13 VAL 47 HG13 VAL 47 2.069 -0.383 11.795 894 HG21 VAL 47 HG21 VAL 47 2.194 1.854 8.883 895 HG22 VAL 47 HG22 VAL 47 1.342 2.256 10.375 896 HG23 VAL 47 HG23 VAL 47 1.267 0.615 9.732 897 H CYS 48 H CYS 48 2.732 4.411 10.255 898 HA CYS 48 HA CYS 48 1.914 4.989 13.001 899 HB2 CYS 48 HB2 CYS 48 3.130 6.884 11.033 900 HB3 CYS 48 HB3 CYS 48 2.041 7.462 12.290 901 H ALA 49 H ALA 49 -0.123 5.553 13.272 902 HA ALA 49 HA ALA 49 -1.690 5.940 10.823 903 HB1 ALA 49 HB1 ALA 49 -3.606 5.085 12.062 904 HB2 ALA 49 HB2 ALA 49 -2.559 4.831 13.467 905 HB3 ALA 49 HB3 ALA 49 -2.274 3.932 11.976 906 H ASP 50 H ASP 50 -2.496 7.875 10.631 907 HA ASP 50 HA ASP 50 -3.214 9.442 12.996 908 HB2 ASP 50 HB2 ASP 50 -1.309 10.500 11.863 909 HB3 ASP 50 HB3 ASP 50 -2.142 10.448 10.322 910 HA PRO 51 HA PRO 51 -6.985 8.615 10.587 911 HB2 PRO 51 HB2 PRO 51 -8.443 7.643 12.565 912 HB3 PRO 51 HB3 PRO 51 -7.203 6.674 11.766 913 HG2 PRO 51 HG2 PRO 51 -7.174 7.923 14.450 914 HG3 PRO 51 HG3 PRO 51 -6.357 6.464 13.867 915 HD2 PRO 51 HD2 PRO 51 -5.242 9.054 14.173 916 HD3 PRO 51 HD3 PRO 51 -4.481 7.637 13.429 917 H GLN 52 H GLN 52 -8.384 10.001 10.116 918 HA GLN 52 HA GLN 52 -10.034 11.430 10.142 919 HB2 GLN 52 HB2 GLN 52 -10.115 11.131 13.134 920 HB3 GLN 52 HB3 GLN 52 -11.377 11.809 12.120 921 HG2 GLN 52 HG2 GLN 52 -11.526 9.550 10.984 922 HG3 GLN 52 HG3 GLN 52 -10.442 8.934 12.185 923 HE21 GLN 52 HE21 GLN 52 -11.951 7.551 13.139 924 HE22 GLN 52 HE22 GLN 52 -13.296 8.164 14.037 925 H ALA 53 H ALA 53 -8.520 12.375 13.187 926 HA ALA 53 HA ALA 53 -7.912 14.348 14.012 927 HB1 ALA 53 HB1 ALA 53 -6.141 15.519 12.864 928 HB2 ALA 53 HB2 ALA 53 -6.609 14.768 11.337 929 HB3 ALA 53 HB3 ALA 53 -5.937 13.778 12.630 930 H THR 54 H THR 54 -8.078 15.874 10.829 931 HA THR 54 HA THR 54 -10.525 17.196 11.652 932 HB THR 54 HB THR 54 -9.593 19.402 10.799 933 HG1 THR 54 HG1 THR 54 -7.101 18.127 11.258 934 HG21 THR 54 HG21 THR 54 -8.450 19.953 12.916 935 HG22 THR 54 HG22 THR 54 -8.337 18.232 13.281 936 HG23 THR 54 HG23 THR 54 -9.917 19.012 13.191 937 H TRP 55 H TRP 55 -8.216 17.601 8.968 938 HA TRP 55 HA TRP 55 -10.430 16.946 7.173 939 HD1 TRP 55 HD1 TRP 55 -9.309 20.859 8.623 940 HE1 TRP 55 HE1 TRP 55 -11.553 22.009 9.110 941 HE3 TRP 55 HE3 TRP 55 -12.271 18.213 5.412 942 HZ2 TRP 55 HZ2 TRP 55 -14.232 21.813 8.245 943 HZ3 TRP 55 HZ3 TRP 55 -14.668 18.755 5.309 944 HH2 TRP 55 HH2 TRP 55 -15.623 20.521 6.701 945 HB2 TRP 55 HB2 TRP 55 -8.475 19.217 6.790 946 HB3 TRP 55 HB3 TRP 55 -9.635 18.675 5.585 947 H VAL 56 H VAL 56 -9.700 14.929 6.810 948 HA VAL 56 HA VAL 56 -7.142 14.639 5.450 949 HB VAL 56 HB VAL 56 -9.177 12.542 6.265 950 HG11 VAL 56 HG11 VAL 56 -7.855 11.839 4.327 951 HG12 VAL 56 HG12 VAL 56 -7.398 10.909 5.757 952 HG13 VAL 56 HG13 VAL 56 -6.366 12.221 5.193 953 HG21 VAL 56 HG21 VAL 56 -7.561 11.898 7.982 954 HG22 VAL 56 HG22 VAL 56 -8.101 13.567 8.191 955 HG23 VAL 56 HG23 VAL 56 -6.521 13.232 7.479 956 H ARG 57 H ARG 57 -7.202 14.989 3.359 957 HA ARG 57 HA ARG 57 -9.715 14.969 1.948 958 HE ARG 57 HE ARG 57 -8.890 19.707 1.941 959 HB2 ARG 57 HB2 ARG 57 -6.962 15.809 1.112 960 HB3 ARG 57 HB3 ARG 57 -8.366 15.890 0.066 961 HG2 ARG 57 HG2 ARG 57 -9.437 17.403 1.695 962 HG3 ARG 57 HG3 ARG 57 -7.959 17.364 2.650 963 HD2 ARG 57 HD2 ARG 57 -6.711 18.286 0.790 964 HD3 ARG 57 HD3 ARG 57 -8.160 18.266 -0.209 965 HH11 ARG 57 HH11 ARG 57 -6.155 19.984 -0.271 966 HH12 ARG 57 HH12 ARG 57 -6.095 21.676 -0.212 967 HH21 ARG 57 HH21 ARG 57 -8.830 22.004 2.033 968 HH22 ARG 57 HH22 ARG 57 -7.651 22.868 1.128 969 H ASP 58 H ASP 58 -9.861 14.105 -0.194 970 HA ASP 58 HA ASP 58 -9.132 11.342 -0.296 971 HB2 ASP 58 HB2 ASP 58 -10.381 13.116 -2.413 972 HB3 ASP 58 HB3 ASP 58 -10.279 11.364 -2.485 973 H VAL 59 H VAL 59 -7.959 14.317 -1.500 974 HA VAL 59 HA VAL 59 -6.142 14.978 -2.559 975 HB VAL 59 HB VAL 59 -5.057 12.170 -2.092 976 HG11 VAL 59 HG11 VAL 59 -3.803 13.313 -3.852 977 HG12 VAL 59 HG12 VAL 59 -2.835 13.159 -2.386 978 HG13 VAL 59 HG13 VAL 59 -3.575 14.707 -2.795 979 HG21 VAL 59 HG21 VAL 59 -5.657 13.320 -0.027 980 HG22 VAL 59 HG22 VAL 59 -4.672 14.702 -0.498 981 HG23 VAL 59 HG23 VAL 59 -3.910 13.142 -0.167 982 H VAL 60 H VAL 60 -7.584 15.192 -4.276 983 HA VAL 60 HA VAL 60 -6.869 13.465 -6.489 984 HB VAL 60 HB VAL 60 -9.203 13.056 -5.949 985 HG11 VAL 60 HG11 VAL 60 -10.938 14.784 -6.045 986 HG12 VAL 60 HG12 VAL 60 -9.684 16.010 -6.229 987 HG13 VAL 60 HG13 VAL 60 -9.776 15.060 -4.748 988 HG21 VAL 60 HG21 VAL 60 -10.293 13.625 -8.086 989 HG22 VAL 60 HG22 VAL 60 -8.653 13.016 -8.316 990 HG23 VAL 60 HG23 VAL 60 -8.979 14.744 -8.441 Start of MODEL 2 1 HA VAL 1 HA VAL 1 5.020 -27.368 16.066 2 HB VAL 1 HB VAL 1 5.164 -29.211 14.436 3 H1 VAL 1 H1 VAL 1 3.171 -27.179 17.511 4 H2 VAL 1 H2 VAL 1 4.062 -28.527 17.930 5 H3 VAL 1 H3 VAL 1 2.585 -28.703 17.109 6 HG11 VAL 1 HG11 VAL 1 5.161 -30.169 17.293 7 HG12 VAL 1 HG12 VAL 1 6.493 -29.370 16.460 8 HG13 VAL 1 HG13 VAL 1 5.966 -30.972 15.944 9 HG21 VAL 1 HG21 VAL 1 2.952 -30.491 16.044 10 HG22 VAL 1 HG22 VAL 1 3.854 -31.257 14.736 11 HG23 VAL 1 HG23 VAL 1 2.813 -29.876 14.396 12 H GLY 2 H GLY 2 4.823 -27.124 13.603 13 HA2 GLY 2 HA2 GLY 2 3.643 -26.332 11.801 14 HA3 GLY 2 HA3 GLY 2 2.141 -26.671 12.658 15 H SER 3 H SER 3 4.870 -24.811 13.781 16 HA SER 3 HA SER 3 3.344 -22.775 14.895 17 HG SER 3 HG SER 3 4.833 -23.951 16.115 18 HB2 SER 3 HB2 SER 3 6.245 -22.741 14.076 19 HB3 SER 3 HB3 SER 3 5.470 -21.651 15.231 20 H GLU 4 H GLU 4 2.619 -20.920 14.188 21 HA GLU 4 HA GLU 4 2.666 -20.325 11.413 22 HB2 GLU 4 HB2 GLU 4 1.343 -18.307 12.090 23 HB3 GLU 4 HB3 GLU 4 0.667 -19.808 12.695 24 HG2 GLU 4 HG2 GLU 4 1.674 -19.351 14.895 25 HG3 GLU 4 HG3 GLU 4 2.299 -17.830 14.272 26 H VAL 5 H VAL 5 4.256 -19.349 10.411 27 HA VAL 5 HA VAL 5 6.282 -18.100 11.984 28 HB VAL 5 HB VAL 5 7.516 -17.790 9.766 29 HG11 VAL 5 HG11 VAL 5 7.963 -19.658 11.295 30 HG12 VAL 5 HG12 VAL 5 8.093 -20.174 9.614 31 HG13 VAL 5 HG13 VAL 5 6.654 -20.577 10.552 32 HG21 VAL 5 HG21 VAL 5 5.560 -17.867 8.276 33 HG22 VAL 5 HG22 VAL 5 5.252 -19.531 8.768 34 HG23 VAL 5 HG23 VAL 5 6.713 -19.138 7.865 35 H SER 6 H SER 6 5.442 -16.386 12.842 36 HA SER 6 HA SER 6 4.056 -14.369 11.431 37 HG SER 6 HG SER 6 2.750 -15.039 13.155 38 HB2 SER 6 HB2 SER 6 5.291 -14.369 14.177 39 HB3 SER 6 HB3 SER 6 4.115 -13.197 13.573 40 H ASP 7 H ASP 7 7.367 -15.058 11.853 41 HA ASP 7 HA ASP 7 8.236 -12.345 11.517 42 HB2 ASP 7 HB2 ASP 7 10.517 -13.210 11.479 43 HB3 ASP 7 HB3 ASP 7 9.630 -13.968 12.783 44 H LYS 8 H LYS 8 7.280 -14.919 9.439 45 HA LYS 8 HA LYS 8 8.289 -13.612 7.034 46 HB2 LYS 8 HB2 LYS 8 6.439 -15.914 7.528 47 HB3 LYS 8 HB3 LYS 8 6.173 -15.079 6.050 48 HG2 LYS 8 HG2 LYS 8 7.457 -16.865 5.416 49 HG3 LYS 8 HG3 LYS 8 8.653 -15.592 5.566 50 HD2 LYS 8 HD2 LYS 8 7.953 -17.424 7.723 51 HD3 LYS 8 HD3 LYS 8 9.166 -17.916 6.521 52 HE2 LYS 8 HE2 LYS 8 10.454 -15.879 7.192 53 HE3 LYS 8 HE3 LYS 8 9.264 -15.593 8.465 54 HZ1 LYS 8 HZ1 LYS 8 11.133 -17.898 8.239 55 HZ2 LYS 8 HZ2 LYS 8 9.883 -17.802 9.387 56 HZ3 LYS 8 HZ3 LYS 8 11.079 -16.661 9.402 57 H ARG 9 H ARG 9 7.773 -11.620 7.105 58 HA ARG 9 HA ARG 9 6.634 -9.731 6.916 59 HE ARG 9 HE ARG 9 5.533 -10.817 2.231 60 HB2 ARG 9 HB2 ARG 9 4.139 -11.387 6.384 61 HB3 ARG 9 HB3 ARG 9 4.310 -9.646 6.187 62 HG2 ARG 9 HG2 ARG 9 5.964 -9.986 4.453 63 HG3 ARG 9 HG3 ARG 9 5.799 -11.733 4.664 64 HD2 ARG 9 HD2 ARG 9 3.471 -11.622 3.988 65 HD3 ARG 9 HD3 ARG 9 3.566 -9.866 3.878 66 HH11 ARG 9 HH11 ARG 9 1.988 -11.092 2.389 67 HH12 ARG 9 HH12 ARG 9 1.800 -11.288 0.709 68 HH21 ARG 9 HH21 ARG 9 5.233 -11.065 -0.076 69 HH22 ARG 9 HH22 ARG 9 3.668 -11.258 -0.720 70 H THR 10 H THR 10 6.808 -8.844 8.784 71 HA THR 10 HA THR 10 5.254 -9.788 11.003 72 HB THR 10 HB THR 10 6.480 -7.904 12.189 73 HG1 THR 10 HG1 THR 10 6.833 -6.776 10.162 74 HG21 THR 10 HG21 THR 10 8.656 -9.063 12.182 75 HG22 THR 10 HG22 THR 10 8.176 -9.950 10.738 76 HG23 THR 10 HG23 THR 10 7.321 -10.211 12.259 77 H CYS 11 H CYS 11 3.302 -9.063 11.340 78 HA CYS 11 HA CYS 11 2.540 -6.472 10.178 79 HB2 CYS 11 HB2 CYS 11 0.779 -8.909 10.613 80 HB3 CYS 11 HB3 CYS 11 0.328 -7.399 9.847 81 H VAL 12 H VAL 12 1.153 -5.254 11.455 82 HA VAL 12 HA VAL 12 0.299 -6.212 14.091 83 HB VAL 12 HB VAL 12 1.999 -3.682 13.719 84 HG11 VAL 12 HG11 VAL 12 0.543 -4.588 16.200 85 HG12 VAL 12 HG12 VAL 12 0.128 -3.176 15.229 86 HG13 VAL 12 HG13 VAL 12 1.660 -3.229 16.105 87 HG21 VAL 12 HG21 VAL 12 2.370 -6.052 15.529 88 HG22 VAL 12 HG22 VAL 12 3.476 -4.693 15.366 89 HG23 VAL 12 HG23 VAL 12 3.225 -5.814 14.015 90 H SER 13 H SER 13 -1.554 -5.103 14.913 91 HA SER 13 HA SER 13 -2.937 -3.462 12.929 92 HG SER 13 HG SER 13 -3.520 -4.719 16.102 93 HB2 SER 13 HB2 SER 13 -4.975 -4.130 14.238 94 HB3 SER 13 HB3 SER 13 -4.127 -5.473 13.464 95 H LEU 14 H LEU 14 -3.281 -1.423 13.322 96 HA LEU 14 HA LEU 14 -2.688 -0.259 15.943 97 HG LEU 14 HG LEU 14 -0.561 1.753 13.537 98 HB2 LEU 14 HB2 LEU 14 -2.836 0.949 13.188 99 HB3 LEU 14 HB3 LEU 14 -2.651 1.891 14.645 100 HD11 LEU 14 HD11 LEU 14 0.836 0.806 15.228 101 HD12 LEU 14 HD12 LEU 14 -0.551 -0.061 15.910 102 HD13 LEU 14 HD13 LEU 14 -0.534 1.699 15.906 103 HD21 LEU 14 HD21 LEU 14 -0.919 -0.239 12.180 104 HD22 LEU 14 HD22 LEU 14 -0.838 -1.249 13.621 105 HD23 LEU 14 HD23 LEU 14 0.596 -0.370 13.081 106 H THR 15 H THR 15 -4.374 0.352 17.120 107 HA THR 15 HA THR 15 -6.842 0.991 15.724 108 HB THR 15 HB THR 15 -7.832 0.745 18.062 109 HG1 THR 15 HG1 THR 15 -5.943 0.871 19.297 110 HG21 THR 15 HG21 THR 15 -6.495 -1.673 16.834 111 HG22 THR 15 HG22 THR 15 -8.065 -1.016 16.364 112 HG23 THR 15 HG23 THR 15 -7.840 -1.714 17.972 113 H THR 16 H THR 16 -6.984 3.107 15.364 114 HA THR 16 HA THR 16 -6.762 4.896 17.598 115 HB THR 16 HB THR 16 -4.522 4.995 16.860 116 HG1 THR 16 HG1 THR 16 -5.428 6.963 17.413 117 HG21 THR 16 HG21 THR 16 -4.717 4.150 14.594 118 HG22 THR 16 HG22 THR 16 -3.857 5.694 14.579 119 HG23 THR 16 HG23 THR 16 -5.550 5.624 14.095 120 H GLN 17 H GLN 17 -8.763 5.345 17.529 121 HA GLN 17 HA GLN 17 -10.816 6.183 16.913 122 HB2 GLN 17 HB2 GLN 17 -9.535 8.258 17.207 123 HB3 GLN 17 HB3 GLN 17 -9.032 8.160 15.527 124 HG2 GLN 17 HG2 GLN 17 -10.793 9.834 15.862 125 HG3 GLN 17 HG3 GLN 17 -11.314 8.534 14.794 126 HE21 GLN 17 HE21 GLN 17 -13.465 8.944 15.207 127 HE22 GLN 17 HE22 GLN 17 -14.205 8.520 16.708 128 H ARG 18 H ARG 18 -11.576 4.516 15.706 129 HA ARG 18 HA ARG 18 -11.411 4.925 12.852 130 HE ARG 18 HE ARG 18 -11.086 0.741 16.744 131 HB2 ARG 18 HB2 ARG 18 -11.361 2.379 12.591 132 HB3 ARG 18 HB3 ARG 18 -9.892 3.204 13.066 133 HG2 ARG 18 HG2 ARG 18 -10.050 1.200 14.336 134 HG3 ARG 18 HG3 ARG 18 -10.356 2.543 15.422 135 HD2 ARG 18 HD2 ARG 18 -12.793 2.089 15.233 136 HD3 ARG 18 HD3 ARG 18 -12.423 0.703 14.206 137 HH11 ARG 18 HH11 ARG 18 -13.987 -0.429 15.027 138 HH12 ARG 18 HH12 ARG 18 -14.292 -1.668 16.153 139 HH21 ARG 18 HH21 ARG 18 -11.570 -1.010 18.274 140 HH22 ARG 18 HH22 ARG 18 -12.940 -1.981 17.999 141 H LEU 19 H LEU 19 -12.975 4.311 11.569 142 HA LEU 19 HA LEU 19 -15.578 3.783 12.797 143 HG LEU 19 HG LEU 19 -16.161 6.358 13.087 144 HB2 LEU 19 HB2 LEU 19 -14.930 5.588 10.433 145 HB3 LEU 19 HB3 LEU 19 -16.549 5.140 10.902 146 HD11 LEU 19 HD11 LEU 19 -13.733 6.398 13.124 147 HD12 LEU 19 HD12 LEU 19 -14.396 8.031 13.207 148 HD13 LEU 19 HD13 LEU 19 -13.719 7.428 11.696 149 HD21 LEU 19 HD21 LEU 19 -17.445 7.339 11.287 150 HD22 LEU 19 HD22 LEU 19 -15.967 7.965 10.557 151 HD23 LEU 19 HD23 LEU 19 -16.501 8.573 12.122 152 HA PRO 20 HA PRO 20 -15.494 0.290 10.232 153 HB2 PRO 20 HB2 PRO 20 -18.116 -0.061 9.565 154 HB3 PRO 20 HB3 PRO 20 -17.438 -0.466 11.145 155 HG2 PRO 20 HG2 PRO 20 -19.000 1.930 10.314 156 HG3 PRO 20 HG3 PRO 20 -19.049 1.018 11.831 157 HD2 PRO 20 HD2 PRO 20 -17.737 3.388 11.535 158 HD3 PRO 20 HD3 PRO 20 -17.251 2.142 12.715 159 H VAL 21 H VAL 21 -15.024 -0.148 8.277 160 HA VAL 21 HA VAL 21 -16.203 1.320 6.049 161 HB VAL 21 HB VAL 21 -13.812 1.999 6.422 162 HG11 VAL 21 HG11 VAL 21 -12.919 0.010 7.422 163 HG12 VAL 21 HG12 VAL 21 -11.982 0.431 5.987 164 HG13 VAL 21 HG13 VAL 21 -13.156 -0.884 5.921 165 HG21 VAL 21 HG21 VAL 21 -12.977 1.611 4.132 166 HG22 VAL 21 HG22 VAL 21 -14.669 2.102 4.159 167 HG23 VAL 21 HG23 VAL 21 -14.246 0.412 3.895 168 H SER 22 H SER 22 -16.801 -0.014 4.300 169 HA SER 22 HA SER 22 -16.983 -2.811 5.103 170 HG SER 22 HG SER 22 -18.773 -0.832 5.432 171 HB2 SER 22 HB2 SER 22 -18.592 -1.268 3.065 172 HB3 SER 22 HB3 SER 22 -18.878 -2.943 3.562 173 H ARG 23 H ARG 23 -14.823 -1.238 3.425 174 HA ARG 23 HA ARG 23 -14.449 -3.440 1.539 175 HE ARG 23 HE ARG 23 -11.991 -2.791 -2.407 176 HB2 ARG 23 HB2 ARG 23 -15.205 -1.483 0.282 177 HB3 ARG 23 HB3 ARG 23 -13.950 -0.498 1.024 178 HG2 ARG 23 HG2 ARG 23 -13.314 -1.055 -1.228 179 HG3 ARG 23 HG3 ARG 23 -12.253 -1.892 -0.104 180 HD2 ARG 23 HD2 ARG 23 -13.576 -3.947 -0.405 181 HD3 ARG 23 HD3 ARG 23 -14.612 -3.101 -1.557 182 HH11 ARG 23 HH11 ARG 23 -14.312 -5.467 -2.082 183 HH12 ARG 23 HH12 ARG 23 -13.582 -6.395 -3.304 184 HH21 ARG 23 HH21 ARG 23 -11.054 -4.062 -4.087 185 HH22 ARG 23 HH22 ARG 23 -11.720 -5.589 -4.488 186 H ILE 24 H ILE 24 -12.449 -4.306 1.635 187 HA ILE 24 HA ILE 24 -10.597 -3.229 3.591 188 HB ILE 24 HB ILE 24 -10.530 -5.798 1.974 189 HG12 ILE 24 HG12 ILE 24 -12.388 -5.724 3.597 190 HG13 ILE 24 HG13 ILE 24 -11.198 -6.951 4.025 191 HG21 ILE 24 HG21 ILE 24 -8.765 -6.534 3.523 192 HG22 ILE 24 HG22 ILE 24 -8.783 -4.946 4.286 193 HG23 ILE 24 HG23 ILE 24 -8.283 -5.107 2.600 194 HD11 ILE 24 HD11 ILE 24 -11.489 -4.228 5.283 195 HD12 ILE 24 HD12 ILE 24 -10.286 -5.445 5.713 196 HD13 ILE 24 HD13 ILE 24 -11.997 -5.768 5.982 197 H LYS 25 H LYS 25 -9.135 -1.869 2.894 198 HA LYS 25 HA LYS 25 -8.356 -2.011 0.090 199 HB2 LYS 25 HB2 LYS 25 -7.884 0.195 2.087 200 HB3 LYS 25 HB3 LYS 25 -7.299 0.183 0.438 201 HG2 LYS 25 HG2 LYS 25 -10.182 0.202 1.292 202 HG3 LYS 25 HG3 LYS 25 -9.271 1.558 0.626 203 HD2 LYS 25 HD2 LYS 25 -8.896 0.162 -1.430 204 HD3 LYS 25 HD3 LYS 25 -10.024 -1.011 -0.743 205 HE2 LYS 25 HE2 LYS 25 -11.218 0.397 -2.284 206 HE3 LYS 25 HE3 LYS 25 -11.740 0.767 -0.639 207 HZ1 LYS 25 HZ1 LYS 25 -11.414 2.793 -1.830 208 HZ2 LYS 25 HZ2 LYS 25 -9.856 2.343 -2.300 209 HZ3 LYS 25 HZ3 LYS 25 -10.163 2.702 -0.699 210 H THR 26 H THR 26 -6.497 -2.803 -0.496 211 HA THR 26 HA THR 26 -4.368 -3.157 1.508 212 HB THR 26 HB THR 26 -3.500 -4.818 -0.106 213 HG1 THR 26 HG1 THR 26 -4.788 -3.682 -1.864 214 HG21 THR 26 HG21 THR 26 -4.967 -5.576 1.683 215 HG22 THR 26 HG22 THR 26 -5.224 -6.544 0.227 216 HG23 THR 26 HG23 THR 26 -6.382 -5.284 0.674 217 H TYR 27 H TYR 27 -2.696 -1.917 1.286 218 HA TYR 27 HA TYR 27 -2.161 -0.780 -1.347 219 HD1 TYR 27 HD1 TYR 27 -2.357 1.790 -2.111 220 HD2 TYR 27 HD2 TYR 27 -4.464 0.992 1.462 221 HE1 TYR 27 HE1 TYR 27 -4.295 2.884 -3.062 222 HE2 TYR 27 HE2 TYR 27 -6.463 2.106 0.549 223 HH TYR 27 HH TYR 27 -6.705 2.830 -2.764 224 HB2 TYR 27 HB2 TYR 27 -2.127 0.617 1.302 225 HB3 TYR 27 HB3 TYR 27 -1.202 1.218 -0.074 226 H THR 28 H THR 28 -0.286 -1.123 -2.070 227 HA THR 28 HA THR 28 1.644 -2.190 -0.174 228 HB THR 28 HB THR 28 2.563 -3.609 -2.022 229 HG1 THR 28 HG1 THR 28 0.293 -2.589 -3.435 230 HG21 THR 28 HG21 THR 28 0.737 -5.211 -2.110 231 HG22 THR 28 HG22 THR 28 -0.410 -3.954 -1.637 232 HG23 THR 28 HG23 THR 28 0.825 -4.492 -0.502 233 H ILE 29 H ILE 29 3.400 -1.053 0.063 234 HA ILE 29 HA ILE 29 4.291 0.604 -2.183 235 HB ILE 29 HB ILE 29 4.524 1.201 0.774 236 HG12 ILE 29 HG12 ILE 29 3.147 2.624 -1.508 237 HG13 ILE 29 HG13 ILE 29 2.362 1.747 -0.198 238 HG21 ILE 29 HG21 ILE 29 5.781 2.738 -1.519 239 HG22 ILE 29 HG22 ILE 29 6.641 1.819 -0.282 240 HG23 ILE 29 HG23 ILE 29 5.750 3.258 0.169 241 HD11 ILE 29 HD11 ILE 29 2.208 4.115 0.164 242 HD12 ILE 29 HD12 ILE 29 3.951 4.268 -0.030 243 HD13 ILE 29 HD13 ILE 29 3.306 3.415 1.366 244 H THR 30 H THR 30 6.125 0.100 -3.022 245 HA THR 30 HA THR 30 7.966 -1.563 -1.474 246 HB THR 30 HB THR 30 7.156 -2.670 -3.519 247 HG1 THR 30 HG1 THR 30 9.257 -2.959 -4.533 248 HG21 THR 30 HG21 THR 30 8.313 -0.308 -5.014 249 HG22 THR 30 HG22 THR 30 6.600 -0.710 -4.879 250 HG23 THR 30 HG23 THR 30 7.689 -1.783 -5.760 251 H GLU 31 H GLU 31 9.791 -0.826 -0.987 252 HA GLU 31 HA GLU 31 10.848 1.552 -2.298 253 HB2 GLU 31 HB2 GLU 31 9.563 2.470 -0.468 254 HB3 GLU 31 HB3 GLU 31 10.288 1.342 0.660 255 HG2 GLU 31 HG2 GLU 31 11.182 3.619 0.866 256 HG3 GLU 31 HG3 GLU 31 12.423 2.435 0.463 257 H GLY 32 H GLY 32 12.737 0.914 -2.930 258 HA2 GLY 32 HA2 GLY 32 14.930 0.227 -2.782 259 HA3 GLY 32 HA3 GLY 32 14.691 -0.004 -1.054 260 H SER 33 H SER 33 13.186 -1.850 -0.577 261 HA SER 33 HA SER 33 13.255 -4.083 -2.346 262 HG SER 33 HG SER 33 14.411 -5.954 -1.983 263 HB2 SER 33 HB2 SER 33 15.635 -3.981 -1.623 264 HB3 SER 33 HB3 SER 33 15.110 -4.178 0.047 265 H LEU 34 H LEU 34 12.385 -2.608 0.748 266 HA LEU 34 HA LEU 34 10.911 -4.948 1.566 267 HG LEU 34 HG LEU 34 10.128 -1.417 2.745 268 HB2 LEU 34 HB2 LEU 34 10.272 -3.742 3.599 269 HB3 LEU 34 HB3 LEU 34 12.010 -3.674 3.412 270 HD11 LEU 34 HD11 LEU 34 10.838 -0.470 4.922 271 HD12 LEU 34 HD12 LEU 34 11.681 -1.977 5.288 272 HD13 LEU 34 HD13 LEU 34 9.924 -1.961 5.106 273 HD21 LEU 34 HD21 LEU 34 12.346 -1.273 1.695 274 HD22 LEU 34 HD22 LEU 34 13.107 -1.435 3.283 275 HD23 LEU 34 HD23 LEU 34 12.095 -0.033 2.906 276 H ARG 35 H ARG 35 8.782 -5.070 1.668 277 HA ARG 35 HA ARG 35 7.327 -2.974 0.224 278 HE ARG 35 HE ARG 35 7.906 -7.498 -0.894 279 HB2 ARG 35 HB2 ARG 35 6.844 -5.959 0.198 280 HB3 ARG 35 HB3 ARG 35 5.832 -4.763 -0.596 281 HG2 ARG 35 HG2 ARG 35 7.645 -4.132 -2.054 282 HG3 ARG 35 HG3 ARG 35 8.742 -5.216 -1.204 283 HD2 ARG 35 HD2 ARG 35 6.283 -6.024 -2.722 284 HD3 ARG 35 HD3 ARG 35 7.954 -6.149 -3.289 285 HH11 ARG 35 HH11 ARG 35 6.164 -7.931 -3.942 286 HH12 ARG 35 HH12 ARG 35 6.053 -9.627 -3.758 287 HH21 ARG 35 HH21 ARG 35 7.734 -9.698 -0.674 288 HH22 ARG 35 HH22 ARG 35 6.978 -10.691 -1.862 289 H ALA 36 H ALA 36 5.948 -1.979 1.441 290 HA ALA 36 HA ALA 36 5.044 -3.283 3.905 291 HB1 ALA 36 HB1 ALA 36 4.569 -1.023 4.716 292 HB2 ALA 36 HB2 ALA 36 5.101 -0.361 3.170 293 HB3 ALA 36 HB3 ALA 36 6.254 -1.189 4.215 294 H VAL 37 H VAL 37 2.966 -3.644 4.237 295 HA VAL 37 HA VAL 37 1.108 -2.735 2.143 296 HB VAL 37 HB VAL 37 0.782 -5.271 3.759 297 HG11 VAL 37 HG11 VAL 37 -0.941 -5.825 2.106 298 HG12 VAL 37 HG12 VAL 37 -0.695 -4.257 1.335 299 HG13 VAL 37 HG13 VAL 37 -1.318 -4.343 2.983 300 HG21 VAL 37 HG21 VAL 37 1.276 -6.417 1.611 301 HG22 VAL 37 HG22 VAL 37 2.685 -5.602 2.334 302 HG23 VAL 37 HG23 VAL 37 1.807 -4.866 0.986 303 H ILE 38 H ILE 38 -0.571 -1.631 2.742 304 HA ILE 38 HA ILE 38 -1.194 -1.307 5.550 305 HB ILE 38 HB ILE 38 -1.439 0.363 3.077 306 HG12 ILE 38 HG12 ILE 38 -0.157 0.941 5.728 307 HG13 ILE 38 HG13 ILE 38 0.680 0.356 4.293 308 HG21 ILE 38 HG21 ILE 38 -3.549 0.619 4.219 309 HG22 ILE 38 HG22 ILE 38 -2.575 2.080 4.319 310 HG23 ILE 38 HG23 ILE 38 -2.706 1.012 5.725 311 HD11 ILE 38 HD11 ILE 38 -0.867 2.925 4.387 312 HD12 ILE 38 HD12 ILE 38 0.183 2.287 3.120 313 HD13 ILE 38 HD13 ILE 38 0.871 2.795 4.690 314 H PHE 39 H PHE 39 -2.916 -2.482 6.101 315 HA PHE 39 HA PHE 39 -5.048 -2.947 4.133 316 HD1 PHE 39 HD1 PHE 39 -5.514 -5.964 3.751 317 HD2 PHE 39 HD2 PHE 39 -2.292 -5.061 6.361 318 HE1 PHE 39 HE1 PHE 39 -4.176 -7.756 2.719 319 HE2 PHE 39 HE2 PHE 39 -0.952 -6.843 5.336 320 HZ PHE 39 HZ PHE 39 -1.896 -8.195 3.513 321 HB2 PHE 39 HB2 PHE 39 -4.443 -4.250 6.772 322 HB3 PHE 39 HB3 PHE 39 -5.848 -4.647 5.789 323 H ILE 40 H ILE 40 -6.574 -1.573 4.268 324 HA ILE 40 HA ILE 40 -7.056 -0.137 6.749 325 HB ILE 40 HB ILE 40 -8.477 0.077 4.094 326 HG12 ILE 40 HG12 ILE 40 -6.158 0.751 3.760 327 HG13 ILE 40 HG13 ILE 40 -7.181 2.174 3.815 328 HG21 ILE 40 HG21 ILE 40 -9.871 0.857 5.874 329 HG22 ILE 40 HG22 ILE 40 -9.270 2.253 4.973 330 HG23 ILE 40 HG23 ILE 40 -8.552 1.827 6.528 331 HD11 ILE 40 HD11 ILE 40 -6.413 2.683 6.066 332 HD12 ILE 40 HD12 ILE 40 -5.060 2.458 4.935 333 HD13 ILE 40 HD13 ILE 40 -5.454 1.186 6.059 334 H THR 41 H THR 41 -8.438 -0.880 8.188 335 HA THR 41 HA THR 41 -10.554 -2.687 7.272 336 HB THR 41 HB THR 41 -10.228 -4.009 9.344 337 HG1 THR 41 HG1 THR 41 -8.153 -2.132 9.721 338 HG21 THR 41 HG21 THR 41 -7.736 -3.793 7.637 339 HG22 THR 41 HG22 THR 41 -9.152 -4.788 7.286 340 HG23 THR 41 HG23 THR 41 -8.142 -5.158 8.681 341 H LYS 42 H LYS 42 -12.343 -2.808 8.780 342 HA LYS 42 HA LYS 42 -13.302 -0.341 9.731 343 HB2 LYS 42 HB2 LYS 42 -15.186 -1.569 10.642 344 HB3 LYS 42 HB3 LYS 42 -14.751 -2.310 9.111 345 HG2 LYS 42 HG2 LYS 42 -14.019 -3.359 11.850 346 HG3 LYS 42 HG3 LYS 42 -15.366 -3.923 10.869 347 HD2 LYS 42 HD2 LYS 42 -13.854 -4.785 9.209 348 HD3 LYS 42 HD3 LYS 42 -12.469 -4.049 10.029 349 HE2 LYS 42 HE2 LYS 42 -12.601 -6.418 10.457 350 HE3 LYS 42 HE3 LYS 42 -12.821 -5.469 11.927 351 HZ1 LYS 42 HZ1 LYS 42 -15.000 -6.743 10.330 352 HZ2 LYS 42 HZ2 LYS 42 -15.213 -5.865 11.764 353 HZ3 LYS 42 HZ3 LYS 42 -14.409 -7.318 11.796 354 H ARG 43 H ARG 43 -11.164 -2.567 11.141 355 HA ARG 43 HA ARG 43 -11.716 -1.766 13.883 356 HE ARG 43 HE ARG 43 -8.835 -4.778 16.852 357 HB2 ARG 43 HB2 ARG 43 -11.413 -4.164 13.298 358 HB3 ARG 43 HB3 ARG 43 -9.785 -3.801 12.767 359 HG2 ARG 43 HG2 ARG 43 -9.133 -3.221 15.012 360 HG3 ARG 43 HG3 ARG 43 -10.789 -3.446 15.579 361 HD2 ARG 43 HD2 ARG 43 -10.702 -5.788 14.921 362 HD3 ARG 43 HD3 ARG 43 -9.045 -5.574 14.349 363 HH11 ARG 43 HH11 ARG 43 -10.480 -7.611 15.529 364 HH12 ARG 43 HH12 ARG 43 -10.154 -8.610 16.874 365 HH21 ARG 43 HH21 ARG 43 -8.386 -6.146 18.724 366 HH22 ARG 43 HH22 ARG 43 -8.969 -7.747 18.735 367 H GLY 44 H GLY 44 -9.836 -0.853 11.292 368 HA2 GLY 44 HA2 GLY 44 -8.719 1.344 11.935 369 HA3 GLY 44 HA3 GLY 44 -7.797 0.341 13.047 370 H LEU 45 H LEU 45 -5.835 0.306 12.304 371 HA LEU 45 HA LEU 45 -5.378 -0.013 9.407 372 HG LEU 45 HG LEU 45 -2.264 0.137 9.875 373 HB2 LEU 45 HB2 LEU 45 -4.515 2.080 10.235 374 HB3 LEU 45 HB3 LEU 45 -3.698 1.294 11.563 375 HD11 LEU 45 HD11 LEU 45 -3.641 0.294 7.943 376 HD12 LEU 45 HD12 LEU 45 -2.099 1.111 7.647 377 HD13 LEU 45 HD13 LEU 45 -3.553 2.057 7.982 378 HD21 LEU 45 HD21 LEU 45 -2.102 3.153 9.927 379 HD22 LEU 45 HD22 LEU 45 -0.817 2.075 9.409 380 HD23 LEU 45 HD23 LEU 45 -1.335 2.039 11.071 381 H LYS 46 H LYS 46 -4.540 -1.912 8.842 382 HA LYS 46 HA LYS 46 -2.977 -3.375 10.849 383 HB2 LYS 46 HB2 LYS 46 -5.004 -4.553 10.251 384 HB3 LYS 46 HB3 LYS 46 -4.697 -4.400 8.546 385 HG2 LYS 46 HG2 LYS 46 -4.166 -6.639 9.122 386 HG3 LYS 46 HG3 LYS 46 -2.613 -5.814 8.983 387 HD2 LYS 46 HD2 LYS 46 -2.479 -5.613 11.386 388 HD3 LYS 46 HD3 LYS 46 -4.077 -6.351 11.547 389 HE2 LYS 46 HE2 LYS 46 -1.646 -7.661 10.342 390 HE3 LYS 46 HE3 LYS 46 -2.276 -7.982 11.956 391 HZ1 LYS 46 HZ1 LYS 46 -4.290 -8.883 10.963 392 HZ2 LYS 46 HZ2 LYS 46 -2.951 -9.658 10.328 393 HZ3 LYS 46 HZ3 LYS 46 -3.748 -8.525 9.401 394 H VAL 47 H VAL 47 -0.895 -3.474 10.366 395 HA VAL 47 HA VAL 47 -0.099 -2.709 7.648 396 HB VAL 47 HB VAL 47 0.506 -1.093 9.429 397 HG11 VAL 47 HG11 VAL 47 2.320 -1.684 11.039 398 HG12 VAL 47 HG12 VAL 47 2.170 -3.358 10.515 399 HG13 VAL 47 HG13 VAL 47 0.814 -2.561 11.304 400 HG21 VAL 47 HG21 VAL 47 1.854 -1.189 7.408 401 HG22 VAL 47 HG22 VAL 47 2.834 -2.479 8.099 402 HG23 VAL 47 HG23 VAL 47 2.891 -0.862 8.799 403 H CYS 48 H CYS 48 1.337 -3.931 6.593 404 HA CYS 48 HA CYS 48 2.585 -6.135 8.051 405 HB2 CYS 48 HB2 CYS 48 1.220 -6.263 5.386 406 HB3 CYS 48 HB3 CYS 48 2.457 -7.427 5.844 407 H ALA 49 H ALA 49 4.652 -6.477 7.699 408 HA ALA 49 HA ALA 49 5.944 -4.769 5.665 409 HB1 ALA 49 HB1 ALA 49 7.104 -5.950 8.178 410 HB2 ALA 49 HB2 ALA 49 6.568 -4.284 7.973 411 HB3 ALA 49 HB3 ALA 49 7.933 -4.889 7.033 412 H ASP 50 H ASP 50 6.726 -5.893 3.995 413 HA ASP 50 HA ASP 50 7.372 -8.701 4.383 414 HB2 ASP 50 HB2 ASP 50 5.824 -8.195 2.527 415 HB3 ASP 50 HB3 ASP 50 7.033 -7.131 1.822 416 HA PRO 51 HA PRO 51 11.619 -7.674 4.994 417 HB2 PRO 51 HB2 PRO 51 11.792 -10.404 3.825 418 HB3 PRO 51 HB3 PRO 51 12.613 -9.709 5.232 419 HG2 PRO 51 HG2 PRO 51 10.543 -11.312 5.589 420 HG3 PRO 51 HG3 PRO 51 10.708 -9.839 6.561 421 HD2 PRO 51 HD2 PRO 51 8.900 -10.394 4.263 422 HD3 PRO 51 HD3 PRO 51 8.634 -9.421 5.729 423 H GLN 52 H GLN 52 13.039 -6.683 3.764 424 HA GLN 52 HA GLN 52 13.058 -6.298 1.067 425 HB2 GLN 52 HB2 GLN 52 15.375 -6.428 2.977 426 HB3 GLN 52 HB3 GLN 52 15.457 -5.726 1.368 427 HG2 GLN 52 HG2 GLN 52 13.811 -4.049 2.035 428 HG3 GLN 52 HG3 GLN 52 13.724 -4.792 3.634 429 HE21 GLN 52 HE21 GLN 52 15.674 -2.898 1.460 430 HE22 GLN 52 HE22 GLN 52 16.787 -2.373 2.677 431 H ALA 53 H ALA 53 13.113 -7.800 -0.417 432 HA ALA 53 HA ALA 53 15.002 -10.038 -0.117 433 HB1 ALA 53 HB1 ALA 53 12.699 -10.796 -0.043 434 HB2 ALA 53 HB2 ALA 53 13.509 -11.371 -1.500 435 HB3 ALA 53 HB3 ALA 53 12.383 -10.014 -1.597 436 H THR 54 H THR 54 13.153 -8.510 -2.723 437 HA THR 54 HA THR 54 15.539 -8.636 -4.406 438 HB THR 54 HB THR 54 12.736 -7.926 -5.189 439 HG1 THR 54 HG1 THR 54 13.991 -10.440 -4.796 440 HG21 THR 54 HG21 THR 54 13.451 -8.723 -7.412 441 HG22 THR 54 HG22 THR 54 15.043 -9.093 -6.754 442 HG23 THR 54 HG23 THR 54 14.484 -7.420 -6.823 443 H TRP 55 H TRP 55 16.469 -6.700 -4.972 444 HA TRP 55 HA TRP 55 15.463 -4.254 -3.926 445 HD1 TRP 55 HD1 TRP 55 19.219 -6.317 -4.823 446 HE1 TRP 55 HE1 TRP 55 20.565 -6.120 -2.643 447 HE3 TRP 55 HE3 TRP 55 16.985 -2.171 -2.845 448 HZ2 TRP 55 HZ2 TRP 55 20.672 -4.450 -0.386 449 HZ3 TRP 55 HZ3 TRP 55 17.770 -1.338 -0.662 450 HH2 TRP 55 HH2 TRP 55 19.573 -2.455 0.538 451 HB2 TRP 55 HB2 TRP 55 17.510 -4.831 -6.046 452 HB3 TRP 55 HB3 TRP 55 17.203 -3.219 -5.384 453 H VAL 56 H VAL 56 14.032 -2.956 -4.824 454 HA VAL 56 HA VAL 56 12.643 -3.998 -7.079 455 HB VAL 56 HB VAL 56 11.326 -3.094 -5.246 456 HG11 VAL 56 HG11 VAL 56 11.157 -0.690 -4.799 457 HG12 VAL 56 HG12 VAL 56 12.476 -0.399 -5.932 458 HG13 VAL 56 HG13 VAL 56 12.770 -1.324 -4.460 459 HG21 VAL 56 HG21 VAL 56 10.983 -1.510 -7.791 460 HG22 VAL 56 HG22 VAL 56 9.764 -1.685 -6.532 461 HG23 VAL 56 HG23 VAL 56 10.302 -3.098 -7.441 462 H ARG 57 H ARG 57 13.207 -3.729 -9.011 463 HA ARG 57 HA ARG 57 14.363 -1.195 -9.835 464 HE ARG 57 HE ARG 57 16.129 -1.657 -14.514 465 HB2 ARG 57 HB2 ARG 57 15.728 -3.156 -10.410 466 HB3 ARG 57 HB3 ARG 57 14.357 -3.879 -11.238 467 HG2 ARG 57 HG2 ARG 57 14.383 -2.012 -12.843 468 HG3 ARG 57 HG3 ARG 57 15.813 -1.370 -12.036 469 HD2 ARG 57 HD2 ARG 57 17.054 -3.397 -12.581 470 HD3 ARG 57 HD3 ARG 57 15.612 -4.100 -13.309 471 HH11 ARG 57 HH11 ARG 57 17.593 -4.906 -14.357 472 HH12 ARG 57 HH12 ARG 57 18.263 -4.802 -15.916 473 HH21 ARG 57 HH21 ARG 57 17.020 -1.571 -16.644 474 HH22 ARG 57 HH22 ARG 57 17.940 -2.891 -17.245 475 H ASP 58 H ASP 58 12.276 -0.343 -9.581 476 HA ASP 58 HA ASP 58 10.985 0.367 -11.858 477 HB2 ASP 58 HB2 ASP 58 10.088 -1.970 -12.040 478 HB3 ASP 58 HB3 ASP 58 9.339 -1.778 -10.459 479 H VAL 59 H VAL 59 11.218 2.265 -10.694 480 HA VAL 59 HA VAL 59 9.319 2.480 -8.508 481 HB VAL 59 HB VAL 59 10.625 4.381 -7.674 482 HG11 VAL 59 HG11 VAL 59 12.164 1.804 -7.966 483 HG12 VAL 59 HG12 VAL 59 10.975 2.184 -6.720 484 HG13 VAL 59 HG13 VAL 59 12.507 3.054 -6.771 485 HG21 VAL 59 HG21 VAL 59 11.736 5.102 -9.706 486 HG22 VAL 59 HG22 VAL 59 12.640 3.593 -9.782 487 HG23 VAL 59 HG23 VAL 59 12.941 4.733 -8.472 488 H VAL 60 H VAL 60 7.784 3.908 -8.571 489 HA VAL 60 HA VAL 60 7.650 5.674 -10.910 490 HB VAL 60 HB VAL 60 5.893 3.938 -10.894 491 HG11 VAL 60 HG11 VAL 60 4.132 3.934 -9.188 492 HG12 VAL 60 HG12 VAL 60 5.031 5.144 -8.273 493 HG13 VAL 60 HG13 VAL 60 5.715 3.539 -8.517 494 HG21 VAL 60 HG21 VAL 60 3.933 5.409 -11.146 495 HG22 VAL 60 HG22 VAL 60 5.369 6.091 -11.908 496 HG23 VAL 60 HG23 VAL 60 4.821 6.709 -10.350 497 HA VAL 1 HA VAL 1 -1.145 18.816 31.955 498 HB VAL 1 HB VAL 1 0.903 20.121 32.428 499 H1 VAL 1 H1 VAL 1 -1.279 16.574 32.358 500 HG11 VAL 1 HG11 VAL 1 0.812 20.027 34.877 501 HG12 VAL 1 HG12 VAL 1 -0.032 18.480 34.781 502 HG13 VAL 1 HG13 VAL 1 -0.797 19.945 34.167 503 HG21 VAL 1 HG21 VAL 1 1.985 17.521 33.530 504 HG22 VAL 1 HG22 VAL 1 2.767 19.098 33.665 505 HG23 VAL 1 HG23 VAL 1 2.550 18.351 32.083 506 H GLY 2 H GLY 2 0.743 16.266 31.082 507 HA2 GLY 2 HA2 GLY 2 1.166 17.360 28.396 508 HA3 GLY 2 HA3 GLY 2 2.513 16.613 29.242 509 H SER 3 H SER 3 -0.910 15.889 28.534 510 HA SER 3 HA SER 3 -0.666 13.158 28.711 511 HG SER 3 HG SER 3 -3.681 15.033 26.770 512 HB2 SER 3 HB2 SER 3 -2.804 13.150 27.351 513 HB3 SER 3 HB3 SER 3 -2.836 14.141 28.807 514 H GLU 4 H GLU 4 0.528 11.880 27.635 515 HA GLU 4 HA GLU 4 1.617 12.587 25.110 516 HB2 GLU 4 HB2 GLU 4 2.835 10.440 25.295 517 HB3 GLU 4 HB3 GLU 4 3.040 11.497 26.681 518 HG2 GLU 4 HG2 GLU 4 1.357 10.156 27.893 519 HG3 GLU 4 HG3 GLU 4 1.292 9.060 26.516 520 H VAL 5 H VAL 5 1.461 11.357 23.212 521 HA VAL 5 HA VAL 5 -1.215 10.710 22.668 522 HB VAL 5 HB VAL 5 -0.435 10.131 20.352 523 HG11 VAL 5 HG11 VAL 5 0.265 12.398 19.763 524 HG12 VAL 5 HG12 VAL 5 0.601 12.737 21.460 525 HG13 VAL 5 HG13 VAL 5 -1.052 12.412 20.938 526 HG21 VAL 5 HG21 VAL 5 1.781 9.261 20.906 527 HG22 VAL 5 HG22 VAL 5 2.292 10.864 21.434 528 HG23 VAL 5 HG23 VAL 5 1.901 10.577 19.738 529 H SER 6 H SER 6 -2.125 9.035 23.466 530 HA SER 6 HA SER 6 -0.712 6.496 23.539 531 HG SER 6 HG SER 6 -1.573 8.358 25.778 532 HB2 SER 6 HB2 SER 6 -3.324 7.318 24.819 533 HB3 SER 6 HB3 SER 6 -2.504 5.776 25.051 534 H ASP 7 H ASP 7 -4.099 7.462 22.885 535 HA ASP 7 HA ASP 7 -4.177 5.411 20.787 536 HB2 ASP 7 HB2 ASP 7 -6.434 6.901 22.149 537 HB3 ASP 7 HB3 ASP 7 -6.657 5.773 20.822 538 H LYS 8 H LYS 8 -3.584 8.557 21.150 539 HA LYS 8 HA LYS 8 -4.833 9.504 18.666 540 HB2 LYS 8 HB2 LYS 8 -4.611 10.914 20.730 541 HB3 LYS 8 HB3 LYS 8 -2.865 10.835 20.498 542 HG2 LYS 8 HG2 LYS 8 -3.084 11.972 18.357 543 HG3 LYS 8 HG3 LYS 8 -4.832 12.060 18.573 544 HD2 LYS 8 HD2 LYS 8 -2.766 13.364 20.373 545 HD3 LYS 8 HD3 LYS 8 -3.765 14.188 19.177 546 HE2 LYS 8 HE2 LYS 8 -5.776 13.538 20.410 547 HE3 LYS 8 HE3 LYS 8 -4.780 12.689 21.584 548 HZ1 LYS 8 HZ1 LYS 8 -4.670 15.600 21.059 549 HZ2 LYS 8 HZ2 LYS 8 -3.782 14.770 22.237 550 HZ3 LYS 8 HZ3 LYS 8 -5.457 14.870 22.347 551 H ARG 9 H ARG 9 -3.994 8.589 16.989 552 HA ARG 9 HA ARG 9 -2.652 7.909 15.429 553 HE ARG 9 HE ARG 9 -2.449 12.515 13.429 554 HB2 ARG 9 HB2 ARG 9 -0.497 9.827 16.417 555 HB3 ARG 9 HB3 ARG 9 -0.644 9.002 14.865 556 HG2 ARG 9 HG2 ARG 9 -2.551 10.275 14.270 557 HG3 ARG 9 HG3 ARG 9 -2.556 11.065 15.852 558 HD2 ARG 9 HD2 ARG 9 -0.394 12.060 15.414 559 HD3 ARG 9 HD3 ARG 9 -0.257 11.172 13.902 560 HH11 ARG 9 HH11 ARG 9 0.555 13.674 14.923 561 HH12 ARG 9 HH12 ARG 9 0.431 15.246 14.288 562 HH21 ARG 9 HH21 ARG 9 -2.600 14.710 12.569 563 HH22 ARG 9 HH22 ARG 9 -1.377 15.852 12.959 564 H THR 10 H THR 10 -2.342 5.817 16.002 565 HA THR 10 HA THR 10 -0.199 5.278 17.824 566 HB THR 10 HB THR 10 -1.002 2.886 17.593 567 HG1 THR 10 HG1 THR 10 -3.289 2.913 16.873 568 HG21 THR 10 HG21 THR 10 -2.978 3.263 19.025 569 HG22 THR 10 HG22 THR 10 -2.943 4.972 18.584 570 HG23 THR 10 HG23 THR 10 -1.610 4.270 19.497 571 H CYS 11 H CYS 11 1.671 4.353 17.296 572 HA CYS 11 HA CYS 11 2.089 3.685 14.472 573 HB2 CYS 11 HB2 CYS 11 4.044 5.094 16.305 574 HB3 CYS 11 HB3 CYS 11 4.277 4.710 14.613 575 H VAL 12 H VAL 12 3.601 2.035 14.232 576 HA VAL 12 HA VAL 12 4.904 0.863 16.570 577 HB VAL 12 HB VAL 12 2.980 -0.784 14.836 578 HG11 VAL 12 HG11 VAL 12 4.956 -1.789 16.904 579 HG12 VAL 12 HG12 VAL 12 5.056 -2.065 15.166 580 HG13 VAL 12 HG13 VAL 12 3.728 -2.764 16.096 581 HG21 VAL 12 HG21 VAL 12 1.927 -1.362 16.951 582 HG22 VAL 12 HG22 VAL 12 1.980 0.388 16.767 583 HG23 VAL 12 HG23 VAL 12 3.126 -0.420 17.828 584 H SER 13 H SER 13 6.786 -0.308 16.111 585 HA SER 13 HA SER 13 7.718 0.012 13.380 586 HG SER 13 HG SER 13 9.109 0.578 16.924 587 HB2 SER 13 HB2 SER 13 9.978 -0.136 14.472 588 HB3 SER 13 HB3 SER 13 9.027 1.268 14.957 589 H LEU 14 H LEU 14 8.397 -1.712 12.290 590 HA LEU 14 HA LEU 14 8.052 -4.341 13.540 591 HG LEU 14 HG LEU 14 5.587 -4.530 10.686 592 HB2 LEU 14 HB2 LEU 14 7.831 -3.532 10.643 593 HB3 LEU 14 HB3 LEU 14 7.795 -5.177 11.212 594 HD11 LEU 14 HD11 LEU 14 5.831 -5.929 12.593 595 HD12 LEU 14 HD12 LEU 14 4.435 -4.859 12.767 596 HD13 LEU 14 HD13 LEU 14 5.935 -4.518 13.644 597 HD21 LEU 14 HD21 LEU 14 5.808 -2.102 10.785 598 HD22 LEU 14 HD22 LEU 14 5.917 -2.171 12.540 599 HD23 LEU 14 HD23 LEU 14 4.419 -2.642 11.733 600 H THR 15 H THR 15 9.852 -5.372 13.900 601 HA THR 15 HA THR 15 12.110 -4.835 12.149 602 HB THR 15 HB THR 15 13.418 -6.033 13.954 603 HG1 THR 15 HG1 THR 15 11.158 -6.728 14.788 604 HG21 THR 15 HG21 THR 15 11.953 -3.512 14.755 605 HG22 THR 15 HG22 THR 15 13.435 -3.590 13.804 606 HG23 THR 15 HG23 THR 15 13.446 -4.095 15.493 607 H THR 16 H THR 16 12.180 -6.203 10.595 608 HA THR 16 HA THR 16 11.787 -9.039 11.145 609 HB THR 16 HB THR 16 9.730 -8.163 10.037 610 HG1 THR 16 HG1 THR 16 10.069 -10.209 9.429 611 HG21 THR 16 HG21 THR 16 9.814 -7.299 7.724 612 HG22 THR 16 HG22 THR 16 11.575 -7.366 7.773 613 HG23 THR 16 HG23 THR 16 10.710 -6.261 8.835 614 H GLN 17 H GLN 17 12.467 -9.949 8.632 615 HA GLN 17 HA GLN 17 15.286 -9.753 8.575 616 HB2 GLN 17 HB2 GLN 17 14.169 -11.739 7.787 617 HB3 GLN 17 HB3 GLN 17 13.321 -10.872 6.537 618 HG2 GLN 17 HG2 GLN 17 15.068 -12.131 5.522 619 HG3 GLN 17 HG3 GLN 17 15.545 -10.439 5.462 620 HE21 GLN 17 HE21 GLN 17 17.687 -10.969 5.253 621 HE22 GLN 17 HE22 GLN 17 18.646 -11.602 6.528 622 H ARG 18 H ARG 18 15.813 -7.613 8.433 623 HA ARG 18 HA ARG 18 15.530 -6.475 5.798 624 HE ARG 18 HE ARG 18 15.223 -3.915 11.118 625 HB2 ARG 18 HB2 ARG 18 15.376 -4.162 6.800 626 HB3 ARG 18 HB3 ARG 18 13.965 -5.180 6.948 627 HG2 ARG 18 HG2 ARG 18 14.257 -3.926 8.976 628 HG3 ARG 18 HG3 ARG 18 14.576 -5.619 9.308 629 HD2 ARG 18 HD2 ARG 18 16.969 -5.190 9.308 630 HD3 ARG 18 HD3 ARG 18 16.691 -3.510 8.848 631 HH11 ARG 18 HH11 ARG 18 18.689 -4.087 10.338 632 HH12 ARG 18 HH12 ARG 18 19.172 -3.594 11.894 633 HH21 ARG 18 HH21 ARG 18 15.932 -3.230 13.234 634 HH22 ARG 18 HH22 ARG 18 17.598 -3.091 13.547 635 H LEU 19 H LEU 19 17.042 -5.070 5.054 636 HA LEU 19 HA LEU 19 19.719 -5.575 6.107 637 HG LEU 19 HG LEU 19 20.170 -7.128 3.945 638 HB2 LEU 19 HB2 LEU 19 18.730 -4.519 3.433 639 HB3 LEU 19 HB3 LEU 19 20.415 -4.635 3.857 640 HD11 LEU 19 HD11 LEU 19 17.445 -6.610 2.786 641 HD12 LEU 19 HD12 LEU 19 17.779 -7.300 4.377 642 HD13 LEU 19 HD13 LEU 19 18.233 -8.181 2.919 643 HD21 LEU 19 HD21 LEU 19 21.042 -6.036 1.971 644 HD22 LEU 19 HD22 LEU 19 19.406 -5.803 1.359 645 HD23 LEU 19 HD23 LEU 19 20.059 -7.429 1.526 646 HA PRO 20 HA PRO 20 19.888 -1.344 7.458 647 HB2 PRO 20 HB2 PRO 20 22.404 -0.552 6.795 648 HB3 PRO 20 HB3 PRO 20 22.062 -1.605 8.170 649 HG2 PRO 20 HG2 PRO 20 23.050 -2.302 5.443 650 HG3 PRO 20 HG3 PRO 20 23.520 -2.980 7.013 651 HD2 PRO 20 HD2 PRO 20 21.806 -4.211 5.302 652 HD3 PRO 20 HD3 PRO 20 21.715 -4.405 7.074 653 H VAL 21 H VAL 21 19.195 0.457 6.639 654 HA VAL 21 HA VAL 21 19.957 1.247 3.941 655 HB VAL 21 HB VAL 21 17.673 0.319 3.803 656 HG11 VAL 21 HG11 VAL 21 16.882 2.390 5.822 657 HG12 VAL 21 HG12 VAL 21 16.912 0.643 6.054 658 HG13 VAL 21 HG13 VAL 21 15.769 1.363 4.917 659 HG21 VAL 21 HG21 VAL 21 16.514 2.221 2.769 660 HG22 VAL 21 HG22 VAL 21 18.213 2.158 2.298 661 HG23 VAL 21 HG23 VAL 21 17.667 3.323 3.511 662 H SER 22 H SER 22 20.573 3.313 3.738 663 HA SER 22 HA SER 22 20.848 4.770 6.238 664 HG SER 22 HG SER 22 22.905 3.298 4.240 665 HB2 SER 22 HB2 SER 22 22.166 5.209 3.555 666 HB3 SER 22 HB3 SER 22 22.619 5.960 5.088 667 H ARG 23 H ARG 23 18.624 4.753 3.875 668 HA ARG 23 HA ARG 23 18.251 7.665 3.913 669 HE ARG 23 HE ARG 23 15.434 9.874 1.133 670 HB2 ARG 23 HB2 ARG 23 18.555 6.682 1.657 671 HB3 ARG 23 HB3 ARG 23 17.173 5.636 1.938 672 HG2 ARG 23 HG2 ARG 23 16.524 7.490 0.530 673 HG3 ARG 23 HG3 ARG 23 15.729 7.642 2.101 674 HD2 ARG 23 HD2 ARG 23 17.498 9.240 2.785 675 HD3 ARG 23 HD3 ARG 23 18.191 9.113 1.174 676 HH11 ARG 23 HH11 ARG 23 18.724 11.123 1.524 677 HH12 ARG 23 HH12 ARG 23 18.334 12.710 1.086 678 HH21 ARG 23 HH21 ARG 23 14.894 12.064 0.514 679 HH22 ARG 23 HH22 ARG 23 16.091 13.272 0.497 680 H ILE 24 H ILE 24 16.266 8.493 4.594 681 HA ILE 24 HA ILE 24 14.400 6.609 5.829 682 HB ILE 24 HB ILE 24 14.724 9.620 6.123 683 HG12 ILE 24 HG12 ILE 24 16.517 8.306 7.213 684 HG13 ILE 24 HG13 ILE 24 15.528 9.182 8.377 685 HG21 ILE 24 HG21 ILE 24 12.809 7.792 7.564 686 HG22 ILE 24 HG22 ILE 24 12.394 9.030 6.376 687 HG23 ILE 24 HG23 ILE 24 13.078 9.494 7.935 688 HD11 ILE 24 HD11 ILE 24 15.281 6.254 7.721 689 HD12 ILE 24 HD12 ILE 24 14.355 7.138 8.925 690 HD13 ILE 24 HD13 ILE 24 16.092 6.923 9.145 691 H LYS 25 H LYS 25 12.445 6.346 4.886 692 HA LYS 25 HA LYS 25 11.579 8.385 2.954 693 HB2 LYS 25 HB2 LYS 25 11.174 5.392 2.681 694 HB3 LYS 25 HB3 LYS 25 10.374 6.602 1.710 695 HG2 LYS 25 HG2 LYS 25 13.350 6.139 1.790 696 HG3 LYS 25 HG3 LYS 25 12.249 5.551 0.543 697 HD2 LYS 25 HD2 LYS 25 11.620 7.960 0.119 698 HD3 LYS 25 HD3 LYS 25 12.932 8.398 1.221 699 HE2 LYS 25 HE2 LYS 25 13.740 8.537 -1.041 700 HE3 LYS 25 HE3 LYS 25 14.516 7.184 -0.224 701 HZ1 LYS 25 HZ1 LYS 25 13.870 6.473 -2.419 702 HZ2 LYS 25 HZ2 LYS 25 12.335 7.069 -2.237 703 HZ3 LYS 25 HZ3 LYS 25 12.766 5.715 -1.391 704 H THR 26 H THR 26 9.467 8.927 2.950 705 HA THR 26 HA THR 26 7.715 7.783 5.052 706 HB THR 26 HB THR 26 6.827 10.082 5.326 707 HG1 THR 26 HG1 THR 26 8.350 10.568 3.195 708 HG21 THR 26 HG21 THR 26 9.789 9.836 5.881 709 HG22 THR 26 HG22 THR 26 8.491 9.256 6.928 710 HG23 THR 26 HG23 THR 26 8.698 10.987 6.657 711 H TYR 27 H TYR 27 5.885 7.090 4.276 712 HA TYR 27 HA TYR 27 4.912 8.257 1.784 713 HD1 TYR 27 HD1 TYR 27 4.827 6.935 -0.787 714 HD2 TYR 27 HD2 TYR 27 7.476 5.305 2.088 715 HE1 TYR 27 HE1 TYR 27 6.611 7.021 -2.431 716 HE2 TYR 27 HE2 TYR 27 9.305 5.349 0.458 717 HH TYR 27 HH TYR 27 9.703 5.485 -1.894 718 HB2 TYR 27 HB2 TYR 27 5.078 5.328 2.444 719 HB3 TYR 27 HB3 TYR 27 3.991 5.965 1.210 720 H THR 28 H THR 28 2.890 8.743 1.653 721 HA THR 28 HA THR 28 1.341 8.287 4.082 722 HB THR 28 HB THR 28 0.222 10.495 3.518 723 HG1 THR 28 HG1 THR 28 0.787 11.459 1.751 724 HG21 THR 28 HG21 THR 28 3.207 10.542 4.033 725 HG22 THR 28 HG22 THR 28 1.926 10.422 5.250 726 HG23 THR 28 HG23 THR 28 2.105 11.890 4.304 727 H ILE 29 H ILE 29 -0.521 7.198 3.839 728 HA ILE 29 HA ILE 29 -1.923 7.455 1.285 729 HB ILE 29 HB ILE 29 -1.556 4.912 2.883 730 HG12 ILE 29 HG12 ILE 29 -0.810 5.680 0.051 731 HG13 ILE 29 HG13 ILE 29 0.297 5.463 1.400 732 HG21 ILE 29 HG21 ILE 29 -3.030 3.806 1.223 733 HG22 ILE 29 HG22 ILE 29 -3.368 5.370 0.488 734 HG23 ILE 29 HG23 ILE 29 -3.899 5.040 2.135 735 HD11 ILE 29 HD11 ILE 29 0.359 3.575 -0.095 736 HD12 ILE 29 HD12 ILE 29 -1.381 3.353 0.100 737 HD13 ILE 29 HD13 ILE 29 -0.310 3.091 1.469 738 H THR 30 H THR 30 -3.897 8.161 1.432 739 HA THR 30 HA THR 30 -5.274 8.112 4.043 740 HB THR 30 HB THR 30 -4.698 10.385 3.088 741 HG1 THR 30 HG1 THR 30 -6.592 11.227 3.598 742 HG21 THR 30 HG21 THR 30 -6.621 9.599 0.890 743 HG22 THR 30 HG22 THR 30 -4.894 9.885 0.700 744 HG23 THR 30 HG23 THR 30 -5.965 11.218 1.136 745 H GLU 31 H GLU 31 -7.041 7.070 4.195 746 HA GLU 31 HA GLU 31 -8.580 6.369 1.830 747 HB2 GLU 31 HB2 GLU 31 -7.156 4.447 2.050 748 HB3 GLU 31 HB3 GLU 31 -7.440 4.364 3.777 749 HG2 GLU 31 HG2 GLU 31 -8.625 2.614 2.481 750 HG3 GLU 31 HG3 GLU 31 -9.684 3.642 3.446 751 H GLY 32 H GLY 32 -10.544 7.022 2.230 752 HA2 GLY 32 HA2 GLY 32 -12.565 7.262 3.319 753 HA3 GLY 32 HA3 GLY 32 -11.920 6.289 4.632 754 H SER 33 H SER 33 -9.991 7.512 5.691 755 HA SER 33 HA SER 33 -10.041 10.283 5.972 756 HG SER 33 HG SER 33 -11.506 11.587 7.807 757 HB2 SER 33 HB2 SER 33 -12.294 9.824 6.938 758 HB3 SER 33 HB3 SER 33 -11.540 8.819 8.168 759 H LEU 34 H LEU 34 -9.113 7.054 7.215 760 HA LEU 34 HA LEU 34 -7.238 8.154 9.062 761 HG LEU 34 HG LEU 34 -6.498 4.917 7.162 762 HB2 LEU 34 HB2 LEU 34 -6.367 5.896 9.451 763 HB3 LEU 34 HB3 LEU 34 -8.109 5.848 9.539 764 HD11 LEU 34 HD11 LEU 34 -6.884 2.653 8.061 765 HD12 LEU 34 HD12 LEU 34 -7.616 3.355 9.501 766 HD13 LEU 34 HD13 LEU 34 -5.906 3.626 9.159 767 HD21 LEU 34 HD21 LEU 34 -8.870 5.436 6.743 768 HD22 LEU 34 HD22 LEU 34 -9.330 4.307 8.016 769 HD23 LEU 34 HD23 LEU 34 -8.496 3.745 6.549 770 H ARG 35 H ARG 35 -5.110 8.319 8.809 771 HA ARG 35 HA ARG 35 -4.138 7.933 6.075 772 HE ARG 35 HE ARG 35 -4.403 11.994 8.417 773 HB2 ARG 35 HB2 ARG 35 -3.421 10.155 7.988 774 HB3 ARG 35 HB3 ARG 35 -2.677 9.890 6.419 775 HG2 ARG 35 HG2 ARG 35 -4.802 10.257 5.316 776 HG3 ARG 35 HG3 ARG 35 -5.593 10.455 6.877 777 HD2 ARG 35 HD2 ARG 35 -3.400 12.183 5.777 778 HD3 ARG 35 HD3 ARG 35 -5.122 12.574 5.802 779 HH11 ARG 35 HH11 ARG 35 -3.590 14.459 6.019 780 HH12 ARG 35 HH12 ARG 35 -3.260 15.655 7.183 781 HH21 ARG 35 HH21 ARG 35 -3.966 13.519 9.923 782 HH22 ARG 35 HH22 ARG 35 -3.431 15.114 9.535 783 H ALA 36 H ALA 36 -2.583 6.576 5.920 784 HA ALA 36 HA ALA 36 -1.155 5.814 8.358 785 HB1 ALA 36 HB1 ALA 36 -2.399 4.020 7.278 786 HB2 ALA 36 HB2 ALA 36 -0.659 3.720 7.190 787 HB3 ALA 36 HB3 ALA 36 -1.526 4.317 5.774 788 H VAL 37 H VAL 37 0.903 6.138 8.505 789 HA VAL 37 HA VAL 37 2.357 7.080 6.118 790 HB VAL 37 HB VAL 37 2.997 7.767 9.006 791 HG11 VAL 37 HG11 VAL 37 4.619 9.347 8.051 792 HG12 VAL 37 HG12 VAL 37 4.231 8.760 6.432 793 HG13 VAL 37 HG13 VAL 37 4.994 7.683 7.603 794 HG21 VAL 37 HG21 VAL 37 0.969 8.891 8.211 795 HG22 VAL 37 HG22 VAL 37 1.900 9.437 6.805 796 HG23 VAL 37 HG23 VAL 37 2.321 10.036 8.405 797 H ILE 38 H ILE 38 3.944 5.860 5.439 798 HA ILE 38 HA ILE 38 4.913 3.699 7.091 799 HB ILE 38 HB ILE 38 4.795 4.264 4.145 800 HG12 ILE 38 HG12 ILE 38 3.741 1.974 5.778 801 HG13 ILE 38 HG13 ILE 38 2.811 3.386 5.287 802 HG21 ILE 38 HG21 ILE 38 6.258 1.979 5.453 803 HG22 ILE 38 HG22 ILE 38 6.979 3.303 4.529 804 HG23 ILE 38 HG23 ILE 38 5.910 2.159 3.724 805 HD11 ILE 38 HD11 ILE 38 2.937 2.853 3.099 806 HD12 ILE 38 HD12 ILE 38 2.476 1.369 3.899 807 HD13 ILE 38 HD13 ILE 38 4.150 1.560 3.305 808 H PHE 39 H PHE 39 6.763 4.041 8.035 809 HA PHE 39 HA PHE 39 8.694 5.918 6.876 810 HD1 PHE 39 HD1 PHE 39 9.253 8.203 8.737 811 HD2 PHE 39 HD2 PHE 39 6.363 5.500 10.298 812 HE1 PHE 39 HE1 PHE 39 7.910 10.106 9.529 813 HE2 PHE 39 HE2 PHE 39 5.013 7.397 11.086 814 HZ PHE 39 HZ PHE 39 5.782 9.701 10.705 815 HB2 PHE 39 HB2 PHE 39 8.526 4.744 9.660 816 HB3 PHE 39 HB3 PHE 39 9.776 5.841 9.100 817 H ILE 40 H ILE 40 10.081 5.009 5.707 818 HA ILE 40 HA ILE 40 10.881 2.253 6.170 819 HB ILE 40 HB ILE 40 11.833 4.238 4.106 820 HG12 ILE 40 HG12 ILE 40 9.456 3.855 3.607 821 HG13 ILE 40 HG13 ILE 40 10.438 2.923 2.507 822 HG21 ILE 40 HG21 ILE 40 12.657 2.242 2.886 823 HG22 ILE 40 HG22 ILE 40 12.254 1.278 4.324 824 HG23 ILE 40 HG23 ILE 40 13.463 2.547 4.424 825 HD11 ILE 40 HD11 ILE 40 9.924 0.880 3.638 826 HD12 ILE 40 HD12 ILE 40 8.453 1.807 3.309 827 HD13 ILE 40 HD13 ILE 40 9.106 1.796 4.931 828 H THR 41 H THR 41 12.488 1.876 7.545 829 HA THR 41 HA THR 41 14.426 4.028 8.019 830 HB THR 41 HB THR 41 14.274 3.521 10.459 831 HG1 THR 41 HG1 THR 41 12.221 1.880 9.484 832 HG21 THR 41 HG21 THR 41 11.701 4.489 9.189 833 HG22 THR 41 HG22 THR 41 13.107 5.491 9.539 834 HG23 THR 41 HG23 THR 41 12.183 4.775 10.861 835 H LYS 42 H LYS 42 16.324 3.336 9.092 836 HA LYS 42 HA LYS 42 17.623 1.032 8.274 837 HB2 LYS 42 HB2 LYS 42 19.349 1.570 9.906 838 HB3 LYS 42 HB3 LYS 42 18.755 3.057 9.197 839 HG2 LYS 42 HG2 LYS 42 17.899 2.003 11.906 840 HG3 LYS 42 HG3 LYS 42 19.181 3.180 11.664 841 HD2 LYS 42 HD2 LYS 42 17.593 4.793 10.792 842 HD3 LYS 42 HD3 LYS 42 16.315 3.580 10.790 843 HE2 LYS 42 HE2 LYS 42 16.063 5.094 12.676 844 HE3 LYS 42 HE3 LYS 42 16.399 3.448 13.194 845 HZ1 LYS 42 HZ1 LYS 42 18.705 4.088 13.624 846 HZ2 LYS 42 HZ2 LYS 42 17.662 5.098 14.467 847 HZ3 LYS 42 HZ3 LYS 42 18.417 5.640 13.074 848 H ARG 43 H ARG 43 15.369 1.425 10.812 849 HA ARG 43 HA ARG 43 16.126 -0.945 12.319 850 HE ARG 43 HE ARG 43 12.647 -1.111 16.259 851 HB2 ARG 43 HB2 ARG 43 15.402 1.073 13.500 852 HB3 ARG 43 HB3 ARG 43 13.884 1.064 12.636 853 HG2 ARG 43 HG2 ARG 43 13.231 -0.992 13.802 854 HG3 ARG 43 HG3 ARG 43 14.782 -1.013 14.647 855 HD2 ARG 43 HD2 ARG 43 14.264 1.155 15.652 856 HD3 ARG 43 HD3 ARG 43 12.726 1.191 14.802 857 HH11 ARG 43 HH11 ARG 43 13.193 2.290 17.057 858 HH12 ARG 43 HH12 ARG 43 12.495 2.180 18.610 859 HH21 ARG 43 HH21 ARG 43 11.669 -1.243 18.368 860 HH22 ARG 43 HH22 ARG 43 11.570 0.125 19.369 861 H GLY 44 H GLY 44 14.180 -0.094 9.686 862 HA2 GLY 44 HA2 GLY 44 13.340 -2.087 8.484 863 HA3 GLY 44 HA3 GLY 44 12.537 -2.511 9.998 864 H LEU 45 H LEU 45 10.490 -2.053 9.983 865 HA LEU 45 HA LEU 45 9.560 0.180 8.290 866 HG LEU 45 HG LEU 45 6.597 -0.336 8.909 867 HB2 LEU 45 HB2 LEU 45 8.713 -2.012 7.584 868 HB3 LEU 45 HB3 LEU 45 8.115 -2.323 9.195 869 HD11 LEU 45 HD11 LEU 45 7.509 -0.540 6.078 870 HD12 LEU 45 HD12 LEU 45 7.697 0.829 7.174 871 HD13 LEU 45 HD13 LEU 45 6.084 0.354 6.619 872 HD21 LEU 45 HD21 LEU 45 4.919 -1.533 7.553 873 HD22 LEU 45 HD22 LEU 45 5.661 -2.632 8.680 874 HD23 LEU 45 HD23 LEU 45 6.153 -2.638 6.989 875 H LYS 46 H LYS 46 8.269 1.702 9.233 876 HA LYS 46 HA LYS 46 6.985 1.001 11.693 877 HB2 LYS 46 HB2 LYS 46 8.939 2.294 12.458 878 HB3 LYS 46 HB3 LYS 46 8.496 3.621 11.387 879 HG2 LYS 46 HG2 LYS 46 6.452 3.998 12.630 880 HG3 LYS 46 HG3 LYS 46 6.764 2.584 13.629 881 HD2 LYS 46 HD2 LYS 46 8.715 3.590 14.489 882 HD3 LYS 46 HD3 LYS 46 8.461 5.045 13.472 883 HE2 LYS 46 HE2 LYS 46 6.332 5.413 14.672 884 HE3 LYS 46 HE3 LYS 46 6.650 3.987 15.645 885 HZ1 LYS 46 HZ1 LYS 46 8.627 5.120 16.549 886 HZ2 LYS 46 HZ2 LYS 46 7.234 6.004 16.876 887 HZ3 LYS 46 HZ3 LYS 46 8.288 6.479 15.651 888 H VAL 47 H VAL 47 5.096 1.961 11.938 889 HA VAL 47 HA VAL 47 4.168 3.456 9.610 890 HB VAL 47 HB VAL 47 3.609 1.044 9.363 891 HG11 VAL 47 HG11 VAL 47 1.960 1.514 11.822 892 HG12 VAL 47 HG12 VAL 47 3.285 0.361 11.624 893 HG13 VAL 47 HG13 VAL 47 1.764 0.143 10.743 894 HG21 VAL 47 HG21 VAL 47 2.255 2.718 8.231 895 HG22 VAL 47 HG22 VAL 47 1.247 2.901 9.664 896 HG23 VAL 47 HG23 VAL 47 1.239 1.382 8.766 897 H CYS 48 H CYS 48 2.734 4.952 10.048 898 HA CYS 48 HA CYS 48 1.756 5.104 12.798 899 HB2 CYS 48 HB2 CYS 48 2.703 7.334 11.029 900 HB3 CYS 48 HB3 CYS 48 1.616 7.622 12.383 901 H ALA 49 H ALA 49 -0.311 5.408 13.110 902 HA ALA 49 HA ALA 49 -1.906 5.676 10.671 903 HB1 ALA 49 HB1 ALA 49 -3.669 4.562 11.918 904 HB2 ALA 49 HB2 ALA 49 -2.604 4.471 13.329 905 HB3 ALA 49 HB3 ALA 49 -2.181 3.612 11.853 906 H ASP 50 H ASP 50 -2.876 7.587 10.548 907 HA ASP 50 HA ASP 50 -3.338 9.191 12.916 908 HB2 ASP 50 HB2 ASP 50 -2.133 10.291 11.101 909 HB3 ASP 50 HB3 ASP 50 -3.438 9.911 9.987 910 HA PRO 51 HA PRO 51 -7.570 7.984 13.565 911 HB2 PRO 51 HB2 PRO 51 -7.557 10.951 13.866 912 HB3 PRO 51 HB3 PRO 51 -8.436 9.781 14.839 913 HG2 PRO 51 HG2 PRO 51 -6.180 10.724 15.746 914 HG3 PRO 51 HG3 PRO 51 -6.452 8.973 15.830 915 HD2 PRO 51 HD2 PRO 51 -4.660 10.518 14.052 916 HD3 PRO 51 HD3 PRO 51 -4.508 8.851 14.647 917 H GLN 52 H GLN 52 -9.273 7.698 12.277 918 HA GLN 52 HA GLN 52 -9.744 9.132 9.914 919 HB2 GLN 52 HB2 GLN 52 -11.560 7.353 11.542 920 HB3 GLN 52 HB3 GLN 52 -12.011 8.007 9.981 921 HG2 GLN 52 HG2 GLN 52 -10.120 6.794 8.971 922 HG3 GLN 52 HG3 GLN 52 -9.740 6.159 10.576 923 HE21 GLN 52 HE21 GLN 52 -12.078 6.077 7.957 924 HE22 GLN 52 HE22 GLN 52 -12.798 4.592 8.465 925 H ALA 53 H ALA 53 -9.498 11.228 10.941 926 HA ALA 53 HA ALA 53 -12.148 12.344 11.551 927 HB1 ALA 53 HB1 ALA 53 -11.148 13.849 13.224 928 HB2 ALA 53 HB2 ALA 53 -9.590 13.053 13.004 929 HB3 ALA 53 HB3 ALA 53 -10.949 12.159 13.688 930 H THR 54 H THR 54 -9.873 12.121 9.416 931 HA THR 54 HA THR 54 -9.106 14.848 8.920 932 HB THR 54 HB THR 54 -8.927 12.565 7.022 933 HG1 THR 54 HG1 THR 54 -7.591 11.590 8.390 934 HG21 THR 54 HG21 THR 54 -8.233 14.763 6.229 935 HG22 THR 54 HG22 THR 54 -6.829 13.701 6.355 936 HG23 THR 54 HG23 THR 54 -7.125 14.925 7.591 937 H TRP 55 H TRP 55 -10.162 16.158 7.506 938 HA TRP 55 HA TRP 55 -12.536 15.157 6.245 939 HD1 TRP 55 HD1 TRP 55 -11.423 17.704 9.058 940 HE1 TRP 55 HE1 TRP 55 -13.432 18.063 10.631 941 HE3 TRP 55 HE3 TRP 55 -15.215 17.250 5.666 942 HZ2 TRP 55 HZ2 TRP 55 -16.234 18.139 10.462 943 HZ3 TRP 55 HZ3 TRP 55 -17.532 17.481 6.454 944 HH2 TRP 55 HH2 TRP 55 -18.029 17.915 8.805 945 HB2 TRP 55 HB2 TRP 55 -11.241 17.835 6.357 946 HB3 TRP 55 HB3 TRP 55 -12.719 17.532 5.431 947 H VAL 56 H VAL 56 -11.757 13.752 4.784 948 HA VAL 56 HA VAL 56 -10.201 14.945 2.634 949 HB VAL 56 HB VAL 56 -8.804 13.288 3.813 950 HG11 VAL 56 HG11 VAL 56 -10.901 11.261 3.171 951 HG12 VAL 56 HG12 VAL 56 -10.485 11.898 4.762 952 HG13 VAL 56 HG13 VAL 56 -9.310 10.936 3.859 953 HG21 VAL 56 HG21 VAL 56 -8.169 11.875 1.910 954 HG22 VAL 56 HG22 VAL 56 -8.464 13.539 1.403 955 HG23 VAL 56 HG23 VAL 56 -9.676 12.295 1.098 956 H ARG 57 H ARG 57 -11.498 15.383 1.090 957 HA ARG 57 HA ARG 57 -13.289 13.288 0.142 958 HE ARG 57 HE ARG 57 -17.117 14.346 -2.382 959 HB2 ARG 57 HB2 ARG 57 -14.609 15.116 1.111 960 HB3 ARG 57 HB3 ARG 57 -13.783 16.277 0.088 961 HG2 ARG 57 HG2 ARG 57 -16.001 15.801 -0.771 962 HG3 ARG 57 HG3 ARG 57 -14.771 15.216 -1.890 963 HD2 ARG 57 HD2 ARG 57 -15.076 12.946 -1.051 964 HD3 ARG 57 HD3 ARG 57 -16.265 13.524 0.113 965 HH11 ARG 57 HH11 ARG 57 -16.640 11.249 -0.717 966 HH12 ARG 57 HH12 ARG 57 -17.808 10.427 -1.635 967 HH21 ARG 57 HH21 ARG 57 -18.697 13.245 -3.603 968 HH22 ARG 57 HH22 ARG 57 -19.027 11.590 -3.342 969 H ASP 58 H ASP 58 -11.881 12.490 -1.261 970 HA ASP 58 HA ASP 58 -11.796 13.462 -3.831 971 HB2 ASP 58 HB2 ASP 58 -10.124 15.110 -3.076 972 HB3 ASP 58 HB3 ASP 58 -9.152 13.814 -2.387 973 H VAL 59 H VAL 59 -12.475 11.410 -4.126 974 HA VAL 59 HA VAL 59 -10.373 9.420 -3.929 975 HB VAL 59 HB VAL 59 -12.123 7.720 -3.647 976 HG11 VAL 59 HG11 VAL 59 -10.988 8.552 -1.669 977 HG12 VAL 59 HG12 VAL 59 -12.675 8.215 -1.289 978 HG13 VAL 59 HG13 VAL 59 -12.143 9.880 -1.539 979 HG21 VAL 59 HG21 VAL 59 -14.032 8.888 -4.620 980 HG22 VAL 59 HG22 VAL 59 -14.015 10.050 -3.293 981 HG23 VAL 59 HG23 VAL 59 -14.410 8.362 -2.978 982 H VAL 60 H VAL 60 -10.400 7.869 -5.616 983 HA VAL 60 HA VAL 60 -11.684 8.929 -7.979 984 HB VAL 60 HB VAL 60 -9.283 9.020 -8.236 985 HG11 VAL 60 HG11 VAL 60 -9.195 6.075 -7.638 986 HG12 VAL 60 HG12 VAL 60 -8.569 7.379 -6.631 987 HG13 VAL 60 HG13 VAL 60 -7.826 7.042 -8.196 988 HG21 VAL 60 HG21 VAL 60 -10.407 6.760 -9.896 989 HG22 VAL 60 HG22 VAL 60 -8.942 7.667 -10.272 990 HG23 VAL 60 HG23 VAL 60 -10.505 8.480 -10.260 Start of MODEL 3 1 HA VAL 1 HA VAL 1 5.333 1.509 20.160 2 HB VAL 1 HB VAL 1 7.378 -0.445 21.259 3 H1 VAL 1 H1 VAL 1 5.998 2.120 22.398 4 H2 VAL 1 H2 VAL 1 5.639 0.552 22.938 5 H3 VAL 1 H3 VAL 1 4.430 1.525 22.346 6 HG11 VAL 1 HG11 VAL 1 8.357 -0.360 19.010 7 HG12 VAL 1 HG12 VAL 1 7.035 0.680 18.483 8 HG13 VAL 1 HG13 VAL 1 6.702 -0.972 18.990 9 HG21 VAL 1 HG21 VAL 1 9.069 1.256 20.726 10 HG22 VAL 1 HG22 VAL 1 7.931 1.831 21.944 11 HG23 VAL 1 HG23 VAL 1 7.788 2.380 20.273 12 H GLY 2 H GLY 2 5.888 -1.609 21.863 13 HA2 GLY 2 HA2 GLY 2 4.314 -3.301 22.123 14 HA3 GLY 2 HA3 GLY 2 3.278 -2.501 20.953 15 H SER 3 H SER 3 6.661 -3.133 20.375 16 HA SER 3 HA SER 3 5.931 -4.849 18.151 17 HG SER 3 HG SER 3 8.634 -3.798 20.016 18 HB2 SER 3 HB2 SER 3 8.377 -4.580 17.595 19 HB3 SER 3 HB3 SER 3 7.447 -3.083 17.602 20 H GLU 4 H GLU 4 6.428 -7.058 18.075 21 HA GLU 4 HA GLU 4 8.324 -8.156 19.914 22 HB2 GLU 4 HB2 GLU 4 6.192 -8.007 21.253 23 HB3 GLU 4 HB3 GLU 4 5.420 -9.028 20.053 24 HG2 GLU 4 HG2 GLU 4 6.063 -10.337 21.989 25 HG3 GLU 4 HG3 GLU 4 7.005 -10.825 20.582 26 H VAL 5 H VAL 5 8.949 -10.218 19.287 27 HA VAL 5 HA VAL 5 9.398 -11.977 17.964 28 HB VAL 5 HB VAL 5 6.656 -11.548 16.725 29 HG11 VAL 5 HG11 VAL 5 8.486 -13.946 16.560 30 HG12 VAL 5 HG12 VAL 5 8.087 -12.849 15.237 31 HG13 VAL 5 HG13 VAL 5 6.838 -13.874 15.945 32 HG21 VAL 5 HG21 VAL 5 5.966 -13.435 18.170 33 HG22 VAL 5 HG22 VAL 5 6.483 -12.032 19.094 34 HG23 VAL 5 HG23 VAL 5 7.562 -13.418 18.923 35 H SER 6 H SER 6 11.057 -11.603 16.724 36 HA SER 6 HA SER 6 10.751 -9.942 14.341 37 HG SER 6 HG SER 6 11.669 -8.942 16.228 38 HB2 SER 6 HB2 SER 6 13.245 -11.081 15.623 39 HB3 SER 6 HB3 SER 6 13.181 -9.883 14.328 40 H ASP 7 H ASP 7 10.048 -11.146 12.638 41 HA ASP 7 HA ASP 7 11.560 -13.483 11.868 42 HB2 ASP 7 HB2 ASP 7 9.723 -14.291 13.456 43 HB3 ASP 7 HB3 ASP 7 8.551 -13.712 12.287 44 H LYS 8 H LYS 8 9.808 -14.333 9.829 45 HA LYS 8 HA LYS 8 10.125 -12.105 7.977 46 HB2 LYS 8 HB2 LYS 8 9.343 -14.979 7.493 47 HB3 LYS 8 HB3 LYS 8 9.716 -13.780 6.262 48 HG2 LYS 8 HG2 LYS 8 12.003 -13.619 7.093 49 HG3 LYS 8 HG3 LYS 8 11.638 -14.814 8.333 50 HD2 LYS 8 HD2 LYS 8 11.117 -16.439 6.563 51 HD3 LYS 8 HD3 LYS 8 11.578 -15.241 5.351 52 HE2 LYS 8 HE2 LYS 8 13.823 -15.133 6.325 53 HE3 LYS 8 HE3 LYS 8 13.363 -16.343 7.515 54 HZ1 LYS 8 HZ1 LYS 8 13.534 -16.745 4.573 55 HZ2 LYS 8 HZ2 LYS 8 12.990 -17.916 5.678 56 HZ3 LYS 8 HZ3 LYS 8 14.567 -17.349 5.758 57 H ARG 9 H ARG 9 8.720 -10.837 7.558 58 HA ARG 9 HA ARG 9 6.867 -9.734 7.244 59 HE ARG 9 HE ARG 9 6.370 -12.210 2.949 60 HB2 ARG 9 HB2 ARG 9 5.214 -12.268 7.158 61 HB3 ARG 9 HB3 ARG 9 4.911 -10.628 6.560 62 HG2 ARG 9 HG2 ARG 9 6.517 -10.815 4.883 63 HG3 ARG 9 HG3 ARG 9 7.027 -12.398 5.490 64 HD2 ARG 9 HD2 ARG 9 4.859 -13.339 5.014 65 HD3 ARG 9 HD3 ARG 9 4.233 -11.756 4.567 66 HH11 ARG 9 HH11 ARG 9 3.242 -13.763 3.585 67 HH12 ARG 9 HH12 ARG 9 3.059 -14.342 1.988 68 HH21 ARG 9 HH21 ARG 9 6.082 -13.019 0.752 69 HH22 ARG 9 HH22 ARG 9 4.704 -13.932 0.361 70 H THR 10 H THR 10 6.883 -8.738 9.139 71 HA THR 10 HA THR 10 5.325 -9.951 11.236 72 HB THR 10 HB THR 10 6.272 -7.956 12.557 73 HG1 THR 10 HG1 THR 10 8.467 -7.582 11.337 74 HG21 THR 10 HG21 THR 10 8.419 -9.103 12.926 75 HG22 THR 10 HG22 THR 10 8.158 -10.044 11.460 76 HG23 THR 10 HG23 THR 10 7.079 -10.245 12.840 77 H CYS 11 H CYS 11 3.405 -9.094 11.864 78 HA CYS 11 HA CYS 11 2.525 -6.685 10.434 79 HB2 CYS 11 HB2 CYS 11 0.930 -9.196 10.991 80 HB3 CYS 11 HB3 CYS 11 0.308 -7.731 10.250 81 H VAL 12 H VAL 12 1.107 -5.438 11.624 82 HA VAL 12 HA VAL 12 0.212 -6.327 14.248 83 HB VAL 12 HB VAL 12 1.849 -3.756 13.957 84 HG11 VAL 12 HG11 VAL 12 0.370 -4.829 16.356 85 HG12 VAL 12 HG12 VAL 12 -0.034 -3.378 15.438 86 HG13 VAL 12 HG13 VAL 12 1.464 -3.444 16.367 87 HG21 VAL 12 HG21 VAL 12 2.356 -6.216 15.632 88 HG22 VAL 12 HG22 VAL 12 3.346 -4.761 15.645 89 HG23 VAL 12 HG23 VAL 12 3.248 -5.752 14.188 90 H SER 13 H SER 13 -1.725 -5.503 14.850 91 HA SER 13 HA SER 13 -2.876 -3.512 13.054 92 HG SER 13 HG SER 13 -3.867 -5.727 15.568 93 HB2 SER 13 HB2 SER 13 -5.093 -4.507 13.763 94 HB3 SER 13 HB3 SER 13 -4.073 -5.541 12.766 95 H LEU 14 H LEU 14 -3.656 -1.705 13.846 96 HA LEU 14 HA LEU 14 -3.196 -1.176 16.707 97 HG LEU 14 HG LEU 14 -1.186 1.424 14.898 98 HB2 LEU 14 HB2 LEU 14 -3.594 0.794 14.458 99 HB3 LEU 14 HB3 LEU 14 -3.147 1.164 16.104 100 HD11 LEU 14 HD11 LEU 14 0.288 -0.357 15.629 101 HD12 LEU 14 HD12 LEU 14 -1.144 -1.307 16.056 102 HD13 LEU 14 HD13 LEU 14 -0.838 0.217 16.878 103 HD21 LEU 14 HD21 LEU 14 -1.902 0.422 12.818 104 HD22 LEU 14 HD22 LEU 14 -1.748 -1.182 13.510 105 HD23 LEU 14 HD23 LEU 14 -0.300 -0.193 13.268 106 H THR 15 H THR 15 -4.941 -0.985 17.986 107 HA THR 15 HA THR 15 -7.447 -0.570 16.607 108 HB THR 15 HB THR 15 -8.518 -1.400 18.716 109 HG1 THR 15 HG1 THR 15 -7.292 -2.316 20.230 110 HG21 THR 15 HG21 THR 15 -6.577 -3.209 17.310 111 HG22 THR 15 HG22 THR 15 -8.210 -2.817 16.780 112 HG23 THR 15 HG23 THR 15 -7.960 -3.736 18.267 113 H THR 16 H THR 16 -8.029 1.335 16.494 114 HA THR 16 HA THR 16 -9.004 2.522 18.875 115 HB THR 16 HB THR 16 -6.779 3.750 18.642 116 HG1 THR 16 HG1 THR 16 -8.456 4.842 19.579 117 HG21 THR 16 HG21 THR 16 -6.610 3.704 16.190 118 HG22 THR 16 HG22 THR 16 -6.499 5.346 16.817 119 HG23 THR 16 HG23 THR 16 -8.001 4.782 16.089 120 H GLN 17 H GLN 17 -10.488 4.464 18.078 121 HA GLN 17 HA GLN 17 -12.034 3.046 16.129 122 HB2 GLN 17 HB2 GLN 17 -13.135 3.677 18.248 123 HB3 GLN 17 HB3 GLN 17 -12.917 5.372 17.830 124 HG2 GLN 17 HG2 GLN 17 -15.179 4.670 17.334 125 HG3 GLN 17 HG3 GLN 17 -14.321 5.054 15.842 126 HE21 GLN 17 HE21 GLN 17 -13.857 3.350 14.350 127 HE22 GLN 17 HE22 GLN 17 -14.582 1.805 14.540 128 H ARG 18 H ARG 18 -11.083 3.450 14.436 129 HA ARG 18 HA ARG 18 -11.015 6.142 13.337 130 HE ARG 18 HE ARG 18 -5.808 5.291 13.275 131 HB2 ARG 18 HB2 ARG 18 -10.094 3.482 12.380 132 HB3 ARG 18 HB3 ARG 18 -9.822 5.049 11.507 133 HG2 ARG 18 HG2 ARG 18 -8.493 5.706 13.581 134 HG3 ARG 18 HG3 ARG 18 -8.725 4.040 14.114 135 HD2 ARG 18 HD2 ARG 18 -7.573 3.221 12.173 136 HD3 ARG 18 HD3 ARG 18 -7.373 4.893 11.624 137 HH11 ARG 18 HH11 ARG 18 -7.066 2.032 13.572 138 HH12 ARG 18 HH12 ARG 18 -5.888 1.446 14.645 139 HH21 ARG 18 HH21 ARG 18 -4.162 4.577 14.818 140 HH22 ARG 18 HH22 ARG 18 -4.147 2.991 15.401 141 H LEU 19 H LEU 19 -12.203 6.498 11.390 142 HA LEU 19 HA LEU 19 -14.749 5.360 11.758 143 HG LEU 19 HG LEU 19 -15.172 8.993 10.974 144 HB2 LEU 19 HB2 LEU 19 -13.797 7.371 9.722 145 HB3 LEU 19 HB3 LEU 19 -15.465 6.890 9.938 146 HD11 LEU 19 HD11 LEU 19 -15.306 6.889 13.105 147 HD12 LEU 19 HD12 LEU 19 -16.643 7.504 12.138 148 HD13 LEU 19 HD13 LEU 19 -15.818 8.568 13.279 149 HD21 LEU 19 HD21 LEU 19 -13.591 9.432 12.804 150 HD22 LEU 19 HD22 LEU 19 -12.761 9.027 11.303 151 HD23 LEU 19 HD23 LEU 19 -12.905 7.824 12.586 152 HA PRO 20 HA PRO 20 -14.563 1.755 9.331 153 HB2 PRO 20 HB2 PRO 20 -17.383 2.468 8.746 154 HB3 PRO 20 HB3 PRO 20 -16.698 0.938 9.300 155 HG2 PRO 20 HG2 PRO 20 -17.955 2.524 11.004 156 HG3 PRO 20 HG3 PRO 20 -16.472 1.675 11.482 157 HD2 PRO 20 HD2 PRO 20 -16.867 4.547 10.800 158 HD3 PRO 20 HD3 PRO 20 -15.781 3.763 11.981 159 H VAL 21 H VAL 21 -14.191 1.160 7.401 160 HA VAL 21 HA VAL 21 -14.871 2.868 5.113 161 HB VAL 21 HB VAL 21 -12.575 0.889 5.322 162 HG11 VAL 21 HG11 VAL 21 -11.710 2.004 3.316 163 HG12 VAL 21 HG12 VAL 21 -13.147 3.024 3.276 164 HG13 VAL 21 HG13 VAL 21 -13.299 1.284 3.047 165 HG21 VAL 21 HG21 VAL 21 -12.147 2.659 6.897 166 HG22 VAL 21 HG22 VAL 21 -12.471 3.891 5.672 167 HG23 VAL 21 HG23 VAL 21 -11.062 2.831 5.524 168 H SER 22 H SER 22 -15.996 1.803 3.491 169 HA SER 22 HA SER 22 -17.438 -0.499 4.125 170 HG SER 22 HG SER 22 -18.117 1.726 3.486 171 HB2 SER 22 HB2 SER 22 -16.938 0.663 1.383 172 HB3 SER 22 HB3 SER 22 -18.258 -0.417 1.835 173 H ARG 23 H ARG 23 -14.882 -0.199 1.653 174 HA ARG 23 HA ARG 23 -14.658 -3.109 1.578 175 HE ARG 23 HE ARG 23 -12.020 -4.919 -1.856 176 HB2 ARG 23 HB2 ARG 23 -14.961 -1.945 -0.542 177 HB3 ARG 23 HB3 ARG 23 -13.557 -0.940 -0.219 178 HG2 ARG 23 HG2 ARG 23 -13.009 -2.616 -1.845 179 HG3 ARG 23 HG3 ARG 23 -12.140 -2.960 -0.353 180 HD2 ARG 23 HD2 ARG 23 -13.803 -4.649 0.225 181 HD3 ARG 23 HD3 ARG 23 -14.689 -4.296 -1.260 182 HH11 ARG 23 HH11 ARG 23 -14.982 -6.535 -0.783 183 HH12 ARG 23 HH12 ARG 23 -14.619 -8.012 -1.520 184 HH21 ARG 23 HH21 ARG 23 -11.483 -6.963 -2.841 185 HH22 ARG 23 HH22 ARG 23 -12.544 -8.278 -2.694 186 H ILE 24 H ILE 24 -12.698 -4.131 2.035 187 HA ILE 24 HA ILE 24 -10.843 -2.700 3.693 188 HB ILE 24 HB ILE 24 -10.730 -5.522 2.597 189 HG12 ILE 24 HG12 ILE 24 -12.688 -5.235 3.995 190 HG13 ILE 24 HG13 ILE 24 -11.511 -6.229 4.846 191 HG21 ILE 24 HG21 ILE 24 -9.088 -5.974 4.382 192 HG22 ILE 24 HG22 ILE 24 -9.092 -4.262 4.801 193 HG23 ILE 24 HG23 ILE 24 -8.511 -4.781 3.224 194 HD11 ILE 24 HD11 ILE 24 -12.115 -3.314 5.322 195 HD12 ILE 24 HD12 ILE 24 -10.880 -4.243 6.169 196 HD13 ILE 24 HD13 ILE 24 -12.581 -4.666 6.349 197 H LYS 25 H LYS 25 -9.240 -1.551 2.870 198 HA LYS 25 HA LYS 25 -8.363 -2.170 0.155 199 HB2 LYS 25 HB2 LYS 25 -7.965 0.351 1.768 200 HB3 LYS 25 HB3 LYS 25 -7.051 0.002 0.314 201 HG2 LYS 25 HG2 LYS 25 -8.851 1.477 -0.206 202 HG3 LYS 25 HG3 LYS 25 -9.159 -0.086 -0.948 203 HD2 LYS 25 HD2 LYS 25 -10.665 -0.617 0.938 204 HD3 LYS 25 HD3 LYS 25 -10.393 1.009 1.567 205 HE2 LYS 25 HE2 LYS 25 -11.471 0.333 -1.126 206 HE3 LYS 25 HE3 LYS 25 -12.462 0.810 0.263 207 HZ1 LYS 25 HZ1 LYS 25 -12.037 2.681 -1.254 208 HZ2 LYS 25 HZ2 LYS 25 -10.386 2.485 -1.070 209 HZ3 LYS 25 HZ3 LYS 25 -11.304 2.992 0.229 210 H THR 26 H THR 26 -6.343 -2.462 -0.412 211 HA THR 26 HA THR 26 -4.343 -2.892 1.724 212 HB THR 26 HB THR 26 -3.469 -4.773 0.341 213 HG1 THR 26 HG1 THR 26 -5.968 -4.763 -0.949 214 HG21 THR 26 HG21 THR 26 -4.886 -5.271 2.264 215 HG22 THR 26 HG22 THR 26 -5.184 -6.424 0.966 216 HG23 THR 26 HG23 THR 26 -6.327 -5.113 1.264 217 H TYR 27 H TYR 27 -2.585 -1.814 1.449 218 HA TYR 27 HA TYR 27 -1.960 -0.861 -1.237 219 HD1 TYR 27 HD1 TYR 27 -2.080 1.884 -2.113 220 HD2 TYR 27 HD2 TYR 27 -4.285 0.912 1.372 221 HE1 TYR 27 HE1 TYR 27 -4.047 2.910 -3.107 222 HE2 TYR 27 HE2 TYR 27 -6.289 1.943 0.405 223 HH TYR 27 HH TYR 27 -6.929 3.501 -1.247 224 HB2 TYR 27 HB2 TYR 27 -1.868 0.730 1.315 225 HB3 TYR 27 HB3 TYR 27 -0.967 1.202 -0.127 226 H THR 28 H THR 28 -0.050 -1.097 -1.929 227 HA THR 28 HA THR 28 1.801 -2.372 -0.074 228 HB THR 28 HB THR 28 2.702 -3.584 -2.084 229 HG1 THR 28 HG1 THR 28 1.359 -1.795 -3.375 230 HG21 THR 28 HG21 THR 28 0.811 -5.132 -2.348 231 HG22 THR 28 HG22 THR 28 -0.265 -3.945 -1.609 232 HG23 THR 28 HG23 THR 28 1.029 -4.672 -0.661 233 H ILE 29 H ILE 29 3.703 -1.425 0.176 234 HA ILE 29 HA ILE 29 4.654 0.371 -1.933 235 HB ILE 29 HB ILE 29 4.762 0.844 1.048 236 HG12 ILE 29 HG12 ILE 29 3.517 2.398 -1.230 237 HG13 ILE 29 HG13 ILE 29 2.669 1.470 -0.005 238 HG21 ILE 29 HG21 ILE 29 6.131 2.463 -1.125 239 HG22 ILE 29 HG22 ILE 29 6.936 1.452 0.070 240 HG23 ILE 29 HG23 ILE 29 6.062 2.890 0.589 241 HD11 ILE 29 HD11 ILE 29 2.516 3.820 0.467 242 HD12 ILE 29 HD12 ILE 29 4.280 3.959 0.430 243 HD13 ILE 29 HD13 ILE 29 3.515 3.008 1.690 244 H THR 30 H THR 30 6.518 -0.171 -2.722 245 HA THR 30 HA THR 30 8.245 -1.906 -1.155 246 HB THR 30 HB THR 30 7.560 -2.939 -3.259 247 HG1 THR 30 HG1 THR 30 10.110 -2.198 -4.014 248 HG21 THR 30 HG21 THR 30 8.705 -0.502 -4.562 249 HG22 THR 30 HG22 THR 30 7.004 -0.961 -4.555 250 HG23 THR 30 HG23 THR 30 8.183 -1.949 -5.444 251 H GLU 31 H GLU 31 9.996 -1.034 -0.413 252 HA GLU 31 HA GLU 31 11.175 1.255 -1.792 253 HB2 GLU 31 HB2 GLU 31 9.595 2.202 -0.172 254 HB3 GLU 31 HB3 GLU 31 10.406 1.345 1.123 255 HG2 GLU 31 HG2 GLU 31 11.009 3.720 1.016 256 HG3 GLU 31 HG3 GLU 31 12.399 2.655 0.806 257 H GLY 32 H GLY 32 13.105 0.515 -2.222 258 HA2 GLY 32 HA2 GLY 32 15.311 0.010 -1.806 259 HA3 GLY 32 HA3 GLY 32 14.955 0.088 -0.088 260 H SER 33 H SER 33 13.532 -1.802 0.633 261 HA SER 33 HA SER 33 14.126 -4.326 -0.700 262 HG SER 33 HG SER 33 16.237 -3.402 -0.478 263 HB2 SER 33 HB2 SER 33 15.340 -3.750 2.011 264 HB3 SER 33 HB3 SER 33 15.387 -5.301 1.169 265 H LEU 34 H LEU 34 11.761 -2.658 0.754 266 HA LEU 34 HA LEU 34 10.800 -5.106 2.037 267 HG LEU 34 HG LEU 34 8.710 -2.195 2.971 268 HB2 LEU 34 HB2 LEU 34 9.967 -4.113 3.949 269 HB3 LEU 34 HB3 LEU 34 11.444 -3.224 3.691 270 HD11 LEU 34 HD11 LEU 34 8.993 -0.743 4.915 271 HD12 LEU 34 HD12 LEU 34 10.472 -1.597 5.333 272 HD13 LEU 34 HD13 LEU 34 8.928 -2.448 5.365 273 HD21 LEU 34 HD21 LEU 34 10.560 -1.253 1.654 274 HD22 LEU 34 HD22 LEU 34 11.354 -0.754 3.153 275 HD23 LEU 34 HD23 LEU 34 9.785 -0.076 2.697 276 H ARG 35 H ARG 35 8.844 -5.689 1.654 277 HA ARG 35 HA ARG 35 7.116 -3.933 0.074 278 HE ARG 35 HE ARG 35 5.217 -5.966 -1.931 279 HB2 ARG 35 HB2 ARG 35 6.874 -6.831 0.916 280 HB3 ARG 35 HB3 ARG 35 5.689 -5.973 -0.059 281 HG2 ARG 35 HG2 ARG 35 8.553 -6.497 -0.868 282 HG3 ARG 35 HG3 ARG 35 7.143 -7.439 -1.361 283 HD2 ARG 35 HD2 ARG 35 7.554 -4.518 -1.922 284 HD3 ARG 35 HD3 ARG 35 7.796 -5.831 -3.076 285 HH11 ARG 35 HH11 ARG 35 7.044 -4.264 -4.439 286 HH12 ARG 35 HH12 ARG 35 5.623 -3.785 -5.277 287 HH21 ARG 35 HH21 ARG 35 3.365 -5.364 -3.118 288 HH22 ARG 35 HH22 ARG 35 3.507 -4.402 -4.526 289 H ALA 36 H ALA 36 5.943 -2.590 1.333 290 HA ALA 36 HA ALA 36 5.107 -3.517 3.983 291 HB1 ALA 36 HB1 ALA 36 4.704 -1.147 4.462 292 HB2 ALA 36 HB2 ALA 36 5.181 -0.729 2.817 293 HB3 ALA 36 HB3 ALA 36 6.363 -1.418 3.932 294 H VAL 37 H VAL 37 3.037 -3.931 4.350 295 HA VAL 37 HA VAL 37 1.117 -3.111 2.275 296 HB VAL 37 HB VAL 37 0.956 -5.645 3.943 297 HG11 VAL 37 HG11 VAL 37 -0.977 -6.206 2.545 298 HG12 VAL 37 HG12 VAL 37 -0.853 -4.643 1.739 299 HG13 VAL 37 HG13 VAL 37 -1.257 -4.719 3.454 300 HG21 VAL 37 HG21 VAL 37 1.267 -6.806 1.825 301 HG22 VAL 37 HG22 VAL 37 2.655 -5.740 2.163 302 HG23 VAL 37 HG23 VAL 37 1.378 -5.239 1.036 303 H ILE 38 H ILE 38 -0.455 -1.883 2.884 304 HA ILE 38 HA ILE 38 -1.062 -1.557 5.702 305 HB ILE 38 HB ILE 38 -1.340 0.159 3.257 306 HG12 ILE 38 HG12 ILE 38 0.017 0.634 5.897 307 HG13 ILE 38 HG13 ILE 38 0.806 0.105 4.413 308 HG21 ILE 38 HG21 ILE 38 -3.415 0.405 4.470 309 HG22 ILE 38 HG22 ILE 38 -2.432 1.861 4.594 310 HG23 ILE 38 HG23 ILE 38 -2.532 0.744 5.959 311 HD11 ILE 38 HD11 ILE 38 -0.732 2.665 4.628 312 HD12 ILE 38 HD12 ILE 38 0.316 2.059 3.338 313 HD13 ILE 38 HD13 ILE 38 1.008 2.522 4.927 314 H PHE 39 H PHE 39 -2.853 -2.462 6.375 315 HA PHE 39 HA PHE 39 -4.971 -3.131 4.461 316 HD1 PHE 39 HD1 PHE 39 -5.552 -6.076 4.389 317 HD2 PHE 39 HD2 PHE 39 -2.296 -5.033 6.909 318 HE1 PHE 39 HE1 PHE 39 -4.263 -7.958 3.487 319 HE2 PHE 39 HE2 PHE 39 -0.998 -6.912 6.014 320 HZ PHE 39 HZ PHE 39 -1.980 -8.382 4.300 321 HB2 PHE 39 HB2 PHE 39 -4.469 -4.121 7.268 322 HB3 PHE 39 HB3 PHE 39 -5.846 -4.580 6.283 323 H ILE 40 H ILE 40 -6.460 -1.755 4.346 324 HA ILE 40 HA ILE 40 -6.993 0.058 6.550 325 HB ILE 40 HB ILE 40 -8.079 -0.082 3.750 326 HG12 ILE 40 HG12 ILE 40 -5.765 0.582 3.622 327 HG13 ILE 40 HG13 ILE 40 -6.752 2.011 3.402 328 HG21 ILE 40 HG21 ILE 40 -9.752 0.892 5.034 329 HG22 ILE 40 HG22 ILE 40 -8.959 2.215 4.191 330 HG23 ILE 40 HG23 ILE 40 -8.633 1.900 5.919 331 HD11 ILE 40 HD11 ILE 40 -6.273 2.707 5.714 332 HD12 ILE 40 HD12 ILE 40 -4.811 2.442 4.759 333 HD13 ILE 40 HD13 ILE 40 -5.308 1.232 5.906 334 H THR 41 H THR 41 -8.432 -0.565 8.001 335 HA THR 41 HA THR 41 -10.708 -2.185 7.104 336 HB THR 41 HB THR 41 -10.578 -3.508 9.172 337 HG1 THR 41 HG1 THR 41 -8.410 -1.769 9.738 338 HG21 THR 41 HG21 THR 41 -7.903 -3.458 7.751 339 HG22 THR 41 HG22 THR 41 -9.295 -4.417 7.259 340 HG23 THR 41 HG23 THR 41 -8.477 -4.767 8.780 341 H LYS 42 H LYS 42 -12.480 -2.107 8.828 342 HA LYS 42 HA LYS 42 -12.867 0.588 9.803 343 HB2 LYS 42 HB2 LYS 42 -15.001 -0.298 10.629 344 HB3 LYS 42 HB3 LYS 42 -14.761 -0.671 8.932 345 HG2 LYS 42 HG2 LYS 42 -14.514 -2.913 9.276 346 HG3 LYS 42 HG3 LYS 42 -13.851 -2.702 10.891 347 HD2 LYS 42 HD2 LYS 42 -16.738 -2.250 10.155 348 HD3 LYS 42 HD3 LYS 42 -16.103 -3.743 10.865 349 HE2 LYS 42 HE2 LYS 42 -15.254 -2.418 12.768 350 HE3 LYS 42 HE3 LYS 42 -16.006 -0.990 12.104 351 HZ1 LYS 42 HZ1 LYS 42 -18.172 -2.128 12.249 352 HZ2 LYS 42 HZ2 LYS 42 -17.454 -1.958 13.769 353 HZ3 LYS 42 HZ3 LYS 42 -17.451 -3.440 12.973 354 H ARG 43 H ARG 43 -11.194 -2.009 10.796 355 HA ARG 43 HA ARG 43 -11.843 -1.861 13.640 356 HE ARG 43 HE ARG 43 -10.029 -5.272 16.372 357 HB2 ARG 43 HB2 ARG 43 -11.869 -4.057 12.302 358 HB3 ARG 43 HB3 ARG 43 -10.147 -3.880 12.101 359 HG2 ARG 43 HG2 ARG 43 -11.379 -4.070 14.838 360 HG3 ARG 43 HG3 ARG 43 -11.094 -5.507 13.879 361 HD2 ARG 43 HD2 ARG 43 -8.714 -4.980 13.803 362 HD3 ARG 43 HD3 ARG 43 -9.005 -3.505 14.727 363 HH11 ARG 43 HH11 ARG 43 -7.051 -5.641 14.519 364 HH12 ARG 43 HH12 ARG 43 -6.186 -6.409 15.759 365 HH21 ARG 43 HH21 ARG 43 -8.835 -6.367 18.096 366 HH22 ARG 43 HH22 ARG 43 -7.235 -6.837 17.845 367 H GLY 44 H GLY 44 -10.129 -0.303 11.531 368 HA2 GLY 44 HA2 GLY 44 -8.665 1.431 12.406 369 HA3 GLY 44 HA3 GLY 44 -7.886 0.184 13.367 370 H LEU 45 H LEU 45 -5.889 0.405 12.627 371 HA LEU 45 HA LEU 45 -5.407 0.061 9.727 372 HG LEU 45 HG LEU 45 -2.360 0.124 10.034 373 HB2 LEU 45 HB2 LEU 45 -4.500 2.171 10.580 374 HB3 LEU 45 HB3 LEU 45 -3.639 1.331 11.848 375 HD11 LEU 45 HD11 LEU 45 -3.772 0.445 8.173 376 HD12 LEU 45 HD12 LEU 45 -2.197 1.185 7.859 377 HD13 LEU 45 HD13 LEU 45 -3.579 2.199 8.272 378 HD21 LEU 45 HD21 LEU 45 -1.931 3.117 10.155 379 HD22 LEU 45 HD22 LEU 45 -0.775 1.944 9.577 380 HD23 LEU 45 HD23 LEU 45 -1.211 1.932 11.263 381 H LYS 46 H LYS 46 -4.295 -1.712 9.116 382 HA LYS 46 HA LYS 46 -2.609 -2.935 11.116 383 HB2 LYS 46 HB2 LYS 46 -4.442 -4.477 10.942 384 HB3 LYS 46 HB3 LYS 46 -4.394 -4.445 9.186 385 HG2 LYS 46 HG2 LYS 46 -2.273 -5.575 9.154 386 HG3 LYS 46 HG3 LYS 46 -2.136 -5.456 10.905 387 HD2 LYS 46 HD2 LYS 46 -3.868 -6.900 11.240 388 HD3 LYS 46 HD3 LYS 46 -4.347 -6.941 9.513 389 HE2 LYS 46 HE2 LYS 46 -2.150 -7.987 9.052 390 HE3 LYS 46 HE3 LYS 46 -1.795 -7.950 10.777 391 HZ1 LYS 46 HZ1 LYS 46 -4.047 -9.436 9.538 392 HZ2 LYS 46 HZ2 LYS 46 -3.624 -9.444 11.167 393 HZ3 LYS 46 HZ3 LYS 46 -2.599 -10.108 10.029 394 H VAL 47 H VAL 47 -0.729 -3.693 10.445 395 HA VAL 47 HA VAL 47 0.033 -2.843 7.754 396 HB VAL 47 HB VAL 47 0.639 -1.175 9.512 397 HG11 VAL 47 HG11 VAL 47 2.623 -1.739 10.979 398 HG12 VAL 47 HG12 VAL 47 2.373 -3.407 10.512 399 HG13 VAL 47 HG13 VAL 47 1.108 -2.568 11.389 400 HG21 VAL 47 HG21 VAL 47 1.845 -1.239 7.409 401 HG22 VAL 47 HG22 VAL 47 2.906 -2.499 8.044 402 HG23 VAL 47 HG23 VAL 47 2.957 -0.872 8.731 403 H CYS 48 H CYS 48 1.464 -4.148 6.762 404 HA CYS 48 HA CYS 48 2.699 -6.278 8.348 405 HB2 CYS 48 HB2 CYS 48 1.322 -6.554 5.694 406 HB3 CYS 48 HB3 CYS 48 2.532 -7.709 6.236 407 H ALA 49 H ALA 49 4.769 -6.603 8.023 408 HA ALA 49 HA ALA 49 6.005 -5.090 5.809 409 HB1 ALA 49 HB1 ALA 49 7.194 -6.015 8.410 410 HB2 ALA 49 HB2 ALA 49 6.704 -4.371 8.013 411 HB3 ALA 49 HB3 ALA 49 8.042 -5.120 7.142 412 H ASP 50 H ASP 50 6.642 -6.414 4.252 413 HA ASP 50 HA ASP 50 7.693 -9.063 4.895 414 HB2 ASP 50 HB2 ASP 50 5.711 -9.349 3.584 415 HB3 ASP 50 HB3 ASP 50 6.175 -8.067 2.482 416 HA PRO 51 HA PRO 51 11.264 -6.892 3.196 417 HB2 PRO 51 HB2 PRO 51 13.135 -8.431 4.381 418 HB3 PRO 51 HB3 PRO 51 12.304 -7.130 5.242 419 HG2 PRO 51 HG2 PRO 51 11.833 -10.073 5.358 420 HG3 PRO 51 HG3 PRO 51 11.800 -8.881 6.666 421 HD2 PRO 51 HD2 PRO 51 9.555 -9.868 5.423 422 HD3 PRO 51 HD3 PRO 51 9.630 -8.295 6.235 423 H GLN 52 H GLN 52 12.043 -7.328 1.331 424 HA GLN 52 HA GLN 52 12.517 -8.362 -0.656 425 HB2 GLN 52 HB2 GLN 52 13.729 -10.397 1.193 426 HB3 GLN 52 HB3 GLN 52 14.167 -10.146 -0.493 427 HG2 GLN 52 HG2 GLN 52 14.938 -7.915 0.023 428 HG3 GLN 52 HG3 GLN 52 14.427 -8.107 1.688 429 HE21 GLN 52 HE21 GLN 52 16.803 -9.024 -0.686 430 HE22 GLN 52 HE22 GLN 52 17.912 -9.760 0.409 431 H ALA 53 H ALA 53 10.222 -8.785 -1.024 432 HA ALA 53 HA ALA 53 8.870 -11.143 -0.439 433 HB1 ALA 53 HB1 ALA 53 7.770 -9.192 -1.245 434 HB2 ALA 53 HB2 ALA 53 7.394 -10.574 -2.281 435 HB3 ALA 53 HB3 ALA 53 8.546 -9.347 -2.824 436 H THR 54 H THR 54 10.590 -10.268 -3.361 437 HA THR 54 HA THR 54 11.465 -12.888 -3.772 438 HB THR 54 HB THR 54 9.226 -13.314 -4.607 439 HG1 THR 54 HG1 THR 54 10.715 -14.341 -5.762 440 HG21 THR 54 HG21 THR 54 8.482 -11.035 -5.148 441 HG22 THR 54 HG22 THR 54 8.221 -12.108 -6.522 442 HG23 THR 54 HG23 THR 54 9.586 -10.991 -6.522 443 H TRP 55 H TRP 55 10.692 -9.896 -5.409 444 HA TRP 55 HA TRP 55 13.472 -9.368 -5.867 445 HD1 TRP 55 HD1 TRP 55 11.223 -11.956 -8.607 446 HE1 TRP 55 HE1 TRP 55 12.924 -13.798 -9.204 447 HE3 TRP 55 HE3 TRP 55 15.541 -9.426 -7.636 448 HZ2 TRP 55 HZ2 TRP 55 15.699 -14.133 -9.247 449 HZ3 TRP 55 HZ3 TRP 55 17.682 -10.586 -7.973 450 HH2 TRP 55 HH2 TRP 55 17.747 -12.893 -8.764 451 HB2 TRP 55 HB2 TRP 55 11.377 -9.492 -8.026 452 HB3 TRP 55 HB3 TRP 55 12.937 -8.685 -8.246 453 H VAL 56 H VAL 56 13.605 -7.493 -4.897 454 HA VAL 56 HA VAL 56 11.286 -5.793 -4.798 455 HB VAL 56 HB VAL 56 12.591 -6.032 -2.730 456 HG11 VAL 56 HG11 VAL 56 14.874 -4.780 -4.241 457 HG12 VAL 56 HG12 VAL 56 14.784 -6.433 -3.634 458 HG13 VAL 56 HG13 VAL 56 14.845 -5.082 -2.505 459 HG21 VAL 56 HG21 VAL 56 11.398 -3.946 -3.053 460 HG22 VAL 56 HG22 VAL 56 12.787 -3.257 -3.889 461 HG23 VAL 56 HG23 VAL 56 12.899 -3.645 -2.174 462 H ARG 57 H ARG 57 10.933 -4.124 -6.071 463 HA ARG 57 HA ARG 57 13.143 -3.358 -7.784 464 HE ARG 57 HE ARG 57 8.934 -4.620 -8.755 465 HB2 ARG 57 HB2 ARG 57 10.181 -3.078 -8.300 466 HB3 ARG 57 HB3 ARG 57 11.376 -2.214 -9.249 467 HG2 ARG 57 HG2 ARG 57 10.800 -4.115 -10.522 468 HG3 ARG 57 HG3 ARG 57 12.367 -4.473 -9.827 469 HD2 ARG 57 HD2 ARG 57 10.979 -6.434 -9.685 470 HD3 ARG 57 HD3 ARG 57 11.220 -5.799 -8.059 471 HH11 ARG 57 HH11 ARG 57 9.873 -8.027 -9.032 472 HH12 ARG 57 HH12 ARG 57 8.274 -8.601 -8.867 473 HH21 ARG 57 HH21 ARG 57 6.767 -5.447 -8.532 474 HH22 ARG 57 HH22 ARG 57 6.508 -7.133 -8.565 475 H ASP 58 H ASP 58 13.206 -1.110 -8.480 476 HA ASP 58 HA ASP 58 13.460 0.529 -6.101 477 HB2 ASP 58 HB2 ASP 58 15.192 0.283 -7.940 478 HB3 ASP 58 HB3 ASP 58 14.116 1.177 -8.986 479 H VAL 59 H VAL 59 10.924 -0.125 -7.896 480 HA VAL 59 HA VAL 59 8.911 0.766 -8.348 481 HB VAL 59 HB VAL 59 9.904 3.333 -7.074 482 HG11 VAL 59 HG11 VAL 59 7.084 2.457 -7.757 483 HG12 VAL 59 HG12 VAL 59 8.001 3.712 -8.579 484 HG13 VAL 59 HG13 VAL 59 7.508 3.938 -6.899 485 HG21 VAL 59 HG21 VAL 59 8.588 2.651 -5.113 486 HG22 VAL 59 HG22 VAL 59 9.879 1.507 -5.481 487 HG23 VAL 59 HG23 VAL 59 8.208 1.127 -5.915 488 H VAL 60 H VAL 60 8.666 0.815 -10.407 489 HA VAL 60 HA VAL 60 9.605 3.138 -11.908 490 HB VAL 60 HB VAL 60 11.326 1.401 -12.217 491 HG11 VAL 60 HG11 VAL 60 9.095 -0.307 -13.298 492 HG12 VAL 60 HG12 VAL 60 10.016 -0.586 -11.823 493 HG13 VAL 60 HG13 VAL 60 10.813 -0.696 -13.393 494 HG21 VAL 60 HG21 VAL 60 9.636 1.857 -14.674 495 HG22 VAL 60 HG22 VAL 60 11.316 1.320 -14.681 496 HG23 VAL 60 HG23 VAL 60 10.902 2.919 -14.062 497 HA VAL 1 HA VAL 1 0.622 -6.897 20.974 498 HB VAL 1 HB VAL 1 2.629 -4.717 21.622 499 H1 VAL 1 H1 VAL 1 2.979 -6.040 19.457 500 HG11 VAL 1 HG11 VAL 1 1.593 -4.687 23.842 501 HG12 VAL 1 HG12 VAL 1 0.404 -5.872 23.298 502 HG13 VAL 1 HG13 VAL 1 0.443 -4.270 22.569 503 HG21 VAL 1 HG21 VAL 1 2.378 -7.475 22.825 504 HG22 VAL 1 HG22 VAL 1 3.470 -6.205 23.376 505 HG23 VAL 1 HG23 VAL 1 3.680 -6.911 21.775 506 H GLY 2 H GLY 2 2.151 -3.937 19.771 507 HA2 GLY 2 HA2 GLY 2 1.329 -2.175 18.574 508 HA3 GLY 2 HA3 GLY 2 -0.100 -3.135 18.230 509 H SER 3 H SER 3 -1.690 -3.259 19.970 510 HA SER 3 HA SER 3 -2.215 -0.596 20.881 511 HG SER 3 HG SER 3 -5.049 -1.992 19.491 512 HB2 SER 3 HB2 SER 3 -3.869 -3.099 21.105 513 HB3 SER 3 HB3 SER 3 -4.415 -1.459 21.471 514 H GLU 4 H GLU 4 -0.707 -0.298 22.443 515 HA GLU 4 HA GLU 4 -1.569 -0.958 25.088 516 HB2 GLU 4 HB2 GLU 4 -0.061 -2.876 24.529 517 HB3 GLU 4 HB3 GLU 4 1.217 -1.728 24.158 518 HG2 GLU 4 HG2 GLU 4 1.493 -2.727 26.365 519 HG3 GLU 4 HG3 GLU 4 1.242 -0.983 26.457 520 H VAL 5 H VAL 5 -1.481 0.961 26.027 521 HA VAL 5 HA VAL 5 -1.235 3.169 26.253 522 HB VAL 5 HB VAL 5 1.694 2.691 25.511 523 HG11 VAL 5 HG11 VAL 5 2.158 4.754 26.762 524 HG12 VAL 5 HG12 VAL 5 0.432 4.976 27.037 525 HG13 VAL 5 HG13 VAL 5 1.080 5.059 25.399 526 HG21 VAL 5 HG21 VAL 5 0.377 2.722 28.221 527 HG22 VAL 5 HG22 VAL 5 2.110 2.588 27.927 528 HG23 VAL 5 HG23 VAL 5 1.021 1.304 27.391 529 H SER 6 H SER 6 -2.605 3.346 24.513 530 HA SER 6 HA SER 6 -1.312 4.322 22.091 531 HG SER 6 HG SER 6 -4.240 3.768 20.599 532 HB2 SER 6 HB2 SER 6 -2.278 2.123 21.681 533 HB3 SER 6 HB3 SER 6 -3.815 2.644 22.348 534 H ASP 7 H ASP 7 -2.585 5.757 20.881 535 HA ASP 7 HA ASP 7 -4.590 7.324 22.319 536 HB2 ASP 7 HB2 ASP 7 -2.296 8.399 22.543 537 HB3 ASP 7 HB3 ASP 7 -2.186 8.431 20.790 538 H LYS 8 H LYS 8 -4.848 9.150 20.028 539 HA LYS 8 HA LYS 8 -5.931 7.222 18.142 540 HB2 LYS 8 HB2 LYS 8 -6.258 10.214 18.189 541 HB3 LYS 8 HB3 LYS 8 -6.902 9.173 16.922 542 HG2 LYS 8 HG2 LYS 8 -8.193 7.949 18.664 543 HG3 LYS 8 HG3 LYS 8 -7.644 9.138 19.842 544 HD2 LYS 8 HD2 LYS 8 -8.766 10.902 18.617 545 HD3 LYS 8 HD3 LYS 8 -9.257 9.758 17.361 546 HE2 LYS 8 HE2 LYS 8 -10.534 8.495 19.048 547 HE3 LYS 8 HE3 LYS 8 -10.069 9.672 20.273 548 HZ1 LYS 8 HZ1 LYS 8 -11.764 10.195 17.873 549 HZ2 LYS 8 HZ2 LYS 8 -11.270 11.381 18.963 550 HZ3 LYS 8 HZ3 LYS 8 -12.278 10.144 19.461 551 H ARG 9 H ARG 9 -3.090 8.156 18.496 552 HA ARG 9 HA ARG 9 -2.728 7.323 15.730 553 HE ARG 9 HE ARG 9 -2.782 12.109 14.685 554 HB2 ARG 9 HB2 ARG 9 -0.816 9.053 17.217 555 HB3 ARG 9 HB3 ARG 9 -0.845 8.497 15.529 556 HG2 ARG 9 HG2 ARG 9 -2.713 9.716 14.997 557 HG3 ARG 9 HG3 ARG 9 -2.994 10.131 16.671 558 HD2 ARG 9 HD2 ARG 9 -1.042 11.533 16.785 559 HD3 ARG 9 HD3 ARG 9 -0.406 10.883 15.278 560 HH11 ARG 9 HH11 ARG 9 0.304 13.098 16.099 561 HH12 ARG 9 HH12 ARG 9 0.357 14.622 15.330 562 HH21 ARG 9 HH21 ARG 9 -2.705 14.185 13.600 563 HH22 ARG 9 HH22 ARG 9 -1.407 15.257 13.862 564 H THR 10 H THR 10 -2.134 5.378 15.904 565 HA THR 10 HA THR 10 -0.395 4.654 18.121 566 HB THR 10 HB THR 10 -1.789 2.676 16.358 567 HG1 THR 10 HG1 THR 10 -3.020 3.597 18.744 568 HG21 THR 10 HG21 THR 10 -1.738 1.398 18.457 569 HG22 THR 10 HG22 THR 10 -1.050 2.825 19.248 570 HG23 THR 10 HG23 THR 10 -0.123 2.000 17.996 571 H CYS 11 H CYS 11 1.674 4.215 17.547 572 HA CYS 11 HA CYS 11 2.185 3.585 14.725 573 HB2 CYS 11 HB2 CYS 11 4.033 4.984 16.697 574 HB3 CYS 11 HB3 CYS 11 4.370 4.635 15.013 575 H VAL 12 H VAL 12 3.716 1.968 14.429 576 HA VAL 12 HA VAL 12 4.929 0.687 16.762 577 HB VAL 12 HB VAL 12 3.205 -0.880 14.778 578 HG11 VAL 12 HG11 VAL 12 4.883 -1.910 17.069 579 HG12 VAL 12 HG12 VAL 12 5.220 -2.159 15.355 580 HG13 VAL 12 HG13 VAL 12 3.778 -2.871 16.092 581 HG21 VAL 12 HG21 VAL 12 1.877 -1.501 16.700 582 HG22 VAL 12 HG22 VAL 12 1.961 0.263 16.560 583 HG23 VAL 12 HG23 VAL 12 2.941 -0.577 17.756 584 H SER 13 H SER 13 6.847 -0.356 16.313 585 HA SER 13 HA SER 13 7.853 -0.117 13.596 586 HG SER 13 HG SER 13 9.125 -1.425 16.640 587 HB2 SER 13 HB2 SER 13 10.077 -0.407 14.748 588 HB3 SER 13 HB3 SER 13 9.210 1.036 15.251 589 H LEU 14 H LEU 14 8.446 -1.922 12.571 590 HA LEU 14 HA LEU 14 7.651 -4.444 13.828 591 HG LEU 14 HG LEU 14 5.728 -4.467 10.587 592 HB2 LEU 14 HB2 LEU 14 8.046 -3.716 10.938 593 HB3 LEU 14 HB3 LEU 14 7.761 -5.343 11.483 594 HD11 LEU 14 HD11 LEU 14 5.558 -5.943 12.436 595 HD12 LEU 14 HD12 LEU 14 4.231 -4.771 12.460 596 HD13 LEU 14 HD13 LEU 14 5.602 -4.594 13.569 597 HD21 LEU 14 HD21 LEU 14 6.159 -2.083 10.862 598 HD22 LEU 14 HD22 LEU 14 5.961 -2.240 12.604 599 HD23 LEU 14 HD23 LEU 14 4.579 -2.511 11.531 600 H THR 15 H THR 15 9.126 -5.755 14.489 601 HA THR 15 HA THR 15 11.839 -5.227 13.828 602 HB THR 15 HB THR 15 12.235 -7.114 15.417 603 HG1 THR 15 HG1 THR 15 9.957 -7.939 14.951 604 HG21 THR 15 HG21 THR 15 10.462 -4.872 16.397 605 HG22 THR 15 HG22 THR 15 12.213 -4.794 16.200 606 HG23 THR 15 HG23 THR 15 11.513 -5.871 17.407 607 H THR 16 H THR 16 12.498 -5.937 12.013 608 HA THR 16 HA THR 16 12.497 -8.738 11.510 609 HB THR 16 HB THR 16 10.442 -7.971 10.308 610 HG1 THR 16 HG1 THR 16 11.470 -9.657 9.377 611 HG21 THR 16 HG21 THR 16 10.635 -6.480 8.351 612 HG22 THR 16 HG22 THR 16 12.339 -6.225 8.728 613 HG23 THR 16 HG23 THR 16 11.098 -5.657 9.843 614 H GLN 17 H GLN 17 13.917 -8.861 9.229 615 HA GLN 17 HA GLN 17 16.225 -7.188 9.860 616 HB2 GLN 17 HB2 GLN 17 16.628 -9.558 10.304 617 HB3 GLN 17 HB3 GLN 17 16.126 -9.967 8.672 618 HG2 GLN 17 HG2 GLN 17 18.550 -10.040 8.888 619 HG3 GLN 17 HG3 GLN 17 18.058 -8.777 7.769 620 HE21 GLN 17 HE21 GLN 17 18.470 -6.625 8.299 621 HE22 GLN 17 HE22 GLN 17 19.447 -6.170 9.631 622 H ARG 18 H ARG 18 16.338 -5.616 8.494 623 HA ARG 18 HA ARG 18 15.934 -6.236 5.675 624 HE ARG 18 HE ARG 18 12.734 -2.228 6.918 625 HB2 ARG 18 HB2 ARG 18 15.248 -3.683 7.054 626 HB3 ARG 18 HB3 ARG 18 15.075 -4.027 5.319 627 HG2 ARG 18 HG2 ARG 18 13.471 -5.905 6.324 628 HG3 ARG 18 HG3 ARG 18 13.381 -4.730 7.639 629 HD2 ARG 18 HD2 ARG 18 12.800 -4.232 4.750 630 HD3 ARG 18 HD3 ARG 18 11.647 -4.241 6.081 631 HH11 ARG 18 HH11 ARG 18 13.442 -3.076 3.561 632 HH12 ARG 18 HH12 ARG 18 13.788 -1.461 3.093 633 HH21 ARG 18 HH21 ARG 18 13.226 -0.094 6.278 634 HH22 ARG 18 HH22 ARG 18 13.656 0.281 4.674 635 H LEU 19 H LEU 19 17.148 -5.163 4.266 636 HA LEU 19 HA LEU 19 19.779 -4.588 5.136 637 HG LEU 19 HG LEU 19 19.831 -6.193 1.716 638 HB2 LEU 19 HB2 LEU 19 18.494 -4.224 2.421 639 HB3 LEU 19 HB3 LEU 19 20.206 -4.131 2.753 640 HD11 LEU 19 HD11 LEU 19 21.390 -6.325 3.520 641 HD12 LEU 19 HD12 LEU 19 20.505 -7.839 3.350 642 HD13 LEU 19 HD13 LEU 19 20.088 -6.719 4.642 643 HD21 LEU 19 HD21 LEU 19 17.416 -6.399 2.006 644 HD22 LEU 19 HD22 LEU 19 17.644 -6.794 3.710 645 HD23 LEU 19 HD23 LEU 19 18.238 -7.887 2.466 646 HA PRO 20 HA PRO 20 19.438 -0.236 5.914 647 HB2 PRO 20 HB2 PRO 20 21.929 -0.024 4.309 648 HB3 PRO 20 HB3 PRO 20 21.576 0.592 5.928 649 HG2 PRO 20 HG2 PRO 20 23.090 -1.565 5.606 650 HG3 PRO 20 HG3 PRO 20 21.913 -1.461 6.930 651 HD2 PRO 20 HD2 PRO 20 21.753 -3.001 4.377 652 HD3 PRO 20 HD3 PRO 20 21.153 -3.390 6.009 653 H VAL 21 H VAL 21 18.459 1.315 4.976 654 HA VAL 21 HA VAL 21 18.258 1.408 2.061 655 HB VAL 21 HB VAL 21 16.463 2.691 4.158 656 HG11 VAL 21 HG11 VAL 21 16.485 3.935 2.058 657 HG12 VAL 21 HG12 VAL 21 14.933 3.131 2.297 658 HG13 VAL 21 HG13 VAL 21 16.113 2.458 1.170 659 HG21 VAL 21 HG21 VAL 21 16.246 0.270 4.195 660 HG22 VAL 21 HG22 VAL 21 15.997 0.250 2.449 661 HG23 VAL 21 HG23 VAL 21 14.803 1.010 3.499 662 H SER 22 H SER 22 19.008 3.121 1.025 663 HA SER 22 HA SER 22 21.034 4.629 2.124 664 HG SER 22 HG SER 22 21.691 3.544 0.259 665 HB2 SER 22 HB2 SER 22 19.466 5.145 -0.393 666 HB3 SER 22 HB3 SER 22 21.071 5.778 -0.023 667 H ARG 23 H ARG 23 17.661 5.669 1.475 668 HA ARG 23 HA ARG 23 18.248 8.157 2.950 669 HE ARG 23 HE ARG 23 17.767 10.670 3.787 670 HB2 ARG 23 HB2 ARG 23 18.074 8.410 0.439 671 HB3 ARG 23 HB3 ARG 23 16.425 7.847 0.558 672 HG2 ARG 23 HG2 ARG 23 16.327 10.207 0.354 673 HG3 ARG 23 HG3 ARG 23 15.973 9.843 2.043 674 HD2 ARG 23 HD2 ARG 23 18.693 10.678 1.008 675 HD3 ARG 23 HD3 ARG 23 17.514 11.785 1.688 676 HH11 ARG 23 HH11 ARG 23 20.272 9.845 1.374 677 HH12 ARG 23 HH12 ARG 23 21.449 9.490 2.547 678 HH21 ARG 23 HH21 ARG 23 19.463 10.191 5.367 679 HH22 ARG 23 HH22 ARG 23 20.992 9.695 4.838 680 H ILE 24 H ILE 24 16.330 8.986 4.107 681 HA ILE 24 HA ILE 24 14.596 6.867 5.000 682 HB ILE 24 HB ILE 24 14.694 9.792 5.786 683 HG12 ILE 24 HG12 ILE 24 16.714 8.612 6.422 684 HG13 ILE 24 HG13 ILE 24 15.758 8.982 7.855 685 HG21 ILE 24 HG21 ILE 24 13.146 7.540 7.052 686 HG22 ILE 24 HG22 ILE 24 12.471 8.920 6.193 687 HG23 ILE 24 HG23 ILE 24 13.308 9.163 7.726 688 HD11 ILE 24 HD11 ILE 24 15.981 6.316 6.468 689 HD12 ILE 24 HD12 ILE 24 14.962 6.657 7.871 690 HD13 ILE 24 HD13 ILE 24 16.715 6.789 7.999 691 H LYS 25 H LYS 25 12.597 6.547 4.407 692 HA LYS 25 HA LYS 25 11.378 8.619 2.753 693 HB2 LYS 25 HB2 LYS 25 11.265 5.661 2.336 694 HB3 LYS 25 HB3 LYS 25 9.933 6.669 1.810 695 HG2 LYS 25 HG2 LYS 25 11.358 6.271 -0.057 696 HG3 LYS 25 HG3 LYS 25 11.519 7.954 0.407 697 HD2 LYS 25 HD2 LYS 25 13.621 7.391 1.566 698 HD3 LYS 25 HD3 LYS 25 13.447 5.719 1.010 699 HE2 LYS 25 HE2 LYS 25 13.692 8.164 -0.731 700 HE3 LYS 25 HE3 LYS 25 14.953 6.963 -0.462 701 HZ1 LYS 25 HZ1 LYS 25 13.864 6.535 -2.559 702 HZ2 LYS 25 HZ2 LYS 25 12.355 6.531 -1.848 703 HZ3 LYS 25 HZ3 LYS 25 13.425 5.289 -1.509 704 H THR 26 H THR 26 9.327 9.159 2.982 705 HA THR 26 HA THR 26 7.708 7.890 5.129 706 HB THR 26 HB THR 26 6.807 10.134 5.594 707 HG1 THR 26 HG1 THR 26 8.956 11.306 4.220 708 HG21 THR 26 HG21 THR 26 8.647 9.323 6.985 709 HG22 THR 26 HG22 THR 26 8.724 11.077 6.811 710 HG23 THR 26 HG23 THR 26 9.815 10.045 5.879 711 H TYR 27 H TYR 27 5.910 7.183 4.436 712 HA TYR 27 HA TYR 27 4.901 8.309 1.955 713 HD1 TYR 27 HD1 TYR 27 4.886 7.219 -0.494 714 HD2 TYR 27 HD2 TYR 27 7.364 5.116 2.213 715 HE1 TYR 27 HE1 TYR 27 6.685 7.292 -2.133 716 HE2 TYR 27 HE2 TYR 27 9.205 5.162 0.586 717 HH TYR 27 HH TYR 27 9.574 5.423 -1.744 718 HB2 TYR 27 HB2 TYR 27 5.069 5.396 2.662 719 HB3 TYR 27 HB3 TYR 27 3.973 6.012 1.424 720 H THR 28 H THR 28 2.990 8.949 1.956 721 HA THR 28 HA THR 28 1.446 8.259 4.312 722 HB THR 28 HB THR 28 0.362 10.504 4.120 723 HG1 THR 28 HG1 THR 28 0.605 10.843 1.896 724 HG21 THR 28 HG21 THR 28 3.378 10.710 4.058 725 HG22 THR 28 HG22 THR 28 2.454 10.255 5.468 726 HG23 THR 28 HG23 THR 28 2.274 11.874 4.789 727 H ILE 29 H ILE 29 -0.546 7.510 4.015 728 HA ILE 29 HA ILE 29 -1.630 7.620 1.321 729 HB ILE 29 HB ILE 29 -1.530 5.200 3.132 730 HG12 ILE 29 HG12 ILE 29 -0.568 5.705 0.306 731 HG13 ILE 29 HG13 ILE 29 0.440 5.601 1.742 732 HG21 ILE 29 HG21 ILE 29 -2.916 3.992 1.515 733 HG22 ILE 29 HG22 ILE 29 -3.154 5.475 0.588 734 HG23 ILE 29 HG23 ILE 29 -3.801 5.339 2.224 735 HD11 ILE 29 HD11 ILE 29 0.564 3.599 0.416 736 HD12 ILE 29 HD12 ILE 29 -1.185 3.385 0.529 737 HD13 ILE 29 HD13 ILE 29 -0.191 3.263 1.981 738 H THR 30 H THR 30 -3.490 8.568 1.236 739 HA THR 30 HA THR 30 -5.109 8.686 3.640 740 HB THR 30 HB THR 30 -4.666 10.901 2.734 741 HG1 THR 30 HG1 THR 30 -7.281 9.991 2.205 742 HG21 THR 30 HG21 THR 30 -5.853 9.844 0.199 743 HG22 THR 30 HG22 THR 30 -4.174 10.328 0.413 744 HG23 THR 30 HG23 THR 30 -5.465 11.553 0.466 745 H GLU 31 H GLU 31 -6.652 7.344 3.774 746 HA GLU 31 HA GLU 31 -8.143 6.579 1.398 747 HB2 GLU 31 HB2 GLU 31 -6.504 4.817 1.665 748 HB3 GLU 31 HB3 GLU 31 -6.923 4.635 3.359 749 HG2 GLU 31 HG2 GLU 31 -7.869 2.845 1.987 750 HG3 GLU 31 HG3 GLU 31 -9.121 3.821 2.755 751 H GLY 32 H GLY 32 -10.050 7.318 1.858 752 HA2 GLY 32 HA2 GLY 32 -12.127 7.408 2.792 753 HA3 GLY 32 HA3 GLY 32 -11.658 6.036 3.777 754 H SER 33 H SER 33 -10.583 6.470 5.776 755 HA SER 33 HA SER 33 -11.032 9.168 6.772 756 HG SER 33 HG SER 33 -13.072 8.385 6.246 757 HB2 SER 33 HB2 SER 33 -12.132 6.696 8.096 758 HB3 SER 33 HB3 SER 33 -12.204 8.338 8.744 759 H LEU 34 H LEU 34 -8.670 7.071 6.346 760 HA LEU 34 HA LEU 34 -7.444 7.925 8.822 761 HG LEU 34 HG LEU 34 -6.150 4.883 7.010 762 HB2 LEU 34 HB2 LEU 34 -6.298 5.836 9.259 763 HB3 LEU 34 HB3 LEU 34 -8.026 5.571 9.247 764 HD11 LEU 34 HD11 LEU 34 -6.447 2.551 7.803 765 HD12 LEU 34 HD12 LEU 34 -7.389 3.153 9.166 766 HD13 LEU 34 HD13 LEU 34 -5.678 3.570 9.020 767 HD21 LEU 34 HD21 LEU 34 -8.511 5.260 6.378 768 HD22 LEU 34 HD22 LEU 34 -8.996 3.963 7.483 769 HD23 LEU 34 HD23 LEU 34 -7.951 3.632 6.095 770 H ARG 35 H ARG 35 -5.382 8.442 8.822 771 HA ARG 35 HA ARG 35 -4.062 8.668 6.220 772 HE ARG 35 HE ARG 35 -2.689 11.818 6.066 773 HB2 ARG 35 HB2 ARG 35 -3.532 10.026 8.879 774 HB3 ARG 35 HB3 ARG 35 -2.696 10.356 7.371 775 HG2 ARG 35 HG2 ARG 35 -5.637 10.835 7.832 776 HG3 ARG 35 HG3 ARG 35 -4.388 12.063 8.017 777 HD2 ARG 35 HD2 ARG 35 -4.999 10.551 5.478 778 HD3 ARG 35 HD3 ARG 35 -5.516 12.198 5.834 779 HH11 ARG 35 HH11 ARG 35 -5.293 12.646 3.809 780 HH12 ARG 35 HH12 ARG 35 -4.224 13.369 2.681 781 HH21 ARG 35 HH21 ARG 35 -1.284 12.853 4.506 782 HH22 ARG 35 HH22 ARG 35 -1.957 13.491 3.076 783 H ALA 36 H ALA 36 -2.670 7.014 5.947 784 HA ALA 36 HA ALA 36 -1.378 5.856 8.319 785 HB1 ALA 36 HB1 ALA 36 -2.653 4.280 6.941 786 HB2 ALA 36 HB2 ALA 36 -0.930 3.902 6.915 787 HB3 ALA 36 HB3 ALA 36 -1.672 4.715 5.539 788 H VAL 37 H VAL 37 0.753 6.063 8.597 789 HA VAL 37 HA VAL 37 2.311 7.098 6.321 790 HB VAL 37 HB VAL 37 2.757 7.853 9.227 791 HG11 VAL 37 HG11 VAL 37 4.460 9.389 8.339 792 HG12 VAL 37 HG12 VAL 37 4.184 8.753 6.716 793 HG13 VAL 37 HG13 VAL 37 4.849 7.708 7.971 794 HG21 VAL 37 HG21 VAL 37 0.836 8.981 8.328 795 HG22 VAL 37 HG22 VAL 37 1.784 9.385 6.883 796 HG23 VAL 37 HG23 VAL 37 2.203 10.120 8.434 797 H ILE 38 H ILE 38 3.897 5.905 5.720 798 HA ILE 38 HA ILE 38 4.943 3.855 7.484 799 HB ILE 38 HB ILE 38 4.881 4.232 4.490 800 HG12 ILE 38 HG12 ILE 38 3.770 2.045 6.226 801 HG13 ILE 38 HG13 ILE 38 2.852 3.416 5.605 802 HG21 ILE 38 HG21 ILE 38 6.279 2.045 6.025 803 HG22 ILE 38 HG22 ILE 38 7.052 3.295 5.047 804 HG23 ILE 38 HG23 ILE 38 6.016 2.085 4.284 805 HD11 ILE 38 HD11 ILE 38 3.078 2.764 3.483 806 HD12 ILE 38 HD12 ILE 38 2.605 1.307 4.330 807 HD13 ILE 38 HD13 ILE 38 4.304 1.503 3.804 808 H PHE 39 H PHE 39 6.851 4.263 8.343 809 HA PHE 39 HA PHE 39 8.577 6.271 7.107 810 HD1 PHE 39 HD1 PHE 39 9.118 8.595 8.977 811 HD2 PHE 39 HD2 PHE 39 6.372 5.764 10.560 812 HE1 PHE 39 HE1 PHE 39 7.695 10.437 9.791 813 HE2 PHE 39 HE2 PHE 39 4.949 7.593 11.375 814 HZ PHE 39 HZ PHE 39 5.611 9.936 10.991 815 HB2 PHE 39 HB2 PHE 39 8.564 5.123 9.908 816 HB3 PHE 39 HB3 PHE 39 9.749 6.272 9.307 817 H ILE 40 H ILE 40 10.167 5.509 6.036 818 HA ILE 40 HA ILE 40 10.949 2.695 6.456 819 HB ILE 40 HB ILE 40 11.722 4.596 4.228 820 HG12 ILE 40 HG12 ILE 40 9.354 4.101 4.030 821 HG13 ILE 40 HG13 ILE 40 10.224 3.238 2.781 822 HG21 ILE 40 HG21 ILE 40 12.583 2.598 3.087 823 HG22 ILE 40 HG22 ILE 40 12.172 1.623 4.498 824 HG23 ILE 40 HG23 ILE 40 13.406 2.877 4.622 825 HD11 ILE 40 HD11 ILE 40 10.075 1.173 4.160 826 HD12 ILE 40 HD12 ILE 40 8.507 1.866 3.711 827 HD13 ILE 40 HD13 ILE 40 9.119 2.098 5.332 828 H THR 41 H THR 41 12.086 2.077 7.601 829 HA THR 41 HA THR 41 14.315 3.738 8.304 830 HB THR 41 HB THR 41 13.012 1.730 10.135 831 HG1 THR 41 HG1 THR 41 12.125 4.303 9.339 832 HG21 THR 41 HG21 THR 41 14.290 4.327 10.367 833 HG22 THR 41 HG22 THR 41 15.115 2.761 10.606 834 HG23 THR 41 HG23 THR 41 13.831 3.320 11.758 835 H LYS 42 H LYS 42 16.295 2.284 8.640 836 HA LYS 42 HA LYS 42 16.330 -0.006 6.972 837 HB2 LYS 42 HB2 LYS 42 18.607 -0.271 7.768 838 HB3 LYS 42 HB3 LYS 42 18.278 1.358 7.194 839 HG2 LYS 42 HG2 LYS 42 18.301 2.275 9.352 840 HG3 LYS 42 HG3 LYS 42 18.035 0.711 10.109 841 HD2 LYS 42 HD2 LYS 42 20.536 1.519 8.652 842 HD3 LYS 42 HD3 LYS 42 20.332 1.575 10.410 843 HE2 LYS 42 HE2 LYS 42 19.742 -0.814 10.355 844 HE3 LYS 42 HE3 LYS 42 20.119 -0.866 8.661 845 HZ1 LYS 42 HZ1 LYS 42 22.044 -1.620 9.920 846 HZ2 LYS 42 HZ2 LYS 42 22.082 -0.211 10.811 847 HZ3 LYS 42 HZ3 LYS 42 22.438 -0.170 9.173 848 H ARG 43 H ARG 43 15.539 0.393 10.273 849 HA ARG 43 HA ARG 43 16.580 -2.191 11.122 850 HE ARG 43 HE ARG 43 17.259 -3.548 15.101 851 HB2 ARG 43 HB2 ARG 43 16.419 0.140 12.406 852 HB3 ARG 43 HB3 ARG 43 14.823 -0.443 12.825 853 HG2 ARG 43 HG2 ARG 43 17.373 -1.942 13.431 854 HG3 ARG 43 HG3 ARG 43 16.619 -0.809 14.536 855 HD2 ARG 43 HD2 ARG 43 14.682 -2.223 14.714 856 HD3 ARG 43 HD3 ARG 43 15.308 -3.301 13.467 857 HH11 ARG 43 HH11 ARG 43 13.905 -3.148 16.157 858 HH12 ARG 43 HH12 ARG 43 14.104 -4.111 17.552 859 HH21 ARG 43 HH21 ARG 43 17.513 -4.849 16.981 860 HH22 ARG 43 HH22 ARG 43 16.205 -5.125 18.026 861 H GLY 44 H GLY 44 14.151 -1.365 9.351 862 HA2 GLY 44 HA2 GLY 44 12.693 -3.520 9.016 863 HA3 GLY 44 HA3 GLY 44 12.127 -3.093 10.620 864 H LEU 45 H LEU 45 10.226 -2.413 10.424 865 HA LEU 45 HA LEU 45 9.509 -0.273 8.469 866 HG LEU 45 HG LEU 45 6.379 -0.643 9.124 867 HB2 LEU 45 HB2 LEU 45 8.453 -2.373 7.793 868 HB3 LEU 45 HB3 LEU 45 7.843 -2.638 9.404 869 HD11 LEU 45 HD11 LEU 45 7.348 -0.727 6.289 870 HD12 LEU 45 HD12 LEU 45 7.627 0.565 7.461 871 HD13 LEU 45 HD13 LEU 45 5.991 0.226 6.895 872 HD21 LEU 45 HD21 LEU 45 4.775 -1.700 7.628 873 HD22 LEU 45 HD22 LEU 45 5.453 -2.899 8.719 874 HD23 LEU 45 HD23 LEU 45 5.999 -2.805 7.046 875 H LYS 46 H LYS 46 8.328 1.422 9.273 876 HA LYS 46 HA LYS 46 7.424 1.240 12.033 877 HB2 LYS 46 HB2 LYS 46 9.581 2.435 11.995 878 HB3 LYS 46 HB3 LYS 46 8.977 3.536 10.784 879 HG2 LYS 46 HG2 LYS 46 8.958 4.628 12.950 880 HG3 LYS 46 HG3 LYS 46 7.288 4.336 12.457 881 HD2 LYS 46 HD2 LYS 46 7.225 2.345 13.879 882 HD3 LYS 46 HD3 LYS 46 8.915 2.645 14.300 883 HE2 LYS 46 HE2 LYS 46 6.649 4.547 14.887 884 HE3 LYS 46 HE3 LYS 46 7.313 3.380 16.029 885 HZ1 LYS 46 HZ1 LYS 46 8.804 5.618 14.770 886 HZ2 LYS 46 HZ2 LYS 46 9.456 4.490 15.857 887 HZ3 LYS 46 HZ3 LYS 46 8.243 5.571 16.348 888 H VAL 47 H VAL 47 5.332 1.803 12.097 889 HA VAL 47 HA VAL 47 4.297 3.378 9.847 890 HB VAL 47 HB VAL 47 3.800 0.945 9.606 891 HG11 VAL 47 HG11 VAL 47 2.242 1.402 12.117 892 HG12 VAL 47 HG12 VAL 47 3.541 0.245 11.862 893 HG13 VAL 47 HG13 VAL 47 1.958 0.035 11.063 894 HG21 VAL 47 HG21 VAL 47 2.382 2.587 8.505 895 HG22 VAL 47 HG22 VAL 47 1.403 2.748 9.964 896 HG23 VAL 47 HG23 VAL 47 1.411 1.229 9.068 897 H CYS 48 H CYS 48 2.769 4.830 10.305 898 HA CYS 48 HA CYS 48 1.793 4.939 13.072 899 HB2 CYS 48 HB2 CYS 48 2.756 7.218 11.373 900 HB3 CYS 48 HB3 CYS 48 1.645 7.463 12.715 901 H ALA 49 H ALA 49 -0.285 5.204 13.370 902 HA ALA 49 HA ALA 49 -1.919 5.615 10.949 903 HB1 ALA 49 HB1 ALA 49 -3.633 4.357 12.043 904 HB2 ALA 49 HB2 ALA 49 -2.644 4.242 13.503 905 HB3 ALA 49 HB3 ALA 49 -2.111 3.456 12.032 906 H ASP 50 H ASP 50 -2.895 7.557 10.978 907 HA ASP 50 HA ASP 50 -4.008 8.618 13.480 908 HB2 ASP 50 HB2 ASP 50 -2.071 9.992 12.957 909 HB3 ASP 50 HB3 ASP 50 -2.575 10.122 11.280 910 HA PRO 51 HA PRO 51 -7.479 8.414 10.694 911 HB2 PRO 51 HB2 PRO 51 -9.415 8.994 12.497 912 HB3 PRO 51 HB3 PRO 51 -8.698 7.391 12.334 913 HG2 PRO 51 HG2 PRO 51 -8.209 9.488 14.382 914 HG3 PRO 51 HG3 PRO 51 -8.169 7.728 14.545 915 HD2 PRO 51 HD2 PRO 51 -5.933 9.357 14.316 916 HD3 PRO 51 HD3 PRO 51 -5.981 7.618 13.990 917 H GLN 52 H GLN 52 -8.206 9.880 9.446 918 HA GLN 52 HA GLN 52 -8.974 11.721 8.490 919 HB2 GLN 52 HB2 GLN 52 -9.626 12.674 11.260 920 HB3 GLN 52 HB3 GLN 52 -10.282 13.305 9.755 921 HG2 GLN 52 HG2 GLN 52 -11.256 11.087 9.292 922 HG3 GLN 52 HG3 GLN 52 -10.673 10.525 10.848 923 HE21 GLN 52 HE21 GLN 52 -13.001 12.495 9.207 924 HE22 GLN 52 HE22 GLN 52 -13.969 12.824 10.584 925 H ALA 53 H ALA 53 -7.201 12.831 11.335 926 HA ALA 53 HA ALA 53 -5.672 14.423 11.708 927 HB1 ALA 53 HB1 ALA 53 -4.119 15.121 9.954 928 HB2 ALA 53 HB2 ALA 53 -5.162 14.414 8.719 929 HB3 ALA 53 HB3 ALA 53 -4.360 13.376 9.899 930 H THR 54 H THR 54 -6.770 15.525 8.592 931 HA THR 54 HA THR 54 -8.398 17.533 9.797 932 HB THR 54 HB THR 54 -6.331 18.779 9.807 933 HG1 THR 54 HG1 THR 54 -8.039 20.017 9.195 934 HG21 THR 54 HG21 THR 54 -4.986 19.213 7.790 935 HG22 THR 54 HG22 THR 54 -6.046 18.136 6.876 936 HG23 THR 54 HG23 THR 54 -5.046 17.495 8.180 937 H TRP 55 H TRP 55 -6.990 16.286 6.773 938 HA TRP 55 HA TRP 55 -9.656 16.218 5.676 939 HD1 TRP 55 HD1 TRP 55 -7.599 19.830 5.708 940 HE1 TRP 55 HE1 TRP 55 -9.453 21.602 5.790 941 HE3 TRP 55 HE3 TRP 55 -11.301 17.220 3.359 942 HZ2 TRP 55 HZ2 TRP 55 -12.137 21.860 4.974 943 HZ3 TRP 55 HZ3 TRP 55 -13.488 18.299 3.046 944 HH2 TRP 55 HH2 TRP 55 -13.900 20.567 3.836 945 HB2 TRP 55 HB2 TRP 55 -7.314 17.604 4.451 946 HB3 TRP 55 HB3 TRP 55 -8.642 17.010 3.439 947 H VAL 56 H VAL 56 -9.677 14.049 5.862 948 HA VAL 56 HA VAL 56 -7.714 12.579 4.286 949 HB VAL 56 HB VAL 56 -8.106 11.746 6.599 950 HG11 VAL 56 HG11 VAL 56 -10.932 11.245 5.731 951 HG12 VAL 56 HG12 VAL 56 -10.396 12.476 6.876 952 HG13 VAL 56 HG13 VAL 56 -10.199 10.777 7.272 953 HG21 VAL 56 HG21 VAL 56 -9.131 9.888 4.460 954 HG22 VAL 56 HG22 VAL 56 -8.543 9.391 6.048 955 HG23 VAL 56 HG23 VAL 56 -7.444 10.145 4.893 956 H ARG 57 H ARG 57 -8.308 11.661 2.396 957 HA ARG 57 HA ARG 57 -11.157 11.852 1.760 958 HE ARG 57 HE ARG 57 -7.820 14.232 -0.613 959 HB2 ARG 57 HB2 ARG 57 -8.954 12.489 -0.214 960 HB3 ARG 57 HB3 ARG 57 -10.667 12.478 -0.560 961 HG2 ARG 57 HG2 ARG 57 -10.148 14.724 -0.355 962 HG3 ARG 57 HG3 ARG 57 -10.836 14.322 1.222 963 HD2 ARG 57 HD2 ARG 57 -8.842 15.674 1.535 964 HD3 ARG 57 HD3 ARG 57 -8.534 14.029 2.096 965 HH11 ARG 57 HH11 ARG 57 -6.555 15.229 2.559 966 HH12 ARG 57 HH12 ARG 57 -4.963 15.379 1.981 967 HH21 ARG 57 HH21 ARG 57 -5.710 14.392 -1.335 968 HH22 ARG 57 HH22 ARG 57 -4.444 14.868 -0.296 969 H ASP 58 H ASP 58 -11.628 10.698 -0.289 970 HA ASP 58 HA ASP 58 -11.031 7.905 0.017 971 HB2 ASP 58 HB2 ASP 58 -13.285 8.867 -0.493 972 HB3 ASP 58 HB3 ASP 58 -12.672 9.421 -2.040 973 H VAL 59 H VAL 59 -8.700 9.073 -0.519 974 HA VAL 59 HA VAL 59 -6.823 9.093 -1.755 975 HB VAL 59 HB VAL 59 -8.242 7.173 -3.637 976 HG11 VAL 59 HG11 VAL 59 -5.982 6.450 -4.299 977 HG12 VAL 59 HG12 VAL 59 -5.288 7.693 -3.259 978 HG13 VAL 59 HG13 VAL 59 -6.255 8.155 -4.657 979 HG21 VAL 59 HG21 VAL 59 -8.211 6.286 -1.379 980 HG22 VAL 59 HG22 VAL 59 -6.477 6.579 -1.263 981 HG23 VAL 59 HG23 VAL 59 -7.093 5.379 -2.398 982 H VAL 60 H VAL 60 -7.139 11.268 -2.156 983 HA VAL 60 HA VAL 60 -6.864 12.096 -4.725 984 HB VAL 60 HB VAL 60 -9.242 11.607 -5.101 985 HG11 VAL 60 HG11 VAL 60 -11.061 12.743 -3.915 986 HG12 VAL 60 HG12 VAL 60 -9.880 13.431 -2.798 987 HG13 VAL 60 HG13 VAL 60 -10.120 11.685 -2.861 988 HG21 VAL 60 HG21 VAL 60 -10.048 13.818 -5.839 989 HG22 VAL 60 HG22 VAL 60 -8.363 13.529 -6.267 990 HG23 VAL 60 HG23 VAL 60 -8.759 14.576 -4.906 Start of MODEL 4 1 HA VAL 1 HA VAL 1 -5.239 -13.011 15.755 2 HB VAL 1 HB VAL 1 -4.009 -11.906 13.919 3 H1 VAL 1 H1 VAL 1 -6.171 -11.064 16.812 4 H2 VAL 1 H2 VAL 1 -4.622 -10.637 17.390 5 H3 VAL 1 H3 VAL 1 -5.336 -12.065 17.879 6 HG11 VAL 1 HG11 VAL 1 -5.719 -10.268 13.270 7 HG12 VAL 1 HG12 VAL 1 -6.339 -10.279 14.920 8 HG13 VAL 1 HG13 VAL 1 -6.430 -11.740 13.936 9 HG21 VAL 1 HG21 VAL 1 -2.613 -10.383 15.231 10 HG22 VAL 1 HG22 VAL 1 -4.038 -9.448 15.684 11 HG23 VAL 1 HG23 VAL 1 -3.512 -9.496 14.002 12 H GLY 2 H GLY 2 -3.459 -14.297 15.227 13 HA2 GLY 2 HA2 GLY 2 -1.335 -14.133 17.186 14 HA3 GLY 2 HA3 GLY 2 -1.675 -15.478 16.099 15 H SER 3 H SER 3 0.680 -13.517 16.750 16 HA SER 3 HA SER 3 1.720 -13.565 14.078 17 HG SER 3 HG SER 3 -0.207 -12.200 13.939 18 HB2 SER 3 HB2 SER 3 1.389 -10.930 15.542 19 HB3 SER 3 HB3 SER 3 2.275 -11.158 14.034 20 H GLU 4 H GLU 4 3.558 -14.623 14.534 21 HA GLU 4 HA GLU 4 5.015 -14.174 16.953 22 HB2 GLU 4 HB2 GLU 4 5.734 -15.724 14.462 23 HB3 GLU 4 HB3 GLU 4 6.714 -15.689 15.918 24 HG2 GLU 4 HG2 GLU 4 4.874 -16.708 17.171 25 HG3 GLU 4 HG3 GLU 4 3.905 -16.744 15.701 26 H VAL 5 H VAL 5 6.190 -12.470 17.265 27 HA VAL 5 HA VAL 5 7.156 -10.939 15.042 28 HB VAL 5 HB VAL 5 8.017 -9.310 16.779 29 HG11 VAL 5 HG11 VAL 5 5.785 -9.043 15.831 30 HG12 VAL 5 HG12 VAL 5 5.790 -8.579 17.535 31 HG13 VAL 5 HG13 VAL 5 5.123 -10.135 17.045 32 HG21 VAL 5 HG21 VAL 5 6.665 -11.192 18.728 33 HG22 VAL 5 HG22 VAL 5 7.319 -9.601 19.116 34 HG23 VAL 5 HG23 VAL 5 8.401 -10.904 18.616 35 H SER 6 H SER 6 8.782 -11.823 13.972 36 HA SER 6 HA SER 6 11.335 -12.039 15.233 37 HG SER 6 HG SER 6 10.063 -13.613 16.408 38 HB2 SER 6 HB2 SER 6 10.027 -14.471 13.965 39 HB3 SER 6 HB3 SER 6 11.728 -14.366 14.435 40 H ASP 7 H ASP 7 12.908 -12.931 13.323 41 HA ASP 7 HA ASP 7 12.482 -11.011 11.244 42 HB2 ASP 7 HB2 ASP 7 14.797 -12.896 11.654 43 HB3 ASP 7 HB3 ASP 7 14.699 -11.734 10.340 44 H LYS 8 H LYS 8 10.789 -11.696 10.284 45 HA LYS 8 HA LYS 8 11.296 -13.157 7.889 46 HB2 LYS 8 HB2 LYS 8 9.051 -14.050 9.745 47 HB3 LYS 8 HB3 LYS 8 8.993 -14.324 8.022 48 HG2 LYS 8 HG2 LYS 8 11.021 -15.724 8.216 49 HG3 LYS 8 HG3 LYS 8 11.001 -15.466 9.960 50 HD2 LYS 8 HD2 LYS 8 8.826 -16.516 10.137 51 HD3 LYS 8 HD3 LYS 8 8.725 -16.662 8.386 52 HE2 LYS 8 HE2 LYS 8 9.301 -18.794 9.433 53 HE3 LYS 8 HE3 LYS 8 10.606 -18.228 8.400 54 HZ1 LYS 8 HZ1 LYS 8 11.386 -19.120 10.483 55 HZ2 LYS 8 HZ2 LYS 8 10.522 -17.973 11.364 56 HZ3 LYS 8 HZ3 LYS 8 11.789 -17.500 10.337 57 H ARG 9 H ARG 9 8.249 -12.305 9.435 58 HA ARG 9 HA ARG 9 8.054 -9.776 7.989 59 HE ARG 9 HE ARG 9 6.873 -12.131 3.231 60 HB2 ARG 9 HB2 ARG 9 5.911 -11.894 7.766 61 HB3 ARG 9 HB3 ARG 9 5.941 -10.279 7.074 62 HG2 ARG 9 HG2 ARG 9 7.612 -10.838 5.506 63 HG3 ARG 9 HG3 ARG 9 7.938 -12.377 6.298 64 HD2 ARG 9 HD2 ARG 9 5.703 -13.159 5.675 65 HD3 ARG 9 HD3 ARG 9 5.394 -11.617 4.878 66 HH11 ARG 9 HH11 ARG 9 6.647 -14.789 5.581 67 HH12 ARG 9 HH12 ARG 9 7.415 -15.938 4.600 68 HH21 ARG 9 HH21 ARG 9 7.936 -13.734 1.859 69 HH22 ARG 9 HH22 ARG 9 8.147 -15.325 2.405 70 H THR 10 H THR 10 7.311 -8.423 9.616 71 HA THR 10 HA THR 10 5.601 -9.717 11.549 72 HB THR 10 HB THR 10 7.156 -7.136 11.871 73 HG1 THR 10 HG1 THR 10 8.112 -9.569 11.786 74 HG21 THR 10 HG21 THR 10 6.631 -7.498 14.248 75 HG22 THR 10 HG22 THR 10 5.759 -8.967 13.768 76 HG23 THR 10 HG23 THR 10 5.159 -7.393 13.243 77 H CYS 11 H CYS 11 3.581 -8.873 11.918 78 HA CYS 11 HA CYS 11 2.787 -6.486 10.408 79 HB2 CYS 11 HB2 CYS 11 1.126 -8.975 10.936 80 HB3 CYS 11 HB3 CYS 11 0.581 -7.514 10.143 81 H VAL 12 H VAL 12 1.249 -5.235 11.538 82 HA VAL 12 HA VAL 12 0.527 -6.092 14.242 83 HB VAL 12 HB VAL 12 1.788 -3.375 13.674 84 HG11 VAL 12 HG11 VAL 12 0.773 -4.557 16.249 85 HG12 VAL 12 HG12 VAL 12 0.069 -3.203 15.371 86 HG13 VAL 12 HG13 VAL 12 1.665 -3.046 16.120 87 HG21 VAL 12 HG21 VAL 12 2.863 -5.677 15.307 88 HG22 VAL 12 HG22 VAL 12 3.632 -4.099 15.139 89 HG23 VAL 12 HG23 VAL 12 3.476 -5.165 13.741 90 H SER 13 H SER 13 -1.539 -5.546 14.763 91 HA SER 13 HA SER 13 -2.949 -3.656 13.056 92 HG SER 13 HG SER 13 -4.788 -6.342 15.387 93 HB2 SER 13 HB2 SER 13 -4.973 -4.746 14.078 94 HB3 SER 13 HB3 SER 13 -4.011 -5.826 13.070 95 H LEU 14 H LEU 14 -3.778 -1.866 13.924 96 HA LEU 14 HA LEU 14 -3.757 -1.610 16.816 97 HG LEU 14 HG LEU 14 -2.530 -0.019 13.727 98 HB2 LEU 14 HB2 LEU 14 -2.932 0.771 16.545 99 HB3 LEU 14 HB3 LEU 14 -1.753 -0.471 16.189 100 HD11 LEU 14 HD11 LEU 14 -3.293 2.579 15.035 101 HD12 LEU 14 HD12 LEU 14 -4.342 1.471 14.166 102 HD13 LEU 14 HD13 LEU 14 -3.050 2.324 13.315 103 HD21 LEU 14 HD21 LEU 14 -0.737 1.659 13.520 104 HD22 LEU 14 HD22 LEU 14 -0.274 0.288 14.525 105 HD23 LEU 14 HD23 LEU 14 -0.718 1.822 15.270 106 H THR 15 H THR 15 -5.555 -0.869 17.667 107 HA THR 15 HA THR 15 -7.511 0.216 15.810 108 HB THR 15 HB THR 15 -8.313 -1.887 16.646 109 HG1 THR 15 HG1 THR 15 -9.983 -0.627 16.514 110 HG21 THR 15 HG21 THR 15 -8.648 -2.344 19.061 111 HG22 THR 15 HG22 THR 15 -7.825 -0.826 19.440 112 HG23 THR 15 HG23 THR 15 -6.949 -2.130 18.635 113 H THR 16 H THR 16 -7.965 2.254 16.013 114 HA THR 16 HA THR 16 -8.307 3.463 18.535 115 HB THR 16 HB THR 16 -5.923 3.656 18.529 116 HG1 THR 16 HG1 THR 16 -7.138 5.598 19.047 117 HG21 THR 16 HG21 THR 16 -5.433 3.232 16.193 118 HG22 THR 16 HG22 THR 16 -4.627 4.714 16.705 119 HG23 THR 16 HG23 THR 16 -6.103 4.792 15.734 120 H GLN 17 H GLN 17 -10.064 4.515 18.271 121 HA GLN 17 HA GLN 17 -11.906 5.353 17.253 122 HB2 GLN 17 HB2 GLN 17 -11.672 7.767 16.734 123 HB3 GLN 17 HB3 GLN 17 -10.923 7.303 18.252 124 HG2 GLN 17 HG2 GLN 17 -8.725 7.400 17.213 125 HG3 GLN 17 HG3 GLN 17 -9.503 7.731 15.660 126 HE21 GLN 17 HE21 GLN 17 -8.369 9.709 15.456 127 HE22 GLN 17 HE22 GLN 17 -8.819 11.078 16.377 128 H ARG 18 H ARG 18 -12.413 3.972 15.604 129 HA ARG 18 HA ARG 18 -11.732 5.060 13.002 130 HE ARG 18 HE ARG 18 -10.708 4.487 10.494 131 HB2 ARG 18 HB2 ARG 18 -11.776 2.165 13.763 132 HB3 ARG 18 HB3 ARG 18 -11.771 2.791 12.109 133 HG2 ARG 18 HG2 ARG 18 -9.624 3.356 14.136 134 HG3 ARG 18 HG3 ARG 18 -9.544 2.103 12.891 135 HD2 ARG 18 HD2 ARG 18 -9.728 5.093 12.459 136 HD3 ARG 18 HD3 ARG 18 -8.373 4.031 12.071 137 HH11 ARG 18 HH11 ARG 18 -8.209 2.120 11.189 138 HH12 ARG 18 HH12 ARG 18 -8.506 1.166 9.821 139 HH21 ARG 18 HH21 ARG 18 -11.096 3.244 8.594 140 HH22 ARG 18 HH22 ARG 18 -10.195 1.824 8.301 141 H LEU 19 H LEU 19 -13.158 4.804 11.322 142 HA LEU 19 HA LEU 19 -15.935 4.287 12.093 143 HG LEU 19 HG LEU 19 -16.093 6.996 12.296 144 HB2 LEU 19 HB2 LEU 19 -14.870 5.925 9.764 145 HB3 LEU 19 HB3 LEU 19 -16.547 5.696 10.167 146 HD11 LEU 19 HD11 LEU 19 -13.681 6.744 12.376 147 HD12 LEU 19 HD12 LEU 19 -14.131 8.446 12.320 148 HD13 LEU 19 HD13 LEU 19 -13.518 7.648 10.877 149 HD21 LEU 19 HD21 LEU 19 -17.211 7.953 10.379 150 HD22 LEU 19 HD22 LEU 19 -15.654 8.367 9.657 151 HD23 LEU 19 HD23 LEU 19 -16.172 9.148 11.155 152 HA PRO 20 HA PRO 20 -16.000 0.908 9.126 153 HB2 PRO 20 HB2 PRO 20 -18.483 2.172 8.059 154 HB3 PRO 20 HB3 PRO 20 -18.216 0.520 8.624 155 HG2 PRO 20 HG2 PRO 20 -19.559 2.270 10.110 156 HG3 PRO 20 HG3 PRO 20 -18.446 1.099 10.847 157 HD2 PRO 20 HD2 PRO 20 -18.065 4.025 10.376 158 HD3 PRO 20 HD3 PRO 20 -17.523 2.958 11.697 159 H VAL 21 H VAL 21 -15.357 0.613 7.122 160 HA VAL 21 HA VAL 21 -14.949 2.980 5.384 161 HB VAL 21 HB VAL 21 -13.279 0.436 5.446 162 HG11 VAL 21 HG11 VAL 21 -11.671 1.694 4.099 163 HG12 VAL 21 HG12 VAL 21 -12.779 3.067 4.066 164 HG13 VAL 21 HG13 VAL 21 -13.234 1.550 3.291 165 HG21 VAL 21 HG21 VAL 21 -12.991 1.656 7.525 166 HG22 VAL 21 HG22 VAL 21 -12.660 3.136 6.627 167 HG23 VAL 21 HG23 VAL 21 -11.539 1.779 6.533 168 H SER 22 H SER 22 -15.387 2.707 3.133 169 HA SER 22 HA SER 22 -17.470 0.845 2.666 170 HG SER 22 HG SER 22 -17.323 3.685 2.486 171 HB2 SER 22 HB2 SER 22 -16.106 2.732 0.738 172 HB3 SER 22 HB3 SER 22 -17.549 1.790 0.370 173 H ARG 23 H ARG 23 -14.062 0.905 1.631 174 HA ARG 23 HA ARG 23 -14.492 -1.832 0.704 175 HE ARG 23 HE ARG 23 -12.100 -3.752 -2.651 176 HB2 ARG 23 HB2 ARG 23 -14.477 -0.331 -1.232 177 HB3 ARG 23 HB3 ARG 23 -12.924 0.310 -0.725 178 HG2 ARG 23 HG2 ARG 23 -12.586 -1.227 -2.525 179 HG3 ARG 23 HG3 ARG 23 -11.960 -1.961 -1.045 180 HD2 ARG 23 HD2 ARG 23 -14.113 -3.199 -0.831 181 HD3 ARG 23 HD3 ARG 23 -14.592 -2.534 -2.392 182 HH11 ARG 23 HH11 ARG 23 -15.494 -4.614 -2.192 183 HH12 ARG 23 HH12 ARG 23 -15.339 -6.192 -2.805 184 HH21 ARG 23 HH21 ARG 23 -11.874 -5.935 -3.468 185 HH22 ARG 23 HH22 ARG 23 -13.250 -6.961 -3.553 186 H ILE 24 H ILE 24 -12.834 -3.236 1.275 187 HA ILE 24 HA ILE 24 -10.905 -2.311 3.181 188 HB ILE 24 HB ILE 24 -11.131 -4.996 1.778 189 HG12 ILE 24 HG12 ILE 24 -13.131 -4.439 3.082 190 HG13 ILE 24 HG13 ILE 24 -12.269 -5.802 3.796 191 HG21 ILE 24 HG21 ILE 24 -9.735 -5.888 3.597 192 HG22 ILE 24 HG22 ILE 24 -9.531 -4.257 4.227 193 HG23 ILE 24 HG23 ILE 24 -8.891 -4.677 2.638 194 HD11 ILE 24 HD11 ILE 24 -12.265 -2.936 4.760 195 HD12 ILE 24 HD12 ILE 24 -11.339 -4.255 5.482 196 HD13 ILE 24 HD13 ILE 24 -13.103 -4.293 5.510 197 H LYS 25 H LYS 25 -9.141 -1.335 2.580 198 HA LYS 25 HA LYS 25 -8.208 -1.744 -0.154 199 HB2 LYS 25 HB2 LYS 25 -7.561 0.458 1.779 200 HB3 LYS 25 HB3 LYS 25 -6.930 0.318 0.148 201 HG2 LYS 25 HG2 LYS 25 -9.807 0.696 0.918 202 HG3 LYS 25 HG3 LYS 25 -8.730 1.926 0.259 203 HD2 LYS 25 HD2 LYS 25 -8.492 0.510 -1.789 204 HD3 LYS 25 HD3 LYS 25 -9.713 -0.572 -1.103 205 HE2 LYS 25 HE2 LYS 25 -10.784 0.945 -2.631 206 HE3 LYS 25 HE3 LYS 25 -11.275 1.303 -0.981 207 HZ1 LYS 25 HZ1 LYS 25 -10.802 3.341 -2.148 208 HZ2 LYS 25 HZ2 LYS 25 -9.263 2.823 -2.551 209 HZ3 LYS 25 HZ3 LYS 25 -9.641 3.148 -0.959 210 H THR 26 H THR 26 -6.401 -2.701 -0.582 211 HA THR 26 HA THR 26 -4.413 -3.110 1.549 212 HB THR 26 HB THR 26 -3.688 -4.976 0.103 213 HG1 THR 26 HG1 THR 26 -4.522 -4.181 -1.860 214 HG21 THR 26 HG21 THR 26 -5.250 -5.434 1.920 215 HG22 THR 26 HG22 THR 26 -5.545 -6.519 0.558 216 HG23 THR 26 HG23 THR 26 -6.613 -5.136 0.842 217 H TYR 27 H TYR 27 -2.679 -2.008 1.280 218 HA TYR 27 HA TYR 27 -2.100 -0.970 -1.398 219 HD1 TYR 27 HD1 TYR 27 -2.201 1.616 -2.201 220 HD2 TYR 27 HD2 TYR 27 -4.052 1.034 1.573 221 HE1 TYR 27 HE1 TYR 27 -4.070 2.925 -2.957 222 HE2 TYR 27 HE2 TYR 27 -5.974 2.375 0.835 223 HH TYR 27 HH TYR 27 -6.448 3.284 -2.426 224 HB2 TYR 27 HB2 TYR 27 -1.791 0.425 1.232 225 HB3 TYR 27 HB3 TYR 27 -0.923 0.935 -0.208 226 H THR 28 H THR 28 -0.246 -1.356 -2.193 227 HA THR 28 HA THR 28 1.659 -2.549 -0.357 228 HB THR 28 HB THR 28 2.553 -3.847 -2.340 229 HG1 THR 28 HG1 THR 28 0.287 -3.599 -3.803 230 HG21 THR 28 HG21 THR 28 0.672 -5.429 -2.495 231 HG22 THR 28 HG22 THR 28 -0.388 -4.238 -1.741 232 HG23 THR 28 HG23 THR 28 0.948 -4.933 -0.833 233 H ILE 29 H ILE 29 3.560 -1.603 -0.145 234 HA ILE 29 HA ILE 29 4.527 0.186 -2.266 235 HB ILE 29 HB ILE 29 4.634 0.597 0.735 236 HG12 ILE 29 HG12 ILE 29 3.392 2.237 -1.476 237 HG13 ILE 29 HG13 ILE 29 2.525 1.256 -0.303 238 HG21 ILE 29 HG21 ILE 29 6.001 2.279 -1.374 239 HG22 ILE 29 HG22 ILE 29 6.789 1.209 -0.211 240 HG23 ILE 29 HG23 ILE 29 5.922 2.623 0.362 241 HD11 ILE 29 HD11 ILE 29 2.394 3.586 0.297 242 HD12 ILE 29 HD12 ILE 29 4.158 3.706 0.249 243 HD13 ILE 29 HD13 ILE 29 3.396 2.704 1.466 244 H THR 30 H THR 30 6.428 -0.509 -3.032 245 HA THR 30 HA THR 30 8.019 -2.196 -1.262 246 HB THR 30 HB THR 30 7.358 -3.373 -3.340 247 HG1 THR 30 HG1 THR 30 9.820 -3.361 -4.169 248 HG21 THR 30 HG21 THR 30 8.838 -1.164 -4.755 249 HG22 THR 30 HG22 THR 30 7.108 -1.485 -4.853 250 HG23 THR 30 HG23 THR 30 8.266 -2.644 -5.523 251 H GLU 31 H GLU 31 9.877 -1.466 -0.589 252 HA GLU 31 HA GLU 31 11.118 0.752 -1.998 253 HB2 GLU 31 HB2 GLU 31 9.607 1.816 -0.437 254 HB3 GLU 31 HB3 GLU 31 10.259 0.871 0.888 255 HG2 GLU 31 HG2 GLU 31 11.052 3.170 0.889 256 HG3 GLU 31 HG3 GLU 31 12.361 2.005 0.720 257 H GLY 32 H GLY 32 12.916 -0.333 -2.494 258 HA2 GLY 32 HA2 GLY 32 15.132 -0.856 -2.153 259 HA3 GLY 32 HA3 GLY 32 14.908 -0.455 -0.470 260 H SER 33 H SER 33 13.529 -2.161 0.680 261 HA SER 33 HA SER 33 14.444 -4.851 -0.122 262 HG SER 33 HG SER 33 16.387 -3.663 0.320 263 HB2 SER 33 HB2 SER 33 14.899 -3.662 2.599 264 HB3 SER 33 HB3 SER 33 15.347 -5.285 2.085 265 H LEU 34 H LEU 34 11.899 -2.942 1.091 266 HA LEU 34 HA LEU 34 10.691 -5.349 2.185 267 HG LEU 34 HG LEU 34 9.362 -1.955 3.143 268 HB2 LEU 34 HB2 LEU 34 9.689 -4.209 4.041 269 HB3 LEU 34 HB3 LEU 34 11.421 -3.930 4.098 270 HD11 LEU 34 HD11 LEU 34 9.771 -0.840 5.302 271 HD12 LEU 34 HD12 LEU 34 10.804 -2.186 5.780 272 HD13 LEU 34 HD13 LEU 34 9.083 -2.453 5.504 273 HD21 LEU 34 HD21 LEU 34 11.631 -1.623 2.233 274 HD22 LEU 34 HD22 LEU 34 12.269 -1.568 3.866 275 HD23 LEU 34 HD23 LEU 34 11.155 -0.315 3.285 276 H ARG 35 H ARG 35 8.767 -5.696 1.716 277 HA ARG 35 HA ARG 35 7.277 -3.632 0.199 278 HE ARG 35 HE ARG 35 9.288 -6.923 -2.856 279 HB2 ARG 35 HB2 ARG 35 6.462 -6.528 0.647 280 HB3 ARG 35 HB3 ARG 35 5.566 -5.362 -0.297 281 HG2 ARG 35 HG2 ARG 35 6.634 -6.792 -1.825 282 HG3 ARG 35 HG3 ARG 35 7.571 -5.304 -1.848 283 HD2 ARG 35 HD2 ARG 35 9.264 -6.290 -0.462 284 HD3 ARG 35 HD3 ARG 35 8.283 -7.735 -0.221 285 HH11 ARG 35 HH11 ARG 35 8.715 -9.432 -0.395 286 HH12 ARG 35 HH12 ARG 35 9.364 -10.683 -1.311 287 HH21 ARG 35 HH21 ARG 35 10.178 -8.712 -4.160 288 HH22 ARG 35 HH22 ARG 35 10.214 -10.275 -3.507 289 H ALA 36 H ALA 36 5.927 -2.410 1.316 290 HA ALA 36 HA ALA 36 4.995 -3.390 3.920 291 HB1 ALA 36 HB1 ALA 36 4.584 -1.027 4.451 292 HB2 ALA 36 HB2 ALA 36 5.117 -0.576 2.830 293 HB3 ALA 36 HB3 ALA 36 6.259 -1.289 3.968 294 H VAL 37 H VAL 37 2.927 -3.875 4.170 295 HA VAL 37 HA VAL 37 1.042 -2.987 2.098 296 HB VAL 37 HB VAL 37 0.845 -5.550 3.707 297 HG11 VAL 37 HG11 VAL 37 -0.980 -6.109 2.173 298 HG12 VAL 37 HG12 VAL 37 -0.805 -4.542 1.385 299 HG13 VAL 37 HG13 VAL 37 -1.328 -4.632 3.068 300 HG21 VAL 37 HG21 VAL 37 1.274 -6.672 1.558 301 HG22 VAL 37 HG22 VAL 37 2.656 -5.711 2.130 302 HG23 VAL 37 HG23 VAL 37 1.594 -5.078 0.862 303 H ILE 38 H ILE 38 -0.605 -1.842 2.749 304 HA ILE 38 HA ILE 38 -1.198 -1.633 5.590 305 HB ILE 38 HB ILE 38 -1.611 0.190 3.220 306 HG12 ILE 38 HG12 ILE 38 -0.010 0.617 5.721 307 HG13 ILE 38 HG13 ILE 38 0.654 0.016 4.203 308 HG21 ILE 38 HG21 ILE 38 -3.530 0.378 4.711 309 HG22 ILE 38 HG22 ILE 38 -2.517 1.824 4.745 310 HG23 ILE 38 HG23 ILE 38 -2.450 0.668 6.081 311 HD11 ILE 38 HD11 ILE 38 -0.826 2.619 4.361 312 HD12 ILE 38 HD12 ILE 38 0.237 1.881 3.115 313 HD13 ILE 38 HD13 ILE 38 0.940 2.450 4.616 314 H PHE 39 H PHE 39 -2.992 -2.666 6.155 315 HA PHE 39 HA PHE 39 -5.050 -3.179 4.135 316 HD1 PHE 39 HD1 PHE 39 -2.352 -5.169 6.461 317 HD2 PHE 39 HD2 PHE 39 -5.534 -6.236 3.861 318 HE1 PHE 39 HE1 PHE 39 -0.964 -6.953 5.504 319 HE2 PHE 39 HE2 PHE 39 -4.150 -8.027 2.895 320 HZ PHE 39 HZ PHE 39 -1.867 -8.387 3.714 321 HB2 PHE 39 HB2 PHE 39 -4.592 -4.419 6.851 322 HB3 PHE 39 HB3 PHE 39 -5.921 -4.830 5.780 323 H ILE 40 H ILE 40 -6.550 -1.744 4.155 324 HA ILE 40 HA ILE 40 -7.100 -0.263 6.589 325 HB ILE 40 HB ILE 40 -8.354 -0.025 3.849 326 HG12 ILE 40 HG12 ILE 40 -5.977 0.555 3.700 327 HG13 ILE 40 HG13 ILE 40 -6.975 1.996 3.576 328 HG21 ILE 40 HG21 ILE 40 -9.821 0.818 5.532 329 HG22 ILE 40 HG22 ILE 40 -9.136 2.181 4.651 330 HG23 ILE 40 HG23 ILE 40 -8.532 1.767 6.261 331 HD11 ILE 40 HD11 ILE 40 -6.424 2.621 5.833 332 HD12 ILE 40 HD12 ILE 40 -4.954 2.315 4.887 333 HD13 ILE 40 HD13 ILE 40 -5.508 1.122 6.041 334 H THR 41 H THR 41 -8.414 -1.205 7.955 335 HA THR 41 HA THR 41 -10.764 -2.505 6.871 336 HB THR 41 HB THR 41 -9.234 -4.243 7.736 337 HG1 THR 41 HG1 THR 41 -11.003 -5.159 8.253 338 HG21 THR 41 HG21 THR 41 -8.004 -2.936 9.389 339 HG22 THR 41 HG22 THR 41 -8.693 -4.379 10.137 340 HG23 THR 41 HG23 THR 41 -9.454 -2.808 10.387 341 H LYS 42 H LYS 42 -12.292 -2.763 8.937 342 HA LYS 42 HA LYS 42 -13.011 -0.024 9.467 343 HB2 LYS 42 HB2 LYS 42 -15.032 -0.992 10.474 344 HB3 LYS 42 HB3 LYS 42 -14.749 -1.451 8.810 345 HG2 LYS 42 HG2 LYS 42 -14.251 -3.643 9.308 346 HG3 LYS 42 HG3 LYS 42 -13.721 -3.257 10.942 347 HD2 LYS 42 HD2 LYS 42 -16.581 -3.162 9.992 348 HD3 LYS 42 HD3 LYS 42 -15.853 -4.514 10.872 349 HE2 LYS 42 HE2 LYS 42 -15.245 -2.942 12.678 350 HE3 LYS 42 HE3 LYS 42 -16.100 -1.673 11.858 351 HZ1 LYS 42 HZ1 LYS 42 -18.168 -3.001 12.035 352 HZ2 LYS 42 HZ2 LYS 42 -17.498 -2.616 13.533 353 HZ3 LYS 42 HZ3 LYS 42 -17.316 -4.160 12.921 354 H ARG 43 H ARG 43 -11.740 -2.692 11.406 355 HA ARG 43 HA ARG 43 -12.532 -1.346 13.855 356 HE ARG 43 HE ARG 43 -9.858 -5.148 14.761 357 HB2 ARG 43 HB2 ARG 43 -12.666 -3.813 13.703 358 HB3 ARG 43 HB3 ARG 43 -10.920 -3.882 13.507 359 HG2 ARG 43 HG2 ARG 43 -10.638 -2.906 15.747 360 HG3 ARG 43 HG3 ARG 43 -12.388 -2.870 15.939 361 HD2 ARG 43 HD2 ARG 43 -11.461 -4.802 17.073 362 HD3 ARG 43 HD3 ARG 43 -12.448 -5.312 15.708 363 HH11 ARG 43 HH11 ARG 43 -11.510 -6.968 17.279 364 HH12 ARG 43 HH12 ARG 43 -10.531 -8.342 17.153 365 HH21 ARG 43 HH21 ARG 43 -8.501 -7.030 14.558 366 HH22 ARG 43 HH22 ARG 43 -8.770 -8.391 15.553 367 H GLY 44 H GLY 44 -9.890 -1.458 11.825 368 HA2 GLY 44 HA2 GLY 44 -8.421 0.456 13.292 369 HA3 GLY 44 HA3 GLY 44 -7.797 -1.125 13.699 370 H LEU 45 H LEU 45 -5.874 -0.243 12.894 371 HA LEU 45 HA LEU 45 -5.647 -0.336 9.972 372 HG LEU 45 HG LEU 45 -2.995 2.490 10.179 373 HB2 LEU 45 HB2 LEU 45 -5.136 1.882 10.823 374 HB3 LEU 45 HB3 LEU 45 -4.125 1.217 12.067 375 HD11 LEU 45 HD11 LEU 45 -2.002 -0.293 10.775 376 HD12 LEU 45 HD12 LEU 45 -1.643 1.191 11.660 377 HD13 LEU 45 HD13 LEU 45 -1.055 1.000 10.024 378 HD21 LEU 45 HD21 LEU 45 -4.233 1.572 8.313 379 HD22 LEU 45 HD22 LEU 45 -3.577 -0.036 8.641 380 HD23 LEU 45 HD23 LEU 45 -2.506 1.272 8.130 381 H LYS 46 H LYS 46 -4.612 -2.012 9.203 382 HA LYS 46 HA LYS 46 -2.900 -3.588 10.988 383 HB2 LYS 46 HB2 LYS 46 -4.920 -4.781 10.427 384 HB3 LYS 46 HB3 LYS 46 -4.756 -4.411 8.729 385 HG2 LYS 46 HG2 LYS 46 -4.155 -6.713 9.046 386 HG3 LYS 46 HG3 LYS 46 -2.663 -5.820 8.743 387 HD2 LYS 46 HD2 LYS 46 -2.209 -5.809 11.156 388 HD3 LYS 46 HD3 LYS 46 -3.718 -6.702 11.403 389 HE2 LYS 46 HE2 LYS 46 -1.383 -7.665 9.776 390 HE3 LYS 46 HE3 LYS 46 -1.751 -8.182 11.421 391 HZ1 LYS 46 HZ1 LYS 46 -3.886 -9.088 10.539 392 HZ2 LYS 46 HZ2 LYS 46 -2.532 -9.785 9.852 393 HZ3 LYS 46 HZ3 LYS 46 -3.390 -8.664 8.976 394 H VAL 47 H VAL 47 -0.850 -3.554 10.386 395 HA VAL 47 HA VAL 47 -0.258 -2.948 7.578 396 HB VAL 47 HB VAL 47 0.373 -1.120 9.133 397 HG11 VAL 47 HG11 VAL 47 2.355 -1.450 10.590 398 HG12 VAL 47 HG12 VAL 47 2.200 -3.187 10.327 399 HG13 VAL 47 HG13 VAL 47 0.905 -2.295 11.132 400 HG21 VAL 47 HG21 VAL 47 1.583 -1.368 7.038 401 HG22 VAL 47 HG22 VAL 47 2.704 -2.500 7.796 402 HG23 VAL 47 HG23 VAL 47 2.679 -0.813 8.304 403 H CYS 48 H CYS 48 1.201 -4.172 6.580 404 HA CYS 48 HA CYS 48 2.524 -6.243 8.147 405 HB2 CYS 48 HB2 CYS 48 1.011 -6.571 5.601 406 HB3 CYS 48 HB3 CYS 48 2.370 -7.626 5.956 407 H ALA 49 H ALA 49 4.564 -6.625 7.743 408 HA ALA 49 HA ALA 49 5.707 -5.132 5.508 409 HB1 ALA 49 HB1 ALA 49 7.009 -5.968 8.093 410 HB2 ALA 49 HB2 ALA 49 6.463 -4.337 7.710 411 HB3 ALA 49 HB3 ALA 49 7.784 -5.068 6.792 412 H ASP 50 H ASP 50 6.381 -6.342 4.007 413 HA ASP 50 HA ASP 50 7.192 -9.100 4.517 414 HB2 ASP 50 HB2 ASP 50 5.264 -9.009 3.041 415 HB3 ASP 50 HB3 ASP 50 6.033 -7.808 2.025 416 HA PRO 51 HA PRO 51 10.956 -6.943 3.148 417 HB2 PRO 51 HB2 PRO 51 12.423 -8.159 5.209 418 HB3 PRO 51 HB3 PRO 51 11.840 -6.496 5.183 419 HG2 PRO 51 HG2 PRO 51 10.994 -8.478 6.956 420 HG3 PRO 51 HG3 PRO 51 10.146 -6.960 6.625 421 HD2 PRO 51 HD2 PRO 51 9.654 -9.692 5.532 422 HD3 PRO 51 HD3 PRO 51 8.495 -8.412 5.967 423 H GLN 52 H GLN 52 12.046 -7.701 1.688 424 HA GLN 52 HA GLN 52 13.318 -9.002 0.345 425 HB2 GLN 52 HB2 GLN 52 13.743 -10.735 2.744 426 HB3 GLN 52 HB3 GLN 52 14.815 -10.521 1.373 427 HG2 GLN 52 HG2 GLN 52 15.033 -8.105 2.075 428 HG3 GLN 52 HG3 GLN 52 14.164 -8.491 3.506 429 HE21 GLN 52 HE21 GLN 52 15.852 -8.225 4.940 430 HE22 GLN 52 HE22 GLN 52 17.221 -9.263 5.032 431 H ALA 53 H ALA 53 13.805 -11.462 -0.156 432 HA ALA 53 HA ALA 53 12.040 -13.543 0.324 433 HB1 ALA 53 HB1 ALA 53 10.388 -12.245 -0.986 434 HB2 ALA 53 HB2 ALA 53 10.856 -13.711 -1.844 435 HB3 ALA 53 HB3 ALA 53 11.528 -12.153 -2.325 436 H THR 54 H THR 54 13.321 -12.346 -2.696 437 HA THR 54 HA THR 54 15.707 -13.973 -2.520 438 HB THR 54 HB THR 54 15.330 -14.525 -5.009 439 HG1 THR 54 HG1 THR 54 12.973 -14.658 -5.470 440 HG21 THR 54 HG21 THR 54 13.441 -15.814 -3.020 441 HG22 THR 54 HG22 THR 54 15.127 -16.264 -3.279 442 HG23 THR 54 HG23 THR 54 13.944 -16.517 -4.560 443 H TRP 55 H TRP 55 13.888 -12.006 -4.784 444 HA TRP 55 HA TRP 55 15.874 -9.870 -4.555 445 HD1 TRP 55 HD1 TRP 55 15.480 -13.061 -7.583 446 HE1 TRP 55 HE1 TRP 55 17.863 -13.953 -7.914 447 HE3 TRP 55 HE3 TRP 55 18.085 -8.938 -6.062 448 HZ2 TRP 55 HZ2 TRP 55 20.517 -13.022 -7.571 449 HZ3 TRP 55 HZ3 TRP 55 20.540 -9.016 -6.088 450 HH2 TRP 55 HH2 TRP 55 21.732 -11.017 -6.826 451 HB2 TRP 55 HB2 TRP 55 14.452 -10.736 -7.098 452 HB3 TRP 55 HB3 TRP 55 15.550 -9.371 -6.952 453 H VAL 56 H VAL 56 14.930 -7.846 -4.417 454 HA VAL 56 HA VAL 56 12.003 -7.826 -4.189 455 HB VAL 56 HB VAL 56 14.017 -5.817 -3.098 456 HG11 VAL 56 HG11 VAL 56 11.056 -6.078 -2.578 457 HG12 VAL 56 HG12 VAL 56 11.825 -4.831 -3.551 458 HG13 VAL 56 HG13 VAL 56 12.139 -4.913 -1.815 459 HG21 VAL 56 HG21 VAL 56 12.483 -7.981 -1.650 460 HG22 VAL 56 HG22 VAL 56 13.497 -6.758 -0.884 461 HG23 VAL 56 HG23 VAL 56 14.220 -7.962 -1.951 462 H ARG 57 H ARG 57 10.892 -6.816 -5.771 463 HA ARG 57 HA ARG 57 12.349 -5.570 -7.889 464 HE ARG 57 HE ARG 57 9.661 -4.302 -11.677 465 HB2 ARG 57 HB2 ARG 57 10.368 -6.990 -8.360 466 HB3 ARG 57 HB3 ARG 57 9.352 -5.817 -7.529 467 HG2 ARG 57 HG2 ARG 57 10.085 -4.101 -9.162 468 HG3 ARG 57 HG3 ARG 57 10.958 -5.359 -10.021 469 HD2 ARG 57 HD2 ARG 57 8.861 -6.512 -10.465 470 HD3 ARG 57 HD3 ARG 57 7.983 -5.274 -9.557 471 HH11 ARG 57 HH11 ARG 57 6.368 -5.314 -10.847 472 HH12 ARG 57 HH12 ARG 57 5.649 -4.441 -12.100 473 HH21 ARG 57 HH21 ARG 57 8.676 -3.079 -13.348 474 HH22 ARG 57 HH22 ARG 57 6.993 -3.151 -13.589 475 H ASP 58 H ASP 58 12.289 -3.495 -8.564 476 HA ASP 58 HA ASP 58 11.327 -1.455 -6.714 477 HB2 ASP 58 HB2 ASP 58 13.119 -1.330 -9.158 478 HB3 ASP 58 HB3 ASP 58 12.521 0.089 -8.327 479 H VAL 59 H VAL 59 9.203 -1.011 -7.108 480 HA VAL 59 HA VAL 59 8.571 -0.280 -9.826 481 HB VAL 59 HB VAL 59 7.703 -2.576 -9.671 482 HG11 VAL 59 HG11 VAL 59 5.870 -3.175 -8.163 483 HG12 VAL 59 HG12 VAL 59 6.078 -1.629 -7.329 484 HG13 VAL 59 HG13 VAL 59 7.379 -2.821 -7.326 485 HG21 VAL 59 HG21 VAL 59 5.486 -0.528 -9.671 486 HG22 VAL 59 HG22 VAL 59 5.351 -2.175 -10.291 487 HG23 VAL 59 HG23 VAL 59 6.456 -1.031 -11.055 488 H VAL 60 H VAL 60 7.533 1.544 -10.006 489 HA VAL 60 HA VAL 60 7.029 3.044 -7.587 490 HB VAL 60 HB VAL 60 6.729 3.885 -10.482 491 HG11 VAL 60 HG11 VAL 60 6.831 6.173 -9.626 492 HG12 VAL 60 HG12 VAL 60 6.898 5.552 -7.979 493 HG13 VAL 60 HG13 VAL 60 5.453 5.295 -8.959 494 HG21 VAL 60 HG21 VAL 60 8.916 4.982 -10.205 495 HG22 VAL 60 HG22 VAL 60 9.027 3.234 -10.007 496 HG23 VAL 60 HG23 VAL 60 9.052 4.284 -8.591 497 HA VAL 1 HA VAL 1 11.711 5.886 22.084 498 HB VAL 1 HB VAL 1 10.894 5.628 19.750 499 H1 VAL 1 H1 VAL 1 9.511 5.422 23.557 500 HG11 VAL 1 HG11 VAL 1 10.969 3.054 21.321 501 HG12 VAL 1 HG12 VAL 1 12.361 3.931 20.689 502 HG13 VAL 1 HG13 VAL 1 11.209 3.191 19.579 503 HG21 VAL 1 HG21 VAL 1 8.486 5.610 20.210 504 HG22 VAL 1 HG22 VAL 1 8.650 4.049 21.008 505 HG23 VAL 1 HG23 VAL 1 8.952 4.193 19.275 506 H GLY 2 H GLY 2 10.937 7.607 20.193 507 HA2 GLY 2 HA2 GLY 2 9.785 9.703 21.771 508 HA3 GLY 2 HA3 GLY 2 10.357 9.826 20.114 509 H SER 3 H SER 3 8.321 7.325 20.090 510 HA SER 3 HA SER 3 6.159 8.864 18.951 511 HG SER 3 HG SER 3 7.384 7.661 17.373 512 HB2 SER 3 HB2 SER 3 6.438 5.879 19.315 513 HB3 SER 3 HB3 SER 3 5.304 6.713 18.253 514 H GLU 4 H GLU 4 4.754 9.696 20.404 515 HA GLU 4 HA GLU 4 3.994 8.192 22.784 516 HB2 GLU 4 HB2 GLU 4 3.009 10.853 21.723 517 HB3 GLU 4 HB3 GLU 4 2.673 10.182 23.311 518 HG2 GLU 4 HG2 GLU 4 4.949 10.384 23.970 519 HG3 GLU 4 HG3 GLU 4 5.439 10.825 22.336 520 H VAL 5 H VAL 5 2.663 6.543 22.292 521 HA VAL 5 HA VAL 5 0.521 7.072 20.394 522 HB VAL 5 HB VAL 5 0.833 4.763 19.465 523 HG11 VAL 5 HG11 VAL 5 2.776 5.363 18.068 524 HG12 VAL 5 HG12 VAL 5 3.163 6.663 19.193 525 HG13 VAL 5 HG13 VAL 5 1.662 6.716 18.266 526 HG21 VAL 5 HG21 VAL 5 2.126 3.774 21.298 527 HG22 VAL 5 HG22 VAL 5 3.462 4.876 20.961 528 HG23 VAL 5 HG23 VAL 5 3.008 3.652 19.773 529 H SER 6 H SER 6 -1.362 6.789 21.291 530 HA SER 6 HA SER 6 -1.887 4.387 22.775 531 HG SER 6 HG SER 6 -0.335 5.371 24.144 532 HB2 SER 6 HB2 SER 6 -2.320 7.090 24.063 533 HB3 SER 6 HB3 SER 6 -2.959 5.568 24.684 534 H ASP 7 H ASP 7 -3.807 7.432 22.590 535 HA ASP 7 HA ASP 7 -5.779 5.800 21.159 536 HB2 ASP 7 HB2 ASP 7 -6.364 7.786 23.345 537 HB3 ASP 7 HB3 ASP 7 -7.586 7.090 22.297 538 H LYS 8 H LYS 8 -3.950 8.535 20.921 539 HA LYS 8 HA LYS 8 -5.814 9.826 19.035 540 HB2 LYS 8 HB2 LYS 8 -3.017 10.594 19.870 541 HB3 LYS 8 HB3 LYS 8 -4.019 11.471 18.728 542 HG2 LYS 8 HG2 LYS 8 -5.654 11.882 20.484 543 HG3 LYS 8 HG3 LYS 8 -4.619 11.048 21.643 544 HD2 LYS 8 HD2 LYS 8 -2.865 12.669 21.276 545 HD3 LYS 8 HD3 LYS 8 -3.834 13.466 20.037 546 HE2 LYS 8 HE2 LYS 8 -5.537 13.981 21.725 547 HE3 LYS 8 HE3 LYS 8 -4.535 13.212 22.957 548 HZ1 LYS 8 HZ1 LYS 8 -3.773 15.568 21.337 549 HZ2 LYS 8 HZ2 LYS 8 -2.827 14.870 22.553 550 HZ3 LYS 8 HZ3 LYS 8 -4.285 15.618 22.935 551 H ARG 9 H ARG 9 -2.586 8.508 18.968 552 HA ARG 9 HA ARG 9 -3.184 7.563 16.271 553 HE ARG 9 HE ARG 9 -2.445 12.199 14.580 554 HB2 ARG 9 HB2 ARG 9 -0.664 8.982 17.102 555 HB3 ARG 9 HB3 ARG 9 -1.025 8.279 15.537 556 HG2 ARG 9 HG2 ARG 9 -2.771 9.904 15.147 557 HG3 ARG 9 HG3 ARG 9 -2.543 10.574 16.751 558 HD2 ARG 9 HD2 ARG 9 -0.275 11.264 16.190 559 HD3 ARG 9 HD3 ARG 9 -0.406 10.482 14.614 560 HH11 ARG 9 HH11 ARG 9 1.008 12.626 15.268 561 HH12 ARG 9 HH12 ARG 9 1.052 14.225 14.687 562 HH21 ARG 9 HH21 ARG 9 -2.341 14.408 13.783 563 HH22 ARG 9 HH22 ARG 9 -0.866 15.252 13.844 564 H THR 10 H THR 10 -2.476 5.449 16.121 565 HA THR 10 HA THR 10 -0.512 4.769 18.107 566 HB THR 10 HB THR 10 -2.298 2.821 16.622 567 HG1 THR 10 HG1 THR 10 -2.905 4.498 18.594 568 HG21 THR 10 HG21 THR 10 -1.523 1.270 18.359 569 HG22 THR 10 HG22 THR 10 -0.566 2.580 19.069 570 HG23 THR 10 HG23 THR 10 -0.158 1.971 17.467 571 H CYS 11 H CYS 11 1.447 4.225 17.360 572 HA CYS 11 HA CYS 11 1.711 3.551 14.546 573 HB2 CYS 11 HB2 CYS 11 3.483 5.576 16.013 574 HB3 CYS 11 HB3 CYS 11 3.542 5.169 14.311 575 H VAL 12 H VAL 12 3.650 2.204 14.274 576 HA VAL 12 HA VAL 12 4.757 1.137 16.772 577 HB VAL 12 HB VAL 12 3.304 -0.589 14.728 578 HG11 VAL 12 HG11 VAL 12 4.647 -1.379 17.300 579 HG12 VAL 12 HG12 VAL 12 5.215 -1.753 15.671 580 HG13 VAL 12 HG13 VAL 12 3.700 -2.444 16.274 581 HG21 VAL 12 HG21 VAL 12 1.700 -1.089 16.537 582 HG22 VAL 12 HG22 VAL 12 1.724 0.624 16.133 583 HG23 VAL 12 HG23 VAL 12 2.542 0.051 17.582 584 H SER 13 H SER 13 6.788 0.320 16.522 585 HA SER 13 HA SER 13 7.904 0.218 13.825 586 HG SER 13 HG SER 13 8.845 -0.202 17.150 587 HB2 SER 13 HB2 SER 13 10.092 0.316 15.086 588 HB3 SER 13 HB3 SER 13 9.100 1.777 15.156 589 H LEU 14 H LEU 14 8.406 -1.689 13.019 590 HA LEU 14 HA LEU 14 8.974 -3.863 14.857 591 HG LEU 14 HG LEU 14 7.014 -2.978 11.810 592 HB2 LEU 14 HB2 LEU 14 7.881 -5.436 13.211 593 HB3 LEU 14 HB3 LEU 14 6.759 -4.352 14.011 594 HD11 LEU 14 HD11 LEU 14 7.384 -4.360 9.834 595 HD12 LEU 14 HD12 LEU 14 7.944 -5.675 10.867 596 HD13 LEU 14 HD13 LEU 14 8.825 -4.154 10.820 597 HD21 LEU 14 HD21 LEU 14 5.175 -4.258 10.801 598 HD22 LEU 14 HD22 LEU 14 4.948 -4.004 12.531 599 HD23 LEU 14 HD23 LEU 14 5.488 -5.571 11.932 600 H THR 15 H THR 15 10.687 -5.116 14.342 601 HA THR 15 HA THR 15 12.144 -4.201 12.006 602 HB THR 15 HB THR 15 13.166 -3.246 13.993 603 HG1 THR 15 HG1 THR 15 14.774 -3.560 12.809 604 HG21 THR 15 HG21 THR 15 12.412 -4.809 15.692 605 HG22 THR 15 HG22 THR 15 14.164 -4.637 15.769 606 HG23 THR 15 HG23 THR 15 13.448 -6.075 15.032 607 H THR 16 H THR 16 12.747 -5.748 10.633 608 HA THR 16 HA THR 16 13.126 -8.423 11.444 609 HB THR 16 HB THR 16 10.752 -8.545 11.574 610 HG1 THR 16 HG1 THR 16 11.309 -9.546 8.997 611 HG21 THR 16 HG21 THR 16 9.224 -7.910 9.735 612 HG22 THR 16 HG22 THR 16 10.604 -7.266 8.836 613 HG23 THR 16 HG23 THR 16 10.123 -6.526 10.357 614 H GLN 17 H GLN 17 14.753 -8.978 10.301 615 HA GLN 17 HA GLN 17 16.374 -8.931 8.718 616 HB2 GLN 17 HB2 GLN 17 15.808 -10.384 6.802 617 HB3 GLN 17 HB3 GLN 17 15.242 -11.013 8.336 618 HG2 GLN 17 HG2 GLN 17 12.972 -10.224 7.790 619 HG3 GLN 17 HG3 GLN 17 13.590 -9.630 6.247 620 HE21 GLN 17 HE21 GLN 17 12.218 -11.004 5.046 621 HE22 GLN 17 HE22 GLN 17 12.499 -12.674 4.933 622 H ARG 18 H ARG 18 16.999 -6.912 8.245 623 HA ARG 18 HA ARG 18 15.914 -5.934 5.744 624 HE ARG 18 HE ARG 18 15.072 -3.570 4.577 625 HB2 ARG 18 HB2 ARG 18 16.542 -4.307 8.173 626 HB3 ARG 18 HB3 ARG 18 16.333 -3.679 6.530 627 HG2 ARG 18 HG2 ARG 18 14.218 -5.249 7.973 628 HG3 ARG 18 HG3 ARG 18 14.306 -3.485 7.977 629 HD2 ARG 18 HD2 ARG 18 13.954 -5.287 5.579 630 HD3 ARG 18 HD3 ARG 18 12.795 -4.129 6.235 631 HH11 ARG 18 HH11 ARG 18 12.677 -2.185 6.786 632 HH12 ARG 18 HH12 ARG 18 13.027 -0.583 6.376 633 HH21 ARG 18 HH21 ARG 18 15.512 -1.314 3.980 634 HH22 ARG 18 HH22 ARG 18 14.618 -0.088 4.752 635 H LEU 19 H LEU 19 17.289 -4.969 4.299 636 HA LEU 19 HA LEU 19 20.135 -5.205 4.771 637 HG LEU 19 HG LEU 19 19.933 -6.900 2.699 638 HB2 LEU 19 HB2 LEU 19 18.590 -4.231 2.333 639 HB3 LEU 19 HB3 LEU 19 20.321 -4.399 2.395 640 HD11 LEU 19 HD11 LEU 19 17.146 -6.182 1.818 641 HD12 LEU 19 HD12 LEU 19 17.595 -6.839 3.386 642 HD13 LEU 19 HD13 LEU 19 17.807 -7.804 1.934 643 HD21 LEU 19 HD21 LEU 19 20.686 -5.933 0.604 644 HD22 LEU 19 HD22 LEU 19 19.015 -5.592 0.146 645 HD23 LEU 19 HD23 LEU 19 19.563 -7.259 0.312 646 HA PRO 20 HA PRO 20 20.461 -0.998 5.996 647 HB2 PRO 20 HB2 PRO 20 22.798 -0.183 4.836 648 HB3 PRO 20 HB3 PRO 20 22.725 -1.205 6.273 649 HG2 PRO 20 HG2 PRO 20 23.187 -1.964 3.427 650 HG3 PRO 20 HG3 PRO 20 23.951 -2.599 4.894 651 HD2 PRO 20 HD2 PRO 20 21.957 -3.875 3.565 652 HD3 PRO 20 HD3 PRO 20 22.197 -4.040 5.324 653 H VAL 21 H VAL 21 19.657 0.804 5.386 654 HA VAL 21 HA VAL 21 19.638 1.656 2.588 655 HB VAL 21 HB VAL 21 17.247 1.696 4.492 656 HG11 VAL 21 HG11 VAL 21 17.454 2.748 1.668 657 HG12 VAL 21 HG12 VAL 21 17.265 3.707 3.135 658 HG13 VAL 21 HG13 VAL 21 15.971 2.630 2.614 659 HG21 VAL 21 HG21 VAL 21 16.167 0.235 2.845 660 HG22 VAL 21 HG22 VAL 21 17.622 -0.501 3.515 661 HG23 VAL 21 HG23 VAL 21 17.654 0.206 1.900 662 H SER 22 H SER 22 20.153 3.786 2.370 663 HA SER 22 HA SER 22 20.827 5.177 4.853 664 HG SER 22 HG SER 22 23.173 4.416 2.295 665 HB2 SER 22 HB2 SER 22 21.649 5.775 2.015 666 HB3 SER 22 HB3 SER 22 22.290 6.538 3.469 667 H ARG 23 H ARG 23 18.205 5.089 2.970 668 HA ARG 23 HA ARG 23 17.721 7.967 3.217 669 HE ARG 23 HE ARG 23 19.743 8.202 -1.012 670 HB2 ARG 23 HB2 ARG 23 16.569 6.064 1.166 671 HB3 ARG 23 HB3 ARG 23 15.948 7.672 1.449 672 HG2 ARG 23 HG2 ARG 23 17.310 7.726 -0.497 673 HG3 ARG 23 HG3 ARG 23 18.167 8.573 0.774 674 HD2 ARG 23 HD2 ARG 23 19.570 6.621 1.144 675 HD3 ARG 23 HD3 ARG 23 18.680 5.730 -0.091 676 HH11 ARG 23 HH11 ARG 23 20.546 4.781 -0.488 677 HH12 ARG 23 HH12 ARG 23 21.772 4.765 -1.667 678 HH21 ARG 23 HH21 ARG 23 21.421 8.123 -2.645 679 HH22 ARG 23 HH22 ARG 23 22.281 6.682 -2.912 680 H ILE 24 H ILE 24 15.937 8.606 4.266 681 HA ILE 24 HA ILE 24 14.233 6.520 5.417 682 HB ILE 24 HB ILE 24 14.399 9.487 6.067 683 HG12 ILE 24 HG12 ILE 24 16.440 8.315 6.779 684 HG13 ILE 24 HG13 ILE 24 15.497 8.821 8.173 685 HG21 ILE 24 HG21 ILE 24 12.862 7.287 7.459 686 HG22 ILE 24 HG22 ILE 24 12.180 8.615 6.521 687 HG23 ILE 24 HG23 ILE 24 13.017 8.945 8.038 688 HD11 ILE 24 HD11 ILE 24 15.621 6.030 7.030 689 HD12 ILE 24 HD12 ILE 24 14.673 6.530 8.430 690 HD13 ILE 24 HD13 ILE 24 16.434 6.603 8.488 691 H LYS 25 H LYS 25 12.463 6.134 4.286 692 HA LYS 25 HA LYS 25 11.445 8.269 2.538 693 HB2 LYS 25 HB2 LYS 25 10.829 5.309 2.413 694 HB3 LYS 25 HB3 LYS 25 10.212 6.540 1.350 695 HG2 LYS 25 HG2 LYS 25 13.106 5.770 1.596 696 HG3 LYS 25 HG3 LYS 25 12.006 5.255 0.319 697 HD2 LYS 25 HD2 LYS 25 11.670 7.671 -0.231 698 HD3 LYS 25 HD3 LYS 25 12.964 8.052 0.910 699 HE2 LYS 25 HE2 LYS 25 13.868 7.971 -1.298 700 HE3 LYS 25 HE3 LYS 25 14.460 6.578 -0.386 701 HZ1 LYS 25 HZ1 LYS 25 13.786 5.880 -2.604 702 HZ2 LYS 25 HZ2 LYS 25 12.292 6.582 -2.418 703 HZ3 LYS 25 HZ3 LYS 25 12.652 5.222 -1.535 704 H THR 26 H THR 26 9.388 8.966 2.680 705 HA THR 26 HA THR 26 7.660 7.788 4.784 706 HB THR 26 HB THR 26 6.770 10.069 5.114 707 HG1 THR 26 HG1 THR 26 7.735 10.701 2.913 708 HG21 THR 26 HG21 THR 26 9.756 9.864 5.514 709 HG22 THR 26 HG22 THR 26 8.505 9.275 6.607 710 HG23 THR 26 HG23 THR 26 8.691 11.005 6.342 711 H TYR 27 H TYR 27 5.855 7.068 4.096 712 HA TYR 27 HA TYR 27 4.849 8.042 1.527 713 HD1 TYR 27 HD1 TYR 27 4.824 6.549 -0.844 714 HD2 TYR 27 HD2 TYR 27 7.309 4.966 2.198 715 HE1 TYR 27 HE1 TYR 27 6.610 6.396 -2.444 716 HE2 TYR 27 HE2 TYR 27 9.166 4.780 0.600 717 HH TYR 27 HH TYR 27 9.608 4.688 -1.745 718 HB2 TYR 27 HB2 TYR 27 4.947 5.209 2.524 719 HB3 TYR 27 HB3 TYR 27 3.897 5.719 1.206 720 H THR 28 H THR 28 2.879 8.620 1.449 721 HA THR 28 HA THR 28 1.407 8.256 3.946 722 HB THR 28 HB THR 28 0.340 10.483 3.596 723 HG1 THR 28 HG1 THR 28 2.119 11.397 1.743 724 HG21 THR 28 HG21 THR 28 3.358 10.588 3.441 725 HG22 THR 28 HG22 THR 28 2.436 10.339 4.916 726 HG23 THR 28 HG23 THR 28 2.312 11.869 4.046 727 H ILE 29 H ILE 29 -0.567 7.417 3.871 728 HA ILE 29 HA ILE 29 -2.093 7.478 1.362 729 HB ILE 29 HB ILE 29 -1.633 5.045 3.111 730 HG12 ILE 29 HG12 ILE 29 -0.955 5.530 0.204 731 HG13 ILE 29 HG13 ILE 29 0.194 5.542 1.535 732 HG21 ILE 29 HG21 ILE 29 -3.102 3.828 1.579 733 HG22 ILE 29 HG22 ILE 29 -3.460 5.328 0.716 734 HG23 ILE 29 HG23 ILE 29 -3.964 5.133 2.395 735 HD11 ILE 29 HD11 ILE 29 0.297 3.449 0.349 736 HD12 ILE 29 HD12 ILE 29 -1.447 3.222 0.608 737 HD13 ILE 29 HD13 ILE 29 -0.353 3.236 1.983 738 H THR 30 H THR 30 -4.139 8.180 1.758 739 HA THR 30 HA THR 30 -5.124 7.798 4.472 740 HB THR 30 HB THR 30 -4.654 10.189 4.054 741 HG1 THR 30 HG1 THR 30 -6.640 9.323 5.191 742 HG21 THR 30 HG21 THR 30 -6.677 9.960 1.823 743 HG22 THR 30 HG22 THR 30 -4.957 10.281 1.634 744 HG23 THR 30 HG23 THR 30 -5.991 11.471 2.425 745 H GLU 31 H GLU 31 -7.122 6.915 4.652 746 HA GLU 31 HA GLU 31 -8.608 6.475 2.200 747 HB2 GLU 31 HB2 GLU 31 -7.107 4.587 2.339 748 HB3 GLU 31 HB3 GLU 31 -7.617 4.265 3.988 749 HG2 GLU 31 HG2 GLU 31 -8.583 2.737 2.353 750 HG3 GLU 31 HG3 GLU 31 -9.789 3.644 3.262 751 H GLY 32 H GLY 32 -10.531 7.235 2.660 752 HA2 GLY 32 HA2 GLY 32 -12.633 7.301 3.578 753 HA3 GLY 32 HA3 GLY 32 -12.135 6.047 4.703 754 H SER 33 H SER 33 -10.522 6.853 6.305 755 HA SER 33 HA SER 33 -11.164 9.556 7.254 756 HG SER 33 HG SER 33 -13.407 8.586 7.866 757 HB2 SER 33 HB2 SER 33 -11.263 7.161 9.084 758 HB3 SER 33 HB3 SER 33 -11.732 8.812 9.449 759 H LEU 34 H LEU 34 -9.057 6.669 7.399 760 HA LEU 34 HA LEU 34 -7.368 7.934 9.370 761 HG LEU 34 HG LEU 34 -6.033 5.163 7.191 762 HB2 LEU 34 HB2 LEU 34 -6.076 5.890 9.548 763 HB3 LEU 34 HB3 LEU 34 -7.780 5.480 9.607 764 HD11 LEU 34 HD11 LEU 34 -5.957 2.788 7.849 765 HD12 LEU 34 HD12 LEU 34 -6.815 3.183 9.342 766 HD13 LEU 34 HD13 LEU 34 -5.196 3.827 9.053 767 HD21 LEU 34 HD21 LEU 34 -8.438 5.244 6.751 768 HD22 LEU 34 HD22 LEU 34 -8.706 3.977 7.936 769 HD23 LEU 34 HD23 LEU 34 -7.807 3.651 6.445 770 H ARG 35 H ARG 35 -5.473 8.653 9.164 771 HA ARG 35 HA ARG 35 -4.250 8.856 6.469 772 HE ARG 35 HE ARG 35 -3.856 12.876 7.097 773 HB2 ARG 35 HB2 ARG 35 -4.508 10.922 7.892 774 HB3 ARG 35 HB3 ARG 35 -3.444 10.172 9.070 775 HG2 ARG 35 HG2 ARG 35 -1.989 11.579 7.901 776 HG3 ARG 35 HG3 ARG 35 -1.780 10.018 7.106 777 HD2 ARG 35 HD2 ARG 35 -1.951 11.757 5.448 778 HD3 ARG 35 HD3 ARG 35 -3.372 10.711 5.374 779 HH11 ARG 35 HH11 ARG 35 -3.525 12.273 3.606 780 HH12 ARG 35 HH12 ARG 35 -4.567 13.545 3.139 781 HH21 ARG 35 HH21 ARG 35 -5.273 14.666 6.424 782 HH22 ARG 35 HH22 ARG 35 -5.595 14.925 4.797 783 H ALA 36 H ALA 36 -2.807 7.127 6.075 784 HA ALA 36 HA ALA 36 -1.352 6.065 8.380 785 HB1 ALA 36 HB1 ALA 36 -2.764 4.441 7.200 786 HB2 ALA 36 HB2 ALA 36 -1.053 4.048 7.018 787 HB3 ALA 36 HB3 ALA 36 -1.928 4.813 5.692 788 H VAL 37 H VAL 37 0.809 6.240 8.426 789 HA VAL 37 HA VAL 37 2.186 7.061 5.974 790 HB VAL 37 HB VAL 37 2.839 8.081 8.766 791 HG11 VAL 37 HG11 VAL 37 4.503 9.500 7.643 792 HG12 VAL 37 HG12 VAL 37 4.113 8.730 6.102 793 HG13 VAL 37 HG13 VAL 37 4.843 7.787 7.400 794 HG21 VAL 37 HG21 VAL 37 0.873 9.200 7.907 795 HG22 VAL 37 HG22 VAL 37 1.699 9.420 6.367 796 HG23 VAL 37 HG23 VAL 37 2.275 10.296 7.787 797 H ILE 38 H ILE 38 3.862 5.879 5.450 798 HA ILE 38 HA ILE 38 4.838 3.872 7.299 799 HB ILE 38 HB ILE 38 4.794 4.171 4.304 800 HG12 ILE 38 HG12 ILE 38 3.650 2.031 6.069 801 HG13 ILE 38 HG13 ILE 38 2.746 3.399 5.424 802 HG21 ILE 38 HG21 ILE 38 6.128 1.975 5.871 803 HG22 ILE 38 HG22 ILE 38 6.948 3.231 4.930 804 HG23 ILE 38 HG23 ILE 38 5.915 2.058 4.115 805 HD11 ILE 38 HD11 ILE 38 2.972 2.718 3.312 806 HD12 ILE 38 HD12 ILE 38 2.502 1.260 4.168 807 HD13 ILE 38 HD13 ILE 38 4.200 1.463 3.653 808 H PHE 39 H PHE 39 6.828 4.230 8.093 809 HA PHE 39 HA PHE 39 8.556 6.125 6.664 810 HD1 PHE 39 HD1 PHE 39 6.413 5.873 10.156 811 HD2 PHE 39 HD2 PHE 39 9.131 8.644 8.429 812 HE1 PHE 39 HE1 PHE 39 4.973 7.732 10.875 813 HE2 PHE 39 HE2 PHE 39 7.689 10.508 9.149 814 HZ PHE 39 HZ PHE 39 5.607 10.044 10.375 815 HB2 PHE 39 HB2 PHE 39 8.668 5.244 9.570 816 HB3 PHE 39 HB3 PHE 39 9.778 6.364 8.801 817 H ILE 40 H ILE 40 9.946 5.154 5.501 818 HA ILE 40 HA ILE 40 10.687 2.423 6.139 819 HB ILE 40 HB ILE 40 11.437 4.109 3.761 820 HG12 ILE 40 HG12 ILE 40 9.032 3.632 3.725 821 HG13 ILE 40 HG13 ILE 40 9.860 2.696 2.492 822 HG21 ILE 40 HG21 ILE 40 12.161 1.961 2.746 823 HG22 ILE 40 HG22 ILE 40 11.915 1.195 4.328 824 HG23 ILE 40 HG23 ILE 40 13.116 2.462 4.141 825 HD11 ILE 40 HD11 ILE 40 9.698 0.694 3.879 826 HD12 ILE 40 HD12 ILE 40 8.128 1.445 3.596 827 HD13 ILE 40 HD13 ILE 40 8.903 1.666 5.142 828 H THR 41 H THR 41 12.230 2.211 7.443 829 HA THR 41 HA THR 41 14.568 3.918 7.180 830 HB THR 41 HB THR 41 13.532 4.341 9.340 831 HG1 THR 41 HG1 THR 41 15.348 4.165 10.426 832 HG21 THR 41 HG21 THR 41 12.167 2.319 9.541 833 HG22 THR 41 HG22 THR 41 13.146 2.545 10.991 834 HG23 THR 41 HG23 THR 41 13.619 1.348 9.787 835 H LYS 42 H LYS 42 16.424 2.594 8.200 836 HA LYS 42 HA LYS 42 16.595 0.051 6.772 837 HB2 LYS 42 HB2 LYS 42 18.940 0.151 7.453 838 HB3 LYS 42 HB3 LYS 42 18.434 1.561 6.540 839 HG2 LYS 42 HG2 LYS 42 18.437 2.969 8.386 840 HG3 LYS 42 HG3 LYS 42 18.350 1.631 9.529 841 HD2 LYS 42 HD2 LYS 42 20.708 2.264 7.779 842 HD3 LYS 42 HD3 LYS 42 20.553 2.734 9.477 843 HE2 LYS 42 HE2 LYS 42 20.200 0.321 10.019 844 HE3 LYS 42 HE3 LYS 42 20.560 -0.059 8.368 845 HZ1 LYS 42 HZ1 LYS 42 22.567 -0.299 9.683 846 HZ2 LYS 42 HZ2 LYS 42 22.449 1.293 10.209 847 HZ3 LYS 42 HZ3 LYS 42 22.762 0.950 8.590 848 H ARG 43 H ARG 43 15.870 1.284 9.798 849 HA ARG 43 HA ARG 43 16.981 -0.870 11.380 850 HE ARG 43 HE ARG 43 14.532 2.564 13.925 851 HB2 ARG 43 HB2 ARG 43 17.053 1.438 12.213 852 HB3 ARG 43 HB3 ARG 43 15.315 1.565 12.079 853 HG2 ARG 43 HG2 ARG 43 15.008 0.035 13.893 854 HG3 ARG 43 HG3 ARG 43 16.730 -0.328 13.938 855 HD2 ARG 43 HD2 ARG 43 16.059 1.238 15.720 856 HD3 ARG 43 HD3 ARG 43 17.238 1.947 14.620 857 HH11 ARG 43 HH11 ARG 43 17.133 3.459 16.159 858 HH12 ARG 43 HH12 ARG 43 16.659 5.089 16.294 859 HH21 ARG 43 HH21 ARG 43 13.879 4.812 14.126 860 HH22 ARG 43 HH22 ARG 43 14.766 5.877 15.114 861 H GLY 44 H GLY 44 14.549 -0.644 9.443 862 HA2 GLY 44 HA2 GLY 44 13.131 -2.836 9.586 863 HA3 GLY 44 HA3 GLY 44 12.630 -2.160 11.124 864 H LEU 45 H LEU 45 10.502 -2.062 10.641 865 HA LEU 45 HA LEU 45 9.700 -0.097 8.623 866 HG LEU 45 HG LEU 45 6.813 -2.381 7.400 867 HB2 LEU 45 HB2 LEU 45 9.108 -2.301 7.791 868 HB3 LEU 45 HB3 LEU 45 8.438 -2.756 9.325 869 HD11 LEU 45 HD11 LEU 45 5.083 -1.271 8.759 870 HD12 LEU 45 HD12 LEU 45 6.302 -0.890 9.979 871 HD13 LEU 45 HD13 LEU 45 5.908 -2.567 9.594 872 HD21 LEU 45 HD21 LEU 45 7.422 0.518 7.962 873 HD22 LEU 45 HD22 LEU 45 6.102 -0.078 6.955 874 HD23 LEU 45 HD23 LEU 45 7.772 -0.355 6.468 875 H LYS 46 H LYS 46 8.704 1.546 9.378 876 HA LYS 46 HA LYS 46 7.569 1.441 12.081 877 HB2 LYS 46 HB2 LYS 46 9.548 2.856 11.832 878 HB3 LYS 46 HB3 LYS 46 8.811 3.667 10.476 879 HG2 LYS 46 HG2 LYS 46 8.571 5.169 12.298 880 HG3 LYS 46 HG3 LYS 46 6.999 4.384 12.150 881 HD2 LYS 46 HD2 LYS 46 7.508 2.920 13.977 882 HD3 LYS 46 HD3 LYS 46 9.148 3.574 14.080 883 HE2 LYS 46 HE2 LYS 46 8.167 5.813 14.517 884 HE3 LYS 46 HE3 LYS 46 6.575 5.066 14.557 885 HZ1 LYS 46 HZ1 LYS 46 8.827 4.441 16.373 886 HZ2 LYS 46 HZ2 LYS 46 7.292 3.754 16.486 887 HZ3 LYS 46 HZ3 LYS 46 7.518 5.406 16.748 888 H VAL 47 H VAL 47 5.436 1.597 12.009 889 HA VAL 47 HA VAL 47 4.159 2.851 9.680 890 HB VAL 47 HB VAL 47 3.594 0.440 10.017 891 HG11 VAL 47 HG11 VAL 47 2.475 1.394 12.638 892 HG12 VAL 47 HG12 VAL 47 3.765 0.215 12.410 893 HG13 VAL 47 HG13 VAL 47 2.107 -0.175 11.952 894 HG21 VAL 47 HG21 VAL 47 1.985 1.896 8.911 895 HG22 VAL 47 HG22 VAL 47 1.302 2.355 10.472 896 HG23 VAL 47 HG23 VAL 47 1.142 0.697 9.895 897 H CYS 48 H CYS 48 2.703 4.510 10.078 898 HA CYS 48 HA CYS 48 2.047 4.936 12.878 899 HB2 CYS 48 HB2 CYS 48 4.056 6.318 12.198 900 HB3 CYS 48 HB3 CYS 48 2.994 7.149 11.065 901 H ALA 49 H ALA 49 -0.032 5.650 13.158 902 HA ALA 49 HA ALA 49 -1.490 6.280 10.718 903 HB1 ALA 49 HB1 ALA 49 -3.333 4.897 11.445 904 HB2 ALA 49 HB2 ALA 49 -2.438 4.442 12.898 905 HB3 ALA 49 HB3 ALA 49 -1.860 3.936 11.311 906 H ASP 50 H ASP 50 -2.528 8.010 10.835 907 HA ASP 50 HA ASP 50 -3.345 9.096 13.435 908 HB2 ASP 50 HB2 ASP 50 -1.861 10.664 12.325 909 HB3 ASP 50 HB3 ASP 50 -2.784 10.581 10.839 910 HA PRO 51 HA PRO 51 -7.202 7.695 11.598 911 HB2 PRO 51 HB2 PRO 51 -8.160 7.972 14.312 912 HB3 PRO 51 HB3 PRO 51 -8.082 6.517 13.312 913 HG2 PRO 51 HG2 PRO 51 -6.503 6.861 15.459 914 HG3 PRO 51 HG3 PRO 51 -5.943 6.013 14.003 915 HD2 PRO 51 HD2 PRO 51 -5.413 8.817 14.884 916 HD3 PRO 51 HD3 PRO 51 -4.315 7.602 14.180 917 H GLN 52 H GLN 52 -8.572 8.875 10.759 918 HA GLN 52 HA GLN 52 -10.136 10.325 10.315 919 HB2 GLN 52 HB2 GLN 52 -10.103 11.102 13.209 920 HB3 GLN 52 HB3 GLN 52 -11.395 11.398 12.047 921 HG2 GLN 52 HG2 GLN 52 -11.596 8.955 11.748 922 HG3 GLN 52 HG3 GLN 52 -10.415 8.747 12.997 923 HE21 GLN 52 HE21 GLN 52 -11.825 7.711 14.366 924 HE22 GLN 52 HE22 GLN 52 -13.100 8.523 15.210 925 H ALA 53 H ALA 53 -8.679 11.312 9.064 926 HA ALA 53 HA ALA 53 -7.416 13.736 9.988 927 HB1 ALA 53 HB1 ALA 53 -6.581 13.888 7.678 928 HB2 ALA 53 HB2 ALA 53 -7.583 12.506 7.234 929 HB3 ALA 53 HB3 ALA 53 -6.257 12.302 8.377 930 H THR 54 H THR 54 -8.026 15.801 9.325 931 HA THR 54 HA THR 54 -10.749 16.261 9.174 932 HB THR 54 HB THR 54 -10.052 18.633 8.605 933 HG1 THR 54 HG1 THR 54 -7.808 19.032 8.772 934 HG21 THR 54 HG21 THR 54 -9.028 19.016 10.813 935 HG22 THR 54 HG22 THR 54 -8.718 17.287 10.962 936 HG23 THR 54 HG23 THR 54 -10.376 17.884 10.911 937 H TRP 55 H TRP 55 -8.339 16.175 6.613 938 HA TRP 55 HA TRP 55 -10.566 16.207 4.721 939 HD1 TRP 55 HD1 TRP 55 -7.843 19.615 5.744 940 HE1 TRP 55 HE1 TRP 55 -9.505 21.505 6.304 941 HE3 TRP 55 HE3 TRP 55 -11.987 17.809 3.357 942 HZ2 TRP 55 HZ2 TRP 55 -12.198 22.137 5.820 943 HZ3 TRP 55 HZ3 TRP 55 -14.067 19.113 3.465 944 HH2 TRP 55 HH2 TRP 55 -14.168 21.231 4.672 945 HB2 TRP 55 HB2 TRP 55 -7.876 17.520 4.281 946 HB3 TRP 55 HB3 TRP 55 -9.177 17.432 3.094 947 H VAL 56 H VAL 56 -10.733 14.221 4.070 948 HA VAL 56 HA VAL 56 -8.305 12.700 3.476 949 HB VAL 56 HB VAL 56 -11.139 11.688 3.989 950 HG11 VAL 56 HG11 VAL 56 -9.974 10.259 2.382 951 HG12 VAL 56 HG12 VAL 56 -10.191 9.448 3.932 952 HG13 VAL 56 HG13 VAL 56 -8.615 10.112 3.498 953 HG21 VAL 56 HG21 VAL 56 -10.174 10.720 6.012 954 HG22 VAL 56 HG22 VAL 56 -10.039 12.480 6.007 955 HG23 VAL 56 HG23 VAL 56 -8.631 11.481 5.641 956 H ARG 57 H ARG 57 -8.016 11.795 1.483 957 HA ARG 57 HA ARG 57 -9.955 12.432 -0.595 958 HE ARG 57 HE ARG 57 -7.356 13.598 -4.895 959 HB2 ARG 57 HB2 ARG 57 -8.292 14.211 -0.614 960 HB3 ARG 57 HB3 ARG 57 -6.994 13.036 -0.617 961 HG2 ARG 57 HG2 ARG 57 -7.629 12.312 -2.848 962 HG3 ARG 57 HG3 ARG 57 -8.988 13.439 -2.843 963 HD2 ARG 57 HD2 ARG 57 -7.474 15.320 -2.676 964 HD3 ARG 57 HD3 ARG 57 -6.093 14.240 -2.552 965 HH11 ARG 57 HH11 ARG 57 -5.841 16.505 -3.558 966 HH12 ARG 57 HH12 ARG 57 -5.314 17.081 -5.080 967 HH21 ARG 57 HH21 ARG 57 -6.616 14.424 -6.968 968 HH22 ARG 57 HH22 ARG 57 -5.765 15.889 -7.029 969 H ASP 58 H ASP 58 -10.178 10.803 -2.033 970 HA ASP 58 HA ASP 58 -9.039 8.286 -1.501 971 HB2 ASP 58 HB2 ASP 58 -10.604 9.321 -3.865 972 HB3 ASP 58 HB3 ASP 58 -10.063 7.656 -3.760 973 H VAL 59 H VAL 59 -7.006 7.866 -1.781 974 HA VAL 59 HA VAL 59 -5.577 9.245 -3.874 975 HB VAL 59 HB VAL 59 -4.554 9.352 -1.673 976 HG11 VAL 59 HG11 VAL 59 -4.370 6.352 -1.747 977 HG12 VAL 59 HG12 VAL 59 -5.356 7.327 -0.659 978 HG13 VAL 59 HG13 VAL 59 -3.597 7.389 -0.548 979 HG21 VAL 59 HG21 VAL 59 -2.276 8.569 -2.211 980 HG22 VAL 59 HG22 VAL 59 -3.039 9.401 -3.567 981 HG23 VAL 59 HG23 VAL 59 -2.934 7.643 -3.560 982 H VAL 60 H VAL 60 -5.505 8.397 -5.757 983 HA VAL 60 HA VAL 60 -5.179 5.492 -6.016 984 HB VAL 60 HB VAL 60 -6.468 7.379 -8.029 985 HG11 VAL 60 HG11 VAL 60 -6.277 4.375 -8.009 986 HG12 VAL 60 HG12 VAL 60 -5.409 5.473 -9.082 987 HG13 VAL 60 HG13 VAL 60 -7.164 5.337 -9.192 988 HG21 VAL 60 HG21 VAL 60 -7.908 7.127 -6.059 989 HG22 VAL 60 HG22 VAL 60 -7.811 5.370 -6.216 990 HG23 VAL 60 HG23 VAL 60 -8.607 6.323 -7.465 Start of MODEL 5 1 HA VAL 1 HA VAL 1 3.768 -12.329 20.295 2 HB VAL 1 HB VAL 1 3.927 -12.030 17.810 3 H1 VAL 1 H1 VAL 1 3.581 -9.386 20.496 4 H2 VAL 1 H2 VAL 1 3.758 -10.516 21.723 5 H3 VAL 1 H3 VAL 1 2.352 -10.502 20.823 6 HG11 VAL 1 HG11 VAL 1 1.535 -11.668 17.420 7 HG12 VAL 1 HG12 VAL 1 1.375 -11.006 19.045 8 HG13 VAL 1 HG13 VAL 1 1.816 -12.698 18.823 9 HG21 VAL 1 HG21 VAL 1 3.046 -9.199 18.401 10 HG22 VAL 1 HG22 VAL 1 3.134 -9.931 16.799 11 HG23 VAL 1 HG23 VAL 1 4.609 -9.680 17.737 12 H GLY 2 H GLY 2 5.458 -9.221 19.768 13 HA2 GLY 2 HA2 GLY 2 7.669 -8.756 19.885 14 HA3 GLY 2 HA3 GLY 2 7.940 -10.395 20.470 15 H SER 3 H SER 3 9.878 -10.116 19.072 16 HA SER 3 HA SER 3 9.234 -10.987 16.370 17 HG SER 3 HG SER 3 10.956 -10.524 14.783 18 HB2 SER 3 HB2 SER 3 10.167 -8.687 16.350 19 HB3 SER 3 HB3 SER 3 11.572 -9.258 17.239 20 H GLU 4 H GLU 4 9.425 -13.109 16.732 21 HA GLU 4 HA GLU 4 11.588 -14.254 18.225 22 HB2 GLU 4 HB2 GLU 4 9.578 -15.511 16.361 23 HB3 GLU 4 HB3 GLU 4 10.642 -16.377 17.454 24 HG2 GLU 4 HG2 GLU 4 9.535 -15.400 19.367 25 HG3 GLU 4 HG3 GLU 4 8.506 -14.433 18.305 26 H VAL 5 H VAL 5 10.640 -13.721 14.929 27 HA VAL 5 HA VAL 5 13.400 -14.074 14.104 28 HB VAL 5 HB VAL 5 12.666 -15.032 11.937 29 HG11 VAL 5 HG11 VAL 5 11.760 -16.668 14.298 30 HG12 VAL 5 HG12 VAL 5 13.400 -16.574 13.647 31 HG13 VAL 5 HG13 VAL 5 12.111 -17.295 12.686 32 HG21 VAL 5 HG21 VAL 5 10.395 -14.156 11.872 33 HG22 VAL 5 HG22 VAL 5 9.930 -15.218 13.206 34 HG23 VAL 5 HG23 VAL 5 10.399 -15.906 11.651 35 H SER 6 H SER 6 13.888 -12.815 12.276 36 HA SER 6 HA SER 6 12.074 -10.556 11.953 37 HG SER 6 HG SER 6 15.467 -11.686 12.057 38 HB2 SER 6 HB2 SER 6 14.115 -9.375 11.077 39 HB3 SER 6 HB3 SER 6 14.240 -9.875 12.763 40 H ASP 7 H ASP 7 13.610 -13.193 10.372 41 HA ASP 7 HA ASP 7 12.913 -12.280 7.734 42 HB2 ASP 7 HB2 ASP 7 14.949 -13.632 8.015 43 HB3 ASP 7 HB3 ASP 7 13.991 -14.955 8.664 44 H LYS 8 H LYS 8 10.769 -11.943 8.029 45 HA LYS 8 HA LYS 8 8.903 -13.799 7.102 46 HB2 LYS 8 HB2 LYS 8 9.219 -14.824 9.422 47 HB3 LYS 8 HB3 LYS 8 8.717 -13.287 10.105 48 HG2 LYS 8 HG2 LYS 8 6.548 -13.542 8.878 49 HG3 LYS 8 HG3 LYS 8 7.062 -15.159 8.417 50 HD2 LYS 8 HD2 LYS 8 6.729 -14.166 11.248 51 HD3 LYS 8 HD3 LYS 8 5.551 -15.139 10.377 52 HE2 LYS 8 HE2 LYS 8 7.235 -16.942 10.215 53 HE3 LYS 8 HE3 LYS 8 8.353 -15.944 11.144 54 HZ1 LYS 8 HZ1 LYS 8 5.721 -16.936 12.081 55 HZ2 LYS 8 HZ2 LYS 8 6.741 -15.956 12.990 56 HZ3 LYS 8 HZ3 LYS 8 7.217 -17.519 12.587 57 H ARG 9 H ARG 9 6.933 -12.733 6.858 58 HA ARG 9 HA ARG 9 7.102 -9.923 6.991 59 HE ARG 9 HE ARG 9 2.137 -11.094 6.275 60 HB2 ARG 9 HB2 ARG 9 4.719 -9.977 6.241 61 HB3 ARG 9 HB3 ARG 9 5.883 -10.771 5.195 62 HG2 ARG 9 HG2 ARG 9 5.216 -12.910 6.082 63 HG3 ARG 9 HG3 ARG 9 4.046 -12.088 7.130 64 HD2 ARG 9 HD2 ARG 9 4.116 -11.631 4.233 65 HD3 ARG 9 HD3 ARG 9 3.177 -13.000 4.868 66 HH11 ARG 9 HH11 ARG 9 3.223 -10.634 2.917 67 HH12 ARG 9 HH12 ARG 9 1.894 -9.688 2.459 68 HH21 ARG 9 HH21 ARG 9 0.280 -9.733 5.629 69 HH22 ARG 9 HH22 ARG 9 0.198 -9.174 4.013 70 H THR 10 H THR 10 6.841 -8.754 8.715 71 HA THR 10 HA THR 10 5.390 -9.840 10.948 72 HB THR 10 HB THR 10 6.363 -7.795 12.112 73 HG1 THR 10 HG1 THR 10 8.322 -7.095 10.856 74 HG21 THR 10 HG21 THR 10 8.617 -8.768 12.288 75 HG22 THR 10 HG22 THR 10 8.300 -9.752 10.860 76 HG23 THR 10 HG23 THR 10 7.379 -10.023 12.335 77 H CYS 11 H CYS 11 3.566 -8.857 11.797 78 HA CYS 11 HA CYS 11 2.538 -6.519 10.358 79 HB2 CYS 11 HB2 CYS 11 0.993 -9.080 10.851 80 HB3 CYS 11 HB3 CYS 11 0.305 -7.599 10.209 81 H VAL 12 H VAL 12 1.092 -5.340 11.616 82 HA VAL 12 HA VAL 12 0.280 -6.288 14.249 83 HB VAL 12 HB VAL 12 1.974 -3.747 13.954 84 HG11 VAL 12 HG11 VAL 12 0.448 -4.706 16.391 85 HG12 VAL 12 HG12 VAL 12 0.075 -3.257 15.454 86 HG13 VAL 12 HG13 VAL 12 1.583 -3.364 16.360 87 HG21 VAL 12 HG21 VAL 12 2.299 -6.158 15.714 88 HG22 VAL 12 HG22 VAL 12 3.417 -4.797 15.607 89 HG23 VAL 12 HG23 VAL 12 3.168 -5.870 14.221 90 H SER 13 H SER 13 -1.561 -5.286 15.067 91 HA SER 13 HA SER 13 -2.974 -3.640 13.129 92 HG SER 13 HG SER 13 -4.071 -5.223 16.218 93 HB2 SER 13 HB2 SER 13 -4.973 -4.554 14.324 94 HB3 SER 13 HB3 SER 13 -4.025 -5.758 13.448 95 H LEU 14 H LEU 14 -3.757 -1.682 13.770 96 HA LEU 14 HA LEU 14 -3.360 -0.902 16.561 97 HG LEU 14 HG LEU 14 -1.007 -0.634 14.762 98 HB2 LEU 14 HB2 LEU 14 -2.984 0.690 14.041 99 HB3 LEU 14 HB3 LEU 14 -3.035 1.423 15.626 100 HD11 LEU 14 HD11 LEU 14 -0.774 2.352 15.111 101 HD12 LEU 14 HD12 LEU 14 -0.758 1.498 13.573 102 HD13 LEU 14 HD13 LEU 14 0.551 1.252 14.723 103 HD21 LEU 14 HD21 LEU 14 0.108 0.042 16.863 104 HD22 LEU 14 HD22 LEU 14 -1.466 -0.691 17.149 105 HD23 LEU 14 HD23 LEU 14 -1.282 1.058 17.242 106 H THR 15 H THR 15 -5.093 -0.446 17.587 107 HA THR 15 HA THR 15 -7.524 0.158 16.142 108 HB THR 15 HB THR 15 -8.545 -0.080 18.456 109 HG1 THR 15 HG1 THR 15 -6.691 0.289 19.678 110 HG21 THR 15 HG21 THR 15 -6.977 -2.427 17.379 111 HG22 THR 15 HG22 THR 15 -8.578 -1.923 16.842 112 HG23 THR 15 HG23 THR 15 -8.353 -2.542 18.481 113 H THR 16 H THR 16 -7.888 2.193 15.776 114 HA THR 16 HA THR 16 -7.508 4.158 17.880 115 HB THR 16 HB THR 16 -5.520 4.315 16.361 116 HG1 THR 16 HG1 THR 16 -5.544 6.402 16.422 117 HG21 THR 16 HG21 THR 16 -6.534 3.467 14.295 118 HG22 THR 16 HG22 THR 16 -5.802 5.050 14.017 119 HG23 THR 16 HG23 THR 16 -7.550 4.902 14.191 120 H GLN 17 H GLN 17 -8.572 6.343 16.483 121 HA GLN 17 HA GLN 17 -11.289 5.432 16.329 122 HB2 GLN 17 HB2 GLN 17 -10.845 7.576 17.421 123 HB3 GLN 17 HB3 GLN 17 -10.230 8.229 15.911 124 HG2 GLN 17 HG2 GLN 17 -12.472 9.032 16.226 125 HG3 GLN 17 HG3 GLN 17 -12.459 7.888 14.893 126 HE21 GLN 17 HE21 GLN 17 -14.667 8.745 16.493 127 HE22 GLN 17 HE22 GLN 17 -15.336 7.338 17.230 128 H ARG 18 H ARG 18 -11.503 4.193 14.654 129 HA ARG 18 HA ARG 18 -11.399 5.472 12.040 130 HE ARG 18 HE ARG 18 -10.795 2.642 8.192 131 HB2 ARG 18 HB2 ARG 18 -9.588 4.012 12.127 132 HB3 ARG 18 HB3 ARG 18 -10.541 2.688 12.819 133 HG2 ARG 18 HG2 ARG 18 -9.970 2.273 10.497 134 HG3 ARG 18 HG3 ARG 18 -11.716 2.481 10.650 135 HD2 ARG 18 HD2 ARG 18 -11.430 4.850 9.921 136 HD3 ARG 18 HD3 ARG 18 -9.714 4.529 9.681 137 HH11 ARG 18 HH11 ARG 18 -11.621 6.095 8.390 138 HH12 ARG 18 HH12 ARG 18 -12.137 6.219 6.773 139 HH21 ARG 18 HH21 ARG 18 -11.459 2.859 5.899 140 HH22 ARG 18 HH22 ARG 18 -12.033 4.337 5.319 141 H LEU 19 H LEU 19 -13.084 5.059 10.706 142 HA LEU 19 HA LEU 19 -15.520 4.333 12.004 143 HG LEU 19 HG LEU 19 -16.059 7.352 9.800 144 HB2 LEU 19 HB2 LEU 19 -15.050 5.147 9.129 145 HB3 LEU 19 HB3 LEU 19 -16.584 5.099 9.957 146 HD11 LEU 19 HD11 LEU 19 -15.733 8.142 12.072 147 HD12 LEU 19 HD12 LEU 19 -15.263 6.518 12.553 148 HD13 LEU 19 HD13 LEU 19 -16.895 6.821 11.953 149 HD21 LEU 19 HD21 LEU 19 -13.906 8.379 10.426 150 HD22 LEU 19 HD22 LEU 19 -13.683 7.187 9.151 151 HD23 LEU 19 HD23 LEU 19 -13.247 6.800 10.804 152 HA PRO 20 HA PRO 20 -15.545 0.197 10.487 153 HB2 PRO 20 HB2 PRO 20 -18.465 0.379 10.133 154 HB3 PRO 20 HB3 PRO 20 -17.529 -0.686 11.183 155 HG2 PRO 20 HG2 PRO 20 -18.965 1.375 12.147 156 HG3 PRO 20 HG3 PRO 20 -17.441 0.847 12.885 157 HD2 PRO 20 HD2 PRO 20 -17.964 3.212 11.128 158 HD3 PRO 20 HD3 PRO 20 -16.874 2.995 12.524 159 H VAL 21 H VAL 21 -15.300 -0.678 8.638 160 HA VAL 21 HA VAL 21 -16.543 0.381 6.192 161 HB VAL 21 HB VAL 21 -13.613 -0.424 6.436 162 HG11 VAL 21 HG11 VAL 21 -14.507 -0.825 4.225 163 HG12 VAL 21 HG12 VAL 21 -13.370 0.524 4.193 164 HG13 VAL 21 HG13 VAL 21 -15.106 0.833 4.144 165 HG21 VAL 21 HG21 VAL 21 -13.080 1.948 6.119 166 HG22 VAL 21 HG22 VAL 21 -13.978 1.664 7.611 167 HG23 VAL 21 HG23 VAL 21 -14.797 2.336 6.201 168 H SER 22 H SER 22 -17.008 -1.222 4.641 169 HA SER 22 HA SER 22 -17.047 -3.891 5.749 170 HG SER 22 HG SER 22 -18.962 -2.914 6.013 171 HB2 SER 22 HB2 SER 22 -18.396 -2.736 3.311 172 HB3 SER 22 HB3 SER 22 -18.682 -4.345 3.980 173 H ARG 23 H ARG 23 -15.365 -2.121 3.349 174 HA ARG 23 HA ARG 23 -14.266 -4.590 2.190 175 HE ARG 23 HE ARG 23 -13.779 -4.084 -1.508 176 HB2 ARG 23 HB2 ARG 23 -14.256 -1.741 1.219 177 HB3 ARG 23 HB3 ARG 23 -13.330 -3.020 0.452 178 HG2 ARG 23 HG2 ARG 23 -16.330 -3.001 0.757 179 HG3 ARG 23 HG3 ARG 23 -15.452 -2.514 -0.698 180 HD2 ARG 23 HD2 ARG 23 -15.406 -5.247 0.587 181 HD3 ARG 23 HD3 ARG 23 -16.233 -4.801 -0.900 182 HH11 ARG 23 HH11 ARG 23 -14.910 -7.064 0.033 183 HH12 ARG 23 HH12 ARG 23 -13.667 -8.026 -0.631 184 HH21 ARG 23 HH21 ARG 23 -12.085 -5.440 -2.406 185 HH22 ARG 23 HH22 ARG 23 -12.051 -7.104 -2.023 186 H ILE 24 H ILE 24 -12.201 -5.139 2.561 187 HA ILE 24 HA ILE 24 -10.588 -3.415 4.264 188 HB ILE 24 HB ILE 24 -9.977 -6.181 3.158 189 HG12 ILE 24 HG12 ILE 24 -11.915 -6.269 4.642 190 HG13 ILE 24 HG13 ILE 24 -10.530 -7.024 5.414 191 HG21 ILE 24 HG21 ILE 24 -8.232 -6.279 4.897 192 HG22 ILE 24 HG22 ILE 24 -8.600 -4.613 5.340 193 HG23 ILE 24 HG23 ILE 24 -7.953 -4.976 3.741 194 HD11 ILE 24 HD11 ILE 24 -11.609 -4.269 5.980 195 HD12 ILE 24 HD12 ILE 24 -10.187 -4.986 6.732 196 HD13 ILE 24 HD13 ILE 24 -11.775 -5.700 7.002 197 H LYS 25 H LYS 25 -9.308 -1.961 3.337 198 HA LYS 25 HA LYS 25 -8.506 -2.417 0.578 199 HB2 LYS 25 HB2 LYS 25 -8.301 0.121 2.221 200 HB3 LYS 25 HB3 LYS 25 -7.526 -0.070 0.668 201 HG2 LYS 25 HG2 LYS 25 -9.578 1.129 0.412 202 HG3 LYS 25 HG3 LYS 25 -9.717 -0.444 -0.368 203 HD2 LYS 25 HD2 LYS 25 -10.867 -1.262 1.685 204 HD3 LYS 25 HD3 LYS 25 -10.846 0.397 2.289 205 HE2 LYS 25 HE2 LYS 25 -12.050 -0.533 -0.265 206 HE3 LYS 25 HE3 LYS 25 -12.960 -0.213 1.225 207 HZ1 LYS 25 HZ1 LYS 25 -13.141 1.649 -0.225 208 HZ2 LYS 25 HZ2 LYS 25 -11.485 1.782 -0.437 209 HZ3 LYS 25 HZ3 LYS 25 -12.194 2.123 1.064 210 H THR 26 H THR 26 -6.602 -2.790 -0.084 211 HA THR 26 HA THR 26 -4.437 -2.916 1.916 212 HB THR 26 HB THR 26 -3.496 -4.770 0.506 213 HG1 THR 26 HG1 THR 26 -5.085 -4.139 -1.297 214 HG21 THR 26 HG21 THR 26 -4.692 -5.232 2.592 215 HG22 THR 26 HG22 THR 26 -4.990 -6.490 1.395 216 HG23 THR 26 HG23 THR 26 -6.219 -5.265 1.713 217 H TYR 27 H TYR 27 -2.765 -1.767 1.542 218 HA TYR 27 HA TYR 27 -2.300 -0.809 -1.174 219 HD1 TYR 27 HD1 TYR 27 -4.571 0.791 1.473 220 HD2 TYR 27 HD2 TYR 27 -2.379 2.042 -1.923 221 HE1 TYR 27 HE1 TYR 27 -6.596 1.865 0.589 222 HE2 TYR 27 HE2 TYR 27 -4.369 3.117 -2.847 223 HH TYR 27 HH TYR 27 -7.230 3.600 -0.990 224 HB2 TYR 27 HB2 TYR 27 -2.135 0.706 1.400 225 HB3 TYR 27 HB3 TYR 27 -1.258 1.220 -0.043 226 H THR 28 H THR 28 -0.417 -0.993 -1.971 227 HA THR 28 HA THR 28 1.587 -2.282 -0.271 228 HB THR 28 HB THR 28 2.372 -3.390 -2.370 229 HG1 THR 28 HG1 THR 28 0.956 -1.582 -3.529 230 HG21 THR 28 HG21 THR 28 0.482 -4.968 -2.569 231 HG22 THR 28 HG22 THR 28 -0.547 -3.833 -1.699 232 HG23 THR 28 HG23 THR 28 0.820 -4.588 -0.884 233 H ILE 29 H ILE 29 3.528 -1.340 -0.148 234 HA ILE 29 HA ILE 29 4.261 0.571 -2.227 235 HB ILE 29 HB ILE 29 4.646 0.857 0.756 236 HG12 ILE 29 HG12 ILE 29 3.216 2.499 -1.338 237 HG13 ILE 29 HG13 ILE 29 2.492 1.558 -0.048 238 HG21 ILE 29 HG21 ILE 29 5.907 2.613 -1.365 239 HG22 ILE 29 HG22 ILE 29 6.760 1.499 -0.299 240 HG23 ILE 29 HG23 ILE 29 5.949 2.894 0.379 241 HD11 ILE 29 HD11 ILE 29 2.369 3.852 0.510 242 HD12 ILE 29 HD12 ILE 29 4.078 4.062 0.146 243 HD13 ILE 29 HD13 ILE 29 3.607 3.126 1.561 244 H THR 30 H THR 30 6.177 0.301 -3.156 245 HA THR 30 HA THR 30 7.930 -1.713 -1.985 246 HB THR 30 HB THR 30 7.003 -2.417 -4.159 247 HG1 THR 30 HG1 THR 30 8.935 -2.941 -5.142 248 HG21 THR 30 HG21 THR 30 8.369 0.031 -5.216 249 HG22 THR 30 HG22 THR 30 6.631 -0.228 -5.171 250 HG23 THR 30 HG23 THR 30 7.644 -1.220 -6.241 251 H GLU 31 H GLU 31 9.626 -0.963 -1.130 252 HA GLU 31 HA GLU 31 11.158 1.193 -2.349 253 HB2 GLU 31 HB2 GLU 31 9.773 2.345 -0.698 254 HB3 GLU 31 HB3 GLU 31 10.247 1.189 0.537 255 HG2 GLU 31 HG2 GLU 31 11.407 3.345 0.767 256 HG3 GLU 31 HG3 GLU 31 12.526 2.010 0.483 257 H GLY 32 H GLY 32 13.193 0.480 -2.519 258 HA2 GLY 32 HA2 GLY 32 15.124 -0.682 -2.120 259 HA3 GLY 32 HA3 GLY 32 14.781 -0.363 -0.431 260 H SER 33 H SER 33 12.730 -2.273 -2.423 261 HA SER 33 HA SER 33 12.404 -4.439 -2.742 262 HG SER 33 HG SER 33 13.832 -6.668 -2.976 263 HB2 SER 33 HB2 SER 33 14.859 -4.832 -2.688 264 HB3 SER 33 HB3 SER 33 14.789 -5.004 -0.941 265 H LEU 34 H LEU 34 12.009 -2.868 0.272 266 HA LEU 34 HA LEU 34 10.653 -5.266 1.252 267 HG LEU 34 HG LEU 34 9.705 -1.835 2.591 268 HB2 LEU 34 HB2 LEU 34 10.162 -4.222 3.393 269 HB3 LEU 34 HB3 LEU 34 11.845 -3.904 3.000 270 HD11 LEU 34 HD11 LEU 34 10.258 -1.042 4.864 271 HD12 LEU 34 HD12 LEU 34 11.315 -2.433 5.090 272 HD13 LEU 34 HD13 LEU 34 9.577 -2.667 4.915 273 HD21 LEU 34 HD21 LEU 34 11.939 -1.488 1.629 274 HD22 LEU 34 HD22 LEU 34 12.644 -1.699 3.226 275 HD23 LEU 34 HD23 LEU 34 11.576 -0.336 2.909 276 H ARG 35 H ARG 35 8.489 -5.512 1.482 277 HA ARG 35 HA ARG 35 6.975 -3.614 -0.165 278 HE ARG 35 HE ARG 35 4.577 -4.165 -3.633 279 HB2 ARG 35 HB2 ARG 35 7.270 -6.256 -0.532 280 HB3 ARG 35 HB3 ARG 35 5.943 -6.287 0.614 281 HG2 ARG 35 HG2 ARG 35 5.028 -6.390 -1.584 282 HG3 ARG 35 HG3 ARG 35 4.680 -4.779 -0.937 283 HD2 ARG 35 HD2 ARG 35 6.470 -3.808 -2.172 284 HD3 ARG 35 HD3 ARG 35 7.083 -5.382 -2.651 285 HH11 ARG 35 HH11 ARG 35 7.281 -6.419 -4.057 286 HH12 ARG 35 HH12 ARG 35 6.966 -6.686 -5.700 287 HH21 ARG 35 HH21 ARG 35 4.185 -4.529 -5.897 288 HH22 ARG 35 HH22 ARG 35 5.203 -5.577 -6.789 289 H ALA 36 H ALA 36 5.741 -2.330 1.048 290 HA ALA 36 HA ALA 36 4.957 -3.274 3.711 291 HB1 ALA 36 HB1 ALA 36 4.556 -0.911 4.235 292 HB2 ALA 36 HB2 ALA 36 4.992 -0.479 2.582 293 HB3 ALA 36 HB3 ALA 36 6.205 -1.167 3.659 294 H VAL 37 H VAL 37 2.899 -3.689 4.149 295 HA VAL 37 HA VAL 37 0.903 -2.913 2.143 296 HB VAL 37 HB VAL 37 0.890 -5.452 3.807 297 HG11 VAL 37 HG11 VAL 37 -1.063 -6.083 2.448 298 HG12 VAL 37 HG12 VAL 37 -1.013 -4.503 1.660 299 HG13 VAL 37 HG13 VAL 37 -1.362 -4.619 3.384 300 HG21 VAL 37 HG21 VAL 37 1.163 -6.599 1.646 301 HG22 VAL 37 HG22 VAL 37 2.553 -5.560 2.028 302 HG23 VAL 37 HG23 VAL 37 1.325 -5.018 0.883 303 H ILE 38 H ILE 38 -0.588 -1.624 2.860 304 HA ILE 38 HA ILE 38 -1.050 -1.310 5.699 305 HB ILE 38 HB ILE 38 -1.465 0.380 3.248 306 HG12 ILE 38 HG12 ILE 38 0.132 0.881 5.741 307 HG13 ILE 38 HG13 ILE 38 0.779 0.251 4.228 308 HG21 ILE 38 HG21 ILE 38 -3.413 0.710 4.662 309 HG22 ILE 38 HG22 ILE 38 -2.358 2.123 4.606 310 HG23 ILE 38 HG23 ILE 38 -2.354 1.084 6.039 311 HD11 ILE 38 HD11 ILE 38 -0.634 2.897 4.412 312 HD12 ILE 38 HD12 ILE 38 0.349 2.161 3.114 313 HD13 ILE 38 HD13 ILE 38 1.127 2.675 4.595 314 H PHE 39 H PHE 39 -2.860 -2.171 6.461 315 HA PHE 39 HA PHE 39 -5.046 -2.831 4.621 316 HD1 PHE 39 HD1 PHE 39 -2.230 -4.650 6.711 317 HD2 PHE 39 HD2 PHE 39 -5.838 -5.937 4.871 318 HE1 PHE 39 HE1 PHE 39 -1.066 -6.606 5.791 319 HE2 PHE 39 HE2 PHE 39 -4.679 -7.901 3.956 320 HZ PHE 39 HZ PHE 39 -2.288 -8.234 4.414 321 HB2 PHE 39 HB2 PHE 39 -4.428 -3.813 7.409 322 HB3 PHE 39 HB3 PHE 39 -5.879 -4.232 6.514 323 H ILE 40 H ILE 40 -6.476 -1.375 4.546 324 HA ILE 40 HA ILE 40 -7.061 0.290 6.867 325 HB ILE 40 HB ILE 40 -8.318 0.276 4.121 326 HG12 ILE 40 HG12 ILE 40 -5.954 0.884 3.822 327 HG13 ILE 40 HG13 ILE 40 -6.963 2.301 3.651 328 HG21 ILE 40 HG21 ILE 40 -9.780 1.256 5.709 329 HG22 ILE 40 HG22 ILE 40 -9.112 2.547 4.709 330 HG23 ILE 40 HG23 ILE 40 -8.501 2.274 6.351 331 HD11 ILE 40 HD11 ILE 40 -6.309 3.066 5.880 332 HD12 ILE 40 HD12 ILE 40 -4.911 2.724 4.842 333 HD13 ILE 40 HD13 ILE 40 -5.356 1.580 6.081 334 H THR 41 H THR 41 -8.484 -0.534 8.263 335 HA THR 41 HA THR 41 -10.536 -2.302 7.191 336 HB THR 41 HB THR 41 -8.810 -3.733 8.109 337 HG1 THR 41 HG1 THR 41 -10.199 -4.943 8.957 338 HG21 THR 41 HG21 THR 41 -7.728 -2.173 9.645 339 HG22 THR 41 HG22 THR 41 -8.158 -3.669 10.477 340 HG23 THR 41 HG23 THR 41 -9.137 -2.220 10.703 341 H LYS 42 H LYS 42 -12.165 -2.783 8.984 342 HA LYS 42 HA LYS 42 -13.416 -0.325 9.710 343 HB2 LYS 42 HB2 LYS 42 -15.244 -1.657 10.603 344 HB3 LYS 42 HB3 LYS 42 -14.689 -2.443 9.139 345 HG2 LYS 42 HG2 LYS 42 -13.916 -3.283 11.920 346 HG3 LYS 42 HG3 LYS 42 -15.288 -3.944 11.049 347 HD2 LYS 42 HD2 LYS 42 -13.809 -4.887 9.382 348 HD3 LYS 42 HD3 LYS 42 -12.420 -4.071 10.113 349 HE2 LYS 42 HE2 LYS 42 -12.624 -5.281 12.079 350 HE3 LYS 42 HE3 LYS 42 -14.124 -6.086 11.573 351 HZ1 LYS 42 HZ1 LYS 42 -11.385 -6.429 10.440 352 HZ2 LYS 42 HZ2 LYS 42 -12.769 -7.166 9.789 353 HZ3 LYS 42 HZ3 LYS 42 -12.223 -7.542 11.337 354 H ARG 43 H ARG 43 -11.274 -2.502 11.256 355 HA ARG 43 HA ARG 43 -11.907 -1.516 13.915 356 HE ARG 43 HE ARG 43 -12.186 -5.067 14.953 357 HB2 ARG 43 HB2 ARG 43 -11.608 -3.946 13.544 358 HB3 ARG 43 HB3 ARG 43 -9.959 -3.652 13.036 359 HG2 ARG 43 HG2 ARG 43 -9.306 -2.997 15.216 360 HG3 ARG 43 HG3 ARG 43 -10.986 -2.944 15.759 361 HD2 ARG 43 HD2 ARG 43 -9.503 -5.413 14.877 362 HD3 ARG 43 HD3 ARG 43 -9.827 -4.953 16.551 363 HH11 ARG 43 HH11 ARG 43 -9.969 -7.038 16.841 364 HH12 ARG 43 HH12 ARG 43 -11.101 -8.266 17.172 365 HH21 ARG 43 HH21 ARG 43 -13.749 -6.724 15.370 366 HH22 ARG 43 HH22 ARG 43 -13.331 -8.066 16.313 367 H GLY 44 H GLY 44 -10.021 -0.612 11.427 368 HA2 GLY 44 HA2 GLY 44 -8.948 1.612 12.206 369 HA3 GLY 44 HA3 GLY 44 -8.008 0.550 13.227 370 H LEU 45 H LEU 45 -6.117 0.357 12.546 371 HA LEU 45 HA LEU 45 -5.532 0.182 9.679 372 HG LEU 45 HG LEU 45 -2.754 2.851 9.988 373 HB2 LEU 45 HB2 LEU 45 -4.988 2.421 10.407 374 HB3 LEU 45 HB3 LEU 45 -4.177 1.828 11.823 375 HD11 LEU 45 HD11 LEU 45 -1.999 0.075 10.924 376 HD12 LEU 45 HD12 LEU 45 -1.610 1.620 11.710 377 HD13 LEU 45 HD13 LEU 45 -0.896 1.230 10.184 378 HD21 LEU 45 HD21 LEU 45 -3.827 1.852 8.064 379 HD22 LEU 45 HD22 LEU 45 -3.337 0.241 8.601 380 HD23 LEU 45 HD23 LEU 45 -2.117 1.419 8.115 381 H LYS 46 H LYS 46 -4.473 -1.596 9.168 382 HA LYS 46 HA LYS 46 -2.718 -2.721 11.191 383 HB2 LYS 46 HB2 LYS 46 -4.515 -4.296 11.072 384 HB3 LYS 46 HB3 LYS 46 -4.515 -4.285 9.319 385 HG2 LYS 46 HG2 LYS 46 -2.460 -5.509 9.230 386 HG3 LYS 46 HG3 LYS 46 -2.182 -5.285 10.957 387 HD2 LYS 46 HD2 LYS 46 -3.977 -6.609 11.503 388 HD3 LYS 46 HD3 LYS 46 -4.528 -6.784 9.812 389 HE2 LYS 46 HE2 LYS 46 -1.954 -7.821 11.038 390 HE3 LYS 46 HE3 LYS 46 -3.374 -8.805 10.710 391 HZ1 LYS 46 HZ1 LYS 46 -1.719 -9.085 9.004 392 HZ2 LYS 46 HZ2 LYS 46 -1.685 -7.455 8.627 393 HZ3 LYS 46 HZ3 LYS 46 -3.075 -8.373 8.347 394 H VAL 47 H VAL 47 -0.834 -3.489 10.553 395 HA VAL 47 HA VAL 47 -0.074 -2.633 7.857 396 HB VAL 47 HB VAL 47 0.646 -1.037 9.589 397 HG11 VAL 47 HG11 VAL 47 2.525 -1.678 11.123 398 HG12 VAL 47 HG12 VAL 47 2.275 -3.347 10.630 399 HG13 VAL 47 HG13 VAL 47 0.994 -2.491 11.478 400 HG21 VAL 47 HG21 VAL 47 1.889 -1.199 7.513 401 HG22 VAL 47 HG22 VAL 47 2.876 -2.502 8.178 402 HG23 VAL 47 HG23 VAL 47 2.988 -0.877 8.854 403 H CYS 48 H CYS 48 1.233 -3.933 6.769 404 HA CYS 48 HA CYS 48 2.519 -6.110 8.200 405 HB2 CYS 48 HB2 CYS 48 0.982 -6.266 5.640 406 HB3 CYS 48 HB3 CYS 48 2.242 -7.428 6.040 407 H ALA 49 H ALA 49 4.520 -6.426 7.743 408 HA ALA 49 HA ALA 49 5.642 -4.913 5.475 409 HB1 ALA 49 HB1 ALA 49 6.955 -5.870 8.018 410 HB2 ALA 49 HB2 ALA 49 6.506 -4.205 7.666 411 HB3 ALA 49 HB3 ALA 49 7.761 -5.003 6.712 412 H ASP 50 H ASP 50 6.258 -6.211 3.895 413 HA ASP 50 HA ASP 50 6.837 -9.014 4.568 414 HB2 ASP 50 HB2 ASP 50 4.767 -8.448 3.099 415 HB3 ASP 50 HB3 ASP 50 5.932 -7.979 1.869 416 HA PRO 51 HA PRO 51 10.702 -7.049 3.329 417 HB2 PRO 51 HB2 PRO 51 12.349 -8.926 4.274 418 HB3 PRO 51 HB3 PRO 51 11.512 -7.812 5.357 419 HG2 PRO 51 HG2 PRO 51 10.804 -10.639 4.656 420 HG3 PRO 51 HG3 PRO 51 10.845 -9.864 6.251 421 HD2 PRO 51 HD2 PRO 51 8.556 -10.205 4.865 422 HD3 PRO 51 HD3 PRO 51 8.826 -8.811 5.936 423 H GLN 52 H GLN 52 11.539 -7.112 1.381 424 HA GLN 52 HA GLN 52 12.190 -7.788 -0.661 425 HB2 GLN 52 HB2 GLN 52 13.141 -10.162 0.950 426 HB3 GLN 52 HB3 GLN 52 13.764 -9.658 -0.619 427 HG2 GLN 52 HG2 GLN 52 14.472 -7.496 0.404 428 HG3 GLN 52 HG3 GLN 52 13.968 -8.075 1.966 429 HE21 GLN 52 HE21 GLN 52 15.134 -9.726 2.961 430 HE22 GLN 52 HE22 GLN 52 16.737 -10.125 2.453 431 H ALA 53 H ALA 53 9.575 -8.270 -0.110 432 HA ALA 53 HA ALA 53 8.319 -10.602 -0.058 433 HB1 ALA 53 HB1 ALA 53 7.221 -8.439 -0.013 434 HB2 ALA 53 HB2 ALA 53 6.402 -9.590 -1.071 435 HB3 ALA 53 HB3 ALA 53 7.407 -8.317 -1.763 436 H THR 54 H THR 54 9.097 -12.311 -1.075 437 HA THR 54 HA THR 54 9.167 -13.942 -2.623 438 HB THR 54 HB THR 54 7.596 -12.067 -4.431 439 HG1 THR 54 HG1 THR 54 6.901 -13.002 -2.104 440 HG21 THR 54 HG21 THR 54 7.805 -15.088 -4.356 441 HG22 THR 54 HG22 THR 54 8.542 -14.039 -5.567 442 HG23 THR 54 HG23 THR 54 6.786 -14.156 -5.453 443 H TRP 55 H TRP 55 9.338 -11.018 -4.676 444 HA TRP 55 HA TRP 55 12.113 -11.297 -5.148 445 HD1 TRP 55 HD1 TRP 55 13.387 -12.896 -6.989 446 HE1 TRP 55 HE1 TRP 55 15.111 -11.911 -8.768 447 HE3 TRP 55 HE3 TRP 55 10.463 -9.301 -8.875 448 HZ2 TRP 55 HZ2 TRP 55 15.074 -9.820 -10.672 449 HZ3 TRP 55 HZ3 TRP 55 11.307 -7.818 -10.648 450 HH2 TRP 55 HH2 TRP 55 13.567 -8.072 -11.528 451 HB2 TRP 55 HB2 TRP 55 10.945 -12.820 -6.798 452 HB3 TRP 55 HB3 TRP 55 10.127 -11.378 -7.405 453 H VAL 56 H VAL 56 12.509 -9.157 -4.670 454 HA VAL 56 HA VAL 56 10.946 -7.224 -6.189 455 HB VAL 56 HB VAL 56 11.720 -6.736 -3.293 456 HG11 VAL 56 HG11 VAL 56 10.073 -5.091 -5.205 457 HG12 VAL 56 HG12 VAL 56 11.714 -4.730 -4.683 458 HG13 VAL 56 HG13 VAL 56 10.385 -4.692 -3.518 459 HG21 VAL 56 HG21 VAL 56 8.973 -7.226 -4.443 460 HG22 VAL 56 HG22 VAL 56 9.319 -6.774 -2.773 461 HG23 VAL 56 HG23 VAL 56 9.864 -8.332 -3.398 462 H ARG 57 H ARG 57 12.531 -6.793 -7.586 463 HA ARG 57 HA ARG 57 15.160 -6.184 -6.581 464 HE ARG 57 HE ARG 57 17.954 -4.403 -10.367 465 HB2 ARG 57 HB2 ARG 57 15.004 -7.326 -8.751 466 HB3 ARG 57 HB3 ARG 57 14.052 -5.990 -9.395 467 HG2 ARG 57 HG2 ARG 57 15.943 -4.482 -9.123 468 HG3 ARG 57 HG3 ARG 57 16.892 -5.789 -8.427 469 HD2 ARG 57 HD2 ARG 57 16.792 -7.006 -10.526 470 HD3 ARG 57 HD3 ARG 57 15.785 -5.737 -11.233 471 HH11 ARG 57 HH11 ARG 57 17.639 -7.238 -12.495 472 HH12 ARG 57 HH12 ARG 57 19.001 -6.843 -13.432 473 HH21 ARG 57 HH21 ARG 57 19.846 -3.901 -11.665 474 HH22 ARG 57 HH22 ARG 57 20.266 -4.933 -12.947 475 H ASP 58 H ASP 58 15.762 -4.244 -5.975 476 HA ASP 58 HA ASP 58 13.911 -2.105 -6.157 477 HB2 ASP 58 HB2 ASP 58 15.272 -2.297 -4.163 478 HB3 ASP 58 HB3 ASP 58 16.744 -2.145 -5.119 479 H VAL 59 H VAL 59 13.584 -1.311 -8.049 480 HA VAL 59 HA VAL 59 15.778 -0.847 -9.930 481 HB VAL 59 HB VAL 59 12.789 -0.489 -10.329 482 HG11 VAL 59 HG11 VAL 59 13.291 -0.522 -12.733 483 HG12 VAL 59 HG12 VAL 59 15.010 -0.602 -12.368 484 HG13 VAL 59 HG13 VAL 59 14.081 0.825 -11.916 485 HG21 VAL 59 HG21 VAL 59 13.309 -2.819 -9.853 486 HG22 VAL 59 HG22 VAL 59 14.550 -2.816 -11.105 487 HG23 VAL 59 HG23 VAL 59 12.855 -2.623 -11.544 488 H VAL 60 H VAL 60 13.615 0.801 -7.842 489 HA VAL 60 HA VAL 60 14.267 3.400 -9.014 490 HB VAL 60 HB VAL 60 12.289 2.741 -6.819 491 HG11 VAL 60 HG11 VAL 60 12.727 5.298 -8.353 492 HG12 VAL 60 HG12 VAL 60 13.120 5.019 -6.655 493 HG13 VAL 60 HG13 VAL 60 11.434 4.999 -7.187 494 HG21 VAL 60 HG21 VAL 60 10.567 3.113 -8.521 495 HG22 VAL 60 HG22 VAL 60 11.632 1.780 -8.963 496 HG23 VAL 60 HG23 VAL 60 11.822 3.350 -9.739 497 HA VAL 1 HA VAL 1 0.699 -3.274 25.297 498 HB VAL 1 HB VAL 1 2.885 -2.149 25.636 499 H1 VAL 1 H1 VAL 1 1.599 -5.246 24.031 500 HG11 VAL 1 HG11 VAL 1 2.405 -4.225 26.828 501 HG12 VAL 1 HG12 VAL 1 4.117 -4.105 26.436 502 HG13 VAL 1 HG13 VAL 1 3.071 -5.155 25.484 503 HG21 VAL 1 HG21 VAL 1 3.833 -3.928 23.382 504 HG22 VAL 1 HG22 VAL 1 4.868 -2.930 24.400 505 HG23 VAL 1 HG23 VAL 1 3.693 -2.171 23.326 506 H GLY 2 H GLY 2 0.686 -3.094 22.128 507 HA2 GLY 2 HA2 GLY 2 1.159 -0.295 21.646 508 HA3 GLY 2 HA3 GLY 2 0.433 -1.423 20.514 509 H SER 3 H SER 3 -1.585 -2.123 22.627 510 HA SER 3 HA SER 3 -3.521 -0.142 21.854 511 HG SER 3 HG SER 3 -3.584 -3.613 21.927 512 HB2 SER 3 HB2 SER 3 -3.787 -2.536 23.673 513 HB3 SER 3 HB3 SER 3 -5.110 -1.631 22.924 514 H GLU 4 H GLU 4 -3.592 1.734 22.956 515 HA GLU 4 HA GLU 4 -3.374 1.620 25.882 516 HB2 GLU 4 HB2 GLU 4 -2.359 3.822 24.083 517 HB3 GLU 4 HB3 GLU 4 -2.334 3.842 25.831 518 HG2 GLU 4 HG2 GLU 4 -0.775 1.981 25.853 519 HG3 GLU 4 HG3 GLU 4 -0.828 1.904 24.092 520 H VAL 5 H VAL 5 -4.216 4.038 23.413 521 HA VAL 5 HA VAL 5 -6.518 4.782 25.073 522 HB VAL 5 HB VAL 5 -6.426 6.990 23.995 523 HG11 VAL 5 HG11 VAL 5 -3.769 6.123 25.126 524 HG12 VAL 5 HG12 VAL 5 -5.176 6.638 26.057 525 HG13 VAL 5 HG13 VAL 5 -4.352 7.785 25.006 526 HG21 VAL 5 HG21 VAL 5 -4.550 7.603 22.561 527 HG22 VAL 5 HG22 VAL 5 -5.510 6.318 21.834 528 HG23 VAL 5 HG23 VAL 5 -3.963 5.938 22.596 529 H SER 6 H SER 6 -8.165 6.096 23.519 530 HA SER 6 HA SER 6 -9.138 4.122 21.679 531 HG SER 6 HG SER 6 -10.889 7.110 23.682 532 HB2 SER 6 HB2 SER 6 -11.108 5.702 21.684 533 HB3 SER 6 HB3 SER 6 -10.687 4.991 23.245 534 H ASP 7 H ASP 7 -8.008 7.473 21.642 535 HA ASP 7 HA ASP 7 -7.866 7.391 18.706 536 HB2 ASP 7 HB2 ASP 7 -9.841 8.644 19.243 537 HB3 ASP 7 HB3 ASP 7 -8.974 9.618 20.420 538 H LYS 8 H LYS 8 -5.899 7.800 18.039 539 HA LYS 8 HA LYS 8 -4.275 9.992 18.655 540 HB2 LYS 8 HB2 LYS 8 -3.903 8.751 20.839 541 HB3 LYS 8 HB3 LYS 8 -3.278 7.397 19.909 542 HG2 LYS 8 HG2 LYS 8 -1.543 8.979 18.975 543 HG3 LYS 8 HG3 LYS 8 -2.105 10.163 20.147 544 HD2 LYS 8 HD2 LYS 8 -0.957 7.442 20.782 545 HD3 LYS 8 HD3 LYS 8 -0.103 8.973 20.921 546 HE2 LYS 8 HE2 LYS 8 -1.723 9.694 22.627 547 HE3 LYS 8 HE3 LYS 8 -2.537 8.134 22.489 548 HZ1 LYS 8 HZ1 LYS 8 0.241 8.602 23.378 549 HZ2 LYS 8 HZ2 LYS 8 -0.429 7.072 23.163 550 HZ3 LYS 8 HZ3 LYS 8 -1.017 8.117 24.355 551 H ARG 9 H ARG 9 -2.507 9.989 17.314 552 HA ARG 9 HA ARG 9 -2.582 8.128 15.207 553 HE ARG 9 HE ARG 9 1.986 10.551 14.751 554 HB2 ARG 9 HB2 ARG 9 -0.496 9.254 14.429 555 HB3 ARG 9 HB3 ARG 9 -1.895 10.291 14.622 556 HG2 ARG 9 HG2 ARG 9 -1.016 11.042 16.760 557 HG3 ARG 9 HG3 ARG 9 0.405 10.018 16.503 558 HD2 ARG 9 HD2 ARG 9 -0.535 11.998 14.550 559 HD3 ARG 9 HD3 ARG 9 0.660 12.456 15.791 560 HH11 ARG 9 HH11 ARG 9 -0.315 12.447 12.814 561 HH12 ARG 9 HH12 ARG 9 0.594 12.346 11.380 562 HH21 ARG 9 HH21 ARG 9 3.245 10.426 12.755 563 HH22 ARG 9 HH22 ARG 9 2.669 11.176 11.345 564 H THR 10 H THR 10 -2.178 6.083 15.770 565 HA THR 10 HA THR 10 -0.088 5.494 17.623 566 HB THR 10 HB THR 10 -0.945 3.147 17.238 567 HG1 THR 10 HG1 THR 10 -1.902 3.858 15.143 568 HG21 THR 10 HG21 THR 10 -3.011 3.532 18.523 569 HG22 THR 10 HG22 THR 10 -2.933 5.246 18.121 570 HG23 THR 10 HG23 THR 10 -1.684 4.521 19.137 571 H CYS 11 H CYS 11 1.737 4.327 17.139 572 HA CYS 11 HA CYS 11 2.281 3.807 14.308 573 HB2 CYS 11 HB2 CYS 11 4.184 5.123 16.268 574 HB3 CYS 11 HB3 CYS 11 4.538 4.701 14.606 575 H VAL 12 H VAL 12 3.714 2.141 14.012 576 HA VAL 12 HA VAL 12 4.822 0.753 16.361 577 HB VAL 12 HB VAL 12 3.188 -0.695 14.226 578 HG11 VAL 12 HG11 VAL 12 4.720 -1.859 16.562 579 HG12 VAL 12 HG12 VAL 12 5.157 -2.024 14.859 580 HG13 VAL 12 HG13 VAL 12 3.669 -2.751 15.466 581 HG21 VAL 12 HG21 VAL 12 1.734 -1.342 16.038 582 HG22 VAL 12 HG22 VAL 12 1.880 0.408 15.962 583 HG23 VAL 12 HG23 VAL 12 2.759 -0.495 17.200 584 H SER 13 H SER 13 6.755 -0.163 16.086 585 HA SER 13 HA SER 13 7.992 0.051 13.449 586 HG SER 13 HG SER 13 8.811 -0.946 16.637 587 HB2 SER 13 HB2 SER 13 10.121 0.002 14.784 588 HB3 SER 13 HB3 SER 13 9.090 1.394 15.132 589 H LEU 14 H LEU 14 8.441 -1.820 12.447 590 HA LEU 14 HA LEU 14 8.337 -4.318 13.981 591 HG LEU 14 HG LEU 14 5.864 -3.111 12.584 592 HB2 LEU 14 HB2 LEU 14 7.708 -3.762 11.101 593 HB3 LEU 14 HB3 LEU 14 7.727 -5.353 11.827 594 HD11 LEU 14 HD11 LEU 14 4.158 -4.511 11.536 595 HD12 LEU 14 HD12 LEU 14 5.406 -5.674 11.079 596 HD13 LEU 14 HD13 LEU 14 5.413 -4.061 10.377 597 HD21 LEU 14 HD21 LEU 14 4.764 -4.803 13.914 598 HD22 LEU 14 HD22 LEU 14 6.416 -4.555 14.454 599 HD23 LEU 14 HD23 LEU 14 6.018 -5.976 13.487 600 H THR 15 H THR 15 10.145 -5.374 14.170 601 HA THR 15 HA THR 15 12.386 -4.791 12.475 602 HB THR 15 HB THR 15 13.473 -6.583 13.912 603 HG1 THR 15 HG1 THR 15 11.662 -7.719 14.559 604 HG21 THR 15 HG21 THR 15 12.177 -4.254 15.354 605 HG22 THR 15 HG22 THR 15 13.700 -4.206 14.463 606 HG23 THR 15 HG23 THR 15 13.573 -5.172 15.930 607 H THR 16 H THR 16 12.456 -5.706 10.553 608 HA THR 16 HA THR 16 11.895 -8.539 10.321 609 HB THR 16 HB THR 16 9.847 -7.346 9.559 610 HG1 THR 16 HG1 THR 16 9.993 -9.127 8.371 611 HG21 THR 16 HG21 THR 16 9.913 -5.922 7.541 612 HG22 THR 16 HG22 THR 16 11.672 -6.051 7.520 613 HG23 THR 16 HG23 THR 16 10.869 -5.228 8.852 614 H GLN 17 H GLN 17 12.637 -9.085 7.860 615 HA GLN 17 HA GLN 17 15.460 -8.568 7.894 616 HB2 GLN 17 HB2 GLN 17 14.510 -10.754 7.159 617 HB3 GLN 17 HB3 GLN 17 13.843 -9.964 5.742 618 HG2 GLN 17 HG2 GLN 17 15.834 -11.124 5.100 619 HG3 GLN 17 HG3 GLN 17 16.158 -9.399 5.032 620 HE21 GLN 17 HE21 GLN 17 17.978 -11.645 5.258 621 HE22 GLN 17 HE22 GLN 17 18.907 -11.404 6.676 622 H ARG 18 H ARG 18 15.763 -6.473 7.638 623 HA ARG 18 HA ARG 18 15.162 -5.257 5.041 624 HE ARG 18 HE ARG 18 16.299 -1.919 4.546 625 HB2 ARG 18 HB2 ARG 18 13.637 -4.491 6.459 626 HB3 ARG 18 HB3 ARG 18 14.696 -4.337 7.851 627 HG2 ARG 18 HG2 ARG 18 13.980 -2.153 7.120 628 HG3 ARG 18 HG3 ARG 18 15.678 -2.305 6.691 629 HD2 ARG 18 HD2 ARG 18 13.609 -3.034 4.683 630 HD3 ARG 18 HD3 ARG 18 13.859 -1.330 5.039 631 HH11 ARG 18 HH11 ARG 18 13.637 -3.568 2.920 632 HH12 ARG 18 HH12 ARG 18 14.407 -3.480 1.374 633 HH21 ARG 18 HH21 ARG 18 17.287 -1.831 2.366 634 HH22 ARG 18 HH22 ARG 18 16.470 -2.543 1.078 635 H LEU 19 H LEU 19 16.778 -4.437 4.077 636 HA LEU 19 HA LEU 19 19.416 -4.732 5.096 637 HG LEU 19 HG LEU 19 19.254 -5.262 1.291 638 HB2 LEU 19 HB2 LEU 19 18.436 -3.324 2.584 639 HB3 LEU 19 HB3 LEU 19 20.087 -3.773 2.925 640 HD11 LEU 19 HD11 LEU 19 20.687 -6.306 2.864 641 HD12 LEU 19 HD12 LEU 19 19.462 -7.452 2.318 642 HD13 LEU 19 HD13 LEU 19 19.316 -6.698 3.905 643 HD21 LEU 19 HD21 LEU 19 16.840 -4.999 1.601 644 HD22 LEU 19 HD22 LEU 19 16.912 -5.931 3.093 645 HD23 LEU 19 HD23 LEU 19 17.273 -6.704 1.553 646 HA PRO 20 HA PRO 20 19.844 -0.877 7.193 647 HB2 PRO 20 HB2 PRO 20 22.382 -0.519 5.676 648 HB3 PRO 20 HB3 PRO 20 22.087 -0.401 7.416 649 HG2 PRO 20 HG2 PRO 20 23.257 -2.545 6.423 650 HG3 PRO 20 HG3 PRO 20 22.034 -2.702 7.694 651 HD2 PRO 20 HD2 PRO 20 21.779 -3.259 4.764 652 HD3 PRO 20 HD3 PRO 20 21.061 -4.089 6.170 653 H VAL 21 H VAL 21 19.125 1.028 6.906 654 HA VAL 21 HA VAL 21 19.334 2.462 4.351 655 HB VAL 21 HB VAL 21 16.874 2.381 6.160 656 HG11 VAL 21 HG11 VAL 21 17.272 3.680 3.477 657 HG12 VAL 21 HG12 VAL 21 17.142 4.507 5.029 658 HG13 VAL 21 HG13 VAL 21 15.759 3.626 4.381 659 HG21 VAL 21 HG21 VAL 21 15.725 1.192 4.348 660 HG22 VAL 21 HG22 VAL 21 17.095 0.262 4.962 661 HG23 VAL 21 HG23 VAL 21 17.232 1.133 3.435 662 H SER 22 H SER 22 20.111 4.512 4.724 663 HA SER 22 HA SER 22 20.638 5.163 7.495 664 HG SER 22 HG SER 22 22.878 7.673 6.189 665 HB2 SER 22 HB2 SER 22 22.491 5.283 5.890 666 HB3 SER 22 HB3 SER 22 21.616 6.502 4.962 667 H ARG 23 H ARG 23 18.769 6.409 4.779 668 HA ARG 23 HA ARG 23 17.856 8.540 6.555 669 HE ARG 23 HE ARG 23 19.133 9.351 2.188 670 HB2 ARG 23 HB2 ARG 23 17.993 8.513 3.563 671 HB3 ARG 23 HB3 ARG 23 17.294 9.814 4.526 672 HG2 ARG 23 HG2 ARG 23 19.448 10.090 5.680 673 HG3 ARG 23 HG3 ARG 23 20.140 8.861 4.628 674 HD2 ARG 23 HD2 ARG 23 18.905 11.426 3.810 675 HD3 ARG 23 HD3 ARG 23 20.649 11.110 3.915 676 HH11 ARG 23 HH11 ARG 23 21.253 12.205 2.317 677 HH12 ARG 23 HH12 ARG 23 21.506 12.222 0.635 678 HH21 ARG 23 HH21 ARG 23 19.550 9.379 -0.082 679 HH22 ARG 23 HH22 ARG 23 20.539 10.579 -0.761 680 H ILE 24 H ILE 24 15.746 8.800 6.909 681 HA ILE 24 HA ILE 24 14.111 6.475 6.585 682 HB ILE 24 HB ILE 24 13.407 9.200 7.685 683 HG12 ILE 24 HG12 ILE 24 15.239 8.175 8.947 684 HG13 ILE 24 HG13 ILE 24 13.765 8.215 9.906 685 HG21 ILE 24 HG21 ILE 24 11.977 6.562 7.986 686 HG22 ILE 24 HG22 ILE 24 11.408 7.964 7.080 687 HG23 ILE 24 HG23 ILE 24 11.554 8.047 8.838 688 HD11 ILE 24 HD11 ILE 24 14.892 5.823 8.469 689 HD12 ILE 24 HD12 ILE 24 13.393 5.862 9.396 690 HD13 ILE 24 HD13 ILE 24 14.935 6.127 10.208 691 H LYS 25 H LYS 25 12.840 6.038 4.911 692 HA LYS 25 HA LYS 25 11.943 8.231 3.222 693 HB2 LYS 25 HB2 LYS 25 11.678 5.243 2.804 694 HB3 LYS 25 HB3 LYS 25 10.797 6.406 1.844 695 HG2 LYS 25 HG2 LYS 25 12.724 5.707 0.637 696 HG3 LYS 25 HG3 LYS 25 12.923 7.388 1.116 697 HD2 LYS 25 HD2 LYS 25 14.304 6.598 3.027 698 HD3 LYS 25 HD3 LYS 25 14.199 4.965 2.363 699 HE2 LYS 25 HE2 LYS 25 15.264 7.376 0.974 700 HE3 LYS 25 HE3 LYS 25 16.269 6.107 1.690 701 HZ1 LYS 25 HZ1 LYS 25 16.052 5.809 -0.690 702 HZ2 LYS 25 HZ2 LYS 25 14.388 5.828 -0.609 703 HZ3 LYS 25 HZ3 LYS 25 15.254 4.539 0.078 704 H THR 26 H THR 26 10.053 9.004 3.131 705 HA THR 26 HA THR 26 8.013 8.008 5.034 706 HB THR 26 HB THR 26 7.080 10.307 4.810 707 HG1 THR 26 HG1 THR 26 7.885 10.951 2.884 708 HG21 THR 26 HG21 THR 26 9.969 10.189 5.706 709 HG22 THR 26 HG22 THR 26 8.567 9.756 6.686 710 HG23 THR 26 HG23 THR 26 8.802 11.428 6.174 711 H TYR 27 H TYR 27 6.284 7.147 4.252 712 HA TYR 27 HA TYR 27 5.436 7.918 1.577 713 HD1 TYR 27 HD1 TYR 27 8.069 5.227 2.221 714 HD2 TYR 27 HD2 TYR 27 5.178 6.125 -0.752 715 HE1 TYR 27 HE1 TYR 27 9.804 5.051 0.489 716 HE2 TYR 27 HE2 TYR 27 6.865 5.968 -2.479 717 HH TYR 27 HH TYR 27 10.110 4.794 -1.819 718 HB2 TYR 27 HB2 TYR 27 5.688 5.164 2.692 719 HB3 TYR 27 HB3 TYR 27 4.498 5.523 1.434 720 H THR 28 H THR 28 3.474 8.540 1.397 721 HA THR 28 HA THR 28 1.830 8.236 3.794 722 HB THR 28 HB THR 28 0.796 10.425 3.195 723 HG1 THR 28 HG1 THR 28 1.768 10.010 0.877 724 HG21 THR 28 HG21 THR 28 3.815 10.489 3.414 725 HG22 THR 28 HG22 THR 28 2.702 10.369 4.770 726 HG23 THR 28 HG23 THR 28 2.733 11.830 3.784 727 H ILE 29 H ILE 29 -0.088 7.309 3.590 728 HA ILE 29 HA ILE 29 -1.533 7.453 1.046 729 HB ILE 29 HB ILE 29 -1.255 4.999 2.806 730 HG12 ILE 29 HG12 ILE 29 -0.462 5.472 -0.072 731 HG13 ILE 29 HG13 ILE 29 0.632 5.280 1.297 732 HG21 ILE 29 HG21 ILE 29 -2.785 3.852 1.252 733 HG22 ILE 29 HG22 ILE 29 -3.047 5.367 0.396 734 HG23 ILE 29 HG23 ILE 29 -3.568 5.201 2.073 735 HD11 ILE 29 HD11 ILE 29 0.532 3.241 0.019 736 HD12 ILE 29 HD12 ILE 29 -1.231 3.232 0.179 737 HD13 ILE 29 HD13 ILE 29 -0.228 3.015 1.603 738 H THR 30 H THR 30 -3.441 8.396 1.451 739 HA THR 30 HA THR 30 -4.545 7.869 4.071 740 HB THR 30 HB THR 30 -3.826 10.241 3.946 741 HG1 THR 30 HG1 THR 30 -5.882 9.394 4.958 742 HG21 THR 30 HG21 THR 30 -5.882 10.476 1.741 743 HG22 THR 30 HG22 THR 30 -4.140 10.653 1.540 744 HG23 THR 30 HG23 THR 30 -5.043 11.836 2.491 745 H GLU 31 H GLU 31 -6.351 6.885 4.101 746 HA GLU 31 HA GLU 31 -7.896 6.679 1.617 747 HB2 GLU 31 HB2 GLU 31 -6.686 4.631 1.973 748 HB3 GLU 31 HB3 GLU 31 -7.196 4.564 3.648 749 HG2 GLU 31 HG2 GLU 31 -8.340 2.943 2.201 750 HG3 GLU 31 HG3 GLU 31 -9.433 4.058 3.012 751 H GLY 32 H GLY 32 -9.749 7.660 1.864 752 HA2 GLY 32 HA2 GLY 32 -11.854 8.074 2.681 753 HA3 GLY 32 HA3 GLY 32 -11.527 6.930 3.977 754 H SER 33 H SER 33 -10.084 7.700 5.678 755 HA SER 33 HA SER 33 -9.932 10.537 6.020 756 HG SER 33 HG SER 33 -12.178 10.935 8.792 757 HB2 SER 33 HB2 SER 33 -12.304 9.982 6.650 758 HB3 SER 33 HB3 SER 33 -11.680 8.973 7.948 759 H LEU 34 H LEU 34 -8.402 7.667 6.364 760 HA LEU 34 HA LEU 34 -7.017 8.676 8.745 761 HG LEU 34 HG LEU 34 -5.962 5.393 7.147 762 HB2 LEU 34 HB2 LEU 34 -6.209 6.455 9.354 763 HB3 LEU 34 HB3 LEU 34 -7.950 6.361 9.190 764 HD11 LEU 34 HD11 LEU 34 -6.483 3.153 8.030 765 HD12 LEU 34 HD12 LEU 34 -7.472 3.885 9.291 766 HD13 LEU 34 HD13 LEU 34 -5.732 4.169 9.254 767 HD21 LEU 34 HD21 LEU 34 -8.190 5.883 6.283 768 HD22 LEU 34 HD22 LEU 34 -8.895 4.840 7.518 769 HD23 LEU 34 HD23 LEU 34 -7.861 4.159 6.264 770 H ARG 35 H ARG 35 -4.933 8.994 8.672 771 HA ARG 35 HA ARG 35 -3.623 8.623 6.047 772 HE ARG 35 HE ARG 35 -4.974 13.263 6.329 773 HB2 ARG 35 HB2 ARG 35 -2.575 10.140 8.452 774 HB3 ARG 35 HB3 ARG 35 -1.718 9.950 6.949 775 HG2 ARG 35 HG2 ARG 35 -2.554 12.127 6.940 776 HG3 ARG 35 HG3 ARG 35 -3.630 11.227 5.877 777 HD2 ARG 35 HD2 ARG 35 -5.292 11.097 7.617 778 HD3 ARG 35 HD3 ARG 35 -4.185 11.855 8.766 779 HH11 ARG 35 HH11 ARG 35 -4.870 13.153 9.913 780 HH12 ARG 35 HH12 ARG 35 -5.479 14.740 10.027 781 HH21 ARG 35 HH21 ARG 35 -5.727 15.408 6.615 782 HH22 ARG 35 HH22 ARG 35 -5.952 16.042 8.191 783 H ALA 36 H ALA 36 -2.165 7.065 5.745 784 HA ALA 36 HA ALA 36 -0.975 5.856 8.121 785 HB1 ALA 36 HB1 ALA 36 -2.459 4.300 6.947 786 HB2 ALA 36 HB2 ALA 36 -0.778 3.798 6.776 787 HB3 ALA 36 HB3 ALA 36 -1.599 4.603 5.439 788 H VAL 37 H VAL 37 1.045 6.449 8.288 789 HA VAL 37 HA VAL 37 2.551 7.078 5.843 790 HB VAL 37 HB VAL 37 3.100 8.114 8.643 791 HG11 VAL 37 HG11 VAL 37 4.719 9.597 7.539 792 HG12 VAL 37 HG12 VAL 37 4.376 8.815 5.996 793 HG13 VAL 37 HG13 VAL 37 5.131 7.898 7.301 794 HG21 VAL 37 HG21 VAL 37 1.092 9.148 7.764 795 HG22 VAL 37 HG22 VAL 37 1.932 9.451 6.237 796 HG23 VAL 37 HG23 VAL 37 2.448 10.298 7.687 797 H ILE 38 H ILE 38 4.169 5.835 5.349 798 HA ILE 38 HA ILE 38 5.063 3.835 7.225 799 HB ILE 38 HB ILE 38 5.030 4.141 4.247 800 HG12 ILE 38 HG12 ILE 38 3.902 2.012 6.035 801 HG13 ILE 38 HG13 ILE 38 3.004 3.393 5.411 802 HG21 ILE 38 HG21 ILE 38 6.402 1.936 5.770 803 HG22 ILE 38 HG22 ILE 38 7.193 3.193 4.807 804 HG23 ILE 38 HG23 ILE 38 6.138 2.026 4.021 805 HD11 ILE 38 HD11 ILE 38 3.179 2.699 3.283 806 HD12 ILE 38 HD12 ILE 38 2.675 1.281 4.169 807 HD13 ILE 38 HD13 ILE 38 4.369 1.415 3.611 808 H PHE 39 H PHE 39 7.027 3.937 7.971 809 HA PHE 39 HA PHE 39 8.933 5.815 6.791 810 HD1 PHE 39 HD1 PHE 39 9.347 8.202 8.344 811 HD2 PHE 39 HD2 PHE 39 6.606 5.603 10.292 812 HE1 PHE 39 HE1 PHE 39 7.936 10.133 8.928 813 HE2 PHE 39 HE2 PHE 39 5.195 7.526 10.879 814 HZ PHE 39 HZ PHE 39 5.858 9.793 10.197 815 HB2 PHE 39 HB2 PHE 39 8.731 4.818 9.645 816 HB3 PHE 39 HB3 PHE 39 9.972 5.900 9.028 817 H ILE 40 H ILE 40 10.331 4.793 5.702 818 HA ILE 40 HA ILE 40 10.915 1.988 6.206 819 HB ILE 40 HB ILE 40 12.024 3.862 4.114 820 HG12 ILE 40 HG12 ILE 40 9.608 3.604 3.692 821 HG13 ILE 40 HG13 ILE 40 10.509 2.698 2.507 822 HG21 ILE 40 HG21 ILE 40 12.728 1.815 2.922 823 HG22 ILE 40 HG22 ILE 40 12.253 0.877 4.348 824 HG23 ILE 40 HG23 ILE 40 13.538 2.069 4.466 825 HD11 ILE 40 HD11 ILE 40 9.943 0.600 3.624 826 HD12 ILE 40 HD12 ILE 40 8.511 1.591 3.317 827 HD13 ILE 40 HD13 ILE 40 9.176 1.532 4.931 828 H THR 41 H THR 41 12.495 1.460 7.570 829 HA THR 41 HA THR 41 14.718 3.319 7.909 830 HB THR 41 HB THR 41 13.146 3.727 9.743 831 HG1 THR 41 HG1 THR 41 15.343 3.814 10.212 832 HG21 THR 41 HG21 THR 41 12.001 1.564 9.791 833 HG22 THR 41 HG22 THR 41 12.605 1.987 11.395 834 HG23 THR 41 HG23 THR 41 13.464 0.798 10.418 835 H LYS 42 H LYS 42 16.530 2.195 9.187 836 HA LYS 42 HA LYS 42 17.284 -0.192 7.801 837 HB2 LYS 42 HB2 LYS 42 19.378 -0.093 8.949 838 HB3 LYS 42 HB3 LYS 42 18.906 1.574 8.679 839 HG2 LYS 42 HG2 LYS 42 18.516 0.097 11.276 840 HG3 LYS 42 HG3 LYS 42 19.918 1.089 10.912 841 HD2 LYS 42 HD2 LYS 42 18.548 3.063 10.802 842 HD3 LYS 42 HD3 LYS 42 17.072 2.093 10.920 843 HE2 LYS 42 HE2 LYS 42 17.558 1.428 13.063 844 HE3 LYS 42 HE3 LYS 42 19.195 2.112 13.057 845 HZ1 LYS 42 HZ1 LYS 42 17.777 3.581 14.280 846 HZ2 LYS 42 HZ2 LYS 42 16.586 3.585 13.091 847 HZ3 LYS 42 HZ3 LYS 42 18.075 4.332 12.837 848 H ARG 43 H ARG 43 15.551 0.373 10.639 849 HA ARG 43 HA ARG 43 16.252 -2.124 11.955 850 HE ARG 43 HE ARG 43 16.296 -0.173 15.356 851 HB2 ARG 43 HB2 ARG 43 15.843 -0.049 13.257 852 HB3 ARG 43 HB3 ARG 43 14.203 -0.013 12.657 853 HG2 ARG 43 HG2 ARG 43 13.673 -2.045 13.860 854 HG3 ARG 43 HG3 ARG 43 15.350 -2.200 14.393 855 HD2 ARG 43 HD2 ARG 43 13.474 0.069 15.071 856 HD3 ARG 43 HD3 ARG 43 13.944 -1.239 16.157 857 HH11 ARG 43 HH11 ARG 43 13.421 1.207 16.946 858 HH12 ARG 43 HH12 ARG 43 14.292 2.431 17.729 859 HH21 ARG 43 HH21 ARG 43 17.477 1.551 16.480 860 HH22 ARG 43 HH22 ARG 43 16.595 2.621 17.469 861 H GLY 44 H GLY 44 14.078 -0.946 9.710 862 HA2 GLY 44 HA2 GLY 44 13.011 -3.087 8.667 863 HA3 GLY 44 HA3 GLY 44 12.179 -3.111 10.203 864 H LEU 45 H LEU 45 10.276 -2.440 10.057 865 HA LEU 45 HA LEU 45 9.572 -0.294 8.186 866 HG LEU 45 HG LEU 45 6.639 -2.373 6.802 867 HB2 LEU 45 HB2 LEU 45 8.913 -2.385 7.210 868 HB3 LEU 45 HB3 LEU 45 8.223 -2.940 8.705 869 HD11 LEU 45 HD11 LEU 45 4.936 -1.314 8.243 870 HD12 LEU 45 HD12 LEU 45 6.152 -1.099 9.506 871 HD13 LEU 45 HD13 LEU 45 5.688 -2.713 8.970 872 HD21 LEU 45 HD21 LEU 45 7.339 0.441 7.609 873 HD22 LEU 45 HD22 LEU 45 6.009 -0.023 6.539 874 HD23 LEU 45 HD23 LEU 45 7.683 -0.321 6.057 875 H LYS 46 H LYS 46 8.681 1.414 9.173 876 HA LYS 46 HA LYS 46 7.089 0.860 11.535 877 HB2 LYS 46 HB2 LYS 46 9.040 2.007 12.347 878 HB3 LYS 46 HB3 LYS 46 8.918 3.227 11.090 879 HG2 LYS 46 HG2 LYS 46 7.016 4.224 12.105 880 HG3 LYS 46 HG3 LYS 46 6.793 2.854 13.196 881 HD2 LYS 46 HD2 LYS 46 8.703 3.337 14.351 882 HD3 LYS 46 HD3 LYS 46 9.244 4.605 13.217 883 HE2 LYS 46 HE2 LYS 46 6.815 4.649 15.045 884 HE3 LYS 46 HE3 LYS 46 8.312 5.528 15.332 885 HZ1 LYS 46 HZ1 LYS 46 6.614 6.964 14.419 886 HZ2 LYS 46 HZ2 LYS 46 6.441 6.025 13.044 887 HZ3 LYS 46 HZ3 LYS 46 7.884 6.838 13.345 888 H VAL 47 H VAL 47 5.252 1.898 11.763 889 HA VAL 47 HA VAL 47 4.291 3.409 9.431 890 HB VAL 47 HB VAL 47 3.611 1.029 9.251 891 HG11 VAL 47 HG11 VAL 47 2.085 1.593 11.781 892 HG12 VAL 47 HG12 VAL 47 3.399 0.438 11.564 893 HG13 VAL 47 HG13 VAL 47 1.851 0.175 10.762 894 HG21 VAL 47 HG21 VAL 47 2.254 2.730 8.165 895 HG22 VAL 47 HG22 VAL 47 1.336 2.980 9.653 896 HG23 VAL 47 HG23 VAL 47 1.217 1.447 8.786 897 H CYS 48 H CYS 48 2.922 5.022 9.895 898 HA CYS 48 HA CYS 48 1.928 5.201 12.643 899 HB2 CYS 48 HB2 CYS 48 3.024 7.393 10.908 900 HB3 CYS 48 HB3 CYS 48 1.985 7.713 12.291 901 H ALA 49 H ALA 49 -0.127 5.607 12.893 902 HA ALA 49 HA ALA 49 -1.701 6.134 10.442 903 HB1 ALA 49 HB1 ALA 49 -3.518 4.900 11.480 904 HB2 ALA 49 HB2 ALA 49 -2.546 4.688 12.945 905 HB3 ALA 49 HB3 ALA 49 -2.041 3.918 11.456 906 H ASP 50 H ASP 50 -2.691 7.995 10.443 907 HA ASP 50 HA ASP 50 -3.258 9.356 13.009 908 HB2 ASP 50 HB2 ASP 50 -1.409 10.468 11.804 909 HB3 ASP 50 HB3 ASP 50 -2.422 10.616 10.380 910 HA PRO 51 HA PRO 51 -7.207 8.984 10.895 911 HB2 PRO 51 HB2 PRO 51 -8.712 8.594 13.008 912 HB3 PRO 51 HB3 PRO 51 -7.581 7.353 12.455 913 HG2 PRO 51 HG2 PRO 51 -7.375 9.189 14.791 914 HG3 PRO 51 HG3 PRO 51 -6.793 7.527 14.615 915 HD2 PRO 51 HD2 PRO 51 -5.273 9.891 14.313 916 HD3 PRO 51 HD3 PRO 51 -4.776 8.239 13.894 917 H GLN 52 H GLN 52 -8.257 10.537 10.118 918 HA GLN 52 HA GLN 52 -9.728 12.110 9.767 919 HB2 GLN 52 HB2 GLN 52 -10.456 11.725 12.620 920 HB3 GLN 52 HB3 GLN 52 -11.470 12.367 11.339 921 HG2 GLN 52 HG2 GLN 52 -11.219 10.191 10.139 922 HG3 GLN 52 HG3 GLN 52 -10.383 9.560 11.525 923 HE21 GLN 52 HE21 GLN 52 -11.480 9.223 13.440 924 HE22 GLN 52 HE22 GLN 52 -13.205 9.216 13.511 925 H ALA 53 H ALA 53 -7.245 13.008 11.757 926 HA ALA 53 HA ALA 53 -8.064 15.334 12.992 927 HB1 ALA 53 HB1 ALA 53 -5.754 16.047 13.043 928 HB2 ALA 53 HB2 ALA 53 -5.341 14.891 11.777 929 HB3 ALA 53 HB3 ALA 53 -5.873 14.317 13.359 930 H THR 54 H THR 54 -8.847 17.144 12.378 931 HA THR 54 HA THR 54 -9.270 19.058 11.342 932 HB THR 54 HB THR 54 -7.101 18.340 9.353 933 HG1 THR 54 HG1 THR 54 -6.922 18.967 11.914 934 HG21 THR 54 HG21 THR 54 -7.046 20.758 8.868 935 HG22 THR 54 HG22 THR 54 -8.388 21.012 9.983 936 HG23 THR 54 HG23 THR 54 -8.632 20.078 8.508 937 H TRP 55 H TRP 55 -8.535 16.995 8.448 938 HA TRP 55 HA TRP 55 -11.166 16.513 7.757 939 HD1 TRP 55 HD1 TRP 55 -13.181 17.069 6.671 940 HE1 TRP 55 HE1 TRP 55 -14.362 16.929 4.305 941 HE3 TRP 55 HE3 TRP 55 -9.657 19.421 3.967 942 HZ2 TRP 55 HZ2 TRP 55 -13.754 17.763 1.666 943 HZ3 TRP 55 HZ3 TRP 55 -9.973 19.733 1.540 944 HH2 TRP 55 HH2 TRP 55 -11.977 18.919 0.420 945 HB2 TRP 55 HB2 TRP 55 -11.258 18.962 7.415 946 HB3 TRP 55 HB3 TRP 55 -9.898 18.842 6.299 947 H VAL 56 H VAL 56 -11.126 14.932 6.241 948 HA VAL 56 HA VAL 56 -8.913 14.738 4.342 949 HB VAL 56 HB VAL 56 -10.056 12.404 5.851 950 HG11 VAL 56 HG11 VAL 56 -9.242 11.812 3.660 951 HG12 VAL 56 HG12 VAL 56 -8.152 11.138 4.874 952 HG13 VAL 56 HG13 VAL 56 -7.694 12.591 3.987 953 HG21 VAL 56 HG21 VAL 56 -7.910 12.185 7.045 954 HG22 VAL 56 HG22 VAL 56 -8.749 13.687 7.437 955 HG23 VAL 56 HG23 VAL 56 -7.381 13.704 6.323 956 H ARG 57 H ARG 57 -9.799 14.361 2.315 957 HA ARG 57 HA ARG 57 -12.045 12.657 2.001 958 HE ARG 57 HE ARG 57 -16.236 13.782 -0.236 959 HB2 ARG 57 HB2 ARG 57 -13.194 14.784 2.607 960 HB3 ARG 57 HB3 ARG 57 -12.397 15.571 1.253 961 HG2 ARG 57 HG2 ARG 57 -13.516 14.041 -0.293 962 HG3 ARG 57 HG3 ARG 57 -14.339 13.276 1.063 963 HD2 ARG 57 HD2 ARG 57 -15.383 15.460 1.593 964 HD3 ARG 57 HD3 ARG 57 -14.616 16.139 0.155 965 HH11 ARG 57 HH11 ARG 57 -16.117 17.328 -0.406 966 HH12 ARG 57 HH12 ARG 57 -17.464 17.464 -1.446 967 HH21 ARG 57 HH21 ARG 57 -18.123 13.995 -1.647 968 HH22 ARG 57 HH22 ARG 57 -18.629 15.534 -2.146 969 H ASP 58 H ASP 58 -11.955 11.734 0.044 970 HA ASP 58 HA ASP 58 -10.354 13.051 -2.015 971 HB2 ASP 58 HB2 ASP 58 -9.165 11.054 -1.074 972 HB3 ASP 58 HB3 ASP 58 -10.559 10.063 -1.482 973 H VAL 59 H VAL 59 -11.055 12.140 -4.223 974 HA VAL 59 HA VAL 59 -13.910 12.510 -4.288 975 HB VAL 59 HB VAL 59 -11.991 12.165 -6.597 976 HG11 VAL 59 HG11 VAL 59 -14.303 11.708 -7.215 977 HG12 VAL 59 HG12 VAL 59 -13.752 13.213 -7.948 978 HG13 VAL 59 HG13 VAL 59 -14.807 13.251 -6.536 979 HG21 VAL 59 HG21 VAL 59 -13.028 14.675 -5.285 980 HG22 VAL 59 HG22 VAL 59 -12.090 14.625 -6.779 981 HG23 VAL 59 HG23 VAL 59 -11.372 14.082 -5.265 982 H VAL 60 H VAL 60 -11.636 9.944 -4.907 983 HA VAL 60 HA VAL 60 -13.889 8.111 -5.341 984 HB VAL 60 HB VAL 60 -11.346 7.989 -7.000 985 HG11 VAL 60 HG11 VAL 60 -12.534 6.312 -8.330 986 HG12 VAL 60 HG12 VAL 60 -13.896 6.408 -7.211 987 HG13 VAL 60 HG13 VAL 60 -12.335 5.821 -6.648 988 HG21 VAL 60 HG21 VAL 60 -14.087 8.941 -7.854 989 HG22 VAL 60 HG22 VAL 60 -12.717 8.671 -8.934 990 HG23 VAL 60 HG23 VAL 60 -12.638 9.932 -7.701 Start of MODEL 6 1 HA VAL 1 HA VAL 1 -5.135 -11.293 18.581 2 HB VAL 1 HB VAL 1 -4.855 -9.230 19.989 3 H1 VAL 1 H1 VAL 1 -4.135 -12.759 20.918 4 H2 VAL 1 H2 VAL 1 -4.386 -13.370 19.379 5 H3 VAL 1 H3 VAL 1 -5.707 -12.870 20.292 6 HG11 VAL 1 HG11 VAL 1 -7.065 -10.215 19.651 7 HG12 VAL 1 HG12 VAL 1 -6.922 -9.492 21.252 8 HG13 VAL 1 HG13 VAL 1 -6.821 -11.240 21.066 9 HG21 VAL 1 HG21 VAL 1 -3.327 -10.161 21.661 10 HG22 VAL 1 HG22 VAL 1 -4.618 -11.202 22.266 11 HG23 VAL 1 HG23 VAL 1 -4.750 -9.450 22.420 12 H GLY 2 H GLY 2 -3.687 -9.812 17.646 13 HA2 GLY 2 HA2 GLY 2 -1.539 -8.788 17.536 14 HA3 GLY 2 HA3 GLY 2 -0.895 -10.119 18.483 15 H SER 3 H SER 3 -0.773 -8.842 15.532 16 HA SER 3 HA SER 3 -0.874 -11.350 14.082 17 HG SER 3 HG SER 3 -2.567 -9.775 13.718 18 HB2 SER 3 HB2 SER 3 -0.219 -8.561 13.117 19 HB3 SER 3 HB3 SER 3 -0.496 -9.978 12.106 20 H GLU 4 H GLU 4 1.390 -9.446 15.784 21 HA GLU 4 HA GLU 4 3.690 -10.279 14.280 22 HB2 GLU 4 HB2 GLU 4 3.707 -8.154 15.579 23 HB3 GLU 4 HB3 GLU 4 3.556 -9.082 17.066 24 HG2 GLU 4 HG2 GLU 4 5.719 -10.215 16.437 25 HG3 GLU 4 HG3 GLU 4 5.874 -9.014 15.161 26 H VAL 5 H VAL 5 3.540 -12.468 14.236 27 HA VAL 5 HA VAL 5 4.142 -13.853 16.764 28 HB VAL 5 HB VAL 5 2.305 -14.968 14.612 29 HG11 VAL 5 HG11 VAL 5 3.097 -16.136 17.280 30 HG12 VAL 5 HG12 VAL 5 3.616 -16.708 15.698 31 HG13 VAL 5 HG13 VAL 5 1.918 -16.828 16.162 32 HG21 VAL 5 HG21 VAL 5 1.182 -13.224 15.906 33 HG22 VAL 5 HG22 VAL 5 1.629 -14.033 17.410 34 HG23 VAL 5 HG23 VAL 5 0.515 -14.809 16.287 35 H SER 6 H SER 6 3.859 -14.748 13.318 36 HA SER 6 HA SER 6 6.253 -16.348 13.533 37 HG SER 6 HG SER 6 3.132 -16.994 12.271 38 HB2 SER 6 HB2 SER 6 4.423 -15.822 11.188 39 HB3 SER 6 HB3 SER 6 5.655 -17.075 11.280 40 H ASP 7 H ASP 7 8.245 -15.701 12.793 41 HA ASP 7 HA ASP 7 8.376 -13.092 11.596 42 HB2 ASP 7 HB2 ASP 7 10.104 -13.651 13.241 43 HB3 ASP 7 HB3 ASP 7 10.644 -14.985 12.224 44 H LYS 8 H LYS 8 7.375 -13.357 9.828 45 HA LYS 8 HA LYS 8 8.877 -14.355 7.500 46 HB2 LYS 8 HB2 LYS 8 5.945 -14.852 8.090 47 HB3 LYS 8 HB3 LYS 8 6.665 -15.016 6.503 48 HG2 LYS 8 HG2 LYS 8 8.035 -16.850 7.285 49 HG3 LYS 8 HG3 LYS 8 7.412 -16.633 8.926 50 HD2 LYS 8 HD2 LYS 8 5.223 -17.275 8.282 51 HD3 LYS 8 HD3 LYS 8 5.618 -17.196 6.570 52 HE2 LYS 8 HE2 LYS 8 6.792 -19.138 8.552 53 HE3 LYS 8 HE3 LYS 8 5.505 -19.509 7.400 54 HZ1 LYS 8 HZ1 LYS 8 7.088 -18.914 5.601 55 HZ2 LYS 8 HZ2 LYS 8 7.626 -20.234 6.516 56 HZ3 LYS 8 HZ3 LYS 8 8.296 -18.729 6.760 57 H ARG 9 H ARG 9 5.853 -12.890 8.396 58 HA ARG 9 HA ARG 9 6.687 -10.467 7.025 59 HE ARG 9 HE ARG 9 4.342 -10.878 3.083 60 HB2 ARG 9 HB2 ARG 9 3.906 -11.634 7.000 61 HB3 ARG 9 HB3 ARG 9 4.527 -10.251 6.085 62 HG2 ARG 9 HG2 ARG 9 5.900 -11.623 4.771 63 HG3 ARG 9 HG3 ARG 9 5.518 -13.060 5.717 64 HD2 ARG 9 HD2 ARG 9 4.183 -13.191 3.781 65 HD3 ARG 9 HD3 ARG 9 3.125 -12.630 5.092 66 HH11 ARG 9 HH11 ARG 9 1.513 -11.722 5.093 67 HH12 ARG 9 HH12 ARG 9 0.478 -10.585 4.381 68 HH21 ARG 9 HH21 ARG 9 2.941 -9.317 2.138 69 HH22 ARG 9 HH22 ARG 9 1.313 -9.139 2.641 70 H THR 10 H THR 10 6.728 -8.998 8.716 71 HA THR 10 HA THR 10 5.279 -9.689 11.104 72 HB THR 10 HB THR 10 6.473 -7.677 12.026 73 HG1 THR 10 HG1 THR 10 6.668 -6.760 9.859 74 HG21 THR 10 HG21 THR 10 8.705 -8.716 12.012 75 HG22 THR 10 HG22 THR 10 8.214 -9.753 10.674 76 HG23 THR 10 HG23 THR 10 7.444 -9.922 12.252 77 H CYS 11 H CYS 11 3.286 -9.024 11.413 78 HA CYS 11 HA CYS 11 2.418 -6.546 10.094 79 HB2 CYS 11 HB2 CYS 11 0.801 -9.046 10.658 80 HB3 CYS 11 HB3 CYS 11 0.189 -7.571 9.932 81 H VAL 12 H VAL 12 1.009 -5.301 11.324 82 HA VAL 12 HA VAL 12 0.165 -6.178 13.983 83 HB VAL 12 HB VAL 12 1.874 -3.656 13.647 84 HG11 VAL 12 HG11 VAL 12 0.418 -4.657 16.084 85 HG12 VAL 12 HG12 VAL 12 0.021 -3.191 15.179 86 HG13 VAL 12 HG13 VAL 12 1.547 -3.309 16.065 87 HG21 VAL 12 HG21 VAL 12 2.290 -6.097 15.364 88 HG22 VAL 12 HG22 VAL 12 3.375 -4.713 15.281 89 HG23 VAL 12 HG23 VAL 12 3.147 -5.758 13.872 90 H SER 13 H SER 13 -1.726 -5.213 14.734 91 HA SER 13 HA SER 13 -2.984 -3.356 12.869 92 HG SER 13 HG SER 13 -3.584 -6.403 14.799 93 HB2 SER 13 HB2 SER 13 -5.149 -4.281 13.771 94 HB3 SER 13 HB3 SER 13 -4.171 -5.450 12.888 95 H LEU 14 H LEU 14 -3.919 -1.513 13.626 96 HA LEU 14 HA LEU 14 -3.389 -0.840 16.438 97 HG LEU 14 HG LEU 14 -1.108 1.662 14.945 98 HB2 LEU 14 HB2 LEU 14 -3.266 0.907 14.003 99 HB3 LEU 14 HB3 LEU 14 -3.348 1.555 15.624 100 HD11 LEU 14 HD11 LEU 14 0.012 0.353 16.636 101 HD12 LEU 14 HD12 LEU 14 -1.406 -0.700 16.763 102 HD13 LEU 14 HD13 LEU 14 -1.532 0.987 17.210 103 HD21 LEU 14 HD21 LEU 14 -1.161 0.074 13.089 104 HD22 LEU 14 HD22 LEU 14 -1.275 -1.269 14.230 105 HD23 LEU 14 HD23 LEU 14 0.193 -0.284 14.165 106 H THR 15 H THR 15 -4.864 0.129 17.634 107 HA THR 15 HA THR 15 -7.505 0.376 16.437 108 HB THR 15 HB THR 15 -8.284 0.383 18.831 109 HG1 THR 15 HG1 THR 15 -5.825 0.875 19.339 110 HG21 THR 15 HG21 THR 15 -6.612 -2.001 18.010 111 HG22 THR 15 HG22 THR 15 -8.287 -1.705 17.539 112 HG23 THR 15 HG23 THR 15 -7.886 -2.011 19.226 113 H THR 16 H THR 16 -7.897 2.344 15.818 114 HA THR 16 HA THR 16 -7.331 4.569 17.617 115 HB THR 16 HB THR 16 -5.635 4.640 15.805 116 HG1 THR 16 HG1 THR 16 -5.885 6.725 15.967 117 HG21 THR 16 HG21 THR 16 -6.868 3.430 14.062 118 HG22 THR 16 HG22 THR 16 -6.316 4.991 13.451 119 HG23 THR 16 HG23 THR 16 -8.002 4.771 13.919 120 H GLN 17 H GLN 17 -8.689 6.544 16.433 121 HA GLN 17 HA GLN 17 -11.385 5.562 16.540 122 HB2 GLN 17 HB2 GLN 17 -12.102 7.926 16.339 123 HB3 GLN 17 HB3 GLN 17 -10.934 7.697 17.627 124 HG2 GLN 17 HG2 GLN 17 -9.181 8.620 16.182 125 HG3 GLN 17 HG3 GLN 17 -10.373 8.839 14.902 126 HE21 GLN 17 HE21 GLN 17 -10.129 11.103 14.833 127 HE22 GLN 17 HE22 GLN 17 -10.698 12.100 16.110 128 H ARG 18 H ARG 18 -11.956 4.405 14.888 129 HA ARG 18 HA ARG 18 -11.520 5.533 12.258 130 HE ARG 18 HE ARG 18 -12.302 3.939 8.550 131 HB2 ARG 18 HB2 ARG 18 -9.912 3.899 12.494 132 HB3 ARG 18 HB3 ARG 18 -11.015 2.722 13.218 133 HG2 ARG 18 HG2 ARG 18 -10.429 2.091 11.000 134 HG3 ARG 18 HG3 ARG 18 -12.144 2.559 10.993 135 HD2 ARG 18 HD2 ARG 18 -11.193 4.886 10.295 136 HD3 ARG 18 HD3 ARG 18 -9.742 3.977 9.879 137 HH11 ARG 18 HH11 ARG 18 -9.276 2.149 8.938 138 HH12 ARG 18 HH12 ARG 18 -9.306 1.534 7.367 139 HH21 ARG 18 HH21 ARG 18 -12.343 3.149 6.469 140 HH22 ARG 18 HH22 ARG 18 -11.128 2.120 5.859 141 H LEU 19 H LEU 19 -13.156 5.364 10.842 142 HA LEU 19 HA LEU 19 -15.742 4.600 11.795 143 HG LEU 19 HG LEU 19 -16.385 7.148 11.224 144 HB2 LEU 19 HB2 LEU 19 -14.777 5.669 9.132 145 HB3 LEU 19 HB3 LEU 19 -16.452 5.348 9.503 146 HD11 LEU 19 HD11 LEU 19 -13.967 7.144 11.765 147 HD12 LEU 19 HD12 LEU 19 -14.509 8.745 11.279 148 HD13 LEU 19 HD13 LEU 19 -13.611 7.737 10.162 149 HD21 LEU 19 HD21 LEU 19 -17.189 7.606 8.993 150 HD22 LEU 19 HD22 LEU 19 -15.544 7.937 8.448 151 HD23 LEU 19 HD23 LEU 19 -16.317 9.007 9.615 152 HA PRO 20 HA PRO 20 -15.352 0.488 10.248 153 HB2 PRO 20 HB2 PRO 20 -17.978 -0.185 10.083 154 HB3 PRO 20 HB3 PRO 20 -17.096 -0.095 11.612 155 HG2 PRO 20 HG2 PRO 20 -18.917 1.903 10.355 156 HG3 PRO 20 HG3 PRO 20 -18.805 1.410 12.053 157 HD2 PRO 20 HD2 PRO 20 -17.692 3.686 11.083 158 HD3 PRO 20 HD3 PRO 20 -16.984 2.783 12.449 159 H VAL 21 H VAL 21 -15.175 -0.415 8.381 160 HA VAL 21 HA VAL 21 -16.727 0.506 6.089 161 HB VAL 21 HB VAL 21 -14.441 1.550 6.112 162 HG11 VAL 21 HG11 VAL 21 -13.165 -0.154 7.200 163 HG12 VAL 21 HG12 VAL 21 -12.458 0.203 5.622 164 HG13 VAL 21 HG13 VAL 21 -13.420 -1.258 5.848 165 HG21 VAL 21 HG21 VAL 21 -13.835 1.011 3.787 166 HG22 VAL 21 HG22 VAL 21 -15.570 1.254 3.988 167 HG23 VAL 21 HG23 VAL 21 -14.918 -0.379 3.850 168 H SER 22 H SER 22 -17.093 -1.200 4.527 169 HA SER 22 HA SER 22 -16.777 -3.847 5.716 170 HG SER 22 HG SER 22 -18.975 -2.180 5.585 171 HB2 SER 22 HB2 SER 22 -18.515 -2.934 3.427 172 HB3 SER 22 HB3 SER 22 -18.520 -4.551 4.136 173 H ARG 23 H ARG 23 -15.666 -1.966 3.054 174 HA ARG 23 HA ARG 23 -14.386 -4.333 1.882 175 HE ARG 23 HE ARG 23 -18.045 -4.257 -0.729 176 HB2 ARG 23 HB2 ARG 23 -14.653 -1.519 0.801 177 HB3 ARG 23 HB3 ARG 23 -13.864 -2.853 -0.024 178 HG2 ARG 23 HG2 ARG 23 -16.781 -2.770 0.731 179 HG3 ARG 23 HG3 ARG 23 -16.130 -2.421 -0.873 180 HD2 ARG 23 HD2 ARG 23 -15.241 -4.685 -1.007 181 HD3 ARG 23 HD3 ARG 23 -15.847 -5.036 0.612 182 HH11 ARG 23 HH11 ARG 23 -15.544 -6.668 -1.414 183 HH12 ARG 23 HH12 ARG 23 -16.598 -7.734 -2.228 184 HH21 ARG 23 HH21 ARG 23 -19.508 -5.772 -1.847 185 HH22 ARG 23 HH22 ARG 23 -18.855 -7.229 -2.463 186 H ILE 24 H ILE 24 -12.249 -4.614 1.995 187 HA ILE 24 HA ILE 24 -10.787 -2.791 3.735 188 HB ILE 24 HB ILE 24 -10.200 -5.626 2.845 189 HG12 ILE 24 HG12 ILE 24 -12.170 -5.544 4.281 190 HG13 ILE 24 HG13 ILE 24 -10.831 -6.295 5.134 191 HG21 ILE 24 HG21 ILE 24 -8.486 -5.659 4.609 192 HG22 ILE 24 HG22 ILE 24 -8.792 -3.953 4.927 193 HG23 ILE 24 HG23 ILE 24 -8.135 -4.456 3.369 194 HD11 ILE 24 HD11 ILE 24 -11.797 -3.462 5.499 195 HD12 ILE 24 HD12 ILE 24 -10.452 -4.229 6.354 196 HD13 ILE 24 HD13 ILE 24 -12.097 -4.818 6.586 197 H LYS 25 H LYS 25 -9.161 -1.613 2.949 198 HA LYS 25 HA LYS 25 -8.435 -2.091 0.172 199 HB2 LYS 25 HB2 LYS 25 -7.986 0.398 1.839 200 HB3 LYS 25 HB3 LYS 25 -7.259 0.132 0.271 201 HG2 LYS 25 HG2 LYS 25 -9.139 1.529 -0.031 202 HG3 LYS 25 HG3 LYS 25 -9.534 -0.049 -0.690 203 HD2 LYS 25 HD2 LYS 25 -10.771 -0.556 1.394 204 HD3 LYS 25 HD3 LYS 25 -10.433 1.086 1.955 205 HE2 LYS 25 HE2 LYS 25 -11.500 1.934 -0.114 206 HE3 LYS 25 HE3 LYS 25 -11.922 0.265 -0.492 207 HZ1 LYS 25 HZ1 LYS 25 -13.809 1.372 0.564 208 HZ2 LYS 25 HZ2 LYS 25 -12.847 1.856 1.826 209 HZ3 LYS 25 HZ3 LYS 25 -13.197 0.203 1.638 210 H THR 26 H THR 26 -6.488 -2.398 -0.492 211 HA THR 26 HA THR 26 -4.363 -2.943 1.529 212 HB THR 26 HB THR 26 -3.561 -4.664 -0.080 213 HG1 THR 26 HG1 THR 26 -5.022 -3.512 -1.749 214 HG21 THR 26 HG21 THR 26 -4.981 -5.338 1.806 215 HG22 THR 26 HG22 THR 26 -5.289 -6.355 0.397 216 HG23 THR 26 HG23 THR 26 -6.421 -5.071 0.824 217 H TYR 27 H TYR 27 -2.628 -1.774 1.276 218 HA TYR 27 HA TYR 27 -2.083 -0.666 -1.371 219 HD1 TYR 27 HD1 TYR 27 -2.158 2.166 -2.061 220 HD2 TYR 27 HD2 TYR 27 -4.420 0.929 1.298 221 HE1 TYR 27 HE1 TYR 27 -4.083 3.254 -3.006 222 HE2 TYR 27 HE2 TYR 27 -6.404 2.040 0.383 223 HH TYR 27 HH TYR 27 -7.004 3.756 -1.190 224 HB2 TYR 27 HB2 TYR 27 -2.004 0.776 1.261 225 HB3 TYR 27 HB3 TYR 27 -1.077 1.336 -0.134 226 H THR 28 H THR 28 -0.202 -0.989 -2.105 227 HA THR 28 HA THR 28 1.679 -2.146 -0.204 228 HB THR 28 HB THR 28 2.553 -3.643 -1.989 229 HG1 THR 28 HG1 THR 28 0.335 -2.775 -3.533 230 HG21 THR 28 HG21 THR 28 0.663 -5.150 -2.133 231 HG22 THR 28 HG22 THR 28 -0.454 -3.833 -1.779 232 HG23 THR 28 HG23 THR 28 0.666 -4.397 -0.544 233 H ILE 29 H ILE 29 3.637 -1.317 -0.091 234 HA ILE 29 HA ILE 29 4.538 0.383 -2.288 235 HB ILE 29 HB ILE 29 4.779 0.952 0.675 236 HG12 ILE 29 HG12 ILE 29 3.480 2.463 -1.602 237 HG13 ILE 29 HG13 ILE 29 2.664 1.632 -0.290 238 HG21 ILE 29 HG21 ILE 29 6.138 2.449 -1.572 239 HG22 ILE 29 HG22 ILE 29 6.928 1.448 -0.353 240 HG23 ILE 29 HG23 ILE 29 6.102 2.929 0.130 241 HD11 ILE 29 HD11 ILE 29 2.634 4.019 0.061 242 HD12 ILE 29 HD12 ILE 29 4.393 4.076 -0.055 243 HD13 ILE 29 HD13 ILE 29 3.646 3.237 1.289 244 H THR 30 H THR 30 6.340 -0.321 -3.139 245 HA THR 30 HA THR 30 8.068 -2.012 -1.505 246 HB THR 30 HB THR 30 7.262 -3.124 -3.555 247 HG1 THR 30 HG1 THR 30 10.051 -2.494 -3.642 248 HG21 THR 30 HG21 THR 30 8.625 -0.896 -5.038 249 HG22 THR 30 HG22 THR 30 6.880 -1.168 -4.958 250 HG23 THR 30 HG23 THR 30 7.922 -2.327 -5.799 251 H GLU 31 H GLU 31 9.880 -1.204 -0.860 252 HA GLU 31 HA GLU 31 11.058 1.095 -2.246 253 HB2 GLU 31 HB2 GLU 31 9.490 2.114 -0.710 254 HB3 GLU 31 HB3 GLU 31 10.119 1.176 0.625 255 HG2 GLU 31 HG2 GLU 31 10.824 3.520 0.713 256 HG3 GLU 31 HG3 GLU 31 12.194 2.427 0.566 257 H GLY 32 H GLY 32 12.927 0.059 -2.708 258 HA2 GLY 32 HA2 GLY 32 15.175 -0.208 -2.269 259 HA3 GLY 32 HA3 GLY 32 14.850 0.040 -0.565 260 H SER 33 H SER 33 13.557 -1.892 0.390 261 HA SER 33 HA SER 33 14.189 -4.465 -0.730 262 HG SER 33 HG SER 33 16.544 -2.661 1.592 263 HB2 SER 33 HB2 SER 33 15.649 -5.178 1.207 264 HB3 SER 33 HB3 SER 33 16.386 -4.039 0.082 265 H LEU 34 H LEU 34 11.927 -2.861 0.609 266 HA LEU 34 HA LEU 34 10.885 -5.188 1.941 267 HG LEU 34 HG LEU 34 9.549 -1.826 3.112 268 HB2 LEU 34 HB2 LEU 34 10.044 -4.075 3.909 269 HB3 LEU 34 HB3 LEU 34 11.761 -3.748 3.821 270 HD11 LEU 34 HD11 LEU 34 10.173 -0.716 5.206 271 HD12 LEU 34 HD12 LEU 34 11.311 -2.016 5.549 272 HD13 LEU 34 HD13 LEU 34 9.585 -2.359 5.472 273 HD21 LEU 34 HD21 LEU 34 11.665 -1.438 1.920 274 HD22 LEU 34 HD22 LEU 34 12.505 -1.374 3.458 275 HD23 LEU 34 HD23 LEU 34 11.299 -0.144 3.043 276 H ARG 35 H ARG 35 8.829 -5.458 1.573 277 HA ARG 35 HA ARG 35 7.444 -3.260 0.209 278 HE ARG 35 HE ARG 35 7.221 -7.907 -1.006 279 HB2 ARG 35 HB2 ARG 35 6.723 -6.197 0.233 280 HB3 ARG 35 HB3 ARG 35 5.869 -4.938 -0.650 281 HG2 ARG 35 HG2 ARG 35 7.943 -4.526 -1.949 282 HG3 ARG 35 HG3 ARG 35 8.675 -5.898 -1.116 283 HD2 ARG 35 HD2 ARG 35 6.222 -5.946 -2.839 284 HD3 ARG 35 HD3 ARG 35 7.824 -6.545 -3.275 285 HH11 ARG 35 HH11 ARG 35 5.581 -7.564 -4.114 286 HH12 ARG 35 HH12 ARG 35 4.819 -9.077 -4.062 287 HH21 ARG 35 HH21 ARG 35 6.194 -9.971 -0.908 288 HH22 ARG 35 HH22 ARG 35 5.184 -10.516 -2.185 289 H ALA 36 H ALA 36 6.018 -2.216 1.328 290 HA ALA 36 HA ALA 36 5.080 -3.411 3.841 291 HB1 ALA 36 HB1 ALA 36 4.615 -1.111 4.547 292 HB2 ALA 36 HB2 ALA 36 5.157 -0.527 2.973 293 HB3 ALA 36 HB3 ALA 36 6.300 -1.308 4.063 294 H VAL 37 H VAL 37 2.978 -3.745 4.177 295 HA VAL 37 HA VAL 37 1.129 -2.856 2.063 296 HB VAL 37 HB VAL 37 0.852 -5.375 3.724 297 HG11 VAL 37 HG11 VAL 37 -0.994 -5.923 2.202 298 HG12 VAL 37 HG12 VAL 37 -0.788 -4.366 1.401 299 HG13 VAL 37 HG13 VAL 37 -1.304 -4.429 3.086 300 HG21 VAL 37 HG21 VAL 37 1.191 -6.535 1.572 301 HG22 VAL 37 HG22 VAL 37 2.648 -5.685 2.147 302 HG23 VAL 37 HG23 VAL 37 1.636 -4.985 0.873 303 H ILE 38 H ILE 38 -0.397 -1.568 2.695 304 HA ILE 38 HA ILE 38 -0.995 -1.291 5.508 305 HB ILE 38 HB ILE 38 -1.351 0.433 3.077 306 HG12 ILE 38 HG12 ILE 38 0.079 0.917 5.673 307 HG13 ILE 38 HG13 ILE 38 0.826 0.385 4.171 308 HG21 ILE 38 HG21 ILE 38 -3.391 0.639 4.395 309 HG22 ILE 38 HG22 ILE 38 -2.424 2.104 4.393 310 HG23 ILE 38 HG23 ILE 38 -2.427 1.059 5.825 311 HD11 ILE 38 HD11 ILE 38 -0.730 2.935 4.407 312 HD12 ILE 38 HD12 ILE 38 0.300 2.348 3.100 313 HD13 ILE 38 HD13 ILE 38 1.018 2.822 4.667 314 H PHE 39 H PHE 39 -2.729 -2.273 6.179 315 HA PHE 39 HA PHE 39 -4.875 -2.867 4.297 316 HD1 PHE 39 HD1 PHE 39 -5.676 -5.660 4.114 317 HD2 PHE 39 HD2 PHE 39 -2.215 -5.065 6.503 318 HE1 PHE 39 HE1 PHE 39 -4.598 -7.569 3.012 319 HE2 PHE 39 HE2 PHE 39 -1.131 -6.976 5.403 320 HZ PHE 39 HZ PHE 39 -2.325 -8.227 3.656 321 HB2 PHE 39 HB2 PHE 39 -4.254 -3.987 7.029 322 HB3 PHE 39 HB3 PHE 39 -5.741 -4.324 6.158 323 H ILE 40 H ILE 40 -6.347 -1.494 4.255 324 HA ILE 40 HA ILE 40 -6.843 0.239 6.527 325 HB ILE 40 HB ILE 40 -8.072 0.054 3.776 326 HG12 ILE 40 HG12 ILE 40 -5.807 0.826 3.500 327 HG13 ILE 40 HG13 ILE 40 -6.865 2.218 3.383 328 HG21 ILE 40 HG21 ILE 40 -9.699 0.986 5.220 329 HG22 ILE 40 HG22 ILE 40 -9.045 2.278 4.205 330 HG23 ILE 40 HG23 ILE 40 -8.528 2.114 5.885 331 HD11 ILE 40 HD11 ILE 40 -6.258 2.888 5.676 332 HD12 ILE 40 HD12 ILE 40 -4.859 2.708 4.614 333 HD13 ILE 40 HD13 ILE 40 -5.219 1.457 5.766 334 H THR 41 H THR 41 -8.130 -0.538 8.078 335 HA THR 41 HA THR 41 -10.150 -2.478 7.296 336 HB THR 41 HB THR 41 -8.308 -3.726 8.209 337 HG1 THR 41 HG1 THR 41 -9.599 -4.895 9.291 338 HG21 THR 41 HG21 THR 41 -7.188 -1.956 9.473 339 HG22 THR 41 HG22 THR 41 -7.457 -3.367 10.491 340 HG23 THR 41 HG23 THR 41 -8.499 -1.952 10.651 341 H LYS 42 H LYS 42 -11.893 -2.689 8.606 342 HA LYS 42 HA LYS 42 -13.238 -0.418 9.393 343 HB2 LYS 42 HB2 LYS 42 -14.931 -1.870 10.418 344 HB3 LYS 42 HB3 LYS 42 -14.426 -2.477 8.854 345 HG2 LYS 42 HG2 LYS 42 -13.448 -3.570 11.508 346 HG3 LYS 42 HG3 LYS 42 -14.786 -4.246 10.587 347 HD2 LYS 42 HD2 LYS 42 -13.282 -4.811 8.762 348 HD3 LYS 42 HD3 LYS 42 -11.955 -3.980 9.574 349 HE2 LYS 42 HE2 LYS 42 -11.719 -6.337 9.867 350 HE3 LYS 42 HE3 LYS 42 -12.075 -5.535 11.391 351 HZ1 LYS 42 HZ1 LYS 42 -14.072 -6.994 9.735 352 HZ2 LYS 42 HZ2 LYS 42 -14.356 -6.322 11.269 353 HZ3 LYS 42 HZ3 LYS 42 -13.321 -7.619 11.097 354 H ARG 43 H ARG 43 -11.137 -2.423 11.390 355 HA ARG 43 HA ARG 43 -12.119 -1.113 13.792 356 HE ARG 43 HE ARG 43 -8.716 -4.405 14.873 357 HB2 ARG 43 HB2 ARG 43 -11.549 -3.575 13.796 358 HB3 ARG 43 HB3 ARG 43 -9.859 -3.132 13.605 359 HG2 ARG 43 HG2 ARG 43 -9.917 -1.938 15.734 360 HG3 ARG 43 HG3 ARG 43 -11.618 -2.342 15.922 361 HD2 ARG 43 HD2 ARG 43 -10.304 -3.816 17.276 362 HD3 ARG 43 HD3 ARG 43 -10.994 -4.735 15.945 363 HH11 ARG 43 HH11 ARG 43 -9.151 -4.629 18.400 364 HH12 ARG 43 HH12 ARG 43 -7.608 -5.310 18.663 365 HH21 ARG 43 HH21 ARG 43 -6.583 -5.315 15.288 366 HH22 ARG 43 HH22 ARG 43 -6.119 -5.673 16.867 367 H GLY 44 H GLY 44 -9.789 -0.535 11.468 368 HA2 GLY 44 HA2 GLY 44 -8.961 1.901 12.300 369 HA3 GLY 44 HA3 GLY 44 -7.970 0.831 13.261 370 H LEU 45 H LEU 45 -6.231 0.229 12.510 371 HA LEU 45 HA LEU 45 -5.578 0.322 9.618 372 HG LEU 45 HG LEU 45 -2.475 0.404 10.132 373 HB2 LEU 45 HB2 LEU 45 -4.701 2.382 10.615 374 HB3 LEU 45 HB3 LEU 45 -3.919 1.466 11.882 375 HD11 LEU 45 HD11 LEU 45 -3.826 0.701 8.193 376 HD12 LEU 45 HD12 LEU 45 -2.258 1.484 7.963 377 HD13 LEU 45 HD13 LEU 45 -3.686 2.454 8.322 378 HD21 LEU 45 HD21 LEU 45 -2.279 3.411 10.379 379 HD22 LEU 45 HD22 LEU 45 -0.986 2.359 9.822 380 HD23 LEU 45 HD23 LEU 45 -1.546 2.222 11.465 381 H LYS 46 H LYS 46 -4.182 -1.314 8.954 382 HA LYS 46 HA LYS 46 -2.656 -2.646 10.976 383 HB2 LYS 46 HB2 LYS 46 -4.548 -4.146 10.781 384 HB3 LYS 46 HB3 LYS 46 -4.426 -4.156 9.029 385 HG2 LYS 46 HG2 LYS 46 -2.348 -5.351 9.109 386 HG3 LYS 46 HG3 LYS 46 -2.252 -5.166 10.858 387 HD2 LYS 46 HD2 LYS 46 -4.104 -6.514 11.175 388 HD3 LYS 46 HD3 LYS 46 -4.427 -6.664 9.423 389 HE2 LYS 46 HE2 LYS 46 -2.245 -7.823 9.231 390 HE3 LYS 46 HE3 LYS 46 -2.029 -7.665 10.973 391 HZ1 LYS 46 HZ1 LYS 46 -4.202 -9.201 9.641 392 HZ2 LYS 46 HZ2 LYS 46 -3.993 -9.027 11.303 393 HZ3 LYS 46 HZ3 LYS 46 -2.841 -9.838 10.395 394 H VAL 47 H VAL 47 -0.794 -3.465 10.276 395 HA VAL 47 HA VAL 47 -0.026 -2.635 7.568 396 HB VAL 47 HB VAL 47 0.740 -1.004 9.285 397 HG11 VAL 47 HG11 VAL 47 2.618 -1.648 10.782 398 HG12 VAL 47 HG12 VAL 47 2.344 -3.323 10.330 399 HG13 VAL 47 HG13 VAL 47 1.089 -2.429 11.189 400 HG21 VAL 47 HG21 VAL 47 1.965 -1.207 7.195 401 HG22 VAL 47 HG22 VAL 47 2.923 -2.528 7.864 402 HG23 VAL 47 HG23 VAL 47 3.090 -0.901 8.519 403 H CYS 48 H CYS 48 1.259 -4.004 6.527 404 HA CYS 48 HA CYS 48 2.423 -6.211 8.033 405 HB2 CYS 48 HB2 CYS 48 0.962 -6.329 5.430 406 HB3 CYS 48 HB3 CYS 48 2.204 -7.517 5.813 407 H ALA 49 H ALA 49 4.409 -6.795 7.558 408 HA ALA 49 HA ALA 49 5.779 -5.136 5.555 409 HB1 ALA 49 HB1 ALA 49 6.899 -6.502 8.001 410 HB2 ALA 49 HB2 ALA 49 6.556 -4.784 7.837 411 HB3 ALA 49 HB3 ALA 49 7.817 -5.528 6.845 412 H ASP 50 H ASP 50 6.427 -6.253 3.859 413 HA ASP 50 HA ASP 50 6.760 -9.149 4.098 414 HB2 ASP 50 HB2 ASP 50 4.903 -8.302 2.606 415 HB3 ASP 50 HB3 ASP 50 6.128 -7.524 1.621 416 HA PRO 51 HA PRO 51 10.998 -7.542 3.471 417 HB2 PRO 51 HB2 PRO 51 11.734 -10.287 4.145 418 HB3 PRO 51 HB3 PRO 51 12.145 -8.785 4.976 419 HG2 PRO 51 HG2 PRO 51 10.465 -10.591 6.052 420 HG3 PRO 51 HG3 PRO 51 10.276 -8.845 6.297 421 HD2 PRO 51 HD2 PRO 51 8.791 -10.656 4.435 422 HD3 PRO 51 HD3 PRO 51 8.194 -9.334 5.467 423 H GLN 52 H GLN 52 12.372 -7.747 1.873 424 HA GLN 52 HA GLN 52 11.892 -8.908 -0.496 425 HB2 GLN 52 HB2 GLN 52 14.401 -8.714 -0.816 426 HB3 GLN 52 HB3 GLN 52 13.576 -7.253 -0.297 427 HG2 GLN 52 HG2 GLN 52 15.516 -7.277 0.997 428 HG3 GLN 52 HG3 GLN 52 14.270 -7.878 2.064 429 HE21 GLN 52 HE21 GLN 52 15.747 -8.973 3.405 430 HE22 GLN 52 HE22 GLN 52 16.586 -10.396 2.911 431 H ALA 53 H ALA 53 12.071 -10.841 -1.363 432 HA ALA 53 HA ALA 53 12.401 -13.059 0.420 433 HB1 ALA 53 HB1 ALA 53 10.641 -12.913 -1.173 434 HB2 ALA 53 HB2 ALA 53 11.633 -14.359 -1.479 435 HB3 ALA 53 HB3 ALA 53 11.787 -12.911 -2.505 436 H THR 54 H THR 54 13.925 -11.803 -2.460 437 HA THR 54 HA THR 54 16.488 -12.677 -1.529 438 HB THR 54 HB THR 54 15.518 -13.536 -4.305 439 HG1 THR 54 HG1 THR 54 15.104 -14.661 -1.961 440 HG21 THR 54 HG21 THR 54 18.060 -14.184 -2.782 441 HG22 THR 54 HG22 THR 54 17.941 -13.116 -4.185 442 HG23 THR 54 HG23 THR 54 17.617 -14.837 -4.359 443 H TRP 55 H TRP 55 16.248 -10.342 -1.264 444 HA TRP 55 HA TRP 55 16.437 -8.183 -1.794 445 HD1 TRP 55 HD1 TRP 55 19.166 -6.899 -1.522 446 HE1 TRP 55 HE1 TRP 55 21.208 -8.027 -0.412 447 HE3 TRP 55 HE3 TRP 55 18.979 -11.417 -3.860 448 HZ2 TRP 55 HZ2 TRP 55 22.536 -10.473 -0.517 449 HZ3 TRP 55 HZ3 TRP 55 20.674 -13.107 -3.301 450 HH2 TRP 55 HH2 TRP 55 22.417 -12.647 -1.667 451 HB2 TRP 55 HB2 TRP 55 17.856 -9.261 -4.255 452 HB3 TRP 55 HB3 TRP 55 17.829 -7.559 -3.805 453 H VAL 56 H VAL 56 16.176 -6.744 -4.173 454 HA VAL 56 HA VAL 56 13.850 -7.755 -5.502 455 HB VAL 56 HB VAL 56 12.922 -6.645 -3.486 456 HG11 VAL 56 HG11 VAL 56 13.088 -4.221 -3.195 457 HG12 VAL 56 HG12 VAL 56 14.269 -4.170 -4.505 458 HG13 VAL 56 HG13 VAL 56 14.637 -5.049 -3.023 459 HG21 VAL 56 HG21 VAL 56 12.366 -5.149 -6.048 460 HG22 VAL 56 HG22 VAL 56 11.344 -5.117 -4.612 461 HG23 VAL 56 HG23 VAL 56 11.568 -6.623 -5.494 462 H ARG 57 H ARG 57 13.569 -6.753 -7.485 463 HA ARG 57 HA ARG 57 15.916 -5.506 -8.523 464 HE ARG 57 HE ARG 57 10.447 -5.664 -11.164 465 HB2 ARG 57 HB2 ARG 57 14.743 -5.428 -10.666 466 HB3 ARG 57 HB3 ARG 57 14.569 -7.009 -9.927 467 HG2 ARG 57 HG2 ARG 57 12.296 -6.396 -9.205 468 HG3 ARG 57 HG3 ARG 57 12.484 -4.834 -10.007 469 HD2 ARG 57 HD2 ARG 57 12.856 -5.973 -12.140 470 HD3 ARG 57 HD3 ARG 57 12.668 -7.527 -11.333 471 HH11 ARG 57 HH11 ARG 57 11.853 -8.478 -12.735 472 HH12 ARG 57 HH12 ARG 57 10.400 -9.043 -13.398 473 HH21 ARG 57 HH21 ARG 57 8.410 -6.421 -12.095 474 HH22 ARG 57 HH22 ARG 57 8.405 -7.851 -13.031 475 H ASP 58 H ASP 58 15.383 -3.489 -10.052 476 HA ASP 58 HA ASP 58 14.844 -1.440 -8.149 477 HB2 ASP 58 HB2 ASP 58 15.500 -1.272 -11.077 478 HB3 ASP 58 HB3 ASP 58 15.345 0.134 -10.032 479 H VAL 59 H VAL 59 12.842 -1.330 -7.528 480 HA VAL 59 HA VAL 59 10.946 -0.196 -9.328 481 HB VAL 59 HB VAL 59 10.480 -2.587 -9.705 482 HG11 VAL 59 HG11 VAL 59 11.402 -3.531 -7.676 483 HG12 VAL 59 HG12 VAL 59 9.741 -4.079 -7.913 484 HG13 VAL 59 HG13 VAL 59 10.098 -2.821 -6.728 485 HG21 VAL 59 HG21 VAL 59 8.377 -1.311 -7.959 486 HG22 VAL 59 HG22 VAL 59 8.110 -2.663 -9.060 487 HG23 VAL 59 HG23 VAL 59 8.572 -1.084 -9.695 488 H VAL 60 H VAL 60 9.702 1.230 -8.233 489 HA VAL 60 HA VAL 60 9.989 1.189 -5.310 490 HB VAL 60 HB VAL 60 9.839 3.646 -7.069 491 HG11 VAL 60 HG11 VAL 60 8.838 3.969 -4.905 492 HG12 VAL 60 HG12 VAL 60 10.349 4.868 -5.021 493 HG13 VAL 60 HG13 VAL 60 10.286 3.358 -4.106 494 HG21 VAL 60 HG21 VAL 60 12.000 2.530 -7.329 495 HG22 VAL 60 HG22 VAL 60 12.205 2.500 -5.576 496 HG23 VAL 60 HG23 VAL 60 12.180 4.038 -6.433 497 HA VAL 1 HA VAL 1 9.115 0.111 20.627 498 HB VAL 1 HB VAL 1 10.116 0.645 22.815 499 H1 VAL 1 H1 VAL 1 10.311 2.000 19.047 500 HG11 VAL 1 HG11 VAL 1 10.920 -1.333 21.661 501 HG12 VAL 1 HG12 VAL 1 12.221 -0.586 22.587 502 HG13 VAL 1 HG13 VAL 1 12.150 -0.373 20.842 503 HG21 VAL 1 HG21 VAL 1 10.992 2.870 22.322 504 HG22 VAL 1 HG22 VAL 1 12.192 2.171 21.233 505 HG23 VAL 1 HG23 VAL 1 12.268 1.828 22.960 506 H GLY 2 H GLY 2 7.914 1.306 22.446 507 HA2 GLY 2 HA2 GLY 2 6.619 3.086 23.152 508 HA3 GLY 2 HA3 GLY 2 7.677 4.158 22.234 509 H SER 3 H SER 3 5.783 1.420 21.212 510 HA SER 3 HA SER 3 4.877 2.819 18.908 511 HG SER 3 HG SER 3 6.177 -0.285 19.387 512 HB2 SER 3 HB2 SER 3 4.211 0.056 19.925 513 HB3 SER 3 HB3 SER 3 3.881 0.676 18.308 514 H GLU 4 H GLU 4 2.973 0.978 21.319 515 HA GLU 4 HA GLU 4 0.742 2.744 20.760 516 HB2 GLU 4 HB2 GLU 4 0.320 0.308 20.672 517 HB3 GLU 4 HB3 GLU 4 0.843 0.157 22.341 518 HG2 GLU 4 HG2 GLU 4 -1.034 1.566 23.050 519 HG3 GLU 4 HG3 GLU 4 -1.556 1.700 21.374 520 H VAL 5 H VAL 5 1.173 4.536 21.845 521 HA VAL 5 HA VAL 5 1.478 4.270 24.758 522 HB VAL 5 HB VAL 5 2.514 6.572 23.075 523 HG11 VAL 5 HG11 VAL 5 2.910 5.920 25.984 524 HG12 VAL 5 HG12 VAL 5 1.930 7.233 25.329 525 HG13 VAL 5 HG13 VAL 5 3.683 7.246 25.120 526 HG21 VAL 5 HG21 VAL 5 4.045 4.310 24.357 527 HG22 VAL 5 HG22 VAL 5 4.754 5.705 23.542 528 HG23 VAL 5 HG23 VAL 5 3.794 4.546 22.628 529 H SER 6 H SER 6 0.653 6.938 22.544 530 HA SER 6 HA SER 6 -1.554 7.665 24.274 531 HG SER 6 HG SER 6 -0.058 9.589 24.502 532 HB2 SER 6 HB2 SER 6 -0.465 8.985 21.774 533 HB3 SER 6 HB3 SER 6 -1.625 9.685 22.903 534 H ASP 7 H ASP 7 -3.653 7.252 23.753 535 HA ASP 7 HA ASP 7 -4.124 5.657 21.398 536 HB2 ASP 7 HB2 ASP 7 -5.201 5.082 23.605 537 HB3 ASP 7 HB3 ASP 7 -6.128 6.568 23.490 538 H LYS 8 H LYS 8 -3.728 7.082 19.827 539 HA LYS 8 HA LYS 8 -5.931 8.523 18.745 540 HB2 LYS 8 HB2 LYS 8 -5.062 10.254 20.410 541 HB3 LYS 8 HB3 LYS 8 -3.553 10.244 19.530 542 HG2 LYS 8 HG2 LYS 8 -4.801 12.120 18.785 543 HG3 LYS 8 HG3 LYS 8 -4.831 10.919 17.490 544 HD2 LYS 8 HD2 LYS 8 -6.975 10.129 18.297 545 HD3 LYS 8 HD3 LYS 8 -6.946 11.407 19.519 546 HE2 LYS 8 HE2 LYS 8 -6.942 11.823 16.518 547 HE3 LYS 8 HE3 LYS 8 -8.333 12.053 17.570 548 HZ1 LYS 8 HZ1 LYS 8 -7.267 14.155 17.041 549 HZ2 LYS 8 HZ2 LYS 8 -5.803 13.629 17.679 550 HZ3 LYS 8 HZ3 LYS 8 -7.106 13.850 18.682 551 H ARG 9 H ARG 9 -2.416 8.946 18.518 552 HA ARG 9 HA ARG 9 -2.709 7.884 15.816 553 HE ARG 9 HE ARG 9 -2.132 11.945 13.543 554 HB2 ARG 9 HB2 ARG 9 -0.618 9.909 16.643 555 HB3 ARG 9 HB3 ARG 9 -1.127 9.381 15.026 556 HG2 ARG 9 HG2 ARG 9 -3.155 10.369 15.173 557 HG3 ARG 9 HG3 ARG 9 -3.019 10.707 16.895 558 HD2 ARG 9 HD2 ARG 9 -2.608 12.783 15.830 559 HD3 ARG 9 HD3 ARG 9 -1.024 12.126 16.270 560 HH11 ARG 9 HH11 ARG 9 0.655 12.594 15.668 561 HH12 ARG 9 HH12 ARG 9 1.678 13.023 14.389 562 HH21 ARG 9 HH21 ARG 9 -0.796 12.553 11.879 563 HH22 ARG 9 HH22 ARG 9 0.846 13.007 12.128 564 H THR 10 H THR 10 -2.109 5.811 16.352 565 HA THR 10 HA THR 10 0.207 5.427 17.973 566 HB THR 10 HB THR 10 -0.476 2.982 17.610 567 HG1 THR 10 HG1 THR 10 -2.849 2.968 17.161 568 HG21 THR 10 HG21 THR 10 -2.229 3.147 19.332 569 HG22 THR 10 HG22 THR 10 -2.358 4.878 19.033 570 HG23 THR 10 HG23 THR 10 -0.871 4.205 19.704 571 H CYS 11 H CYS 11 2.002 4.247 17.310 572 HA CYS 11 HA CYS 11 2.300 3.896 14.425 573 HB2 CYS 11 HB2 CYS 11 4.317 5.083 16.347 574 HB3 CYS 11 HB3 CYS 11 4.596 4.736 14.649 575 H VAL 12 H VAL 12 3.683 2.181 13.970 576 HA VAL 12 HA VAL 12 4.791 0.682 16.274 577 HB VAL 12 HB VAL 12 3.177 -0.686 14.081 578 HG11 VAL 12 HG11 VAL 12 4.531 -1.881 16.498 579 HG12 VAL 12 HG12 VAL 12 5.043 -2.070 14.820 580 HG13 VAL 12 HG13 VAL 12 3.500 -2.736 15.352 581 HG21 VAL 12 HG21 VAL 12 1.599 -1.268 15.821 582 HG22 VAL 12 HG22 VAL 12 1.791 0.477 15.695 583 HG23 VAL 12 HG23 VAL 12 2.568 -0.406 17.018 584 H SER 13 H SER 13 6.656 -0.351 16.011 585 HA SER 13 HA SER 13 8.003 -0.015 13.446 586 HG SER 13 HG SER 13 9.074 -1.312 16.665 587 HB2 SER 13 HB2 SER 13 10.042 -0.332 14.907 588 HB3 SER 13 HB3 SER 13 9.112 1.135 15.232 589 H LEU 14 H LEU 14 8.411 -1.803 12.326 590 HA LEU 14 HA LEU 14 8.133 -4.431 13.610 591 HG LEU 14 HG LEU 14 5.729 -4.675 10.715 592 HB2 LEU 14 HB2 LEU 14 7.989 -3.675 10.688 593 HB3 LEU 14 HB3 LEU 14 7.905 -5.304 11.292 594 HD11 LEU 14 HD11 LEU 14 5.918 -5.932 12.718 595 HD12 LEU 14 HD12 LEU 14 4.525 -4.843 12.790 596 HD13 LEU 14 HD13 LEU 14 6.005 -4.458 13.681 597 HD21 LEU 14 HD21 LEU 14 5.994 -2.259 10.637 598 HD22 LEU 14 HD22 LEU 14 6.076 -2.197 12.397 599 HD23 LEU 14 HD23 LEU 14 4.574 -2.689 11.603 600 H THR 15 H THR 15 9.878 -5.660 13.792 601 HA THR 15 HA THR 15 12.108 -4.975 12.079 602 HB THR 15 HB THR 15 13.582 -5.796 14.042 603 HG1 THR 15 HG1 THR 15 11.900 -6.563 15.347 604 HG21 THR 15 HG21 THR 15 12.112 -3.158 14.253 605 HG22 THR 15 HG22 THR 15 13.538 -3.466 13.266 606 HG23 THR 15 HG23 THR 15 13.655 -3.533 15.024 607 H THR 16 H THR 16 12.355 -6.426 10.730 608 HA THR 16 HA THR 16 12.682 -9.217 11.503 609 HB THR 16 HB THR 16 10.368 -8.996 10.594 610 HG1 THR 16 HG1 THR 16 11.178 -10.901 10.140 611 HG21 THR 16 HG21 THR 16 9.976 -8.347 8.268 612 HG22 THR 16 HG22 THR 16 11.696 -7.997 8.061 613 HG23 THR 16 HG23 THR 16 10.713 -7.025 9.161 614 H GLN 17 H GLN 17 13.367 -10.107 8.863 615 HA GLN 17 HA GLN 17 15.985 -9.008 8.717 616 HB2 GLN 17 HB2 GLN 17 15.646 -11.352 8.114 617 HB3 GLN 17 HB3 GLN 17 14.657 -10.872 6.740 618 HG2 GLN 17 HG2 GLN 17 16.577 -9.757 5.722 619 HG3 GLN 17 HG3 GLN 17 17.574 -10.207 7.099 620 HE21 GLN 17 HE21 GLN 17 18.990 -11.299 5.786 621 HE22 GLN 17 HE22 GLN 17 18.627 -12.828 5.087 622 H ARG 18 H ARG 18 16.040 -6.974 8.286 623 HA ARG 18 HA ARG 18 15.256 -6.128 5.609 624 HE ARG 18 HE ARG 18 15.256 -2.644 3.421 625 HB2 ARG 18 HB2 ARG 18 13.735 -5.121 7.017 626 HB3 ARG 18 HB3 ARG 18 14.951 -4.637 8.217 627 HG2 ARG 18 HG2 ARG 18 14.250 -2.714 7.028 628 HG3 ARG 18 HG3 ARG 18 15.870 -3.105 6.434 629 HD2 ARG 18 HD2 ARG 18 14.597 -4.406 4.577 630 HD3 ARG 18 HD3 ARG 18 13.208 -3.455 5.111 631 HH11 ARG 18 HH11 ARG 18 13.395 -1.289 6.134 632 HH12 ARG 18 HH12 ARG 18 13.723 0.317 5.739 633 HH21 ARG 18 HH21 ARG 18 15.613 -0.421 2.826 634 HH22 ARG 18 HH22 ARG 18 14.955 0.839 3.754 635 H LEU 19 H LEU 19 16.741 -5.044 4.462 636 HA LEU 19 HA LEU 19 19.426 -4.851 5.466 637 HG LEU 19 HG LEU 19 19.883 -6.526 3.447 638 HB2 LEU 19 HB2 LEU 19 18.235 -4.084 2.783 639 HB3 LEU 19 HB3 LEU 19 19.938 -4.026 3.165 640 HD11 LEU 19 HD11 LEU 19 17.123 -6.286 2.253 641 HD12 LEU 19 HD12 LEU 19 17.500 -6.846 3.869 642 HD13 LEU 19 HD13 LEU 19 18.020 -7.782 2.473 643 HD21 LEU 19 HD21 LEU 19 20.706 -5.491 1.414 644 HD22 LEU 19 HD22 LEU 19 19.066 -5.430 0.768 645 HD23 LEU 19 HD23 LEU 19 19.846 -6.987 1.049 646 HA PRO 20 HA PRO 20 18.801 -0.736 6.836 647 HB2 PRO 20 HB2 PRO 20 21.358 0.113 7.000 648 HB3 PRO 20 HB3 PRO 20 20.655 -1.036 8.146 649 HG2 PRO 20 HG2 PRO 20 22.384 -1.545 5.772 650 HG3 PRO 20 HG3 PRO 20 22.451 -2.275 7.390 651 HD2 PRO 20 HD2 PRO 20 21.309 -3.491 5.245 652 HD3 PRO 20 HD3 PRO 20 20.750 -3.758 6.917 653 H VAL 21 H VAL 21 18.687 1.272 6.144 654 HA VAL 21 HA VAL 21 19.958 2.037 3.643 655 HB VAL 21 HB VAL 21 17.584 1.420 3.176 656 HG11 VAL 21 HG11 VAL 21 16.866 3.624 5.081 657 HG12 VAL 21 HG12 VAL 21 16.564 1.900 5.289 658 HG13 VAL 21 HG13 VAL 21 15.740 2.793 4.010 659 HG21 VAL 21 HG21 VAL 21 16.924 3.489 1.996 660 HG22 VAL 21 HG22 VAL 21 18.624 3.092 1.763 661 HG23 VAL 21 HG23 VAL 21 18.163 4.369 2.885 662 H SER 22 H SER 22 20.598 4.222 3.588 663 HA SER 22 HA SER 22 20.816 5.400 6.231 664 HG SER 22 HG SER 22 23.245 4.568 3.865 665 HB2 SER 22 HB2 SER 22 22.075 6.227 3.614 666 HB3 SER 22 HB3 SER 22 22.555 6.752 5.233 667 H ARG 23 H ARG 23 18.438 5.496 4.172 668 HA ARG 23 HA ARG 23 17.903 8.360 4.486 669 HE ARG 23 HE ARG 23 20.518 9.602 0.757 670 HB2 ARG 23 HB2 ARG 23 17.254 6.661 2.073 671 HB3 ARG 23 HB3 ARG 23 16.695 8.307 2.310 672 HG2 ARG 23 HG2 ARG 23 19.557 7.412 1.981 673 HG3 ARG 23 HG3 ARG 23 18.558 8.204 0.757 674 HD2 ARG 23 HD2 ARG 23 18.385 10.180 2.220 675 HD3 ARG 23 HD3 ARG 23 19.420 9.380 3.402 676 HH11 ARG 23 HH11 ARG 23 20.284 11.110 3.971 677 HH12 ARG 23 HH12 ARG 23 21.678 12.058 3.774 678 HH21 ARG 23 HH21 ARG 23 22.452 10.935 0.512 679 HH22 ARG 23 HH22 ARG 23 22.912 11.975 1.777 680 H ILE 24 H ILE 24 15.947 8.790 5.281 681 HA ILE 24 HA ILE 24 14.239 6.504 5.945 682 HB ILE 24 HB ILE 24 14.242 9.324 7.059 683 HG12 ILE 24 HG12 ILE 24 16.237 8.100 7.747 684 HG13 ILE 24 HG13 ILE 24 15.153 8.296 9.117 685 HG21 ILE 24 HG21 ILE 24 12.652 6.911 7.943 686 HG22 ILE 24 HG22 ILE 24 12.014 8.357 7.157 687 HG23 ILE 24 HG23 ILE 24 12.704 8.464 8.776 688 HD11 ILE 24 HD11 ILE 24 15.477 5.795 7.464 689 HD12 ILE 24 HD12 ILE 24 14.405 5.997 8.855 690 HD13 ILE 24 HD13 ILE 24 16.153 6.070 9.063 691 H LYS 25 H LYS 25 12.574 6.192 4.683 692 HA LYS 25 HA LYS 25 11.527 8.471 3.188 693 HB2 LYS 25 HB2 LYS 25 11.202 5.520 2.665 694 HB3 LYS 25 HB3 LYS 25 10.189 6.726 1.908 695 HG2 LYS 25 HG2 LYS 25 11.903 6.102 0.404 696 HG3 LYS 25 HG3 LYS 25 12.199 7.753 0.943 697 HD2 LYS 25 HD2 LYS 25 13.860 6.845 2.549 698 HD3 LYS 25 HD3 LYS 25 13.607 5.246 1.833 699 HE2 LYS 25 HE2 LYS 25 14.474 7.712 0.414 700 HE3 LYS 25 HE3 LYS 25 15.559 6.385 0.867 701 HZ1 LYS 25 HZ1 LYS 25 14.967 6.184 -1.427 702 HZ2 LYS 25 HZ2 LYS 25 13.326 6.327 -1.114 703 HZ3 LYS 25 HZ3 LYS 25 14.147 4.944 -0.639 704 H THR 26 H THR 26 9.568 9.150 3.309 705 HA THR 26 HA THR 26 7.742 7.868 5.267 706 HB THR 26 HB THR 26 6.793 10.164 5.551 707 HG1 THR 26 HG1 THR 26 7.721 10.912 3.519 708 HG21 THR 26 HG21 THR 26 9.740 9.920 6.194 709 HG22 THR 26 HG22 THR 26 8.408 9.307 7.176 710 HG23 THR 26 HG23 THR 26 8.613 11.045 6.954 711 H TYR 27 H TYR 27 5.874 7.163 4.447 712 HA TYR 27 HA TYR 27 4.984 8.348 1.949 713 HD1 TYR 27 HD1 TYR 27 5.052 7.272 -0.489 714 HD2 TYR 27 HD2 TYR 27 7.483 5.124 2.209 715 HE1 TYR 27 HE1 TYR 27 6.822 7.363 -2.099 716 HE2 TYR 27 HE2 TYR 27 9.344 5.159 0.602 717 HH TYR 27 HH TYR 27 9.771 5.447 -1.756 718 HB2 TYR 27 HB2 TYR 27 5.171 5.419 2.614 719 HB3 TYR 27 HB3 TYR 27 4.108 6.041 1.353 720 H THR 28 H THR 28 3.083 9.009 2.078 721 HA THR 28 HA THR 28 1.547 7.964 4.318 722 HB THR 28 HB THR 28 1.386 10.849 3.396 723 HG1 THR 28 HG1 THR 28 3.306 9.680 4.562 724 HG21 THR 28 HG21 THR 28 0.460 9.344 5.802 725 HG22 THR 28 HG22 THR 28 -0.609 9.960 4.528 726 HG23 THR 28 HG23 THR 28 0.276 11.085 5.593 727 H ILE 29 H ILE 29 -0.253 7.034 3.845 728 HA ILE 29 HA ILE 29 -1.539 7.652 1.282 729 HB ILE 29 HB ILE 29 -1.481 5.074 2.870 730 HG12 ILE 29 HG12 ILE 29 -0.395 5.819 0.152 731 HG13 ILE 29 HG13 ILE 29 0.541 5.525 1.610 732 HG21 ILE 29 HG21 ILE 29 -2.855 4.057 1.128 733 HG22 ILE 29 HG22 ILE 29 -3.018 5.624 0.315 734 HG23 ILE 29 HG23 ILE 29 -3.709 5.368 1.922 735 HD11 ILE 29 HD11 ILE 29 0.698 3.643 0.170 736 HD12 ILE 29 HD12 ILE 29 -1.056 3.556 0.024 737 HD13 ILE 29 HD13 ILE 29 -0.292 3.180 1.565 738 H THR 30 H THR 30 -3.467 8.582 1.408 739 HA THR 30 HA THR 30 -4.789 8.511 3.996 740 HB THR 30 HB THR 30 -4.166 10.786 3.285 741 HG1 THR 30 HG1 THR 30 -6.853 10.978 2.822 742 HG21 THR 30 HG21 THR 30 -5.919 10.253 0.900 743 HG22 THR 30 HG22 THR 30 -4.172 10.478 0.864 744 HG23 THR 30 HG23 THR 30 -5.228 11.830 1.308 745 H GLU 31 H GLU 31 -6.562 7.412 4.158 746 HA GLU 31 HA GLU 31 -8.095 6.859 1.734 747 HB2 GLU 31 HB2 GLU 31 -6.546 4.995 1.994 748 HB3 GLU 31 HB3 GLU 31 -7.109 4.728 3.633 749 HG2 GLU 31 HG2 GLU 31 -8.015 3.099 2.032 750 HG3 GLU 31 HG3 GLU 31 -9.270 4.053 2.822 751 H GLY 32 H GLY 32 -9.783 8.039 2.336 752 HA2 GLY 32 HA2 GLY 32 -11.889 8.341 3.194 753 HA3 GLY 32 HA3 GLY 32 -11.719 6.777 3.961 754 H SER 33 H SER 33 -10.534 6.746 5.999 755 HA SER 33 HA SER 33 -11.117 9.201 7.538 756 HG SER 33 HG SER 33 -13.064 8.177 7.056 757 HB2 SER 33 HB2 SER 33 -11.538 6.356 8.392 758 HB3 SER 33 HB3 SER 33 -11.889 7.806 9.331 759 H LEU 34 H LEU 34 -8.534 7.406 6.547 760 HA LEU 34 HA LEU 34 -7.095 8.123 8.947 761 HG LEU 34 HG LEU 34 -5.927 5.038 7.079 762 HB2 LEU 34 HB2 LEU 34 -6.035 6.010 9.325 763 HB3 LEU 34 HB3 LEU 34 -7.770 5.762 9.359 764 HD11 LEU 34 HD11 LEU 34 -6.294 2.738 7.817 765 HD12 LEU 34 HD12 LEU 34 -7.221 3.332 9.196 766 HD13 LEU 34 HD13 LEU 34 -5.504 3.710 9.060 767 HD21 LEU 34 HD21 LEU 34 -8.261 5.527 6.444 768 HD22 LEU 34 HD22 LEU 34 -8.806 4.290 7.559 769 HD23 LEU 34 HD23 LEU 34 -7.815 3.866 6.147 770 H ARG 35 H ARG 35 -5.179 8.679 8.617 771 HA ARG 35 HA ARG 35 -3.988 8.194 5.961 772 HE ARG 35 HE ARG 35 -3.928 12.347 8.336 773 HB2 ARG 35 HB2 ARG 35 -3.255 10.317 7.986 774 HB3 ARG 35 HB3 ARG 35 -2.396 10.037 6.476 775 HG2 ARG 35 HG2 ARG 35 -4.458 10.551 5.263 776 HG3 ARG 35 HG3 ARG 35 -5.243 10.893 6.801 777 HD2 ARG 35 HD2 ARG 35 -2.813 12.296 5.724 778 HD3 ARG 35 HD3 ARG 35 -4.462 12.926 5.685 779 HH11 ARG 35 HH11 ARG 35 -2.524 14.507 5.911 780 HH12 ARG 35 HH12 ARG 35 -2.030 15.668 7.044 781 HH21 ARG 35 HH21 ARG 35 -3.294 13.863 9.826 782 HH22 ARG 35 HH22 ARG 35 -2.487 15.312 9.382 783 H ALA 36 H ALA 36 -2.522 6.714 5.847 784 HA ALA 36 HA ALA 36 -1.223 5.841 8.324 785 HB1 ALA 36 HB1 ALA 36 -2.523 4.131 7.163 786 HB2 ALA 36 HB2 ALA 36 -0.802 3.737 7.130 787 HB3 ALA 36 HB3 ALA 36 -1.582 4.407 5.698 788 H VAL 37 H VAL 37 0.832 6.183 8.566 789 HA VAL 37 HA VAL 37 2.384 7.108 6.213 790 HB VAL 37 HB VAL 37 3.055 7.629 9.124 791 HG11 VAL 37 HG11 VAL 37 4.674 9.239 8.230 792 HG12 VAL 37 HG12 VAL 37 4.236 8.758 6.590 793 HG13 VAL 37 HG13 VAL 37 5.006 7.600 7.676 794 HG21 VAL 37 HG21 VAL 37 1.006 8.843 8.408 795 HG22 VAL 37 HG22 VAL 37 1.978 9.530 7.089 796 HG23 VAL 37 HG23 VAL 37 2.383 9.916 8.750 797 H ILE 38 H ILE 38 3.903 5.806 5.490 798 HA ILE 38 HA ILE 38 4.882 3.668 7.167 799 HB ILE 38 HB ILE 38 4.868 4.202 4.206 800 HG12 ILE 38 HG12 ILE 38 3.691 1.977 5.847 801 HG13 ILE 38 HG13 ILE 38 2.823 3.356 5.174 802 HG21 ILE 38 HG21 ILE 38 6.233 1.908 5.599 803 HG22 ILE 38 HG22 ILE 38 7.018 3.242 4.752 804 HG23 ILE 38 HG23 ILE 38 6.017 2.107 3.856 805 HD11 ILE 38 HD11 ILE 38 3.195 2.657 3.010 806 HD12 ILE 38 HD12 ILE 38 2.590 1.262 3.878 807 HD13 ILE 38 HD13 ILE 38 4.321 1.365 3.486 808 H PHE 39 H PHE 39 6.726 4.039 8.109 809 HA PHE 39 HA PHE 39 8.620 5.928 6.931 810 HD1 PHE 39 HD1 PHE 39 9.414 8.133 8.851 811 HD2 PHE 39 HD2 PHE 39 6.325 5.598 10.289 812 HE1 PHE 39 HE1 PHE 39 8.179 10.103 9.642 813 HE2 PHE 39 HE2 PHE 39 5.087 7.563 11.087 814 HZ PHE 39 HZ PHE 39 6.011 9.817 10.763 815 HB2 PHE 39 HB2 PHE 39 8.474 4.731 9.705 816 HB3 PHE 39 HB3 PHE 39 9.774 5.763 9.137 817 H ILE 40 H ILE 40 9.972 5.021 5.710 818 HA ILE 40 HA ILE 40 10.738 2.263 6.189 819 HB ILE 40 HB ILE 40 11.642 4.205 4.054 820 HG12 ILE 40 HG12 ILE 40 9.279 3.768 3.769 821 HG13 ILE 40 HG13 ILE 40 10.169 2.909 2.527 822 HG21 ILE 40 HG21 ILE 40 12.480 2.208 2.874 823 HG22 ILE 40 HG22 ILE 40 12.081 1.238 4.297 824 HG23 ILE 40 HG23 ILE 40 13.296 2.506 4.406 825 HD11 ILE 40 HD11 ILE 40 9.827 0.782 3.774 826 HD12 ILE 40 HD12 ILE 40 8.317 1.627 3.421 827 HD13 ILE 40 HD13 ILE 40 8.994 1.717 5.024 828 H THR 41 H THR 41 12.227 1.978 7.624 829 HA THR 41 HA THR 41 14.199 4.067 7.972 830 HB THR 41 HB THR 41 12.718 3.988 9.879 831 HG1 THR 41 HG1 THR 41 14.210 3.952 11.377 832 HG21 THR 41 HG21 THR 41 11.850 1.723 9.657 833 HG22 THR 41 HG22 THR 41 12.478 1.966 11.286 834 HG23 THR 41 HG23 THR 41 13.420 1.057 10.103 835 H LYS 42 H LYS 42 16.017 2.834 9.409 836 HA LYS 42 HA LYS 42 17.250 1.292 7.347 837 HB2 LYS 42 HB2 LYS 42 19.306 1.284 8.622 838 HB3 LYS 42 HB3 LYS 42 18.626 2.895 8.580 839 HG2 LYS 42 HG2 LYS 42 18.423 1.009 10.941 840 HG3 LYS 42 HG3 LYS 42 19.652 2.254 10.761 841 HD2 LYS 42 HD2 LYS 42 17.919 3.980 10.810 842 HD3 LYS 42 HD3 LYS 42 16.676 2.730 10.889 843 HE2 LYS 42 HE2 LYS 42 17.069 3.664 13.076 844 HE3 LYS 42 HE3 LYS 42 17.526 1.970 13.002 845 HZ1 LYS 42 HZ1 LYS 42 19.870 2.661 12.810 846 HZ2 LYS 42 HZ2 LYS 42 19.153 3.217 14.212 847 HZ3 LYS 42 HZ3 LYS 42 19.405 4.290 12.944 848 H ARG 43 H ARG 43 16.113 0.388 10.592 849 HA ARG 43 HA ARG 43 17.200 -2.254 10.064 850 HE ARG 43 HE ARG 43 15.571 -1.994 14.548 851 HB2 ARG 43 HB2 ARG 43 17.698 -1.153 12.239 852 HB3 ARG 43 HB3 ARG 43 15.990 -1.189 12.627 853 HG2 ARG 43 HG2 ARG 43 15.997 -3.583 12.654 854 HG3 ARG 43 HG3 ARG 43 17.688 -3.629 12.152 855 HD2 ARG 43 HD2 ARG 43 17.551 -3.995 14.539 856 HD3 ARG 43 HD3 ARG 43 18.272 -2.421 14.223 857 HH11 ARG 43 HH11 ARG 43 18.300 -3.104 16.494 858 HH12 ARG 43 HH12 ARG 43 17.614 -2.699 17.988 859 HH21 ARG 43 HH21 ARG 43 14.604 -1.388 16.594 860 HH22 ARG 43 HH22 ARG 43 15.445 -1.691 18.042 861 H GLY 44 H GLY 44 14.316 -0.725 9.538 862 HA2 GLY 44 HA2 GLY 44 13.055 -3.092 8.713 863 HA3 GLY 44 HA3 GLY 44 12.516 -2.759 10.339 864 H LEU 45 H LEU 45 10.516 -2.393 9.919 865 HA LEU 45 HA LEU 45 9.698 -0.186 8.120 866 HG LEU 45 HG LEU 45 6.634 -0.722 8.801 867 HB2 LEU 45 HB2 LEU 45 8.779 -2.345 7.446 868 HB3 LEU 45 HB3 LEU 45 8.209 -2.652 9.063 869 HD11 LEU 45 HD11 LEU 45 7.523 -0.811 5.946 870 HD12 LEU 45 HD12 LEU 45 7.737 0.516 7.088 871 HD13 LEU 45 HD13 LEU 45 6.114 0.056 6.559 872 HD21 LEU 45 HD21 LEU 45 5.024 -1.925 7.368 873 HD22 LEU 45 HD22 LEU 45 5.787 -3.017 8.512 874 HD23 LEU 45 HD23 LEU 45 6.301 -2.995 6.830 875 H LYS 46 H LYS 46 8.287 1.389 9.004 876 HA LYS 46 HA LYS 46 7.077 0.820 11.527 877 HB2 LYS 46 HB2 LYS 46 9.022 2.057 12.300 878 HB3 LYS 46 HB3 LYS 46 8.755 3.325 11.113 879 HG2 LYS 46 HG2 LYS 46 6.738 4.028 12.221 880 HG3 LYS 46 HG3 LYS 46 6.811 2.653 13.319 881 HD2 LYS 46 HD2 LYS 46 8.684 3.461 14.351 882 HD3 LYS 46 HD3 LYS 46 8.917 4.808 13.187 883 HE2 LYS 46 HE2 LYS 46 6.683 5.662 13.990 884 HE3 LYS 46 HE3 LYS 46 6.687 4.379 15.193 885 HZ1 LYS 46 HZ1 LYS 46 8.665 6.582 14.991 886 HZ2 LYS 46 HZ2 LYS 46 8.696 5.370 16.161 887 HZ3 LYS 46 HZ3 LYS 46 7.435 6.477 16.111 888 H VAL 47 H VAL 47 5.203 1.859 11.851 889 HA VAL 47 HA VAL 47 4.156 3.338 9.540 890 HB VAL 47 HB VAL 47 3.482 0.931 9.428 891 HG11 VAL 47 HG11 VAL 47 2.027 1.556 11.983 892 HG12 VAL 47 HG12 VAL 47 3.316 0.381 11.747 893 HG13 VAL 47 HG13 VAL 47 1.741 0.123 10.994 894 HG21 VAL 47 HG21 VAL 47 2.113 2.622 8.337 895 HG22 VAL 47 HG22 VAL 47 1.231 2.903 9.836 896 HG23 VAL 47 HG23 VAL 47 1.078 1.354 9.006 897 H CYS 48 H CYS 48 2.799 4.950 10.063 898 HA CYS 48 HA CYS 48 1.929 5.116 12.859 899 HB2 CYS 48 HB2 CYS 48 2.862 7.370 11.095 900 HB3 CYS 48 HB3 CYS 48 1.867 7.638 12.516 901 H ALA 49 H ALA 49 -0.107 5.813 13.282 902 HA ALA 49 HA ALA 49 -1.817 5.861 10.904 903 HB1 ALA 49 HB1 ALA 49 -3.560 4.987 12.324 904 HB2 ALA 49 HB2 ALA 49 -2.459 5.026 13.718 905 HB3 ALA 49 HB3 ALA 49 -2.113 3.972 12.345 906 H ASP 50 H ASP 50 -2.715 7.714 10.566 907 HA ASP 50 HA ASP 50 -3.131 9.599 12.748 908 HB2 ASP 50 HB2 ASP 50 -1.576 10.426 11.078 909 HB3 ASP 50 HB3 ASP 50 -2.724 10.071 9.795 910 HA PRO 51 HA PRO 51 -7.402 8.583 11.578 911 HB2 PRO 51 HB2 PRO 51 -8.499 9.397 13.843 912 HB3 PRO 51 HB3 PRO 51 -7.584 7.883 13.794 913 HG2 PRO 51 HG2 PRO 51 -6.767 10.559 14.819 914 HG3 PRO 51 HG3 PRO 51 -6.458 8.954 15.510 915 HD2 PRO 51 HD2 PRO 51 -4.670 10.396 14.000 916 HD3 PRO 51 HD3 PRO 51 -4.614 8.621 14.181 917 H GLN 52 H GLN 52 -8.944 9.716 10.927 918 HA GLN 52 HA GLN 52 -8.810 12.196 9.947 919 HB2 GLN 52 HB2 GLN 52 -11.399 12.089 10.134 920 HB3 GLN 52 HB3 GLN 52 -10.528 10.935 9.139 921 HG2 GLN 52 HG2 GLN 52 -12.159 9.680 10.319 922 HG3 GLN 52 HG3 GLN 52 -10.596 9.338 11.032 923 HE21 GLN 52 HE21 GLN 52 -11.568 8.617 13.005 924 HE22 GLN 52 HE22 GLN 52 -12.296 9.738 14.090 925 H ALA 53 H ALA 53 -8.969 14.201 10.521 926 HA ALA 53 HA ALA 53 -9.654 14.825 13.303 927 HB1 ALA 53 HB1 ALA 53 -8.267 16.818 13.032 928 HB2 ALA 53 HB2 ALA 53 -7.991 16.377 11.341 929 HB3 ALA 53 HB3 ALA 53 -7.372 15.346 12.629 930 H THR 54 H THR 54 -10.851 14.858 10.284 931 HA THR 54 HA THR 54 -12.562 17.190 10.770 932 HB THR 54 HB THR 54 -12.943 17.078 8.295 933 HG1 THR 54 HG1 THR 54 -12.297 15.399 7.319 934 HG21 THR 54 HG21 THR 54 -10.745 17.974 7.639 935 HG22 THR 54 HG22 THR 54 -10.038 17.321 9.116 936 HG23 THR 54 HG23 THR 54 -11.240 18.609 9.208 937 H TRP 55 H TRP 55 -12.654 14.277 11.701 938 HA TRP 55 HA TRP 55 -14.074 12.645 12.088 939 HD1 TRP 55 HD1 TRP 55 -16.399 12.722 14.147 940 HE1 TRP 55 HE1 TRP 55 -16.472 14.520 15.982 941 HE3 TRP 55 HE3 TRP 55 -15.435 16.858 11.302 942 HZ2 TRP 55 HZ2 TRP 55 -16.170 17.295 16.207 943 HZ3 TRP 55 HZ3 TRP 55 -15.349 19.053 12.417 944 HH2 TRP 55 HH2 TRP 55 -15.708 19.256 14.818 945 HB2 TRP 55 HB2 TRP 55 -16.114 14.432 10.735 946 HB3 TRP 55 HB3 TRP 55 -16.539 12.889 11.468 947 H VAL 56 H VAL 56 -14.151 13.769 8.847 948 HA VAL 56 HA VAL 56 -12.873 11.709 7.677 949 HB VAL 56 HB VAL 56 -14.816 10.256 8.145 950 HG11 VAL 56 HG11 VAL 56 -16.578 11.888 8.302 951 HG12 VAL 56 HG12 VAL 56 -17.013 10.680 7.096 952 HG13 VAL 56 HG13 VAL 56 -16.428 12.270 6.587 953 HG21 VAL 56 HG21 VAL 56 -15.341 9.467 5.864 954 HG22 VAL 56 HG22 VAL 56 -13.622 9.799 6.085 955 HG23 VAL 56 HG23 VAL 56 -14.639 10.946 5.212 956 H ARG 57 H ARG 57 -12.649 12.217 5.378 957 HA ARG 57 HA ARG 57 -14.139 14.538 4.519 958 HE ARG 57 HE ARG 57 -8.199 14.096 5.281 959 HB2 ARG 57 HB2 ARG 57 -12.090 15.723 3.806 960 HB3 ARG 57 HB3 ARG 57 -12.214 15.587 5.550 961 HG2 ARG 57 HG2 ARG 57 -10.576 13.801 5.541 962 HG3 ARG 57 HG3 ARG 57 -10.508 13.853 3.777 963 HD2 ARG 57 HD2 ARG 57 -9.675 16.141 3.859 964 HD3 ARG 57 HD3 ARG 57 -9.792 16.138 5.617 965 HH11 ARG 57 HH11 ARG 57 -8.058 17.213 3.576 966 HH12 ARG 57 HH12 ARG 57 -6.370 17.160 3.389 967 HH21 ARG 57 HH21 ARG 57 -5.919 14.073 5.019 968 HH22 ARG 57 HH22 ARG 57 -5.115 15.354 4.213 969 H ASP 58 H ASP 58 -13.926 14.939 2.277 970 HA ASP 58 HA ASP 58 -13.548 12.479 0.811 971 HB2 ASP 58 HB2 ASP 58 -14.495 15.198 -0.136 972 HB3 ASP 58 HB3 ASP 58 -14.414 13.757 -1.141 973 H VAL 59 H VAL 59 -11.472 12.108 0.738 974 HA VAL 59 HA VAL 59 -9.862 14.130 -0.572 975 HB VAL 59 HB VAL 59 -9.203 14.139 1.756 976 HG11 VAL 59 HG11 VAL 59 -8.684 11.187 1.537 977 HG12 VAL 59 HG12 VAL 59 -9.981 11.961 2.450 978 HG13 VAL 59 HG13 VAL 59 -8.302 12.209 2.925 979 HG21 VAL 59 HG21 VAL 59 -6.811 13.625 1.584 980 HG22 VAL 59 HG22 VAL 59 -7.408 14.434 0.129 981 HG23 VAL 59 HG23 VAL 59 -7.126 12.695 0.122 982 H VAL 60 H VAL 60 -9.968 13.362 -2.516 983 HA VAL 60 HA VAL 60 -8.898 10.675 -2.988 984 HB VAL 60 HB VAL 60 -10.780 12.242 -4.790 985 HG11 VAL 60 HG11 VAL 60 -9.799 9.396 -4.976 986 HG12 VAL 60 HG12 VAL 60 -9.328 10.735 -6.022 987 HG13 VAL 60 HG13 VAL 60 -10.988 10.141 -6.045 988 HG21 VAL 60 HG21 VAL 60 -11.958 11.534 -2.772 989 HG22 VAL 60 HG22 VAL 60 -11.395 9.880 -3.005 990 HG23 VAL 60 HG23 VAL 60 -12.509 10.601 -4.165 Start of MODEL 7 1 HA VAL 1 HA VAL 1 2.996 -3.864 19.291 2 HB VAL 1 HB VAL 1 5.271 -4.409 20.134 3 H1 VAL 1 H1 VAL 1 1.799 -2.077 20.170 4 H2 VAL 1 H2 VAL 1 3.180 -1.431 19.430 5 H3 VAL 1 H3 VAL 1 3.090 -1.590 21.111 6 HG11 VAL 1 HG11 VAL 1 6.497 -2.796 18.755 7 HG12 VAL 1 HG12 VAL 1 5.063 -1.776 18.684 8 HG13 VAL 1 HG13 VAL 1 5.038 -3.384 17.963 9 HG21 VAL 1 HG21 VAL 1 6.628 -2.667 21.202 10 HG22 VAL 1 HG22 VAL 1 5.234 -3.095 22.191 11 HG23 VAL 1 HG23 VAL 1 5.220 -1.605 21.250 12 H GLY 2 H GLY 2 3.352 -5.812 20.402 13 HA2 GLY 2 HA2 GLY 2 2.471 -5.761 23.219 14 HA3 GLY 2 HA3 GLY 2 1.890 -6.970 22.074 15 H SER 3 H SER 3 4.520 -7.044 20.763 16 HA SER 3 HA SER 3 6.602 -7.661 22.444 17 HG SER 3 HG SER 3 7.158 -10.311 23.291 18 HB2 SER 3 HB2 SER 3 5.211 -9.609 23.170 19 HB3 SER 3 HB3 SER 3 5.079 -10.135 21.496 20 H GLU 4 H GLU 4 5.290 -9.483 19.698 21 HA GLU 4 HA GLU 4 5.777 -9.677 17.569 22 HB2 GLU 4 HB2 GLU 4 6.801 -6.873 17.911 23 HB3 GLU 4 HB3 GLU 4 6.852 -7.692 16.361 24 HG2 GLU 4 HG2 GLU 4 4.910 -6.199 16.589 25 HG3 GLU 4 HG3 GLU 4 4.438 -7.869 16.327 26 H VAL 5 H VAL 5 7.153 -10.700 16.337 27 HA VAL 5 HA VAL 5 9.877 -10.956 17.397 28 HB VAL 5 HB VAL 5 9.992 -13.124 16.222 29 HG11 VAL 5 HG11 VAL 5 7.570 -12.857 17.990 30 HG12 VAL 5 HG12 VAL 5 9.233 -13.078 18.534 31 HG13 VAL 5 HG13 VAL 5 8.421 -14.359 17.634 32 HG21 VAL 5 HG21 VAL 5 7.100 -12.622 15.522 33 HG22 VAL 5 HG22 VAL 5 7.994 -14.114 15.236 34 HG23 VAL 5 HG23 VAL 5 8.447 -12.639 14.382 35 H SER 6 H SER 6 11.511 -11.601 15.617 36 HA SER 6 HA SER 6 11.219 -9.654 13.463 37 HG SER 6 HG SER 6 13.752 -11.150 15.765 38 HB2 SER 6 HB2 SER 6 13.704 -9.941 13.265 39 HB3 SER 6 HB3 SER 6 13.179 -9.333 14.832 40 H ASP 7 H ASP 7 10.291 -12.603 13.753 41 HA ASP 7 HA ASP 7 11.765 -13.944 11.693 42 HB2 ASP 7 HB2 ASP 7 10.916 -15.258 13.547 43 HB3 ASP 7 HB3 ASP 7 9.262 -14.833 13.121 44 H LYS 8 H LYS 8 11.554 -13.424 9.741 45 HA LYS 8 HA LYS 8 10.818 -12.949 7.708 46 HB2 LYS 8 HB2 LYS 8 8.500 -14.700 8.502 47 HB3 LYS 8 HB3 LYS 8 8.869 -14.198 6.860 48 HG2 LYS 8 HG2 LYS 8 11.053 -15.341 7.035 49 HG3 LYS 8 HG3 LYS 8 10.601 -15.890 8.649 50 HD2 LYS 8 HD2 LYS 8 8.693 -17.091 7.712 51 HD3 LYS 8 HD3 LYS 8 9.130 -16.535 6.095 52 HE2 LYS 8 HE2 LYS 8 11.312 -17.686 6.337 53 HE3 LYS 8 HE3 LYS 8 10.781 -18.296 7.900 54 HZ1 LYS 8 HZ1 LYS 8 9.518 -18.871 5.283 55 HZ2 LYS 8 HZ2 LYS 8 8.963 -19.465 6.757 56 HZ3 LYS 8 HZ3 LYS 8 10.457 -19.944 6.159 57 H ARG 9 H ARG 9 7.483 -12.965 8.687 58 HA ARG 9 HA ARG 9 7.459 -10.128 7.858 59 HE ARG 9 HE ARG 9 6.843 -12.158 3.127 60 HB2 ARG 9 HB2 ARG 9 5.238 -12.081 7.392 61 HB3 ARG 9 HB3 ARG 9 5.427 -10.426 6.831 62 HG2 ARG 9 HG2 ARG 9 7.182 -11.002 5.335 63 HG3 ARG 9 HG3 ARG 9 7.256 -12.646 5.960 64 HD2 ARG 9 HD2 ARG 9 4.982 -13.042 5.200 65 HD3 ARG 9 HD3 ARG 9 4.899 -11.409 4.533 66 HH11 ARG 9 HH11 ARG 9 4.249 -14.366 4.205 67 HH12 ARG 9 HH12 ARG 9 4.499 -15.460 2.925 68 HH21 ARG 9 HH21 ARG 9 7.116 -13.708 1.371 69 HH22 ARG 9 HH22 ARG 9 6.113 -15.087 1.322 70 H THR 10 H THR 10 6.861 -8.974 9.543 71 HA THR 10 HA THR 10 4.909 -10.195 11.284 72 HB THR 10 HB THR 10 6.823 -7.925 11.908 73 HG1 THR 10 HG1 THR 10 7.910 -9.529 13.098 74 HG21 THR 10 HG21 THR 10 5.989 -8.226 14.213 75 HG22 THR 10 HG22 THR 10 4.871 -9.464 13.578 76 HG23 THR 10 HG23 THR 10 4.687 -7.793 13.081 77 H CYS 11 H CYS 11 2.951 -9.326 11.467 78 HA CYS 11 HA CYS 11 2.472 -6.733 10.162 79 HB2 CYS 11 HB2 CYS 11 0.578 -9.089 10.513 80 HB3 CYS 11 HB3 CYS 11 0.202 -7.559 9.742 81 H VAL 12 H VAL 12 1.036 -5.411 11.345 82 HA VAL 12 HA VAL 12 0.006 -6.323 13.926 83 HB VAL 12 HB VAL 12 1.899 -3.914 13.798 84 HG11 VAL 12 HG11 VAL 12 0.367 -5.018 16.149 85 HG12 VAL 12 HG12 VAL 12 0.064 -3.472 15.352 86 HG13 VAL 12 HG13 VAL 12 1.568 -3.736 16.238 87 HG21 VAL 12 HG21 VAL 12 2.181 -6.506 15.306 88 HG22 VAL 12 HG22 VAL 12 3.312 -5.156 15.368 89 HG23 VAL 12 HG23 VAL 12 3.083 -6.056 13.866 90 H SER 13 H SER 13 -1.669 -5.004 14.789 91 HA SER 13 HA SER 13 -2.838 -3.298 12.759 92 HG SER 13 HG SER 13 -3.562 -6.085 14.967 93 HB2 SER 13 HB2 SER 13 -4.971 -3.846 14.027 94 HB3 SER 13 HB3 SER 13 -4.218 -5.166 13.131 95 H LEU 14 H LEU 14 -3.574 -1.321 13.254 96 HA LEU 14 HA LEU 14 -2.646 -0.118 15.754 97 HG LEU 14 HG LEU 14 -1.013 2.049 13.148 98 HB2 LEU 14 HB2 LEU 14 -3.209 0.999 13.036 99 HB3 LEU 14 HB3 LEU 14 -3.020 2.028 14.432 100 HD11 LEU 14 HD11 LEU 14 0.592 1.404 14.793 101 HD12 LEU 14 HD12 LEU 14 -0.626 0.417 15.622 102 HD13 LEU 14 HD13 LEU 14 -0.825 2.167 15.519 103 HD21 LEU 14 HD21 LEU 14 -1.241 -0.068 11.963 104 HD22 LEU 14 HD22 LEU 14 -0.944 -0.953 13.459 105 HD23 LEU 14 HD23 LEU 14 0.340 0.030 12.753 106 H THR 15 H THR 15 -4.034 0.796 17.070 107 HA THR 15 HA THR 15 -6.808 0.895 16.251 108 HB THR 15 HB THR 15 -7.173 1.045 18.747 109 HG1 THR 15 HG1 THR 15 -5.129 1.627 19.361 110 HG21 THR 15 HG21 THR 15 -5.818 -1.447 17.698 111 HG22 THR 15 HG22 THR 15 -7.510 -1.029 17.453 112 HG23 THR 15 HG23 THR 15 -6.915 -1.363 19.079 113 H THR 16 H THR 16 -7.405 2.824 15.710 114 HA THR 16 HA THR 16 -6.906 4.976 17.545 115 HB THR 16 HB THR 16 -5.124 5.211 15.782 116 HG1 THR 16 HG1 THR 16 -5.606 7.092 16.625 117 HG21 THR 16 HG21 THR 16 -6.348 4.272 13.869 118 HG22 THR 16 HG22 THR 16 -5.776 5.899 13.500 119 HG23 THR 16 HG23 THR 16 -7.471 5.632 13.910 120 H GLN 17 H GLN 17 -8.348 6.955 16.521 121 HA GLN 17 HA GLN 17 -10.962 5.877 16.759 122 HB2 GLN 17 HB2 GLN 17 -10.386 8.029 17.752 123 HB3 GLN 17 HB3 GLN 17 -10.112 8.714 16.159 124 HG2 GLN 17 HG2 GLN 17 -12.449 8.511 15.629 125 HG3 GLN 17 HG3 GLN 17 -12.751 7.670 17.147 126 HE21 GLN 17 HE21 GLN 17 -11.993 10.723 15.686 127 HE22 GLN 17 HE22 GLN 17 -12.354 11.693 17.042 128 H ARG 18 H ARG 18 -11.649 4.679 15.206 129 HA ARG 18 HA ARG 18 -11.705 5.736 12.496 130 HE ARG 18 HE ARG 18 -10.306 2.794 10.146 131 HB2 ARG 18 HB2 ARG 18 -10.682 3.137 13.457 132 HB3 ARG 18 HB3 ARG 18 -11.465 3.207 11.883 133 HG2 ARG 18 HG2 ARG 18 -9.339 5.150 12.618 134 HG3 ARG 18 HG3 ARG 18 -8.896 3.566 12.000 135 HD2 ARG 18 HD2 ARG 18 -10.747 5.532 10.633 136 HD3 ARG 18 HD3 ARG 18 -9.061 5.267 10.198 137 HH11 ARG 18 HH11 ARG 18 -10.693 5.835 8.326 138 HH12 ARG 18 HH12 ARG 18 -11.130 5.020 6.886 139 HH21 ARG 18 HH21 ARG 18 -10.900 1.749 8.149 140 HH22 ARG 18 HH22 ARG 18 -11.245 2.710 6.784 141 H LEU 19 H LEU 19 -13.334 5.378 11.277 142 HA LEU 19 HA LEU 19 -15.779 4.457 12.481 143 HG LEU 19 HG LEU 19 -15.357 5.146 8.679 144 HB2 LEU 19 HB2 LEU 19 -16.882 5.505 10.569 145 HB3 LEU 19 HB3 LEU 19 -15.766 6.628 11.295 146 HD11 LEU 19 HD11 LEU 19 -17.075 6.847 8.558 147 HD12 LEU 19 HD12 LEU 19 -15.647 7.331 7.642 148 HD13 LEU 19 HD13 LEU 19 -15.965 8.036 9.227 149 HD21 LEU 19 HD21 LEU 19 -13.450 6.691 8.329 150 HD22 LEU 19 HD22 LEU 19 -13.152 5.593 9.654 151 HD23 LEU 19 HD23 LEU 19 -13.610 7.271 9.979 152 HA PRO 20 HA PRO 20 -15.571 0.539 10.555 153 HB2 PRO 20 HB2 PRO 20 -18.199 0.005 10.014 154 HB3 PRO 20 HB3 PRO 20 -17.476 -0.122 11.621 155 HG2 PRO 20 HG2 PRO 20 -19.162 2.033 10.467 156 HG3 PRO 20 HG3 PRO 20 -19.093 1.413 12.122 157 HD2 PRO 20 HD2 PRO 20 -17.918 3.744 11.290 158 HD3 PRO 20 HD3 PRO 20 -17.369 2.799 12.692 159 H VAL 21 H VAL 21 -15.209 -0.284 8.696 160 HA VAL 21 HA VAL 21 -16.318 0.855 6.226 161 HB VAL 21 HB VAL 21 -13.402 0.128 6.749 162 HG11 VAL 21 HG11 VAL 21 -14.068 -0.476 4.468 163 HG12 VAL 21 HG12 VAL 21 -12.955 0.895 4.467 164 HG13 VAL 21 HG13 VAL 21 -14.678 1.160 4.221 165 HG21 VAL 21 HG21 VAL 21 -12.954 2.483 6.307 166 HG22 VAL 21 HG22 VAL 21 -14.028 2.273 7.694 167 HG23 VAL 21 HG23 VAL 21 -14.683 2.778 6.134 168 H SER 22 H SER 22 -16.708 -0.723 4.621 169 HA SER 22 HA SER 22 -16.833 -3.426 5.655 170 HG SER 22 HG SER 22 -18.304 -4.727 4.364 171 HB2 SER 22 HB2 SER 22 -18.841 -2.434 4.653 172 HB3 SER 22 HB3 SER 22 -17.983 -2.206 3.134 173 H ARG 23 H ARG 23 -15.318 -1.665 2.983 174 HA ARG 23 HA ARG 23 -14.214 -4.137 1.937 175 HE ARG 23 HE ARG 23 -13.079 -0.385 -0.726 176 HB2 ARG 23 HB2 ARG 23 -15.180 -2.555 0.396 177 HB3 ARG 23 HB3 ARG 23 -14.042 -1.324 0.921 178 HG2 ARG 23 HG2 ARG 23 -12.198 -2.564 0.027 179 HG3 ARG 23 HG3 ARG 23 -13.249 -3.928 -0.357 180 HD2 ARG 23 HD2 ARG 23 -12.817 -2.620 -2.335 181 HD3 ARG 23 HD3 ARG 23 -14.512 -2.562 -1.813 182 HH11 ARG 23 HH11 ARG 23 -14.606 -1.411 -3.765 183 HH12 ARG 23 HH12 ARG 23 -14.826 0.173 -4.326 184 HH21 ARG 23 HH21 ARG 23 -13.403 1.769 -1.523 185 HH22 ARG 23 HH22 ARG 23 -14.148 2.000 -3.039 186 H ILE 24 H ILE 24 -12.158 -4.732 2.056 187 HA ILE 24 HA ILE 24 -10.397 -3.323 3.892 188 HB ILE 24 HB ILE 24 -10.047 -5.980 2.465 189 HG12 ILE 24 HG12 ILE 24 -11.933 -6.049 4.052 190 HG13 ILE 24 HG13 ILE 24 -10.597 -7.058 4.594 191 HG21 ILE 24 HG21 ILE 24 -8.245 -6.410 4.085 192 HG22 ILE 24 HG22 ILE 24 -8.455 -4.781 4.730 193 HG23 ILE 24 HG23 ILE 24 -7.910 -5.005 3.069 194 HD11 ILE 24 HD11 ILE 24 -11.282 -4.313 5.617 195 HD12 ILE 24 HD12 ILE 24 -9.942 -5.318 6.165 196 HD13 ILE 24 HD13 ILE 24 -11.604 -5.842 6.436 197 H LYS 25 H LYS 25 -9.098 -1.876 3.022 198 HA LYS 25 HA LYS 25 -8.365 -2.177 0.209 199 HB2 LYS 25 HB2 LYS 25 -7.938 0.271 1.976 200 HB3 LYS 25 HB3 LYS 25 -7.616 0.067 0.252 201 HG2 LYS 25 HG2 LYS 25 -10.356 -0.156 1.419 202 HG3 LYS 25 HG3 LYS 25 -9.680 1.330 0.748 203 HD2 LYS 25 HD2 LYS 25 -9.820 -1.264 -0.679 204 HD3 LYS 25 HD3 LYS 25 -11.082 -0.035 -0.867 205 HE2 LYS 25 HE2 LYS 25 -8.129 0.174 -1.641 206 HE3 LYS 25 HE3 LYS 25 -9.491 0.045 -2.737 207 HZ1 LYS 25 HZ1 LYS 25 -8.691 2.331 -2.567 208 HZ2 LYS 25 HZ2 LYS 25 -8.957 2.389 -0.939 209 HZ3 LYS 25 HZ3 LYS 25 -10.257 2.242 -1.980 210 H THR 26 H THR 26 -6.481 -2.798 -0.429 211 HA THR 26 HA THR 26 -4.271 -3.086 1.502 212 HB THR 26 HB THR 26 -3.445 -4.687 -0.227 213 HG1 THR 26 HG1 THR 26 -5.127 -5.418 -1.709 214 HG21 THR 26 HG21 THR 26 -4.661 -5.516 1.733 215 HG22 THR 26 HG22 THR 26 -5.039 -6.487 0.310 216 HG23 THR 26 HG23 THR 26 -6.191 -5.283 0.890 217 H TYR 27 H TYR 27 -2.605 -1.871 1.255 218 HA TYR 27 HA TYR 27 -2.109 -0.717 -1.360 219 HD1 TYR 27 HD1 TYR 27 -2.183 2.071 -2.086 220 HD2 TYR 27 HD2 TYR 27 -4.537 0.853 1.217 221 HE1 TYR 27 HE1 TYR 27 -4.137 3.090 -3.132 222 HE2 TYR 27 HE2 TYR 27 -6.524 1.873 0.198 223 HH TYR 27 HH TYR 27 -6.525 2.909 -3.082 224 HB2 TYR 27 HB2 TYR 27 -2.112 0.734 1.270 225 HB3 TYR 27 HB3 TYR 27 -1.153 1.309 -0.100 226 H THR 28 H THR 28 -0.223 -0.988 -2.109 227 HA THR 28 HA THR 28 1.665 -2.153 -0.249 228 HB THR 28 HB THR 28 2.553 -3.526 -2.142 229 HG1 THR 28 HG1 THR 28 0.329 -2.401 -3.553 230 HG21 THR 28 HG21 THR 28 0.688 -5.078 -2.312 231 HG22 THR 28 HG22 THR 28 -0.432 -3.800 -1.853 232 HG23 THR 28 HG23 THR 28 0.721 -4.401 -0.677 233 H ILE 29 H ILE 29 3.470 -1.137 -0.006 234 HA ILE 29 HA ILE 29 4.295 0.719 -2.096 235 HB ILE 29 HB ILE 29 4.567 1.004 0.892 236 HG12 ILE 29 HG12 ILE 29 3.264 2.680 -1.249 237 HG13 ILE 29 HG13 ILE 29 2.453 1.710 -0.028 238 HG21 ILE 29 HG21 ILE 29 5.889 2.744 -1.204 239 HG22 ILE 29 HG22 ILE 29 6.720 1.639 -0.105 240 HG23 ILE 29 HG23 ILE 29 5.861 3.041 0.535 241 HD11 ILE 29 HD11 ILE 29 2.373 4.036 0.550 242 HD12 ILE 29 HD12 ILE 29 4.132 4.139 0.415 243 HD13 ILE 29 HD13 ILE 29 3.407 3.157 1.686 244 H THR 30 H THR 30 6.067 0.355 -3.022 245 HA THR 30 HA THR 30 7.833 -1.635 -1.905 246 HB THR 30 HB THR 30 7.032 -2.170 -4.100 247 HG1 THR 30 HG1 THR 30 9.105 -2.109 -5.260 248 HG21 THR 30 HG21 THR 30 8.132 0.486 -4.963 249 HG22 THR 30 HG22 THR 30 6.425 0.047 -4.904 250 HG23 THR 30 HG23 THR 30 7.498 -0.744 -6.068 251 H GLU 31 H GLU 31 9.708 -1.085 -1.183 252 HA GLU 31 HA GLU 31 10.963 1.378 -2.036 253 HB2 GLU 31 HB2 GLU 31 9.683 2.083 -0.092 254 HB3 GLU 31 HB3 GLU 31 10.323 0.761 0.861 255 HG2 GLU 31 HG2 GLU 31 11.294 2.997 1.331 256 HG3 GLU 31 HG3 GLU 31 12.478 1.752 0.948 257 H GLY 32 H GLY 32 12.693 0.576 -2.899 258 HA2 GLY 32 HA2 GLY 32 14.789 -0.289 -3.013 259 HA3 GLY 32 HA3 GLY 32 14.709 -0.630 -1.287 260 H SER 33 H SER 33 13.958 -2.555 -0.604 261 HA SER 33 HA SER 33 13.262 -4.563 -2.589 262 HG SER 33 HG SER 33 16.407 -4.869 -0.206 263 HB2 SER 33 HB2 SER 33 14.633 -6.186 -1.234 264 HB3 SER 33 HB3 SER 33 15.560 -4.966 -2.113 265 H LEU 34 H LEU 34 12.119 -2.775 -0.181 266 HA LEU 34 HA LEU 34 11.093 -4.849 1.519 267 HG LEU 34 HG LEU 34 9.308 -2.556 2.703 268 HB2 LEU 34 HB2 LEU 34 12.204 -3.058 2.590 269 HB3 LEU 34 HB3 LEU 34 11.329 -1.872 1.648 270 HD11 LEU 34 HD11 LEU 34 9.423 -3.850 4.865 271 HD12 LEU 34 HD12 LEU 34 11.126 -4.171 4.524 272 HD13 LEU 34 HD13 LEU 34 9.875 -4.816 3.456 273 HD21 LEU 34 HD21 LEU 34 10.525 -0.617 3.441 274 HD22 LEU 34 HD22 LEU 34 11.453 -1.587 4.585 275 HD23 LEU 34 HD23 LEU 34 9.715 -1.368 4.813 276 H ARG 35 H ARG 35 9.002 -5.330 1.500 277 HA ARG 35 HA ARG 35 7.193 -3.707 -0.153 278 HE ARG 35 HE ARG 35 5.277 -5.855 -2.226 279 HB2 ARG 35 HB2 ARG 35 7.011 -6.591 0.718 280 HB3 ARG 35 HB3 ARG 35 5.780 -5.758 -0.227 281 HG2 ARG 35 HG2 ARG 35 8.626 -6.229 -1.108 282 HG3 ARG 35 HG3 ARG 35 7.248 -7.235 -1.560 283 HD2 ARG 35 HD2 ARG 35 7.513 -4.283 -2.167 284 HD3 ARG 35 HD3 ARG 35 7.862 -5.589 -3.293 285 HH11 ARG 35 HH11 ARG 35 7.095 -3.973 -4.644 286 HH12 ARG 35 HH12 ARG 35 5.734 -3.713 -5.624 287 HH21 ARG 35 HH21 ARG 35 3.403 -5.465 -3.672 288 HH22 ARG 35 HH22 ARG 35 3.656 -4.519 -5.064 289 H ALA 36 H ALA 36 6.047 -2.349 1.104 290 HA ALA 36 HA ALA 36 5.292 -3.237 3.788 291 HB1 ALA 36 HB1 ALA 36 4.874 -0.852 4.225 292 HB2 ALA 36 HB2 ALA 36 5.324 -0.472 2.563 293 HB3 ALA 36 HB3 ALA 36 6.529 -1.123 3.671 294 H VAL 37 H VAL 37 3.233 -3.790 4.114 295 HA VAL 37 HA VAL 37 1.288 -2.963 2.066 296 HB VAL 37 HB VAL 37 1.259 -5.545 3.652 297 HG11 VAL 37 HG11 VAL 37 -0.670 -6.154 2.249 298 HG12 VAL 37 HG12 VAL 37 -0.630 -4.557 1.500 299 HG13 VAL 37 HG13 VAL 37 -1.012 -4.720 3.214 300 HG21 VAL 37 HG21 VAL 37 1.584 -6.597 1.485 301 HG22 VAL 37 HG22 VAL 37 2.933 -5.500 1.878 302 HG23 VAL 37 HG23 VAL 37 1.647 -4.991 0.768 303 H ILE 38 H ILE 38 -0.367 -1.887 2.665 304 HA ILE 38 HA ILE 38 -0.987 -1.598 5.490 305 HB ILE 38 HB ILE 38 -1.273 0.146 3.075 306 HG12 ILE 38 HG12 ILE 38 -0.013 0.615 5.757 307 HG13 ILE 38 HG13 ILE 38 0.828 0.194 4.267 308 HG21 ILE 38 HG21 ILE 38 -3.392 0.333 4.178 309 HG22 ILE 38 HG22 ILE 38 -2.439 1.797 4.407 310 HG23 ILE 38 HG23 ILE 38 -2.593 0.627 5.727 311 HD11 ILE 38 HD11 ILE 38 -0.856 2.657 4.595 312 HD12 ILE 38 HD12 ILE 38 0.172 2.155 3.251 313 HD13 ILE 38 HD13 ILE 38 0.902 2.602 4.821 314 H PHE 39 H PHE 39 -2.845 -2.387 6.162 315 HA PHE 39 HA PHE 39 -4.972 -3.000 4.220 316 HD1 PHE 39 HD1 PHE 39 -5.643 -5.969 3.983 317 HD2 PHE 39 HD2 PHE 39 -2.265 -5.141 6.426 318 HE1 PHE 39 HE1 PHE 39 -4.437 -7.834 2.939 319 HE2 PHE 39 HE2 PHE 39 -1.053 -7.000 5.382 320 HZ PHE 39 HZ PHE 39 -2.135 -8.353 3.636 321 HB2 PHE 39 HB2 PHE 39 -4.421 -4.224 6.933 322 HB3 PHE 39 HB3 PHE 39 -5.831 -4.573 5.954 323 H ILE 40 H ILE 40 -6.470 -1.596 4.282 324 HA ILE 40 HA ILE 40 -6.907 0.017 6.664 325 HB ILE 40 HB ILE 40 -8.372 0.070 4.024 326 HG12 ILE 40 HG12 ILE 40 -6.055 0.672 3.445 327 HG13 ILE 40 HG13 ILE 40 -7.018 2.131 3.603 328 HG21 ILE 40 HG21 ILE 40 -9.650 1.086 5.775 329 HG22 ILE 40 HG22 ILE 40 -9.036 2.353 4.707 330 HG23 ILE 40 HG23 ILE 40 -8.270 2.060 6.268 331 HD11 ILE 40 HD11 ILE 40 -6.074 2.699 5.604 332 HD12 ILE 40 HD12 ILE 40 -4.799 2.270 4.472 333 HD13 ILE 40 HD13 ILE 40 -5.230 1.129 5.740 334 H THR 41 H THR 41 -8.265 -0.733 8.173 335 HA THR 41 HA THR 41 -10.376 -2.573 7.286 336 HB THR 41 HB THR 41 -10.221 -3.704 9.462 337 HG1 THR 41 HG1 THR 41 -8.210 -3.139 10.697 338 HG21 THR 41 HG21 THR 41 -7.522 -3.469 8.118 339 HG22 THR 41 HG22 THR 41 -8.816 -4.564 7.640 340 HG23 THR 41 HG23 THR 41 -8.014 -4.773 9.196 341 H LYS 42 H LYS 42 -12.090 -2.746 9.071 342 HA LYS 42 HA LYS 42 -13.339 -0.250 9.538 343 HB2 LYS 42 HB2 LYS 42 -15.088 -1.492 10.665 344 HB3 LYS 42 HB3 LYS 42 -14.602 -2.399 9.254 345 HG2 LYS 42 HG2 LYS 42 -13.735 -3.017 12.094 346 HG3 LYS 42 HG3 LYS 42 -15.052 -3.817 11.249 347 HD2 LYS 42 HD2 LYS 42 -13.463 -4.724 9.623 348 HD3 LYS 42 HD3 LYS 42 -12.150 -3.834 10.402 349 HE2 LYS 42 HE2 LYS 42 -12.132 -6.162 11.055 350 HE3 LYS 42 HE3 LYS 42 -12.464 -5.119 12.427 351 HZ1 LYS 42 HZ1 LYS 42 -14.503 -6.671 10.898 352 HZ2 LYS 42 HZ2 LYS 42 -14.834 -5.658 12.202 353 HZ3 LYS 42 HZ3 LYS 42 -13.929 -7.046 12.443 354 H ARG 43 H ARG 43 -11.062 -2.090 11.242 355 HA ARG 43 HA ARG 43 -11.641 -0.944 13.843 356 HE ARG 43 HE ARG 43 -8.957 -3.205 17.392 357 HB2 ARG 43 HB2 ARG 43 -10.909 -3.307 13.582 358 HB3 ARG 43 HB3 ARG 43 -9.394 -2.734 12.919 359 HG2 ARG 43 HG2 ARG 43 -8.867 -1.642 15.034 360 HG3 ARG 43 HG3 ARG 43 -10.400 -2.209 15.699 361 HD2 ARG 43 HD2 ARG 43 -9.705 -4.516 15.316 362 HD3 ARG 43 HD3 ARG 43 -8.159 -3.943 14.690 363 HH11 ARG 43 HH11 ARG 43 -6.869 -5.120 15.262 364 HH12 ARG 43 HH12 ARG 43 -5.737 -5.504 16.454 365 HH21 ARG 43 HH21 ARG 43 -7.390 -3.851 19.102 366 HH22 ARG 43 HH22 ARG 43 -6.052 -4.810 18.667 367 H GLY 44 H GLY 44 -9.488 -0.651 11.153 368 HA2 GLY 44 HA2 GLY 44 -8.944 1.873 11.200 369 HA3 GLY 44 HA3 GLY 44 -7.894 1.356 12.527 370 H LEU 45 H LEU 45 -5.962 0.667 12.019 371 HA LEU 45 HA LEU 45 -5.333 0.313 9.163 372 HG LEU 45 HG LEU 45 -2.242 0.428 9.821 373 HB2 LEU 45 HB2 LEU 45 -4.489 2.413 9.946 374 HB3 LEU 45 HB3 LEU 45 -3.781 1.690 11.366 375 HD11 LEU 45 HD11 LEU 45 -3.517 0.557 7.810 376 HD12 LEU 45 HD12 LEU 45 -1.923 1.293 7.585 377 HD13 LEU 45 HD13 LEU 45 -3.349 2.315 7.780 378 HD21 LEU 45 HD21 LEU 45 -2.082 3.451 9.855 379 HD22 LEU 45 HD22 LEU 45 -0.773 2.379 9.378 380 HD23 LEU 45 HD23 LEU 45 -1.361 2.334 11.017 381 H LYS 46 H LYS 46 -4.157 -1.504 8.686 382 HA LYS 46 HA LYS 46 -2.611 -2.632 10.852 383 HB2 LYS 46 HB2 LYS 46 -4.600 -4.100 10.577 384 HB3 LYS 46 HB3 LYS 46 -4.168 -4.346 8.890 385 HG2 LYS 46 HG2 LYS 46 -2.076 -5.401 9.536 386 HG3 LYS 46 HG3 LYS 46 -2.425 -5.097 11.234 387 HD2 LYS 46 HD2 LYS 46 -4.373 -6.467 11.073 388 HD3 LYS 46 HD3 LYS 46 -3.988 -6.817 9.356 389 HE2 LYS 46 HE2 LYS 46 -1.860 -7.806 10.136 390 HE3 LYS 46 HE3 LYS 46 -2.352 -7.500 11.800 391 HZ1 LYS 46 HZ1 LYS 46 -4.281 -8.990 11.401 392 HZ2 LYS 46 HZ2 LYS 46 -2.806 -9.774 11.239 393 HZ3 LYS 46 HZ3 LYS 46 -3.664 -9.341 9.870 394 H VAL 47 H VAL 47 -0.721 -3.537 10.246 395 HA VAL 47 HA VAL 47 0.116 -2.756 7.543 396 HB VAL 47 HB VAL 47 0.860 -1.151 9.280 397 HG11 VAL 47 HG11 VAL 47 2.690 -1.809 10.827 398 HG12 VAL 47 HG12 VAL 47 2.427 -3.482 10.350 399 HG13 VAL 47 HG13 VAL 47 1.145 -2.598 11.171 400 HG21 VAL 47 HG21 VAL 47 2.120 -1.351 7.220 401 HG22 VAL 47 HG22 VAL 47 3.051 -2.688 7.897 402 HG23 VAL 47 HG23 VAL 47 3.226 -1.066 8.567 403 H CYS 48 H CYS 48 1.416 -4.121 6.514 404 HA CYS 48 HA CYS 48 2.489 -6.404 7.989 405 HB2 CYS 48 HB2 CYS 48 1.065 -6.406 5.368 406 HB3 CYS 48 HB3 CYS 48 2.299 -7.625 5.697 407 H ALA 49 H ALA 49 4.500 -6.929 7.649 408 HA ALA 49 HA ALA 49 5.943 -5.310 5.663 409 HB1 ALA 49 HB1 ALA 49 6.972 -6.570 8.196 410 HB2 ALA 49 HB2 ALA 49 6.561 -4.876 7.969 411 HB3 ALA 49 HB3 ALA 49 7.907 -5.581 7.067 412 H ASP 50 H ASP 50 6.666 -6.470 3.998 413 HA ASP 50 HA ASP 50 7.461 -9.244 4.429 414 HB2 ASP 50 HB2 ASP 50 5.590 -9.187 2.871 415 HB3 ASP 50 HB3 ASP 50 6.375 -7.970 1.887 416 HA PRO 51 HA PRO 51 11.310 -7.213 3.760 417 HB2 PRO 51 HB2 PRO 51 12.863 -9.042 4.802 418 HB3 PRO 51 HB3 PRO 51 11.744 -8.134 5.824 419 HG2 PRO 51 HG2 PRO 51 11.476 -10.910 4.732 420 HG3 PRO 51 HG3 PRO 51 11.094 -10.309 6.356 421 HD2 PRO 51 HD2 PRO 51 9.234 -10.666 4.352 422 HD3 PRO 51 HD3 PRO 51 9.045 -9.544 5.722 423 H GLN 52 H GLN 52 12.452 -7.071 2.088 424 HA GLN 52 HA GLN 52 13.405 -7.430 0.123 425 HB2 GLN 52 HB2 GLN 52 14.812 -9.481 1.813 426 HB3 GLN 52 HB3 GLN 52 15.442 -8.762 0.328 427 HG2 GLN 52 HG2 GLN 52 15.321 -6.530 1.359 428 HG3 GLN 52 HG3 GLN 52 14.716 -7.236 2.829 429 HE21 GLN 52 HE21 GLN 52 16.101 -8.380 4.160 430 HE22 GLN 52 HE22 GLN 52 17.822 -8.290 3.967 431 H ALA 53 H ALA 53 11.744 -7.998 -1.056 432 HA ALA 53 HA ALA 53 11.156 -10.811 -1.476 433 HB1 ALA 53 HB1 ALA 53 9.300 -9.274 -1.082 434 HB2 ALA 53 HB2 ALA 53 9.191 -9.997 -2.685 435 HB3 ALA 53 HB3 ALA 53 9.764 -8.339 -2.499 436 H THR 54 H THR 54 11.029 -11.696 -3.573 437 HA THR 54 HA THR 54 13.176 -11.061 -5.296 438 HB THR 54 HB THR 54 10.728 -12.785 -5.778 439 HG1 THR 54 HG1 THR 54 13.261 -13.316 -4.612 440 HG21 THR 54 HG21 THR 54 12.158 -13.968 -7.382 441 HG22 THR 54 HG22 THR 54 13.479 -12.847 -7.050 442 HG23 THR 54 HG23 THR 54 12.002 -12.270 -7.824 443 H TRP 55 H TRP 55 9.645 -10.839 -5.590 444 HA TRP 55 HA TRP 55 9.960 -9.032 -7.837 445 HD1 TRP 55 HD1 TRP 55 7.435 -12.712 -6.948 446 HE1 TRP 55 HE1 TRP 55 8.111 -14.333 -8.813 447 HE3 TRP 55 HE3 TRP 55 9.482 -9.365 -10.220 448 HZ2 TRP 55 HZ2 TRP 55 9.359 -14.219 -11.330 449 HZ3 TRP 55 HZ3 TRP 55 10.404 -10.208 -12.337 450 HH2 TRP 55 HH2 TRP 55 10.344 -12.591 -12.878 451 HB2 TRP 55 HB2 TRP 55 7.436 -10.193 -6.628 452 HB3 TRP 55 HB3 TRP 55 7.532 -9.251 -8.109 453 H VAL 56 H VAL 56 10.578 -7.171 -6.986 454 HA VAL 56 HA VAL 56 8.802 -6.085 -4.955 455 HB VAL 56 HB VAL 56 10.956 -6.591 -3.928 456 HG11 VAL 56 HG11 VAL 56 12.184 -4.694 -5.917 457 HG12 VAL 56 HG12 VAL 56 12.423 -6.436 -5.844 458 HG13 VAL 56 HG13 VAL 56 13.017 -5.411 -4.539 459 HG21 VAL 56 HG21 VAL 56 9.706 -4.687 -3.074 460 HG22 VAL 56 HG22 VAL 56 10.509 -3.624 -4.219 461 HG23 VAL 56 HG23 VAL 56 11.428 -4.384 -2.925 462 H ARG 57 H ARG 57 10.829 -5.325 -7.703 463 HA ARG 57 HA ARG 57 10.857 -3.667 -9.205 464 HE ARG 57 HE ARG 57 7.740 -0.623 -11.830 465 HB2 ARG 57 HB2 ARG 57 8.530 -4.358 -9.617 466 HB3 ARG 57 HB3 ARG 57 7.974 -3.272 -8.357 467 HG2 ARG 57 HG2 ARG 57 8.750 -1.359 -9.678 468 HG3 ARG 57 HG3 ARG 57 9.291 -2.467 -10.942 469 HD2 ARG 57 HD2 ARG 57 6.995 -3.275 -11.213 470 HD3 ARG 57 HD3 ARG 57 6.457 -2.165 -9.955 471 HH11 ARG 57 HH11 ARG 57 4.927 -2.765 -11.823 472 HH12 ARG 57 HH12 ARG 57 4.109 -1.902 -13.054 473 HH21 ARG 57 HH21 ARG 57 6.604 0.547 -13.499 474 HH22 ARG 57 HH22 ARG 57 5.083 0.021 -14.018 475 H ASP 58 H ASP 58 12.371 -2.335 -8.334 476 HA ASP 58 HA ASP 58 11.662 -0.426 -6.317 477 HB2 ASP 58 HB2 ASP 58 13.928 -1.286 -6.335 478 HB3 ASP 58 HB3 ASP 58 14.180 -0.710 -7.976 479 H VAL 59 H VAL 59 10.183 0.873 -6.966 480 HA VAL 59 HA VAL 59 10.879 2.788 -9.051 481 HB VAL 59 HB VAL 59 9.419 1.118 -10.133 482 HG11 VAL 59 HG11 VAL 59 8.138 0.368 -8.214 483 HG12 VAL 59 HG12 VAL 59 7.075 0.867 -9.534 484 HG13 VAL 59 HG13 VAL 59 7.319 1.930 -8.157 485 HG21 VAL 59 HG21 VAL 59 9.326 3.393 -10.964 486 HG22 VAL 59 HG22 VAL 59 8.084 3.797 -9.778 487 HG23 VAL 59 HG23 VAL 59 7.732 2.648 -11.069 488 H VAL 60 H VAL 60 9.225 2.030 -6.119 489 HA VAL 60 HA VAL 60 8.521 4.858 -5.793 490 HB VAL 60 HB VAL 60 7.535 2.477 -4.178 491 HG11 VAL 60 HG11 VAL 60 6.668 5.356 -4.126 492 HG12 VAL 60 HG12 VAL 60 7.575 4.517 -2.870 493 HG13 VAL 60 HG13 VAL 60 5.917 4.040 -3.226 494 HG21 VAL 60 HG21 VAL 60 5.362 2.882 -5.269 495 HG22 VAL 60 HG22 VAL 60 6.618 2.399 -6.408 496 HG23 VAL 60 HG23 VAL 60 6.131 4.092 -6.295 497 HA VAL 1 HA VAL 1 -2.274 -8.947 23.404 498 HB VAL 1 HB VAL 1 -0.230 -9.642 22.160 499 H1 VAL 1 H1 VAL 1 -2.660 -6.752 21.487 500 HG11 VAL 1 HG11 VAL 1 -2.321 -10.833 21.792 501 HG12 VAL 1 HG12 VAL 1 -1.393 -10.750 20.296 502 HG13 VAL 1 HG13 VAL 1 -2.773 -9.681 20.534 503 HG21 VAL 1 HG21 VAL 1 0.119 -8.859 19.856 504 HG22 VAL 1 HG22 VAL 1 0.241 -7.525 21.008 505 HG23 VAL 1 HG23 VAL 1 -1.217 -7.723 20.042 506 H GLY 2 H GLY 2 -1.495 -5.763 22.470 507 HA2 GLY 2 HA2 GLY 2 0.662 -5.691 24.472 508 HA3 GLY 2 HA3 GLY 2 0.483 -4.550 23.141 509 H SER 3 H SER 3 -1.493 -3.314 23.132 510 HA SER 3 HA SER 3 -2.796 -2.879 25.691 511 HG SER 3 HG SER 3 -3.068 -0.685 26.359 512 HB2 SER 3 HB2 SER 3 -0.755 -1.448 25.814 513 HB3 SER 3 HB3 SER 3 -1.203 -0.691 24.294 514 H GLU 4 H GLU 4 -2.187 -1.367 22.582 515 HA GLU 4 HA GLU 4 -3.435 -0.420 21.050 516 HB2 GLU 4 HB2 GLU 4 -4.924 -3.038 21.264 517 HB3 GLU 4 HB3 GLU 4 -5.113 -1.896 19.952 518 HG2 GLU 4 HG2 GLU 4 -3.667 -3.578 19.150 519 HG3 GLU 4 HG3 GLU 4 -2.664 -2.183 19.487 520 H VAL 5 H VAL 5 -4.162 1.322 22.147 521 HA VAL 5 HA VAL 5 -6.993 1.242 22.854 522 HB VAL 5 HB VAL 5 -6.639 3.454 23.943 523 HG11 VAL 5 HG11 VAL 5 -6.434 1.452 25.294 524 HG12 VAL 5 HG12 VAL 5 -5.294 2.682 25.842 525 HG13 VAL 5 HG13 VAL 5 -4.726 1.321 24.878 526 HG21 VAL 5 HG21 VAL 5 -4.778 4.279 22.580 527 HG22 VAL 5 HG22 VAL 5 -3.723 3.037 23.254 528 HG23 VAL 5 HG23 VAL 5 -4.356 4.316 24.290 529 H SER 6 H SER 6 -8.443 2.604 21.774 530 HA SER 6 HA SER 6 -7.613 3.297 19.094 531 HG SER 6 HG SER 6 -10.938 4.169 20.674 532 HB2 SER 6 HB2 SER 6 -10.078 3.696 18.817 533 HB3 SER 6 HB3 SER 6 -9.667 2.075 19.382 534 H ASP 7 H ASP 7 -6.557 4.934 21.219 535 HA ASP 7 HA ASP 7 -7.893 7.500 20.707 536 HB2 ASP 7 HB2 ASP 7 -8.223 6.928 23.008 537 HB3 ASP 7 HB3 ASP 7 -6.523 6.525 23.204 538 H LYS 8 H LYS 8 -6.754 8.933 19.660 539 HA LYS 8 HA LYS 8 -5.024 10.181 18.797 540 HB2 LYS 8 HB2 LYS 8 -4.476 10.347 21.304 541 HB3 LYS 8 HB3 LYS 8 -3.407 8.979 21.096 542 HG2 LYS 8 HG2 LYS 8 -1.942 10.291 19.679 543 HG3 LYS 8 HG3 LYS 8 -3.068 11.664 19.723 544 HD2 LYS 8 HD2 LYS 8 -1.588 10.451 22.057 545 HD3 LYS 8 HD3 LYS 8 -1.117 11.922 21.207 546 HE2 LYS 8 HE2 LYS 8 -3.256 12.952 21.896 547 HE3 LYS 8 HE3 LYS 8 -3.662 11.482 22.777 548 HZ1 LYS 8 HZ1 LYS 8 -1.323 13.227 23.323 549 HZ2 LYS 8 HZ2 LYS 8 -1.714 11.831 24.179 550 HZ3 LYS 8 HZ3 LYS 8 -2.726 13.183 24.229 551 H ARG 9 H ARG 9 -2.473 9.784 18.278 552 HA ARG 9 HA ARG 9 -2.909 7.857 16.225 553 HE ARG 9 HE ARG 9 -4.064 12.171 14.627 554 HB2 ARG 9 HB2 ARG 9 -0.787 9.970 16.523 555 HB3 ARG 9 HB3 ARG 9 -0.976 8.908 15.129 556 HG2 ARG 9 HG2 ARG 9 -2.143 10.832 14.382 557 HG3 ARG 9 HG3 ARG 9 -3.360 9.789 15.139 558 HD2 ARG 9 HD2 ARG 9 -3.319 11.072 17.158 559 HD3 ARG 9 HD3 ARG 9 -2.115 12.162 16.451 560 HH11 ARG 9 HH11 ARG 9 -3.975 12.948 18.079 561 HH12 ARG 9 HH12 ARG 9 -5.388 13.879 18.067 562 HH21 ARG 9 HH21 ARG 9 -6.008 13.490 14.601 563 HH22 ARG 9 HH22 ARG 9 -6.570 14.197 16.043 564 H THR 10 H THR 10 -2.272 5.916 16.440 565 HA THR 10 HA THR 10 -0.089 5.299 18.207 566 HB THR 10 HB THR 10 -0.943 2.920 17.783 567 HG1 THR 10 HG1 THR 10 -3.451 3.605 17.223 568 HG21 THR 10 HG21 THR 10 -2.809 3.183 19.372 569 HG22 THR 10 HG22 THR 10 -2.796 4.924 19.090 570 HG23 THR 10 HG23 THR 10 -1.406 4.142 19.847 571 H CYS 11 H CYS 11 1.646 4.018 17.514 572 HA CYS 11 HA CYS 11 1.955 3.659 14.621 573 HB2 CYS 11 HB2 CYS 11 4.029 4.819 16.502 574 HB3 CYS 11 HB3 CYS 11 4.272 4.450 14.804 575 H VAL 12 H VAL 12 3.487 1.997 14.163 576 HA VAL 12 HA VAL 12 4.508 0.409 16.426 577 HB VAL 12 HB VAL 12 2.869 -0.795 14.152 578 HG11 VAL 12 HG11 VAL 12 4.420 -2.215 16.316 579 HG12 VAL 12 HG12 VAL 12 4.817 -2.208 14.598 580 HG13 VAL 12 HG13 VAL 12 3.336 -2.987 15.161 581 HG21 VAL 12 HG21 VAL 12 1.437 -1.647 15.905 582 HG22 VAL 12 HG22 VAL 12 1.563 0.104 16.026 583 HG23 VAL 12 HG23 VAL 12 2.472 -0.923 17.137 584 H SER 13 H SER 13 6.478 -0.474 16.181 585 HA SER 13 HA SER 13 7.755 -0.179 13.595 586 HG SER 13 HG SER 13 9.681 -0.164 17.163 587 HB2 SER 13 HB2 SER 13 9.853 -0.338 14.997 588 HB3 SER 13 HB3 SER 13 8.866 1.087 15.313 589 H LEU 14 H LEU 14 8.263 -1.936 12.533 590 HA LEU 14 HA LEU 14 7.846 -4.580 13.747 591 HG LEU 14 HG LEU 14 5.639 -4.646 10.690 592 HB2 LEU 14 HB2 LEU 14 7.941 -3.770 10.847 593 HB3 LEU 14 HB3 LEU 14 7.737 -5.402 11.417 594 HD11 LEU 14 HD11 LEU 14 5.613 -5.955 12.665 595 HD12 LEU 14 HD12 LEU 14 4.277 -4.795 12.680 596 HD13 LEU 14 HD13 LEU 14 5.717 -4.504 13.663 597 HD21 LEU 14 HD21 LEU 14 6.044 -2.251 10.699 598 HD22 LEU 14 HD22 LEU 14 5.981 -2.234 12.459 599 HD23 LEU 14 HD23 LEU 14 4.526 -2.625 11.532 600 H THR 15 H THR 15 9.626 -5.670 14.256 601 HA THR 15 HA THR 15 12.112 -5.073 12.952 602 HB THR 15 HB THR 15 12.953 -6.938 14.417 603 HG1 THR 15 HG1 THR 15 10.626 -7.764 14.491 604 HG21 THR 15 HG21 THR 15 11.415 -4.744 15.833 605 HG22 THR 15 HG22 THR 15 13.054 -4.609 15.194 606 HG23 THR 15 HG23 THR 15 12.719 -5.698 16.539 607 H THR 16 H THR 16 12.401 -5.885 11.021 608 HA THR 16 HA THR 16 11.834 -8.701 10.575 609 HB THR 16 HB THR 16 9.922 -7.523 9.592 610 HG1 THR 16 HG1 THR 16 10.291 -9.192 8.255 611 HG21 THR 16 HG21 THR 16 10.193 -5.913 7.748 612 HG22 THR 16 HG22 THR 16 11.943 -5.995 7.944 613 HG23 THR 16 HG23 THR 16 10.944 -5.326 9.235 614 H GLN 17 H GLN 17 12.758 -8.940 8.019 615 HA GLN 17 HA GLN 17 15.606 -8.771 8.508 616 HB2 GLN 17 HB2 GLN 17 14.573 -10.840 7.580 617 HB3 GLN 17 HB3 GLN 17 14.149 -9.951 6.124 618 HG2 GLN 17 HG2 GLN 17 16.139 -11.267 5.740 619 HG3 GLN 17 HG3 GLN 17 16.538 -9.549 5.703 620 HE21 GLN 17 HE21 GLN 17 16.835 -12.509 7.475 621 HE22 GLN 17 HE22 GLN 17 18.061 -11.976 8.556 622 H ARG 18 H ARG 18 16.534 -6.933 8.076 623 HA ARG 18 HA ARG 18 15.635 -5.422 5.732 624 HE ARG 18 HE ARG 18 13.755 -1.942 7.001 625 HB2 ARG 18 HB2 ARG 18 16.290 -4.518 8.475 626 HB3 ARG 18 HB3 ARG 18 16.065 -3.417 7.083 627 HG2 ARG 18 HG2 ARG 18 14.010 -5.326 8.187 628 HG3 ARG 18 HG3 ARG 18 14.157 -3.617 8.613 629 HD2 ARG 18 HD2 ARG 18 13.743 -4.624 5.805 630 HD3 ARG 18 HD3 ARG 18 12.450 -4.070 6.863 631 HH11 ARG 18 HH11 ARG 18 13.845 -3.971 4.126 632 HH12 ARG 18 HH12 ARG 18 14.154 -2.684 3.047 633 HH21 ARG 18 HH21 ARG 18 14.179 -0.214 5.599 634 HH22 ARG 18 HH22 ARG 18 14.346 -0.435 3.919 635 H LEU 19 H LEU 19 17.126 -4.513 4.523 636 HA LEU 19 HA LEU 19 19.932 -5.005 5.042 637 HG LEU 19 HG LEU 19 18.816 -2.393 2.477 638 HB2 LEU 19 HB2 LEU 19 20.283 -4.365 2.736 639 HB3 LEU 19 HB3 LEU 19 18.890 -5.405 2.772 640 HD11 LEU 19 HD11 LEU 19 19.771 -3.467 0.545 641 HD12 LEU 19 HD12 LEU 19 18.161 -2.845 0.177 642 HD13 LEU 19 HD13 LEU 19 18.399 -4.571 0.456 643 HD21 LEU 19 HD21 LEU 19 16.449 -2.723 1.849 644 HD22 LEU 19 HD22 LEU 19 16.757 -3.180 3.512 645 HD23 LEU 19 HD23 LEU 19 16.578 -4.430 2.277 646 HA PRO 20 HA PRO 20 20.688 -0.917 6.540 647 HB2 PRO 20 HB2 PRO 20 22.887 -0.084 5.091 648 HB3 PRO 20 HB3 PRO 20 22.970 -1.141 6.500 649 HG2 PRO 20 HG2 PRO 20 23.035 -1.839 3.601 650 HG3 PRO 20 HG3 PRO 20 23.953 -2.544 4.941 651 HD2 PRO 20 HD2 PRO 20 21.793 -3.722 3.851 652 HD3 PRO 20 HD3 PRO 20 22.191 -3.910 5.583 653 H VAL 21 H VAL 21 19.877 0.939 6.177 654 HA VAL 21 HA VAL 21 19.468 2.010 3.466 655 HB VAL 21 HB VAL 21 17.444 2.079 5.754 656 HG11 VAL 21 HG11 VAL 21 17.187 3.128 2.942 657 HG12 VAL 21 HG12 VAL 21 17.345 4.101 4.404 658 HG13 VAL 21 HG13 VAL 21 15.907 3.111 4.156 659 HG21 VAL 21 HG21 VAL 21 16.023 0.677 4.331 660 HG22 VAL 21 HG22 VAL 21 17.536 -0.130 4.732 661 HG23 VAL 21 HG23 VAL 21 17.317 0.584 3.135 662 H SER 22 H SER 22 19.780 4.255 3.366 663 HA SER 22 HA SER 22 21.232 5.302 5.627 664 HG SER 22 HG SER 22 21.416 7.943 4.701 665 HB2 SER 22 HB2 SER 22 22.187 5.548 3.377 666 HB3 SER 22 HB3 SER 22 20.772 6.454 2.862 667 H ARG 23 H ARG 23 18.724 6.706 3.510 668 HA ARG 23 HA ARG 23 17.959 8.381 5.776 669 HE ARG 23 HE ARG 23 16.661 10.306 1.607 670 HB2 ARG 23 HB2 ARG 23 18.614 9.534 3.711 671 HB3 ARG 23 HB3 ARG 23 17.305 8.726 2.858 672 HG2 ARG 23 HG2 ARG 23 15.661 9.853 4.144 673 HG3 ARG 23 HG3 ARG 23 16.888 10.474 5.249 674 HD2 ARG 23 HD2 ARG 23 16.181 12.203 3.771 675 HD3 ARG 23 HD3 ARG 23 17.857 11.727 3.467 676 HH11 ARG 23 HH11 ARG 23 15.938 13.636 2.548 677 HH12 ARG 23 HH12 ARG 23 15.466 14.129 0.986 678 HH21 ARG 23 HH21 ARG 23 15.997 10.964 -0.523 679 HH22 ARG 23 HH22 ARG 23 15.514 12.571 -0.809 680 H ILE 24 H ILE 24 15.936 8.474 6.559 681 HA ILE 24 HA ILE 24 14.336 6.118 6.349 682 HB ILE 24 HB ILE 24 13.776 8.752 7.746 683 HG12 ILE 24 HG12 ILE 24 15.831 7.781 8.612 684 HG13 ILE 24 HG13 ILE 24 14.559 7.634 9.812 685 HG21 ILE 24 HG21 ILE 24 12.458 6.073 8.146 686 HG22 ILE 24 HG22 ILE 24 11.726 7.518 7.444 687 HG23 ILE 24 HG23 ILE 24 12.190 7.504 9.143 688 HD11 ILE 24 HD11 ILE 24 15.569 5.444 8.010 689 HD12 ILE 24 HD12 ILE 24 14.263 5.288 9.182 690 HD13 ILE 24 HD13 ILE 24 15.904 5.628 9.733 691 H LYS 25 H LYS 25 12.502 5.856 5.210 692 HA LYS 25 HA LYS 25 11.793 8.066 3.419 693 HB2 LYS 25 HB2 LYS 25 10.931 5.185 3.193 694 HB3 LYS 25 HB3 LYS 25 10.709 6.461 2.021 695 HG2 LYS 25 HG2 LYS 25 13.320 5.221 2.836 696 HG3 LYS 25 HG3 LYS 25 12.490 5.059 1.286 697 HD2 LYS 25 HD2 LYS 25 12.722 7.526 0.997 698 HD3 LYS 25 HD3 LYS 25 13.705 7.540 2.467 699 HE2 LYS 25 HE2 LYS 25 14.274 6.071 -0.075 700 HE3 LYS 25 HE3 LYS 25 15.101 7.513 0.527 701 HZ1 LYS 25 HZ1 LYS 25 15.807 6.095 2.493 702 HZ2 LYS 25 HZ2 LYS 25 16.415 5.573 0.990 703 HZ3 LYS 25 HZ3 LYS 25 15.122 4.788 1.665 704 H THR 26 H THR 26 9.810 8.914 3.370 705 HA THR 26 HA THR 26 7.821 7.957 5.377 706 HB THR 26 HB THR 26 7.080 10.305 5.451 707 HG1 THR 26 HG1 THR 26 7.743 11.229 3.624 708 HG21 THR 26 HG21 THR 26 10.012 9.969 6.093 709 HG22 THR 26 HG22 THR 26 8.662 9.526 7.139 710 HG23 THR 26 HG23 THR 26 8.954 11.220 6.747 711 H TYR 27 H TYR 27 6.039 7.260 4.600 712 HA TYR 27 HA TYR 27 5.194 8.224 1.979 713 HD1 TYR 27 HD1 TYR 27 5.237 6.833 -0.403 714 HD2 TYR 27 HD2 TYR 27 7.609 5.113 2.644 715 HE1 TYR 27 HE1 TYR 27 7.113 6.754 -1.951 716 HE2 TYR 27 HE2 TYR 27 9.533 5.003 1.117 717 HH TYR 27 HH TYR 27 10.083 5.034 -1.177 718 HB2 TYR 27 HB2 TYR 27 5.251 5.368 2.902 719 HB3 TYR 27 HB3 TYR 27 4.239 5.912 1.563 720 H THR 28 H THR 28 3.220 8.830 1.775 721 HA THR 28 HA THR 28 1.537 8.392 4.111 722 HB THR 28 HB THR 28 0.436 10.593 3.555 723 HG1 THR 28 HG1 THR 28 1.180 11.805 1.943 724 HG21 THR 28 HG21 THR 28 3.418 10.714 4.052 725 HG22 THR 28 HG22 THR 28 2.169 10.545 5.287 726 HG23 THR 28 HG23 THR 28 2.287 12.026 4.350 727 H ILE 29 H ILE 29 -0.411 7.541 3.850 728 HA ILE 29 HA ILE 29 -1.659 7.591 1.210 729 HB ILE 29 HB ILE 29 -1.358 5.162 2.996 730 HG12 ILE 29 HG12 ILE 29 -0.610 5.647 0.110 731 HG13 ILE 29 HG13 ILE 29 0.505 5.630 1.469 732 HG21 ILE 29 HG21 ILE 29 -2.816 3.932 1.432 733 HG22 ILE 29 HG22 ILE 29 -3.141 5.429 0.560 734 HG23 ILE 29 HG23 ILE 29 -3.683 5.245 2.228 735 HD11 ILE 29 HD11 ILE 29 0.549 3.560 0.191 736 HD12 ILE 29 HD12 ILE 29 -1.173 3.312 0.590 737 HD13 ILE 29 HD13 ILE 29 0.041 3.356 1.868 738 H THR 30 H THR 30 -3.658 8.269 1.293 739 HA THR 30 HA THR 30 -4.991 8.221 3.876 740 HB THR 30 HB THR 30 -4.584 10.517 3.134 741 HG1 THR 30 HG1 THR 30 -7.098 10.809 2.548 742 HG21 THR 30 HG21 THR 30 -6.076 9.740 0.632 743 HG22 THR 30 HG22 THR 30 -4.372 10.164 0.743 744 HG23 THR 30 HG23 THR 30 -5.615 11.385 1.052 745 H GLU 31 H GLU 31 -6.958 7.308 3.981 746 HA GLU 31 HA GLU 31 -8.252 6.409 1.543 747 HB2 GLU 31 HB2 GLU 31 -6.827 4.535 2.134 748 HB3 GLU 31 HB3 GLU 31 -7.384 4.586 3.794 749 HG2 GLU 31 HG2 GLU 31 -8.330 2.732 2.447 750 HG3 GLU 31 HG3 GLU 31 -9.537 3.779 3.177 751 H GLY 32 H GLY 32 -10.172 7.188 1.662 752 HA2 GLY 32 HA2 GLY 32 -12.215 7.914 2.442 753 HA3 GLY 32 HA3 GLY 32 -12.029 6.670 3.685 754 H SER 33 H SER 33 -11.728 7.253 5.627 755 HA SER 33 HA SER 33 -10.645 9.902 6.126 756 HG SER 33 HG SER 33 -12.868 10.888 6.098 757 HB2 SER 33 HB2 SER 33 -12.848 8.579 7.745 758 HB3 SER 33 HB3 SER 33 -12.100 10.134 8.108 759 H LEU 34 H LEU 34 -8.688 8.415 6.004 760 HA LEU 34 HA LEU 34 -7.832 7.889 8.665 761 HG LEU 34 HG LEU 34 -5.947 5.689 7.283 762 HB2 LEU 34 HB2 LEU 34 -8.745 5.779 8.162 763 HB3 LEU 34 HB3 LEU 34 -8.162 5.836 6.517 764 HD11 LEU 34 HD11 LEU 34 -5.433 4.935 9.637 765 HD12 LEU 34 HD12 LEU 34 -7.123 5.144 10.053 766 HD13 LEU 34 HD13 LEU 34 -6.148 6.546 9.605 767 HD21 LEU 34 HD21 LEU 34 -7.180 3.760 6.575 768 HD22 LEU 34 HD22 LEU 34 -7.702 3.435 8.218 769 HD23 LEU 34 HD23 LEU 34 -5.988 3.273 7.782 770 H ARG 35 H ARG 35 -5.726 8.374 8.780 771 HA ARG 35 HA ARG 35 -4.210 8.795 6.279 772 HE ARG 35 HE ARG 35 -2.409 11.710 6.435 773 HB2 ARG 35 HB2 ARG 35 -3.983 10.045 8.993 774 HB3 ARG 35 HB3 ARG 35 -2.786 10.306 7.723 775 HG2 ARG 35 HG2 ARG 35 -5.702 11.003 7.568 776 HG3 ARG 35 HG3 ARG 35 -4.429 12.146 8.013 777 HD2 ARG 35 HD2 ARG 35 -4.666 10.671 5.384 778 HD3 ARG 35 HD3 ARG 35 -5.066 12.367 5.655 779 HH11 ARG 35 HH11 ARG 35 -4.401 12.765 3.702 780 HH12 ARG 35 HH12 ARG 35 -3.120 13.326 2.769 781 HH21 ARG 35 HH21 ARG 35 -0.654 12.524 5.238 782 HH22 ARG 35 HH22 ARG 35 -0.884 13.191 3.680 783 H ALA 36 H ALA 36 -2.745 7.148 5.912 784 HA ALA 36 HA ALA 36 -1.533 5.900 8.262 785 HB1 ALA 36 HB1 ALA 36 -2.824 4.376 6.840 786 HB2 ALA 36 HB2 ALA 36 -1.101 3.994 6.784 787 HB3 ALA 36 HB3 ALA 36 -1.859 4.857 5.446 788 H VAL 37 H VAL 37 0.588 6.161 8.539 789 HA VAL 37 HA VAL 37 2.176 7.182 6.271 790 HB VAL 37 HB VAL 37 2.552 7.936 9.199 791 HG11 VAL 37 HG11 VAL 37 4.373 9.387 8.403 792 HG12 VAL 37 HG12 VAL 37 4.155 8.761 6.767 793 HG13 VAL 37 HG13 VAL 37 4.718 7.694 8.054 794 HG21 VAL 37 HG21 VAL 37 0.727 9.152 8.113 795 HG22 VAL 37 HG22 VAL 37 1.845 9.504 6.786 796 HG23 VAL 37 HG23 VAL 37 2.150 10.205 8.372 797 H ILE 38 H ILE 38 3.914 6.090 5.748 798 HA ILE 38 HA ILE 38 4.774 3.918 7.482 799 HB ILE 38 HB ILE 38 4.773 4.331 4.507 800 HG12 ILE 38 HG12 ILE 38 3.630 2.137 6.207 801 HG13 ILE 38 HG13 ILE 38 2.731 3.511 5.565 802 HG21 ILE 38 HG21 ILE 38 6.127 2.071 5.971 803 HG22 ILE 38 HG22 ILE 38 6.938 3.370 5.086 804 HG23 ILE 38 HG23 ILE 38 5.918 2.238 4.222 805 HD11 ILE 38 HD11 ILE 38 2.996 2.866 3.453 806 HD12 ILE 38 HD12 ILE 38 2.510 1.399 4.272 807 HD13 ILE 38 HD13 ILE 38 4.218 1.607 3.782 808 H PHE 39 H PHE 39 6.747 4.022 8.255 809 HA PHE 39 HA PHE 39 8.692 5.896 7.099 810 HD1 PHE 39 HD1 PHE 39 9.300 8.223 8.837 811 HD2 PHE 39 HD2 PHE 39 6.379 5.673 10.582 812 HE1 PHE 39 HE1 PHE 39 8.015 10.195 9.550 813 HE2 PHE 39 HE2 PHE 39 5.087 7.639 11.299 814 HZ PHE 39 HZ PHE 39 5.902 9.903 10.785 815 HB2 PHE 39 HB2 PHE 39 8.502 4.824 9.931 816 HB3 PHE 39 HB3 PHE 39 9.776 5.868 9.326 817 H ILE 40 H ILE 40 10.070 4.866 5.977 818 HA ILE 40 HA ILE 40 10.556 2.031 6.468 819 HB ILE 40 HB ILE 40 11.758 3.834 4.367 820 HG12 ILE 40 HG12 ILE 40 9.360 3.756 3.929 821 HG13 ILE 40 HG13 ILE 40 10.192 2.673 2.818 822 HG21 ILE 40 HG21 ILE 40 12.336 1.755 3.196 823 HG22 ILE 40 HG22 ILE 40 11.720 0.836 4.570 824 HG23 ILE 40 HG23 ILE 40 13.119 1.888 4.773 825 HD11 ILE 40 HD11 ILE 40 9.555 0.793 4.081 826 HD12 ILE 40 HD12 ILE 40 8.152 1.763 3.602 827 HD13 ILE 40 HD13 ILE 40 8.731 1.825 5.264 828 H THR 41 H THR 41 12.030 1.537 7.960 829 HA THR 41 HA THR 41 14.223 3.406 8.321 830 HB THR 41 HB THR 41 14.515 2.385 10.536 831 HG1 THR 41 HG1 THR 41 12.677 0.946 11.187 832 HG21 THR 41 HG21 THR 41 11.644 3.199 10.030 833 HG22 THR 41 HG22 THR 41 12.974 4.302 10.369 834 HG23 THR 41 HG23 THR 41 12.437 3.164 11.604 835 H LYS 42 H LYS 42 16.175 2.170 9.193 836 HA LYS 42 HA LYS 42 16.931 0.249 7.173 837 HB2 LYS 42 HB2 LYS 42 19.202 0.483 7.958 838 HB3 LYS 42 HB3 LYS 42 18.499 2.083 7.842 839 HG2 LYS 42 HG2 LYS 42 18.833 0.518 10.407 840 HG3 LYS 42 HG3 LYS 42 19.940 1.761 9.845 841 HD2 LYS 42 HD2 LYS 42 18.123 3.437 10.035 842 HD3 LYS 42 HD3 LYS 42 17.027 2.149 10.526 843 HE2 LYS 42 HE2 LYS 42 17.791 3.410 12.423 844 HE3 LYS 42 HE3 LYS 42 18.272 1.720 12.482 845 HZ1 LYS 42 HZ1 LYS 42 20.534 2.364 11.823 846 HZ2 LYS 42 HZ2 LYS 42 20.074 3.245 13.164 847 HZ3 LYS 42 HZ3 LYS 42 20.075 3.976 11.672 848 H ARG 43 H ARG 43 15.756 0.137 10.364 849 HA ARG 43 HA ARG 43 16.946 -2.503 10.780 850 HE ARG 43 HE ARG 43 16.497 -3.925 15.516 851 HB2 ARG 43 HB2 ARG 43 17.334 -0.832 12.552 852 HB3 ARG 43 HB3 ARG 43 15.601 -0.650 12.758 853 HG2 ARG 43 HG2 ARG 43 15.430 -2.956 13.512 854 HG3 ARG 43 HG3 ARG 43 17.163 -3.177 13.267 855 HD2 ARG 43 HD2 ARG 43 17.594 -1.425 14.940 856 HD3 ARG 43 HD3 ARG 43 15.859 -1.258 15.198 857 HH11 ARG 43 HH11 ARG 43 17.129 -0.887 17.205 858 HH12 ARG 43 HH12 ARG 43 17.365 -1.615 18.729 859 HH21 ARG 43 HH21 ARG 43 16.813 -4.916 17.537 860 HH22 ARG 43 HH22 ARG 43 17.178 -4.008 18.934 861 H GLY 44 H GLY 44 14.045 -0.917 9.992 862 HA2 GLY 44 HA2 GLY 44 12.638 -3.416 9.721 863 HA3 GLY 44 HA3 GLY 44 12.142 -2.548 11.143 864 H LEU 45 H LEU 45 10.206 -2.095 10.631 865 HA LEU 45 HA LEU 45 9.636 -0.178 8.478 866 HG LEU 45 HG LEU 45 6.508 -0.818 8.883 867 HB2 LEU 45 HB2 LEU 45 8.824 -2.307 7.677 868 HB3 LEU 45 HB3 LEU 45 8.128 -2.704 9.225 869 HD11 LEU 45 HD11 LEU 45 7.589 -0.796 6.092 870 HD12 LEU 45 HD12 LEU 45 7.689 0.498 7.291 871 HD13 LEU 45 HD13 LEU 45 6.120 0.012 6.652 872 HD21 LEU 45 HD21 LEU 45 5.066 -2.055 7.292 873 HD22 LEU 45 HD22 LEU 45 5.755 -3.116 8.509 874 HD23 LEU 45 HD23 LEU 45 6.421 -3.089 6.884 875 H LYS 46 H LYS 46 8.478 1.556 9.364 876 HA LYS 46 HA LYS 46 6.962 0.867 11.718 877 HB2 LYS 46 HB2 LYS 46 8.878 2.065 12.599 878 HB3 LYS 46 HB3 LYS 46 8.620 3.392 11.474 879 HG2 LYS 46 HG2 LYS 46 6.612 4.050 12.572 880 HG3 LYS 46 HG3 LYS 46 6.580 2.573 13.531 881 HD2 LYS 46 HD2 LYS 46 8.459 3.217 14.724 882 HD3 LYS 46 HD3 LYS 46 8.728 4.680 13.727 883 HE2 LYS 46 HE2 LYS 46 6.540 5.507 14.536 884 HE3 LYS 46 HE3 LYS 46 6.368 4.066 15.528 885 HZ1 LYS 46 HZ1 LYS 46 8.491 6.122 15.820 886 HZ2 LYS 46 HZ2 LYS 46 8.325 4.744 16.773 887 HZ3 LYS 46 HZ3 LYS 46 7.156 5.942 16.827 888 H VAL 47 H VAL 47 5.094 1.814 11.987 889 HA VAL 47 HA VAL 47 4.123 3.324 9.682 890 HB VAL 47 HB VAL 47 3.569 0.914 9.461 891 HG11 VAL 47 HG11 VAL 47 1.955 1.384 11.937 892 HG12 VAL 47 HG12 VAL 47 3.301 0.269 11.735 893 HG13 VAL 47 HG13 VAL 47 1.767 -0.018 10.893 894 HG21 VAL 47 HG21 VAL 47 2.192 2.561 8.336 895 HG22 VAL 47 HG22 VAL 47 1.218 2.763 9.792 896 HG23 VAL 47 HG23 VAL 47 1.179 1.232 8.912 897 H CYS 48 H CYS 48 2.608 4.851 10.182 898 HA CYS 48 HA CYS 48 1.692 4.976 12.958 899 HB2 CYS 48 HB2 CYS 48 2.714 7.231 11.257 900 HB3 CYS 48 HB3 CYS 48 1.689 7.502 12.665 901 H ALA 49 H ALA 49 -0.358 5.488 13.328 902 HA ALA 49 HA ALA 49 -2.030 5.836 10.938 903 HB1 ALA 49 HB1 ALA 49 -3.802 4.723 12.175 904 HB2 ALA 49 HB2 ALA 49 -2.716 4.528 13.557 905 HB3 ALA 49 HB3 ALA 49 -2.364 3.715 12.028 906 H ASP 50 H ASP 50 -3.045 7.672 10.826 907 HA ASP 50 HA ASP 50 -3.625 9.152 13.269 908 HB2 ASP 50 HB2 ASP 50 -2.060 10.426 12.001 909 HB3 ASP 50 HB3 ASP 50 -2.914 10.180 10.500 910 HA PRO 51 HA PRO 51 -7.768 8.110 12.271 911 HB2 PRO 51 HB2 PRO 51 -9.016 9.606 14.121 912 HB3 PRO 51 HB3 PRO 51 -8.114 8.145 14.538 913 HG2 PRO 51 HG2 PRO 51 -7.271 11.005 14.741 914 HG3 PRO 51 HG3 PRO 51 -7.044 9.688 15.906 915 HD2 PRO 51 HD2 PRO 51 -5.094 10.506 14.230 916 HD3 PRO 51 HD3 PRO 51 -5.249 8.818 14.769 917 H GLN 52 H GLN 52 -9.000 8.714 10.842 918 HA GLN 52 HA GLN 52 -10.061 9.808 9.257 919 HB2 GLN 52 HB2 GLN 52 -10.889 11.481 11.594 920 HB3 GLN 52 HB3 GLN 52 -11.775 11.297 10.074 921 HG2 GLN 52 HG2 GLN 52 -11.909 8.902 10.433 922 HG3 GLN 52 HG3 GLN 52 -11.055 9.076 11.944 923 HE21 GLN 52 HE21 GLN 52 -12.706 8.247 13.181 924 HE22 GLN 52 HE22 GLN 52 -14.202 9.079 13.448 925 H ALA 53 H ALA 53 -8.977 10.550 7.789 926 HA ALA 53 HA ALA 53 -7.052 12.458 7.700 927 HB1 ALA 53 HB1 ALA 53 -7.388 12.441 5.294 928 HB2 ALA 53 HB2 ALA 53 -8.949 11.649 5.533 929 HB3 ALA 53 HB3 ALA 53 -7.468 10.812 5.978 930 H THR 54 H THR 54 -7.335 14.419 8.545 931 HA THR 54 HA THR 54 -9.514 16.152 8.031 932 HB THR 54 HB THR 54 -6.617 16.867 8.627 933 HG1 THR 54 HG1 THR 54 -8.621 15.726 10.184 934 HG21 THR 54 HG21 THR 54 -8.064 18.764 7.999 935 HG22 THR 54 HG22 THR 54 -7.587 18.855 9.696 936 HG23 THR 54 HG23 THR 54 -9.207 18.306 9.263 937 H TRP 55 H TRP 55 -6.377 15.479 6.627 938 HA TRP 55 HA TRP 55 -7.064 16.948 4.220 939 HD1 TRP 55 HD1 TRP 55 -5.201 19.319 3.897 940 HE1 TRP 55 HE1 TRP 55 -4.682 21.052 5.736 941 HE3 TRP 55 HE3 TRP 55 -4.155 16.114 7.712 942 HZ2 TRP 55 HZ2 TRP 55 -3.920 21.041 8.459 943 HZ3 TRP 55 HZ3 TRP 55 -3.543 17.048 9.904 944 HH2 TRP 55 HH2 TRP 55 -3.430 19.456 10.266 945 HB2 TRP 55 HB2 TRP 55 -4.412 15.846 5.194 946 HB3 TRP 55 HB3 TRP 55 -4.654 16.731 3.691 947 H VAL 56 H VAL 56 -8.188 15.610 2.999 948 HA VAL 56 HA VAL 56 -7.122 12.918 2.622 949 HB VAL 56 HB VAL 56 -9.256 12.683 3.792 950 HG11 VAL 56 HG11 VAL 56 -10.264 14.809 3.206 951 HG12 VAL 56 HG12 VAL 56 -11.366 13.473 2.861 952 HG13 VAL 56 HG13 VAL 56 -10.484 14.255 1.548 953 HG21 VAL 56 HG21 VAL 56 -9.552 11.959 0.875 954 HG22 VAL 56 HG22 VAL 56 -10.497 11.286 2.199 955 HG23 VAL 56 HG23 VAL 56 -8.766 10.982 2.111 956 H ARG 57 H ARG 57 -8.760 15.642 1.063 957 HA ARG 57 HA ARG 57 -8.893 16.363 -1.060 958 HE ARG 57 HE ARG 57 -4.216 18.224 -0.418 959 HB2 ARG 57 HB2 ARG 57 -6.518 14.532 -1.526 960 HB3 ARG 57 HB3 ARG 57 -7.058 15.789 -2.626 961 HG2 ARG 57 HG2 ARG 57 -6.507 17.491 -1.018 962 HG3 ARG 57 HG3 ARG 57 -6.105 16.255 0.180 963 HD2 ARG 57 HD2 ARG 57 -4.320 15.444 -1.270 964 HD3 ARG 57 HD3 ARG 57 -4.692 16.704 -2.447 965 HH11 ARG 57 HH11 ARG 57 -2.473 15.232 -1.215 966 HH12 ARG 57 HH12 ARG 57 -1.001 15.754 -0.534 967 HH21 ARG 57 HH21 ARG 57 -2.166 18.923 0.508 968 HH22 ARG 57 HH22 ARG 57 -0.824 17.873 0.457 969 H ASP 58 H ASP 58 -9.017 15.366 -3.503 970 HA ASP 58 HA ASP 58 -10.526 12.933 -3.085 971 HB2 ASP 58 HB2 ASP 58 -11.861 14.709 -4.163 972 HB3 ASP 58 HB3 ASP 58 -10.711 14.760 -5.499 973 H VAL 59 H VAL 59 -8.504 12.030 -2.819 974 HA VAL 59 HA VAL 59 -7.376 11.129 -5.384 975 HB VAL 59 HB VAL 59 -5.788 12.318 -3.856 976 HG11 VAL 59 HG11 VAL 59 -4.998 11.248 -1.813 977 HG12 VAL 59 HG12 VAL 59 -6.270 10.039 -1.979 978 HG13 VAL 59 HG13 VAL 59 -6.694 11.733 -1.733 979 HG21 VAL 59 HG21 VAL 59 -5.133 9.401 -4.282 980 HG22 VAL 59 HG22 VAL 59 -3.956 10.664 -3.916 981 HG23 VAL 59 HG23 VAL 59 -4.866 10.717 -5.424 982 H VAL 60 H VAL 60 -9.455 10.371 -3.002 983 HA VAL 60 HA VAL 60 -8.897 7.506 -3.018 984 HB VAL 60 HB VAL 60 -10.890 9.034 -1.308 985 HG11 VAL 60 HG11 VAL 60 -11.460 6.702 -1.608 986 HG12 VAL 60 HG12 VAL 60 -10.960 7.009 0.055 987 HG13 VAL 60 HG13 VAL 60 -9.855 6.218 -1.066 988 HG21 VAL 60 HG21 VAL 60 -8.632 9.759 -0.741 989 HG22 VAL 60 HG22 VAL 60 -8.116 8.084 -0.562 990 HG23 VAL 60 HG23 VAL 60 -9.300 8.767 0.553 Start of MODEL 8 1 HA VAL 1 HA VAL 1 10.226 -8.157 17.788 2 HB VAL 1 HB VAL 1 8.257 -7.025 19.815 3 H1 VAL 1 H1 VAL 1 9.385 -9.283 20.365 4 H2 VAL 1 H2 VAL 1 10.552 -9.876 19.293 5 H3 VAL 1 H3 VAL 1 8.920 -9.883 18.847 6 HG11 VAL 1 HG11 VAL 1 9.579 -5.274 18.768 7 HG12 VAL 1 HG12 VAL 1 7.918 -5.230 18.180 8 HG13 VAL 1 HG13 VAL 1 9.196 -5.910 17.168 9 HG21 VAL 1 HG21 VAL 1 7.247 -8.821 18.505 10 HG22 VAL 1 HG22 VAL 1 7.781 -8.051 17.015 11 HG23 VAL 1 HG23 VAL 1 6.581 -7.258 18.033 12 H GLY 2 H GLY 2 12.304 -7.820 18.205 13 HA2 GLY 2 HA2 GLY 2 13.256 -5.635 19.416 14 HA3 GLY 2 HA3 GLY 2 13.157 -6.773 20.750 15 H SER 3 H SER 3 14.553 -8.501 20.858 16 HA SER 3 HA SER 3 17.042 -8.011 19.582 17 HG SER 3 HG SER 3 16.014 -11.021 21.486 18 HB2 SER 3 HB2 SER 3 17.776 -9.870 21.100 19 HB3 SER 3 HB3 SER 3 17.065 -8.463 21.893 20 H GLU 4 H GLU 4 14.440 -9.823 18.502 21 HA GLU 4 HA GLU 4 16.102 -11.972 17.562 22 HB2 GLU 4 HB2 GLU 4 14.117 -13.035 16.615 23 HB3 GLU 4 HB3 GLU 4 13.816 -12.570 18.269 24 HG2 GLU 4 HG2 GLU 4 12.783 -11.201 15.786 25 HG3 GLU 4 HG3 GLU 4 11.862 -12.207 16.891 26 H VAL 5 H VAL 5 17.492 -11.416 16.153 27 HA VAL 5 HA VAL 5 16.730 -9.683 13.969 28 HB VAL 5 HB VAL 5 19.165 -9.761 13.304 29 HG11 VAL 5 HG11 VAL 5 18.291 -7.963 14.690 30 HG12 VAL 5 HG12 VAL 5 19.933 -8.372 15.182 31 HG13 VAL 5 HG13 VAL 5 18.564 -8.927 16.143 32 HG21 VAL 5 HG21 VAL 5 19.480 -11.276 15.911 33 HG22 VAL 5 HG22 VAL 5 20.793 -10.661 14.910 34 HG23 VAL 5 HG23 VAL 5 19.744 -11.938 14.298 35 H SER 6 H SER 6 15.704 -10.532 12.363 36 HA SER 6 HA SER 6 16.860 -12.570 10.764 37 HG SER 6 HG SER 6 15.727 -14.744 10.354 38 HB2 SER 6 HB2 SER 6 15.927 -13.994 12.556 39 HB3 SER 6 HB3 SER 6 14.352 -13.240 12.351 40 H ASP 7 H ASP 7 15.700 -12.802 8.810 41 HA ASP 7 HA ASP 7 14.000 -10.616 8.051 42 HB2 ASP 7 HB2 ASP 7 15.633 -11.480 6.465 43 HB3 ASP 7 HB3 ASP 7 14.959 -13.098 6.601 44 H LYS 8 H LYS 8 11.860 -10.652 8.455 45 HA LYS 8 HA LYS 8 10.345 -13.100 8.225 46 HB2 LYS 8 HB2 LYS 8 9.457 -12.908 10.523 47 HB3 LYS 8 HB3 LYS 8 11.153 -13.369 10.481 48 HG2 LYS 8 HG2 LYS 8 11.789 -11.069 11.026 49 HG3 LYS 8 HG3 LYS 8 10.091 -10.604 11.046 50 HD2 LYS 8 HD2 LYS 8 11.353 -12.655 12.870 51 HD3 LYS 8 HD3 LYS 8 11.024 -10.984 13.314 52 HE2 LYS 8 HE2 LYS 8 8.610 -11.395 12.871 53 HE3 LYS 8 HE3 LYS 8 8.986 -13.082 12.541 54 HZ1 LYS 8 HZ1 LYS 8 8.191 -12.764 14.775 55 HZ2 LYS 8 HZ2 LYS 8 9.421 -11.689 15.132 56 HZ3 LYS 8 HZ3 LYS 8 9.774 -13.316 14.818 57 H ARG 9 H ARG 9 8.097 -12.731 8.433 58 HA ARG 9 HA ARG 9 7.485 -10.016 7.677 59 HE ARG 9 HE ARG 9 6.481 -13.433 4.570 60 HB2 ARG 9 HB2 ARG 9 5.368 -10.884 6.806 61 HB3 ARG 9 HB3 ARG 9 6.800 -11.421 5.985 62 HG2 ARG 9 HG2 ARG 9 6.661 -13.563 7.047 63 HG3 ARG 9 HG3 ARG 9 5.245 -13.020 7.974 64 HD2 ARG 9 HD2 ARG 9 4.471 -14.216 5.981 65 HD3 ARG 9 HD3 ARG 9 4.142 -12.461 5.988 66 HH11 ARG 9 HH11 ARG 9 3.231 -12.019 4.411 67 HH12 ARG 9 HH12 ARG 9 3.427 -11.351 2.856 68 HH21 ARG 9 HH21 ARG 9 6.758 -12.515 2.432 69 HH22 ARG 9 HH22 ARG 9 5.521 -11.619 1.704 70 H THR 10 H THR 10 7.302 -8.933 9.389 71 HA THR 10 HA THR 10 5.622 -9.737 11.558 72 HB THR 10 HB THR 10 6.268 -7.373 12.232 73 HG1 THR 10 HG1 THR 10 6.900 -6.822 10.083 74 HG21 THR 10 HG21 THR 10 8.517 -8.110 12.976 75 HG22 THR 10 HG22 THR 10 8.428 -9.457 11.843 76 HG23 THR 10 HG23 THR 10 7.316 -9.380 13.209 77 H CYS 11 H CYS 11 3.434 -9.313 11.468 78 HA CYS 11 HA CYS 11 2.654 -6.874 10.069 79 HB2 CYS 11 HB2 CYS 11 1.184 -9.546 9.900 80 HB3 CYS 11 HB3 CYS 11 0.770 -8.069 9.030 81 H VAL 12 H VAL 12 0.763 -5.883 11.057 82 HA VAL 12 HA VAL 12 -0.307 -6.990 13.576 83 HB VAL 12 HB VAL 12 1.004 -4.236 13.545 84 HG11 VAL 12 HG11 VAL 12 -0.097 -5.803 15.860 85 HG12 VAL 12 HG12 VAL 12 -0.806 -4.368 15.125 86 HG13 VAL 12 HG13 VAL 12 0.735 -4.253 15.977 87 HG21 VAL 12 HG21 VAL 12 2.104 -6.751 14.799 88 HG22 VAL 12 HG22 VAL 12 2.763 -5.131 15.033 89 HG23 VAL 12 HG23 VAL 12 2.788 -5.875 13.433 90 H SER 13 H SER 13 -2.268 -5.943 14.272 91 HA SER 13 HA SER 13 -3.267 -3.912 12.437 92 HG SER 13 HG SER 13 -4.193 -6.536 14.473 93 HB2 SER 13 HB2 SER 13 -5.585 -4.809 12.829 94 HB3 SER 13 HB3 SER 13 -4.530 -5.939 11.990 95 H LEU 14 H LEU 14 -3.868 -2.063 13.318 96 HA LEU 14 HA LEU 14 -3.616 -1.805 16.223 97 HG LEU 14 HG LEU 14 -1.394 -1.315 14.346 98 HB2 LEU 14 HB2 LEU 14 -3.356 0.184 13.981 99 HB3 LEU 14 HB3 LEU 14 -3.273 0.636 15.657 100 HD11 LEU 14 HD11 LEU 14 -1.030 1.579 15.087 101 HD12 LEU 14 HD12 LEU 14 -1.167 0.946 13.453 102 HD13 LEU 14 HD13 LEU 14 0.221 0.507 14.454 103 HD21 LEU 14 HD21 LEU 14 -0.119 -0.990 16.424 104 HD22 LEU 14 HD22 LEU 14 -1.703 -1.694 16.713 105 HD23 LEU 14 HD23 LEU 14 -1.433 0.012 17.046 106 H THR 15 H THR 15 -5.336 -1.532 17.399 107 HA THR 15 HA THR 15 -7.796 -0.759 16.200 108 HB THR 15 HB THR 15 -8.570 -1.016 18.625 109 HG1 THR 15 HG1 THR 15 -6.938 -1.158 19.958 110 HG21 THR 15 HG21 THR 15 -7.350 -3.383 17.195 111 HG22 THR 15 HG22 THR 15 -8.946 -2.702 16.884 112 HG23 THR 15 HG23 THR 15 -8.603 -3.466 18.437 113 H THR 16 H THR 16 -8.198 1.232 15.911 114 HA THR 16 HA THR 16 -7.896 3.080 18.080 115 HB THR 16 HB THR 16 -5.803 3.401 16.898 116 HG1 THR 16 HG1 THR 16 -6.029 5.370 17.278 117 HG21 THR 16 HG21 THR 16 -6.377 2.518 14.699 118 HG22 THR 16 HG22 THR 16 -5.719 4.154 14.546 119 HG23 THR 16 HG23 THR 16 -7.451 3.889 14.416 120 H GLN 17 H GLN 17 -9.025 5.214 17.335 121 HA GLN 17 HA GLN 17 -11.645 4.265 16.614 122 HB2 GLN 17 HB2 GLN 17 -11.456 5.666 18.606 123 HB3 GLN 17 HB3 GLN 17 -10.751 6.957 17.652 124 HG2 GLN 17 HG2 GLN 17 -12.825 7.294 16.480 125 HG3 GLN 17 HG3 GLN 17 -13.539 5.890 17.282 126 HE21 GLN 17 HE21 GLN 17 -14.135 6.044 19.406 127 HE22 GLN 17 HE22 GLN 17 -14.284 7.534 20.239 128 H ARG 18 H ARG 18 -11.916 4.049 14.595 129 HA ARG 18 HA ARG 18 -11.393 6.323 12.838 130 HE ARG 18 HE ARG 18 -6.770 5.781 11.912 131 HB2 ARG 18 HB2 ARG 18 -11.023 3.403 12.320 132 HB3 ARG 18 HB3 ARG 18 -10.943 4.646 11.031 133 HG2 ARG 18 HG2 ARG 18 -9.121 4.204 13.385 134 HG3 ARG 18 HG3 ARG 18 -8.741 3.934 11.678 135 HD2 ARG 18 HD2 ARG 18 -8.971 6.298 11.245 136 HD3 ARG 18 HD3 ARG 18 -9.396 6.596 12.932 137 HH11 ARG 18 HH11 ARG 18 -8.768 7.012 14.600 138 HH12 ARG 18 HH12 ARG 18 -7.451 7.507 15.540 139 HH21 ARG 18 HH21 ARG 18 -4.906 6.540 13.260 140 HH22 ARG 18 HH22 ARG 18 -5.238 7.274 14.751 141 H LEU 19 H LEU 19 -12.915 6.604 11.159 142 HA LEU 19 HA LEU 19 -15.536 5.830 11.943 143 HG LEU 19 HG LEU 19 -16.148 8.393 11.850 144 HB2 LEU 19 HB2 LEU 19 -14.533 7.339 9.513 145 HB3 LEU 19 HB3 LEU 19 -16.226 7.003 9.790 146 HD11 LEU 19 HD11 LEU 19 -13.821 8.153 12.447 147 HD12 LEU 19 HD12 LEU 19 -14.248 9.854 12.279 148 HD13 LEU 19 HD13 LEU 19 -13.339 9.044 11.008 149 HD21 LEU 19 HD21 LEU 19 -16.854 9.388 9.748 150 HD22 LEU 19 HD22 LEU 19 -15.181 9.798 9.367 151 HD23 LEU 19 HD23 LEU 19 -15.985 10.558 10.739 152 HA PRO 20 HA PRO 20 -15.585 1.958 10.140 153 HB2 PRO 20 HB2 PRO 20 -18.261 1.598 9.738 154 HB3 PRO 20 HB3 PRO 20 -17.461 1.476 11.311 155 HG2 PRO 20 HG2 PRO 20 -18.984 3.752 10.128 156 HG3 PRO 20 HG3 PRO 20 -18.996 3.139 11.792 157 HD2 PRO 20 HD2 PRO 20 -17.610 5.334 11.030 158 HD3 PRO 20 HD3 PRO 20 -17.050 4.261 12.341 159 H VAL 21 H VAL 21 -15.243 1.120 8.351 160 HA VAL 21 HA VAL 21 -16.646 1.936 5.954 161 HB VAL 21 HB VAL 21 -14.400 2.982 5.881 162 HG11 VAL 21 HG11 VAL 21 -13.165 1.494 7.333 163 HG12 VAL 21 HG12 VAL 21 -12.350 1.634 5.776 164 HG13 VAL 21 HG13 VAL 21 -13.294 0.193 6.150 165 HG21 VAL 21 HG21 VAL 21 -13.622 2.063 3.731 166 HG22 VAL 21 HG22 VAL 21 -15.378 2.259 3.782 167 HG23 VAL 21 HG23 VAL 21 -14.662 0.663 3.973 168 H SER 22 H SER 22 -17.364 0.204 4.776 169 HA SER 22 HA SER 22 -16.966 -2.389 6.008 170 HG SER 22 HG SER 22 -19.032 -1.590 6.555 171 HB2 SER 22 HB2 SER 22 -18.797 -1.525 3.764 172 HB3 SER 22 HB3 SER 22 -18.835 -3.092 4.575 173 H ARG 23 H ARG 23 -15.810 -0.605 3.374 174 HA ARG 23 HA ARG 23 -15.013 -2.940 1.838 175 HE ARG 23 HE ARG 23 -13.420 -1.988 -2.590 176 HB2 ARG 23 HB2 ARG 23 -15.900 -0.948 0.679 177 HB3 ARG 23 HB3 ARG 23 -14.621 0.026 1.370 178 HG2 ARG 23 HG2 ARG 23 -14.181 -0.488 -0.961 179 HG3 ARG 23 HG3 ARG 23 -12.973 -1.224 0.088 180 HD2 ARG 23 HD2 ARG 23 -14.046 -3.365 -0.112 181 HD3 ARG 23 HD3 ARG 23 -15.359 -2.665 -1.061 182 HH11 ARG 23 HH11 ARG 23 -13.652 -5.070 -0.846 183 HH12 ARG 23 HH12 ARG 23 -12.773 -5.949 -1.998 184 HH21 ARG 23 HH21 ARG 23 -12.223 -3.217 -4.191 185 HH22 ARG 23 HH22 ARG 23 -11.946 -4.866 -3.956 186 H ILE 24 H ILE 24 -12.968 -3.756 1.891 187 HA ILE 24 HA ILE 24 -11.087 -2.547 3.775 188 HB ILE 24 HB ILE 24 -11.103 -5.300 2.495 189 HG12 ILE 24 HG12 ILE 24 -12.965 -5.050 4.058 190 HG13 ILE 24 HG13 ILE 24 -11.765 -6.151 4.718 191 HG21 ILE 24 HG21 ILE 24 -9.370 -5.901 4.136 192 HG22 ILE 24 HG22 ILE 24 -9.335 -4.228 4.689 193 HG23 ILE 24 HG23 ILE 24 -8.839 -4.622 3.043 194 HD11 ILE 24 HD11 ILE 24 -12.167 -3.266 5.501 195 HD12 ILE 24 HD12 ILE 24 -10.942 -4.348 6.167 196 HD13 ILE 24 HD13 ILE 24 -12.653 -4.685 6.426 197 H LYS 25 H LYS 25 -9.158 -1.762 3.110 198 HA LYS 25 HA LYS 25 -8.613 -2.032 0.255 199 HB2 LYS 25 HB2 LYS 25 -7.912 0.298 2.043 200 HB3 LYS 25 HB3 LYS 25 -7.185 0.057 0.469 201 HG2 LYS 25 HG2 LYS 25 -8.930 1.631 0.246 202 HG3 LYS 25 HG3 LYS 25 -9.465 0.136 -0.517 203 HD2 LYS 25 HD2 LYS 25 -10.679 -0.365 1.635 204 HD3 LYS 25 HD3 LYS 25 -10.291 1.285 2.135 205 HE2 LYS 25 HE2 LYS 25 -11.759 0.475 -0.325 206 HE3 LYS 25 HE3 LYS 25 -12.527 1.119 1.134 207 HZ1 LYS 25 HZ1 LYS 25 -12.271 2.791 -0.591 208 HZ2 LYS 25 HZ2 LYS 25 -10.618 2.546 -0.658 209 HZ3 LYS 25 HZ3 LYS 25 -11.313 3.210 0.732 210 H THR 26 H THR 26 -6.590 -2.259 -0.473 211 HA THR 26 HA THR 26 -4.482 -3.117 1.438 212 HB THR 26 HB THR 26 -5.224 -4.401 -1.216 213 HG1 THR 26 HG1 THR 26 -6.265 -4.710 1.185 214 HG21 THR 26 HG21 THR 26 -2.818 -4.512 -0.667 215 HG22 THR 26 HG22 THR 26 -3.568 -6.106 -0.567 216 HG23 THR 26 HG23 THR 26 -3.213 -5.205 0.907 217 H TYR 27 H TYR 27 -2.740 -1.998 1.159 218 HA TYR 27 HA TYR 27 -2.179 -0.941 -1.484 219 HD1 TYR 27 HD1 TYR 27 -2.142 1.633 -2.395 220 HD2 TYR 27 HD2 TYR 27 -4.375 1.146 1.175 221 HE1 TYR 27 HE1 TYR 27 -3.994 2.853 -3.420 222 HE2 TYR 27 HE2 TYR 27 -6.260 2.371 0.174 223 HH TYR 27 HH TYR 27 -6.480 2.910 -3.108 224 HB2 TYR 27 HB2 TYR 27 -2.059 0.583 1.098 225 HB3 TYR 27 HB3 TYR 27 -1.065 1.046 -0.281 226 H THR 28 H THR 28 -0.296 -1.290 -2.232 227 HA THR 28 HA THR 28 1.583 -2.562 -0.422 228 HB THR 28 HB THR 28 2.395 -3.772 -2.471 229 HG1 THR 28 HG1 THR 28 1.187 -1.990 -3.765 230 HG21 THR 28 HG21 THR 28 0.476 -5.299 -2.658 231 HG22 THR 28 HG22 THR 28 -0.553 -4.097 -1.881 232 HG23 THR 28 HG23 THR 28 0.756 -4.853 -0.981 233 H ILE 29 H ILE 29 3.447 -1.564 -0.186 234 HA ILE 29 HA ILE 29 4.316 0.380 -2.218 235 HB ILE 29 HB ILE 29 4.547 0.513 0.797 236 HG12 ILE 29 HG12 ILE 29 3.274 2.343 -1.244 237 HG13 ILE 29 HG13 ILE 29 2.433 1.259 -0.151 238 HG21 ILE 29 HG21 ILE 29 5.900 2.402 -1.147 239 HG22 ILE 29 HG22 ILE 29 6.719 1.215 -0.130 240 HG23 ILE 29 HG23 ILE 29 5.861 2.566 0.601 241 HD11 ILE 29 HD11 ILE 29 2.291 3.514 0.632 242 HD12 ILE 29 HD12 ILE 29 4.061 3.656 0.619 243 HD13 ILE 29 HD13 ILE 29 3.277 2.525 1.716 244 H THR 30 H THR 30 6.425 0.291 -2.877 245 HA THR 30 HA THR 30 8.027 -1.875 -1.727 246 HB THR 30 HB THR 30 7.176 -2.503 -3.975 247 HG1 THR 30 HG1 THR 30 9.069 -3.131 -4.795 248 HG21 THR 30 HG21 THR 30 8.641 -0.050 -4.925 249 HG22 THR 30 HG22 THR 30 6.897 -0.297 -4.969 250 HG23 THR 30 HG23 THR 30 7.954 -1.286 -5.984 251 H GLU 31 H GLU 31 9.895 -1.309 -0.991 252 HA GLU 31 HA GLU 31 11.149 1.093 -1.998 253 HB2 GLU 31 HB2 GLU 31 9.846 1.793 -0.020 254 HB3 GLU 31 HB3 GLU 31 10.615 0.548 0.938 255 HG2 GLU 31 HG2 GLU 31 11.467 2.852 1.289 256 HG3 GLU 31 HG3 GLU 31 12.701 1.664 0.862 257 H GLY 32 H GLY 32 12.763 0.066 -2.941 258 HA2 GLY 32 HA2 GLY 32 14.763 -1.057 -3.114 259 HA3 GLY 32 HA3 GLY 32 14.782 -1.159 -1.357 260 H SER 33 H SER 33 14.771 -3.085 -0.633 261 HA SER 33 HA SER 33 13.606 -5.212 -2.250 262 HG SER 33 HG SER 33 15.814 -4.733 -2.508 263 HB2 SER 33 HB2 SER 33 15.506 -5.305 0.085 264 HB3 SER 33 HB3 SER 33 15.006 -6.677 -0.913 265 H LEU 34 H LEU 34 12.553 -3.153 0.077 266 HA LEU 34 HA LEU 34 11.267 -5.078 1.768 267 HG LEU 34 HG LEU 34 9.667 -2.517 2.804 268 HB2 LEU 34 HB2 LEU 34 12.479 -3.396 2.894 269 HB3 LEU 34 HB3 LEU 34 11.824 -2.137 1.869 270 HD11 LEU 34 HD11 LEU 34 9.439 -3.796 4.950 271 HD12 LEU 34 HD12 LEU 34 11.099 -4.357 4.747 272 HD13 LEU 34 HD13 LEU 34 9.859 -4.826 3.583 273 HD21 LEU 34 HD21 LEU 34 11.061 -0.757 3.629 274 HD22 LEU 34 HD22 LEU 34 11.814 -1.834 4.800 275 HD23 LEU 34 HD23 LEU 34 10.109 -1.403 4.966 276 H ARG 35 H ARG 35 9.141 -5.407 1.575 277 HA ARG 35 HA ARG 35 7.583 -3.623 -0.155 278 HE ARG 35 HE ARG 35 4.261 -5.876 -2.917 279 HB2 ARG 35 HB2 ARG 35 8.094 -5.779 -1.153 280 HB3 ARG 35 HB3 ARG 35 7.476 -6.641 0.214 281 HG2 ARG 35 HG2 ARG 35 5.885 -6.786 -1.567 282 HG3 ARG 35 HG3 ARG 35 5.207 -5.679 -0.374 283 HD2 ARG 35 HD2 ARG 35 5.750 -3.786 -1.704 284 HD3 ARG 35 HD3 ARG 35 6.761 -4.753 -2.777 285 HH11 ARG 35 HH11 ARG 35 5.487 -2.626 -3.577 286 HH12 ARG 35 HH12 ARG 35 4.476 -2.368 -4.921 287 HH21 ARG 35 HH21 ARG 35 2.884 -5.522 -4.709 288 HH22 ARG 35 HH22 ARG 35 2.904 -4.059 -5.567 289 H ALA 36 H ALA 36 5.976 -2.643 0.971 290 HA ALA 36 HA ALA 36 5.176 -3.794 3.571 291 HB1 ALA 36 HB1 ALA 36 4.659 -1.514 4.281 292 HB2 ALA 36 HB2 ALA 36 5.142 -0.904 2.697 293 HB3 ALA 36 HB3 ALA 36 6.338 -1.646 3.761 294 H VAL 37 H VAL 37 2.986 -4.031 4.036 295 HA VAL 37 HA VAL 37 1.137 -3.173 1.931 296 HB VAL 37 HB VAL 37 0.955 -5.775 3.492 297 HG11 VAL 37 HG11 VAL 37 -0.985 -6.252 2.067 298 HG12 VAL 37 HG12 VAL 37 -0.842 -4.652 1.343 299 HG13 VAL 37 HG13 VAL 37 -1.248 -4.812 3.052 300 HG21 VAL 37 HG21 VAL 37 1.136 -6.779 1.220 301 HG22 VAL 37 HG22 VAL 37 2.624 -5.935 1.750 302 HG23 VAL 37 HG23 VAL 37 1.489 -5.140 0.660 303 H ILE 38 H ILE 38 -0.546 -2.033 2.562 304 HA ILE 38 HA ILE 38 -1.116 -1.744 5.384 305 HB ILE 38 HB ILE 38 -1.444 -0.034 2.948 306 HG12 ILE 38 HG12 ILE 38 -0.089 0.514 5.575 307 HG13 ILE 38 HG13 ILE 38 0.719 -0.046 4.114 308 HG21 ILE 38 HG21 ILE 38 -3.515 0.184 4.146 309 HG22 ILE 38 HG22 ILE 38 -2.559 1.654 4.333 310 HG23 ILE 38 HG23 ILE 38 -2.649 0.480 5.651 311 HD11 ILE 38 HD11 ILE 38 -0.869 2.490 4.236 312 HD12 ILE 38 HD12 ILE 38 0.200 1.869 2.976 313 HD13 ILE 38 HD13 ILE 38 0.867 2.408 4.555 314 H PHE 39 H PHE 39 -2.938 -2.621 6.037 315 HA PHE 39 HA PHE 39 -5.087 -3.090 4.097 316 HD1 PHE 39 HD1 PHE 39 -5.736 -5.839 3.497 317 HD2 PHE 39 HD2 PHE 39 -2.489 -5.622 6.238 318 HE1 PHE 39 HE1 PHE 39 -4.585 -7.643 2.275 319 HE2 PHE 39 HE2 PHE 39 -1.337 -7.422 5.024 320 HZ PHE 39 HZ PHE 39 -2.391 -8.437 3.039 321 HB2 PHE 39 HB2 PHE 39 -4.501 -4.525 6.700 322 HB3 PHE 39 HB3 PHE 39 -5.956 -4.773 5.748 323 H ILE 40 H ILE 40 -6.638 -1.812 4.265 324 HA ILE 40 HA ILE 40 -6.878 -0.094 6.596 325 HB ILE 40 HB ILE 40 -8.378 -0.101 3.986 326 HG12 ILE 40 HG12 ILE 40 -6.112 0.629 3.476 327 HG13 ILE 40 HG13 ILE 40 -7.152 2.038 3.596 328 HG21 ILE 40 HG21 ILE 40 -9.809 0.825 5.626 329 HG22 ILE 40 HG22 ILE 40 -9.178 2.150 4.633 330 HG23 ILE 40 HG23 ILE 40 -8.503 1.844 6.233 331 HD11 ILE 40 HD11 ILE 40 -6.248 2.604 5.753 332 HD12 ILE 40 HD12 ILE 40 -4.960 2.342 4.558 333 HD13 ILE 40 HD13 ILE 40 -5.289 1.106 5.740 334 H THR 41 H THR 41 -8.225 -0.546 8.192 335 HA THR 41 HA THR 41 -10.518 -2.272 7.623 336 HB THR 41 HB THR 41 -10.253 -3.263 9.885 337 HG1 THR 41 HG1 THR 41 -8.151 -1.413 10.014 338 HG21 THR 41 HG21 THR 41 -7.748 -3.503 8.205 339 HG22 THR 41 HG22 THR 41 -9.228 -4.426 7.971 340 HG23 THR 41 HG23 THR 41 -8.271 -4.650 9.436 341 H LYS 42 H LYS 42 -12.241 -1.978 9.282 342 HA LYS 42 HA LYS 42 -12.823 0.798 9.652 343 HB2 LYS 42 HB2 LYS 42 -14.907 0.134 10.639 344 HB3 LYS 42 HB3 LYS 42 -14.585 -0.999 9.338 345 HG2 LYS 42 HG2 LYS 42 -14.117 -1.531 12.282 346 HG3 LYS 42 HG3 LYS 42 -15.513 -2.060 11.350 347 HD2 LYS 42 HD2 LYS 42 -14.149 -3.499 10.006 348 HD3 LYS 42 HD3 LYS 42 -12.680 -2.810 10.702 349 HE2 LYS 42 HE2 LYS 42 -13.185 -5.010 11.630 350 HE3 LYS 42 HE3 LYS 42 -13.189 -3.725 12.828 351 HZ1 LYS 42 HZ1 LYS 42 -15.688 -4.829 11.595 352 HZ2 LYS 42 HZ2 LYS 42 -15.556 -3.726 12.863 353 HZ3 LYS 42 HZ3 LYS 42 -15.043 -5.296 13.084 354 H ARG 43 H ARG 43 -11.157 -1.519 11.564 355 HA ARG 43 HA ARG 43 -11.690 -0.078 14.049 356 HE ARG 43 HE ARG 43 -7.888 -4.759 13.809 357 HB2 ARG 43 HB2 ARG 43 -10.717 -1.924 15.233 358 HB3 ARG 43 HB3 ARG 43 -11.846 -2.561 14.054 359 HG2 ARG 43 HG2 ARG 43 -9.950 -3.156 12.589 360 HG3 ARG 43 HG3 ARG 43 -8.833 -2.546 13.816 361 HD2 ARG 43 HD2 ARG 43 -9.863 -4.168 15.428 362 HD3 ARG 43 HD3 ARG 43 -10.771 -4.835 14.077 363 HH11 ARG 43 HH11 ARG 43 -10.764 -6.729 14.498 364 HH12 ARG 43 HH12 ARG 43 -9.928 -8.210 14.456 365 HH21 ARG 43 HH21 ARG 43 -6.711 -6.871 13.823 366 HH22 ARG 43 HH22 ARG 43 -7.603 -8.287 14.056 367 H GLY 44 H GLY 44 -9.676 0.276 11.589 368 HA2 GLY 44 HA2 GLY 44 -8.046 2.120 12.308 369 HA3 GLY 44 HA3 GLY 44 -7.369 0.832 13.287 370 H LEU 45 H LEU 45 -5.478 0.586 12.401 371 HA LEU 45 HA LEU 45 -5.282 0.290 9.473 372 HG LEU 45 HG LEU 45 -2.180 0.175 9.582 373 HB2 LEU 45 HB2 LEU 45 -4.203 2.278 10.311 374 HB3 LEU 45 HB3 LEU 45 -3.315 1.329 11.488 375 HD11 LEU 45 HD11 LEU 45 -3.766 0.567 7.835 376 HD12 LEU 45 HD12 LEU 45 -2.205 1.282 7.410 377 HD13 LEU 45 HD13 LEU 45 -3.523 2.309 7.964 378 HD21 LEU 45 HD21 LEU 45 -1.810 3.168 9.725 379 HD22 LEU 45 HD22 LEU 45 -0.654 2.011 9.097 380 HD23 LEU 45 HD23 LEU 45 -1.061 1.998 10.810 381 H LYS 46 H LYS 46 -4.473 -1.625 8.756 382 HA LYS 46 HA LYS 46 -2.837 -3.051 10.657 383 HB2 LYS 46 HB2 LYS 46 -4.677 -4.487 10.298 384 HB3 LYS 46 HB3 LYS 46 -4.678 -4.223 8.563 385 HG2 LYS 46 HG2 LYS 46 -2.596 -5.444 8.331 386 HG3 LYS 46 HG3 LYS 46 -2.440 -5.576 10.074 387 HD2 LYS 46 HD2 LYS 46 -4.190 -6.993 10.242 388 HD3 LYS 46 HD3 LYS 46 -4.748 -6.751 8.549 389 HE2 LYS 46 HE2 LYS 46 -2.547 -7.770 7.866 390 HE3 LYS 46 HE3 LYS 46 -2.224 -8.094 9.567 391 HZ1 LYS 46 HZ1 LYS 46 -4.469 -9.232 7.973 392 HZ2 LYS 46 HZ2 LYS 46 -4.217 -9.499 9.599 393 HZ3 LYS 46 HZ3 LYS 46 -3.087 -10.050 8.481 394 H VAL 47 H VAL 47 -0.998 -3.783 10.101 395 HA VAL 47 HA VAL 47 0.089 -2.864 7.538 396 HB VAL 47 HB VAL 47 0.846 -1.423 9.397 397 HG11 VAL 47 HG11 VAL 47 2.383 -2.358 11.138 398 HG12 VAL 47 HG12 VAL 47 1.977 -3.972 10.560 399 HG13 VAL 47 HG13 VAL 47 0.727 -2.950 11.257 400 HG21 VAL 47 HG21 VAL 47 2.333 -1.743 7.499 401 HG22 VAL 47 HG22 VAL 47 3.013 -3.187 8.251 402 HG23 VAL 47 HG23 VAL 47 3.279 -1.607 8.985 403 H CYS 48 H CYS 48 1.370 -4.321 6.528 404 HA CYS 48 HA CYS 48 2.209 -6.628 8.072 405 HB2 CYS 48 HB2 CYS 48 0.077 -7.137 6.802 406 HB3 CYS 48 HB3 CYS 48 0.970 -6.837 5.319 407 H ALA 49 H ALA 49 4.205 -7.403 7.399 408 HA ALA 49 HA ALA 49 5.506 -5.599 5.486 409 HB1 ALA 49 HB1 ALA 49 6.705 -7.157 7.766 410 HB2 ALA 49 HB2 ALA 49 6.353 -5.434 7.752 411 HB3 ALA 49 HB3 ALA 49 7.582 -6.090 6.668 412 H ASP 50 H ASP 50 6.144 -6.553 3.657 413 HA ASP 50 HA ASP 50 6.489 -9.446 3.555 414 HB2 ASP 50 HB2 ASP 50 4.941 -8.408 1.920 415 HB3 ASP 50 HB3 ASP 50 6.220 -7.379 1.330 416 HA PRO 51 HA PRO 51 10.713 -7.900 4.021 417 HB2 PRO 51 HB2 PRO 51 11.739 -10.130 4.977 418 HB3 PRO 51 HB3 PRO 51 10.606 -9.184 5.951 419 HG2 PRO 51 HG2 PRO 51 10.100 -11.620 4.298 420 HG3 PRO 51 HG3 PRO 51 9.600 -11.289 5.970 421 HD2 PRO 51 HD2 PRO 51 7.928 -10.930 3.875 422 HD3 PRO 51 HD3 PRO 51 7.920 -9.893 5.332 423 H GLN 52 H GLN 52 12.080 -7.596 2.545 424 HA GLN 52 HA GLN 52 13.374 -7.821 0.756 425 HB2 GLN 52 HB2 GLN 52 14.315 -10.122 2.444 426 HB3 GLN 52 HB3 GLN 52 15.259 -9.290 1.217 427 HG2 GLN 52 HG2 GLN 52 15.126 -7.243 2.591 428 HG3 GLN 52 HG3 GLN 52 14.209 -8.122 3.786 429 HE21 GLN 52 HE21 GLN 52 15.191 -9.840 4.909 430 HE22 GLN 52 HE22 GLN 52 16.911 -9.930 5.080 431 H ALA 53 H ALA 53 14.000 -11.092 1.113 432 HA ALA 53 HA ALA 53 12.418 -12.699 -0.179 433 HB1 ALA 53 HB1 ALA 53 12.433 -11.296 -2.229 434 HB2 ALA 53 HB2 ALA 53 13.360 -12.771 -2.510 435 HB3 ALA 53 HB3 ALA 53 14.197 -11.253 -2.190 436 H THR 54 H THR 54 13.890 -14.608 -0.907 437 HA THR 54 HA THR 54 16.151 -14.761 0.773 438 HB THR 54 HB THR 54 15.508 -16.482 -1.655 439 HG1 THR 54 HG1 THR 54 14.702 -16.632 1.061 440 HG21 THR 54 HG21 THR 54 17.089 -17.079 0.865 441 HG22 THR 54 HG22 THR 54 17.776 -16.814 -0.736 442 HG23 THR 54 HG23 THR 54 16.758 -18.220 -0.438 443 H TRP 55 H TRP 55 15.610 -13.808 -2.539 444 HA TRP 55 HA TRP 55 18.418 -13.077 -2.818 445 HD1 TRP 55 HD1 TRP 55 20.027 -15.205 -4.059 446 HE1 TRP 55 HE1 TRP 55 19.968 -17.754 -3.648 447 HE3 TRP 55 HE3 TRP 55 15.010 -15.932 -4.449 448 HZ2 TRP 55 HZ2 TRP 55 18.018 -19.798 -3.507 449 HZ3 TRP 55 HZ3 TRP 55 14.112 -18.200 -4.161 450 HH2 TRP 55 HH2 TRP 55 15.585 -20.095 -3.699 451 HB2 TRP 55 HB2 TRP 55 16.538 -14.026 -4.984 452 HB3 TRP 55 HB3 TRP 55 18.226 -13.573 -5.192 453 H VAL 56 H VAL 56 18.441 -10.875 -2.739 454 HA VAL 56 HA VAL 56 16.179 -9.438 -3.940 455 HB VAL 56 HB VAL 56 16.780 -7.476 -2.601 456 HG11 VAL 56 HG11 VAL 56 15.267 -9.024 -1.594 457 HG12 VAL 56 HG12 VAL 56 16.312 -8.308 -0.371 458 HG13 VAL 56 HG13 VAL 56 16.606 -9.962 -0.925 459 HG21 VAL 56 HG21 VAL 56 19.022 -9.162 -1.462 460 HG22 VAL 56 HG22 VAL 56 18.551 -7.549 -0.912 461 HG23 VAL 56 HG23 VAL 56 19.209 -7.772 -2.533 462 H ARG 57 H ARG 57 16.711 -7.451 -5.152 463 HA ARG 57 HA ARG 57 19.353 -7.586 -6.390 464 HE ARG 57 HE ARG 57 15.926 -7.008 -9.538 465 HB2 ARG 57 HB2 ARG 57 17.720 -8.896 -7.707 466 HB3 ARG 57 HB3 ARG 57 16.669 -7.497 -7.793 467 HG2 ARG 57 HG2 ARG 57 18.384 -6.333 -9.103 468 HG3 ARG 57 HG3 ARG 57 19.400 -7.773 -9.030 469 HD2 ARG 57 HD2 ARG 57 18.166 -7.631 -11.130 470 HD3 ARG 57 HD3 ARG 57 17.686 -9.053 -10.197 471 HH11 ARG 57 HH11 ARG 57 16.800 -8.794 -12.467 472 HH12 ARG 57 HH12 ARG 57 15.257 -8.675 -13.149 473 HH21 ARG 57 HH21 ARG 57 13.826 -6.842 -10.458 474 HH22 ARG 57 HH22 ARG 57 13.494 -7.538 -11.971 475 H ASP 58 H ASP 58 19.578 -5.524 -7.823 476 HA ASP 58 HA ASP 58 19.237 -3.166 -6.383 477 HB2 ASP 58 HB2 ASP 58 19.454 -3.465 -9.389 478 HB3 ASP 58 HB3 ASP 58 19.610 -1.943 -8.533 479 H VAL 59 H VAL 59 17.298 -4.338 -9.060 480 HA VAL 59 HA VAL 59 15.150 -2.565 -8.169 481 HB VAL 59 HB VAL 59 15.342 -4.126 -10.773 482 HG11 VAL 59 HG11 VAL 59 13.033 -3.765 -10.080 483 HG12 VAL 59 HG12 VAL 59 13.420 -2.780 -11.492 484 HG13 VAL 59 HG13 VAL 59 13.342 -2.039 -9.892 485 HG21 VAL 59 HG21 VAL 59 15.712 -1.945 -11.835 486 HG22 VAL 59 HG22 VAL 59 16.990 -2.317 -10.676 487 HG23 VAL 59 HG23 VAL 59 15.716 -1.172 -10.252 488 H VAL 60 H VAL 60 14.219 -3.566 -6.549 489 HA VAL 60 HA VAL 60 13.052 -5.005 -5.288 490 HB VAL 60 HB VAL 60 11.895 -5.885 -7.952 491 HG11 VAL 60 HG11 VAL 60 9.934 -6.577 -6.649 492 HG12 VAL 60 HG12 VAL 60 10.768 -6.132 -5.160 493 HG13 VAL 60 HG13 VAL 60 11.377 -7.456 -6.146 494 HG21 VAL 60 HG21 VAL 60 10.118 -4.248 -7.466 495 HG22 VAL 60 HG22 VAL 60 11.696 -3.474 -7.614 496 HG23 VAL 60 HG23 VAL 60 10.986 -3.741 -6.021 497 HA VAL 1 HA VAL 1 -2.537 -4.505 21.679 498 HB VAL 1 HB VAL 1 -3.593 -2.848 19.358 499 H1 VAL 1 H1 VAL 1 -4.942 -4.701 22.140 500 HG11 VAL 1 HG11 VAL 1 -1.230 -2.539 18.762 501 HG12 VAL 1 HG12 VAL 1 -0.757 -3.426 20.210 502 HG13 VAL 1 HG13 VAL 1 -1.588 -1.880 20.360 503 HG21 VAL 1 HG21 VAL 1 -3.750 -5.234 18.887 504 HG22 VAL 1 HG22 VAL 1 -2.056 -5.446 19.333 505 HG23 VAL 1 HG23 VAL 1 -2.481 -4.493 17.911 506 H GLY 2 H GLY 2 -5.011 -2.094 20.961 507 HA2 GLY 2 HA2 GLY 2 -4.203 -0.629 23.360 508 HA3 GLY 2 HA3 GLY 2 -4.405 0.216 21.829 509 H SER 3 H SER 3 -5.905 -0.286 24.611 510 HA SER 3 HA SER 3 -8.517 -0.902 23.594 511 HG SER 3 HG SER 3 -7.466 0.342 27.053 512 HB2 SER 3 HB2 SER 3 -9.057 -0.646 26.066 513 HB3 SER 3 HB3 SER 3 -7.973 -1.965 25.606 514 H GLU 4 H GLU 4 -6.673 1.860 24.532 515 HA GLU 4 HA GLU 4 -9.013 3.484 24.807 516 HB2 GLU 4 HB2 GLU 4 -7.500 5.351 25.365 517 HB3 GLU 4 HB3 GLU 4 -7.192 3.948 26.353 518 HG2 GLU 4 HG2 GLU 4 -5.511 4.966 24.059 519 HG3 GLU 4 HG3 GLU 4 -5.118 5.027 25.770 520 H VAL 5 H VAL 5 -10.030 3.584 22.986 521 HA VAL 5 HA VAL 5 -8.599 4.437 20.622 522 HB VAL 5 HB VAL 5 -10.689 3.880 19.356 523 HG11 VAL 5 HG11 VAL 5 -10.525 1.450 19.618 524 HG12 VAL 5 HG12 VAL 5 -9.648 1.679 21.129 525 HG13 VAL 5 HG13 VAL 5 -8.933 2.211 19.611 526 HG21 VAL 5 HG21 VAL 5 -12.327 4.263 21.141 527 HG22 VAL 5 HG22 VAL 5 -11.680 2.889 22.036 528 HG23 VAL 5 HG23 VAL 5 -12.482 2.632 20.486 529 H SER 6 H SER 6 -8.433 6.485 20.207 530 HA SER 6 HA SER 6 -10.690 8.289 20.429 531 HG SER 6 HG SER 6 -10.392 7.599 22.693 532 HB2 SER 6 HB2 SER 6 -8.082 8.785 21.908 533 HB3 SER 6 HB3 SER 6 -9.453 9.885 21.830 534 H ASP 7 H ASP 7 -9.446 10.617 19.904 535 HA ASP 7 HA ASP 7 -8.268 10.431 17.337 536 HB2 ASP 7 HB2 ASP 7 -9.440 12.465 18.038 537 HB3 ASP 7 HB3 ASP 7 -8.322 12.683 19.374 538 H LYS 8 H LYS 8 -6.426 9.273 17.245 539 HA LYS 8 HA LYS 8 -4.025 10.297 18.436 540 HB2 LYS 8 HB2 LYS 8 -3.472 8.293 19.715 541 HB3 LYS 8 HB3 LYS 8 -4.912 9.063 20.365 542 HG2 LYS 8 HG2 LYS 8 -6.306 7.390 19.196 543 HG3 LYS 8 HG3 LYS 8 -4.842 6.605 18.610 544 HD2 LYS 8 HD2 LYS 8 -5.592 6.969 21.513 545 HD3 LYS 8 HD3 LYS 8 -5.799 5.486 20.591 546 HE2 LYS 8 HE2 LYS 8 -3.385 5.331 20.261 547 HE3 LYS 8 HE3 LYS 8 -3.160 6.851 21.124 548 HZ1 LYS 8 HZ1 LYS 8 -4.036 5.837 23.098 549 HZ2 LYS 8 HZ2 LYS 8 -2.723 4.945 22.522 550 HZ3 LYS 8 HZ3 LYS 8 -4.288 4.363 22.309 551 H ARG 9 H ARG 9 -2.190 9.135 17.768 552 HA ARG 9 HA ARG 9 -2.668 7.552 15.369 553 HE ARG 9 HE ARG 9 -0.416 11.210 14.365 554 HB2 ARG 9 HB2 ARG 9 -0.403 8.163 14.674 555 HB3 ARG 9 HB3 ARG 9 -1.517 9.509 14.750 556 HG2 ARG 9 HG2 ARG 9 -0.505 10.324 16.724 557 HG3 ARG 9 HG3 ARG 9 0.458 8.859 16.903 558 HD2 ARG 9 HD2 ARG 9 1.826 10.623 15.902 559 HD3 ARG 9 HD3 ARG 9 1.476 9.222 14.850 560 HH11 ARG 9 HH11 ARG 9 3.055 10.682 13.803 561 HH12 ARG 9 HH12 ARG 9 3.096 11.477 12.314 562 HH21 ARG 9 HH21 ARG 9 -0.385 12.278 12.253 563 HH22 ARG 9 HH22 ARG 9 1.095 12.424 11.415 564 H THR 10 H THR 10 -2.450 5.444 15.628 565 HA THR 10 HA THR 10 -0.766 4.497 17.707 566 HB THR 10 HB THR 10 -1.751 2.311 16.848 567 HG1 THR 10 HG1 THR 10 -2.341 2.943 14.799 568 HG21 THR 10 HG21 THR 10 -3.959 2.740 17.851 569 HG22 THR 10 HG22 THR 10 -3.670 4.476 17.737 570 HG23 THR 10 HG23 THR 10 -2.674 3.485 18.803 571 H CYS 11 H CYS 11 1.273 3.936 17.268 572 HA CYS 11 HA CYS 11 1.992 3.390 14.472 573 HB2 CYS 11 HB2 CYS 11 3.663 4.790 16.578 574 HB3 CYS 11 HB3 CYS 11 4.186 4.359 14.958 575 H VAL 12 H VAL 12 3.485 1.792 14.201 576 HA VAL 12 HA VAL 12 4.636 0.475 16.559 577 HB VAL 12 HB VAL 12 3.207 -1.118 14.381 578 HG11 VAL 12 HG11 VAL 12 4.708 -2.102 16.810 579 HG12 VAL 12 HG12 VAL 12 5.232 -2.258 15.134 580 HG13 VAL 12 HG13 VAL 12 3.792 -3.112 15.690 581 HG21 VAL 12 HG21 VAL 12 1.744 -1.907 16.156 582 HG22 VAL 12 HG22 VAL 12 1.668 -0.143 16.001 583 HG23 VAL 12 HG23 VAL 12 2.581 -0.874 17.317 584 H SER 13 H SER 13 6.674 -0.063 16.340 585 HA SER 13 HA SER 13 7.806 -0.050 13.669 586 HG SER 13 HG SER 13 8.401 1.195 17.048 587 HB2 SER 13 HB2 SER 13 9.993 0.279 14.950 588 HB3 SER 13 HB3 SER 13 8.866 1.635 15.010 589 H LEU 14 H LEU 14 8.519 -1.866 12.891 590 HA LEU 14 HA LEU 14 8.300 -4.275 14.536 591 HG LEU 14 HG LEU 14 6.281 -3.028 12.574 592 HB2 LEU 14 HB2 LEU 14 8.391 -3.877 11.565 593 HB3 LEU 14 HB3 LEU 14 8.128 -5.404 12.388 594 HD11 LEU 14 HD11 LEU 14 4.795 -4.345 11.144 595 HD12 LEU 14 HD12 LEU 14 6.061 -5.570 10.998 596 HD13 LEU 14 HD13 LEU 14 6.328 -3.961 10.341 597 HD21 LEU 14 HD21 LEU 14 4.748 -4.685 13.582 598 HD22 LEU 14 HD22 LEU 14 6.217 -4.440 14.534 599 HD23 LEU 14 HD23 LEU 14 6.066 -5.869 13.535 600 H THR 15 H THR 15 9.980 -5.684 14.773 601 HA THR 15 HA THR 15 12.537 -4.746 13.853 602 HB THR 15 HB THR 15 13.337 -6.496 15.498 603 HG1 THR 15 HG1 THR 15 11.874 -7.718 16.293 604 HG21 THR 15 HG21 THR 15 11.628 -4.257 16.566 605 HG22 THR 15 HG22 THR 15 13.300 -4.081 16.018 606 HG23 THR 15 HG23 THR 15 12.926 -5.058 17.442 607 H THR 16 H THR 16 13.138 -5.540 12.040 608 HA THR 16 HA THR 16 13.601 -8.312 11.807 609 HB THR 16 HB THR 16 11.337 -8.291 10.829 610 HG1 THR 16 HG1 THR 16 13.012 -9.552 9.868 611 HG21 THR 16 HG21 THR 16 10.818 -7.000 8.792 612 HG22 THR 16 HG22 THR 16 12.392 -6.218 8.890 613 HG23 THR 16 HG23 THR 16 11.190 -5.936 10.152 614 H GLN 17 H GLN 17 14.997 -8.679 9.809 615 HA GLN 17 HA GLN 17 16.981 -6.645 9.976 616 HB2 GLN 17 HB2 GLN 17 17.703 -8.968 10.180 617 HB3 GLN 17 HB3 GLN 17 17.091 -9.308 8.564 618 HG2 GLN 17 HG2 GLN 17 18.713 -7.869 7.567 619 HG3 GLN 17 HG3 GLN 17 19.237 -7.295 9.146 620 HE21 GLN 17 HE21 GLN 17 20.505 -8.599 10.404 621 HE22 GLN 17 HE22 GLN 17 21.301 -10.004 9.795 622 H ARG 18 H ARG 18 16.829 -5.060 8.854 623 HA ARG 18 HA ARG 18 15.791 -5.158 6.120 624 HE ARG 18 HE ARG 18 14.557 -6.040 6.694 625 HB2 ARG 18 HB2 ARG 18 15.858 -3.171 8.250 626 HB3 ARG 18 HB3 ARG 18 15.396 -2.705 6.562 627 HG2 ARG 18 HG2 ARG 18 14.000 -4.406 8.648 628 HG3 ARG 18 HG3 ARG 18 13.473 -2.850 8.001 629 HD2 ARG 18 HD2 ARG 18 12.105 -4.546 7.044 630 HD3 ARG 18 HD3 ARG 18 13.199 -3.987 5.782 631 HH11 ARG 18 HH11 ARG 18 11.114 -5.870 6.070 632 HH12 ARG 18 HH12 ARG 18 10.961 -7.527 5.714 633 HH21 ARG 18 HH21 ARG 18 14.438 -8.156 6.208 634 HH22 ARG 18 HH22 ARG 18 13.047 -8.967 5.742 635 H LEU 19 H LEU 19 16.779 -3.916 4.580 636 HA LEU 19 HA LEU 19 19.624 -3.948 4.749 637 HG LEU 19 HG LEU 19 19.042 -5.495 2.651 638 HB2 LEU 19 HB2 LEU 19 17.837 -2.741 2.619 639 HB3 LEU 19 HB3 LEU 19 19.552 -3.008 2.471 640 HD11 LEU 19 HD11 LEU 19 16.215 -4.561 2.144 641 HD12 LEU 19 HD12 LEU 19 16.791 -5.431 3.563 642 HD13 LEU 19 HD13 LEU 19 16.794 -6.213 1.993 643 HD21 LEU 19 HD21 LEU 19 19.653 -4.438 0.561 644 HD22 LEU 19 HD22 LEU 19 17.976 -3.956 0.296 645 HD23 LEU 19 HD23 LEU 19 18.413 -5.664 0.294 646 HA PRO 20 HA PRO 20 20.084 0.116 6.361 647 HB2 PRO 20 HB2 PRO 20 22.501 0.804 5.260 648 HB3 PRO 20 HB3 PRO 20 22.327 -0.261 6.655 649 HG2 PRO 20 HG2 PRO 20 22.770 -0.957 3.792 650 HG3 PRO 20 HG3 PRO 20 23.473 -1.690 5.244 651 HD2 PRO 20 HD2 PRO 20 21.417 -2.787 3.862 652 HD3 PRO 20 HD3 PRO 20 21.606 -2.999 5.624 653 H VAL 21 H VAL 21 19.388 1.991 5.763 654 HA VAL 21 HA VAL 21 19.557 2.819 2.982 655 HB VAL 21 HB VAL 21 17.286 1.891 3.399 656 HG11 VAL 21 HG11 VAL 21 16.989 4.034 5.479 657 HG12 VAL 21 HG12 VAL 21 17.043 2.292 5.754 658 HG13 VAL 21 HG13 VAL 21 15.694 3.002 4.871 659 HG21 VAL 21 HG21 VAL 21 15.965 3.801 2.600 660 HG22 VAL 21 HG22 VAL 21 17.505 3.647 1.753 661 HG23 VAL 21 HG23 VAL 21 17.306 4.874 3.004 662 H SER 22 H SER 22 19.899 5.016 2.730 663 HA SER 22 HA SER 22 21.024 6.220 5.103 664 HG SER 22 HG SER 22 22.147 5.108 3.188 665 HB2 SER 22 HB2 SER 22 21.031 7.177 2.243 666 HB3 SER 22 HB3 SER 22 22.000 7.837 3.563 667 H ARG 23 H ARG 23 18.632 7.141 2.663 668 HA ARG 23 HA ARG 23 17.743 9.346 4.337 669 HE ARG 23 HE ARG 23 19.694 11.254 0.020 670 HB2 ARG 23 HB2 ARG 23 16.889 8.435 1.573 671 HB3 ARG 23 HB3 ARG 23 16.078 9.715 2.441 672 HG2 ARG 23 HG2 ARG 23 17.564 10.643 0.773 673 HG3 ARG 23 HG3 ARG 23 18.147 11.053 2.376 674 HD2 ARG 23 HD2 ARG 23 19.873 9.346 2.210 675 HD3 ARG 23 HD3 ARG 23 19.215 8.810 0.663 676 HH11 ARG 23 HH11 ARG 23 21.786 9.245 2.039 677 HH12 ARG 23 HH12 ARG 23 23.238 9.953 1.515 678 HH21 ARG 23 HH21 ARG 23 21.715 12.263 -0.684 679 HH22 ARG 23 HH22 ARG 23 23.186 11.703 -0.021 680 H ILE 24 H ILE 24 15.737 9.388 5.326 681 HA ILE 24 HA ILE 24 14.565 6.769 5.764 682 HB ILE 24 HB ILE 24 13.916 9.462 7.006 683 HG12 ILE 24 HG12 ILE 24 16.129 8.665 7.651 684 HG13 ILE 24 HG13 ILE 24 15.016 8.578 9.014 685 HG21 ILE 24 HG21 ILE 24 12.907 6.717 7.765 686 HG22 ILE 24 HG22 ILE 24 11.955 8.013 7.039 687 HG23 ILE 24 HG23 ILE 24 12.606 8.200 8.668 688 HD11 ILE 24 HD11 ILE 24 15.924 6.271 7.299 689 HD12 ILE 24 HD12 ILE 24 14.756 6.170 8.606 690 HD13 ILE 24 HD13 ILE 24 16.427 6.618 8.957 691 H LYS 25 H LYS 25 12.923 6.092 4.616 692 HA LYS 25 HA LYS 25 11.552 8.072 3.036 693 HB2 LYS 25 HB2 LYS 25 11.446 5.062 2.796 694 HB3 LYS 25 HB3 LYS 25 10.372 6.138 1.919 695 HG2 LYS 25 HG2 LYS 25 12.144 5.518 0.465 696 HG3 LYS 25 HG3 LYS 25 12.366 7.211 0.899 697 HD2 LYS 25 HD2 LYS 25 13.988 6.430 2.645 698 HD3 LYS 25 HD3 LYS 25 13.849 4.817 1.946 699 HE2 LYS 25 HE2 LYS 25 14.708 7.299 0.539 700 HE3 LYS 25 HE3 LYS 25 15.804 6.028 1.092 701 HZ1 LYS 25 HZ1 LYS 25 15.418 5.723 -1.233 702 HZ2 LYS 25 HZ2 LYS 25 13.755 5.859 -1.068 703 HZ3 LYS 25 HZ3 LYS 25 14.519 4.505 -0.489 704 H THR 26 H THR 26 9.568 8.561 3.077 705 HA THR 26 HA THR 26 7.821 7.426 5.181 706 HB THR 26 HB THR 26 8.188 10.350 4.455 707 HG1 THR 26 HG1 THR 26 9.432 8.702 6.176 708 HG21 THR 26 HG21 THR 26 6.537 9.020 6.618 709 HG22 THR 26 HG22 THR 26 5.887 9.764 5.159 710 HG23 THR 26 HG23 THR 26 6.701 10.757 6.371 711 H TYR 27 H TYR 27 6.032 6.783 4.422 712 HA TYR 27 HA TYR 27 5.114 7.861 1.872 713 HD1 TYR 27 HD1 TYR 27 7.518 4.857 2.487 714 HD2 TYR 27 HD2 TYR 27 4.980 6.308 -0.581 715 HE1 TYR 27 HE1 TYR 27 9.365 4.669 0.874 716 HE2 TYR 27 HE2 TYR 27 6.763 6.152 -2.181 717 HH TYR 27 HH TYR 27 9.786 4.554 -1.428 718 HB2 TYR 27 HB2 TYR 27 5.102 5.000 2.781 719 HB3 TYR 27 HB3 TYR 27 4.071 5.593 1.478 720 H THR 28 H THR 28 3.193 8.513 1.732 721 HA THR 28 HA THR 28 1.561 8.202 4.126 722 HB THR 28 HB THR 28 0.577 10.446 3.549 723 HG1 THR 28 HG1 THR 28 1.793 10.039 1.296 724 HG21 THR 28 HG21 THR 28 3.580 10.401 3.957 725 HG22 THR 28 HG22 THR 28 2.355 10.319 5.223 726 HG23 THR 28 HG23 THR 28 2.530 11.784 4.265 727 H ILE 29 H ILE 29 -0.404 7.365 3.865 728 HA ILE 29 HA ILE 29 -1.656 7.561 1.230 729 HB ILE 29 HB ILE 29 -1.527 5.087 2.979 730 HG12 ILE 29 HG12 ILE 29 -0.693 5.615 0.117 731 HG13 ILE 29 HG13 ILE 29 0.376 5.395 1.490 732 HG21 ILE 29 HG21 ILE 29 -3.073 3.969 1.451 733 HG22 ILE 29 HG22 ILE 29 -3.296 5.476 0.552 734 HG23 ILE 29 HG23 ILE 29 -3.834 5.345 2.226 735 HD11 ILE 29 HD11 ILE 29 0.299 3.418 0.110 736 HD12 ILE 29 HD12 ILE 29 -1.452 3.335 0.305 737 HD13 ILE 29 HD13 ILE 29 -0.409 3.102 1.701 738 H THR 30 H THR 30 -3.460 8.584 1.371 739 HA THR 30 HA THR 30 -4.872 8.673 3.931 740 HB THR 30 HB THR 30 -4.198 10.886 3.098 741 HG1 THR 30 HG1 THR 30 -6.163 10.925 4.138 742 HG21 THR 30 HG21 THR 30 -5.805 10.191 0.668 743 HG22 THR 30 HG22 THR 30 -4.050 10.363 0.711 744 HG23 THR 30 HG23 THR 30 -5.092 11.777 0.965 745 H GLU 31 H GLU 31 -6.589 7.589 4.122 746 HA GLU 31 HA GLU 31 -8.161 6.943 1.767 747 HB2 GLU 31 HB2 GLU 31 -6.708 5.025 2.034 748 HB3 GLU 31 HB3 GLU 31 -7.104 4.901 3.734 749 HG2 GLU 31 HG2 GLU 31 -8.207 3.203 2.331 750 HG3 GLU 31 HG3 GLU 31 -9.341 4.206 3.228 751 H GLY 32 H GLY 32 -9.864 8.110 2.267 752 HA2 GLY 32 HA2 GLY 32 -11.907 8.550 3.175 753 HA3 GLY 32 HA3 GLY 32 -11.764 7.026 4.036 754 H SER 33 H SER 33 -11.315 7.041 6.169 755 HA SER 33 HA SER 33 -10.993 9.695 7.332 756 HG SER 33 HG SER 33 -13.167 8.785 6.695 757 HB2 SER 33 HB2 SER 33 -12.341 7.265 8.513 758 HB3 SER 33 HB3 SER 33 -12.217 8.859 9.261 759 H LEU 34 H LEU 34 -8.957 7.319 6.564 760 HA LEU 34 HA LEU 34 -7.438 7.864 8.946 761 HG LEU 34 HG LEU 34 -6.822 4.822 6.818 762 HB2 LEU 34 HB2 LEU 34 -6.534 5.622 9.149 763 HB3 LEU 34 HB3 LEU 34 -8.274 5.567 9.341 764 HD11 LEU 34 HD11 LEU 34 -7.074 2.502 7.585 765 HD12 LEU 34 HD12 LEU 34 -7.774 3.086 9.103 766 HD13 LEU 34 HD13 LEU 34 -6.097 3.455 8.705 767 HD21 LEU 34 HD21 LEU 34 -9.241 5.371 6.631 768 HD22 LEU 34 HD22 LEU 34 -9.583 4.100 7.812 769 HD23 LEU 34 HD23 LEU 34 -8.870 3.691 6.251 770 H ARG 35 H ARG 35 -5.419 8.137 8.654 771 HA ARG 35 HA ARG 35 -4.402 7.981 5.913 772 HE ARG 35 HE ARG 35 -1.082 12.120 5.372 773 HB2 ARG 35 HB2 ARG 35 -4.737 10.237 6.686 774 HB3 ARG 35 HB3 ARG 35 -3.883 9.897 8.171 775 HG2 ARG 35 HG2 ARG 35 -1.811 9.667 6.914 776 HG3 ARG 35 HG3 ARG 35 -2.690 10.000 5.413 777 HD2 ARG 35 HD2 ARG 35 -3.356 12.106 6.163 778 HD3 ARG 35 HD3 ARG 35 -2.736 11.824 7.787 779 HH11 ARG 35 HH11 ARG 35 -1.639 12.607 8.857 780 HH12 ARG 35 HH12 ARG 35 -0.207 13.477 9.113 781 HH21 ARG 35 HH21 ARG 35 0.934 13.378 5.757 782 HH22 ARG 35 HH22 ARG 35 1.271 13.915 7.324 783 H ALA 36 H ALA 36 -2.536 6.842 5.660 784 HA ALA 36 HA ALA 36 -1.345 5.712 8.099 785 HB1 ALA 36 HB1 ALA 36 -2.455 4.055 6.686 786 HB2 ALA 36 HB2 ALA 36 -0.712 3.786 6.747 787 HB3 ALA 36 HB3 ALA 36 -1.441 4.536 5.327 788 H VAL 37 H VAL 37 0.797 5.779 8.372 789 HA VAL 37 HA VAL 37 2.438 6.957 6.238 790 HB VAL 37 HB VAL 37 2.624 7.627 9.203 791 HG11 VAL 37 HG11 VAL 37 4.497 9.084 8.571 792 HG12 VAL 37 HG12 VAL 37 4.388 8.503 6.911 793 HG13 VAL 37 HG13 VAL 37 4.861 7.398 8.203 794 HG21 VAL 37 HG21 VAL 37 0.882 8.845 7.949 795 HG22 VAL 37 HG22 VAL 37 2.157 9.311 6.805 796 HG23 VAL 37 HG23 VAL 37 2.220 9.911 8.456 797 H ILE 38 H ILE 38 4.145 5.814 5.729 798 HA ILE 38 HA ILE 38 4.982 3.626 7.479 799 HB ILE 38 HB ILE 38 4.930 3.976 4.492 800 HG12 ILE 38 HG12 ILE 38 3.739 1.844 6.232 801 HG13 ILE 38 HG13 ILE 38 2.877 3.279 5.676 802 HG21 ILE 38 HG21 ILE 38 6.214 1.698 6.000 803 HG22 ILE 38 HG22 ILE 38 7.057 2.916 5.035 804 HG23 ILE 38 HG23 ILE 38 5.951 1.790 4.257 805 HD11 ILE 38 HD11 ILE 38 3.032 2.669 3.513 806 HD12 ILE 38 HD12 ILE 38 2.478 1.242 4.379 807 HD13 ILE 38 HD13 ILE 38 4.168 1.304 3.837 808 H PHE 39 H PHE 39 6.951 3.768 8.264 809 HA PHE 39 HA PHE 39 8.878 5.645 7.064 810 HD1 PHE 39 HD1 PHE 39 9.455 7.983 8.837 811 HD2 PHE 39 HD2 PHE 39 6.627 5.317 10.568 812 HE1 PHE 39 HE1 PHE 39 8.126 9.899 9.611 813 HE2 PHE 39 HE2 PHE 39 5.293 7.223 11.348 814 HZ PHE 39 HZ PHE 39 6.044 9.524 10.871 815 HB2 PHE 39 HB2 PHE 39 8.767 4.539 9.880 816 HB3 PHE 39 HB3 PHE 39 9.999 5.625 9.261 817 H ILE 40 H ILE 40 10.361 4.729 5.981 818 HA ILE 40 HA ILE 40 10.967 1.905 6.428 819 HB ILE 40 HB ILE 40 11.981 3.756 4.266 820 HG12 ILE 40 HG12 ILE 40 9.555 3.548 3.818 821 HG13 ILE 40 HG13 ILE 40 10.438 2.438 2.789 822 HG21 ILE 40 HG21 ILE 40 12.609 1.683 3.084 823 HG22 ILE 40 HG22 ILE 40 12.127 0.761 4.514 824 HG23 ILE 40 HG23 ILE 40 13.463 1.899 4.610 825 HD11 ILE 40 HD11 ILE 40 9.865 0.611 4.053 826 HD12 ILE 40 HD12 ILE 40 8.404 1.549 3.684 827 HD13 ILE 40 HD13 ILE 40 9.103 1.610 5.302 828 H THR 41 H THR 41 12.565 1.443 7.771 829 HA THR 41 HA THR 41 14.814 3.320 7.957 830 HB THR 41 HB THR 41 14.946 2.884 10.386 831 HG1 THR 41 HG1 THR 41 12.615 1.339 9.872 832 HG21 THR 41 HG21 THR 41 12.234 3.921 9.529 833 HG22 THR 41 HG22 THR 41 13.708 4.877 9.673 834 HG23 THR 41 HG23 THR 41 12.970 4.176 11.109 835 H LYS 42 H LYS 42 16.776 2.292 8.810 836 HA LYS 42 HA LYS 42 17.349 -0.214 7.647 837 HB2 LYS 42 HB2 LYS 42 19.533 -0.032 8.596 838 HB3 LYS 42 HB3 LYS 42 19.049 1.599 8.183 839 HG2 LYS 42 HG2 LYS 42 18.997 0.399 10.969 840 HG3 LYS 42 HG3 LYS 42 20.229 1.482 10.338 841 HD2 LYS 42 HD2 LYS 42 18.630 3.286 10.189 842 HD3 LYS 42 HD3 LYS 42 17.305 2.196 10.613 843 HE2 LYS 42 HE2 LYS 42 17.944 3.548 12.505 844 HE3 LYS 42 HE3 LYS 42 18.295 1.852 12.787 845 HZ1 LYS 42 HZ1 LYS 42 20.635 2.254 12.341 846 HZ2 LYS 42 HZ2 LYS 42 20.106 3.304 13.524 847 HZ3 LYS 42 HZ3 LYS 42 20.336 3.878 11.959 848 H ARG 43 H ARG 43 15.918 0.602 10.652 849 HA ARG 43 HA ARG 43 16.773 -1.860 11.946 850 HE ARG 43 HE ARG 43 13.856 3.153 13.691 851 HB2 ARG 43 HB2 ARG 43 15.630 -1.009 13.958 852 HB3 ARG 43 HB3 ARG 43 16.860 0.087 13.357 853 HG2 ARG 43 HG2 ARG 43 15.152 1.525 12.408 854 HG3 ARG 43 HG3 ARG 43 13.896 0.390 12.904 855 HD2 ARG 43 HD2 ARG 43 14.445 0.750 15.235 856 HD3 ARG 43 HD3 ARG 43 15.783 1.802 14.783 857 HH11 ARG 43 HH11 ARG 43 13.582 1.398 16.764 858 HH12 ARG 43 HH12 ARG 43 12.553 2.549 17.476 859 HH21 ARG 43 HH21 ARG 43 12.453 4.732 14.705 860 HH22 ARG 43 HH22 ARG 43 11.898 4.470 16.289 861 H GLY 44 H GLY 44 14.119 -0.702 10.177 862 HA2 GLY 44 HA2 GLY 44 12.868 -3.097 9.886 863 HA3 GLY 44 HA3 GLY 44 12.270 -2.515 11.421 864 H LEU 45 H LEU 45 10.239 -2.538 10.558 865 HA LEU 45 HA LEU 45 9.609 -0.425 8.613 866 HG LEU 45 HG LEU 45 6.497 -1.232 8.816 867 HB2 LEU 45 HB2 LEU 45 8.974 -2.628 7.811 868 HB3 LEU 45 HB3 LEU 45 8.171 -2.992 9.323 869 HD11 LEU 45 HD11 LEU 45 7.852 -1.081 6.145 870 HD12 LEU 45 HD12 LEU 45 7.767 0.192 7.371 871 HD13 LEU 45 HD13 LEU 45 6.302 -0.357 6.568 872 HD21 LEU 45 HD21 LEU 45 5.298 -2.476 7.064 873 HD22 LEU 45 HD22 LEU 45 5.939 -3.532 8.314 874 HD23 LEU 45 HD23 LEU 45 6.754 -3.421 6.756 875 H LYS 46 H LYS 46 8.666 1.292 9.548 876 HA LYS 46 HA LYS 46 7.003 0.699 11.844 877 HB2 LYS 46 HB2 LYS 46 8.827 2.014 12.682 878 HB3 LYS 46 HB3 LYS 46 8.641 3.199 11.397 879 HG2 LYS 46 HG2 LYS 46 6.538 3.943 12.286 880 HG3 LYS 46 HG3 LYS 46 6.517 2.632 13.458 881 HD2 LYS 46 HD2 LYS 46 8.281 3.509 14.621 882 HD3 LYS 46 HD3 LYS 46 8.645 4.750 13.381 883 HE2 LYS 46 HE2 LYS 46 6.424 5.752 13.894 884 HE3 LYS 46 HE3 LYS 46 6.186 4.516 15.130 885 HZ1 LYS 46 HZ1 LYS 46 8.360 6.518 15.129 886 HZ2 LYS 46 HZ2 LYS 46 8.036 5.393 16.353 887 HZ3 LYS 46 HZ3 LYS 46 6.951 6.638 16.028 888 H VAL 47 H VAL 47 5.118 1.533 11.974 889 HA VAL 47 HA VAL 47 4.152 2.912 9.601 890 HB VAL 47 HB VAL 47 3.703 0.470 9.484 891 HG11 VAL 47 HG11 VAL 47 1.980 0.993 11.880 892 HG12 VAL 47 HG12 VAL 47 3.371 -0.082 11.780 893 HG13 VAL 47 HG13 VAL 47 1.878 -0.459 10.898 894 HG21 VAL 47 HG21 VAL 47 2.330 2.009 8.228 895 HG22 VAL 47 HG22 VAL 47 1.299 2.266 9.635 896 HG23 VAL 47 HG23 VAL 47 1.327 0.689 8.835 897 H CYS 48 H CYS 48 2.592 4.385 10.028 898 HA CYS 48 HA CYS 48 1.581 4.579 12.765 899 HB2 CYS 48 HB2 CYS 48 2.689 6.782 11.055 900 HB3 CYS 48 HB3 CYS 48 1.571 7.106 12.372 901 H ALA 49 H ALA 49 -0.464 5.090 12.984 902 HA ALA 49 HA ALA 49 -1.976 5.554 10.488 903 HB1 ALA 49 HB1 ALA 49 -3.915 4.637 11.656 904 HB2 ALA 49 HB2 ALA 49 -2.923 4.382 13.098 905 HB3 ALA 49 HB3 ALA 49 -2.579 3.486 11.613 906 H ASP 50 H ASP 50 -2.849 7.403 10.308 907 HA ASP 50 HA ASP 50 -2.908 9.238 12.601 908 HB2 ASP 50 HB2 ASP 50 -1.192 9.791 10.946 909 HB3 ASP 50 HB3 ASP 50 -2.367 9.710 9.651 910 HA PRO 51 HA PRO 51 -7.232 8.988 11.742 911 HB2 PRO 51 HB2 PRO 51 -8.114 10.773 13.539 912 HB3 PRO 51 HB3 PRO 51 -7.499 9.181 13.999 913 HG2 PRO 51 HG2 PRO 51 -6.142 11.837 14.111 914 HG3 PRO 51 HG3 PRO 51 -6.087 10.506 15.279 915 HD2 PRO 51 HD2 PRO 51 -4.115 11.013 13.441 916 HD3 PRO 51 HD3 PRO 51 -4.457 9.407 14.132 917 H GLN 52 H GLN 52 -8.337 9.789 10.179 918 HA GLN 52 HA GLN 52 -9.384 11.166 8.714 919 HB2 GLN 52 HB2 GLN 52 -9.605 12.777 11.241 920 HB3 GLN 52 HB3 GLN 52 -10.674 12.854 9.846 921 HG2 GLN 52 HG2 GLN 52 -11.303 10.542 10.207 922 HG3 GLN 52 HG3 GLN 52 -10.257 10.476 11.608 923 HE21 GLN 52 HE21 GLN 52 -10.821 11.668 13.483 924 HE22 GLN 52 HE22 GLN 52 -12.410 12.263 13.726 925 H ALA 53 H ALA 53 -9.653 14.067 9.320 926 HA ALA 53 HA ALA 53 -7.200 15.389 9.104 927 HB1 ALA 53 HB1 ALA 53 -7.812 16.447 6.909 928 HB2 ALA 53 HB2 ALA 53 -9.116 15.266 6.746 929 HB3 ALA 53 HB3 ALA 53 -7.436 14.730 6.749 930 H THR 54 H THR 54 -8.041 17.850 8.776 931 HA THR 54 HA THR 54 -9.943 18.385 10.756 932 HB THR 54 HB THR 54 -10.038 20.703 9.681 933 HG1 THR 54 HG1 THR 54 -7.861 19.991 8.098 934 HG21 THR 54 HG21 THR 54 -7.706 21.257 10.254 935 HG22 THR 54 HG22 THR 54 -7.299 19.543 10.250 936 HG23 THR 54 HG23 THR 54 -8.421 20.179 11.453 937 H TRP 55 H TRP 55 -10.288 18.574 7.259 938 HA TRP 55 HA TRP 55 -13.104 17.841 7.547 939 HD1 TRP 55 HD1 TRP 55 -14.897 20.042 7.630 940 HE1 TRP 55 HE1 TRP 55 -14.736 22.395 8.698 941 HE3 TRP 55 HE3 TRP 55 -10.335 21.425 5.814 942 HZ2 TRP 55 HZ2 TRP 55 -12.900 24.534 8.754 943 HZ3 TRP 55 HZ3 TRP 55 -9.445 23.636 6.416 944 HH2 TRP 55 HH2 TRP 55 -10.699 25.157 7.855 945 HB2 TRP 55 HB2 TRP 55 -11.820 19.524 5.373 946 HB3 TRP 55 HB3 TRP 55 -13.513 19.046 5.430 947 H VAL 56 H VAL 56 -13.394 15.810 6.811 948 HA VAL 56 HA VAL 56 -11.286 14.552 5.385 949 HB VAL 56 HB VAL 56 -12.748 12.497 5.311 950 HG11 VAL 56 HG11 VAL 56 -11.264 12.868 7.189 951 HG12 VAL 56 HG12 VAL 56 -12.761 12.101 7.724 952 HG13 VAL 56 HG13 VAL 56 -12.499 13.822 8.002 953 HG21 VAL 56 HG21 VAL 56 -14.860 12.493 6.550 954 HG22 VAL 56 HG22 VAL 56 -14.937 13.601 5.182 955 HG23 VAL 56 HG23 VAL 56 -14.721 14.232 6.817 956 H ARG 57 H ARG 57 -10.858 14.873 3.428 957 HA ARG 57 HA ARG 57 -12.844 15.933 1.612 958 HE ARG 57 HE ARG 57 -8.492 15.692 -0.583 959 HB2 ARG 57 HB2 ARG 57 -10.629 16.968 1.948 960 HB3 ARG 57 HB3 ARG 57 -9.872 15.505 1.356 961 HG2 ARG 57 HG2 ARG 57 -10.862 15.880 -0.835 962 HG3 ARG 57 HG3 ARG 57 -11.646 17.346 -0.236 963 HD2 ARG 57 HD2 ARG 57 -9.578 17.896 -1.401 964 HD3 ARG 57 HD3 ARG 57 -9.444 18.284 0.320 965 HH11 ARG 57 HH11 ARG 57 -7.562 18.972 0.427 966 HH12 ARG 57 HH12 ARG 57 -5.956 18.513 0.771 967 HH21 ARG 57 HH21 ARG 57 -6.391 15.129 -0.116 968 HH22 ARG 57 HH22 ARG 57 -5.244 16.302 0.454 969 H ASP 58 H ASP 58 -13.745 14.750 -0.007 970 HA ASP 58 HA ASP 58 -13.181 11.941 -0.179 971 HB2 ASP 58 HB2 ASP 58 -15.035 13.690 -1.801 972 HB3 ASP 58 HB3 ASP 58 -14.850 11.963 -2.072 973 H VAL 59 H VAL 59 -12.260 14.749 -1.892 974 HA VAL 59 HA VAL 59 -11.095 13.205 -4.065 975 HB VAL 59 HB VAL 59 -10.895 16.185 -3.518 976 HG11 VAL 59 HG11 VAL 59 -10.294 14.605 -6.016 977 HG12 VAL 59 HG12 VAL 59 -9.114 15.386 -4.966 978 HG13 VAL 59 HG13 VAL 59 -10.259 16.364 -5.886 979 HG21 VAL 59 HG21 VAL 59 -12.780 14.707 -5.353 980 HG22 VAL 59 HG22 VAL 59 -12.622 16.461 -5.239 981 HG23 VAL 59 HG23 VAL 59 -13.216 15.536 -3.859 982 H VAL 60 H VAL 60 -9.365 12.098 -3.379 983 HA VAL 60 HA VAL 60 -7.308 11.600 -2.670 984 HB VAL 60 HB VAL 60 -6.808 14.593 -2.588 985 HG11 VAL 60 HG11 VAL 60 -5.147 13.374 -1.267 986 HG12 VAL 60 HG12 VAL 60 -4.411 14.014 -2.738 987 HG13 VAL 60 HG13 VAL 60 -4.825 12.301 -2.632 988 HG21 VAL 60 HG21 VAL 60 -7.446 13.843 -4.827 989 HG22 VAL 60 HG22 VAL 60 -6.207 12.591 -4.772 990 HG23 VAL 60 HG23 VAL 60 -5.738 14.292 -4.792 Start of MODEL 9 1 HA VAL 1 HA VAL 1 3.548 -11.517 22.241 2 HB VAL 1 HB VAL 1 4.485 -9.482 23.277 3 H1 VAL 1 H1 VAL 1 6.140 -12.832 22.750 4 H2 VAL 1 H2 VAL 1 4.872 -13.415 21.843 5 H3 VAL 1 H3 VAL 1 4.675 -13.197 23.499 6 HG11 VAL 1 HG11 VAL 1 3.119 -10.954 24.627 7 HG12 VAL 1 HG12 VAL 1 4.378 -10.210 25.612 8 HG13 VAL 1 HG13 VAL 1 4.542 -11.884 25.089 9 HG21 VAL 1 HG21 VAL 1 6.878 -9.926 22.929 10 HG22 VAL 1 HG22 VAL 1 6.806 -11.232 24.119 11 HG23 VAL 1 HG23 VAL 1 6.530 -9.568 24.619 12 H GLY 2 H GLY 2 6.873 -11.960 21.239 13 HA2 GLY 2 HA2 GLY 2 6.358 -10.096 19.054 14 HA3 GLY 2 HA3 GLY 2 7.944 -10.652 19.591 15 H SER 3 H SER 3 6.414 -10.837 16.970 16 HA SER 3 HA SER 3 6.057 -13.652 16.639 17 HG SER 3 HG SER 3 4.009 -12.686 15.941 18 HB2 SER 3 HB2 SER 3 6.146 -11.421 14.590 19 HB3 SER 3 HB3 SER 3 5.581 -13.068 14.304 20 H GLU 4 H GLU 4 7.939 -14.660 17.057 21 HA GLU 4 HA GLU 4 9.989 -15.481 16.809 22 HB2 GLU 4 HB2 GLU 4 9.621 -14.499 13.971 23 HB3 GLU 4 HB3 GLU 4 10.939 -15.542 14.489 24 HG2 GLU 4 HG2 GLU 4 9.299 -17.221 15.230 25 HG3 GLU 4 HG3 GLU 4 8.008 -16.192 14.626 26 H VAL 5 H VAL 5 12.316 -14.698 15.561 27 HA VAL 5 HA VAL 5 12.609 -12.108 16.816 28 HB VAL 5 HB VAL 5 15.032 -12.664 17.275 29 HG11 VAL 5 HG11 VAL 5 13.332 -12.770 19.010 30 HG12 VAL 5 HG12 VAL 5 14.529 -14.045 19.242 31 HG13 VAL 5 HG13 VAL 5 12.950 -14.429 18.555 32 HG21 VAL 5 HG21 VAL 5 14.142 -15.476 16.603 33 HG22 VAL 5 HG22 VAL 5 15.689 -15.028 17.321 34 HG23 VAL 5 HG23 VAL 5 15.301 -14.511 15.680 35 H SER 6 H SER 6 12.284 -10.796 15.253 36 HA SER 6 HA SER 6 12.662 -9.467 13.482 37 HG SER 6 HG SER 6 13.870 -9.147 15.565 38 HB2 SER 6 HB2 SER 6 15.501 -10.321 14.029 39 HB3 SER 6 HB3 SER 6 15.026 -8.911 13.071 40 H ASP 7 H ASP 7 11.961 -12.171 12.775 41 HA ASP 7 HA ASP 7 12.981 -12.146 10.060 42 HB2 ASP 7 HB2 ASP 7 14.361 -13.822 11.264 43 HB3 ASP 7 HB3 ASP 7 12.896 -14.632 11.794 44 H LYS 8 H LYS 8 11.603 -13.380 8.621 45 HA LYS 8 HA LYS 8 9.679 -13.761 7.639 46 HB2 LYS 8 HB2 LYS 8 8.618 -14.318 10.406 47 HB3 LYS 8 HB3 LYS 8 7.552 -14.353 9.035 48 HG2 LYS 8 HG2 LYS 8 8.127 -16.562 9.443 49 HG3 LYS 8 HG3 LYS 8 9.118 -16.093 8.063 50 HD2 LYS 8 HD2 LYS 8 10.952 -15.651 9.541 51 HD3 LYS 8 HD3 LYS 8 9.932 -16.103 10.911 52 HE2 LYS 8 HE2 LYS 8 9.665 -18.357 9.920 53 HE3 LYS 8 HE3 LYS 8 10.813 -17.904 8.656 54 HZ1 LYS 8 HZ1 LYS 8 11.929 -19.111 10.430 55 HZ2 LYS 8 HZ2 LYS 8 11.321 -17.993 11.550 56 HZ3 LYS 8 HZ3 LYS 8 12.446 -17.489 10.385 57 H ARG 9 H ARG 9 7.133 -13.068 7.904 58 HA ARG 9 HA ARG 9 7.486 -10.222 7.549 59 HE ARG 9 HE ARG 9 8.678 -12.807 3.654 60 HB2 ARG 9 HB2 ARG 9 5.443 -12.129 6.380 61 HB3 ARG 9 HB3 ARG 9 5.660 -10.428 5.936 62 HG2 ARG 9 HG2 ARG 9 7.867 -10.828 5.180 63 HG3 ARG 9 HG3 ARG 9 7.821 -12.507 5.706 64 HD2 ARG 9 HD2 ARG 9 5.964 -12.812 4.012 65 HD3 ARG 9 HD3 ARG 9 6.365 -11.196 3.416 66 HH11 ARG 9 HH11 ARG 9 6.112 -11.917 1.428 67 HH12 ARG 9 HH12 ARG 9 6.731 -12.764 0.093 68 HH21 ARG 9 HH21 ARG 9 9.621 -13.928 1.832 69 HH22 ARG 9 HH22 ARG 9 8.824 -13.935 0.329 70 H THR 10 H THR 10 6.895 -9.137 9.223 71 HA THR 10 HA THR 10 4.996 -10.137 11.130 72 HB THR 10 HB THR 10 5.732 -8.047 12.332 73 HG1 THR 10 HG1 THR 10 6.375 -7.045 10.269 74 HG21 THR 10 HG21 THR 10 7.976 -8.932 12.838 75 HG22 THR 10 HG22 THR 10 7.896 -9.954 11.403 76 HG23 THR 10 HG23 THR 10 6.790 -10.232 12.748 77 H CYS 11 H CYS 11 3.039 -9.146 11.626 78 HA CYS 11 HA CYS 11 2.270 -6.807 10.038 79 HB2 CYS 11 HB2 CYS 11 0.544 -9.233 10.633 80 HB3 CYS 11 HB3 CYS 11 -0.016 -7.758 9.865 81 H VAL 12 H VAL 12 0.842 -5.444 11.135 82 HA VAL 12 HA VAL 12 0.085 -6.096 13.896 83 HB VAL 12 HB VAL 12 1.674 -3.582 13.202 84 HG11 VAL 12 HG11 VAL 12 0.533 -4.423 15.861 85 HG12 VAL 12 HG12 VAL 12 -0.045 -3.088 14.864 86 HG13 VAL 12 HG13 VAL 12 1.570 -3.026 15.576 87 HG21 VAL 12 HG21 VAL 12 2.413 -5.888 14.998 88 HG22 VAL 12 HG22 VAL 12 3.365 -4.420 14.756 89 HG23 VAL 12 HG23 VAL 12 3.100 -5.538 13.415 90 H SER 13 H SER 13 -1.765 -5.140 14.560 91 HA SER 13 HA SER 13 -3.039 -3.334 12.652 92 HG SER 13 HG SER 13 -5.327 -3.254 12.894 93 HB2 SER 13 HB2 SER 13 -4.276 -5.450 13.083 94 HB3 SER 13 HB3 SER 13 -4.318 -5.056 14.803 95 H LEU 14 H LEU 14 -3.407 -1.336 13.263 96 HA LEU 14 HA LEU 14 -2.649 -0.518 15.966 97 HG LEU 14 HG LEU 14 -0.658 1.777 13.683 98 HB2 LEU 14 HB2 LEU 14 -2.989 1.096 13.435 99 HB3 LEU 14 HB3 LEU 14 -2.637 1.780 14.993 100 HD11 LEU 14 HD11 LEU 14 0.850 0.537 15.095 101 HD12 LEU 14 HD12 LEU 14 -0.527 -0.346 15.777 102 HD13 LEU 14 HD13 LEU 14 -0.401 1.398 16.004 103 HD21 LEU 14 HD21 LEU 14 -1.194 0.008 12.101 104 HD22 LEU 14 HD22 LEU 14 -1.022 -1.198 13.370 105 HD23 LEU 14 HD23 LEU 14 0.392 -0.282 12.835 106 H THR 15 H THR 15 -4.254 -0.083 17.316 107 HA THR 15 HA THR 15 -6.797 0.538 16.135 108 HB THR 15 HB THR 15 -7.634 0.233 18.517 109 HG1 THR 15 HG1 THR 15 -6.135 0.177 19.900 110 HG21 THR 15 HG21 THR 15 -6.293 -2.118 17.170 111 HG22 THR 15 HG22 THR 15 -7.915 -1.512 16.837 112 HG23 THR 15 HG23 THR 15 -7.551 -2.231 18.405 113 H THR 16 H THR 16 -7.169 2.496 15.834 114 HA THR 16 HA THR 16 -6.687 4.447 17.936 115 HB THR 16 HB THR 16 -4.850 4.760 16.293 116 HG1 THR 16 HG1 THR 16 -5.108 6.826 16.692 117 HG21 THR 16 HG21 THR 16 -5.938 3.816 14.299 118 HG22 THR 16 HG22 THR 16 -5.337 5.440 13.963 119 HG23 THR 16 HG23 THR 16 -7.055 5.176 14.255 120 H GLN 17 H GLN 17 -7.866 6.595 16.683 121 HA GLN 17 HA GLN 17 -10.650 5.887 16.795 122 HB2 GLN 17 HB2 GLN 17 -9.734 8.059 17.634 123 HB3 GLN 17 HB3 GLN 17 -9.350 8.499 15.981 124 HG2 GLN 17 HG2 GLN 17 -11.735 8.458 15.428 125 HG3 GLN 17 HG3 GLN 17 -12.106 8.022 17.097 126 HE21 GLN 17 HE21 GLN 17 -11.764 9.569 18.736 127 HE22 GLN 17 HE22 GLN 17 -11.643 11.240 18.373 128 H ARG 18 H ARG 18 -11.382 4.714 15.108 129 HA ARG 18 HA ARG 18 -10.679 5.687 12.426 130 HE ARG 18 HE ARG 18 -11.953 0.245 14.323 131 HB2 ARG 18 HB2 ARG 18 -10.361 3.525 11.527 132 HB3 ARG 18 HB3 ARG 18 -9.389 3.621 12.978 133 HG2 ARG 18 HG2 ARG 18 -12.041 2.157 12.717 134 HG3 ARG 18 HG3 ARG 18 -10.445 1.422 12.723 135 HD2 ARG 18 HD2 ARG 18 -10.112 2.266 15.020 136 HD3 ARG 18 HD3 ARG 18 -11.754 2.910 14.977 137 HH11 ARG 18 HH11 ARG 18 -10.962 2.167 17.099 138 HH12 ARG 18 HH12 ARG 18 -11.291 0.986 18.274 139 HH21 ARG 18 HH21 ARG 18 -12.396 -1.484 15.968 140 HH22 ARG 18 HH22 ARG 18 -12.093 -1.138 17.604 141 H LEU 19 H LEU 19 -12.114 5.447 10.809 142 HA LEU 19 HA LEU 19 -14.875 5.121 11.624 143 HG LEU 19 HG LEU 19 -13.801 4.917 7.978 144 HB2 LEU 19 HB2 LEU 19 -15.481 6.013 9.472 145 HB3 LEU 19 HB3 LEU 19 -14.218 7.028 10.117 146 HD11 LEU 19 HD11 LEU 19 -15.231 6.668 7.155 147 HD12 LEU 19 HD12 LEU 19 -13.630 6.791 6.422 148 HD13 LEU 19 HD13 LEU 19 -14.097 7.896 7.715 149 HD21 LEU 19 HD21 LEU 19 -11.968 7.115 8.981 150 HD22 LEU 19 HD22 LEU 19 -11.674 6.115 7.567 151 HD23 LEU 19 HD23 LEU 19 -11.720 5.371 9.158 152 HA PRO 20 HA PRO 20 -14.943 0.997 9.956 153 HB2 PRO 20 HB2 PRO 20 -17.573 0.827 9.210 154 HB3 PRO 20 HB3 PRO 20 -17.032 0.665 10.885 155 HG2 PRO 20 HG2 PRO 20 -18.215 3.018 9.488 156 HG3 PRO 20 HG3 PRO 20 -18.490 2.446 11.143 157 HD2 PRO 20 HD2 PRO 20 -16.865 4.535 10.511 158 HD3 PRO 20 HD3 PRO 20 -16.603 3.488 11.930 159 H VAL 21 H VAL 21 -14.483 0.218 8.046 160 HA VAL 21 HA VAL 21 -15.057 1.848 5.668 161 HB VAL 21 HB VAL 21 -12.643 1.516 6.234 162 HG11 VAL 21 HG11 VAL 21 -12.688 -0.676 7.184 163 HG12 VAL 21 HG12 VAL 21 -11.569 -0.654 5.821 164 HG13 VAL 21 HG13 VAL 21 -13.166 -1.374 5.639 165 HG21 VAL 21 HG21 VAL 21 -11.880 0.890 3.972 166 HG22 VAL 21 HG22 VAL 21 -13.238 2.016 3.940 167 HG23 VAL 21 HG23 VAL 21 -13.504 0.303 3.607 168 H SER 22 H SER 22 -15.773 0.808 3.745 169 HA SER 22 HA SER 22 -17.603 -1.276 4.184 170 HG SER 22 HG SER 22 -16.832 0.983 1.004 171 HB2 SER 22 HB2 SER 22 -17.861 -1.082 1.679 172 HB3 SER 22 HB3 SER 22 -18.115 0.406 2.593 173 H ARG 23 H ARG 23 -14.672 -1.169 2.179 174 HA ARG 23 HA ARG 23 -14.544 -4.106 2.313 175 HE ARG 23 HE ARG 23 -14.432 -1.427 -1.605 176 HB2 ARG 23 HB2 ARG 23 -13.509 -2.263 0.191 177 HB3 ARG 23 HB3 ARG 23 -13.339 -4.009 0.217 178 HG2 ARG 23 HG2 ARG 23 -15.785 -4.225 0.142 179 HG3 ARG 23 HG3 ARG 23 -15.906 -2.467 0.019 180 HD2 ARG 23 HD2 ARG 23 -14.425 -4.272 -1.781 181 HD3 ARG 23 HD3 ARG 23 -16.018 -3.580 -2.160 182 HH11 ARG 23 HH11 ARG 23 -14.197 -4.053 -3.959 183 HH12 ARG 23 HH12 ARG 23 -13.319 -3.161 -5.104 184 HH21 ARG 23 HH21 ARG 23 -13.205 -0.171 -3.182 185 HH22 ARG 23 HH22 ARG 23 -12.721 -0.917 -4.631 186 H ILE 24 H ILE 24 -12.367 -4.977 2.389 187 HA ILE 24 HA ILE 24 -10.594 -3.335 3.971 188 HB ILE 24 HB ILE 24 -10.181 -6.135 2.856 189 HG12 ILE 24 HG12 ILE 24 -12.069 -6.080 4.413 190 HG13 ILE 24 HG13 ILE 24 -10.708 -6.942 5.118 191 HG21 ILE 24 HG21 ILE 24 -8.385 -6.339 4.524 192 HG22 ILE 24 HG22 ILE 24 -8.629 -4.654 4.981 193 HG23 ILE 24 HG23 ILE 24 -8.063 -5.052 3.359 194 HD11 ILE 24 HD11 ILE 24 -11.557 -4.119 5.751 195 HD12 ILE 24 HD12 ILE 24 -10.162 -4.949 6.443 196 HD13 ILE 24 HD13 ILE 24 -11.793 -5.537 6.767 197 H LYS 25 H LYS 25 -9.306 -1.974 3.012 198 HA LYS 25 HA LYS 25 -8.723 -2.362 0.176 199 HB2 LYS 25 HB2 LYS 25 -8.107 0.104 1.858 200 HB3 LYS 25 HB3 LYS 25 -8.058 -0.108 0.109 201 HG2 LYS 25 HG2 LYS 25 -10.582 -0.316 1.701 202 HG3 LYS 25 HG3 LYS 25 -10.024 1.151 0.893 203 HD2 LYS 25 HD2 LYS 25 -10.335 -1.457 -0.475 204 HD3 LYS 25 HD3 LYS 25 -11.683 -0.292 -0.416 205 HE2 LYS 25 HE2 LYS 25 -8.937 0.065 -1.684 206 HE3 LYS 25 HE3 LYS 25 -10.456 -0.168 -2.533 207 HZ1 LYS 25 HZ1 LYS 25 -9.837 2.138 -2.537 208 HZ2 LYS 25 HZ2 LYS 25 -9.791 2.217 -0.850 209 HZ3 LYS 25 HZ3 LYS 25 -11.242 1.927 -1.630 210 H THR 26 H THR 26 -6.793 -2.888 -0.569 211 HA THR 26 HA THR 26 -4.583 -3.189 1.380 212 HB THR 26 HB THR 26 -3.647 -4.809 -0.222 213 HG1 THR 26 HG1 THR 26 -6.046 -4.300 -1.673 214 HG21 THR 26 HG21 THR 26 -5.292 -6.605 0.074 215 HG22 THR 26 HG22 THR 26 -6.521 -5.411 0.491 216 HG23 THR 26 HG23 THR 26 -5.124 -5.643 1.542 217 H TYR 27 H TYR 27 -2.929 -1.958 1.217 218 HA TYR 27 HA TYR 27 -2.427 -0.692 -1.349 219 HD1 TYR 27 HD1 TYR 27 -2.687 2.017 -1.901 220 HD2 TYR 27 HD2 TYR 27 -4.669 0.714 1.600 221 HE1 TYR 27 HE1 TYR 27 -4.720 3.059 -2.704 222 HE2 TYR 27 HE2 TYR 27 -6.757 1.763 0.828 223 HH TYR 27 HH TYR 27 -7.539 3.428 -0.676 224 HB2 TYR 27 HB2 TYR 27 -2.308 0.553 1.378 225 HB3 TYR 27 HB3 TYR 27 -1.458 1.247 -0.011 226 H THR 28 H THR 28 -0.588 -0.959 -2.145 227 HA THR 28 HA THR 28 1.309 -2.298 -0.424 228 HB THR 28 HB THR 28 2.117 -3.495 -2.516 229 HG1 THR 28 HG1 THR 28 -0.377 -2.765 -3.619 230 HG21 THR 28 HG21 THR 28 0.268 -5.104 -2.555 231 HG22 THR 28 HG22 THR 28 -0.780 -3.926 -1.765 232 HG23 THR 28 HG23 THR 28 0.602 -4.601 -0.907 233 H ILE 29 H ILE 29 3.077 -1.228 -0.030 234 HA ILE 29 HA ILE 29 4.164 0.483 -2.139 235 HB ILE 29 HB ILE 29 4.274 0.920 0.855 236 HG12 ILE 29 HG12 ILE 29 2.989 2.521 -1.367 237 HG13 ILE 29 HG13 ILE 29 2.155 1.605 -0.117 238 HG21 ILE 29 HG21 ILE 29 5.629 2.537 -1.322 239 HG22 ILE 29 HG22 ILE 29 6.426 1.510 -0.129 240 HG23 ILE 29 HG23 ILE 29 5.574 2.954 0.395 241 HD11 ILE 29 HD11 ILE 29 2.085 3.947 0.405 242 HD12 ILE 29 HD12 ILE 29 3.837 4.047 0.231 243 HD13 ILE 29 HD13 ILE 29 3.155 3.131 1.562 244 H THR 30 H THR 30 5.999 -0.241 -2.856 245 HA THR 30 HA THR 30 7.619 -1.687 -0.982 246 HB THR 30 HB THR 30 6.871 -3.339 -2.506 247 HG1 THR 30 HG1 THR 30 9.318 -3.033 -2.134 248 HG21 THR 30 HG21 THR 30 7.734 -1.517 -4.713 249 HG22 THR 30 HG22 THR 30 6.070 -1.927 -4.303 250 HG23 THR 30 HG23 THR 30 7.152 -3.173 -4.956 251 H GLU 31 H GLU 31 9.446 -1.052 -0.633 252 HA GLU 31 HA GLU 31 10.633 1.145 -2.158 253 HB2 GLU 31 HB2 GLU 31 9.587 2.089 -0.190 254 HB3 GLU 31 HB3 GLU 31 10.271 0.843 0.830 255 HG2 GLU 31 HG2 GLU 31 11.352 3.023 1.107 256 HG3 GLU 31 HG3 GLU 31 12.461 1.765 0.575 257 H GLY 32 H GLY 32 12.162 -0.009 -3.123 258 HA2 GLY 32 HA2 GLY 32 14.150 -1.072 -3.383 259 HA3 GLY 32 HA3 GLY 32 14.421 -0.875 -1.646 260 H SER 33 H SER 33 14.888 -2.807 -0.910 261 HA SER 33 HA SER 33 13.460 -5.115 -1.931 262 HG SER 33 HG SER 33 15.665 -4.670 -2.584 263 HB2 SER 33 HB2 SER 33 15.735 -4.943 0.050 264 HB3 SER 33 HB3 SER 33 15.070 -6.428 -0.630 265 H LEU 34 H LEU 34 12.300 -2.942 -0.026 266 HA LEU 34 HA LEU 34 11.304 -4.799 1.953 267 HG LEU 34 HG LEU 34 9.796 -2.352 3.057 268 HB2 LEU 34 HB2 LEU 34 12.588 -3.250 3.016 269 HB3 LEU 34 HB3 LEU 34 12.000 -1.890 2.060 270 HD11 LEU 34 HD11 LEU 34 9.748 -3.461 5.303 271 HD12 LEU 34 HD12 LEU 34 11.416 -3.966 5.039 272 HD13 LEU 34 HD13 LEU 34 10.135 -4.562 3.982 273 HD21 LEU 34 HD21 LEU 34 11.029 -0.427 3.680 274 HD22 LEU 34 HD22 LEU 34 11.995 -1.332 4.846 275 HD23 LEU 34 HD23 LEU 34 10.271 -1.067 5.132 276 H ARG 35 H ARG 35 9.137 -4.986 1.987 277 HA ARG 35 HA ARG 35 7.604 -2.989 0.541 278 HE ARG 35 HE ARG 35 6.214 -7.392 -0.519 279 HB2 ARG 35 HB2 ARG 35 7.786 -4.879 -0.918 280 HB3 ARG 35 HB3 ARG 35 7.318 -5.976 0.367 281 HG2 ARG 35 HG2 ARG 35 5.088 -5.153 0.347 282 HG3 ARG 35 HG3 ARG 35 5.526 -3.843 -0.757 283 HD2 ARG 35 HD2 ARG 35 4.401 -5.696 -1.905 284 HD3 ARG 35 HD3 ARG 35 6.050 -5.418 -2.475 285 HH11 ARG 35 HH11 ARG 35 4.662 -7.033 -3.680 286 HH12 ARG 35 HH12 ARG 35 4.785 -8.676 -4.075 287 HH21 ARG 35 HH21 ARG 35 6.359 -9.542 -0.992 288 HH22 ARG 35 HH22 ARG 35 5.799 -10.221 -2.470 289 H ALA 36 H ALA 36 5.804 -2.274 1.484 290 HA ALA 36 HA ALA 36 4.985 -3.605 3.969 291 HB1 ALA 36 HB1 ALA 36 4.384 -1.388 4.835 292 HB2 ALA 36 HB2 ALA 36 4.981 -0.650 3.351 293 HB3 ALA 36 HB3 ALA 36 6.099 -1.471 4.439 294 H VAL 37 H VAL 37 2.846 -3.892 4.251 295 HA VAL 37 HA VAL 37 1.080 -2.923 2.080 296 HB VAL 37 HB VAL 37 0.808 -5.620 3.460 297 HG11 VAL 37 HG11 VAL 37 -1.037 -6.015 1.876 298 HG12 VAL 37 HG12 VAL 37 -0.859 -4.371 1.266 299 HG13 VAL 37 HG13 VAL 37 -1.376 -4.643 2.929 300 HG21 VAL 37 HG21 VAL 37 1.160 -6.488 1.178 301 HG22 VAL 37 HG22 VAL 37 2.599 -5.659 1.831 302 HG23 VAL 37 HG23 VAL 37 1.526 -4.837 0.685 303 H ILE 38 H ILE 38 -0.554 -1.769 2.652 304 HA ILE 38 HA ILE 38 -1.268 -1.557 5.456 305 HB ILE 38 HB ILE 38 -1.545 0.198 3.045 306 HG12 ILE 38 HG12 ILE 38 -0.191 0.681 5.676 307 HG13 ILE 38 HG13 ILE 38 0.605 0.145 4.195 308 HG21 ILE 38 HG21 ILE 38 -3.621 0.426 4.276 309 HG22 ILE 38 HG22 ILE 38 -2.620 1.870 4.392 310 HG23 ILE 38 HG23 ILE 38 -2.716 0.760 5.764 311 HD11 ILE 38 HD11 ILE 38 -0.949 2.704 4.420 312 HD12 ILE 38 HD12 ILE 38 0.054 2.098 3.096 313 HD13 ILE 38 HD13 ILE 38 0.804 2.566 4.651 314 H PHE 39 H PHE 39 -3.088 -2.452 6.049 315 HA PHE 39 HA PHE 39 -5.205 -2.984 4.077 316 HD1 PHE 39 HD1 PHE 39 -5.712 -5.987 3.743 317 HD2 PHE 39 HD2 PHE 39 -2.487 -5.079 6.363 318 HE1 PHE 39 HE1 PHE 39 -4.377 -7.782 2.720 319 HE2 PHE 39 HE2 PHE 39 -1.155 -6.868 5.351 320 HZ PHE 39 HZ PHE 39 -2.093 -8.221 3.528 321 HB2 PHE 39 HB2 PHE 39 -4.696 -4.254 6.780 322 HB3 PHE 39 HB3 PHE 39 -6.046 -4.628 5.722 323 H ILE 40 H ILE 40 -6.730 -1.645 4.181 324 HA ILE 40 HA ILE 40 -7.140 -0.017 6.554 325 HB ILE 40 HB ILE 40 -8.644 -0.045 3.934 326 HG12 ILE 40 HG12 ILE 40 -6.398 0.687 3.327 327 HG13 ILE 40 HG13 ILE 40 -7.420 2.099 3.542 328 HG21 ILE 40 HG21 ILE 40 -10.006 0.903 5.644 329 HG22 ILE 40 HG22 ILE 40 -9.431 2.200 4.594 330 HG23 ILE 40 HG23 ILE 40 -8.695 1.950 6.175 331 HD11 ILE 40 HD11 ILE 40 -6.469 2.650 5.559 332 HD12 ILE 40 HD12 ILE 40 -5.170 2.332 4.390 333 HD13 ILE 40 HD13 ILE 40 -5.538 1.141 5.628 334 H THR 41 H THR 41 -8.390 -0.782 8.105 335 HA THR 41 HA THR 41 -10.571 -2.548 7.335 336 HB THR 41 HB THR 41 -8.792 -4.018 8.036 337 HG1 THR 41 HG1 THR 41 -9.845 -5.143 9.534 338 HG21 THR 41 HG21 THR 41 -7.434 -2.456 9.338 339 HG22 THR 41 HG22 THR 41 -7.776 -3.907 10.278 340 HG23 THR 41 HG23 THR 41 -8.664 -2.418 10.599 341 H LYS 42 H LYS 42 -12.096 -2.862 9.114 342 HA LYS 42 HA LYS 42 -13.057 -0.377 10.139 343 HB2 LYS 42 HB2 LYS 42 -14.894 -1.611 11.121 344 HB3 LYS 42 HB3 LYS 42 -14.569 -2.308 9.546 345 HG2 LYS 42 HG2 LYS 42 -13.663 -3.483 12.188 346 HG3 LYS 42 HG3 LYS 42 -15.076 -4.009 11.280 347 HD2 LYS 42 HD2 LYS 42 -13.653 -4.765 9.457 348 HD3 LYS 42 HD3 LYS 42 -12.244 -4.063 10.251 349 HE2 LYS 42 HE2 LYS 42 -12.263 -6.425 10.581 350 HE3 LYS 42 HE3 LYS 42 -12.494 -5.553 12.084 351 HZ1 LYS 42 HZ1 LYS 42 -14.673 -6.840 10.511 352 HZ2 LYS 42 HZ2 LYS 42 -14.885 -6.045 11.985 353 HZ3 LYS 42 HZ3 LYS 42 -13.997 -7.462 11.935 354 H ARG 43 H ARG 43 -10.825 -2.639 11.282 355 HA ARG 43 HA ARG 43 -11.113 -1.968 14.098 356 HE ARG 43 HE ARG 43 -10.284 -5.841 14.454 357 HB2 ARG 43 HB2 ARG 43 -10.431 -4.262 13.283 358 HB3 ARG 43 HB3 ARG 43 -8.949 -3.545 12.700 359 HG2 ARG 43 HG2 ARG 43 -8.313 -2.922 14.968 360 HG3 ARG 43 HG3 ARG 43 -9.820 -3.605 15.582 361 HD2 ARG 43 HD2 ARG 43 -7.618 -5.100 14.167 362 HD3 ARG 43 HD3 ARG 43 -7.991 -5.172 15.890 363 HH11 ARG 43 HH11 ARG 43 -7.111 -7.188 15.243 364 HH12 ARG 43 HH12 ARG 43 -7.572 -8.800 14.928 365 HH21 ARG 43 HH21 ARG 43 -10.907 -8.091 14.066 366 HH22 ARG 43 HH22 ARG 43 -9.725 -9.311 14.286 367 H GLY 44 H GLY 44 -9.613 -0.831 11.327 368 HA2 GLY 44 HA2 GLY 44 -8.791 1.523 11.714 369 HA3 GLY 44 HA3 GLY 44 -7.730 0.777 12.904 370 H LEU 45 H LEU 45 -5.853 0.423 12.263 371 HA LEU 45 HA LEU 45 -5.319 0.260 9.377 372 HG LEU 45 HG LEU 45 -2.235 0.253 9.829 373 HB2 LEU 45 HB2 LEU 45 -4.401 2.256 10.418 374 HB3 LEU 45 HB3 LEU 45 -3.607 1.293 11.638 375 HD11 LEU 45 HD11 LEU 45 -3.657 0.609 7.967 376 HD12 LEU 45 HD12 LEU 45 -2.117 1.432 7.676 377 HD13 LEU 45 HD13 LEU 45 -3.549 2.353 8.156 378 HD21 LEU 45 HD21 LEU 45 -2.007 3.261 10.128 379 HD22 LEU 45 HD22 LEU 45 -0.738 2.201 9.538 380 HD23 LEU 45 HD23 LEU 45 -1.261 2.075 11.198 381 H LYS 46 H LYS 46 -4.412 -1.612 8.713 382 HA LYS 46 HA LYS 46 -2.755 -2.929 10.665 383 HB2 LYS 46 HB2 LYS 46 -4.677 -4.354 10.561 384 HB3 LYS 46 HB3 LYS 46 -4.672 -4.343 8.808 385 HG2 LYS 46 HG2 LYS 46 -2.743 -5.699 8.697 386 HG3 LYS 46 HG3 LYS 46 -2.370 -5.441 10.402 387 HD2 LYS 46 HD2 LYS 46 -4.158 -6.631 11.084 388 HD3 LYS 46 HD3 LYS 46 -4.866 -6.824 9.448 389 HE2 LYS 46 HE2 LYS 46 -2.281 -7.980 10.548 390 HE3 LYS 46 HE3 LYS 46 -3.768 -8.888 10.274 391 HZ1 LYS 46 HZ1 LYS 46 -2.261 -9.308 8.511 392 HZ2 LYS 46 HZ2 LYS 46 -2.013 -7.688 8.155 393 HZ3 LYS 46 HZ3 LYS 46 -3.510 -8.427 7.886 394 H VAL 47 H VAL 47 -0.934 -3.632 10.028 395 HA VAL 47 HA VAL 47 -0.234 -3.004 7.259 396 HB VAL 47 HB VAL 47 0.436 -1.159 8.776 397 HG11 VAL 47 HG11 VAL 47 2.415 -1.535 10.249 398 HG12 VAL 47 HG12 VAL 47 2.173 -3.257 10.020 399 HG13 VAL 47 HG13 VAL 47 0.911 -2.310 10.804 400 HG21 VAL 47 HG21 VAL 47 1.647 -1.491 6.697 401 HG22 VAL 47 HG22 VAL 47 2.718 -2.652 7.483 402 HG23 VAL 47 HG23 VAL 47 2.760 -0.954 7.957 403 H CYS 48 H CYS 48 1.118 -4.323 6.357 404 HA CYS 48 HA CYS 48 2.345 -6.363 8.031 405 HB2 CYS 48 HB2 CYS 48 1.138 -6.667 5.295 406 HB3 CYS 48 HB3 CYS 48 2.302 -7.819 5.945 407 H ALA 49 H ALA 49 4.371 -6.963 7.549 408 HA ALA 49 HA ALA 49 5.763 -5.091 5.795 409 HB1 ALA 49 HB1 ALA 49 6.743 -6.623 8.198 410 HB2 ALA 49 HB2 ALA 49 6.344 -4.902 8.116 411 HB3 ALA 49 HB3 ALA 49 7.706 -5.531 7.181 412 H ASP 50 H ASP 50 6.613 -6.050 4.102 413 HA ASP 50 HA ASP 50 6.991 -8.948 4.102 414 HB2 ASP 50 HB2 ASP 50 4.967 -8.186 2.828 415 HB3 ASP 50 HB3 ASP 50 6.005 -7.154 1.861 416 HA PRO 51 HA PRO 51 10.810 -6.732 2.989 417 HB2 PRO 51 HB2 PRO 51 12.349 -7.993 4.918 418 HB3 PRO 51 HB3 PRO 51 11.541 -6.440 5.105 419 HG2 PRO 51 HG2 PRO 51 10.941 -8.843 6.492 420 HG3 PRO 51 HG3 PRO 51 10.028 -7.331 6.526 421 HD2 PRO 51 HD2 PRO 51 9.565 -9.790 4.942 422 HD3 PRO 51 HD3 PRO 51 8.385 -8.615 5.584 423 H GLN 52 H GLN 52 12.129 -7.343 1.531 424 HA GLN 52 HA GLN 52 13.156 -8.541 -0.034 425 HB2 GLN 52 HB2 GLN 52 14.061 -10.255 2.278 426 HB3 GLN 52 HB3 GLN 52 14.901 -9.981 0.754 427 HG2 GLN 52 HG2 GLN 52 15.085 -7.583 1.336 428 HG3 GLN 52 HG3 GLN 52 14.374 -7.932 2.895 429 HE21 GLN 52 HE21 GLN 52 16.141 -7.357 4.090 430 HE22 GLN 52 HE22 GLN 52 17.637 -8.221 4.073 431 H ALA 53 H ALA 53 11.389 -9.285 -1.134 432 HA ALA 53 HA ALA 53 10.763 -12.126 -0.753 433 HB1 ALA 53 HB1 ALA 53 8.951 -10.757 0.148 434 HB2 ALA 53 HB2 ALA 53 8.434 -11.628 -1.296 435 HB3 ALA 53 HB3 ALA 53 8.821 -9.913 -1.395 436 H THR 54 H THR 54 9.084 -12.430 -2.891 437 HA THR 54 HA THR 54 10.801 -12.758 -5.025 438 HB THR 54 HB THR 54 7.785 -12.547 -5.102 439 HG1 THR 54 HG1 THR 54 8.733 -15.034 -5.019 440 HG21 THR 54 HG21 THR 54 8.008 -14.139 -6.986 441 HG22 THR 54 HG22 THR 54 9.762 -14.037 -6.844 442 HG23 THR 54 HG23 THR 54 8.836 -12.617 -7.323 443 H TRP 55 H TRP 55 8.144 -10.315 -4.719 444 HA TRP 55 HA TRP 55 9.643 -8.784 -6.696 445 HD1 TRP 55 HD1 TRP 55 5.777 -10.958 -7.144 446 HE1 TRP 55 HE1 TRP 55 6.177 -12.353 -9.259 447 HE3 TRP 55 HE3 TRP 55 9.613 -8.261 -9.168 448 HZ2 TRP 55 HZ2 TRP 55 7.895 -12.322 -11.488 449 HZ3 TRP 55 HZ3 TRP 55 10.582 -9.015 -11.295 450 HH2 TRP 55 HH2 TRP 55 9.740 -11.002 -12.433 451 HB2 TRP 55 HB2 TRP 55 6.667 -8.757 -6.223 452 HB3 TRP 55 HB3 TRP 55 7.526 -7.724 -7.365 453 H VAL 56 H VAL 56 10.887 -7.680 -5.344 454 HA VAL 56 HA VAL 56 9.522 -5.544 -3.922 455 HB VAL 56 HB VAL 56 11.411 -5.508 -2.225 456 HG11 VAL 56 HG11 VAL 56 9.756 -8.025 -2.301 457 HG12 VAL 56 HG12 VAL 56 9.252 -6.469 -1.644 458 HG13 VAL 56 HG13 VAL 56 10.557 -7.371 -0.870 459 HG21 VAL 56 HG21 VAL 56 12.045 -8.232 -3.385 460 HG22 VAL 56 HG22 VAL 56 12.764 -7.544 -1.929 461 HG23 VAL 56 HG23 VAL 56 13.067 -6.800 -3.498 462 H ARG 57 H ARG 57 10.034 -3.623 -4.639 463 HA ARG 57 HA ARG 57 12.626 -2.906 -5.644 464 HE ARG 57 HE ARG 57 10.105 -1.541 -10.017 465 HB2 ARG 57 HB2 ARG 57 11.673 -4.267 -7.501 466 HB3 ARG 57 HB3 ARG 57 10.298 -3.183 -7.559 467 HG2 ARG 57 HG2 ARG 57 11.816 -1.346 -8.172 468 HG3 ARG 57 HG3 ARG 57 13.160 -2.498 -8.182 469 HD2 ARG 57 HD2 ARG 57 12.378 -2.227 -10.431 470 HD3 ARG 57 HD3 ARG 57 11.930 -3.832 -9.872 471 HH11 ARG 57 HH11 ARG 57 10.594 -5.056 -10.124 472 HH12 ARG 57 HH12 ARG 57 9.052 -5.375 -10.761 473 HH21 ARG 57 HH21 ARG 57 7.964 -2.027 -10.918 474 HH22 ARG 57 HH22 ARG 57 7.554 -3.654 -11.228 475 H ASP 58 H ASP 58 12.695 -0.580 -5.687 476 HA ASP 58 HA ASP 58 10.345 0.628 -4.603 477 HB2 ASP 58 HB2 ASP 58 11.599 2.829 -4.666 478 HB3 ASP 58 HB3 ASP 58 12.363 1.595 -3.695 479 H VAL 59 H VAL 59 8.748 0.631 -5.782 480 HA VAL 59 HA VAL 59 8.791 1.242 -8.610 481 HB VAL 59 HB VAL 59 6.351 0.830 -8.520 482 HG11 VAL 59 HG11 VAL 59 8.011 -1.244 -7.083 483 HG12 VAL 59 HG12 VAL 59 7.873 -1.058 -8.830 484 HG13 VAL 59 HG13 VAL 59 6.468 -1.542 -7.880 485 HG21 VAL 59 HG21 VAL 59 5.889 1.746 -6.300 486 HG22 VAL 59 HG22 VAL 59 6.829 0.459 -5.558 487 HG23 VAL 59 HG23 VAL 59 5.326 0.075 -6.387 488 H VAL 60 H VAL 60 8.950 3.160 -6.073 489 HA VAL 60 HA VAL 60 7.060 5.178 -6.976 490 HB VAL 60 HB VAL 60 7.767 6.432 -4.951 491 HG11 VAL 60 HG11 VAL 60 5.877 4.889 -4.815 492 HG12 VAL 60 HG12 VAL 60 6.781 4.894 -3.301 493 HG13 VAL 60 HG13 VAL 60 6.976 3.561 -4.440 494 HG21 VAL 60 HG21 VAL 60 10.067 5.619 -4.815 495 HG22 VAL 60 HG22 VAL 60 9.482 4.002 -4.418 496 HG23 VAL 60 HG23 VAL 60 9.214 5.337 -3.299 497 HA VAL 1 HA VAL 1 2.294 0.332 21.959 498 HB VAL 1 HB VAL 1 1.527 -1.187 20.146 499 H1 VAL 1 H1 VAL 1 1.904 -1.893 23.822 500 HG11 VAL 1 HG11 VAL 1 3.580 -2.525 19.981 501 HG12 VAL 1 HG12 VAL 1 3.921 -2.197 21.680 502 HG13 VAL 1 HG13 VAL 1 3.914 -0.875 20.512 503 HG21 VAL 1 HG21 VAL 1 0.235 -2.765 21.502 504 HG22 VAL 1 HG22 VAL 1 1.716 -3.346 22.256 505 HG23 VAL 1 HG23 VAL 1 1.441 -3.609 20.534 506 H GLY 2 H GLY 2 0.287 -0.836 24.212 507 HA2 GLY 2 HA2 GLY 2 -2.216 -0.245 22.843 508 HA3 GLY 2 HA3 GLY 2 -2.046 -0.831 24.495 509 H SER 3 H SER 3 -1.331 1.980 22.495 510 HA SER 3 HA SER 3 -1.061 3.747 24.685 511 HG SER 3 HG SER 3 0.717 3.656 23.339 512 HB2 SER 3 HB2 SER 3 -1.456 4.322 21.742 513 HB3 SER 3 HB3 SER 3 -0.925 5.484 22.959 514 H GLU 4 H GLU 4 -2.749 4.110 25.977 515 HA GLU 4 HA GLU 4 -4.747 4.861 26.748 516 HB2 GLU 4 HB2 GLU 4 -4.799 6.217 24.046 517 HB3 GLU 4 HB3 GLU 4 -5.901 6.595 25.362 518 HG2 GLU 4 HG2 GLU 4 -4.068 7.355 26.730 519 HG3 GLU 4 HG3 GLU 4 -2.909 6.868 25.498 520 H VAL 5 H VAL 5 -7.173 5.333 25.507 521 HA VAL 5 HA VAL 5 -8.215 2.677 25.068 522 HB VAL 5 HB VAL 5 -10.404 3.858 24.825 523 HG11 VAL 5 HG11 VAL 5 -9.640 3.220 27.031 524 HG12 VAL 5 HG12 VAL 5 -10.496 4.762 27.105 525 HG13 VAL 5 HG13 VAL 5 -8.737 4.733 27.169 526 HG21 VAL 5 HG21 VAL 5 -9.610 5.911 23.742 527 HG22 VAL 5 HG22 VAL 5 -8.759 6.368 25.215 528 HG23 VAL 5 HG23 VAL 5 -10.521 6.290 25.206 529 H SER 6 H SER 6 -6.339 3.486 23.104 530 HA SER 6 HA SER 6 -5.903 3.579 20.939 531 HG SER 6 HG SER 6 -7.773 1.139 21.585 532 HB2 SER 6 HB2 SER 6 -8.798 2.742 20.575 533 HB3 SER 6 HB3 SER 6 -7.580 2.751 19.297 534 H ASP 7 H ASP 7 -5.476 5.738 21.195 535 HA ASP 7 HA ASP 7 -7.213 7.508 19.725 536 HB2 ASP 7 HB2 ASP 7 -8.081 7.579 22.054 537 HB3 ASP 7 HB3 ASP 7 -6.477 7.999 22.627 538 H LYS 8 H LYS 8 -6.091 9.573 19.314 539 HA LYS 8 HA LYS 8 -4.349 10.723 18.429 540 HB2 LYS 8 HB2 LYS 8 -2.709 9.290 20.533 541 HB3 LYS 8 HB3 LYS 8 -1.960 10.390 19.428 542 HG2 LYS 8 HG2 LYS 8 -2.255 11.556 21.429 543 HG3 LYS 8 HG3 LYS 8 -3.522 12.158 20.360 544 HD2 LYS 8 HD2 LYS 8 -5.088 10.676 21.371 545 HD3 LYS 8 HD3 LYS 8 -3.800 10.012 22.379 546 HE2 LYS 8 HE2 LYS 8 -3.479 12.216 23.428 547 HE3 LYS 8 HE3 LYS 8 -4.779 12.872 22.438 548 HZ1 LYS 8 HZ1 LYS 8 -5.622 12.295 24.635 549 HZ2 LYS 8 HZ2 LYS 8 -5.037 10.721 24.452 550 HZ3 LYS 8 HZ3 LYS 8 -6.270 11.261 23.452 551 H ARG 9 H ARG 9 -1.881 10.242 17.573 552 HA ARG 9 HA ARG 9 -2.334 8.299 15.500 553 HE ARG 9 HE ARG 9 -1.474 12.841 13.135 554 HB2 ARG 9 HB2 ARG 9 0.163 9.894 16.106 555 HB3 ARG 9 HB3 ARG 9 -0.234 9.025 14.620 556 HG2 ARG 9 HG2 ARG 9 -1.937 10.577 14.081 557 HG3 ARG 9 HG3 ARG 9 -1.800 11.365 15.652 558 HD2 ARG 9 HD2 ARG 9 0.507 11.981 15.109 559 HD3 ARG 9 HD3 ARG 9 0.319 11.232 13.526 560 HH11 ARG 9 HH11 ARG 9 1.052 13.614 15.546 561 HH12 ARG 9 HH12 ARG 9 0.942 15.296 15.297 562 HH21 ARG 9 HH21 ARG 9 -1.575 15.208 12.849 563 HH22 ARG 9 HH22 ARG 9 -0.538 16.205 13.765 564 H THR 10 H THR 10 -2.048 6.198 15.985 565 HA THR 10 HA THR 10 -0.111 5.432 17.968 566 HB THR 10 HB THR 10 -1.147 3.139 17.532 567 HG1 THR 10 HG1 THR 10 -3.154 3.200 16.468 568 HG21 THR 10 HG21 THR 10 -3.206 3.676 18.775 569 HG22 THR 10 HG22 THR 10 -2.955 5.388 18.429 570 HG23 THR 10 HG23 THR 10 -1.805 4.515 19.444 571 H CYS 11 H CYS 11 1.679 4.072 17.519 572 HA CYS 11 HA CYS 11 2.198 3.497 14.697 573 HB2 CYS 11 HB2 CYS 11 4.127 4.986 16.502 574 HB3 CYS 11 HB3 CYS 11 4.456 4.416 14.877 575 H VAL 12 H VAL 12 3.651 1.801 14.468 576 HA VAL 12 HA VAL 12 4.985 0.660 16.829 577 HB VAL 12 HB VAL 12 3.207 -1.033 14.996 578 HG11 VAL 12 HG11 VAL 12 5.018 -1.947 17.238 579 HG12 VAL 12 HG12 VAL 12 5.265 -2.253 15.518 580 HG13 VAL 12 HG13 VAL 12 3.885 -2.969 16.356 581 HG21 VAL 12 HG21 VAL 12 1.996 -1.599 17.057 582 HG22 VAL 12 HG22 VAL 12 1.985 0.139 16.773 583 HG23 VAL 12 HG23 VAL 12 3.071 -0.550 17.975 584 H SER 13 H SER 13 6.980 -0.275 16.403 585 HA SER 13 HA SER 13 7.886 -0.193 13.623 586 HG SER 13 HG SER 13 10.115 -0.286 13.463 587 HB2 SER 13 HB2 SER 13 9.097 1.228 15.330 588 HB3 SER 13 HB3 SER 13 9.554 -0.262 16.139 589 H LEU 14 H LEU 14 8.503 -1.996 12.664 590 HA LEU 14 HA LEU 14 8.528 -4.450 14.238 591 HG LEU 14 HG LEU 14 5.926 -5.364 11.737 592 HB2 LEU 14 HB2 LEU 14 7.955 -4.030 11.311 593 HB3 LEU 14 HB3 LEU 14 8.242 -5.603 12.009 594 HD11 LEU 14 HD11 LEU 14 6.650 -6.465 13.727 595 HD12 LEU 14 HD12 LEU 14 5.107 -5.654 13.998 596 HD13 LEU 14 HD13 LEU 14 6.600 -4.953 14.628 597 HD21 LEU 14 HD21 LEU 14 5.773 -2.934 11.558 598 HD22 LEU 14 HD22 LEU 14 6.102 -2.778 13.282 599 HD23 LEU 14 HD23 LEU 14 4.603 -3.541 12.735 600 H THR 15 H THR 15 10.434 -5.259 14.625 601 HA THR 15 HA THR 15 12.609 -4.627 12.851 602 HB THR 15 HB THR 15 13.953 -5.931 14.556 603 HG1 THR 15 HG1 THR 15 12.072 -7.126 15.294 604 HG21 THR 15 HG21 THR 15 12.282 -3.647 15.609 605 HG22 THR 15 HG22 THR 15 13.774 -3.491 14.684 606 HG23 THR 15 HG23 THR 15 13.807 -4.199 16.300 607 H THR 16 H THR 16 12.838 -5.813 11.179 608 HA THR 16 HA THR 16 12.580 -8.697 11.319 609 HB THR 16 HB THR 16 10.383 -7.967 10.530 610 HG1 THR 16 HG1 THR 16 10.438 -9.586 9.135 611 HG21 THR 16 HG21 THR 16 10.093 -6.614 8.493 612 HG22 THR 16 HG22 THR 16 11.848 -6.459 8.349 613 HG23 THR 16 HG23 THR 16 11.006 -5.736 9.718 614 H GLN 17 H GLN 17 13.091 -9.213 8.638 615 HA GLN 17 HA GLN 17 15.902 -8.641 8.558 616 HB2 GLN 17 HB2 GLN 17 15.046 -10.855 7.904 617 HB3 GLN 17 HB3 GLN 17 14.183 -10.132 6.559 618 HG2 GLN 17 HG2 GLN 17 16.303 -9.499 5.530 619 HG3 GLN 17 HG3 GLN 17 17.176 -10.193 6.896 620 HE21 GLN 17 HE21 GLN 17 18.252 -11.652 5.568 621 HE22 GLN 17 HE22 GLN 17 17.473 -13.028 4.896 622 H ARG 18 H ARG 18 16.004 -6.483 8.334 623 HA ARG 18 HA ARG 18 15.334 -5.420 5.705 624 HE ARG 18 HE ARG 18 14.623 -0.592 5.644 625 HB2 ARG 18 HB2 ARG 18 13.741 -4.534 7.208 626 HB3 ARG 18 HB3 ARG 18 14.961 -4.193 8.423 627 HG2 ARG 18 HG2 ARG 18 14.091 -2.195 7.379 628 HG3 ARG 18 HG3 ARG 18 15.819 -2.365 7.067 629 HD2 ARG 18 HD2 ARG 18 15.268 -3.253 4.815 630 HD3 ARG 18 HD3 ARG 18 13.555 -2.985 5.152 631 HH11 ARG 18 HH11 ARG 18 14.899 -2.705 2.785 632 HH12 ARG 18 HH12 ARG 18 15.150 -1.419 1.695 633 HH21 ARG 18 HH21 ARG 18 14.969 1.145 4.081 634 HH22 ARG 18 HH22 ARG 18 15.165 0.777 2.427 635 H LEU 19 H LEU 19 17.031 -4.842 4.648 636 HA LEU 19 HA LEU 19 19.565 -4.463 5.855 637 HG LEU 19 HG LEU 19 18.515 -2.718 2.565 638 HB2 LEU 19 HB2 LEU 19 20.384 -4.001 3.588 639 HB3 LEU 19 HB3 LEU 19 19.392 -5.431 3.594 640 HD11 LEU 19 HD11 LEU 19 20.279 -3.663 1.201 641 HD12 LEU 19 HD12 LEU 19 18.735 -3.729 0.352 642 HD13 LEU 19 HD13 LEU 19 19.396 -5.188 1.089 643 HD21 LEU 19 HD21 LEU 19 16.683 -3.975 1.515 644 HD22 LEU 19 HD22 LEU 19 16.582 -4.037 3.264 645 HD23 LEU 19 HD23 LEU 19 17.184 -5.437 2.357 646 HA PRO 20 HA PRO 20 19.209 -0.325 6.951 647 HB2 PRO 20 HB2 PRO 20 21.720 0.640 6.575 648 HB3 PRO 20 HB3 PRO 20 21.255 -0.407 7.918 649 HG2 PRO 20 HG2 PRO 20 22.632 -1.095 5.365 650 HG3 PRO 20 HG3 PRO 20 22.926 -1.706 7.002 651 HD2 PRO 20 HD2 PRO 20 21.528 -3.059 5.111 652 HD3 PRO 20 HD3 PRO 20 21.224 -3.256 6.857 653 H VAL 21 H VAL 21 18.835 1.633 6.292 654 HA VAL 21 HA VAL 21 19.598 2.500 3.629 655 HB VAL 21 HB VAL 21 17.197 1.759 3.599 656 HG11 VAL 21 HG11 VAL 21 16.744 3.923 5.634 657 HG12 VAL 21 HG12 VAL 21 16.561 2.185 5.872 658 HG13 VAL 21 HG13 VAL 21 15.481 3.043 4.775 659 HG21 VAL 21 HG21 VAL 21 16.231 3.799 2.599 660 HG22 VAL 21 HG22 VAL 21 17.872 3.485 2.037 661 HG23 VAL 21 HG23 VAL 21 17.577 4.733 3.247 662 H SER 22 H SER 22 20.148 4.717 3.571 663 HA SER 22 HA SER 22 20.861 5.721 6.152 664 HG SER 22 HG SER 22 22.257 6.741 2.544 665 HB2 SER 22 HB2 SER 22 22.043 7.475 4.789 666 HB3 SER 22 HB3 SER 22 22.536 5.812 4.478 667 H ARG 23 H ARG 23 18.183 6.198 4.137 668 HA ARG 23 HA ARG 23 17.534 8.655 5.588 669 HE ARG 23 HE ARG 23 17.272 8.886 0.921 670 HB2 ARG 23 HB2 ARG 23 16.876 8.091 2.710 671 HB3 ARG 23 HB3 ARG 23 16.292 9.466 3.635 672 HG2 ARG 23 HG2 ARG 23 18.675 10.122 4.009 673 HG3 ARG 23 HG3 ARG 23 19.130 8.852 2.876 674 HD2 ARG 23 HD2 ARG 23 17.302 11.124 2.352 675 HD3 ARG 23 HD3 ARG 23 18.988 11.055 1.816 676 HH11 ARG 23 HH11 ARG 23 18.605 12.072 0.079 677 HH12 ARG 23 HH12 ARG 23 18.301 11.891 -1.574 678 HH21 ARG 23 HH21 ARG 23 16.867 8.678 -1.328 679 HH22 ARG 23 HH22 ARG 23 17.335 9.918 -2.411 680 H ILE 24 H ILE 24 15.357 8.916 6.178 681 HA ILE 24 HA ILE 24 13.911 6.398 6.353 682 HB ILE 24 HB ILE 24 13.363 9.079 7.666 683 HG12 ILE 24 HG12 ILE 24 15.440 8.095 8.514 684 HG13 ILE 24 HG13 ILE 24 14.189 8.032 9.747 685 HG21 ILE 24 HG21 ILE 24 12.090 6.389 8.186 686 HG22 ILE 24 HG22 ILE 24 11.328 7.778 7.410 687 HG23 ILE 24 HG23 ILE 24 11.793 7.866 9.107 688 HD11 ILE 24 HD11 ILE 24 15.120 5.739 8.022 689 HD12 ILE 24 HD12 ILE 24 13.831 5.662 9.225 690 HD13 ILE 24 HD13 ILE 24 15.485 5.994 9.726 691 H LYS 25 H LYS 25 12.471 6.000 4.864 692 HA LYS 25 HA LYS 25 11.474 8.207 3.245 693 HB2 LYS 25 HB2 LYS 25 10.939 5.239 2.786 694 HB3 LYS 25 HB3 LYS 25 10.675 6.621 1.724 695 HG2 LYS 25 HG2 LYS 25 13.391 5.775 2.628 696 HG3 LYS 25 HG3 LYS 25 12.640 5.278 1.110 697 HD2 LYS 25 HD2 LYS 25 12.927 8.105 1.947 698 HD3 LYS 25 HD3 LYS 25 14.190 7.308 0.987 699 HE2 LYS 25 HE2 LYS 25 11.283 7.791 0.221 700 HE3 LYS 25 HE3 LYS 25 12.676 8.659 -0.400 701 HZ1 LYS 25 HZ1 LYS 25 13.466 6.567 -1.381 702 HZ2 LYS 25 HZ2 LYS 25 11.961 7.010 -1.960 703 HZ3 LYS 25 HZ3 LYS 25 12.069 5.768 -0.868 704 H THR 26 H THR 26 9.511 8.969 3.296 705 HA THR 26 HA THR 26 7.583 7.883 5.271 706 HB THR 26 HB THR 26 6.743 10.249 5.203 707 HG1 THR 26 HG1 THR 26 7.849 10.651 3.156 708 HG21 THR 26 HG21 THR 26 9.628 9.887 6.049 709 HG22 THR 26 HG22 THR 26 8.215 9.488 7.025 710 HG23 THR 26 HG23 THR 26 8.550 11.167 6.605 711 H TYR 27 H TYR 27 5.790 7.094 4.488 712 HA TYR 27 HA TYR 27 4.886 8.036 1.880 713 HD1 TYR 27 HD1 TYR 27 5.000 6.672 -0.487 714 HD2 TYR 27 HD2 TYR 27 7.393 5.032 2.584 715 HE1 TYR 27 HE1 TYR 27 6.912 6.727 -1.989 716 HE2 TYR 27 HE2 TYR 27 9.351 5.059 1.113 717 HH TYR 27 HH TYR 27 9.905 5.126 -1.252 718 HB2 TYR 27 HB2 TYR 27 5.029 5.174 2.794 719 HB3 TYR 27 HB3 TYR 27 4.019 5.711 1.441 720 H THR 28 H THR 28 2.966 8.667 1.783 721 HA THR 28 HA THR 28 1.334 8.118 4.140 722 HB THR 28 HB THR 28 0.285 10.369 3.852 723 HG1 THR 28 HG1 THR 28 2.247 10.543 1.808 724 HG21 THR 28 HG21 THR 28 3.304 10.476 3.957 725 HG22 THR 28 HG22 THR 28 2.280 10.093 5.323 726 HG23 THR 28 HG23 THR 28 2.206 11.698 4.593 727 H ILE 29 H ILE 29 -0.644 7.324 3.894 728 HA ILE 29 HA ILE 29 -1.979 7.556 1.301 729 HB ILE 29 HB ILE 29 -1.668 5.000 2.902 730 HG12 ILE 29 HG12 ILE 29 -0.878 5.693 0.064 731 HG13 ILE 29 HG13 ILE 29 0.218 5.509 1.424 732 HG21 ILE 29 HG21 ILE 29 -3.142 3.909 1.248 733 HG22 ILE 29 HG22 ILE 29 -3.453 5.479 0.507 734 HG23 ILE 29 HG23 ILE 29 -3.984 5.161 2.154 735 HD11 ILE 29 HD11 ILE 29 0.261 3.567 0.004 736 HD12 ILE 29 HD12 ILE 29 -1.487 3.367 0.208 737 HD13 ILE 29 HD13 ILE 29 -0.414 3.162 1.588 738 H THR 30 H THR 30 -3.957 8.370 1.598 739 HA THR 30 HA THR 30 -5.176 7.795 4.153 740 HB THR 30 HB THR 30 -4.699 10.218 3.974 741 HG1 THR 30 HG1 THR 30 -6.759 9.297 4.892 742 HG21 THR 30 HG21 THR 30 -6.526 10.148 1.572 743 HG22 THR 30 HG22 THR 30 -4.789 10.455 1.532 744 HG23 THR 30 HG23 THR 30 -5.874 11.605 2.319 745 H GLU 31 H GLU 31 -7.217 7.201 4.192 746 HA GLU 31 HA GLU 31 -8.570 6.570 1.684 747 HB2 GLU 31 HB2 GLU 31 -7.200 4.630 2.081 748 HB3 GLU 31 HB3 GLU 31 -7.712 4.549 3.759 749 HG2 GLU 31 HG2 GLU 31 -8.718 2.839 2.369 750 HG3 GLU 31 HG3 GLU 31 -9.895 3.902 3.123 751 H GLY 32 H GLY 32 -10.547 7.329 1.913 752 HA2 GLY 32 HA2 GLY 32 -12.678 7.623 2.752 753 HA3 GLY 32 HA3 GLY 32 -12.227 6.623 4.131 754 H SER 33 H SER 33 -10.957 7.578 5.722 755 HA SER 33 HA SER 33 -10.608 10.443 5.838 756 HG SER 33 HG SER 33 -12.923 10.357 5.657 757 HB2 SER 33 HB2 SER 33 -12.293 9.040 7.952 758 HB3 SER 33 HB3 SER 33 -11.820 10.736 7.974 759 H LEU 34 H LEU 34 -9.592 7.327 6.376 760 HA LEU 34 HA LEU 34 -8.096 7.679 8.785 761 HG LEU 34 HG LEU 34 -6.383 5.309 7.584 762 HB2 LEU 34 HB2 LEU 34 -9.154 5.664 8.511 763 HB3 LEU 34 HB3 LEU 34 -8.734 5.519 6.809 764 HD11 LEU 34 HD11 LEU 34 -6.012 4.422 9.876 765 HD12 LEU 34 HD12 LEU 34 -7.698 4.784 10.253 766 HD13 LEU 34 HD13 LEU 34 -6.579 6.093 9.868 767 HD21 LEU 34 HD21 LEU 34 -7.659 3.480 6.694 768 HD22 LEU 34 HD22 LEU 34 -8.320 3.107 8.282 769 HD23 LEU 34 HD23 LEU 34 -6.588 2.888 7.958 770 H ARG 35 H ARG 35 -5.852 7.977 8.719 771 HA ARG 35 HA ARG 35 -4.661 7.800 6.077 772 HE ARG 35 HE ARG 35 -3.339 11.801 8.213 773 HB2 ARG 35 HB2 ARG 35 -5.061 10.132 6.496 774 HB3 ARG 35 HB3 ARG 35 -4.277 10.023 8.061 775 HG2 ARG 35 HG2 ARG 35 -2.146 9.776 7.070 776 HG3 ARG 35 HG3 ARG 35 -2.846 9.521 5.468 777 HD2 ARG 35 HD2 ARG 35 -1.978 11.806 5.740 778 HD3 ARG 35 HD3 ARG 35 -3.720 11.717 5.437 779 HH11 ARG 35 HH11 ARG 35 -2.842 13.986 5.477 780 HH12 ARG 35 HH12 ARG 35 -3.170 15.390 6.366 781 HH21 ARG 35 HH21 ARG 35 -3.774 13.582 9.387 782 HH22 ARG 35 HH22 ARG 35 -3.739 15.177 8.750 783 H ALA 36 H ALA 36 -2.797 6.772 5.913 784 HA ALA 36 HA ALA 36 -1.548 5.867 8.412 785 HB1 ALA 36 HB1 ALA 36 -2.669 4.075 7.194 786 HB2 ALA 36 HB2 ALA 36 -0.920 3.845 7.200 787 HB3 ALA 36 HB3 ALA 36 -1.727 4.461 5.754 788 H VAL 37 H VAL 37 0.666 5.904 8.521 789 HA VAL 37 HA VAL 37 2.110 6.996 6.217 790 HB VAL 37 HB VAL 37 2.662 7.740 9.116 791 HG11 VAL 37 HG11 VAL 37 4.327 9.288 8.180 792 HG12 VAL 37 HG12 VAL 37 3.984 8.672 6.565 793 HG13 VAL 37 HG13 VAL 37 4.698 7.611 7.777 794 HG21 VAL 37 HG21 VAL 37 0.694 8.916 8.323 795 HG22 VAL 37 HG22 VAL 37 1.577 9.330 6.844 796 HG23 VAL 37 HG23 VAL 37 2.097 10.019 8.374 797 H ILE 38 H ILE 38 3.736 5.810 5.626 798 HA ILE 38 HA ILE 38 4.688 3.698 7.369 799 HB ILE 38 HB ILE 38 4.632 4.137 4.398 800 HG12 ILE 38 HG12 ILE 38 3.539 1.913 6.093 801 HG13 ILE 38 HG13 ILE 38 2.617 3.279 5.468 802 HG21 ILE 38 HG21 ILE 38 6.048 1.890 5.813 803 HG22 ILE 38 HG22 ILE 38 6.815 3.206 4.905 804 HG23 ILE 38 HG23 ILE 38 5.765 2.061 4.073 805 HD11 ILE 38 HD11 ILE 38 2.893 2.634 3.325 806 HD12 ILE 38 HD12 ILE 38 2.391 1.182 4.168 807 HD13 ILE 38 HD13 ILE 38 4.098 1.367 3.684 808 H PHE 39 H PHE 39 6.680 3.885 8.152 809 HA PHE 39 HA PHE 39 8.507 5.804 6.915 810 HD1 PHE 39 HD1 PHE 39 6.197 5.723 10.279 811 HD2 PHE 39 HD2 PHE 39 9.332 8.143 8.739 812 HE1 PHE 39 HE1 PHE 39 4.982 7.740 10.979 813 HE2 PHE 39 HE2 PHE 39 8.113 10.169 9.433 814 HZ PHE 39 HZ PHE 39 5.939 9.965 10.557 815 HB2 PHE 39 HB2 PHE 39 8.304 4.811 9.755 816 HB3 PHE 39 HB3 PHE 39 9.666 5.767 9.165 817 H ILE 40 H ILE 40 9.916 4.866 5.810 818 HA ILE 40 HA ILE 40 10.551 2.065 6.233 819 HB ILE 40 HB ILE 40 11.600 4.036 4.215 820 HG12 ILE 40 HG12 ILE 40 9.249 3.758 3.663 821 HG13 ILE 40 HG13 ILE 40 10.209 2.721 2.613 822 HG21 ILE 40 HG21 ILE 40 12.346 2.036 2.952 823 HG22 ILE 40 HG22 ILE 40 11.970 1.071 4.392 824 HG23 ILE 40 HG23 ILE 40 13.188 2.329 4.467 825 HD11 ILE 40 HD11 ILE 40 9.600 0.804 3.717 826 HD12 ILE 40 HD12 ILE 40 8.142 1.735 3.396 827 HD13 ILE 40 HD13 ILE 40 8.793 1.718 5.030 828 H THR 41 H THR 41 12.066 1.599 7.674 829 HA THR 41 HA THR 41 14.152 3.572 8.019 830 HB THR 41 HB THR 41 12.688 3.547 9.986 831 HG1 THR 41 HG1 THR 41 14.263 3.352 11.513 832 HG21 THR 41 HG21 THR 41 11.843 1.259 9.857 833 HG22 THR 41 HG22 THR 41 12.530 1.577 11.449 834 HG23 THR 41 HG23 THR 41 13.439 0.635 10.267 835 H LYS 42 H LYS 42 15.929 2.314 9.414 836 HA LYS 42 HA LYS 42 17.093 0.652 7.356 837 HB2 LYS 42 HB2 LYS 42 19.237 0.937 8.442 838 HB3 LYS 42 HB3 LYS 42 18.426 2.483 8.347 839 HG2 LYS 42 HG2 LYS 42 18.634 0.751 10.817 840 HG3 LYS 42 HG3 LYS 42 19.650 2.141 10.454 841 HD2 LYS 42 HD2 LYS 42 17.647 3.587 10.527 842 HD3 LYS 42 HD3 LYS 42 16.668 2.166 10.874 843 HE2 LYS 42 HE2 LYS 42 17.095 3.348 12.908 844 HE3 LYS 42 HE3 LYS 42 17.896 1.787 12.911 845 HZ1 LYS 42 HZ1 LYS 42 20.004 2.877 12.410 846 HZ2 LYS 42 HZ2 LYS 42 19.344 3.555 13.790 847 HZ3 LYS 42 HZ3 LYS 42 19.256 4.383 12.331 848 H ARG 43 H ARG 43 15.892 0.104 10.623 849 HA ARG 43 HA ARG 43 17.108 -2.562 10.537 850 HE ARG 43 HE ARG 43 18.811 -1.382 13.877 851 HB2 ARG 43 HB2 ARG 43 17.494 -1.039 12.533 852 HB3 ARG 43 HB3 ARG 43 15.784 -1.209 12.880 853 HG2 ARG 43 HG2 ARG 43 16.041 -3.561 13.283 854 HG3 ARG 43 HG3 ARG 43 17.746 -3.486 12.828 855 HD2 ARG 43 HD2 ARG 43 16.451 -2.066 15.164 856 HD3 ARG 43 HD3 ARG 43 17.520 -3.465 15.255 857 HH11 ARG 43 HH11 ARG 43 17.865 -2.273 17.158 858 HH12 ARG 43 HH12 ARG 43 19.067 -1.341 17.917 859 HH21 ARG 43 HH21 ARG 43 20.438 -0.041 14.913 860 HH22 ARG 43 HH22 ARG 43 20.557 -0.036 16.609 861 H GLY 44 H GLY 44 14.261 -1.073 9.800 862 HA2 GLY 44 HA2 GLY 44 12.960 -3.441 9.151 863 HA3 GLY 44 HA3 GLY 44 12.423 -3.025 10.763 864 H LEU 45 H LEU 45 10.491 -2.475 10.491 865 HA LEU 45 HA LEU 45 9.678 -0.403 8.512 866 HG LEU 45 HG LEU 45 6.611 -0.767 9.208 867 HB2 LEU 45 HB2 LEU 45 8.685 -2.609 8.019 868 HB3 LEU 45 HB3 LEU 45 8.095 -2.724 9.661 869 HD11 LEU 45 HD11 LEU 45 7.531 -1.118 6.375 870 HD12 LEU 45 HD12 LEU 45 7.827 0.275 7.417 871 HD13 LEU 45 HD13 LEU 45 6.182 -0.114 6.897 872 HD21 LEU 45 HD21 LEU 45 4.953 -1.989 7.902 873 HD22 LEU 45 HD22 LEU 45 5.713 -3.082 9.043 874 HD23 LEU 45 HD23 LEU 45 6.172 -3.106 7.340 875 H LYS 46 H LYS 46 8.533 1.317 9.327 876 HA LYS 46 HA LYS 46 7.602 1.111 12.080 877 HB2 LYS 46 HB2 LYS 46 9.611 2.477 12.095 878 HB3 LYS 46 HB3 LYS 46 9.039 3.461 10.775 879 HG2 LYS 46 HG2 LYS 46 8.819 4.693 12.851 880 HG3 LYS 46 HG3 LYS 46 7.197 4.269 12.290 881 HD2 LYS 46 HD2 LYS 46 7.169 2.384 13.858 882 HD3 LYS 46 HD3 LYS 46 8.801 2.832 14.365 883 HE2 LYS 46 HE2 LYS 46 6.396 4.618 14.611 884 HE3 LYS 46 HE3 LYS 46 7.018 3.616 15.925 885 HZ1 LYS 46 HZ1 LYS 46 8.440 5.858 14.568 886 HZ2 LYS 46 HZ2 LYS 46 9.101 4.872 15.769 887 HZ3 LYS 46 HZ3 LYS 46 7.787 5.858 16.122 888 H VAL 47 H VAL 47 5.493 1.422 12.144 889 HA VAL 47 HA VAL 47 4.256 2.708 9.818 890 HB VAL 47 HB VAL 47 3.775 0.290 10.000 891 HG11 VAL 47 HG11 VAL 47 2.532 1.032 12.634 892 HG12 VAL 47 HG12 VAL 47 3.901 -0.036 12.383 893 HG13 VAL 47 HG13 VAL 47 2.284 -0.522 11.854 894 HG21 VAL 47 HG21 VAL 47 2.144 1.735 8.928 895 HG22 VAL 47 HG22 VAL 47 1.397 2.086 10.484 896 HG23 VAL 47 HG23 VAL 47 1.315 0.457 9.818 897 H CYS 48 H CYS 48 2.757 4.257 10.143 898 HA CYS 48 HA CYS 48 1.951 4.773 12.886 899 HB2 CYS 48 HB2 CYS 48 3.103 6.726 10.945 900 HB3 CYS 48 HB3 CYS 48 2.006 7.254 12.216 901 H ALA 49 H ALA 49 -0.037 5.378 13.196 902 HA ALA 49 HA ALA 49 -1.757 5.616 10.813 903 HB1 ALA 49 HB1 ALA 49 -3.573 4.817 12.236 904 HB2 ALA 49 HB2 ALA 49 -2.464 4.715 13.606 905 HB3 ALA 49 HB3 ALA 49 -2.241 3.660 12.211 906 H ASP 50 H ASP 50 -2.593 7.511 10.516 907 HA ASP 50 HA ASP 50 -2.768 9.412 12.716 908 HB2 ASP 50 HB2 ASP 50 -1.334 10.185 10.868 909 HB3 ASP 50 HB3 ASP 50 -2.625 9.876 9.717 910 HA PRO 51 HA PRO 51 -7.032 8.210 12.075 911 HB2 PRO 51 HB2 PRO 51 -8.005 9.354 14.324 912 HB3 PRO 51 HB3 PRO 51 -7.165 7.801 14.329 913 HG2 PRO 51 HG2 PRO 51 -6.123 10.518 15.015 914 HG3 PRO 51 HG3 PRO 51 -5.842 8.975 15.840 915 HD2 PRO 51 HD2 PRO 51 -4.049 10.074 14.158 916 HD3 PRO 51 HD3 PRO 51 -4.236 8.316 14.334 917 H GLN 52 H GLN 52 -8.440 9.196 10.905 918 HA GLN 52 HA GLN 52 -9.563 10.689 9.758 919 HB2 GLN 52 HB2 GLN 52 -9.944 11.839 12.484 920 HB3 GLN 52 HB3 GLN 52 -10.899 12.270 11.067 921 HG2 GLN 52 HG2 GLN 52 -11.552 9.928 10.820 922 HG3 GLN 52 HG3 GLN 52 -10.654 9.538 12.274 923 HE21 GLN 52 HE21 GLN 52 -12.471 8.847 13.365 924 HE22 GLN 52 HE22 GLN 52 -13.672 9.920 13.961 925 H ALA 53 H ALA 53 -8.256 11.542 8.388 926 HA ALA 53 HA ALA 53 -6.797 13.963 8.914 927 HB1 ALA 53 HB1 ALA 53 -6.374 13.932 6.483 928 HB2 ALA 53 HB2 ALA 53 -7.499 12.584 6.315 929 HB3 ALA 53 HB3 ALA 53 -6.003 12.375 7.226 930 H THR 54 H THR 54 -7.421 16.040 8.198 931 HA THR 54 HA THR 54 -10.230 16.489 8.161 932 HB THR 54 HB THR 54 -7.928 18.403 7.641 933 HG1 THR 54 HG1 THR 54 -8.987 17.224 9.857 934 HG21 THR 54 HG21 THR 54 -9.548 20.168 8.230 935 HG22 THR 54 HG22 THR 54 -10.818 18.954 8.399 936 HG23 THR 54 HG23 THR 54 -10.098 19.268 6.818 937 H TRP 55 H TRP 55 -7.642 16.429 5.812 938 HA TRP 55 HA TRP 55 -9.581 16.870 3.688 939 HD1 TRP 55 HD1 TRP 55 -5.740 18.716 5.019 940 HE1 TRP 55 HE1 TRP 55 -6.362 21.200 5.269 941 HE3 TRP 55 HE3 TRP 55 -9.874 18.825 2.012 942 HZ2 TRP 55 HZ2 TRP 55 -8.342 22.957 4.333 943 HZ3 TRP 55 HZ3 TRP 55 -11.082 20.948 1.751 944 HH2 TRP 55 HH2 TRP 55 -10.335 22.971 2.885 945 HB2 TRP 55 HB2 TRP 55 -6.557 16.756 3.557 946 HB3 TRP 55 HB3 TRP 55 -7.633 17.173 2.224 947 H VAL 56 H VAL 56 -10.517 15.118 3.092 948 HA VAL 56 HA VAL 56 -9.331 12.535 3.671 949 HB VAL 56 HB VAL 56 -11.557 11.620 3.269 950 HG11 VAL 56 HG11 VAL 56 -10.987 12.460 5.488 951 HG12 VAL 56 HG12 VAL 56 -12.700 12.698 5.146 952 HG13 VAL 56 HG13 VAL 56 -11.582 14.058 5.042 953 HG21 VAL 56 HG21 VAL 56 -13.468 13.106 2.815 954 HG22 VAL 56 HG22 VAL 56 -12.299 13.146 1.496 955 HG23 VAL 56 HG23 VAL 56 -12.368 14.472 2.653 956 H ARG 57 H ARG 57 -9.242 14.508 1.095 957 HA ARG 57 HA ARG 57 -9.865 12.922 -1.127 958 HE ARG 57 HE ARG 57 -6.266 15.882 -2.043 959 HB2 ARG 57 HB2 ARG 57 -9.320 15.331 -1.275 960 HB3 ARG 57 HB3 ARG 57 -7.644 14.969 -0.891 961 HG2 ARG 57 HG2 ARG 57 -7.490 13.622 -2.946 962 HG3 ARG 57 HG3 ARG 57 -9.151 14.060 -3.333 963 HD2 ARG 57 HD2 ARG 57 -7.641 15.469 -4.575 964 HD3 ARG 57 HD3 ARG 57 -8.473 16.441 -3.365 965 HH11 ARG 57 HH11 ARG 57 -6.543 16.771 -5.465 966 HH12 ARG 57 HH12 ARG 57 -5.049 17.563 -5.532 967 HH21 ARG 57 HH21 ARG 57 -4.210 16.949 -2.132 968 HH22 ARG 57 HH22 ARG 57 -3.678 17.660 -3.601 969 H ASP 58 H ASP 58 -9.079 10.997 -1.632 970 HA ASP 58 HA ASP 58 -6.754 9.940 -0.421 971 HB2 ASP 58 HB2 ASP 58 -7.087 7.943 -1.827 972 HB3 ASP 58 HB3 ASP 58 -8.577 8.439 -1.046 973 H VAL 59 H VAL 59 -4.780 9.723 -1.075 974 HA VAL 59 HA VAL 59 -3.971 11.361 -3.353 975 HB VAL 59 HB VAL 59 -1.731 11.355 -2.319 976 HG11 VAL 59 HG11 VAL 59 -3.304 13.107 -1.721 977 HG12 VAL 59 HG12 VAL 59 -2.287 12.696 -0.339 978 HG13 VAL 59 HG13 VAL 59 -3.947 12.104 -0.419 979 HG21 VAL 59 HG21 VAL 59 -3.032 9.726 -0.120 980 HG22 VAL 59 HG22 VAL 59 -1.410 10.414 -0.063 981 HG23 VAL 59 HG23 VAL 59 -1.795 9.157 -1.241 982 H VAL 60 H VAL 60 -4.826 8.366 -3.240 983 HA VAL 60 HA VAL 60 -2.421 7.237 -4.367 984 HB VAL 60 HB VAL 60 -3.681 5.025 -4.197 985 HG11 VAL 60 HG11 VAL 60 -3.317 4.849 -1.768 986 HG12 VAL 60 HG12 VAL 60 -3.235 6.611 -1.663 987 HG13 VAL 60 HG13 VAL 60 -2.001 5.718 -2.556 988 HG21 VAL 60 HG21 VAL 60 -5.614 4.961 -2.647 989 HG22 VAL 60 HG22 VAL 60 -5.969 5.935 -4.077 990 HG23 VAL 60 HG23 VAL 60 -5.573 6.716 -2.546 Start of MODEL 10 1 HA VAL 1 HA VAL 1 3.413 -1.790 23.798 2 HB VAL 1 HB VAL 1 4.613 -1.637 21.643 3 H1 VAL 1 H1 VAL 1 5.986 -1.100 25.066 4 H2 VAL 1 H2 VAL 1 4.591 -1.633 25.833 5 H3 VAL 1 H3 VAL 1 4.584 -0.138 25.075 6 HG11 VAL 1 HG11 VAL 1 4.811 0.795 21.484 7 HG12 VAL 1 HG12 VAL 1 4.795 0.912 23.241 8 HG13 VAL 1 HG13 VAL 1 3.376 0.312 22.385 9 HG21 VAL 1 HG21 VAL 1 6.833 -0.591 21.499 10 HG22 VAL 1 HG22 VAL 1 6.893 -2.091 22.424 11 HG23 VAL 1 HG23 VAL 1 6.922 -0.537 23.260 12 H GLY 2 H GLY 2 3.615 -3.732 22.398 13 HA2 GLY 2 HA2 GLY 2 5.409 -5.677 23.675 14 HA3 GLY 2 HA3 GLY 2 3.833 -6.058 22.986 15 H SER 3 H SER 3 6.771 -4.405 21.957 16 HA SER 3 HA SER 3 6.617 -5.872 19.429 17 HG SER 3 HG SER 3 5.355 -3.957 18.601 18 HB2 SER 3 HB2 SER 3 7.693 -3.088 19.951 19 HB3 SER 3 HB3 SER 3 7.640 -3.893 18.383 20 H GLU 4 H GLU 4 8.084 -7.450 19.679 21 HA GLU 4 HA GLU 4 10.838 -6.659 20.356 22 HB2 GLU 4 HB2 GLU 4 9.849 -7.908 22.277 23 HB3 GLU 4 HB3 GLU 4 9.542 -9.266 21.202 24 HG2 GLU 4 HG2 GLU 4 11.999 -9.406 20.779 25 HG3 GLU 4 HG3 GLU 4 12.233 -8.154 21.986 26 H VAL 5 H VAL 5 8.654 -8.823 18.633 27 HA VAL 5 HA VAL 5 10.352 -10.592 17.450 28 HB VAL 5 HB VAL 5 8.707 -10.789 15.577 29 HG11 VAL 5 HG11 VAL 5 6.813 -11.473 16.987 30 HG12 VAL 5 HG12 VAL 5 7.528 -10.604 18.346 31 HG13 VAL 5 HG13 VAL 5 8.357 -11.995 17.659 32 HG21 VAL 5 HG21 VAL 5 6.654 -9.429 15.640 33 HG22 VAL 5 HG22 VAL 5 8.079 -8.423 15.367 34 HG23 VAL 5 HG23 VAL 5 7.330 -8.478 16.963 35 H SER 6 H SER 6 11.905 -10.614 16.031 36 HA SER 6 HA SER 6 12.312 -8.278 14.283 37 HG SER 6 HG SER 6 13.040 -7.319 16.186 38 HB2 SER 6 HB2 SER 6 14.439 -9.714 15.878 39 HB3 SER 6 HB3 SER 6 14.718 -8.402 14.734 40 H ASP 7 H ASP 7 11.595 -11.411 14.236 41 HA ASP 7 HA ASP 7 13.353 -11.973 11.945 42 HB2 ASP 7 HB2 ASP 7 13.857 -13.355 13.978 43 HB3 ASP 7 HB3 ASP 7 12.217 -13.980 13.903 44 H LYS 8 H LYS 8 12.389 -12.767 10.160 45 HA LYS 8 HA LYS 8 10.835 -13.524 8.681 46 HB2 LYS 8 HB2 LYS 8 10.173 -15.164 10.428 47 HB3 LYS 8 HB3 LYS 8 9.084 -13.983 11.117 48 HG2 LYS 8 HG2 LYS 8 7.762 -14.036 9.029 49 HG3 LYS 8 HG3 LYS 8 8.842 -15.286 8.411 50 HD2 LYS 8 HD2 LYS 8 8.248 -16.706 10.316 51 HD3 LYS 8 HD3 LYS 8 7.145 -15.458 10.886 52 HE2 LYS 8 HE2 LYS 8 5.851 -15.634 8.837 53 HE3 LYS 8 HE3 LYS 8 6.950 -16.875 8.231 54 HZ1 LYS 8 HZ1 LYS 8 4.972 -17.844 9.140 55 HZ2 LYS 8 HZ2 LYS 8 5.212 -17.083 10.627 56 HZ3 LYS 8 HZ3 LYS 8 6.285 -18.286 10.094 57 H ARG 9 H ARG 9 8.813 -12.925 7.659 58 HA ARG 9 HA ARG 9 8.275 -10.204 7.461 59 HE ARG 9 HE ARG 9 5.707 -10.974 4.242 60 HB2 ARG 9 HB2 ARG 9 6.325 -12.460 6.905 61 HB3 ARG 9 HB3 ARG 9 6.267 -10.792 6.327 62 HG2 ARG 9 HG2 ARG 9 8.071 -11.026 4.986 63 HG3 ARG 9 HG3 ARG 9 8.567 -12.566 5.710 64 HD2 ARG 9 HD2 ARG 9 7.520 -12.936 3.548 65 HD3 ARG 9 HD3 ARG 9 6.534 -13.592 4.861 66 HH11 ARG 9 HH11 ARG 9 5.495 -14.274 2.970 67 HH12 ARG 9 HH12 ARG 9 4.092 -13.978 2.057 68 HH21 ARG 9 HH21 ARG 9 3.761 -10.583 2.981 69 HH22 ARG 9 HH22 ARG 9 3.091 -11.851 2.061 70 H THR 10 H THR 10 7.415 -8.911 9.045 71 HA THR 10 HA THR 10 5.616 -10.154 10.875 72 HB THR 10 HB THR 10 6.281 -8.040 12.234 73 HG1 THR 10 HG1 THR 10 8.766 -8.108 11.339 74 HG21 THR 10 HG21 THR 10 8.200 -9.262 13.188 75 HG22 THR 10 HG22 THR 10 8.216 -10.327 11.784 76 HG23 THR 10 HG23 THR 10 6.844 -10.347 12.893 77 H CYS 11 H CYS 11 3.773 -9.045 11.538 78 HA CYS 11 HA CYS 11 2.912 -6.762 9.917 79 HB2 CYS 11 HB2 CYS 11 1.203 -9.168 10.684 80 HB3 CYS 11 HB3 CYS 11 0.669 -7.732 9.838 81 H VAL 12 H VAL 12 1.540 -5.405 11.112 82 HA VAL 12 HA VAL 12 0.957 -6.155 13.877 83 HB VAL 12 HB VAL 12 1.689 -3.937 14.743 84 HG11 VAL 12 HG11 VAL 12 3.901 -5.489 13.413 85 HG12 VAL 12 HG12 VAL 12 3.207 -5.823 14.995 86 HG13 VAL 12 HG13 VAL 12 4.110 -4.333 14.732 87 HG21 VAL 12 HG21 VAL 12 3.207 -2.562 13.377 88 HG22 VAL 12 HG22 VAL 12 1.557 -2.655 12.741 89 HG23 VAL 12 HG23 VAL 12 2.848 -3.594 11.991 90 H SER 13 H SER 13 -0.800 -5.131 14.761 91 HA SER 13 HA SER 13 -2.327 -3.324 13.040 92 HG SER 13 HG SER 13 -4.602 -3.553 13.188 93 HB2 SER 13 HB2 SER 13 -3.305 -5.589 13.179 94 HB3 SER 13 HB3 SER 13 -3.391 -5.430 14.925 95 H LEU 14 H LEU 14 -3.315 -1.650 14.047 96 HA LEU 14 HA LEU 14 -2.833 -1.294 16.902 97 HG LEU 14 HG LEU 14 -2.438 0.329 13.589 98 HB2 LEU 14 HB2 LEU 14 -2.453 1.183 16.415 99 HB3 LEU 14 HB3 LEU 14 -1.189 0.123 15.820 100 HD11 LEU 14 HD11 LEU 14 -3.643 2.670 15.040 101 HD12 LEU 14 HD12 LEU 14 -4.471 1.299 14.327 102 HD13 LEU 14 HD13 LEU 14 -3.645 2.476 13.300 103 HD21 LEU 14 HD21 LEU 14 -1.249 2.440 13.090 104 HD22 LEU 14 HD22 LEU 14 -0.258 1.261 13.950 105 HD23 LEU 14 HD23 LEU 14 -0.949 2.628 14.815 106 H THR 15 H THR 15 -4.479 -0.355 18.063 107 HA THR 15 HA THR 15 -7.018 -0.129 16.652 108 HB THR 15 HB THR 15 -7.950 -0.141 19.007 109 HG1 THR 15 HG1 THR 15 -5.899 0.556 19.910 110 HG21 THR 15 HG21 THR 15 -6.200 -2.485 18.248 111 HG22 THR 15 HG22 THR 15 -7.840 -2.196 17.670 112 HG23 THR 15 HG23 THR 15 -7.555 -2.531 19.376 113 H THR 16 H THR 16 -7.743 1.883 16.168 114 HA THR 16 HA THR 16 -7.018 4.047 17.944 115 HB THR 16 HB THR 16 -5.197 3.928 16.234 116 HG1 THR 16 HG1 THR 16 -5.318 5.905 16.874 117 HG21 THR 16 HG21 THR 16 -6.483 3.064 14.339 118 HG22 THR 16 HG22 THR 16 -5.690 4.577 13.898 119 HG23 THR 16 HG23 THR 16 -7.414 4.560 14.278 120 H GLN 17 H GLN 17 -7.962 6.136 16.490 121 HA GLN 17 HA GLN 17 -10.785 5.811 16.866 122 HB2 GLN 17 HB2 GLN 17 -9.593 7.855 17.543 123 HB3 GLN 17 HB3 GLN 17 -9.198 8.182 15.866 124 HG2 GLN 17 HG2 GLN 17 -11.003 9.592 16.633 125 HG3 GLN 17 HG3 GLN 17 -11.568 8.489 15.381 126 HE21 GLN 17 HE21 GLN 17 -11.625 9.230 18.776 127 HE22 GLN 17 HE22 GLN 17 -13.028 8.290 19.145 128 H ARG 18 H ARG 18 -11.497 4.388 15.299 129 HA ARG 18 HA ARG 18 -11.492 5.408 12.570 130 HE ARG 18 HE ARG 18 -10.189 2.546 10.024 131 HB2 ARG 18 HB2 ARG 18 -10.903 2.629 13.491 132 HB3 ARG 18 HB3 ARG 18 -11.546 2.978 11.880 133 HG2 ARG 18 HG2 ARG 18 -9.040 4.263 12.921 134 HG3 ARG 18 HG3 ARG 18 -9.056 2.712 12.062 135 HD2 ARG 18 HD2 ARG 18 -10.196 5.281 10.972 136 HD3 ARG 18 HD3 ARG 18 -8.614 4.612 10.564 137 HH11 ARG 18 HH11 ARG 18 -10.547 5.945 9.014 138 HH12 ARG 18 HH12 ARG 18 -11.329 5.499 7.552 139 HH21 ARG 18 HH21 ARG 18 -11.244 2.052 8.049 140 HH22 ARG 18 HH22 ARG 18 -11.727 3.321 6.990 141 H LEU 19 H LEU 19 -13.193 4.981 11.291 142 HA LEU 19 HA LEU 19 -15.654 4.174 12.640 143 HG LEU 19 HG LEU 19 -15.561 5.324 8.972 144 HB2 LEU 19 HB2 LEU 19 -16.867 5.580 11.067 145 HB3 LEU 19 HB3 LEU 19 -15.584 6.526 11.753 146 HD11 LEU 19 HD11 LEU 19 -17.230 7.063 9.187 147 HD12 LEU 19 HD12 LEU 19 -15.870 7.616 8.209 148 HD13 LEU 19 HD13 LEU 19 -16.027 8.150 9.883 149 HD21 LEU 19 HD21 LEU 19 -13.677 6.874 8.593 150 HD22 LEU 19 HD22 LEU 19 -13.269 5.614 9.743 151 HD23 LEU 19 HD23 LEU 19 -13.638 7.254 10.302 152 HA PRO 20 HA PRO 20 -15.877 0.634 10.004 153 HB2 PRO 20 HB2 PRO 20 -18.484 0.630 9.141 154 HB3 PRO 20 HB3 PRO 20 -17.967 0.088 10.739 155 HG2 PRO 20 HG2 PRO 20 -19.130 2.707 9.918 156 HG3 PRO 20 HG3 PRO 20 -19.451 1.742 11.369 157 HD2 PRO 20 HD2 PRO 20 -17.843 3.893 11.365 158 HD3 PRO 20 HD3 PRO 20 -17.544 2.509 12.451 159 H VAL 21 H VAL 21 -15.374 0.166 8.060 160 HA VAL 21 HA VAL 21 -15.856 2.103 5.908 161 HB VAL 21 HB VAL 21 -13.479 2.028 6.616 162 HG11 VAL 21 HG11 VAL 21 -13.295 -0.240 7.398 163 HG12 VAL 21 HG12 VAL 21 -12.076 0.076 6.165 164 HG13 VAL 21 HG13 VAL 21 -13.523 -0.852 5.759 165 HG21 VAL 21 HG21 VAL 21 -12.455 1.704 4.396 166 HG22 VAL 21 HG22 VAL 21 -13.954 2.626 4.315 167 HG23 VAL 21 HG23 VAL 21 -13.939 0.927 3.841 168 H SER 22 H SER 22 -16.479 1.330 3.918 169 HA SER 22 HA SER 22 -17.985 -1.037 3.921 170 HG SER 22 HG SER 22 -18.515 2.041 2.539 171 HB2 SER 22 HB2 SER 22 -17.191 0.740 1.625 172 HB3 SER 22 HB3 SER 22 -18.459 -0.484 1.585 173 H ARG 23 H ARG 23 -14.724 -0.371 2.673 174 HA ARG 23 HA ARG 23 -14.602 -3.201 1.886 175 HE ARG 23 HE ARG 23 -16.744 -1.665 -2.386 176 HB2 ARG 23 HB2 ARG 23 -13.464 -0.892 0.357 177 HB3 ARG 23 HB3 ARG 23 -13.185 -2.587 0.007 178 HG2 ARG 23 HG2 ARG 23 -15.605 -2.856 -0.408 179 HG3 ARG 23 HG3 ARG 23 -15.804 -1.118 -0.150 180 HD2 ARG 23 HD2 ARG 23 -14.187 -0.695 -1.909 181 HD3 ARG 23 HD3 ARG 23 -14.062 -2.440 -2.153 182 HH11 ARG 23 HH11 ARG 23 -13.692 -1.457 -4.190 183 HH12 ARG 23 HH12 ARG 23 -14.452 -1.261 -5.706 184 HH21 ARG 23 HH21 ARG 23 -17.766 -1.397 -4.512 185 HH22 ARG 23 HH22 ARG 23 -16.768 -1.227 -5.889 186 H ILE 24 H ILE 24 -12.608 -4.189 2.193 187 HA ILE 24 HA ILE 24 -10.714 -2.771 3.858 188 HB ILE 24 HB ILE 24 -10.663 -5.597 2.735 189 HG12 ILE 24 HG12 ILE 24 -12.416 -5.305 4.421 190 HG13 ILE 24 HG13 ILE 24 -11.126 -6.332 5.033 191 HG21 ILE 24 HG21 ILE 24 -8.794 -6.026 4.279 192 HG22 ILE 24 HG22 ILE 24 -8.783 -4.321 4.726 193 HG23 ILE 24 HG23 ILE 24 -8.395 -4.799 3.077 194 HD11 ILE 24 HD11 ILE 24 -11.574 -3.428 5.704 195 HD12 ILE 24 HD12 ILE 24 -10.226 -4.419 6.273 196 HD13 ILE 24 HD13 ILE 24 -11.873 -4.829 6.735 197 H LYS 25 H LYS 25 -9.305 -1.554 2.921 198 HA LYS 25 HA LYS 25 -8.657 -2.059 0.120 199 HB2 LYS 25 HB2 LYS 25 -8.015 0.441 1.744 200 HB3 LYS 25 HB3 LYS 25 -7.811 0.136 0.017 201 HG2 LYS 25 HG2 LYS 25 -10.488 0.165 1.353 202 HG3 LYS 25 HG3 LYS 25 -9.753 1.562 0.561 203 HD2 LYS 25 HD2 LYS 25 -10.104 -1.071 -0.748 204 HD3 LYS 25 HD3 LYS 25 -11.356 0.186 -0.873 205 HE2 LYS 25 HE2 LYS 25 -8.466 0.327 -1.843 206 HE3 LYS 25 HE3 LYS 25 -9.885 0.116 -2.849 207 HZ1 LYS 25 HZ1 LYS 25 -9.157 2.364 -2.919 208 HZ2 LYS 25 HZ2 LYS 25 -9.243 2.579 -1.264 209 HZ3 LYS 25 HZ3 LYS 25 -10.655 2.302 -2.161 210 H THR 26 H THR 26 -6.791 -2.833 -0.440 211 HA THR 26 HA THR 26 -4.658 -2.985 1.572 212 HB THR 26 HB THR 26 -3.742 -4.789 0.108 213 HG1 THR 26 HG1 THR 26 -5.730 -3.942 -1.556 214 HG21 THR 26 HG21 THR 26 -5.106 -5.366 2.051 215 HG22 THR 26 HG22 THR 26 -5.389 -6.506 0.733 216 HG23 THR 26 HG23 THR 26 -6.568 -5.237 1.073 217 H TYR 27 H TYR 27 -2.922 -1.869 1.277 218 HA TYR 27 HA TYR 27 -2.398 -0.769 -1.367 219 HD1 TYR 27 HD1 TYR 27 -4.829 0.720 1.114 220 HD2 TYR 27 HD2 TYR 27 -2.306 2.188 -1.952 221 HE1 TYR 27 HE1 TYR 27 -6.747 1.898 0.103 222 HE2 TYR 27 HE2 TYR 27 -4.165 3.354 -2.969 223 HH TYR 27 HH TYR 27 -7.196 3.715 -1.379 224 HB2 TYR 27 HB2 TYR 27 -2.373 0.630 1.275 225 HB3 TYR 27 HB3 TYR 27 -1.366 1.204 -0.056 226 H THR 28 H THR 28 -0.504 -1.028 -2.139 227 HA THR 28 HA THR 28 1.400 -2.318 -0.372 228 HB THR 28 HB THR 28 2.242 -3.346 -2.585 229 HG1 THR 28 HG1 THR 28 -0.387 -3.116 -3.454 230 HG21 THR 28 HG21 THR 28 0.531 -5.148 -2.480 231 HG22 THR 28 HG22 THR 28 -0.390 -4.150 -1.329 232 HG23 THR 28 HG23 THR 28 1.257 -4.691 -0.954 233 H ILE 29 H ILE 29 3.261 -1.368 -0.101 234 HA ILE 29 HA ILE 29 4.213 0.388 -2.221 235 HB ILE 29 HB ILE 29 4.482 0.789 0.767 236 HG12 ILE 29 HG12 ILE 29 3.184 2.429 -1.420 237 HG13 ILE 29 HG13 ILE 29 2.368 1.542 -0.140 238 HG21 ILE 29 HG21 ILE 29 5.833 2.395 -1.425 239 HG22 ILE 29 HG22 ILE 29 6.634 1.317 -0.281 240 HG23 ILE 29 HG23 ILE 29 5.855 2.777 0.301 241 HD11 ILE 29 HD11 ILE 29 2.360 3.881 0.384 242 HD12 ILE 29 HD12 ILE 29 4.108 3.958 0.147 243 HD13 ILE 29 HD13 ILE 29 3.465 3.046 1.490 244 H THR 30 H THR 30 5.988 -0.284 -3.095 245 HA THR 30 HA THR 30 7.737 -2.032 -1.556 246 HB THR 30 HB THR 30 6.767 -3.141 -3.561 247 HG1 THR 30 HG1 THR 30 8.681 -3.915 -4.385 248 HG21 THR 30 HG21 THR 30 8.165 -0.986 -5.132 249 HG22 THR 30 HG22 THR 30 6.424 -1.158 -4.938 250 HG23 THR 30 HG23 THR 30 7.336 -2.386 -5.830 251 H GLU 31 H GLU 31 9.564 -1.184 -1.016 252 HA GLU 31 HA GLU 31 10.594 1.100 -2.544 253 HB2 GLU 31 HB2 GLU 31 9.325 2.048 -0.721 254 HB3 GLU 31 HB3 GLU 31 10.166 1.037 0.443 255 HG2 GLU 31 HG2 GLU 31 10.901 3.379 0.451 256 HG3 GLU 31 HG3 GLU 31 12.200 2.240 0.095 257 H GLY 32 H GLY 32 12.412 0.316 -3.323 258 HA2 GLY 32 HA2 GLY 32 14.658 -0.163 -3.287 259 HA3 GLY 32 HA3 GLY 32 14.604 -0.079 -1.536 260 H SER 33 H SER 33 13.404 -1.957 -0.560 261 HA SER 33 HA SER 33 13.623 -4.471 -1.971 262 HG SER 33 HG SER 33 15.749 -3.815 -2.283 263 HB2 SER 33 HB2 SER 33 15.443 -3.943 0.392 264 HB3 SER 33 HB3 SER 33 15.202 -5.508 -0.379 265 H LEU 34 H LEU 34 11.754 -2.691 0.033 266 HA LEU 34 HA LEU 34 10.833 -5.159 1.285 267 HG LEU 34 HG LEU 34 9.668 -1.793 2.587 268 HB2 LEU 34 HB2 LEU 34 10.144 -4.104 3.347 269 HB3 LEU 34 HB3 LEU 34 11.854 -3.802 3.113 270 HD11 LEU 34 HD11 LEU 34 10.341 -0.826 4.750 271 HD12 LEU 34 HD12 LEU 34 11.441 -2.183 4.999 272 HD13 LEU 34 HD13 LEU 34 9.703 -2.463 4.927 273 HD21 LEU 34 HD21 LEU 34 11.796 -1.422 1.409 274 HD22 LEU 34 HD22 LEU 34 12.645 -1.456 2.958 275 HD23 LEU 34 HD23 LEU 34 11.471 -0.187 2.612 276 H ARG 35 H ARG 35 8.799 -5.522 1.350 277 HA ARG 35 HA ARG 35 7.075 -3.517 0.036 278 HE ARG 35 HE ARG 35 8.458 -7.907 -0.438 279 HB2 ARG 35 HB2 ARG 35 6.692 -6.521 0.083 280 HB3 ARG 35 HB3 ARG 35 5.483 -5.398 -0.504 281 HG2 ARG 35 HG2 ARG 35 6.548 -6.229 -2.421 282 HG3 ARG 35 HG3 ARG 35 7.244 -4.634 -2.167 283 HD2 ARG 35 HD2 ARG 35 9.001 -6.154 -2.752 284 HD3 ARG 35 HD3 ARG 35 9.178 -5.724 -1.053 285 HH11 ARG 35 HH11 ARG 35 8.701 -7.538 -3.961 286 HH12 ARG 35 HH12 ARG 35 8.819 -9.230 -4.203 287 HH21 ARG 35 HH21 ARG 35 8.574 -10.079 -0.837 288 HH22 ARG 35 HH22 ARG 35 8.710 -10.726 -2.438 289 H ALA 36 H ALA 36 5.643 -2.549 1.217 290 HA ALA 36 HA ALA 36 4.761 -3.865 3.691 291 HB1 ALA 36 HB1 ALA 36 4.393 -1.620 4.603 292 HB2 ALA 36 HB2 ALA 36 4.967 -0.910 3.092 293 HB3 ALA 36 HB3 ALA 36 6.071 -1.839 4.106 294 H VAL 37 H VAL 37 2.683 -4.257 3.905 295 HA VAL 37 HA VAL 37 0.820 -3.171 1.890 296 HB VAL 37 HB VAL 37 0.462 -5.677 3.568 297 HG11 VAL 37 HG11 VAL 37 -1.440 -6.125 2.077 298 HG12 VAL 37 HG12 VAL 37 -1.161 -4.585 1.264 299 HG13 VAL 37 HG13 VAL 37 -1.650 -4.611 2.960 300 HG21 VAL 37 HG21 VAL 37 0.836 -6.926 1.546 301 HG22 VAL 37 HG22 VAL 37 2.246 -5.861 1.812 302 HG23 VAL 37 HG23 VAL 37 0.960 -5.419 0.666 303 H ILE 38 H ILE 38 -0.629 -1.787 2.593 304 HA ILE 38 HA ILE 38 -1.188 -1.557 5.425 305 HB ILE 38 HB ILE 38 -1.526 0.234 3.034 306 HG12 ILE 38 HG12 ILE 38 -0.045 0.617 5.620 307 HG13 ILE 38 HG13 ILE 38 0.665 0.122 4.087 308 HG21 ILE 38 HG21 ILE 38 -3.544 0.488 4.336 309 HG22 ILE 38 HG22 ILE 38 -2.525 1.924 4.452 310 HG23 ILE 38 HG23 ILE 38 -2.598 0.780 5.800 311 HD11 ILE 38 HD11 ILE 38 -0.812 2.719 4.442 312 HD12 ILE 38 HD12 ILE 38 0.201 2.119 3.097 313 HD13 ILE 38 HD13 ILE 38 0.947 2.520 4.632 314 H PHE 39 H PHE 39 -2.971 -2.443 6.099 315 HA PHE 39 HA PHE 39 -5.127 -3.003 4.200 316 HD1 PHE 39 HD1 PHE 39 -2.400 -4.779 6.714 317 HD2 PHE 39 HD2 PHE 39 -5.487 -6.092 4.101 318 HE1 PHE 39 HE1 PHE 39 -0.943 -6.576 5.912 319 HE2 PHE 39 HE2 PHE 39 -4.023 -7.900 3.287 320 HZ PHE 39 HZ PHE 39 -1.747 -8.138 4.202 321 HB2 PHE 39 HB2 PHE 39 -4.671 -4.038 6.996 322 HB3 PHE 39 HB3 PHE 39 -5.958 -4.550 5.917 323 H ILE 40 H ILE 40 -6.664 -1.607 4.237 324 HA ILE 40 HA ILE 40 -6.950 0.228 6.458 325 HB ILE 40 HB ILE 40 -8.458 -0.019 3.849 326 HG12 ILE 40 HG12 ILE 40 -6.142 0.643 3.363 327 HG13 ILE 40 HG13 ILE 40 -7.186 2.024 3.162 328 HG21 ILE 40 HG21 ILE 40 -9.891 1.031 5.419 329 HG22 ILE 40 HG22 ILE 40 -9.289 2.269 4.313 330 HG23 ILE 40 HG23 ILE 40 -8.606 2.124 5.933 331 HD11 ILE 40 HD11 ILE 40 -6.433 2.926 5.308 332 HD12 ILE 40 HD12 ILE 40 -5.076 2.555 4.226 333 HD13 ILE 40 HD13 ILE 40 -5.443 1.477 5.544 334 H THR 41 H THR 41 -8.152 -0.354 8.126 335 HA THR 41 HA THR 41 -10.316 -2.269 7.677 336 HB THR 41 HB THR 41 -9.849 -3.152 9.943 337 HG1 THR 41 HG1 THR 41 -7.457 -1.621 9.804 338 HG21 THR 41 HG21 THR 41 -7.470 -3.230 8.078 339 HG22 THR 41 HG22 THR 41 -8.869 -4.302 8.018 340 HG23 THR 41 HG23 THR 41 -7.766 -4.365 9.393 341 H LYS 42 H LYS 42 -11.659 -2.245 9.968 342 HA LYS 42 HA LYS 42 -12.564 0.514 10.080 343 HB2 LYS 42 HB2 LYS 42 -14.669 -0.415 11.044 344 HB3 LYS 42 HB3 LYS 42 -14.333 -0.986 9.412 345 HG2 LYS 42 HG2 LYS 42 -15.183 -2.835 10.633 346 HG3 LYS 42 HG3 LYS 42 -13.444 -3.091 10.528 347 HD2 LYS 42 HD2 LYS 42 -13.215 -2.115 12.805 348 HD3 LYS 42 HD3 LYS 42 -14.971 -2.018 12.902 349 HE2 LYS 42 HE2 LYS 42 -13.338 -4.482 12.505 350 HE3 LYS 42 HE3 LYS 42 -14.032 -3.975 14.034 351 HZ1 LYS 42 HZ1 LYS 42 -15.590 -4.767 11.592 352 HZ2 LYS 42 HZ2 LYS 42 -16.270 -4.188 13.027 353 HZ3 LYS 42 HZ3 LYS 42 -15.449 -5.639 13.022 354 H ARG 43 H ARG 43 -10.968 -1.768 12.020 355 HA ARG 43 HA ARG 43 -11.729 -0.457 14.513 356 HE ARG 43 HE ARG 43 -8.264 -3.470 15.145 357 HB2 ARG 43 HB2 ARG 43 -11.482 -2.919 14.406 358 HB3 ARG 43 HB3 ARG 43 -9.778 -2.713 14.030 359 HG2 ARG 43 HG2 ARG 43 -9.520 -1.540 16.212 360 HG3 ARG 43 HG3 ARG 43 -11.188 -1.978 16.580 361 HD2 ARG 43 HD2 ARG 43 -9.702 -3.570 17.592 362 HD3 ARG 43 HD3 ARG 43 -10.584 -4.357 16.283 363 HH11 ARG 43 HH11 ARG 43 -9.074 -5.644 17.811 364 HH12 ARG 43 HH12 ARG 43 -7.665 -6.576 17.676 365 HH21 ARG 43 HH21 ARG 43 -6.236 -4.775 14.968 366 HH22 ARG 43 HH22 ARG 43 -6.049 -6.062 16.038 367 H GLY 44 H GLY 44 -9.178 -0.619 12.266 368 HA2 GLY 44 HA2 GLY 44 -7.904 1.723 13.232 369 HA3 GLY 44 HA3 GLY 44 -7.098 0.330 13.904 370 H LEU 45 H LEU 45 -5.386 -0.164 12.919 371 HA LEU 45 HA LEU 45 -5.270 -0.101 9.996 372 HG LEU 45 HG LEU 45 -1.995 0.234 10.030 373 HB2 LEU 45 HB2 LEU 45 -4.300 2.016 10.778 374 HB3 LEU 45 HB3 LEU 45 -3.277 1.145 11.892 375 HD11 LEU 45 HD11 LEU 45 -3.726 0.166 8.323 376 HD12 LEU 45 HD12 LEU 45 -2.314 1.061 7.775 377 HD13 LEU 45 HD13 LEU 45 -3.766 1.933 8.281 378 HD21 LEU 45 HD21 LEU 45 -2.287 3.230 9.940 379 HD22 LEU 45 HD22 LEU 45 -0.929 2.307 9.323 380 HD23 LEU 45 HD23 LEU 45 -1.260 2.324 11.053 381 H LYS 46 H LYS 46 -3.890 -1.630 9.131 382 HA LYS 46 HA LYS 46 -2.421 -3.401 10.915 383 HB2 LYS 46 HB2 LYS 46 -4.576 -4.476 10.560 384 HB3 LYS 46 HB3 LYS 46 -4.495 -4.211 8.841 385 HG2 LYS 46 HG2 LYS 46 -3.995 -6.519 9.200 386 HG3 LYS 46 HG3 LYS 46 -2.454 -5.717 8.859 387 HD2 LYS 46 HD2 LYS 46 -1.970 -5.670 11.246 388 HD3 LYS 46 HD3 LYS 46 -3.535 -6.461 11.529 389 HE2 LYS 46 HE2 LYS 46 -1.308 -7.622 9.883 390 HE3 LYS 46 HE3 LYS 46 -1.650 -8.057 11.559 391 HZ1 LYS 46 HZ1 LYS 46 -3.465 -8.457 9.231 392 HZ2 LYS 46 HZ2 LYS 46 -3.852 -8.848 10.807 393 HZ3 LYS 46 HZ3 LYS 46 -2.601 -9.651 10.021 394 H VAL 47 H VAL 47 -0.441 -3.747 10.040 395 HA VAL 47 HA VAL 47 -0.124 -3.254 7.173 396 HB VAL 47 HB VAL 47 0.668 -1.276 8.486 397 HG11 VAL 47 HG11 VAL 47 2.767 -1.458 9.758 398 HG12 VAL 47 HG12 VAL 47 2.686 -3.208 9.573 399 HG13 VAL 47 HG13 VAL 47 1.432 -2.371 10.476 400 HG21 VAL 47 HG21 VAL 47 1.624 -1.710 6.286 401 HG22 VAL 47 HG22 VAL 47 2.833 -2.772 7.008 402 HG23 VAL 47 HG23 VAL 47 2.854 -1.046 7.366 403 H CYS 48 H CYS 48 1.256 -4.598 6.162 404 HA CYS 48 HA CYS 48 2.695 -6.576 7.795 405 HB2 CYS 48 HB2 CYS 48 1.196 -6.978 5.233 406 HB3 CYS 48 HB3 CYS 48 2.481 -8.074 5.722 407 H ALA 49 H ALA 49 4.822 -6.960 7.355 408 HA ALA 49 HA ALA 49 5.844 -5.423 5.092 409 HB1 ALA 49 HB1 ALA 49 7.210 -6.018 7.700 410 HB2 ALA 49 HB2 ALA 49 6.480 -4.473 7.255 411 HB3 ALA 49 HB3 ALA 49 7.878 -5.085 6.364 412 H ASP 50 H ASP 50 6.676 -6.583 3.632 413 HA ASP 50 HA ASP 50 7.836 -9.194 4.242 414 HB2 ASP 50 HB2 ASP 50 6.072 -9.365 2.564 415 HB3 ASP 50 HB3 ASP 50 6.798 -8.062 1.625 416 HA PRO 51 HA PRO 51 11.319 -6.653 3.188 417 HB2 PRO 51 HB2 PRO 51 13.035 -7.563 4.944 418 HB3 PRO 51 HB3 PRO 51 11.643 -6.606 5.468 419 HG2 PRO 51 HG2 PRO 51 12.080 -9.553 5.644 420 HG3 PRO 51 HG3 PRO 51 11.257 -8.476 6.781 421 HD2 PRO 51 HD2 PRO 51 10.046 -10.081 4.806 422 HD3 PRO 51 HD3 PRO 51 9.264 -8.790 5.745 423 H GLN 52 H GLN 52 12.522 -7.022 1.532 424 HA GLN 52 HA GLN 52 14.011 -7.805 0.085 425 HB2 GLN 52 HB2 GLN 52 15.150 -9.109 2.535 426 HB3 GLN 52 HB3 GLN 52 16.017 -8.612 1.091 427 HG2 GLN 52 HG2 GLN 52 15.305 -6.240 1.600 428 HG3 GLN 52 HG3 GLN 52 14.675 -6.815 3.111 429 HE21 GLN 52 HE21 GLN 52 16.091 -7.555 4.727 430 HE22 GLN 52 HE22 GLN 52 17.784 -7.210 4.658 431 H ALA 53 H ALA 53 11.738 -9.521 -0.056 432 HA ALA 53 HA ALA 53 12.795 -12.195 0.049 433 HB1 ALA 53 HB1 ALA 53 10.439 -11.832 0.600 434 HB2 ALA 53 HB2 ALA 53 10.677 -12.955 -0.756 435 HB3 ALA 53 HB3 ALA 53 10.171 -11.299 -1.070 436 H THR 54 H THR 54 14.509 -11.619 -1.313 437 HA THR 54 HA THR 54 15.690 -11.875 -3.102 438 HB THR 54 HB THR 54 13.351 -13.469 -4.172 439 HG1 THR 54 HG1 THR 54 15.416 -13.878 -2.342 440 HG21 THR 54 HG21 THR 54 15.061 -14.636 -5.516 441 HG22 THR 54 HG22 THR 54 16.301 -13.558 -4.880 442 HG23 THR 54 HG23 THR 54 15.027 -12.918 -5.919 443 H TRP 55 H TRP 55 12.576 -11.579 -4.898 444 HA TRP 55 HA TRP 55 13.804 -9.471 -6.463 445 HD1 TRP 55 HD1 TRP 55 13.715 -8.759 -8.710 446 HE1 TRP 55 HE1 TRP 55 12.438 -7.527 -10.594 447 HE3 TRP 55 HE3 TRP 55 9.188 -10.995 -8.159 448 HZ2 TRP 55 HZ2 TRP 55 9.839 -7.533 -11.685 449 HZ3 TRP 55 HZ3 TRP 55 7.352 -10.346 -9.659 450 HH2 TRP 55 HH2 TRP 55 7.673 -8.649 -11.387 451 HB2 TRP 55 HB2 TRP 55 12.852 -11.416 -7.662 452 HB3 TRP 55 HB3 TRP 55 11.292 -11.098 -6.915 453 H VAL 56 H VAL 56 13.287 -7.444 -6.006 454 HA VAL 56 HA VAL 56 11.601 -6.737 -3.909 455 HB VAL 56 HB VAL 56 13.481 -5.337 -4.590 456 HG11 VAL 56 HG11 VAL 56 11.872 -4.678 -7.034 457 HG12 VAL 56 HG12 VAL 56 13.388 -5.576 -6.976 458 HG13 VAL 56 HG13 VAL 56 13.359 -3.863 -6.546 459 HG21 VAL 56 HG21 VAL 56 10.856 -3.863 -4.763 460 HG22 VAL 56 HG22 VAL 56 12.422 -3.122 -4.432 461 HG23 VAL 56 HG23 VAL 56 11.731 -4.272 -3.289 462 H ARG 57 H ARG 57 10.930 -6.799 -7.358 463 HA ARG 57 HA ARG 57 9.019 -6.936 -8.540 464 HE ARG 57 HE ARG 57 5.088 -7.260 -5.469 465 HB2 ARG 57 HB2 ARG 57 8.295 -8.524 -6.793 466 HB3 ARG 57 HB3 ARG 57 7.635 -7.196 -5.861 467 HG2 ARG 57 HG2 ARG 57 6.002 -6.766 -7.629 468 HG3 ARG 57 HG3 ARG 57 6.693 -8.087 -8.575 469 HD2 ARG 57 HD2 ARG 57 4.725 -8.883 -7.435 470 HD3 ARG 57 HD3 ARG 57 6.160 -9.638 -6.742 471 HH11 ARG 57 HH11 ARG 57 5.554 -10.780 -5.318 472 HH12 ARG 57 HH12 ARG 57 5.051 -10.898 -3.693 473 HH21 ARG 57 HH21 ARG 57 4.391 -7.465 -3.256 474 HH22 ARG 57 HH22 ARG 57 4.387 -8.998 -2.499 475 H ASP 58 H ASP 58 7.691 -5.536 -9.554 476 HA ASP 58 HA ASP 58 7.603 -2.813 -8.553 477 HB2 ASP 58 HB2 ASP 58 6.857 -2.242 -10.804 478 HB3 ASP 58 HB3 ASP 58 8.268 -3.285 -10.909 479 H VAL 59 H VAL 59 5.543 -1.607 -8.669 480 HA VAL 59 HA VAL 59 3.111 -3.086 -8.928 481 HB VAL 59 HB VAL 59 3.808 -3.505 -6.535 482 HG11 VAL 59 HG11 VAL 59 3.628 -1.744 -4.877 483 HG12 VAL 59 HG12 VAL 59 3.331 -0.579 -6.163 484 HG13 VAL 59 HG13 VAL 59 4.886 -1.407 -6.077 485 HG21 VAL 59 HG21 VAL 59 1.249 -1.950 -6.894 486 HG22 VAL 59 HG22 VAL 59 1.612 -3.006 -5.527 487 HG23 VAL 59 HG23 VAL 59 1.472 -3.679 -7.151 488 H VAL 60 H VAL 60 1.284 -1.684 -9.073 489 HA VAL 60 HA VAL 60 1.997 1.081 -9.740 490 HB VAL 60 HB VAL 60 -0.526 -0.486 -10.377 491 HG11 VAL 60 HG11 VAL 60 0.349 2.251 -11.300 492 HG12 VAL 60 HG12 VAL 60 -0.983 1.898 -10.201 493 HG13 VAL 60 HG13 VAL 60 -1.071 1.381 -11.884 494 HG21 VAL 60 HG21 VAL 60 0.309 -0.481 -12.691 495 HG22 VAL 60 HG22 VAL 60 1.410 -1.329 -11.603 496 HG23 VAL 60 HG23 VAL 60 1.789 0.305 -12.142 497 HA VAL 1 HA VAL 1 0.135 -4.509 19.344 498 HB VAL 1 HB VAL 1 -0.736 -5.139 21.581 499 H1 VAL 1 H1 VAL 1 2.745 -5.286 19.683 500 HG11 VAL 1 HG11 VAL 1 -1.179 -7.523 21.099 501 HG12 VAL 1 HG12 VAL 1 0.080 -7.484 19.870 502 HG13 VAL 1 HG13 VAL 1 -1.364 -6.496 19.671 503 HG21 VAL 1 HG21 VAL 1 0.380 -6.907 22.894 504 HG22 VAL 1 HG22 VAL 1 1.399 -5.475 22.750 505 HG23 VAL 1 HG23 VAL 1 1.725 -6.894 21.753 506 H GLY 2 H GLY 2 -0.321 -2.945 21.318 507 HA2 GLY 2 HA2 GLY 2 1.198 -1.838 23.078 508 HA3 GLY 2 HA3 GLY 2 2.223 -1.537 21.691 509 H SER 3 H SER 3 -1.309 -1.324 21.925 510 HA SER 3 HA SER 3 -1.094 1.354 20.856 511 HG SER 3 HG SER 3 -1.809 -0.739 19.604 512 HB2 SER 3 HB2 SER 3 -3.541 -0.358 21.379 513 HB3 SER 3 HB3 SER 3 -3.533 1.204 20.559 514 H GLU 4 H GLU 4 -0.331 2.528 22.571 515 HA GLU 4 HA GLU 4 -1.556 2.421 25.156 516 HB2 GLU 4 HB2 GLU 4 0.808 3.062 24.819 517 HB3 GLU 4 HB3 GLU 4 0.279 4.505 23.971 518 HG2 GLU 4 HG2 GLU 4 -0.739 5.349 25.994 519 HG3 GLU 4 HG3 GLU 4 -0.312 3.869 26.850 520 H VAL 5 H VAL 5 -1.928 4.222 22.271 521 HA VAL 5 HA VAL 5 -4.151 5.662 23.475 522 HB VAL 5 HB VAL 5 -3.844 7.404 21.715 523 HG11 VAL 5 HG11 VAL 5 -1.359 6.895 23.350 524 HG12 VAL 5 HG12 VAL 5 -2.806 7.724 23.904 525 HG13 VAL 5 HG13 VAL 5 -1.816 8.436 22.626 526 HG21 VAL 5 HG21 VAL 5 -2.755 6.032 20.014 527 HG22 VAL 5 HG22 VAL 5 -1.331 5.873 21.042 528 HG23 VAL 5 HG23 VAL 5 -1.777 7.454 20.390 529 H SER 6 H SER 6 -6.103 5.384 22.550 530 HA SER 6 HA SER 6 -6.220 3.716 20.140 531 HG SER 6 HG SER 6 -6.331 2.853 22.895 532 HB2 SER 6 HB2 SER 6 -8.276 4.071 22.346 533 HB3 SER 6 HB3 SER 6 -8.415 2.981 20.968 534 H ASP 7 H ASP 7 -5.903 6.641 20.553 535 HA ASP 7 HA ASP 7 -7.864 7.616 18.694 536 HB2 ASP 7 HB2 ASP 7 -8.834 7.932 21.069 537 HB3 ASP 7 HB3 ASP 7 -7.449 8.945 21.416 538 H LYS 8 H LYS 8 -7.024 10.205 18.567 539 HA LYS 8 HA LYS 8 -5.345 11.578 17.890 540 HB2 LYS 8 HB2 LYS 8 -4.475 11.425 20.184 541 HB3 LYS 8 HB3 LYS 8 -3.673 9.917 19.815 542 HG2 LYS 8 HG2 LYS 8 -2.210 11.162 18.220 543 HG3 LYS 8 HG3 LYS 8 -2.951 12.662 18.778 544 HD2 LYS 8 HD2 LYS 8 -2.205 12.209 21.051 545 HD3 LYS 8 HD3 LYS 8 -1.510 10.672 20.535 546 HE2 LYS 8 HE2 LYS 8 0.001 11.899 19.025 547 HE3 LYS 8 HE3 LYS 8 -0.654 13.422 19.632 548 HZ1 LYS 8 HZ1 LYS 8 1.410 12.870 20.731 549 HZ2 LYS 8 HZ2 LYS 8 0.812 11.379 21.220 550 HZ3 LYS 8 HZ3 LYS 8 0.179 12.803 21.856 551 H ARG 9 H ARG 9 -3.041 8.997 18.214 552 HA ARG 9 HA ARG 9 -3.195 8.064 15.516 553 HE ARG 9 HE ARG 9 -1.861 12.344 13.147 554 HB2 ARG 9 HB2 ARG 9 -0.678 9.533 16.376 555 HB3 ARG 9 HB3 ARG 9 -0.933 8.564 14.940 556 HG2 ARG 9 HG2 ARG 9 -2.485 10.201 14.060 557 HG3 ARG 9 HG3 ARG 9 -2.274 11.187 15.515 558 HD2 ARG 9 HD2 ARG 9 0.059 11.493 15.033 559 HD3 ARG 9 HD3 ARG 9 -0.037 10.373 13.680 560 HH11 ARG 9 HH11 ARG 9 1.638 12.254 13.701 561 HH12 ARG 9 HH12 ARG 9 1.989 13.511 12.605 562 HH21 ARG 9 HH21 ARG 9 -1.390 14.048 11.674 563 HH22 ARG 9 HH22 ARG 9 0.206 14.569 11.389 564 H THR 10 H THR 10 -2.677 5.925 15.802 565 HA THR 10 HA THR 10 -0.964 5.391 18.044 566 HB THR 10 HB THR 10 -2.533 3.433 16.369 567 HG1 THR 10 HG1 THR 10 -3.653 4.053 18.814 568 HG21 THR 10 HG21 THR 10 -2.366 2.079 18.426 569 HG22 THR 10 HG22 THR 10 -1.500 3.419 19.188 570 HG23 THR 10 HG23 THR 10 -0.771 2.577 17.824 571 H CYS 11 H CYS 11 1.003 4.308 17.622 572 HA CYS 11 HA CYS 11 1.632 3.736 14.834 573 HB2 CYS 11 HB2 CYS 11 3.422 5.143 16.845 574 HB3 CYS 11 HB3 CYS 11 3.920 4.582 15.261 575 H VAL 12 H VAL 12 3.051 2.044 14.667 576 HA VAL 12 HA VAL 12 4.112 0.786 17.011 577 HB VAL 12 HB VAL 12 3.275 -1.539 16.148 578 HG11 VAL 12 HG11 VAL 12 1.303 0.368 17.422 579 HG12 VAL 12 HG12 VAL 12 2.533 -0.568 18.274 580 HG13 VAL 12 HG13 VAL 12 1.199 -1.394 17.461 581 HG21 VAL 12 HG21 VAL 12 1.102 -1.486 15.023 582 HG22 VAL 12 HG22 VAL 12 2.361 -0.711 14.049 583 HG23 VAL 12 HG23 VAL 12 1.207 0.273 14.950 584 H SER 13 H SER 13 5.704 -0.844 16.481 585 HA SER 13 HA SER 13 6.757 -0.452 13.793 586 HG SER 13 HG SER 13 9.937 0.451 14.918 587 HB2 SER 13 HB2 SER 13 7.869 1.030 15.425 588 HB3 SER 13 HB3 SER 13 8.304 -0.380 16.383 589 H LEU 14 H LEU 14 7.815 -2.191 12.962 590 HA LEU 14 HA LEU 14 8.018 -4.552 14.618 591 HG LEU 14 HG LEU 14 6.567 -3.364 11.375 592 HB2 LEU 14 HB2 LEU 14 7.264 -5.953 12.673 593 HB3 LEU 14 HB3 LEU 14 6.005 -4.944 13.350 594 HD11 LEU 14 HD11 LEU 14 7.348 -4.562 9.368 595 HD12 LEU 14 HD12 LEU 14 7.805 -5.901 10.405 596 HD13 LEU 14 HD13 LEU 14 8.598 -4.346 10.625 597 HD21 LEU 14 HD21 LEU 14 5.041 -4.582 9.909 598 HD22 LEU 14 HD22 LEU 14 4.492 -4.573 11.587 599 HD23 LEU 14 HD23 LEU 14 5.240 -6.017 10.913 600 H THR 15 H THR 15 9.824 -5.628 14.400 601 HA THR 15 HA THR 15 11.667 -4.520 12.451 602 HB THR 15 HB THR 15 13.507 -5.428 13.946 603 HG1 THR 15 HG1 THR 15 11.416 -6.496 15.201 604 HG21 THR 15 HG21 THR 15 11.639 -3.374 15.144 605 HG22 THR 15 HG22 THR 15 12.876 -3.052 13.932 606 HG23 THR 15 HG23 THR 15 13.344 -3.573 15.552 607 H THR 16 H THR 16 12.890 -5.815 11.142 608 HA THR 16 HA THR 16 12.643 -8.642 11.259 609 HB THR 16 HB THR 16 10.476 -8.050 10.236 610 HG1 THR 16 HG1 THR 16 10.836 -9.794 9.208 611 HG21 THR 16 HG21 THR 16 10.357 -6.902 8.057 612 HG22 THR 16 HG22 THR 16 12.100 -6.661 8.096 613 HG23 THR 16 HG23 THR 16 11.077 -5.862 9.290 614 H GLN 17 H GLN 17 13.500 -9.180 8.694 615 HA GLN 17 HA GLN 17 16.242 -8.421 8.904 616 HB2 GLN 17 HB2 GLN 17 15.631 -10.652 8.084 617 HB3 GLN 17 HB3 GLN 17 14.835 -9.929 6.693 618 HG2 GLN 17 HG2 GLN 17 17.030 -10.841 6.114 619 HG3 GLN 17 HG3 GLN 17 16.966 -9.094 5.877 620 HE21 GLN 17 HE21 GLN 17 18.256 -11.658 7.769 621 HE22 GLN 17 HE22 GLN 17 19.462 -10.765 8.598 622 H ARG 18 H ARG 18 16.830 -6.484 8.453 623 HA ARG 18 HA ARG 18 15.766 -5.163 6.073 624 HE ARG 18 HE ARG 18 13.874 -1.818 7.014 625 HB2 ARG 18 HB2 ARG 18 16.165 -4.219 8.846 626 HB3 ARG 18 HB3 ARG 18 15.991 -3.096 7.458 627 HG2 ARG 18 HG2 ARG 18 13.974 -5.139 8.405 628 HG3 ARG 18 HG3 ARG 18 13.950 -3.415 8.802 629 HD2 ARG 18 HD2 ARG 18 13.794 -4.584 6.032 630 HD3 ARG 18 HD3 ARG 18 12.450 -3.907 6.950 631 HH11 ARG 18 HH11 ARG 18 13.808 -4.043 4.296 632 HH12 ARG 18 HH12 ARG 18 14.237 -2.865 3.129 633 HH21 ARG 18 HH21 ARG 18 14.473 -0.246 5.507 634 HH22 ARG 18 HH22 ARG 18 14.637 -0.578 3.843 635 H LEU 19 H LEU 19 17.141 -3.840 5.008 636 HA LEU 19 HA LEU 19 19.975 -4.178 5.619 637 HG LEU 19 HG LEU 19 18.795 -1.978 2.731 638 HB2 LEU 19 HB2 LEU 19 20.437 -3.726 3.297 639 HB3 LEU 19 HB3 LEU 19 19.167 -4.916 3.347 640 HD11 LEU 19 HD11 LEU 19 20.026 -3.098 0.977 641 HD12 LEU 19 HD12 LEU 19 18.392 -2.731 0.433 642 HD13 LEU 19 HD13 LEU 19 18.810 -4.374 0.908 643 HD21 LEU 19 HD21 LEU 19 16.544 -2.654 1.928 644 HD22 LEU 19 HD22 LEU 19 16.741 -2.903 3.665 645 HD23 LEU 19 HD23 LEU 19 16.831 -4.273 2.562 646 HA PRO 20 HA PRO 20 20.236 0.069 6.737 647 HB2 PRO 20 HB2 PRO 20 22.646 0.791 5.606 648 HB3 PRO 20 HB3 PRO 20 22.477 -0.069 7.141 649 HG2 PRO 20 HG2 PRO 20 23.138 -1.135 4.440 650 HG3 PRO 20 HG3 PRO 20 23.746 -1.632 6.026 651 HD2 PRO 20 HD2 PRO 20 21.847 -2.985 4.640 652 HD3 PRO 20 HD3 PRO 20 21.930 -3.004 6.421 653 H VAL 21 H VAL 21 19.495 1.859 5.964 654 HA VAL 21 HA VAL 21 19.500 2.320 3.068 655 HB VAL 21 HB VAL 21 17.256 1.659 3.967 656 HG11 VAL 21 HG11 VAL 21 17.404 4.194 5.566 657 HG12 VAL 21 HG12 VAL 21 17.351 2.542 6.181 658 HG13 VAL 21 HG13 VAL 21 15.954 3.218 5.342 659 HG21 VAL 21 HG21 VAL 21 15.949 3.476 2.933 660 HG22 VAL 21 HG22 VAL 21 17.341 3.003 1.957 661 HG23 VAL 21 HG23 VAL 21 17.398 4.482 2.917 662 H SER 22 H SER 22 19.728 4.544 2.412 663 HA SER 22 HA SER 22 21.342 6.022 4.256 664 HG SER 22 HG SER 22 22.288 4.977 2.423 665 HB2 SER 22 HB2 SER 22 20.440 6.760 1.462 666 HB3 SER 22 HB3 SER 22 21.734 7.518 2.384 667 H ARG 23 H ARG 23 18.153 6.437 2.790 668 HA ARG 23 HA ARG 23 17.647 8.609 4.721 669 HE ARG 23 HE ARG 23 19.521 11.879 2.064 670 HB2 ARG 23 HB2 ARG 23 16.636 8.390 1.886 671 HB3 ARG 23 HB3 ARG 23 16.048 9.548 3.064 672 HG2 ARG 23 HG2 ARG 23 18.864 9.376 2.027 673 HG3 ARG 23 HG3 ARG 23 17.639 10.536 1.503 674 HD2 ARG 23 HD2 ARG 23 17.510 11.349 3.855 675 HD3 ARG 23 HD3 ARG 23 18.850 10.276 4.252 676 HH11 ARG 23 HH11 ARG 23 19.183 11.999 5.589 677 HH12 ARG 23 HH12 ARG 23 20.134 13.391 5.782 678 HH21 ARG 23 HH21 ARG 23 20.853 13.805 2.332 679 HH22 ARG 23 HH22 ARG 23 21.094 14.437 3.894 680 H ILE 24 H ILE 24 15.882 8.417 5.934 681 HA ILE 24 HA ILE 24 14.365 5.997 5.884 682 HB ILE 24 HB ILE 24 13.912 8.583 7.398 683 HG12 ILE 24 HG12 ILE 24 16.091 7.654 7.983 684 HG13 ILE 24 HG13 ILE 24 14.983 7.454 9.327 685 HG21 ILE 24 HG21 ILE 24 12.726 5.855 7.889 686 HG22 ILE 24 HG22 ILE 24 11.879 7.295 7.328 687 HG23 ILE 24 HG23 ILE 24 12.542 7.245 8.959 688 HD11 ILE 24 HD11 ILE 24 15.784 5.309 7.369 689 HD12 ILE 24 HD12 ILE 24 14.679 5.114 8.739 690 HD13 ILE 24 HD13 ILE 24 16.374 5.496 9.022 691 H LYS 25 H LYS 25 12.670 5.670 4.611 692 HA LYS 25 HA LYS 25 11.612 7.964 3.168 693 HB2 LYS 25 HB2 LYS 25 10.968 5.044 2.718 694 HB3 LYS 25 HB3 LYS 25 10.514 6.393 1.701 695 HG2 LYS 25 HG2 LYS 25 13.288 5.330 2.158 696 HG3 LYS 25 HG3 LYS 25 12.333 5.221 0.681 697 HD2 LYS 25 HD2 LYS 25 12.349 7.705 0.570 698 HD3 LYS 25 HD3 LYS 25 13.441 7.717 1.956 699 HE2 LYS 25 HE2 LYS 25 13.946 6.521 -0.757 700 HE3 LYS 25 HE3 LYS 25 14.717 7.939 -0.037 701 HZ1 LYS 25 HZ1 LYS 25 15.641 6.397 1.698 702 HZ2 LYS 25 HZ2 LYS 25 16.157 6.031 0.119 703 HZ3 LYS 25 HZ3 LYS 25 14.950 5.129 0.823 704 H THR 26 H THR 26 9.610 8.659 3.301 705 HA THR 26 HA THR 26 7.778 7.339 5.231 706 HB THR 26 HB THR 26 6.904 9.629 5.679 707 HG1 THR 26 HG1 THR 26 9.285 10.502 4.411 708 HG21 THR 26 HG21 THR 26 9.839 9.253 6.305 709 HG22 THR 26 HG22 THR 26 8.486 8.620 7.242 710 HG23 THR 26 HG23 THR 26 8.748 10.359 7.141 711 H TYR 27 H TYR 27 5.976 6.727 4.436 712 HA TYR 27 HA TYR 27 5.053 7.994 1.981 713 HD1 TYR 27 HD1 TYR 27 4.780 6.727 -0.612 714 HD2 TYR 27 HD2 TYR 27 7.619 5.073 2.067 715 HE1 TYR 27 HE1 TYR 27 6.442 6.839 -2.361 716 HE2 TYR 27 HE2 TYR 27 9.331 5.162 0.320 717 HH TYR 27 HH TYR 27 9.491 5.272 -2.069 718 HB2 TYR 27 HB2 TYR 27 5.245 5.067 2.568 719 HB3 TYR 27 HB3 TYR 27 4.077 5.697 1.412 720 H THR 28 H THR 28 3.126 8.656 2.001 721 HA THR 28 HA THR 28 1.573 7.835 4.315 722 HB THR 28 HB THR 28 0.589 10.067 4.438 723 HG1 THR 28 HG1 THR 28 2.030 10.385 2.041 724 HG21 THR 28 HG21 THR 28 3.576 10.329 4.171 725 HG22 THR 28 HG22 THR 28 2.794 9.580 5.523 726 HG23 THR 28 HG23 THR 28 2.523 11.308 5.204 727 H ILE 29 H ILE 29 -0.301 6.979 3.927 728 HA ILE 29 HA ILE 29 -1.570 7.497 1.327 729 HB ILE 29 HB ILE 29 -1.533 4.919 2.919 730 HG12 ILE 29 HG12 ILE 29 -0.555 5.620 0.144 731 HG13 ILE 29 HG13 ILE 29 0.440 5.279 1.553 732 HG21 ILE 29 HG21 ILE 29 -3.016 3.928 1.240 733 HG22 ILE 29 HG22 ILE 29 -3.188 5.493 0.446 734 HG23 ILE 29 HG23 ILE 29 -3.805 5.254 2.083 735 HD11 ILE 29 HD11 ILE 29 0.417 3.388 0.073 736 HD12 ILE 29 HD12 ILE 29 -1.341 3.378 0.082 737 HD13 ILE 29 HD13 ILE 29 -0.464 2.977 1.554 738 H THR 30 H THR 30 -3.407 8.531 1.511 739 HA THR 30 HA THR 30 -4.807 8.226 4.022 740 HB THR 30 HB THR 30 -4.067 10.525 3.815 741 HG1 THR 30 HG1 THR 30 -6.483 11.354 3.258 742 HG21 THR 30 HG21 THR 30 -5.513 10.530 1.196 743 HG22 THR 30 HG22 THR 30 -3.768 10.648 1.411 744 HG23 THR 30 HG23 THR 30 -4.815 11.976 1.951 745 H GLU 31 H GLU 31 -6.518 7.171 3.874 746 HA GLU 31 HA GLU 31 -7.888 6.892 1.299 747 HB2 GLU 31 HB2 GLU 31 -6.661 4.870 1.703 748 HB3 GLU 31 HB3 GLU 31 -7.271 4.757 3.342 749 HG2 GLU 31 HG2 GLU 31 -8.283 3.130 1.816 750 HG3 GLU 31 HG3 GLU 31 -9.468 4.214 2.538 751 H GLY 32 H GLY 32 -9.519 8.260 1.645 752 HA2 GLY 32 HA2 GLY 32 -11.658 8.837 2.210 753 HA3 GLY 32 HA3 GLY 32 -11.798 7.305 3.040 754 H SER 33 H SER 33 -10.470 7.329 5.154 755 HA SER 33 HA SER 33 -10.710 9.899 6.506 756 HG SER 33 HG SER 33 -12.897 9.723 6.035 757 HB2 SER 33 HB2 SER 33 -12.165 7.423 7.398 758 HB3 SER 33 HB3 SER 33 -12.099 8.947 8.285 759 H LEU 34 H LEU 34 -8.498 7.793 5.837 760 HA LEU 34 HA LEU 34 -7.319 8.244 8.396 761 HG LEU 34 HG LEU 34 -6.207 5.114 6.652 762 HB2 LEU 34 HB2 LEU 34 -6.496 6.054 8.901 763 HB3 LEU 34 HB3 LEU 34 -8.230 5.937 8.710 764 HD11 LEU 34 HD11 LEU 34 -6.713 2.820 7.402 765 HD12 LEU 34 HD12 LEU 34 -7.751 3.478 8.671 766 HD13 LEU 34 HD13 LEU 34 -6.019 3.804 8.693 767 HD21 LEU 34 HD21 LEU 34 -8.434 5.684 5.791 768 HD22 LEU 34 HD22 LEU 34 -9.147 4.526 6.912 769 HD23 LEU 34 HD23 LEU 34 -8.087 3.966 5.619 770 H ARG 35 H ARG 35 -5.398 8.681 8.383 771 HA ARG 35 HA ARG 35 -3.852 8.566 5.885 772 HE ARG 35 HE ARG 35 -3.367 12.110 5.726 773 HB2 ARG 35 HB2 ARG 35 -4.069 10.733 6.914 774 HB3 ARG 35 HB3 ARG 35 -3.536 10.113 8.460 775 HG2 ARG 35 HG2 ARG 35 -1.679 11.260 7.601 776 HG3 ARG 35 HG3 ARG 35 -1.360 9.558 7.262 777 HD2 ARG 35 HD2 ARG 35 -0.782 10.914 5.386 778 HD3 ARG 35 HD3 ARG 35 -2.165 9.889 4.954 779 HH11 ARG 35 HH11 ARG 35 -0.558 11.697 3.562 780 HH12 ARG 35 HH12 ARG 35 -0.808 13.154 2.742 781 HH21 ARG 35 HH21 ARG 35 -3.690 14.135 4.525 782 HH22 ARG 35 HH22 ARG 35 -2.600 14.564 3.310 783 H ALA 36 H ALA 36 -2.599 6.768 5.784 784 HA ALA 36 HA ALA 36 -1.418 5.728 8.266 785 HB1 ALA 36 HB1 ALA 36 -2.765 4.117 7.006 786 HB2 ALA 36 HB2 ALA 36 -1.067 3.647 7.015 787 HB3 ALA 36 HB3 ALA 36 -1.769 4.394 5.579 788 H VAL 37 H VAL 37 0.726 5.773 8.525 789 HA VAL 37 HA VAL 37 2.341 6.703 6.231 790 HB VAL 37 HB VAL 37 2.914 7.288 9.145 791 HG11 VAL 37 HG11 VAL 37 4.643 8.807 8.275 792 HG12 VAL 37 HG12 VAL 37 4.281 8.265 6.634 793 HG13 VAL 37 HG13 VAL 37 4.939 7.131 7.814 794 HG21 VAL 37 HG21 VAL 37 1.013 8.596 8.471 795 HG22 VAL 37 HG22 VAL 37 1.847 9.014 6.965 796 HG23 VAL 37 HG23 VAL 37 2.469 9.629 8.483 797 H ILE 38 H ILE 38 3.882 5.433 5.590 798 HA ILE 38 HA ILE 38 4.779 3.244 7.261 799 HB ILE 38 HB ILE 38 4.779 3.818 4.309 800 HG12 ILE 38 HG12 ILE 38 3.659 1.527 5.890 801 HG13 ILE 38 HG13 ILE 38 2.750 2.934 5.344 802 HG21 ILE 38 HG21 ILE 38 6.175 1.532 5.674 803 HG22 ILE 38 HG22 ILE 38 6.944 2.863 4.798 804 HG23 ILE 38 HG23 ILE 38 5.921 1.713 3.936 805 HD11 ILE 38 HD11 ILE 38 2.991 2.385 3.163 806 HD12 ILE 38 HD12 ILE 38 2.505 0.894 3.943 807 HD13 ILE 38 HD13 ILE 38 4.206 1.109 3.444 808 H PHE 39 H PHE 39 6.657 3.531 8.222 809 HA PHE 39 HA PHE 39 8.558 5.457 7.108 810 HD1 PHE 39 HD1 PHE 39 9.139 7.658 9.093 811 HD2 PHE 39 HD2 PHE 39 6.256 4.856 10.470 812 HE1 PHE 39 HE1 PHE 39 7.755 9.507 9.944 813 HE2 PHE 39 HE2 PHE 39 4.871 6.696 11.324 814 HZ PHE 39 HZ PHE 39 5.617 9.024 11.064 815 HB2 PHE 39 HB2 PHE 39 8.460 4.156 9.843 816 HB3 PHE 39 HB3 PHE 39 9.678 5.302 9.308 817 H ILE 40 H ILE 40 9.960 4.586 5.860 818 HA ILE 40 HA ILE 40 10.638 1.767 6.094 819 HB ILE 40 HB ILE 40 11.674 3.903 4.229 820 HG12 ILE 40 HG12 ILE 40 9.281 3.583 3.781 821 HG13 ILE 40 HG13 ILE 40 10.239 2.895 2.487 822 HG21 ILE 40 HG21 ILE 40 12.460 2.029 2.815 823 HG22 ILE 40 HG22 ILE 40 12.045 0.929 4.144 824 HG23 ILE 40 HG23 ILE 40 13.269 2.166 4.374 825 HD11 ILE 40 HD11 ILE 40 9.820 0.654 3.362 826 HD12 ILE 40 HD12 ILE 40 8.335 1.556 3.047 827 HD13 ILE 40 HD13 ILE 40 8.890 1.380 4.697 828 H THR 41 H THR 41 12.140 1.306 7.595 829 HA THR 41 HA THR 41 14.271 3.254 7.987 830 HB THR 41 HB THR 41 14.377 2.514 10.333 831 HG1 THR 41 HG1 THR 41 11.909 1.411 10.438 832 HG21 THR 41 HG21 THR 41 11.630 3.488 9.517 833 HG22 THR 41 HG22 THR 41 13.036 4.505 9.825 834 HG23 THR 41 HG23 THR 41 12.304 3.588 11.140 835 H LYS 42 H LYS 42 16.081 1.957 9.357 836 HA LYS 42 HA LYS 42 16.791 -0.223 7.566 837 HB2 LYS 42 HB2 LYS 42 19.110 0.097 8.440 838 HB3 LYS 42 HB3 LYS 42 18.466 1.531 7.665 839 HG2 LYS 42 HG2 LYS 42 19.660 2.259 9.584 840 HG3 LYS 42 HG3 LYS 42 17.957 2.400 9.993 841 HD2 LYS 42 HD2 LYS 42 18.140 0.164 11.121 842 HD3 LYS 42 HD3 LYS 42 19.877 0.236 10.849 843 HE2 LYS 42 HE2 LYS 42 18.236 2.199 12.409 844 HE3 LYS 42 HE3 LYS 42 19.215 0.928 13.102 845 HZ1 LYS 42 HZ1 LYS 42 21.187 1.982 12.086 846 HZ2 LYS 42 HZ2 LYS 42 20.428 2.971 13.198 847 HZ3 LYS 42 HZ3 LYS 42 20.221 3.273 11.551 848 H ARG 43 H ARG 43 15.660 0.288 10.714 849 HA ARG 43 HA ARG 43 16.855 -2.193 11.727 850 HE ARG 43 HE ARG 43 16.319 -2.213 16.853 851 HB2 ARG 43 HB2 ARG 43 16.949 -0.078 13.047 852 HB3 ARG 43 HB3 ARG 43 15.202 -0.089 13.110 853 HG2 ARG 43 HG2 ARG 43 15.251 -2.123 14.459 854 HG3 ARG 43 HG3 ARG 43 17.019 -2.151 14.360 855 HD2 ARG 43 HD2 ARG 43 17.067 0.101 15.397 856 HD3 ARG 43 HD3 ARG 43 15.321 0.019 15.582 857 HH11 ARG 43 HH11 ARG 43 16.564 1.295 17.184 858 HH12 ARG 43 HH12 ARG 43 16.953 1.278 18.829 859 HH21 ARG 43 HH21 ARG 43 16.852 -2.256 19.151 860 HH22 ARG 43 HH22 ARG 43 17.108 -0.792 19.976 861 H GLY 44 H GLY 44 13.973 -0.899 10.451 862 HA2 GLY 44 HA2 GLY 44 12.689 -3.431 10.331 863 HA3 GLY 44 HA3 GLY 44 12.070 -2.523 11.687 864 H LEU 45 H LEU 45 10.084 -2.294 10.950 865 HA LEU 45 HA LEU 45 9.667 -0.273 8.911 866 HG LEU 45 HG LEU 45 7.110 -2.492 6.949 867 HB2 LEU 45 HB2 LEU 45 9.307 -2.357 7.727 868 HB3 LEU 45 HB3 LEU 45 8.397 -3.013 9.050 869 HD11 LEU 45 HD11 LEU 45 5.147 -1.497 8.037 870 HD12 LEU 45 HD12 LEU 45 6.119 -1.134 9.461 871 HD13 LEU 45 HD13 LEU 45 5.847 -2.806 8.972 872 HD21 LEU 45 HD21 LEU 45 7.570 0.362 7.783 873 HD22 LEU 45 HD22 LEU 45 6.456 -0.199 6.529 874 HD23 LEU 45 HD23 LEU 45 8.191 -0.424 6.324 875 H LYS 46 H LYS 46 8.484 1.297 9.774 876 HA LYS 46 HA LYS 46 6.773 0.598 12.027 877 HB2 LYS 46 HB2 LYS 46 8.614 1.814 12.960 878 HB3 LYS 46 HB3 LYS 46 8.495 3.067 11.736 879 HG2 LYS 46 HG2 LYS 46 6.507 3.950 12.706 880 HG3 LYS 46 HG3 LYS 46 6.307 2.535 13.746 881 HD2 LYS 46 HD2 LYS 46 8.152 3.068 14.996 882 HD3 LYS 46 HD3 LYS 46 8.675 4.386 13.914 883 HE2 LYS 46 HE2 LYS 46 6.178 4.276 15.629 884 HE3 LYS 46 HE3 LYS 46 7.634 5.185 16.028 885 HZ1 LYS 46 HZ1 LYS 46 5.985 6.640 15.088 886 HZ2 LYS 46 HZ2 LYS 46 5.838 5.705 13.693 887 HZ3 LYS 46 HZ3 LYS 46 7.264 6.538 14.043 888 H VAL 47 H VAL 47 4.867 1.615 12.271 889 HA VAL 47 HA VAL 47 3.919 3.000 9.878 890 HB VAL 47 HB VAL 47 3.371 0.568 9.821 891 HG11 VAL 47 HG11 VAL 47 1.683 1.223 12.221 892 HG12 VAL 47 HG12 VAL 47 3.042 0.112 12.142 893 HG13 VAL 47 HG13 VAL 47 1.538 -0.263 11.287 894 HG21 VAL 47 HG21 VAL 47 2.052 2.133 8.542 895 HG22 VAL 47 HG22 VAL 47 1.062 2.483 9.957 896 HG23 VAL 47 HG23 VAL 47 0.990 0.885 9.207 897 H CYS 48 H CYS 48 2.440 4.542 10.228 898 HA CYS 48 HA CYS 48 1.413 4.855 12.951 899 HB2 CYS 48 HB2 CYS 48 2.613 7.003 11.229 900 HB3 CYS 48 HB3 CYS 48 1.499 7.357 12.546 901 H ALA 49 H ALA 49 -0.627 5.492 13.169 902 HA ALA 49 HA ALA 49 -2.080 5.803 10.644 903 HB1 ALA 49 HB1 ALA 49 -4.039 4.927 11.804 904 HB2 ALA 49 HB2 ALA 49 -3.080 4.753 13.277 905 HB3 ALA 49 HB3 ALA 49 -2.678 3.804 11.849 906 H ASP 50 H ASP 50 -2.889 7.768 10.399 907 HA ASP 50 HA ASP 50 -3.692 9.398 12.708 908 HB2 ASP 50 HB2 ASP 50 -1.816 10.481 11.602 909 HB3 ASP 50 HB3 ASP 50 -2.540 10.310 10.026 910 HA PRO 51 HA PRO 51 -7.316 8.401 10.293 911 HB2 PRO 51 HB2 PRO 51 -8.845 7.554 12.274 912 HB3 PRO 51 HB3 PRO 51 -7.522 6.568 11.643 913 HG2 PRO 51 HG2 PRO 51 -7.698 8.071 14.196 914 HG3 PRO 51 HG3 PRO 51 -6.771 6.614 13.812 915 HD2 PRO 51 HD2 PRO 51 -5.836 9.309 13.885 916 HD3 PRO 51 HD3 PRO 51 -4.940 7.859 13.387 917 H GLN 52 H GLN 52 -8.743 9.747 9.653 918 HA GLN 52 HA GLN 52 -10.359 11.287 9.517 919 HB2 GLN 52 HB2 GLN 52 -10.665 10.819 12.484 920 HB3 GLN 52 HB3 GLN 52 -11.874 11.509 11.404 921 HG2 GLN 52 HG2 GLN 52 -11.901 9.393 10.130 922 HG3 GLN 52 HG3 GLN 52 -10.766 8.704 11.258 923 HE21 GLN 52 HE21 GLN 52 -11.492 8.115 13.348 924 HE22 GLN 52 HE22 GLN 52 -13.180 8.043 13.718 925 H ALA 53 H ALA 53 -7.520 12.106 10.481 926 HA ALA 53 HA ALA 53 -8.218 14.623 11.747 927 HB1 ALA 53 HB1 ALA 53 -5.870 14.864 12.265 928 HB2 ALA 53 HB2 ALA 53 -5.504 13.401 11.349 929 HB3 ALA 53 HB3 ALA 53 -6.477 13.306 12.815 930 H THR 54 H THR 54 -7.559 16.569 11.015 931 HA THR 54 HA THR 54 -7.089 18.243 9.654 932 HB THR 54 HB THR 54 -5.482 16.247 8.028 933 HG1 THR 54 HG1 THR 54 -4.355 16.331 9.795 934 HG21 THR 54 HG21 THR 54 -5.998 18.315 6.771 935 HG22 THR 54 HG22 THR 54 -4.285 18.225 7.185 936 HG23 THR 54 HG23 THR 54 -5.365 19.275 8.108 937 H TRP 55 H TRP 55 -7.381 15.631 7.209 938 HA TRP 55 HA TRP 55 -9.843 16.413 6.191 939 HD1 TRP 55 HD1 TRP 55 -11.219 17.585 4.869 940 HE1 TRP 55 HE1 TRP 55 -12.175 18.173 2.516 941 HE3 TRP 55 HE3 TRP 55 -6.834 18.313 2.447 942 HZ2 TRP 55 HZ2 TRP 55 -11.128 18.869 -0.022 943 HZ3 TRP 55 HZ3 TRP 55 -6.865 18.939 0.066 944 HH2 TRP 55 HH2 TRP 55 -8.971 19.210 -1.137 945 HB2 TRP 55 HB2 TRP 55 -8.468 18.493 5.687 946 HB3 TRP 55 HB3 TRP 55 -7.439 17.488 4.677 947 H VAL 56 H VAL 56 -10.314 14.982 4.435 948 HA VAL 56 HA VAL 56 -8.843 12.608 4.293 949 HB VAL 56 HB VAL 56 -11.176 12.510 3.705 950 HG11 VAL 56 HG11 VAL 56 -11.475 14.774 2.838 951 HG12 VAL 56 HG12 VAL 56 -12.119 13.584 1.707 952 HG13 VAL 56 HG13 VAL 56 -10.560 14.348 1.391 953 HG21 VAL 56 HG21 VAL 56 -11.141 11.354 1.533 954 HG22 VAL 56 HG22 VAL 56 -9.771 10.880 2.540 955 HG23 VAL 56 HG23 VAL 56 -9.537 12.014 1.213 956 H ARG 57 H ARG 57 -8.911 15.307 2.074 957 HA ARG 57 HA ARG 57 -7.595 16.044 0.421 958 HE ARG 57 HE ARG 57 -3.534 13.727 0.030 959 HB2 ARG 57 HB2 ARG 57 -5.745 15.837 2.135 960 HB3 ARG 57 HB3 ARG 57 -5.382 14.250 1.464 961 HG2 ARG 57 HG2 ARG 57 -5.063 15.384 -0.766 962 HG3 ARG 57 HG3 ARG 57 -5.156 16.921 0.086 963 HD2 ARG 57 HD2 ARG 57 -2.860 16.458 -0.140 964 HD3 ARG 57 HD3 ARG 57 -3.247 16.049 1.532 965 HH11 ARG 57 HH11 ARG 57 -0.880 15.876 1.025 966 HH12 ARG 57 HH12 ARG 57 0.336 14.717 0.764 967 HH21 ARG 57 HH21 ARG 57 -1.842 12.154 -0.326 968 HH22 ARG 57 HH22 ARG 57 -0.215 12.553 -0.046 969 H ASP 58 H ASP 58 -8.921 15.000 -1.135 970 HA ASP 58 HA ASP 58 -7.372 12.924 -2.432 971 HB2 ASP 58 HB2 ASP 58 -9.390 11.920 -3.415 972 HB3 ASP 58 HB3 ASP 58 -9.537 11.946 -1.674 973 H VAL 59 H VAL 59 -6.321 13.697 -3.981 974 HA VAL 59 HA VAL 59 -7.442 15.925 -5.500 975 HB VAL 59 HB VAL 59 -5.926 16.748 -3.736 976 HG11 VAL 59 HG11 VAL 59 -3.795 15.110 -5.057 977 HG12 VAL 59 HG12 VAL 59 -4.470 14.886 -3.441 978 HG13 VAL 59 HG13 VAL 59 -3.519 16.326 -3.810 979 HG21 VAL 59 HG21 VAL 59 -6.053 18.081 -5.752 980 HG22 VAL 59 HG22 VAL 59 -4.805 17.096 -6.518 981 HG23 VAL 59 HG23 VAL 59 -4.405 18.112 -5.136 982 H VAL 60 H VAL 60 -6.541 16.156 -7.626 983 HA VAL 60 HA VAL 60 -5.554 13.664 -8.756 984 HB VAL 60 HB VAL 60 -6.509 16.179 -10.169 985 HG11 VAL 60 HG11 VAL 60 -6.019 13.401 -11.233 986 HG12 VAL 60 HG12 VAL 60 -5.030 14.826 -11.549 987 HG13 VAL 60 HG13 VAL 60 -6.683 14.748 -12.155 988 HG21 VAL 60 HG21 VAL 60 -8.325 15.179 -8.881 989 HG22 VAL 60 HG22 VAL 60 -8.002 13.618 -9.634 990 HG23 VAL 60 HG23 VAL 60 -8.594 14.960 -10.614 Start of MODEL 11 1 HA VAL 1 HA VAL 1 16.039 -5.418 25.628 2 HB VAL 1 HB VAL 1 15.117 -7.641 25.042 3 H1 VAL 1 H1 VAL 1 14.049 -4.111 25.571 4 H2 VAL 1 H2 VAL 1 13.976 -4.240 23.896 5 H3 VAL 1 H3 VAL 1 15.283 -3.461 24.622 6 HG11 VAL 1 HG11 VAL 1 13.125 -5.817 26.370 7 HG12 VAL 1 HG12 VAL 1 14.478 -6.645 27.146 8 HG13 VAL 1 HG13 VAL 1 13.137 -7.575 26.480 9 HG21 VAL 1 HG21 VAL 1 12.882 -7.862 24.057 10 HG22 VAL 1 HG22 VAL 1 13.980 -7.057 22.939 11 HG23 VAL 1 HG23 VAL 1 12.800 -6.112 23.845 12 H GLY 2 H GLY 2 14.938 -4.855 22.288 13 HA2 GLY 2 HA2 GLY 2 17.268 -4.562 21.147 14 HA3 GLY 2 HA3 GLY 2 17.232 -6.307 21.337 15 H SER 3 H SER 3 16.859 -7.106 19.434 16 HA SER 3 HA SER 3 14.475 -6.333 17.983 17 HG SER 3 HG SER 3 17.812 -6.634 17.675 18 HB2 SER 3 HB2 SER 3 15.843 -6.080 15.881 19 HB3 SER 3 HB3 SER 3 16.070 -4.791 17.066 20 H GLU 4 H GLU 4 13.601 -8.136 16.989 21 HA GLU 4 HA GLU 4 15.399 -10.370 16.929 22 HB2 GLU 4 HB2 GLU 4 13.465 -11.931 17.108 23 HB3 GLU 4 HB3 GLU 4 13.668 -10.907 18.502 24 HG2 GLU 4 HG2 GLU 4 11.372 -10.960 18.260 25 HG3 GLU 4 HG3 GLU 4 11.771 -9.493 17.383 26 H VAL 5 H VAL 5 16.313 -10.482 15.141 27 HA VAL 5 HA VAL 5 14.726 -10.028 12.757 28 HB VAL 5 HB VAL 5 16.895 -9.820 11.527 29 HG11 VAL 5 HG11 VAL 5 15.724 -7.848 12.315 30 HG12 VAL 5 HG12 VAL 5 17.466 -7.610 12.431 31 HG13 VAL 5 HG13 VAL 5 16.527 -7.975 13.881 32 HG21 VAL 5 HG21 VAL 5 18.110 -9.917 14.295 33 HG22 VAL 5 HG22 VAL 5 18.968 -9.514 12.805 34 HG23 VAL 5 HG23 VAL 5 18.313 -11.137 13.041 35 H SER 6 H SER 6 14.228 -11.517 11.406 36 HA SER 6 HA SER 6 15.678 -13.971 11.143 37 HG SER 6 HG SER 6 15.112 -13.983 13.422 38 HB2 SER 6 HB2 SER 6 12.793 -13.920 12.100 39 HB3 SER 6 HB3 SER 6 13.714 -15.364 11.685 40 H ASP 7 H ASP 7 14.451 -15.234 9.353 41 HA ASP 7 HA ASP 7 13.667 -13.339 7.316 42 HB2 ASP 7 HB2 ASP 7 13.716 -16.370 7.223 43 HB3 ASP 7 HB3 ASP 7 13.555 -15.303 5.836 44 H LYS 8 H LYS 8 11.737 -12.489 7.863 45 HA LYS 8 HA LYS 8 9.343 -14.132 7.923 46 HB2 LYS 8 HB2 LYS 8 8.713 -13.352 10.173 47 HB3 LYS 8 HB3 LYS 8 10.131 -14.394 10.221 48 HG2 LYS 8 HG2 LYS 8 11.584 -12.414 10.373 49 HG3 LYS 8 HG3 LYS 8 10.166 -11.374 10.338 50 HD2 LYS 8 HD2 LYS 8 10.775 -13.422 12.479 51 HD3 LYS 8 HD3 LYS 8 11.104 -11.698 12.614 52 HE2 LYS 8 HE2 LYS 8 8.678 -11.275 12.309 53 HE3 LYS 8 HE3 LYS 8 8.413 -13.014 12.302 54 HZ1 LYS 8 HZ1 LYS 8 8.028 -12.059 14.502 55 HZ2 LYS 8 HZ2 LYS 8 9.610 -11.488 14.564 56 HZ3 LYS 8 HZ3 LYS 8 9.324 -13.121 14.551 57 H ARG 9 H ARG 9 7.478 -12.781 8.145 58 HA ARG 9 HA ARG 9 8.008 -10.020 7.456 59 HE ARG 9 HE ARG 9 3.623 -13.855 7.011 60 HB2 ARG 9 HB2 ARG 9 5.716 -10.017 6.352 61 HB3 ARG 9 HB3 ARG 9 6.913 -11.010 5.558 62 HG2 ARG 9 HG2 ARG 9 4.875 -12.174 5.486 63 HG3 ARG 9 HG3 ARG 9 5.874 -12.989 6.707 64 HD2 ARG 9 HD2 ARG 9 4.609 -11.663 8.424 65 HD3 ARG 9 HD3 ARG 9 3.559 -11.099 7.129 66 HH11 ARG 9 HH11 ARG 9 2.421 -11.316 9.159 67 HH12 ARG 9 HH12 ARG 9 1.275 -12.284 9.941 68 HH21 ARG 9 HH21 ARG 9 2.049 -15.218 8.083 69 HH22 ARG 9 HH22 ARG 9 1.070 -14.590 9.328 70 H THR 10 H THR 10 7.270 -8.466 8.753 71 HA THR 10 HA THR 10 5.966 -9.407 11.167 72 HB THR 10 HB THR 10 6.830 -7.186 12.036 73 HG1 THR 10 HG1 THR 10 7.198 -6.388 9.831 74 HG21 THR 10 HG21 THR 10 9.128 -8.044 12.312 75 HG22 THR 10 HG22 THR 10 8.820 -9.243 11.055 76 HG23 THR 10 HG23 THR 10 7.919 -9.301 12.574 77 H CYS 11 H CYS 11 4.198 -8.209 12.067 78 HA CYS 11 HA CYS 11 2.908 -6.304 10.240 79 HB2 CYS 11 HB2 CYS 11 1.467 -8.647 11.539 80 HB3 CYS 11 HB3 CYS 11 0.737 -7.393 10.561 81 H VAL 12 H VAL 12 1.324 -5.017 11.223 82 HA VAL 12 HA VAL 12 1.361 -4.871 14.182 83 HB VAL 12 HB VAL 12 1.522 -2.532 12.258 84 HG11 VAL 12 HG11 VAL 12 1.311 -2.515 15.261 85 HG12 VAL 12 HG12 VAL 12 0.058 -2.039 14.117 86 HG13 VAL 12 HG13 VAL 12 1.547 -1.100 14.227 87 HG21 VAL 12 HG21 VAL 12 3.453 -3.477 14.359 88 HG22 VAL 12 HG22 VAL 12 3.635 -2.039 13.353 89 HG23 VAL 12 HG23 VAL 12 3.640 -3.638 12.614 90 H SER 13 H SER 13 -0.620 -4.735 15.068 91 HA SER 13 HA SER 13 -2.843 -3.753 13.429 92 HG SER 13 HG SER 13 -2.264 -5.214 16.465 93 HB2 SER 13 HB2 SER 13 -4.311 -5.087 14.943 94 HB3 SER 13 HB3 SER 13 -3.181 -6.079 14.018 95 H LEU 14 H LEU 14 -3.707 -1.896 14.079 96 HA LEU 14 HA LEU 14 -3.406 -1.043 16.864 97 HG LEU 14 HG LEU 14 -0.989 -0.649 15.116 98 HB2 LEU 14 HB2 LEU 14 -2.999 0.605 14.368 99 HB3 LEU 14 HB3 LEU 14 -3.127 1.288 15.974 100 HD11 LEU 14 HD11 LEU 14 -0.908 2.328 15.500 101 HD12 LEU 14 HD12 LEU 14 -0.773 1.481 13.965 102 HD13 LEU 14 HD13 LEU 14 0.490 1.297 15.185 103 HD21 LEU 14 HD21 LEU 14 0.054 0.057 17.245 104 HD22 LEU 14 HD22 LEU 14 -1.478 -0.788 17.470 105 HD23 LEU 14 HD23 LEU 14 -1.413 0.964 17.614 106 H THR 15 H THR 15 -5.279 -0.624 17.736 107 HA THR 15 HA THR 15 -7.491 0.027 15.939 108 HB THR 15 HB THR 15 -8.933 -1.321 17.546 109 HG1 THR 15 HG1 THR 15 -7.567 -1.523 19.269 110 HG21 THR 15 HG21 THR 15 -6.781 -2.811 16.021 111 HG22 THR 15 HG22 THR 15 -8.283 -2.189 15.335 112 HG23 THR 15 HG23 THR 15 -8.328 -3.486 16.533 113 H THR 16 H THR 16 -8.054 2.053 16.352 114 HA THR 16 HA THR 16 -9.032 2.663 18.916 115 HB THR 16 HB THR 16 -6.874 3.281 19.554 116 HG1 THR 16 HG1 THR 16 -8.566 4.851 19.935 117 HG21 THR 16 HG21 THR 16 -5.798 3.371 17.340 118 HG22 THR 16 HG22 THR 16 -5.361 4.771 18.311 119 HG23 THR 16 HG23 THR 16 -6.536 4.924 17.005 120 H GLN 17 H GLN 17 -8.092 5.248 16.638 121 HA GLN 17 HA GLN 17 -10.888 6.015 16.583 122 HB2 GLN 17 HB2 GLN 17 -9.096 7.646 17.213 123 HB3 GLN 17 HB3 GLN 17 -8.416 7.454 15.610 124 HG2 GLN 17 HG2 GLN 17 -9.660 9.533 15.796 125 HG3 GLN 17 HG3 GLN 17 -10.438 8.449 14.644 126 HE21 GLN 17 HE21 GLN 17 -12.439 7.671 15.089 127 HE22 GLN 17 HE22 GLN 17 -13.418 8.203 16.410 128 H ARG 18 H ARG 18 -11.746 4.631 15.140 129 HA ARG 18 HA ARG 18 -10.816 4.904 12.412 130 HE ARG 18 HE ARG 18 -12.539 1.308 16.304 131 HB2 ARG 18 HB2 ARG 18 -11.517 2.416 12.099 132 HB3 ARG 18 HB3 ARG 18 -9.970 2.793 12.840 133 HG2 ARG 18 HG2 ARG 18 -10.988 1.013 14.044 134 HG3 ARG 18 HG3 ARG 18 -10.970 2.444 15.055 135 HD2 ARG 18 HD2 ARG 18 -13.360 2.870 14.156 136 HD3 ARG 18 HD3 ARG 18 -13.318 1.183 13.662 137 HH11 ARG 18 HH11 ARG 18 -15.420 1.834 14.347 138 HH12 ARG 18 HH12 ARG 18 -16.544 1.649 15.600 139 HH21 ARG 18 HH21 ARG 18 -14.058 1.113 18.097 140 HH22 ARG 18 HH22 ARG 18 -15.743 1.223 17.813 141 H LEU 19 H LEU 19 -12.294 4.693 10.767 142 HA LEU 19 HA LEU 19 -15.053 5.201 11.608 143 HG LEU 19 HG LEU 19 -13.859 5.340 7.965 144 HB2 LEU 19 HB2 LEU 19 -15.377 6.511 9.588 145 HB3 LEU 19 HB3 LEU 19 -13.975 7.113 10.425 146 HD11 LEU 19 HD11 LEU 19 -13.275 7.380 6.753 147 HD12 LEU 19 HD12 LEU 19 -13.574 8.324 8.210 148 HD13 LEU 19 HD13 LEU 19 -14.899 7.458 7.431 149 HD21 LEU 19 HD21 LEU 19 -11.534 6.160 7.809 150 HD22 LEU 19 HD22 LEU 19 -11.788 5.205 9.262 151 HD23 LEU 19 HD23 LEU 19 -11.720 6.972 9.357 152 HA PRO 20 HA PRO 20 -16.223 1.512 9.455 153 HB2 PRO 20 HB2 PRO 20 -18.578 2.272 8.250 154 HB3 PRO 20 HB3 PRO 20 -18.451 1.826 9.953 155 HG2 PRO 20 HG2 PRO 20 -18.530 4.529 8.700 156 HG3 PRO 20 HG3 PRO 20 -19.284 3.968 10.202 157 HD2 PRO 20 HD2 PRO 20 -17.013 5.427 10.130 158 HD3 PRO 20 HD3 PRO 20 -17.329 4.236 11.421 159 H VAL 21 H VAL 21 -15.746 0.660 7.594 160 HA VAL 21 HA VAL 21 -15.467 2.381 5.244 161 HB VAL 21 HB VAL 21 -13.263 1.851 6.314 162 HG11 VAL 21 HG11 VAL 21 -13.680 -0.325 7.195 163 HG12 VAL 21 HG12 VAL 21 -12.294 -0.384 6.105 164 HG13 VAL 21 HG13 VAL 21 -13.864 -0.990 5.574 165 HG21 VAL 21 HG21 VAL 21 -12.088 1.168 4.267 166 HG22 VAL 21 HG22 VAL 21 -13.314 2.399 3.958 167 HG23 VAL 21 HG23 VAL 21 -13.632 0.711 3.551 168 H SER 22 H SER 22 -15.965 1.421 3.236 169 HA SER 22 HA SER 22 -17.878 -0.733 3.495 170 HG SER 22 HG SER 22 -19.532 1.329 2.263 171 HB2 SER 22 HB2 SER 22 -17.114 0.965 1.120 172 HB3 SER 22 HB3 SER 22 -18.506 -0.109 1.227 173 H ARG 23 H ARG 23 -14.776 -0.101 2.026 174 HA ARG 23 HA ARG 23 -14.671 -2.886 1.114 175 HE ARG 23 HE ARG 23 -13.531 -2.996 -2.357 176 HB2 ARG 23 HB2 ARG 23 -13.607 -0.392 -0.166 177 HB3 ARG 23 HB3 ARG 23 -13.107 -2.010 -0.648 178 HG2 ARG 23 HG2 ARG 23 -15.958 -1.043 -0.699 179 HG3 ARG 23 HG3 ARG 23 -14.866 -0.957 -2.081 180 HD2 ARG 23 HD2 ARG 23 -15.660 -3.483 -0.623 181 HD3 ARG 23 HD3 ARG 23 -16.300 -2.947 -2.176 182 HH11 ARG 23 HH11 ARG 23 -16.150 -5.306 -1.991 183 HH12 ARG 23 HH12 ARG 23 -15.384 -6.556 -2.841 184 HH21 ARG 23 HH21 ARG 23 -12.423 -4.695 -3.505 185 HH22 ARG 23 HH22 ARG 23 -13.175 -6.195 -3.735 186 H ILE 24 H ILE 24 -13.005 -4.040 1.859 187 HA ILE 24 HA ILE 24 -11.059 -2.869 3.606 188 HB ILE 24 HB ILE 24 -11.130 -5.626 2.327 189 HG12 ILE 24 HG12 ILE 24 -13.048 -5.298 3.799 190 HG13 ILE 24 HG13 ILE 24 -11.922 -6.432 4.526 191 HG21 ILE 24 HG21 ILE 24 -9.498 -6.310 4.050 192 HG22 ILE 24 HG22 ILE 24 -9.391 -4.636 4.589 193 HG23 ILE 24 HG23 ILE 24 -8.851 -5.077 2.972 194 HD11 ILE 24 HD11 ILE 24 -12.250 -3.528 5.268 195 HD12 ILE 24 HD12 ILE 24 -11.094 -4.646 5.990 196 HD13 ILE 24 HD13 ILE 24 -12.827 -4.918 6.187 197 H LYS 25 H LYS 25 -9.413 -1.780 2.898 198 HA LYS 25 HA LYS 25 -8.655 -2.100 0.094 199 HB2 LYS 25 HB2 LYS 25 -7.947 0.106 2.016 200 HB3 LYS 25 HB3 LYS 25 -7.521 0.025 0.319 201 HG2 LYS 25 HG2 LYS 25 -10.300 0.237 1.438 202 HG3 LYS 25 HG3 LYS 25 -9.367 1.535 0.693 203 HD2 LYS 25 HD2 LYS 25 -9.295 0.178 -1.399 204 HD3 LYS 25 HD3 LYS 25 -10.373 -0.983 -0.614 205 HE2 LYS 25 HE2 LYS 25 -11.664 0.497 -1.973 206 HE3 LYS 25 HE3 LYS 25 -11.998 0.801 -0.261 207 HZ1 LYS 25 HZ1 LYS 25 -11.765 2.887 -1.434 208 HZ2 LYS 25 HZ2 LYS 25 -10.301 2.421 -2.066 209 HZ3 LYS 25 HZ3 LYS 25 -10.419 2.735 -0.420 210 H THR 26 H THR 26 -6.768 -2.845 -0.479 211 HA THR 26 HA THR 26 -4.684 -3.158 1.594 212 HB THR 26 HB THR 26 -3.781 -4.953 0.181 213 HG1 THR 26 HG1 THR 26 -5.174 -3.919 -1.674 214 HG21 THR 26 HG21 THR 26 -5.501 -6.642 0.589 215 HG22 THR 26 HG22 THR 26 -6.696 -5.365 0.850 216 HG23 THR 26 HG23 THR 26 -5.336 -5.550 1.961 217 H TYR 27 H TYR 27 -2.989 -1.995 1.323 218 HA TYR 27 HA TYR 27 -2.523 -0.836 -1.317 219 HD1 TYR 27 HD1 TYR 27 -4.728 0.627 1.495 220 HD2 TYR 27 HD2 TYR 27 -2.522 2.089 -1.811 221 HE1 TYR 27 HE1 TYR 27 -6.698 1.909 0.760 222 HE2 TYR 27 HE2 TYR 27 -4.433 3.348 -2.582 223 HH TYR 27 HH TYR 27 -7.350 3.679 -0.606 224 HB2 TYR 27 HB2 TYR 27 -2.301 0.436 1.380 225 HB3 TYR 27 HB3 TYR 27 -1.412 1.046 -0.013 226 H THR 28 H THR 28 -0.654 -1.057 -2.135 227 HA THR 28 HA THR 28 1.266 -2.400 -0.398 228 HB THR 28 HB THR 28 2.154 -3.577 -2.411 229 HG1 THR 28 HG1 THR 28 1.009 -1.782 -3.788 230 HG21 THR 28 HG21 THR 28 0.281 -5.117 -2.726 231 HG22 THR 28 HG22 THR 28 -0.825 -3.930 -2.035 232 HG23 THR 28 HG23 THR 28 0.420 -4.664 -1.032 233 H ILE 29 H ILE 29 3.026 -1.383 -0.029 234 HA ILE 29 HA ILE 29 3.996 0.590 -1.965 235 HB ILE 29 HB ILE 29 4.275 0.473 1.045 236 HG12 ILE 29 HG12 ILE 29 3.012 2.544 -0.747 237 HG13 ILE 29 HG13 ILE 29 2.132 1.306 0.145 238 HG21 ILE 29 HG21 ILE 29 5.554 2.456 -0.857 239 HG22 ILE 29 HG22 ILE 29 6.396 1.222 0.081 240 HG23 ILE 29 HG23 ILE 29 5.583 2.541 0.909 241 HD11 ILE 29 HD11 ILE 29 2.090 3.498 1.233 242 HD12 ILE 29 HD12 ILE 29 3.867 3.400 1.410 243 HD13 ILE 29 HD13 ILE 29 2.822 2.212 2.181 244 H THR 30 H THR 30 5.854 0.058 -2.895 245 HA THR 30 HA THR 30 7.497 -1.903 -1.515 246 HB THR 30 HB THR 30 6.472 -2.885 -3.531 247 HG1 THR 30 HG1 THR 30 8.206 -3.883 -4.072 248 HG21 THR 30 HG21 THR 30 7.902 -0.693 -4.987 249 HG22 THR 30 HG22 THR 30 6.157 -0.900 -4.886 250 HG23 THR 30 HG23 THR 30 7.141 -2.068 -5.792 251 H GLU 31 H GLU 31 9.275 -1.134 -0.853 252 HA GLU 31 HA GLU 31 10.591 1.043 -2.284 253 HB2 GLU 31 HB2 GLU 31 9.256 2.138 -0.580 254 HB3 GLU 31 HB3 GLU 31 9.924 1.091 0.660 255 HG2 GLU 31 HG2 GLU 31 10.892 3.369 0.653 256 HG3 GLU 31 HG3 GLU 31 12.087 2.096 0.429 257 H GLY 32 H GLY 32 12.601 0.583 -2.608 258 HA2 GLY 32 HA2 GLY 32 14.746 -0.166 -2.265 259 HA3 GLY 32 HA3 GLY 32 14.316 -0.448 -0.583 260 H SER 33 H SER 33 13.343 -2.369 -0.021 261 HA SER 33 HA SER 33 13.116 -4.425 -2.014 262 HG SER 33 HG SER 33 15.330 -3.859 -2.210 263 HB2 SER 33 HB2 SER 33 15.036 -4.788 0.305 264 HB3 SER 33 HB3 SER 33 14.605 -5.998 -0.905 265 H LEU 34 H LEU 34 11.605 -2.899 0.383 266 HA LEU 34 HA LEU 34 10.535 -5.406 1.411 267 HG LEU 34 HG LEU 34 9.614 -2.004 2.741 268 HB2 LEU 34 HB2 LEU 34 9.801 -4.321 3.503 269 HB3 LEU 34 HB3 LEU 34 11.540 -4.208 3.329 270 HD11 LEU 34 HD11 LEU 34 10.259 -1.164 5.016 271 HD12 LEU 34 HD12 LEU 34 11.175 -2.648 5.268 272 HD13 LEU 34 HD13 LEU 34 9.423 -2.716 5.096 273 HD21 LEU 34 HD21 LEU 34 11.856 -1.761 1.762 274 HD22 LEU 34 HD22 LEU 34 12.574 -1.967 3.363 275 HD23 LEU 34 HD23 LEU 34 11.555 -0.567 3.013 276 H ARG 35 H ARG 35 8.507 -5.750 1.492 277 HA ARG 35 HA ARG 35 6.762 -3.901 -0.036 278 HE ARG 35 HE ARG 35 8.349 -7.558 -2.914 279 HB2 ARG 35 HB2 ARG 35 6.111 -6.755 0.773 280 HB3 ARG 35 HB3 ARG 35 5.114 -5.718 -0.212 281 HG2 ARG 35 HG2 ARG 35 6.069 -7.230 -1.699 282 HG3 ARG 35 HG3 ARG 35 7.050 -5.780 -1.886 283 HD2 ARG 35 HD2 ARG 35 8.766 -6.726 -0.469 284 HD3 ARG 35 HD3 ARG 35 7.760 -8.145 -0.159 285 HH11 ARG 35 HH11 ARG 35 9.124 -9.615 -0.089 286 HH12 ARG 35 HH12 ARG 35 10.064 -10.683 -1.015 287 HH21 ARG 35 HH21 ARG 35 9.536 -9.073 -4.100 288 HH22 ARG 35 HH22 ARG 35 10.335 -10.378 -3.370 289 H ALA 36 H ALA 36 5.545 -2.606 1.151 290 HA ALA 36 HA ALA 36 4.689 -3.553 3.793 291 HB1 ALA 36 HB1 ALA 36 4.361 -1.190 4.351 292 HB2 ALA 36 HB2 ALA 36 4.862 -0.733 2.724 293 HB3 ALA 36 HB3 ALA 36 6.015 -1.488 3.822 294 H VAL 37 H VAL 37 2.684 -4.278 3.847 295 HA VAL 37 HA VAL 37 0.752 -3.190 1.932 296 HB VAL 37 HB VAL 37 0.613 -5.835 3.414 297 HG11 VAL 37 HG11 VAL 37 -1.302 -6.308 1.948 298 HG12 VAL 37 HG12 VAL 37 -1.177 -4.689 1.261 299 HG13 VAL 37 HG13 VAL 37 -1.599 -4.896 2.961 300 HG21 VAL 37 HG21 VAL 37 0.932 -6.826 1.188 301 HG22 VAL 37 HG22 VAL 37 2.333 -5.863 1.704 302 HG23 VAL 37 HG23 VAL 37 1.160 -5.195 0.557 303 H ILE 38 H ILE 38 -0.656 -1.935 2.689 304 HA ILE 38 HA ILE 38 -1.237 -1.825 5.550 305 HB ILE 38 HB ILE 38 -1.637 0.112 3.268 306 HG12 ILE 38 HG12 ILE 38 0.009 0.338 5.773 307 HG13 ILE 38 HG13 ILE 38 0.630 -0.138 4.196 308 HG21 ILE 38 HG21 ILE 38 -3.549 0.298 4.795 309 HG22 ILE 38 HG22 ILE 38 -2.507 1.710 4.822 310 HG23 ILE 38 HG23 ILE 38 -2.436 0.546 6.153 311 HD11 ILE 38 HD11 ILE 38 -0.768 2.471 4.660 312 HD12 ILE 38 HD12 ILE 38 0.181 1.905 3.283 313 HD13 ILE 38 HD13 ILE 38 0.974 2.264 4.851 314 H PHE 39 H PHE 39 -3.118 -2.643 6.235 315 HA PHE 39 HA PHE 39 -5.213 -3.222 4.262 316 HD1 PHE 39 HD1 PHE 39 -5.462 -6.192 3.937 317 HD2 PHE 39 HD2 PHE 39 -2.563 -5.187 6.875 318 HE1 PHE 39 HE1 PHE 39 -3.989 -7.968 3.089 319 HE2 PHE 39 HE2 PHE 39 -1.088 -6.952 6.044 320 HZ PHE 39 HZ PHE 39 -1.795 -8.355 4.142 321 HB2 PHE 39 HB2 PHE 39 -4.784 -4.372 7.030 322 HB3 PHE 39 HB3 PHE 39 -6.037 -4.845 5.899 323 H ILE 40 H ILE 40 -6.702 -1.797 4.281 324 HA ILE 40 HA ILE 40 -7.198 -0.220 6.677 325 HB ILE 40 HB ILE 40 -8.582 -0.101 4.001 326 HG12 ILE 40 HG12 ILE 40 -6.249 0.459 3.534 327 HG13 ILE 40 HG13 ILE 40 -7.203 1.939 3.633 328 HG21 ILE 40 HG21 ILE 40 -9.915 0.874 5.716 329 HG22 ILE 40 HG22 ILE 40 -9.248 2.183 4.736 330 HG23 ILE 40 HG23 ILE 40 -8.558 1.810 6.316 331 HD11 ILE 40 HD11 ILE 40 -6.330 2.542 5.623 332 HD12 ILE 40 HD12 ILE 40 -4.989 2.057 4.618 333 HD13 ILE 40 HD13 ILE 40 -5.540 0.973 5.906 334 H THR 41 H THR 41 -8.539 -1.061 8.107 335 HA THR 41 HA THR 41 -10.799 -2.554 7.067 336 HB THR 41 HB THR 41 -9.222 -4.223 7.847 337 HG1 THR 41 HG1 THR 41 -10.755 -5.293 8.676 338 HG21 THR 41 HG21 THR 41 -7.914 -2.859 9.408 339 HG22 THR 41 HG22 THR 41 -8.470 -4.338 10.189 340 HG23 THR 41 HG23 THR 41 -9.283 -2.807 10.518 341 H LYS 42 H LYS 42 -12.585 -2.643 8.477 342 HA LYS 42 HA LYS 42 -13.289 -0.110 9.556 343 HB2 LYS 42 HB2 LYS 42 -15.440 -1.046 10.029 344 HB3 LYS 42 HB3 LYS 42 -14.901 -1.769 8.529 345 HG2 LYS 42 HG2 LYS 42 -14.768 -3.100 11.238 346 HG3 LYS 42 HG3 LYS 42 -16.008 -3.381 10.023 347 HD2 LYS 42 HD2 LYS 42 -14.377 -4.344 8.523 348 HD3 LYS 42 HD3 LYS 42 -13.068 -3.872 9.598 349 HE2 LYS 42 HE2 LYS 42 -13.541 -6.214 9.824 350 HE3 LYS 42 HE3 LYS 42 -13.878 -5.323 11.304 351 HZ1 LYS 42 HZ1 LYS 42 -15.956 -6.207 9.340 352 HZ2 LYS 42 HZ2 LYS 42 -16.251 -5.388 10.785 353 HZ3 LYS 42 HZ3 LYS 42 -15.633 -6.949 10.817 354 H ARG 43 H ARG 43 -11.640 -2.736 10.889 355 HA ARG 43 HA ARG 43 -12.452 -2.243 13.637 356 HE ARG 43 HE ARG 43 -9.746 -5.134 16.705 357 HB2 ARG 43 HB2 ARG 43 -12.000 -4.567 12.912 358 HB3 ARG 43 HB3 ARG 43 -10.342 -4.121 12.536 359 HG2 ARG 43 HG2 ARG 43 -9.939 -3.600 14.893 360 HG3 ARG 43 HG3 ARG 43 -11.604 -4.039 15.265 361 HD2 ARG 43 HD2 ARG 43 -11.189 -6.302 14.568 362 HD3 ARG 43 HD3 ARG 43 -9.526 -5.898 14.117 363 HH11 ARG 43 HH11 ARG 43 -10.330 -8.219 15.059 364 HH12 ARG 43 HH12 ARG 43 -9.876 -9.167 16.406 365 HH21 ARG 43 HH21 ARG 43 -9.117 -6.453 18.531 366 HH22 ARG 43 HH22 ARG 43 -9.180 -8.134 18.432 367 H GLY 44 H GLY 44 -10.034 -1.289 11.423 368 HA2 GLY 44 HA2 GLY 44 -9.089 0.883 12.588 369 HA3 GLY 44 HA3 GLY 44 -8.274 -0.332 13.546 370 H LEU 45 H LEU 45 -6.288 -0.131 12.977 371 HA LEU 45 HA LEU 45 -5.563 -0.133 10.112 372 HG LEU 45 HG LEU 45 -2.815 2.467 10.761 373 HB2 LEU 45 HB2 LEU 45 -5.029 1.990 11.217 374 HB3 LEU 45 HB3 LEU 45 -4.177 1.164 12.484 375 HD11 LEU 45 HD11 LEU 45 -2.043 -0.414 11.283 376 HD12 LEU 45 HD12 LEU 45 -1.615 1.026 12.246 377 HD13 LEU 45 HD13 LEU 45 -0.968 0.834 10.657 378 HD21 LEU 45 HD21 LEU 45 -3.964 1.751 8.756 379 HD22 LEU 45 HD22 LEU 45 -3.502 0.082 9.048 380 HD23 LEU 45 HD23 LEU 45 -2.262 1.287 8.666 381 H LYS 46 H LYS 46 -4.426 -1.762 9.344 382 HA LYS 46 HA LYS 46 -2.815 -3.414 11.146 383 HB2 LYS 46 HB2 LYS 46 -5.027 -4.512 10.730 384 HB3 LYS 46 HB3 LYS 46 -4.717 -4.438 9.010 385 HG2 LYS 46 HG2 LYS 46 -4.182 -6.671 9.606 386 HG3 LYS 46 HG3 LYS 46 -2.627 -5.832 9.533 387 HD2 LYS 46 HD2 LYS 46 -2.537 -5.641 11.895 388 HD3 LYS 46 HD3 LYS 46 -4.171 -6.297 12.057 389 HE2 LYS 46 HE2 LYS 46 -3.380 -8.399 11.005 390 HE3 LYS 46 HE3 LYS 46 -1.746 -7.745 10.987 391 HZ1 LYS 46 HZ1 LYS 46 -3.379 -8.243 13.420 392 HZ2 LYS 46 HZ2 LYS 46 -1.765 -7.714 13.420 393 HZ3 LYS 46 HZ3 LYS 46 -2.159 -9.235 12.863 394 H VAL 47 H VAL 47 -0.835 -3.661 10.244 395 HA VAL 47 HA VAL 47 -0.575 -3.357 7.340 396 HB VAL 47 HB VAL 47 0.069 -1.219 8.374 397 HG11 VAL 47 HG11 VAL 47 2.116 -1.100 9.748 398 HG12 VAL 47 HG12 VAL 47 2.079 -2.854 9.880 399 HG13 VAL 47 HG13 VAL 47 0.741 -1.889 10.533 400 HG21 VAL 47 HG21 VAL 47 1.222 -1.868 6.326 401 HG22 VAL 47 HG22 VAL 47 2.442 -2.723 7.266 402 HG23 VAL 47 HG23 VAL 47 2.316 -0.969 7.380 403 H CYS 48 H CYS 48 0.863 -4.701 6.387 404 HA CYS 48 HA CYS 48 2.560 -6.337 8.127 405 HB2 CYS 48 HB2 CYS 48 0.902 -7.290 5.798 406 HB3 CYS 48 HB3 CYS 48 2.291 -8.183 6.385 407 H ALA 49 H ALA 49 4.595 -6.662 7.495 408 HA ALA 49 HA ALA 49 5.325 -5.411 4.948 409 HB1 ALA 49 HB1 ALA 49 6.814 -5.279 7.558 410 HB2 ALA 49 HB2 ALA 49 5.911 -3.972 6.788 411 HB3 ALA 49 HB3 ALA 49 7.370 -4.605 6.018 412 H ASP 50 H ASP 50 6.319 -6.683 3.678 413 HA ASP 50 HA ASP 50 7.652 -9.091 4.721 414 HB2 ASP 50 HB2 ASP 50 5.734 -9.726 3.375 415 HB3 ASP 50 HB3 ASP 50 6.257 -8.673 2.067 416 HA PRO 51 HA PRO 51 10.921 -6.821 2.733 417 HB2 PRO 51 HB2 PRO 51 12.833 -7.318 4.489 418 HB3 PRO 51 HB3 PRO 51 11.504 -6.215 4.865 419 HG2 PRO 51 HG2 PRO 51 11.978 -8.986 5.822 420 HG3 PRO 51 HG3 PRO 51 11.157 -7.644 6.631 421 HD2 PRO 51 HD2 PRO 51 9.954 -9.795 5.204 422 HD3 PRO 51 HD3 PRO 51 9.157 -8.365 5.888 423 H GLN 52 H GLN 52 12.082 -7.474 1.117 424 HA GLN 52 HA GLN 52 13.433 -8.507 -0.272 425 HB2 GLN 52 HB2 GLN 52 14.707 -9.527 2.247 426 HB3 GLN 52 HB3 GLN 52 15.482 -9.384 0.669 427 HG2 GLN 52 HG2 GLN 52 15.132 -6.983 0.709 428 HG3 GLN 52 HG3 GLN 52 14.350 -7.107 2.271 429 HE21 GLN 52 HE21 GLN 52 17.350 -7.257 0.557 430 HE22 GLN 52 HE22 GLN 52 18.395 -7.194 1.925 431 H ALA 53 H ALA 53 13.651 -11.128 2.071 432 HA ALA 53 HA ALA 53 13.283 -13.286 2.029 433 HB1 ALA 53 HB1 ALA 53 10.963 -12.760 1.415 434 HB2 ALA 53 HB2 ALA 53 11.505 -14.288 0.720 435 HB3 ALA 53 HB3 ALA 53 11.408 -12.843 -0.289 436 H THR 54 H THR 54 13.126 -12.672 -1.461 437 HA THR 54 HA THR 54 15.694 -14.067 -1.714 438 HB THR 54 HB THR 54 13.401 -14.714 -3.595 439 HG1 THR 54 HG1 THR 54 14.226 -16.188 -1.283 440 HG21 THR 54 HG21 THR 54 15.964 -16.167 -2.896 441 HG22 THR 54 HG22 THR 54 15.692 -15.209 -4.352 442 HG23 THR 54 HG23 THR 54 14.772 -16.691 -4.080 443 H TRP 55 H TRP 55 13.168 -12.906 -3.969 444 HA TRP 55 HA TRP 55 15.041 -10.902 -4.958 445 HD1 TRP 55 HD1 TRP 55 14.232 -14.849 -6.301 446 HE1 TRP 55 HE1 TRP 55 16.441 -15.757 -7.213 447 HE3 TRP 55 HE3 TRP 55 16.366 -10.438 -7.745 448 HZ2 TRP 55 HZ2 TRP 55 18.800 -14.741 -8.407 449 HZ3 TRP 55 HZ3 TRP 55 18.599 -10.494 -8.769 450 HH2 TRP 55 HH2 TRP 55 19.792 -12.598 -9.090 451 HB2 TRP 55 HB2 TRP 55 13.015 -12.524 -6.533 452 HB3 TRP 55 HB3 TRP 55 13.928 -11.169 -7.177 453 H VAL 56 H VAL 56 14.044 -8.948 -5.541 454 HA VAL 56 HA VAL 56 11.257 -8.704 -4.763 455 HB VAL 56 HB VAL 56 12.548 -7.870 -2.867 456 HG11 VAL 56 HG11 VAL 56 13.871 -5.980 -4.803 457 HG12 VAL 56 HG12 VAL 56 14.634 -7.319 -3.953 458 HG13 VAL 56 HG13 VAL 56 14.043 -5.929 -3.048 459 HG21 VAL 56 HG21 VAL 56 11.305 -5.617 -4.446 460 HG22 VAL 56 HG22 VAL 56 11.623 -5.588 -2.709 461 HG23 VAL 56 HG23 VAL 56 10.458 -6.731 -3.373 462 H ARG 57 H ARG 57 10.093 -7.943 -6.341 463 HA ARG 57 HA ARG 57 11.386 -6.443 -8.478 464 HE ARG 57 HE ARG 57 11.639 -5.670 -10.195 465 HB2 ARG 57 HB2 ARG 57 9.827 -8.393 -8.975 466 HB3 ARG 57 HB3 ARG 57 8.527 -7.429 -8.293 467 HG2 ARG 57 HG2 ARG 57 8.313 -7.164 -10.612 468 HG3 ARG 57 HG3 ARG 57 9.101 -5.688 -10.067 469 HD2 ARG 57 HD2 ARG 57 10.461 -8.081 -11.312 470 HD3 ARG 57 HD3 ARG 57 10.129 -6.559 -12.123 471 HH11 ARG 57 HH11 ARG 57 12.072 -8.610 -12.138 472 HH12 ARG 57 HH12 ARG 57 13.761 -8.669 -11.941 473 HH21 ARG 57 HH21 ARG 57 13.972 -5.762 -9.925 474 HH22 ARG 57 HH22 ARG 57 14.868 -7.023 -10.631 475 H ASP 58 H ASP 58 11.643 -4.427 -7.432 476 HA ASP 58 HA ASP 58 9.282 -3.350 -6.191 477 HB2 ASP 58 HB2 ASP 58 10.643 -1.515 -5.325 478 HB3 ASP 58 HB3 ASP 58 11.409 -3.043 -4.968 479 H VAL 59 H VAL 59 7.889 -2.875 -7.561 480 HA VAL 59 HA VAL 59 8.468 -1.575 -10.052 481 HB VAL 59 HB VAL 59 5.805 -2.239 -8.770 482 HG11 VAL 59 HG11 VAL 59 4.850 -1.963 -10.996 483 HG12 VAL 59 HG12 VAL 59 6.417 -1.461 -11.619 484 HG13 VAL 59 HG13 VAL 59 5.581 -0.461 -10.431 485 HG21 VAL 59 HG21 VAL 59 7.121 -4.226 -9.202 486 HG22 VAL 59 HG22 VAL 59 7.411 -3.697 -10.860 487 HG23 VAL 59 HG23 VAL 59 5.780 -4.122 -10.345 488 H VAL 60 H VAL 60 8.990 0.511 -10.027 489 HA VAL 60 HA VAL 60 7.584 2.296 -8.197 490 HB VAL 60 HB VAL 60 9.317 3.924 -8.668 491 HG11 VAL 60 HG11 VAL 60 9.707 2.368 -6.854 492 HG12 VAL 60 HG12 VAL 60 11.229 2.781 -7.637 493 HG13 VAL 60 HG13 VAL 60 10.463 1.225 -7.966 494 HG21 VAL 60 HG21 VAL 60 9.824 3.378 -10.987 495 HG22 VAL 60 HG22 VAL 60 10.519 1.839 -10.493 496 HG23 VAL 60 HG23 VAL 60 11.303 3.348 -10.028 497 HA VAL 1 HA VAL 1 -16.552 -3.840 22.889 498 HB VAL 1 HB VAL 1 -17.645 -3.197 24.981 499 H1 VAL 1 H1 VAL 1 -15.025 -5.681 24.533 500 HG11 VAL 1 HG11 VAL 1 -18.684 -5.344 25.556 501 HG12 VAL 1 HG12 VAL 1 -17.407 -6.177 24.674 502 HG13 VAL 1 HG13 VAL 1 -18.522 -5.122 23.812 503 HG21 VAL 1 HG21 VAL 1 -17.102 -4.330 27.105 504 HG22 VAL 1 HG22 VAL 1 -15.765 -3.349 26.510 505 HG23 VAL 1 HG23 VAL 1 -15.718 -5.101 26.326 506 H GLY 2 H GLY 2 -13.560 -3.924 23.720 507 HA2 GLY 2 HA2 GLY 2 -13.168 -1.427 25.106 508 HA3 GLY 2 HA3 GLY 2 -11.903 -2.455 24.457 509 H SER 3 H SER 3 -14.547 -0.422 23.292 510 HA SER 3 HA SER 3 -12.967 0.382 21.027 511 HG SER 3 HG SER 3 -15.885 1.655 22.696 512 HB2 SER 3 HB2 SER 3 -15.093 1.675 20.482 513 HB3 SER 3 HB3 SER 3 -15.241 -0.081 20.528 514 H GLU 4 H GLU 4 -11.554 1.952 21.275 515 HA GLU 4 HA GLU 4 -12.279 4.185 22.984 516 HB2 GLU 4 HB2 GLU 4 -9.843 4.389 23.573 517 HB3 GLU 4 HB3 GLU 4 -10.687 3.010 24.260 518 HG2 GLU 4 HG2 GLU 4 -9.701 1.564 22.549 519 HG3 GLU 4 HG3 GLU 4 -8.857 2.951 21.867 520 H VAL 5 H VAL 5 -12.868 5.592 21.498 521 HA VAL 5 HA VAL 5 -11.028 6.114 19.320 522 HB VAL 5 HB VAL 5 -12.837 7.540 18.337 523 HG11 VAL 5 HG11 VAL 5 -14.322 5.702 17.689 524 HG12 VAL 5 HG12 VAL 5 -13.678 4.725 19.004 525 HG13 VAL 5 HG13 VAL 5 -12.629 5.212 17.672 526 HG21 VAL 5 HG21 VAL 5 -15.119 7.420 19.239 527 HG22 VAL 5 HG22 VAL 5 -14.021 8.152 20.416 528 HG23 VAL 5 HG23 VAL 5 -14.532 6.479 20.608 529 H SER 6 H SER 6 -9.558 7.593 19.559 530 HA SER 6 HA SER 6 -10.172 10.070 20.898 531 HG SER 6 HG SER 6 -10.440 8.657 22.694 532 HB2 SER 6 HB2 SER 6 -7.910 8.250 21.801 533 HB3 SER 6 HB3 SER 6 -8.173 9.905 22.359 534 H ASP 7 H ASP 7 -7.927 11.406 20.771 535 HA ASP 7 HA ASP 7 -7.312 11.511 17.946 536 HB2 ASP 7 HB2 ASP 7 -6.290 13.203 20.247 537 HB3 ASP 7 HB3 ASP 7 -5.982 13.523 18.548 538 H LYS 8 H LYS 8 -6.270 9.475 20.043 539 HA LYS 8 HA LYS 8 -3.457 9.710 20.056 540 HB2 LYS 8 HB2 LYS 8 -3.483 7.344 20.864 541 HB3 LYS 8 HB3 LYS 8 -4.467 8.446 21.816 542 HG2 LYS 8 HG2 LYS 8 -6.478 7.632 20.643 543 HG3 LYS 8 HG3 LYS 8 -5.467 6.525 19.731 544 HD2 LYS 8 HD2 LYS 8 -5.692 6.510 22.735 545 HD3 LYS 8 HD3 LYS 8 -6.636 5.472 21.670 546 HE2 LYS 8 HE2 LYS 8 -4.564 4.488 20.811 547 HE3 LYS 8 HE3 LYS 8 -3.625 5.524 21.883 548 HZ1 LYS 8 HZ1 LYS 8 -4.652 4.458 23.768 549 HZ2 LYS 8 HZ2 LYS 8 -3.928 3.293 22.788 550 HZ3 LYS 8 HZ3 LYS 8 -5.608 3.497 22.786 551 H ARG 9 H ARG 9 -2.226 9.537 18.440 552 HA ARG 9 HA ARG 9 -2.925 7.898 16.121 553 HE ARG 9 HE ARG 9 -4.072 12.608 16.098 554 HB2 ARG 9 HB2 ARG 9 -0.830 10.053 16.526 555 HB3 ARG 9 HB3 ARG 9 -1.237 9.275 14.984 556 HG2 ARG 9 HG2 ARG 9 -3.341 10.042 14.992 557 HG3 ARG 9 HG3 ARG 9 -3.303 10.637 16.655 558 HD2 ARG 9 HD2 ARG 9 -1.499 12.260 15.719 559 HD3 ARG 9 HD3 ARG 9 -2.131 11.789 14.130 560 HH11 ARG 9 HH11 ARG 9 -2.346 13.500 13.155 561 HH12 ARG 9 HH12 ARG 9 -3.169 14.963 12.920 562 HH21 ARG 9 HH21 ARG 9 -5.271 14.622 15.754 563 HH22 ARG 9 HH22 ARG 9 -4.873 15.627 14.454 564 H THR 10 H THR 10 -2.280 5.913 16.329 565 HA THR 10 HA THR 10 -0.128 5.284 18.099 566 HB THR 10 HB THR 10 -0.937 2.948 17.566 567 HG1 THR 10 HG1 THR 10 -2.026 3.698 15.582 568 HG21 THR 10 HG21 THR 10 -2.928 3.198 18.998 569 HG22 THR 10 HG22 THR 10 -2.897 4.940 18.727 570 HG23 THR 10 HG23 THR 10 -1.583 4.165 19.607 571 H CYS 11 H CYS 11 1.738 4.215 17.540 572 HA CYS 11 HA CYS 11 2.211 3.610 14.720 573 HB2 CYS 11 HB2 CYS 11 4.103 5.167 16.520 574 HB3 CYS 11 HB3 CYS 11 4.445 4.644 14.883 575 H VAL 12 H VAL 12 3.722 1.969 14.535 576 HA VAL 12 HA VAL 12 5.009 0.924 16.975 577 HB VAL 12 HB VAL 12 3.425 -0.914 15.120 578 HG11 VAL 12 HG11 VAL 12 5.001 -1.611 17.604 579 HG12 VAL 12 HG12 VAL 12 5.438 -2.025 15.949 580 HG13 VAL 12 HG13 VAL 12 3.992 -2.723 16.679 581 HG21 VAL 12 HG21 VAL 12 1.999 -1.370 17.051 582 HG22 VAL 12 HG22 VAL 12 1.985 0.341 16.631 583 HG23 VAL 12 HG23 VAL 12 2.924 -0.223 18.019 584 H SER 13 H SER 13 6.988 -0.173 16.664 585 HA SER 13 HA SER 13 8.084 -0.022 13.968 586 HG SER 13 HG SER 13 10.302 0.052 17.341 587 HB2 SER 13 HB2 SER 13 10.287 -0.091 15.218 588 HB3 SER 13 HB3 SER 13 9.303 1.347 15.490 589 H LEU 14 H LEU 14 8.839 -1.806 13.004 590 HA LEU 14 HA LEU 14 8.668 -4.366 14.450 591 HG LEU 14 HG LEU 14 6.293 -3.185 12.872 592 HB2 LEU 14 HB2 LEU 14 8.291 -3.732 11.547 593 HB3 LEU 14 HB3 LEU 14 8.284 -5.340 12.210 594 HD11 LEU 14 HD11 LEU 14 4.775 -4.609 11.491 595 HD12 LEU 14 HD12 LEU 14 6.161 -5.619 11.119 596 HD13 LEU 14 HD13 LEU 14 6.154 -3.964 10.581 597 HD21 LEU 14 HD21 LEU 14 5.075 -5.051 13.938 598 HD22 LEU 14 HD22 LEU 14 6.624 -4.727 14.718 599 HD23 LEU 14 HD23 LEU 14 6.453 -6.106 13.633 600 H THR 15 H THR 15 10.485 -5.491 14.592 601 HA THR 15 HA THR 15 12.716 -4.657 12.939 602 HB THR 15 HB THR 15 14.116 -5.966 14.527 603 HG1 THR 15 HG1 THR 15 12.254 -7.364 15.088 604 HG21 THR 15 HG21 THR 15 12.266 -3.976 15.862 605 HG22 THR 15 HG22 THR 15 13.728 -3.583 14.958 606 HG23 THR 15 HG23 THR 15 13.842 -4.476 16.474 607 H THR 16 H THR 16 13.197 -5.883 11.267 608 HA THR 16 HA THR 16 12.868 -8.743 11.383 609 HB THR 16 HB THR 16 10.654 -8.033 10.603 610 HG1 THR 16 HG1 THR 16 10.598 -9.324 8.709 611 HG21 THR 16 HG21 THR 16 10.374 -6.838 8.456 612 HG22 THR 16 HG22 THR 16 12.128 -6.675 8.330 613 HG23 THR 16 HG23 THR 16 11.260 -5.861 9.626 614 H GLN 17 H GLN 17 13.373 -9.476 8.882 615 HA GLN 17 HA GLN 17 16.146 -8.865 8.530 616 HB2 GLN 17 HB2 GLN 17 15.284 -11.126 8.143 617 HB3 GLN 17 HB3 GLN 17 14.236 -10.532 6.870 618 HG2 GLN 17 HG2 GLN 17 16.155 -11.704 5.958 619 HG3 GLN 17 HG3 GLN 17 16.188 -10.001 5.514 620 HE21 GLN 17 HE21 GLN 17 17.796 -8.693 6.327 621 HE22 GLN 17 HE22 GLN 17 19.184 -9.327 7.124 622 H ARG 18 H ARG 18 16.172 -6.668 8.067 623 HA ARG 18 HA ARG 18 15.411 -6.093 5.365 624 HE ARG 18 HE ARG 18 15.955 -5.493 9.546 625 HB2 ARG 18 HB2 ARG 18 14.847 -3.704 6.012 626 HB3 ARG 18 HB3 ARG 18 13.676 -4.950 6.342 627 HG2 ARG 18 HG2 ARG 18 13.859 -3.188 8.081 628 HG3 ARG 18 HG3 ARG 18 14.092 -4.815 8.694 629 HD2 ARG 18 HD2 ARG 18 16.506 -3.292 7.913 630 HD3 ARG 18 HD3 ARG 18 15.674 -2.745 9.378 631 HH11 ARG 18 HH11 ARG 18 18.118 -2.675 9.542 632 HH12 ARG 18 HH12 ARG 18 19.314 -3.449 10.482 633 HH21 ARG 18 HH21 ARG 18 17.611 -6.498 10.832 634 HH22 ARG 18 HH22 ARG 18 19.033 -5.638 11.222 635 H LEU 19 H LEU 19 16.431 -4.624 4.219 636 HA LEU 19 HA LEU 19 19.226 -4.514 4.762 637 HG LEU 19 HG LEU 19 17.570 -1.942 2.448 638 HB2 LEU 19 HB2 LEU 19 19.448 -3.520 2.578 639 HB3 LEU 19 HB3 LEU 19 18.347 -4.869 2.470 640 HD11 LEU 19 HD11 LEU 19 18.716 -2.608 0.440 641 HD12 LEU 19 HD12 LEU 19 17.008 -2.317 0.110 642 HD13 LEU 19 HD13 LEU 19 17.615 -3.968 0.237 643 HD21 LEU 19 HD21 LEU 19 15.333 -2.764 1.729 644 HD22 LEU 19 HD22 LEU 19 15.735 -3.212 3.387 645 HD23 LEU 19 HD23 LEU 19 15.856 -4.407 2.090 646 HA PRO 20 HA PRO 20 19.040 -0.571 6.797 647 HB2 PRO 20 HB2 PRO 20 21.677 0.082 6.564 648 HB3 PRO 20 HB3 PRO 20 21.062 -1.050 7.779 649 HG2 PRO 20 HG2 PRO 20 22.381 -1.593 5.158 650 HG3 PRO 20 HG3 PRO 20 22.584 -2.431 6.703 651 HD2 PRO 20 HD2 PRO 20 21.051 -3.382 4.685 652 HD3 PRO 20 HD3 PRO 20 20.684 -3.701 6.403 653 H VAL 21 H VAL 21 18.630 1.381 6.090 654 HA VAL 21 HA VAL 21 19.741 2.314 3.567 655 HB VAL 21 HB VAL 21 17.431 1.500 3.162 656 HG11 VAL 21 HG11 VAL 21 16.556 3.555 5.166 657 HG12 VAL 21 HG12 VAL 21 16.441 1.805 5.325 658 HG13 VAL 21 HG13 VAL 21 15.484 2.645 4.102 659 HG21 VAL 21 HG21 VAL 21 16.518 3.511 2.076 660 HG22 VAL 21 HG22 VAL 21 18.246 3.323 1.782 661 HG23 VAL 21 HG23 VAL 21 17.671 4.500 2.966 662 H SER 22 H SER 22 20.450 4.380 3.630 663 HA SER 22 HA SER 22 20.535 5.615 6.226 664 HG SER 22 HG SER 22 22.833 4.663 4.045 665 HB2 SER 22 HB2 SER 22 21.812 6.437 3.622 666 HB3 SER 22 HB3 SER 22 22.207 7.078 5.221 667 H ARG 23 H ARG 23 18.587 5.904 3.500 668 HA ARG 23 HA ARG 23 17.745 8.621 4.243 669 HE ARG 23 HE ARG 23 17.092 10.597 1.411 670 HB2 ARG 23 HB2 ARG 23 17.192 7.027 1.731 671 HB3 ARG 23 HB3 ARG 23 16.542 8.623 2.065 672 HG2 ARG 23 HG2 ARG 23 19.461 7.946 1.758 673 HG3 ARG 23 HG3 ARG 23 18.445 8.704 0.531 674 HD2 ARG 23 HD2 ARG 23 19.136 9.857 3.243 675 HD3 ARG 23 HD3 ARG 23 19.793 10.363 1.692 676 HH11 ARG 23 HH11 ARG 23 19.521 12.017 3.566 677 HH12 ARG 23 HH12 ARG 23 18.675 13.461 3.816 678 HH21 ARG 23 HH21 ARG 23 15.914 12.564 1.752 679 HH22 ARG 23 HH22 ARG 23 16.531 13.779 2.765 680 H ILE 24 H ILE 24 15.734 8.931 5.063 681 HA ILE 24 HA ILE 24 14.274 6.489 5.684 682 HB ILE 24 HB ILE 24 13.912 9.304 6.767 683 HG12 ILE 24 HG12 ILE 24 16.045 8.367 7.485 684 HG13 ILE 24 HG13 ILE 24 14.930 8.424 8.842 685 HG21 ILE 24 HG21 ILE 24 12.659 6.708 7.674 686 HG22 ILE 24 HG22 ILE 24 11.834 8.041 6.863 687 HG23 ILE 24 HG23 ILE 24 12.492 8.264 8.485 688 HD11 ILE 24 HD11 ILE 24 15.630 5.980 7.219 689 HD12 ILE 24 HD12 ILE 24 14.511 6.028 8.583 690 HD13 ILE 24 HD13 ILE 24 16.225 6.362 8.829 691 H LYS 25 H LYS 25 12.725 5.965 4.408 692 HA LYS 25 HA LYS 25 11.573 7.997 2.674 693 HB2 LYS 25 HB2 LYS 25 11.262 4.994 2.590 694 HB3 LYS 25 HB3 LYS 25 10.601 6.131 1.430 695 HG2 LYS 25 HG2 LYS 25 13.531 5.711 1.965 696 HG3 LYS 25 HG3 LYS 25 12.625 5.058 0.598 697 HD2 LYS 25 HD2 LYS 25 12.098 7.380 -0.114 698 HD3 LYS 25 HD3 LYS 25 13.064 7.961 1.250 699 HE2 LYS 25 HE2 LYS 25 15.019 6.963 0.392 700 HE3 LYS 25 HE3 LYS 25 14.123 6.193 -0.925 701 HZ1 LYS 25 HZ1 LYS 25 15.297 8.184 -1.688 702 HZ2 LYS 25 HZ2 LYS 25 14.468 9.138 -0.564 703 HZ3 LYS 25 HZ3 LYS 25 13.637 8.392 -1.809 704 H THR 26 H THR 26 9.684 8.767 2.922 705 HA THR 26 HA THR 26 7.850 7.549 4.902 706 HB THR 26 HB THR 26 6.874 9.862 5.041 707 HG1 THR 26 HG1 THR 26 9.305 10.697 3.875 708 HG21 THR 26 HG21 THR 26 9.778 9.589 5.817 709 HG22 THR 26 HG22 THR 26 8.393 9.046 6.764 710 HG23 THR 26 HG23 THR 26 8.647 10.771 6.482 711 H TYR 27 H TYR 27 6.056 6.784 4.240 712 HA TYR 27 HA TYR 27 5.010 7.715 1.687 713 HD1 TYR 27 HD1 TYR 27 4.773 6.228 -0.724 714 HD2 TYR 27 HD2 TYR 27 7.618 4.848 2.101 715 HE1 TYR 27 HE1 TYR 27 6.478 6.236 -2.469 716 HE2 TYR 27 HE2 TYR 27 9.340 4.823 0.383 717 HH TYR 27 HH TYR 27 9.577 4.806 -2.034 718 HB2 TYR 27 HB2 TYR 27 5.258 4.862 2.593 719 HB3 TYR 27 HB3 TYR 27 4.085 5.379 1.372 720 H THR 28 H THR 28 3.091 8.302 1.653 721 HA THR 28 HA THR 28 1.574 7.867 4.097 722 HB THR 28 HB THR 28 0.527 10.081 3.658 723 HG1 THR 28 HG1 THR 28 1.790 9.697 1.264 724 HG21 THR 28 HG21 THR 28 3.546 10.230 3.561 725 HG22 THR 28 HG22 THR 28 2.627 9.930 5.018 726 HG23 THR 28 HG23 THR 28 2.460 11.476 4.178 727 H ILE 29 H ILE 29 -0.507 7.197 3.911 728 HA ILE 29 HA ILE 29 -1.754 7.209 1.285 729 HB ILE 29 HB ILE 29 -1.559 4.800 3.105 730 HG12 ILE 29 HG12 ILE 29 -0.765 5.281 0.238 731 HG13 ILE 29 HG13 ILE 29 0.322 5.091 1.605 732 HG21 ILE 29 HG21 ILE 29 -3.082 3.608 1.588 733 HG22 ILE 29 HG22 ILE 29 -3.345 5.094 0.671 734 HG23 ILE 29 HG23 ILE 29 -3.884 4.981 2.345 735 HD11 ILE 29 HD11 ILE 29 0.299 3.090 0.306 736 HD12 ILE 29 HD12 ILE 29 -1.464 3.059 0.366 737 HD13 ILE 29 HD13 ILE 29 -0.546 2.771 1.836 738 H THR 30 H THR 30 -3.834 7.789 1.327 739 HA THR 30 HA THR 30 -5.046 8.011 3.954 740 HB THR 30 HB THR 30 -4.581 10.231 3.127 741 HG1 THR 30 HG1 THR 30 -6.548 11.014 3.547 742 HG21 THR 30 HG21 THR 30 -6.148 9.450 0.667 743 HG22 THR 30 HG22 THR 30 -4.417 9.775 0.734 744 HG23 THR 30 HG23 THR 30 -5.574 11.080 1.020 745 H GLU 31 H GLU 31 -6.931 7.075 4.205 746 HA GLU 31 HA GLU 31 -8.532 6.338 1.904 747 HB2 GLU 31 HB2 GLU 31 -7.085 4.407 2.329 748 HB3 GLU 31 HB3 GLU 31 -7.596 4.371 4.004 749 HG2 GLU 31 HG2 GLU 31 -8.673 2.677 2.598 750 HG3 GLU 31 HG3 GLU 31 -9.794 3.775 3.404 751 H GLY 32 H GLY 32 -10.467 7.115 2.285 752 HA2 GLY 32 HA2 GLY 32 -12.451 7.678 3.360 753 HA3 GLY 32 HA3 GLY 32 -11.925 6.701 4.728 754 H SER 33 H SER 33 -10.388 7.636 6.144 755 HA SER 33 HA SER 33 -9.762 10.452 6.083 756 HG SER 33 HG SER 33 -12.137 10.509 6.110 757 HB2 SER 33 HB2 SER 33 -11.376 9.312 8.393 758 HB3 SER 33 HB3 SER 33 -10.729 10.951 8.265 759 H LEU 34 H LEU 34 -8.797 7.441 6.319 760 HA LEU 34 HA LEU 34 -7.280 7.593 8.731 761 HG LEU 34 HG LEU 34 -5.806 5.021 7.434 762 HB2 LEU 34 HB2 LEU 34 -8.525 5.653 8.390 763 HB3 LEU 34 HB3 LEU 34 -8.049 5.524 6.711 764 HD11 LEU 34 HD11 LEU 34 -5.420 4.317 9.804 765 HD12 LEU 34 HD12 LEU 34 -7.042 4.886 10.205 766 HD13 LEU 34 HD13 LEU 34 -5.810 6.034 9.676 767 HD21 LEU 34 HD21 LEU 34 -7.420 3.308 6.830 768 HD22 LEU 34 HD22 LEU 34 -7.936 3.186 8.502 769 HD23 LEU 34 HD23 LEU 34 -6.300 2.696 8.059 770 H ARG 35 H ARG 35 -5.336 8.481 8.529 771 HA ARG 35 HA ARG 35 -3.996 8.454 5.927 772 HE ARG 35 HE ARG 35 -0.689 11.614 5.137 773 HB2 ARG 35 HB2 ARG 35 -4.534 10.647 6.990 774 HB3 ARG 35 HB3 ARG 35 -3.580 10.185 8.378 775 HG2 ARG 35 HG2 ARG 35 -2.265 11.671 7.080 776 HG3 ARG 35 HG3 ARG 35 -1.607 10.052 6.829 777 HD2 ARG 35 HD2 ARG 35 -2.742 9.888 4.695 778 HD3 ARG 35 HD3 ARG 35 -3.515 11.453 4.956 779 HH11 ARG 35 HH11 ARG 35 -3.378 11.705 2.820 780 HH12 ARG 35 HH12 ARG 35 -2.450 12.385 1.564 781 HH21 ARG 35 HH21 ARG 35 0.548 12.618 3.403 782 HH22 ARG 35 HH22 ARG 35 -0.178 12.904 1.900 783 H ALA 36 H ALA 36 -2.556 6.858 5.852 784 HA ALA 36 HA ALA 36 -1.237 5.991 8.328 785 HB1 ALA 36 HB1 ALA 36 -2.448 4.240 7.118 786 HB2 ALA 36 HB2 ALA 36 -0.716 3.919 7.129 787 HB3 ALA 36 HB3 ALA 36 -1.483 4.560 5.677 788 H VAL 37 H VAL 37 0.952 5.964 8.482 789 HA VAL 37 HA VAL 37 2.488 6.942 6.176 790 HB VAL 37 HB VAL 37 2.953 7.800 9.058 791 HG11 VAL 37 HG11 VAL 37 4.722 9.245 8.135 792 HG12 VAL 37 HG12 VAL 37 4.440 8.562 6.536 793 HG13 VAL 37 HG13 VAL 37 5.056 7.538 7.833 794 HG21 VAL 37 HG21 VAL 37 1.065 8.953 8.028 795 HG22 VAL 37 HG22 VAL 37 2.127 9.346 6.660 796 HG23 VAL 37 HG23 VAL 37 2.454 10.049 8.241 797 H ILE 38 H ILE 38 4.174 5.729 5.688 798 HA ILE 38 HA ILE 38 5.106 3.779 7.629 799 HB ILE 38 HB ILE 38 4.852 3.771 4.638 800 HG12 ILE 38 HG12 ILE 38 3.893 1.831 6.717 801 HG13 ILE 38 HG13 ILE 38 2.927 3.137 6.034 802 HG21 ILE 38 HG21 ILE 38 6.375 1.747 6.283 803 HG22 ILE 38 HG22 ILE 38 7.063 2.905 5.132 804 HG23 ILE 38 HG23 ILE 38 5.979 1.640 4.558 805 HD11 ILE 38 HD11 ILE 38 2.995 2.280 3.994 806 HD12 ILE 38 HD12 ILE 38 2.530 0.929 5.007 807 HD13 ILE 38 HD13 ILE 38 4.197 1.010 4.349 808 H PHE 39 H PHE 39 7.079 4.113 8.311 809 HA PHE 39 HA PHE 39 8.864 5.857 6.759 810 HD1 PHE 39 HD1 PHE 39 6.853 5.557 10.356 811 HD2 PHE 39 HD2 PHE 39 9.449 8.417 8.575 812 HE1 PHE 39 HE1 PHE 39 5.441 7.374 11.224 813 HE2 PHE 39 HE2 PHE 39 8.040 10.237 9.434 814 HZ PHE 39 HZ PHE 39 6.033 9.717 10.764 815 HB2 PHE 39 HB2 PHE 39 9.131 4.984 9.652 816 HB3 PHE 39 HB3 PHE 39 10.129 6.141 8.811 817 H ILE 40 H ILE 40 10.196 4.755 5.595 818 HA ILE 40 HA ILE 40 10.917 2.033 6.325 819 HB ILE 40 HB ILE 40 11.931 3.739 4.038 820 HG12 ILE 40 HG12 ILE 40 9.504 3.476 3.763 821 HG13 ILE 40 HG13 ILE 40 10.369 2.522 2.576 822 HG21 ILE 40 HG21 ILE 40 12.582 1.599 3.007 823 HG22 ILE 40 HG22 ILE 40 12.081 0.774 4.490 824 HG23 ILE 40 HG23 ILE 40 13.411 1.925 4.531 825 HD11 ILE 40 HD11 ILE 40 9.840 0.473 3.800 826 HD12 ILE 40 HD12 ILE 40 8.406 1.449 3.466 827 HD13 ILE 40 HD13 ILE 40 9.085 1.459 5.078 828 H THR 41 H THR 41 12.514 1.816 7.764 829 HA THR 41 HA THR 41 14.619 3.803 7.697 830 HB THR 41 HB THR 41 13.249 4.361 9.614 831 HG1 THR 41 HG1 THR 41 14.797 4.264 11.194 832 HG21 THR 41 HG21 THR 41 12.132 2.213 9.982 833 HG22 THR 41 HG22 THR 41 12.869 2.800 11.474 834 HG23 THR 41 HG23 THR 41 13.646 1.515 10.551 835 H LYS 42 H LYS 42 16.593 3.098 8.566 836 HA LYS 42 HA LYS 42 17.488 0.729 7.400 837 HB2 LYS 42 HB2 LYS 42 19.657 1.166 8.360 838 HB3 LYS 42 HB3 LYS 42 18.951 2.683 7.842 839 HG2 LYS 42 HG2 LYS 42 19.043 1.690 10.698 840 HG3 LYS 42 HG3 LYS 42 20.158 2.848 9.979 841 HD2 LYS 42 HD2 LYS 42 18.370 4.443 9.677 842 HD3 LYS 42 HD3 LYS 42 17.179 3.251 10.189 843 HE2 LYS 42 HE2 LYS 42 17.616 4.779 11.984 844 HE3 LYS 42 HE3 LYS 42 18.188 3.164 12.374 845 HZ1 LYS 42 HZ1 LYS 42 20.467 3.878 11.858 846 HZ2 LYS 42 HZ2 LYS 42 19.785 4.900 13.021 847 HZ3 LYS 42 HZ3 LYS 42 19.900 5.394 11.424 848 H ARG 43 H ARG 43 16.182 1.269 10.571 849 HA ARG 43 HA ARG 43 17.358 -1.232 11.519 850 HE ARG 43 HE ARG 43 17.506 -1.881 16.261 851 HB2 ARG 43 HB2 ARG 43 17.495 0.829 12.952 852 HB3 ARG 43 HB3 ARG 43 15.747 0.750 13.134 853 HG2 ARG 43 HG2 ARG 43 15.964 -1.460 14.172 854 HG3 ARG 43 HG3 ARG 43 17.712 -1.358 13.999 855 HD2 ARG 43 HD2 ARG 43 17.671 0.678 15.415 856 HD3 ARG 43 HD3 ARG 43 15.943 0.412 15.684 857 HH11 ARG 43 HH11 ARG 43 16.405 1.166 17.651 858 HH12 ARG 43 HH12 ARG 43 16.690 0.695 19.257 859 HH21 ARG 43 HH21 ARG 43 17.926 -2.506 18.434 860 HH22 ARG 43 HH22 ARG 43 17.596 -1.441 19.732 861 H GLY 44 H GLY 44 14.499 -0.234 10.043 862 HA2 GLY 44 HA2 GLY 44 13.333 -2.696 10.008 863 HA3 GLY 44 HA3 GLY 44 12.805 -2.035 11.537 864 H LEU 45 H LEU 45 10.711 -2.164 10.863 865 HA LEU 45 HA LEU 45 9.891 -0.227 8.804 866 HG LEU 45 HG LEU 45 7.118 -2.666 7.692 867 HB2 LEU 45 HB2 LEU 45 9.387 -2.584 8.236 868 HB3 LEU 45 HB3 LEU 45 8.549 -2.791 9.741 869 HD11 LEU 45 HD11 LEU 45 5.400 -1.135 8.581 870 HD12 LEU 45 HD12 LEU 45 6.522 -0.624 9.831 871 HD13 LEU 45 HD13 LEU 45 5.948 -2.313 9.730 872 HD21 LEU 45 HD21 LEU 45 7.916 0.235 7.677 873 HD22 LEU 45 HD22 LEU 45 6.648 -0.491 6.689 874 HD23 LEU 45 HD23 LEU 45 8.326 -0.981 6.462 875 H LYS 46 H LYS 46 8.904 1.521 9.604 876 HA LYS 46 HA LYS 46 7.678 1.309 12.273 877 HB2 LYS 46 HB2 LYS 46 9.724 2.729 12.148 878 HB3 LYS 46 HB3 LYS 46 8.939 3.695 10.920 879 HG2 LYS 46 HG2 LYS 46 8.788 4.908 12.970 880 HG3 LYS 46 HG3 LYS 46 7.183 4.254 12.637 881 HD2 LYS 46 HD2 LYS 46 7.569 2.445 14.205 882 HD3 LYS 46 HD3 LYS 46 9.214 3.036 14.473 883 HE2 LYS 46 HE2 LYS 46 8.298 5.145 15.338 884 HE3 LYS 46 HE3 LYS 46 6.666 4.510 15.127 885 HZ1 LYS 46 HZ1 LYS 46 8.747 3.383 16.933 886 HZ2 LYS 46 HZ2 LYS 46 7.196 2.769 16.782 887 HZ3 LYS 46 HZ3 LYS 46 7.439 4.291 17.419 888 H VAL 47 H VAL 47 5.542 1.563 12.194 889 HA VAL 47 HA VAL 47 4.422 2.955 9.870 890 HB VAL 47 HB VAL 47 3.873 0.549 9.887 891 HG11 VAL 47 HG11 VAL 47 2.552 1.127 12.527 892 HG12 VAL 47 HG12 VAL 47 3.951 0.095 12.256 893 HG13 VAL 47 HG13 VAL 47 2.367 -0.377 11.632 894 HG21 VAL 47 HG21 VAL 47 2.277 2.082 8.875 895 HG22 VAL 47 HG22 VAL 47 1.504 2.353 10.434 896 HG23 VAL 47 HG23 VAL 47 1.405 0.771 9.658 897 H CYS 48 H CYS 48 2.937 4.495 10.196 898 HA CYS 48 HA CYS 48 2.080 4.996 12.937 899 HB2 CYS 48 HB2 CYS 48 3.275 6.937 11.015 900 HB3 CYS 48 HB3 CYS 48 2.088 7.491 12.192 901 H ALA 49 H ALA 49 0.047 5.605 13.262 902 HA ALA 49 HA ALA 49 -1.579 5.813 10.845 903 HB1 ALA 49 HB1 ALA 49 -3.403 4.853 12.146 904 HB2 ALA 49 HB2 ALA 49 -2.344 4.742 13.555 905 HB3 ALA 49 HB3 ALA 49 -2.005 3.773 12.120 906 H ASP 50 H ASP 50 -2.457 7.677 10.589 907 HA ASP 50 HA ASP 50 -2.862 9.458 12.876 908 HB2 ASP 50 HB2 ASP 50 -1.089 10.141 11.179 909 HB3 ASP 50 HB3 ASP 50 -2.346 10.168 9.959 910 HA PRO 51 HA PRO 51 -6.762 8.300 10.943 911 HB2 PRO 51 HB2 PRO 51 -8.078 7.661 13.155 912 HB3 PRO 51 HB3 PRO 51 -6.812 6.640 12.467 913 HG2 PRO 51 HG2 PRO 51 -6.751 8.269 14.925 914 HG3 PRO 51 HG3 PRO 51 -5.717 6.909 14.456 915 HD2 PRO 51 HD2 PRO 51 -5.230 9.760 14.225 916 HD3 PRO 51 HD3 PRO 51 -4.119 8.394 13.935 917 H GLN 52 H GLN 52 -8.286 9.546 10.244 918 HA GLN 52 HA GLN 52 -9.969 10.880 10.028 919 HB2 GLN 52 HB2 GLN 52 -10.339 10.321 12.946 920 HB3 GLN 52 HB3 GLN 52 -11.536 11.167 11.966 921 HG2 GLN 52 HG2 GLN 52 -11.647 9.241 10.452 922 HG3 GLN 52 HG3 GLN 52 -10.479 8.392 11.455 923 HE21 GLN 52 HE21 GLN 52 -13.732 9.545 11.179 924 HE22 GLN 52 HE22 GLN 52 -14.372 8.624 12.489 925 H ALA 53 H ALA 53 -7.362 12.133 10.941 926 HA ALA 53 HA ALA 53 -8.359 14.712 11.833 927 HB1 ALA 53 HB1 ALA 53 -6.018 15.403 11.734 928 HB2 ALA 53 HB2 ALA 53 -5.596 13.861 11.003 929 HB3 ALA 53 HB3 ALA 53 -6.181 13.908 12.670 930 H THR 54 H THR 54 -6.764 13.261 9.073 931 HA THR 54 HA THR 54 -7.532 15.536 7.431 932 HB THR 54 HB THR 54 -5.615 13.312 6.806 933 HG1 THR 54 HG1 THR 54 -5.209 15.882 8.017 934 HG21 THR 54 HG21 THR 54 -6.409 14.590 4.882 935 HG22 THR 54 HG22 THR 54 -4.702 14.933 5.171 936 HG23 THR 54 HG23 THR 54 -5.930 16.096 5.663 937 H TRP 55 H TRP 55 -8.716 15.111 5.660 938 HA TRP 55 HA TRP 55 -10.277 12.697 5.599 939 HD1 TRP 55 HD1 TRP 55 -10.688 16.869 5.821 940 HE1 TRP 55 HE1 TRP 55 -12.621 17.228 7.478 941 HE3 TRP 55 HE3 TRP 55 -13.225 12.498 5.068 942 HZ2 TRP 55 HZ2 TRP 55 -14.918 15.834 8.356 943 HZ3 TRP 55 HZ3 TRP 55 -15.283 12.089 6.353 944 HH2 TRP 55 HH2 TRP 55 -16.106 13.726 7.965 945 HB2 TRP 55 HB2 TRP 55 -10.228 15.144 3.916 946 HB3 TRP 55 HB3 TRP 55 -11.402 13.836 3.658 947 H VAL 56 H VAL 56 -10.766 12.006 3.110 948 HA VAL 56 HA VAL 56 -8.215 10.932 2.219 949 HB VAL 56 HB VAL 56 -10.086 9.352 2.595 950 HG11 VAL 56 HG11 VAL 56 -11.968 10.725 1.999 951 HG12 VAL 56 HG12 VAL 56 -11.980 9.247 1.038 952 HG13 VAL 56 HG13 VAL 56 -11.449 10.766 0.313 953 HG21 VAL 56 HG21 VAL 56 -9.902 8.093 0.487 954 HG22 VAL 56 HG22 VAL 56 -8.345 8.723 1.020 955 HG23 VAL 56 HG23 VAL 56 -9.214 9.518 -0.293 956 H ARG 57 H ARG 57 -7.376 11.234 0.235 957 HA ARG 57 HA ARG 57 -8.766 12.225 -1.976 958 HE ARG 57 HE ARG 57 -6.103 16.188 -4.358 959 HB2 ARG 57 HB2 ARG 57 -8.528 14.414 -0.916 960 HB3 ARG 57 HB3 ARG 57 -6.810 14.140 -0.669 961 HG2 ARG 57 HG2 ARG 57 -6.417 14.166 -3.063 962 HG3 ARG 57 HG3 ARG 57 -8.143 14.318 -3.370 963 HD2 ARG 57 HD2 ARG 57 -8.175 16.487 -2.317 964 HD3 ARG 57 HD3 ARG 57 -6.476 16.326 -1.865 965 HH11 ARG 57 HH11 ARG 57 -8.797 18.055 -3.017 966 HH12 ARG 57 HH12 ARG 57 -8.744 19.258 -4.218 967 HH21 ARG 57 HH21 ARG 57 -6.028 17.886 -6.013 968 HH22 ARG 57 HH22 ARG 57 -7.145 19.160 -5.934 969 H ASP 58 H ASP 58 -7.954 10.743 -3.239 970 HA ASP 58 HA ASP 58 -5.226 9.943 -3.078 971 HB2 ASP 58 HB2 ASP 58 -5.683 8.575 -5.087 972 HB3 ASP 58 HB3 ASP 58 -6.932 8.347 -3.875 973 H VAL 59 H VAL 59 -3.533 10.598 -4.205 974 HA VAL 59 HA VAL 59 -3.431 13.240 -5.009 975 HB VAL 59 HB VAL 59 -1.439 11.063 -5.671 976 HG11 VAL 59 HG11 VAL 59 -1.076 13.031 -7.055 977 HG12 VAL 59 HG12 VAL 59 0.207 12.873 -5.857 978 HG13 VAL 59 HG13 VAL 59 -1.080 14.058 -5.622 979 HG21 VAL 59 HG21 VAL 59 -1.852 11.234 -3.274 980 HG22 VAL 59 HG22 VAL 59 -1.564 12.974 -3.337 981 HG23 VAL 59 HG23 VAL 59 -0.248 11.849 -3.671 982 H VAL 60 H VAL 60 -4.079 14.236 -6.775 983 HA VAL 60 HA VAL 60 -4.301 12.740 -9.224 984 HB VAL 60 HB VAL 60 -5.671 14.669 -10.057 985 HG11 VAL 60 HG11 VAL 60 -6.775 12.730 -9.159 986 HG12 VAL 60 HG12 VAL 60 -7.661 14.176 -8.686 987 HG13 VAL 60 HG13 VAL 60 -6.619 13.355 -7.517 988 HG21 VAL 60 HG21 VAL 60 -6.561 16.310 -8.471 989 HG22 VAL 60 HG22 VAL 60 -4.808 16.440 -8.584 990 HG23 VAL 60 HG23 VAL 60 -5.552 15.639 -7.195 Start of MODEL 12 1 HA VAL 1 HA VAL 1 5.107 -12.498 22.065 2 HB VAL 1 HB VAL 1 3.318 -11.582 24.347 3 H1 VAL 1 H1 VAL 1 4.295 -13.922 24.499 4 H2 VAL 1 H2 VAL 1 5.429 -14.444 23.393 5 H3 VAL 1 H3 VAL 1 3.811 -14.333 22.931 6 HG11 VAL 1 HG11 VAL 1 4.661 -9.752 23.442 7 HG12 VAL 1 HG12 VAL 1 2.964 -9.555 23.001 8 HG13 VAL 1 HG13 VAL 1 4.122 -10.148 21.811 9 HG21 VAL 1 HG21 VAL 1 2.146 -13.136 22.897 10 HG22 VAL 1 HG22 VAL 1 2.624 -12.199 21.480 11 HG23 VAL 1 HG23 VAL 1 1.527 -11.504 22.668 12 H GLY 2 H GLY 2 6.957 -11.414 22.306 13 HA2 GLY 2 HA2 GLY 2 7.735 -10.186 24.722 14 HA3 GLY 2 HA3 GLY 2 8.638 -11.676 24.447 15 H SER 3 H SER 3 10.538 -10.506 24.136 16 HA SER 3 HA SER 3 10.576 -8.908 21.712 17 HG SER 3 HG SER 3 13.469 -7.285 22.816 18 HB2 SER 3 HB2 SER 3 11.584 -7.885 23.727 19 HB3 SER 3 HB3 SER 3 12.692 -9.247 23.856 20 H GLU 4 H GLU 4 10.552 -10.432 20.139 21 HA GLU 4 HA GLU 4 12.974 -12.058 19.956 22 HB2 GLU 4 HB2 GLU 4 11.121 -13.576 20.525 23 HB3 GLU 4 HB3 GLU 4 10.191 -12.956 19.165 24 HG2 GLU 4 HG2 GLU 4 11.914 -13.786 17.622 25 HG3 GLU 4 HG3 GLU 4 12.804 -14.449 18.986 26 H VAL 5 H VAL 5 14.071 -11.323 18.291 27 HA VAL 5 HA VAL 5 12.562 -10.178 16.100 28 HB VAL 5 HB VAL 5 15.565 -10.121 16.530 29 HG11 VAL 5 HG11 VAL 5 14.959 -9.907 14.178 30 HG12 VAL 5 HG12 VAL 5 15.566 -8.373 14.802 31 HG13 VAL 5 HG13 VAL 5 13.835 -8.607 14.573 32 HG21 VAL 5 HG21 VAL 5 13.501 -7.980 17.038 33 HG22 VAL 5 HG22 VAL 5 15.248 -7.773 17.149 34 HG23 VAL 5 HG23 VAL 5 14.419 -8.860 18.261 35 H SER 6 H SER 6 11.775 -12.213 15.496 36 HA SER 6 HA SER 6 13.710 -13.880 14.149 37 HG SER 6 HG SER 6 10.395 -14.755 16.054 38 HB2 SER 6 HB2 SER 6 11.679 -15.449 13.980 39 HB3 SER 6 HB3 SER 6 12.354 -15.195 15.587 40 H ASP 7 H ASP 7 13.589 -14.221 11.981 41 HA ASP 7 HA ASP 7 12.455 -11.949 10.633 42 HB2 ASP 7 HB2 ASP 7 14.194 -14.146 9.523 43 HB3 ASP 7 HB3 ASP 7 13.760 -12.659 8.680 44 H LYS 8 H LYS 8 10.401 -12.212 10.555 45 HA LYS 8 HA LYS 8 9.221 -14.034 8.566 46 HB2 LYS 8 HB2 LYS 8 8.941 -15.132 10.789 47 HB3 LYS 8 HB3 LYS 8 8.201 -13.665 11.408 48 HG2 LYS 8 HG2 LYS 8 6.378 -13.935 9.734 49 HG3 LYS 8 HG3 LYS 8 7.101 -15.465 9.247 50 HD2 LYS 8 HD2 LYS 8 6.092 -14.812 12.025 51 HD3 LYS 8 HD3 LYS 8 5.235 -15.773 10.826 52 HE2 LYS 8 HE2 LYS 8 7.924 -16.461 12.009 53 HE3 LYS 8 HE3 LYS 8 6.388 -17.156 12.511 54 HZ1 LYS 8 HZ1 LYS 8 7.591 -17.416 9.797 55 HZ2 LYS 8 HZ2 LYS 8 6.117 -18.065 10.295 56 HZ3 LYS 8 HZ3 LYS 8 7.555 -18.609 10.961 57 H ARG 9 H ARG 9 7.553 -13.073 7.543 58 HA ARG 9 HA ARG 9 7.486 -10.272 7.729 59 HE ARG 9 HE ARG 9 3.813 -14.136 4.806 60 HB2 ARG 9 HB2 ARG 9 5.604 -10.410 6.100 61 HB3 ARG 9 HB3 ARG 9 7.084 -11.203 5.605 62 HG2 ARG 9 HG2 ARG 9 6.125 -13.339 6.221 63 HG3 ARG 9 HG3 ARG 9 4.615 -12.518 6.666 64 HD2 ARG 9 HD2 ARG 9 4.366 -11.629 4.446 65 HD3 ARG 9 HD3 ARG 9 5.919 -12.307 3.972 66 HH11 ARG 9 HH11 ARG 9 5.723 -12.664 2.207 67 HH12 ARG 9 HH12 ARG 9 5.315 -13.835 1.044 68 HH21 ARG 9 HH21 ARG 9 3.230 -15.762 3.177 69 HH22 ARG 9 HH22 ARG 9 3.892 -15.630 1.608 70 H THR 10 H THR 10 6.742 -9.239 9.316 71 HA THR 10 HA THR 10 4.575 -10.324 10.893 72 HB THR 10 HB THR 10 5.298 -8.518 12.506 73 HG1 THR 10 HG1 THR 10 6.520 -7.453 10.705 74 HG21 THR 10 HG21 THR 10 7.233 -9.821 13.306 75 HG22 THR 10 HG22 THR 10 7.325 -10.639 11.745 76 HG23 THR 10 HG23 THR 10 5.928 -10.884 12.793 77 H CYS 11 H CYS 11 2.815 -9.102 11.505 78 HA CYS 11 HA CYS 11 2.295 -6.685 9.936 79 HB2 CYS 11 HB2 CYS 11 0.342 -8.891 10.671 80 HB3 CYS 11 HB3 CYS 11 -0.031 -7.434 9.770 81 H VAL 12 H VAL 12 0.851 -5.238 11.044 82 HA VAL 12 HA VAL 12 0.382 -5.817 13.889 83 HB VAL 12 HB VAL 12 1.494 -3.176 12.858 84 HG11 VAL 12 HG11 VAL 12 0.753 -3.976 15.677 85 HG12 VAL 12 HG12 VAL 12 -0.109 -2.815 14.670 86 HG13 VAL 12 HG13 VAL 12 1.535 -2.466 15.205 87 HG21 VAL 12 HG21 VAL 12 2.703 -5.199 14.722 88 HG22 VAL 12 HG22 VAL 12 3.425 -3.663 14.225 89 HG23 VAL 12 HG23 VAL 12 3.145 -4.927 13.032 90 H SER 13 H SER 13 -1.504 -5.127 14.703 91 HA SER 13 HA SER 13 -3.293 -3.647 12.942 92 HG SER 13 HG SER 13 -3.485 -5.137 16.154 93 HB2 SER 13 HB2 SER 13 -5.056 -4.679 14.423 94 HB3 SER 13 HB3 SER 13 -4.131 -5.848 13.479 95 H LEU 14 H LEU 14 -3.789 -1.640 13.599 96 HA LEU 14 HA LEU 14 -2.985 -0.841 16.308 97 HG LEU 14 HG LEU 14 -1.139 -0.421 13.810 98 HB2 LEU 14 HB2 LEU 14 -3.242 0.828 13.828 99 HB3 LEU 14 HB3 LEU 14 -2.871 1.452 15.417 100 HD11 LEU 14 HD11 LEU 14 -0.752 2.449 14.607 101 HD12 LEU 14 HD12 LEU 14 -1.224 1.907 13.004 102 HD13 LEU 14 HD13 LEU 14 0.364 1.474 13.655 103 HD21 LEU 14 HD21 LEU 14 0.485 -0.068 15.580 104 HD22 LEU 14 HD22 LEU 14 -0.955 -0.869 16.193 105 HD23 LEU 14 HD23 LEU 14 -0.705 0.851 16.504 106 H THR 15 H THR 15 -4.441 -0.236 17.697 107 HA THR 15 HA THR 15 -7.125 0.283 16.774 108 HB THR 15 HB THR 15 -7.648 0.217 19.234 109 HG1 THR 15 HG1 THR 15 -5.544 0.813 19.902 110 HG21 THR 15 HG21 THR 15 -6.165 -2.198 18.172 111 HG22 THR 15 HG22 THR 15 -7.861 -1.828 17.875 112 HG23 THR 15 HG23 THR 15 -7.316 -2.209 19.507 113 H THR 16 H THR 16 -7.515 2.323 16.318 114 HA THR 16 HA THR 16 -6.706 4.389 18.181 115 HB THR 16 HB THR 16 -4.955 4.406 16.418 116 HG1 THR 16 HG1 THR 16 -5.039 6.465 16.805 117 HG21 THR 16 HG21 THR 16 -6.244 3.426 14.571 118 HG22 THR 16 HG22 THR 16 -5.521 4.958 14.074 119 HG23 THR 16 HG23 THR 16 -7.237 4.880 14.482 120 H GLN 17 H GLN 17 -7.800 6.535 16.823 121 HA GLN 17 HA GLN 17 -10.596 6.041 17.167 122 HB2 GLN 17 HB2 GLN 17 -9.640 8.219 17.769 123 HB3 GLN 17 HB3 GLN 17 -9.169 8.491 16.100 124 HG2 GLN 17 HG2 GLN 17 -11.173 9.759 16.705 125 HG3 GLN 17 HG3 GLN 17 -11.495 8.592 15.425 126 HE21 GLN 17 HE21 GLN 17 -12.020 9.396 18.751 127 HE22 GLN 17 HE22 GLN 17 -13.307 8.282 19.018 128 H ARG 18 H ARG 18 -11.510 4.758 15.725 129 HA ARG 18 HA ARG 18 -11.149 5.473 12.953 130 HE ARG 18 HE ARG 18 -11.492 0.281 15.821 131 HB2 ARG 18 HB2 ARG 18 -11.263 3.010 12.366 132 HB3 ARG 18 HB3 ARG 18 -9.774 3.626 13.052 133 HG2 ARG 18 HG2 ARG 18 -10.290 1.430 13.986 134 HG3 ARG 18 HG3 ARG 18 -10.374 2.662 15.237 135 HD2 ARG 18 HD2 ARG 18 -12.840 2.698 14.960 136 HD3 ARG 18 HD3 ARG 18 -12.694 1.382 13.801 137 HH11 ARG 18 HH11 ARG 18 -14.382 2.297 15.924 138 HH12 ARG 18 HH12 ARG 18 -15.078 1.521 17.272 139 HH21 ARG 18 HH21 ARG 18 -12.425 -0.805 17.672 140 HH22 ARG 18 HH22 ARG 18 -13.919 -0.294 18.306 141 H LEU 19 H LEU 19 -12.696 5.075 11.535 142 HA LEU 19 HA LEU 19 -15.355 4.884 12.654 143 HG LEU 19 HG LEU 19 -13.001 6.497 10.271 144 HB2 LEU 19 HB2 LEU 19 -15.961 5.981 10.411 145 HB3 LEU 19 HB3 LEU 19 -15.105 6.956 11.577 146 HD11 LEU 19 HD11 LEU 19 -13.646 4.523 9.055 147 HD12 LEU 19 HD12 LEU 19 -13.165 5.825 7.967 148 HD13 LEU 19 HD13 LEU 19 -14.875 5.444 8.175 149 HD21 LEU 19 HD21 LEU 19 -15.253 7.955 8.925 150 HD22 LEU 19 HD22 LEU 19 -13.551 8.107 8.513 151 HD23 LEU 19 HD23 LEU 19 -14.106 8.598 10.109 152 HA PRO 20 HA PRO 20 -16.055 1.032 10.657 153 HB2 PRO 20 HB2 PRO 20 -18.447 1.360 9.337 154 HB3 PRO 20 HB3 PRO 20 -18.314 1.047 11.070 155 HG2 PRO 20 HG2 PRO 20 -18.742 3.626 9.639 156 HG3 PRO 20 HG3 PRO 20 -19.455 3.054 11.157 157 HD2 PRO 20 HD2 PRO 20 -17.422 4.823 11.049 158 HD3 PRO 20 HD3 PRO 20 -17.591 3.668 12.400 159 H VAL 21 H VAL 21 -15.362 0.132 8.923 160 HA VAL 21 HA VAL 21 -15.314 1.588 6.368 161 HB VAL 21 HB VAL 21 -13.138 -0.263 7.426 162 HG11 VAL 21 HG11 VAL 21 -11.878 0.383 5.429 163 HG12 VAL 21 HG12 VAL 21 -13.249 1.343 4.873 164 HG13 VAL 21 HG13 VAL 21 -13.393 -0.410 5.004 165 HG21 VAL 21 HG21 VAL 21 -11.709 1.740 7.473 166 HG22 VAL 21 HG22 VAL 21 -13.088 1.902 8.561 167 HG23 VAL 21 HG23 VAL 21 -13.092 2.728 7.005 168 H SER 22 H SER 22 -16.277 0.511 4.790 169 HA SER 22 HA SER 22 -17.305 -2.106 5.393 170 HG SER 22 HG SER 22 -18.952 0.736 4.451 171 HB2 SER 22 HB2 SER 22 -17.817 -0.289 3.053 172 HB3 SER 22 HB3 SER 22 -18.717 -1.755 3.446 173 H ARG 23 H ARG 23 -15.506 -0.692 2.596 174 HA ARG 23 HA ARG 23 -14.876 -3.427 1.803 175 HE ARG 23 HE ARG 23 -14.984 -3.741 -1.534 176 HB2 ARG 23 HB2 ARG 23 -14.296 -0.825 0.358 177 HB3 ARG 23 HB3 ARG 23 -13.994 -2.437 -0.263 178 HG2 ARG 23 HG2 ARG 23 -16.714 -1.288 0.373 179 HG3 ARG 23 HG3 ARG 23 -16.013 -1.456 -1.235 180 HD2 ARG 23 HD2 ARG 23 -16.675 -3.708 0.667 181 HD3 ARG 23 HD3 ARG 23 -17.607 -3.243 -0.751 182 HH11 ARG 23 HH11 ARG 23 -17.807 -5.536 -0.378 183 HH12 ARG 23 HH12 ARG 23 -17.370 -6.995 -1.128 184 HH21 ARG 23 HH21 ARG 23 -14.380 -5.758 -2.557 185 HH22 ARG 23 HH22 ARG 23 -15.368 -7.123 -2.382 186 H ILE 24 H ILE 24 -12.920 -4.291 1.948 187 HA ILE 24 HA ILE 24 -10.969 -2.931 3.585 188 HB ILE 24 HB ILE 24 -10.909 -5.715 2.369 189 HG12 ILE 24 HG12 ILE 24 -12.771 -5.499 3.946 190 HG13 ILE 24 HG13 ILE 24 -11.519 -6.532 4.623 191 HG21 ILE 24 HG21 ILE 24 -9.144 -6.196 4.017 192 HG22 ILE 24 HG22 ILE 24 -9.173 -4.509 4.528 193 HG23 ILE 24 HG23 ILE 24 -8.672 -4.923 2.890 194 HD11 ILE 24 HD11 ILE 24 -12.040 -3.648 5.342 195 HD12 ILE 24 HD12 ILE 24 -10.747 -4.651 6.001 196 HD13 ILE 24 HD13 ILE 24 -12.431 -5.066 6.311 197 H LYS 25 H LYS 25 -9.335 -1.875 2.775 198 HA LYS 25 HA LYS 25 -8.744 -2.214 -0.088 199 HB2 LYS 25 HB2 LYS 25 -8.099 0.206 1.643 200 HB3 LYS 25 HB3 LYS 25 -7.885 -0.015 -0.099 201 HG2 LYS 25 HG2 LYS 25 -10.559 -0.060 1.232 202 HG3 LYS 25 HG3 LYS 25 -9.834 1.374 0.499 203 HD2 LYS 25 HD2 LYS 25 -10.173 -1.210 -0.908 204 HD3 LYS 25 HD3 LYS 25 -11.435 0.031 -0.980 205 HE2 LYS 25 HE2 LYS 25 -8.554 0.226 -1.948 206 HE3 LYS 25 HE3 LYS 25 -9.962 0.065 -2.975 207 HZ1 LYS 25 HZ1 LYS 25 -9.165 2.338 -2.888 208 HZ2 LYS 25 HZ2 LYS 25 -9.373 2.418 -1.227 209 HZ3 LYS 25 HZ3 LYS 25 -10.705 2.270 -2.237 210 H THR 26 H THR 26 -6.681 -2.519 -0.799 211 HA THR 26 HA THR 26 -4.603 -3.080 1.250 212 HB THR 26 HB THR 26 -5.037 -4.407 -1.436 213 HG1 THR 26 HG1 THR 26 -6.383 -4.718 0.774 214 HG21 THR 26 HG21 THR 26 -2.714 -4.425 -0.594 215 HG22 THR 26 HG22 THR 26 -3.411 -6.048 -0.567 216 HG23 THR 26 HG23 THR 26 -3.275 -5.118 0.927 217 H TYR 27 H TYR 27 -2.906 -1.885 1.069 218 HA TYR 27 HA TYR 27 -2.331 -0.665 -1.513 219 HD1 TYR 27 HD1 TYR 27 -4.668 0.699 1.249 220 HD2 TYR 27 HD2 TYR 27 -2.456 2.252 -2.016 221 HE1 TYR 27 HE1 TYR 27 -6.680 1.848 0.455 222 HE2 TYR 27 HE2 TYR 27 -4.417 3.400 -2.843 223 HH TYR 27 HH TYR 27 -7.326 3.614 -0.913 224 HB2 TYR 27 HB2 TYR 27 -2.238 0.621 1.193 225 HB3 TYR 27 HB3 TYR 27 -1.341 1.258 -0.187 226 H THR 28 H THR 28 -0.440 -0.815 -2.234 227 HA THR 28 HA THR 28 1.488 -2.222 -0.539 228 HB THR 28 HB THR 28 2.371 -3.254 -2.664 229 HG1 THR 28 HG1 THR 28 0.866 -1.469 -3.804 230 HG21 THR 28 HG21 THR 28 0.518 -4.870 -2.918 231 HG22 THR 28 HG22 THR 28 -0.541 -3.781 -2.019 232 HG23 THR 28 HG23 THR 28 0.847 -4.519 -1.227 233 H ILE 29 H ILE 29 3.341 -1.204 -0.144 234 HA ILE 29 HA ILE 29 4.407 0.640 -2.169 235 HB ILE 29 HB ILE 29 4.462 1.029 0.838 236 HG12 ILE 29 HG12 ILE 29 3.155 2.664 -1.344 237 HG13 ILE 29 HG13 ILE 29 2.329 1.683 -0.138 238 HG21 ILE 29 HG21 ILE 29 5.777 2.716 -1.302 239 HG22 ILE 29 HG22 ILE 29 6.597 1.702 -0.114 240 HG23 ILE 29 HG23 ILE 29 5.692 3.116 0.416 241 HD11 ILE 29 HD11 ILE 29 2.230 4.031 0.444 242 HD12 ILE 29 HD12 ILE 29 3.993 4.117 0.380 243 HD13 ILE 29 HD13 ILE 29 3.215 3.133 1.611 244 H THR 30 H THR 30 6.432 0.113 -2.762 245 HA THR 30 HA THR 30 7.953 -1.491 -0.870 246 HB THR 30 HB THR 30 7.324 -2.826 -2.848 247 HG1 THR 30 HG1 THR 30 9.533 -2.737 -1.728 248 HG21 THR 30 HG21 THR 30 8.929 -0.787 -4.421 249 HG22 THR 30 HG22 THR 30 7.190 -1.050 -4.549 250 HG23 THR 30 HG23 THR 30 8.311 -2.310 -5.063 251 H GLU 31 H GLU 31 9.983 -0.776 -0.445 252 HA GLU 31 HA GLU 31 11.057 1.417 -2.034 253 HB2 GLU 31 HB2 GLU 31 9.763 2.503 -0.299 254 HB3 GLU 31 HB3 GLU 31 10.523 1.522 0.937 255 HG2 GLU 31 HG2 GLU 31 11.355 3.789 0.914 256 HG3 GLU 31 HG3 GLU 31 12.616 2.616 0.571 257 H GLY 32 H GLY 32 12.994 0.630 -2.619 258 HA2 GLY 32 HA2 GLY 32 15.201 0.023 -2.295 259 HA3 GLY 32 HA3 GLY 32 14.882 -0.078 -0.577 260 H SER 33 H SER 33 13.486 -1.912 0.024 261 HA SER 33 HA SER 33 13.498 -4.252 -1.663 262 HG SER 33 HG SER 33 15.786 -3.717 -1.646 263 HB2 SER 33 HB2 SER 33 15.213 -4.283 0.831 264 HB3 SER 33 HB3 SER 33 14.782 -5.710 -0.107 265 H LEU 34 H LEU 34 12.287 -2.564 1.108 266 HA LEU 34 HA LEU 34 10.920 -4.967 1.974 267 HG LEU 34 HG LEU 34 9.486 -1.582 2.922 268 HB2 LEU 34 HB2 LEU 34 10.021 -3.772 3.891 269 HB3 LEU 34 HB3 LEU 34 11.724 -3.395 3.783 270 HD11 LEU 34 HD11 LEU 34 9.959 -0.395 5.027 271 HD12 LEU 34 HD12 LEU 34 11.124 -1.646 5.463 272 HD13 LEU 34 HD13 LEU 34 9.413 -2.045 5.322 273 HD21 LEU 34 HD21 LEU 34 11.643 -1.156 1.855 274 HD22 LEU 34 HD22 LEU 34 12.410 -1.075 3.427 275 HD23 LEU 34 HD23 LEU 34 11.221 0.140 2.947 276 H ARG 35 H ARG 35 8.867 -5.401 1.773 277 HA ARG 35 HA ARG 35 7.233 -3.642 0.071 278 HE ARG 35 HE ARG 35 7.443 -7.227 -3.380 279 HB2 ARG 35 HB2 ARG 35 6.824 -6.476 1.001 280 HB3 ARG 35 HB3 ARG 35 5.756 -5.622 -0.092 281 HG2 ARG 35 HG2 ARG 35 8.608 -6.326 -0.656 282 HG3 ARG 35 HG3 ARG 35 7.252 -7.342 -1.157 283 HD2 ARG 35 HD2 ARG 35 6.494 -5.125 -2.338 284 HD3 ARG 35 HD3 ARG 35 8.197 -4.686 -2.146 285 HH11 ARG 35 HH11 ARG 35 9.206 -4.137 -3.719 286 HH12 ARG 35 HH12 ARG 35 9.722 -4.538 -5.300 287 HH21 ARG 35 HH21 ARG 35 8.236 -7.668 -5.524 288 HH22 ARG 35 HH22 ARG 35 9.241 -6.518 -6.290 289 H ALA 36 H ALA 36 5.851 -2.368 1.239 290 HA ALA 36 HA ALA 36 4.987 -3.330 3.865 291 HB1 ALA 36 HB1 ALA 36 4.547 -0.968 4.378 292 HB2 ALA 36 HB2 ALA 36 5.105 -0.521 2.765 293 HB3 ALA 36 HB3 ALA 36 6.233 -1.225 3.924 294 H VAL 37 H VAL 37 2.937 -3.890 4.040 295 HA VAL 37 HA VAL 37 1.085 -2.933 1.953 296 HB VAL 37 HB VAL 37 0.990 -5.641 3.330 297 HG11 VAL 37 HG11 VAL 37 -0.923 -6.094 1.862 298 HG12 VAL 37 HG12 VAL 37 -0.843 -4.443 1.248 299 HG13 VAL 37 HG13 VAL 37 -1.263 -4.736 2.934 300 HG21 VAL 37 HG21 VAL 37 1.318 -6.498 1.074 301 HG22 VAL 37 HG22 VAL 37 2.680 -5.449 1.561 302 HG23 VAL 37 HG23 VAL 37 1.385 -4.833 0.510 303 H ILE 38 H ILE 38 -0.575 -1.795 2.558 304 HA ILE 38 HA ILE 38 -1.258 -1.615 5.362 305 HB ILE 38 HB ILE 38 -1.550 0.138 2.944 306 HG12 ILE 38 HG12 ILE 38 -0.140 0.614 5.553 307 HG13 ILE 38 HG13 ILE 38 0.628 0.060 4.069 308 HG21 ILE 38 HG21 ILE 38 -3.597 0.354 4.229 309 HG22 ILE 38 HG22 ILE 38 -2.608 1.805 4.294 310 HG23 ILE 38 HG23 ILE 38 -2.651 0.707 5.687 311 HD11 ILE 38 HD11 ILE 38 -0.892 2.629 4.294 312 HD12 ILE 38 HD12 ILE 38 0.114 2.042 2.971 313 HD13 ILE 38 HD13 ILE 38 0.853 2.491 4.533 314 H PHE 39 H PHE 39 -3.102 -2.696 5.906 315 HA PHE 39 HA PHE 39 -5.140 -3.055 3.847 316 HD1 PHE 39 HD1 PHE 39 -5.762 -5.936 3.255 317 HD2 PHE 39 HD2 PHE 39 -2.529 -5.469 5.967 318 HE1 PHE 39 HE1 PHE 39 -4.521 -7.708 2.075 319 HE2 PHE 39 HE2 PHE 39 -1.286 -7.236 4.806 320 HZ PHE 39 HZ PHE 39 -2.284 -8.361 2.854 321 HB2 PHE 39 HB2 PHE 39 -4.655 -4.553 6.436 322 HB3 PHE 39 HB3 PHE 39 -6.051 -4.801 5.397 323 H ILE 40 H ILE 40 -6.668 -1.713 3.996 324 HA ILE 40 HA ILE 40 -7.063 -0.224 6.450 325 HB ILE 40 HB ILE 40 -8.422 0.029 3.766 326 HG12 ILE 40 HG12 ILE 40 -6.086 0.691 3.529 327 HG13 ILE 40 HG13 ILE 40 -7.097 2.123 3.573 328 HG21 ILE 40 HG21 ILE 40 -9.907 0.819 5.430 329 HG22 ILE 40 HG22 ILE 40 -9.199 2.234 4.641 330 HG23 ILE 40 HG23 ILE 40 -8.613 1.718 6.225 331 HD11 ILE 40 HD11 ILE 40 -6.426 2.581 5.855 332 HD12 ILE 40 HD12 ILE 40 -5.026 2.368 4.775 333 HD13 ILE 40 HD13 ILE 40 -5.471 1.079 5.858 334 H THR 41 H THR 41 -8.434 -0.879 7.910 335 HA THR 41 HA THR 41 -10.735 -2.411 7.071 336 HB THR 41 HB THR 41 -9.117 -4.087 7.759 337 HG1 THR 41 HG1 THR 41 -10.530 -5.143 8.995 338 HG21 THR 41 HG21 THR 41 -7.626 -2.695 9.126 339 HG22 THR 41 HG22 THR 41 -8.141 -4.117 10.032 340 HG23 THR 41 HG23 THR 41 -8.882 -2.549 10.357 341 H LYS 42 H LYS 42 -12.151 -2.686 9.002 342 HA LYS 42 HA LYS 42 -12.897 -0.118 10.032 343 HB2 LYS 42 HB2 LYS 42 -14.670 -1.397 11.098 344 HB3 LYS 42 HB3 LYS 42 -14.573 -1.685 9.368 345 HG2 LYS 42 HG2 LYS 42 -13.560 -3.809 9.640 346 HG3 LYS 42 HG3 LYS 42 -13.214 -3.502 11.336 347 HD2 LYS 42 HD2 LYS 42 -15.954 -3.758 10.162 348 HD3 LYS 42 HD3 LYS 42 -15.081 -5.061 10.981 349 HE2 LYS 42 HE2 LYS 42 -14.859 -3.606 12.934 350 HE3 LYS 42 HE3 LYS 42 -15.833 -2.407 12.151 351 HZ1 LYS 42 HZ1 LYS 42 -17.684 -3.965 12.002 352 HZ2 LYS 42 HZ2 LYS 42 -17.214 -3.752 13.613 353 HZ3 LYS 42 HZ3 LYS 42 -16.757 -5.153 12.794 354 H ARG 43 H ARG 43 -10.896 -2.681 11.040 355 HA ARG 43 HA ARG 43 -11.259 -2.270 13.910 356 HE ARG 43 HE ARG 43 -9.686 -5.054 17.073 357 HB2 ARG 43 HB2 ARG 43 -10.791 -4.523 12.555 358 HB3 ARG 43 HB3 ARG 43 -9.125 -4.006 12.640 359 HG2 ARG 43 HG2 ARG 43 -10.874 -4.481 15.066 360 HG3 ARG 43 HG3 ARG 43 -9.855 -5.711 14.354 361 HD2 ARG 43 HD2 ARG 43 -7.880 -4.367 14.878 362 HD3 ARG 43 HD3 ARG 43 -8.911 -3.099 15.542 363 HH11 ARG 43 HH11 ARG 43 -6.366 -4.434 16.044 364 HH12 ARG 43 HH12 ARG 43 -5.665 -5.109 17.453 365 HH21 ARG 43 HH21 ARG 43 -8.674 -5.967 19.041 366 HH22 ARG 43 HH22 ARG 43 -6.981 -5.979 19.131 367 H GLY 44 H GLY 44 -10.064 -0.539 11.700 368 HA2 GLY 44 HA2 GLY 44 -8.773 1.466 12.224 369 HA3 GLY 44 HA3 GLY 44 -7.802 0.489 13.317 370 H LEU 45 H LEU 45 -5.841 0.280 12.609 371 HA LEU 45 HA LEU 45 -5.398 0.099 9.676 372 HG LEU 45 HG LEU 45 -2.253 0.072 9.912 373 HB2 LEU 45 HB2 LEU 45 -4.359 2.110 10.659 374 HB3 LEU 45 HB3 LEU 45 -3.485 1.114 11.802 375 HD11 LEU 45 HD11 LEU 45 -3.837 0.380 8.135 376 HD12 LEU 45 HD12 LEU 45 -2.296 1.131 7.723 377 HD13 LEU 45 HD13 LEU 45 -3.651 2.133 8.238 378 HD21 LEU 45 HD21 LEU 45 -2.010 3.085 10.010 379 HD22 LEU 45 HD22 LEU 45 -0.799 1.977 9.408 380 HD23 LEU 45 HD23 LEU 45 -1.193 1.969 11.110 381 H LYS 46 H LYS 46 -4.405 -1.600 8.874 382 HA LYS 46 HA LYS 46 -3.104 -3.484 10.708 383 HB2 LYS 46 HB2 LYS 46 -5.445 -4.093 9.867 384 HB3 LYS 46 HB3 LYS 46 -4.784 -4.118 8.259 385 HG2 LYS 46 HG2 LYS 46 -4.191 -6.002 10.552 386 HG3 LYS 46 HG3 LYS 46 -5.046 -6.342 9.049 387 HD2 LYS 46 HD2 LYS 46 -2.845 -5.860 7.871 388 HD3 LYS 46 HD3 LYS 46 -2.113 -5.871 9.478 389 HE2 LYS 46 HE2 LYS 46 -3.637 -8.145 8.215 390 HE3 LYS 46 HE3 LYS 46 -1.889 -8.051 8.393 391 HZ1 LYS 46 HZ1 LYS 46 -3.891 -8.233 10.583 392 HZ2 LYS 46 HZ2 LYS 46 -2.234 -8.097 10.851 393 HZ3 LYS 46 HZ3 LYS 46 -2.880 -9.438 10.063 394 H VAL 47 H VAL 47 -1.025 -3.658 10.028 395 HA VAL 47 HA VAL 47 -0.426 -3.079 7.206 396 HB VAL 47 HB VAL 47 0.193 -1.158 8.664 397 HG11 VAL 47 HG11 VAL 47 2.212 -1.417 10.082 398 HG12 VAL 47 HG12 VAL 47 2.031 -3.155 9.946 399 HG13 VAL 47 HG13 VAL 47 0.762 -2.201 10.734 400 HG21 VAL 47 HG21 VAL 47 1.402 -1.495 6.578 401 HG22 VAL 47 HG22 VAL 47 2.526 -2.589 7.387 402 HG23 VAL 47 HG23 VAL 47 2.500 -0.881 7.817 403 H CYS 48 H CYS 48 1.076 -4.355 6.276 404 HA CYS 48 HA CYS 48 2.329 -6.390 7.975 405 HB2 CYS 48 HB2 CYS 48 1.141 -6.737 5.231 406 HB3 CYS 48 HB3 CYS 48 2.261 -7.896 5.944 407 H ALA 49 H ALA 49 4.425 -6.905 7.616 408 HA ALA 49 HA ALA 49 5.788 -5.186 5.663 409 HB1 ALA 49 HB1 ALA 49 6.810 -6.393 8.227 410 HB2 ALA 49 HB2 ALA 49 6.328 -4.716 7.960 411 HB3 ALA 49 HB3 ALA 49 7.724 -5.370 7.105 412 H ASP 50 H ASP 50 6.655 -6.330 4.026 413 HA ASP 50 HA ASP 50 7.445 -9.119 4.496 414 HB2 ASP 50 HB2 ASP 50 5.399 -9.026 3.114 415 HB3 ASP 50 HB3 ASP 50 6.174 -7.946 1.979 416 HA PRO 51 HA PRO 51 11.109 -6.790 3.293 417 HB2 PRO 51 HB2 PRO 51 12.840 -8.156 4.726 418 HB3 PRO 51 HB3 PRO 51 11.667 -7.085 5.500 419 HG2 PRO 51 HG2 PRO 51 11.670 -10.061 5.293 420 HG3 PRO 51 HG3 PRO 51 11.161 -9.034 6.646 421 HD2 PRO 51 HD2 PRO 51 9.478 -10.217 4.761 422 HD3 PRO 51 HD3 PRO 51 9.051 -8.868 5.837 423 H GLN 52 H GLN 52 12.149 -6.928 1.540 424 HA GLN 52 HA GLN 52 13.537 -7.550 -0.088 425 HB2 GLN 52 HB2 GLN 52 14.351 -9.773 1.785 426 HB3 GLN 52 HB3 GLN 52 15.331 -9.040 0.515 427 HG2 GLN 52 HG2 GLN 52 15.175 -6.862 1.777 428 HG3 GLN 52 HG3 GLN 52 14.405 -7.720 3.079 429 HE21 GLN 52 HE21 GLN 52 15.994 -7.386 4.573 430 HE22 GLN 52 HE22 GLN 52 17.579 -8.074 4.447 431 H ALA 53 H ALA 53 10.976 -8.426 -0.393 432 HA ALA 53 HA ALA 53 10.368 -11.057 -0.829 433 HB1 ALA 53 HB1 ALA 53 8.753 -9.232 -0.963 434 HB2 ALA 53 HB2 ALA 53 8.639 -10.313 -2.354 435 HB3 ALA 53 HB3 ALA 53 9.430 -8.748 -2.516 436 H THR 54 H THR 54 10.945 -9.041 -3.729 437 HA THR 54 HA THR 54 12.555 -11.221 -4.776 438 HB THR 54 HB THR 54 11.418 -10.872 -7.025 439 HG1 THR 54 HG1 THR 54 9.294 -9.986 -6.905 440 HG21 THR 54 HG21 THR 54 9.715 -11.938 -4.756 441 HG22 THR 54 HG22 THR 54 10.929 -12.852 -5.649 442 HG23 THR 54 HG23 THR 54 9.465 -12.297 -6.463 443 H TRP 55 H TRP 55 11.372 -8.317 -6.345 444 HA TRP 55 HA TRP 55 14.045 -7.154 -6.280 445 HD1 TRP 55 HD1 TRP 55 12.775 -10.106 -9.273 446 HE1 TRP 55 HE1 TRP 55 14.845 -11.621 -9.505 447 HE3 TRP 55 HE3 TRP 55 16.343 -6.830 -7.680 448 HZ2 TRP 55 HZ2 TRP 55 17.623 -11.440 -9.064 449 HZ3 TRP 55 HZ3 TRP 55 18.676 -7.574 -7.609 450 HH2 TRP 55 HH2 TRP 55 19.306 -9.829 -8.285 451 HB2 TRP 55 HB2 TRP 55 12.414 -7.578 -8.795 452 HB3 TRP 55 HB3 TRP 55 13.851 -6.568 -8.684 453 H VAL 56 H VAL 56 14.044 -4.918 -6.488 454 HA VAL 56 HA VAL 56 11.467 -3.701 -5.895 455 HB VAL 56 HB VAL 56 13.454 -3.317 -4.407 456 HG11 VAL 56 HG11 VAL 56 14.582 -1.809 -6.744 457 HG12 VAL 56 HG12 VAL 56 15.225 -3.285 -6.021 458 HG13 VAL 56 HG13 VAL 56 15.221 -1.779 -5.103 459 HG21 VAL 56 HG21 VAL 56 12.340 -0.824 -5.711 460 HG22 VAL 56 HG22 VAL 56 13.158 -0.882 -4.149 461 HG23 VAL 56 HG23 VAL 56 11.621 -1.714 -4.366 462 H ARG 57 H ARG 57 11.017 -1.602 -6.977 463 HA ARG 57 HA ARG 57 12.076 -1.468 -9.718 464 HE ARG 57 HE ARG 57 8.279 0.578 -10.516 465 HB2 ARG 57 HB2 ARG 57 9.848 -0.725 -10.429 466 HB3 ARG 57 HB3 ARG 57 9.777 -2.336 -9.736 467 HG2 ARG 57 HG2 ARG 57 8.843 -1.481 -7.684 468 HG3 ARG 57 HG3 ARG 57 9.101 0.175 -8.217 469 HD2 ARG 57 HD2 ARG 57 7.280 -1.800 -9.584 470 HD3 ARG 57 HD3 ARG 57 6.746 -0.567 -8.438 471 HH11 ARG 57 HH11 ARG 57 5.005 -0.687 -9.897 472 HH12 ARG 57 HH12 ARG 57 4.282 0.294 -11.089 473 HH21 ARG 57 HH21 ARG 57 7.235 1.910 -12.142 474 HH22 ARG 57 HH22 ARG 57 5.556 1.768 -12.376 475 H ASP 58 H ASP 58 11.442 0.823 -10.613 476 HA ASP 58 HA ASP 58 12.417 2.786 -8.797 477 HB2 ASP 58 HB2 ASP 58 11.141 3.085 -11.540 478 HB3 ASP 58 HB3 ASP 58 11.739 4.445 -10.603 479 H VAL 59 H VAL 59 11.324 3.625 -7.251 480 HA VAL 59 HA VAL 59 8.559 3.143 -6.902 481 HB VAL 59 HB VAL 59 10.325 5.053 -5.368 482 HG11 VAL 59 HG11 VAL 59 7.735 3.711 -4.580 483 HG12 VAL 59 HG12 VAL 59 7.960 5.421 -4.949 484 HG13 VAL 59 HG13 VAL 59 8.726 4.719 -3.527 485 HG21 VAL 59 HG21 VAL 59 10.668 3.215 -3.775 486 HG22 VAL 59 HG22 VAL 59 11.310 2.823 -5.369 487 HG23 VAL 59 HG23 VAL 59 9.776 2.129 -4.840 488 H VAL 60 H VAL 60 7.024 4.180 -7.897 489 HA VAL 60 HA VAL 60 7.162 7.087 -8.142 490 HB VAL 60 HB VAL 60 7.818 6.203 -10.356 491 HG11 VAL 60 HG11 VAL 60 5.150 4.801 -10.328 492 HG12 VAL 60 HG12 VAL 60 6.740 4.034 -10.277 493 HG13 VAL 60 HG13 VAL 60 6.230 4.917 -11.717 494 HG21 VAL 60 HG21 VAL 60 5.045 7.398 -10.320 495 HG22 VAL 60 HG22 VAL 60 6.121 7.373 -11.714 496 HG23 VAL 60 HG23 VAL 60 6.563 8.289 -10.274 497 HA VAL 1 HA VAL 1 4.465 -0.533 30.319 498 HB VAL 1 HB VAL 1 2.799 -2.222 32.204 499 H1 VAL 1 H1 VAL 1 2.122 0.706 31.101 500 HG11 VAL 1 HG11 VAL 1 3.685 -3.520 30.333 501 HG12 VAL 1 HG12 VAL 1 4.505 -3.960 31.830 502 HG13 VAL 1 HG13 VAL 1 5.306 -2.912 30.662 503 HG21 VAL 1 HG21 VAL 1 4.191 -0.646 33.433 504 HG22 VAL 1 HG22 VAL 1 5.611 -1.173 32.526 505 HG23 VAL 1 HG23 VAL 1 4.801 -2.289 33.622 506 H GLY 2 H GLY 2 3.970 -0.945 28.330 507 HA2 GLY 2 HA2 GLY 2 2.792 -2.301 26.758 508 HA3 GLY 2 HA3 GLY 2 1.319 -2.025 27.692 509 H SER 3 H SER 3 1.086 -1.460 25.107 510 HA SER 3 HA SER 3 1.781 1.295 24.650 511 HG SER 3 HG SER 3 1.659 1.248 21.780 512 HB2 SER 3 HB2 SER 3 1.819 -0.481 22.854 513 HB3 SER 3 HB3 SER 3 0.066 -0.581 22.995 514 H GLU 4 H GLU 4 0.412 2.987 25.049 515 HA GLU 4 HA GLU 4 -1.929 2.471 26.561 516 HB2 GLU 4 HB2 GLU 4 -0.580 4.476 27.000 517 HB3 GLU 4 HB3 GLU 4 -1.000 5.106 25.410 518 HG2 GLU 4 HG2 GLU 4 -3.373 5.126 26.063 519 HG3 GLU 4 HG3 GLU 4 -2.922 4.563 27.668 520 H VAL 5 H VAL 5 -3.746 1.817 25.742 521 HA VAL 5 HA VAL 5 -4.461 2.384 23.022 522 HB VAL 5 HB VAL 5 -6.143 1.085 25.193 523 HG11 VAL 5 HG11 VAL 5 -7.485 1.926 23.340 524 HG12 VAL 5 HG12 VAL 5 -7.463 0.166 23.340 525 HG13 VAL 5 HG13 VAL 5 -6.467 1.059 22.190 526 HG21 VAL 5 HG21 VAL 5 -5.477 -1.059 24.187 527 HG22 VAL 5 HG22 VAL 5 -4.091 -0.173 24.817 528 HG23 VAL 5 HG23 VAL 5 -4.405 -0.199 23.084 529 H SER 6 H SER 6 -4.782 4.516 22.786 530 HA SER 6 HA SER 6 -7.126 5.619 24.035 531 HG SER 6 HG SER 6 -3.542 7.092 24.971 532 HB2 SER 6 HB2 SER 6 -5.912 7.721 24.602 533 HB3 SER 6 HB3 SER 6 -5.382 6.335 25.553 534 H ASP 7 H ASP 7 -7.201 8.055 22.998 535 HA ASP 7 HA ASP 7 -7.161 7.446 20.165 536 HB2 ASP 7 HB2 ASP 7 -8.454 9.776 21.601 537 HB3 ASP 7 HB3 ASP 7 -8.638 9.381 19.894 538 H LYS 8 H LYS 8 -5.413 7.875 19.164 539 HA LYS 8 HA LYS 8 -4.243 10.423 18.760 540 HB2 LYS 8 HB2 LYS 8 -3.349 9.905 21.091 541 HB3 LYS 8 HB3 LYS 8 -2.645 8.438 20.432 542 HG2 LYS 8 HG2 LYS 8 -1.306 9.848 18.877 543 HG3 LYS 8 HG3 LYS 8 -1.958 11.278 19.673 544 HD2 LYS 8 HD2 LYS 8 -0.329 9.111 20.996 545 HD3 LYS 8 HD3 LYS 8 0.285 10.686 20.499 546 HE2 LYS 8 HE2 LYS 8 -1.285 11.757 22.064 547 HE3 LYS 8 HE3 LYS 8 -1.850 10.165 22.569 548 HZ1 LYS 8 HZ1 LYS 8 0.918 11.194 22.870 549 HZ2 LYS 8 HZ2 LYS 8 0.415 9.681 23.363 550 HZ3 LYS 8 HZ3 LYS 8 -0.196 11.052 24.113 551 H ARG 9 H ARG 9 -2.689 10.229 17.175 552 HA ARG 9 HA ARG 9 -2.991 8.077 15.422 553 HE ARG 9 HE ARG 9 1.385 11.966 16.174 554 HB2 ARG 9 HB2 ARG 9 -1.085 9.099 14.220 555 HB3 ARG 9 HB3 ARG 9 -2.345 10.254 14.618 556 HG2 ARG 9 HG2 ARG 9 -1.040 11.020 16.501 557 HG3 ARG 9 HG3 ARG 9 0.241 9.885 16.093 558 HD2 ARG 9 HD2 ARG 9 0.377 10.904 13.850 559 HD3 ARG 9 HD3 ARG 9 -0.771 12.137 14.381 560 HH11 ARG 9 HH11 ARG 9 0.624 13.248 12.965 561 HH12 ARG 9 HH12 ARG 9 1.869 14.406 12.951 562 HH21 ARG 9 HH21 ARG 9 3.130 13.573 16.148 563 HH22 ARG 9 HH22 ARG 9 3.329 14.587 14.811 564 H THR 10 H THR 10 -2.298 6.066 15.804 565 HA THR 10 HA THR 10 -0.169 5.691 17.704 566 HB THR 10 HB THR 10 -0.947 3.285 17.619 567 HG1 THR 10 HG1 THR 10 -2.787 2.833 16.553 568 HG21 THR 10 HG21 THR 10 -2.981 3.729 18.926 569 HG22 THR 10 HG22 THR 10 -3.006 5.384 18.319 570 HG23 THR 10 HG23 THR 10 -1.693 4.856 19.362 571 H CYS 11 H CYS 11 1.669 4.464 17.289 572 HA CYS 11 HA CYS 11 2.136 3.727 14.487 573 HB2 CYS 11 HB2 CYS 11 4.105 5.213 16.257 574 HB3 CYS 11 HB3 CYS 11 4.378 4.672 14.620 575 H VAL 12 H VAL 12 3.568 2.012 14.284 576 HA VAL 12 HA VAL 12 4.904 0.905 16.650 577 HB VAL 12 HB VAL 12 2.950 -0.759 14.975 578 HG11 VAL 12 HG11 VAL 12 4.921 -1.759 17.042 579 HG12 VAL 12 HG12 VAL 12 4.999 -2.083 15.311 580 HG13 VAL 12 HG13 VAL 12 3.666 -2.728 16.275 581 HG21 VAL 12 HG21 VAL 12 1.921 -1.279 17.125 582 HG22 VAL 12 HG22 VAL 12 1.992 0.469 16.874 583 HG23 VAL 12 HG23 VAL 12 3.146 -0.316 17.946 584 H SER 13 H SER 13 6.754 -0.400 16.194 585 HA SER 13 HA SER 13 7.680 -0.170 13.435 586 HG SER 13 HG SER 13 8.712 0.226 16.929 587 HB2 SER 13 HB2 SER 13 9.974 -0.248 14.439 588 HB3 SER 13 HB3 SER 13 9.035 1.156 14.952 589 H LEU 14 H LEU 14 8.656 -1.931 12.490 590 HA LEU 14 HA LEU 14 8.440 -4.507 13.901 591 HG LEU 14 HG LEU 14 5.912 -3.474 12.636 592 HB2 LEU 14 HB2 LEU 14 7.782 -3.859 11.044 593 HB3 LEU 14 HB3 LEU 14 7.936 -5.488 11.667 594 HD11 LEU 14 HD11 LEU 14 4.298 -4.843 11.401 595 HD12 LEU 14 HD12 LEU 14 5.616 -5.842 10.786 596 HD13 LEU 14 HD13 LEU 14 5.509 -4.146 10.327 597 HD21 LEU 14 HD21 LEU 14 4.931 -5.452 13.738 598 HD22 LEU 14 HD22 LEU 14 6.546 -5.094 14.323 599 HD23 LEU 14 HD23 LEU 14 6.297 -6.419 13.185 600 H THR 15 H THR 15 10.253 -5.567 14.030 601 HA THR 15 HA THR 15 12.449 -4.883 12.235 602 HB THR 15 HB THR 15 13.823 -6.109 13.968 603 HG1 THR 15 HG1 THR 15 12.010 -7.276 14.770 604 HG21 THR 15 HG21 THR 15 12.182 -3.779 14.985 605 HG22 THR 15 HG22 THR 15 13.652 -3.658 14.022 606 HG23 THR 15 HG23 THR 15 13.719 -4.320 15.656 607 H THR 16 H THR 16 12.576 -6.253 10.551 608 HA THR 16 HA THR 16 12.845 -9.020 10.962 609 HB THR 16 HB THR 16 10.430 -9.054 11.098 610 HG1 THR 16 HG1 THR 16 9.967 -10.455 9.482 611 HG21 THR 16 HG21 THR 16 8.962 -8.290 9.263 612 HG22 THR 16 HG22 THR 16 10.370 -7.652 8.412 613 HG23 THR 16 HG23 THR 16 9.884 -6.954 9.955 614 H GLN 17 H GLN 17 14.356 -9.647 9.625 615 HA GLN 17 HA GLN 17 15.998 -9.407 8.116 616 HB2 GLN 17 HB2 GLN 17 14.475 -11.153 7.280 617 HB3 GLN 17 HB3 GLN 17 13.603 -9.948 6.345 618 HG2 GLN 17 HG2 GLN 17 15.098 -11.273 4.950 619 HG3 GLN 17 HG3 GLN 17 15.580 -9.578 4.971 620 HE21 GLN 17 HE21 GLN 17 16.394 -12.793 5.978 621 HE22 GLN 17 HE22 GLN 17 18.017 -12.441 6.443 622 H ARG 18 H ARG 18 16.483 -7.200 8.476 623 HA ARG 18 HA ARG 18 15.615 -5.572 6.230 624 HE ARG 18 HE ARG 18 14.173 -1.058 6.731 625 HB2 ARG 18 HB2 ARG 18 14.316 -5.032 8.103 626 HB3 ARG 18 HB3 ARG 18 15.739 -4.717 9.109 627 HG2 ARG 18 HG2 ARG 18 14.682 -2.649 8.409 628 HG3 ARG 18 HG3 ARG 18 16.255 -2.803 7.617 629 HD2 ARG 18 HD2 ARG 18 15.194 -3.532 5.580 630 HD3 ARG 18 HD3 ARG 18 13.616 -3.552 6.368 631 HH11 ARG 18 HH11 ARG 18 14.943 -2.903 3.829 632 HH12 ARG 18 HH12 ARG 18 14.853 -1.555 2.791 633 HH21 ARG 18 HH21 ARG 18 14.001 0.724 5.351 634 HH22 ARG 18 HH22 ARG 18 14.268 0.581 3.670 635 H LEU 19 H LEU 19 17.229 -5.225 5.053 636 HA LEU 19 HA LEU 19 19.900 -5.124 5.939 637 HG LEU 19 HG LEU 19 17.459 -5.681 3.283 638 HB2 LEU 19 HB2 LEU 19 20.185 -4.377 3.419 639 HB3 LEU 19 HB3 LEU 19 19.830 -6.031 3.845 640 HD11 LEU 19 HD11 LEU 19 18.249 -2.917 2.414 641 HD12 LEU 19 HD12 LEU 19 17.221 -3.353 3.784 642 HD13 LEU 19 HD13 LEU 19 16.679 -3.715 2.164 643 HD21 LEU 19 HD21 LEU 19 19.342 -4.869 1.080 644 HD22 LEU 19 HD22 LEU 19 17.701 -5.486 0.879 645 HD23 LEU 19 HD23 LEU 19 18.947 -6.519 1.579 646 HA PRO 20 HA PRO 20 20.751 -0.940 6.952 647 HB2 PRO 20 HB2 PRO 20 22.904 -0.965 4.909 648 HB3 PRO 20 HB3 PRO 20 22.981 -0.541 6.621 649 HG2 PRO 20 HG2 PRO 20 23.915 -2.872 5.747 650 HG3 PRO 20 HG3 PRO 20 23.071 -2.755 7.297 651 HD2 PRO 20 HD2 PRO 20 22.111 -3.849 4.698 652 HD3 PRO 20 HD3 PRO 20 21.747 -4.344 6.371 653 H VAL 21 H VAL 21 20.013 0.897 6.435 654 HA VAL 21 HA VAL 21 19.708 1.768 3.648 655 HB VAL 21 HB VAL 21 17.591 2.077 5.828 656 HG11 VAL 21 HG11 VAL 21 17.495 2.833 2.922 657 HG12 VAL 21 HG12 VAL 21 17.628 3.957 4.275 658 HG13 VAL 21 HG13 VAL 21 16.176 2.974 4.081 659 HG21 VAL 21 HG21 VAL 21 16.246 0.570 4.488 660 HG22 VAL 21 HG22 VAL 21 17.744 -0.204 5.005 661 HG23 VAL 21 HG23 VAL 21 17.584 0.381 3.353 662 H SER 22 H SER 22 20.182 3.966 3.368 663 HA SER 22 HA SER 22 21.522 5.169 5.644 664 HG SER 22 HG SER 22 22.561 4.000 2.960 665 HB2 SER 22 HB2 SER 22 21.556 5.933 2.730 666 HB3 SER 22 HB3 SER 22 22.577 6.629 3.994 667 H ARG 23 H ARG 23 18.656 5.742 3.727 668 HA ARG 23 HA ARG 23 18.267 8.193 5.256 669 HE ARG 23 HE ARG 23 18.794 8.496 0.613 670 HB2 ARG 23 HB2 ARG 23 17.748 7.826 2.326 671 HB3 ARG 23 HB3 ARG 23 17.096 9.172 3.265 672 HG2 ARG 23 HG2 ARG 23 19.387 9.787 3.923 673 HG3 ARG 23 HG3 ARG 23 20.002 8.487 2.913 674 HD2 ARG 23 HD2 ARG 23 18.317 10.738 1.986 675 HD3 ARG 23 HD3 ARG 23 20.086 10.747 1.898 676 HH11 ARG 23 HH11 ARG 23 19.993 11.789 0.095 677 HH12 ARG 23 HH12 ARG 23 20.141 11.591 -1.595 678 HH21 ARG 23 HH21 ARG 23 19.046 8.263 -1.709 679 HH22 ARG 23 HH22 ARG 23 19.596 9.599 -2.610 680 H ILE 24 H ILE 24 16.027 8.846 5.568 681 HA ILE 24 HA ILE 24 14.361 6.469 5.945 682 HB ILE 24 HB ILE 24 14.166 9.198 7.237 683 HG12 ILE 24 HG12 ILE 24 16.225 8.125 7.974 684 HG13 ILE 24 HG13 ILE 24 15.059 8.133 9.288 685 HG21 ILE 24 HG21 ILE 24 12.731 6.630 7.913 686 HG22 ILE 24 HG22 ILE 24 12.019 8.081 7.204 687 HG23 ILE 24 HG23 ILE 24 12.641 8.120 8.854 688 HD11 ILE 24 HD11 ILE 24 15.737 5.785 7.532 689 HD12 ILE 24 HD12 ILE 24 14.561 5.780 8.850 690 HD13 ILE 24 HD13 ILE 24 16.271 6.040 9.192 691 H LYS 25 H LYS 25 12.449 6.333 4.919 692 HA LYS 25 HA LYS 25 11.610 8.659 3.296 693 HB2 LYS 25 HB2 LYS 25 10.691 5.791 2.960 694 HB3 LYS 25 HB3 LYS 25 10.251 7.148 1.990 695 HG2 LYS 25 HG2 LYS 25 13.004 5.946 2.141 696 HG3 LYS 25 HG3 LYS 25 11.835 5.741 0.840 697 HD2 LYS 25 HD2 LYS 25 11.930 8.350 0.736 698 HD3 LYS 25 HD3 LYS 25 13.452 8.121 1.601 699 HE2 LYS 25 HE2 LYS 25 12.719 6.897 -1.063 700 HE3 LYS 25 HE3 LYS 25 13.857 8.210 -0.803 701 HZ1 LYS 25 HZ1 LYS 25 15.258 6.689 0.441 702 HZ2 LYS 25 HZ2 LYS 25 14.986 6.106 -1.108 703 HZ3 LYS 25 HZ3 LYS 25 14.179 5.423 0.199 704 H THR 26 H THR 26 9.317 9.103 3.163 705 HA THR 26 HA THR 26 7.580 7.990 5.297 706 HB THR 26 HB THR 26 7.880 10.898 4.467 707 HG1 THR 26 HG1 THR 26 9.125 9.368 6.330 708 HG21 THR 26 HG21 THR 26 6.224 9.608 6.656 709 HG22 THR 26 HG22 THR 26 5.582 10.264 5.148 710 HG23 THR 26 HG23 THR 26 6.334 11.336 6.329 711 H TYR 27 H TYR 27 5.830 7.206 4.444 712 HA TYR 27 HA TYR 27 4.904 8.277 1.887 713 HD1 TYR 27 HD1 TYR 27 4.894 6.826 -0.617 714 HD2 TYR 27 HD2 TYR 27 7.564 5.479 2.368 715 HE1 TYR 27 HE1 TYR 27 6.707 6.940 -2.236 716 HE2 TYR 27 HE2 TYR 27 9.431 5.571 0.767 717 HH TYR 27 HH TYR 27 9.848 5.568 -1.596 718 HB2 TYR 27 HB2 TYR 27 5.168 5.388 2.675 719 HB3 TYR 27 HB3 TYR 27 4.074 5.923 1.398 720 H THR 28 H THR 28 2.922 8.796 1.763 721 HA THR 28 HA THR 28 1.291 8.100 4.084 722 HB THR 28 HB THR 28 0.136 10.293 3.883 723 HG1 THR 28 HG1 THR 28 2.101 11.130 2.030 724 HG21 THR 28 HG21 THR 28 3.133 10.623 3.897 725 HG22 THR 28 HG22 THR 28 2.185 10.149 5.294 726 HG23 THR 28 HG23 THR 28 1.963 11.749 4.584 727 H ILE 29 H ILE 29 -0.659 7.260 3.747 728 HA ILE 29 HA ILE 29 -1.859 7.481 1.079 729 HB ILE 29 HB ILE 29 -1.671 4.978 2.778 730 HG12 ILE 29 HG12 ILE 29 -0.723 5.624 -0.021 731 HG13 ILE 29 HG13 ILE 29 0.284 5.435 1.405 732 HG21 ILE 29 HG21 ILE 29 -3.055 3.840 1.114 733 HG22 ILE 29 HG22 ILE 29 -3.317 5.367 0.268 734 HG23 ILE 29 HG23 ILE 29 -3.946 5.140 1.902 735 HD11 ILE 29 HD11 ILE 29 0.412 3.489 0.016 736 HD12 ILE 29 HD12 ILE 29 -1.348 3.318 0.064 737 HD13 ILE 29 HD13 ILE 29 -0.421 3.101 1.539 738 H THR 30 H THR 30 -3.869 8.233 1.105 739 HA THR 30 HA THR 30 -5.255 8.297 3.665 740 HB THR 30 HB THR 30 -4.838 10.526 2.665 741 HG1 THR 30 HG1 THR 30 -6.877 11.305 2.982 742 HG21 THR 30 HG21 THR 30 -6.545 9.543 0.388 743 HG22 THR 30 HG22 THR 30 -4.831 9.946 0.290 744 HG23 THR 30 HG23 THR 30 -6.021 11.219 0.599 745 H GLU 31 H GLU 31 -6.927 7.053 3.940 746 HA GLU 31 HA GLU 31 -8.560 6.270 1.668 747 HB2 GLU 31 HB2 GLU 31 -6.920 4.466 1.894 748 HB3 GLU 31 HB3 GLU 31 -7.346 4.281 3.591 749 HG2 GLU 31 HG2 GLU 31 -8.373 2.570 2.169 750 HG3 GLU 31 HG3 GLU 31 -9.567 3.572 3.001 751 H GLY 32 H GLY 32 -10.615 6.521 2.164 752 HA2 GLY 32 HA2 GLY 32 -12.566 6.744 3.393 753 HA3 GLY 32 HA3 GLY 32 -11.772 5.842 4.681 754 H SER 33 H SER 33 -10.362 6.982 6.030 755 HA SER 33 HA SER 33 -10.222 9.843 6.000 756 HG SER 33 HG SER 33 -12.610 9.499 6.090 757 HB2 SER 33 HB2 SER 33 -11.651 8.500 8.296 758 HB3 SER 33 HB3 SER 33 -11.110 10.172 8.284 759 H LEU 34 H LEU 34 -8.783 6.913 6.564 760 HA LEU 34 HA LEU 34 -7.165 8.088 8.667 761 HG LEU 34 HG LEU 34 -6.316 4.828 6.987 762 HB2 LEU 34 HB2 LEU 34 -6.237 5.910 9.211 763 HB3 LEU 34 HB3 LEU 34 -7.984 5.810 9.282 764 HD11 LEU 34 HD11 LEU 34 -6.616 2.586 8.006 765 HD12 LEU 34 HD12 LEU 34 -7.399 3.335 9.394 766 HD13 LEU 34 HD13 LEU 34 -5.697 3.657 9.064 767 HD21 LEU 34 HD21 LEU 34 -8.721 5.219 6.543 768 HD22 LEU 34 HD22 LEU 34 -9.111 4.099 7.856 769 HD23 LEU 34 HD23 LEU 34 -8.251 3.529 6.428 770 H ARG 35 H ARG 35 -5.214 8.466 8.448 771 HA ARG 35 HA ARG 35 -4.005 8.140 5.777 772 HE ARG 35 HE ARG 35 -2.841 10.216 4.124 773 HB2 ARG 35 HB2 ARG 35 -2.999 9.770 8.112 774 HB3 ARG 35 HB3 ARG 35 -2.325 9.760 6.495 775 HG2 ARG 35 HG2 ARG 35 -5.053 10.732 7.250 776 HG3 ARG 35 HG3 ARG 35 -3.645 11.766 6.970 777 HD2 ARG 35 HD2 ARG 35 -4.985 9.950 4.978 778 HD3 ARG 35 HD3 ARG 35 -5.181 11.691 5.064 779 HH11 ARG 35 HH11 ARG 35 -4.293 13.388 4.826 780 HH12 ARG 35 HH12 ARG 35 -3.340 14.232 3.701 781 HH21 ARG 35 HH21 ARG 35 -1.531 11.428 2.504 782 HH22 ARG 35 HH22 ARG 35 -1.760 13.101 2.366 783 H ALA 36 H ALA 36 -2.669 6.547 5.561 784 HA ALA 36 HA ALA 36 -1.463 5.394 7.959 785 HB1 ALA 36 HB1 ALA 36 -2.757 3.849 6.588 786 HB2 ALA 36 HB2 ALA 36 -1.040 3.433 6.521 787 HB3 ALA 36 HB3 ALA 36 -1.800 4.290 5.177 788 H VAL 37 H VAL 37 0.530 5.971 8.337 789 HA VAL 37 HA VAL 37 2.134 6.921 6.082 790 HB VAL 37 HB VAL 37 2.422 7.678 9.004 791 HG11 VAL 37 HG11 VAL 37 4.079 9.294 8.207 792 HG12 VAL 37 HG12 VAL 37 3.907 8.658 6.569 793 HG13 VAL 37 HG13 VAL 37 4.572 7.639 7.845 794 HG21 VAL 37 HG21 VAL 37 0.488 8.748 8.053 795 HG22 VAL 37 HG22 VAL 37 1.437 9.127 6.620 796 HG23 VAL 37 HG23 VAL 37 1.818 9.939 8.142 797 H ILE 38 H ILE 38 3.843 5.891 5.582 798 HA ILE 38 HA ILE 38 4.839 3.802 7.336 799 HB ILE 38 HB ILE 38 4.714 4.159 4.355 800 HG12 ILE 38 HG12 ILE 38 3.696 1.961 6.136 801 HG13 ILE 38 HG13 ILE 38 2.732 3.303 5.523 802 HG21 ILE 38 HG21 ILE 38 6.209 1.992 5.827 803 HG22 ILE 38 HG22 ILE 38 6.917 3.293 4.859 804 HG23 ILE 38 HG23 ILE 38 5.889 2.081 4.087 805 HD11 ILE 38 HD11 ILE 38 2.941 2.621 3.383 806 HD12 ILE 38 HD12 ILE 38 2.478 1.186 4.276 807 HD13 ILE 38 HD13 ILE 38 4.166 1.370 3.723 808 H PHE 39 H PHE 39 6.739 4.306 8.250 809 HA PHE 39 HA PHE 39 8.470 6.197 6.867 810 HD1 PHE 39 HD1 PHE 39 6.223 6.166 10.199 811 HD2 PHE 39 HD2 PHE 39 9.346 8.597 8.637 812 HE1 PHE 39 HE1 PHE 39 4.972 8.182 10.840 813 HE2 PHE 39 HE2 PHE 39 8.095 10.615 9.265 814 HZ PHE 39 HZ PHE 39 5.909 10.412 10.371 815 HB2 PHE 39 HB2 PHE 39 8.393 5.273 9.744 816 HB3 PHE 39 HB3 PHE 39 9.707 6.244 9.088 817 H ILE 40 H ILE 40 9.960 5.350 5.761 818 HA ILE 40 HA ILE 40 10.635 2.541 6.125 819 HB ILE 40 HB ILE 40 11.574 4.526 4.051 820 HG12 ILE 40 HG12 ILE 40 9.188 4.083 3.747 821 HG13 ILE 40 HG13 ILE 40 10.119 3.287 2.484 822 HG21 ILE 40 HG21 ILE 40 12.382 2.585 2.797 823 HG22 ILE 40 HG22 ILE 40 12.005 1.565 4.184 824 HG23 ILE 40 HG23 ILE 40 13.222 2.831 4.328 825 HD11 ILE 40 HD11 ILE 40 9.834 1.148 3.575 826 HD12 ILE 40 HD12 ILE 40 8.286 1.936 3.292 827 HD13 ILE 40 HD13 ILE 40 8.972 1.935 4.908 828 H THR 41 H THR 41 12.143 2.085 7.518 829 HA THR 41 HA THR 41 14.427 3.872 7.741 830 HB THR 41 HB THR 41 13.049 4.236 9.697 831 HG1 THR 41 HG1 THR 41 14.674 4.149 10.989 832 HG21 THR 41 HG21 THR 41 11.734 2.173 9.679 833 HG22 THR 41 HG22 THR 41 12.465 2.423 11.264 834 HG23 THR 41 HG23 THR 41 13.158 1.247 10.148 835 H LYS 42 H LYS 42 16.262 2.680 8.838 836 HA LYS 42 HA LYS 42 16.702 0.190 7.437 837 HB2 LYS 42 HB2 LYS 42 18.931 0.295 8.451 838 HB3 LYS 42 HB3 LYS 42 18.540 1.739 7.546 839 HG2 LYS 42 HG2 LYS 42 18.346 3.069 9.409 840 HG3 LYS 42 HG3 LYS 42 17.996 1.710 10.472 841 HD2 LYS 42 HD2 LYS 42 20.659 2.185 9.164 842 HD3 LYS 42 HD3 LYS 42 20.253 2.716 10.804 843 HE2 LYS 42 HE2 LYS 42 19.688 0.399 11.373 844 HE3 LYS 42 HE3 LYS 42 20.184 -0.133 9.799 845 HZ1 LYS 42 HZ1 LYS 42 21.974 -0.480 11.351 846 HZ2 LYS 42 HZ2 LYS 42 21.990 1.146 11.801 847 HZ3 LYS 42 HZ3 LYS 42 22.435 0.685 10.246 848 H ARG 43 H ARG 43 15.486 1.191 10.412 849 HA ARG 43 HA ARG 43 16.408 -1.144 11.860 850 HE ARG 43 HE ARG 43 14.969 -1.835 16.222 851 HB2 ARG 43 HB2 ARG 43 16.279 1.214 12.857 852 HB3 ARG 43 HB3 ARG 43 14.540 1.088 12.776 853 HG2 ARG 43 HG2 ARG 43 16.151 -0.892 14.367 854 HG3 ARG 43 HG3 ARG 43 15.768 0.691 15.026 855 HD2 ARG 43 HD2 ARG 43 13.395 0.210 14.830 856 HD3 ARG 43 HD3 ARG 43 13.752 -1.331 14.051 857 HH11 ARG 43 HH11 ARG 43 12.095 0.215 16.133 858 HH12 ARG 43 HH12 ARG 43 11.518 -0.269 17.649 859 HH21 ARG 43 HH21 ARG 43 14.181 -2.511 18.329 860 HH22 ARG 43 HH22 ARG 43 12.737 -1.862 18.930 861 H GLY 44 H GLY 44 14.274 -0.662 9.611 862 HA2 GLY 44 HA2 GLY 44 12.956 -2.855 9.163 863 HA3 GLY 44 HA3 GLY 44 12.281 -2.537 10.743 864 H LEU 45 H LEU 45 10.314 -2.331 10.239 865 HA LEU 45 HA LEU 45 9.442 -0.175 8.364 866 HG LEU 45 HG LEU 45 6.383 -0.690 8.920 867 HB2 LEU 45 HB2 LEU 45 8.569 -2.410 7.752 868 HB3 LEU 45 HB3 LEU 45 7.911 -2.606 9.359 869 HD11 LEU 45 HD11 LEU 45 7.436 -0.879 6.126 870 HD12 LEU 45 HD12 LEU 45 7.613 0.482 7.236 871 HD13 LEU 45 HD13 LEU 45 6.015 0.036 6.625 872 HD21 LEU 45 HD21 LEU 45 4.836 -1.884 7.434 873 HD22 LEU 45 HD22 LEU 45 5.521 -2.972 8.631 874 HD23 LEU 45 HD23 LEU 45 6.117 -2.984 6.973 875 H LYS 46 H LYS 46 8.607 1.587 9.291 876 HA LYS 46 HA LYS 46 7.547 1.325 12.020 877 HB2 LYS 46 HB2 LYS 46 9.683 2.645 11.663 878 HB3 LYS 46 HB3 LYS 46 8.801 3.730 10.636 879 HG2 LYS 46 HG2 LYS 46 8.469 3.367 13.638 880 HG3 LYS 46 HG3 LYS 46 9.229 4.718 12.805 881 HD2 LYS 46 HD2 LYS 46 6.952 5.148 11.774 882 HD3 LYS 46 HD3 LYS 46 6.321 3.984 12.943 883 HE2 LYS 46 HE2 LYS 46 7.773 6.566 13.564 884 HE3 LYS 46 HE3 LYS 46 6.063 6.246 13.797 885 HZ1 LYS 46 HZ1 LYS 46 8.335 5.032 15.300 886 HZ2 LYS 46 HZ2 LYS 46 6.720 4.565 15.530 887 HZ3 LYS 46 HZ3 LYS 46 7.220 6.127 15.852 888 H VAL 47 H VAL 47 5.389 1.629 12.028 889 HA VAL 47 HA VAL 47 4.176 2.911 9.680 890 HB VAL 47 HB VAL 47 3.770 0.465 9.841 891 HG11 VAL 47 HG11 VAL 47 2.409 1.190 12.412 892 HG12 VAL 47 HG12 VAL 47 3.781 0.120 12.214 893 HG13 VAL 47 HG13 VAL 47 2.176 -0.361 11.634 894 HG21 VAL 47 HG21 VAL 47 2.164 1.872 8.682 895 HG22 VAL 47 HG22 VAL 47 1.322 2.200 10.196 896 HG23 VAL 47 HG23 VAL 47 1.322 0.571 9.519 897 H CYS 48 H CYS 48 2.615 4.411 10.007 898 HA CYS 48 HA CYS 48 1.719 4.884 12.748 899 HB2 CYS 48 HB2 CYS 48 2.721 6.913 10.780 900 HB3 CYS 48 HB3 CYS 48 1.682 7.352 12.133 901 H ALA 49 H ALA 49 -0.338 5.332 12.995 902 HA ALA 49 HA ALA 49 -1.971 5.573 10.541 903 HB1 ALA 49 HB1 ALA 49 -3.824 4.698 11.879 904 HB2 ALA 49 HB2 ALA 49 -2.762 4.591 13.284 905 HB3 ALA 49 HB3 ALA 49 -2.460 3.577 11.878 906 H ASP 50 H ASP 50 -2.818 7.539 10.305 907 HA ASP 50 HA ASP 50 -3.299 9.213 12.682 908 HB2 ASP 50 HB2 ASP 50 -1.416 10.055 11.331 909 HB3 ASP 50 HB3 ASP 50 -2.438 10.099 9.908 910 HA PRO 51 HA PRO 51 -7.255 8.692 10.579 911 HB2 PRO 51 HB2 PRO 51 -8.702 8.251 12.699 912 HB3 PRO 51 HB3 PRO 51 -7.486 7.080 12.178 913 HG2 PRO 51 HG2 PRO 51 -7.426 8.951 14.485 914 HG3 PRO 51 HG3 PRO 51 -6.677 7.358 14.310 915 HD2 PRO 51 HD2 PRO 51 -5.454 9.920 13.917 916 HD3 PRO 51 HD3 PRO 51 -4.740 8.310 13.665 917 H GLN 52 H GLN 52 -8.453 10.178 9.789 918 HA GLN 52 HA GLN 52 -10.128 11.620 9.578 919 HB2 GLN 52 HB2 GLN 52 -10.348 11.511 12.569 920 HB3 GLN 52 HB3 GLN 52 -11.599 12.006 11.434 921 HG2 GLN 52 HG2 GLN 52 -11.552 9.734 10.451 922 HG3 GLN 52 HG3 GLN 52 -10.377 9.256 11.641 923 HE21 GLN 52 HE21 GLN 52 -11.696 7.723 12.649 924 HE22 GLN 52 HE22 GLN 52 -13.109 8.153 13.545 925 H ALA 53 H ALA 53 -7.314 12.609 10.425 926 HA ALA 53 HA ALA 53 -7.897 15.259 11.428 927 HB1 ALA 53 HB1 ALA 53 -5.545 15.690 11.128 928 HB2 ALA 53 HB2 ALA 53 -5.364 14.186 10.243 929 HB3 ALA 53 HB3 ALA 53 -5.753 14.140 11.976 930 H THR 54 H THR 54 -6.652 13.885 8.427 931 HA THR 54 HA THR 54 -7.222 16.417 7.088 932 HB THR 54 HB THR 54 -5.876 15.482 5.221 933 HG1 THR 54 HG1 THR 54 -6.370 13.242 6.250 934 HG21 THR 54 HG21 THR 54 -4.755 16.850 6.923 935 HG22 THR 54 HG22 THR 54 -3.688 15.561 6.362 936 HG23 THR 54 HG23 THR 54 -4.511 15.408 7.912 937 H TRP 55 H TRP 55 -7.939 16.140 4.841 938 HA TRP 55 HA TRP 55 -10.302 14.486 4.747 939 HD1 TRP 55 HD1 TRP 55 -9.443 18.453 4.629 940 HE1 TRP 55 HE1 TRP 55 -11.506 19.598 5.660 941 HE3 TRP 55 HE3 TRP 55 -13.048 15.125 3.189 942 HZ2 TRP 55 HZ2 TRP 55 -14.278 19.171 5.831 943 HZ3 TRP 55 HZ3 TRP 55 -15.382 15.571 3.824 944 HH2 TRP 55 HH2 TRP 55 -15.982 17.549 5.120 945 HB2 TRP 55 HB2 TRP 55 -9.206 16.514 2.805 946 HB3 TRP 55 HB3 TRP 55 -10.633 15.546 2.449 947 H VAL 56 H VAL 56 -10.655 13.638 2.223 948 HA VAL 56 HA VAL 56 -8.408 11.847 1.704 949 HB VAL 56 HB VAL 56 -9.977 10.784 3.302 950 HG11 VAL 56 HG11 VAL 56 -12.027 11.862 2.691 951 HG12 VAL 56 HG12 VAL 56 -12.221 10.110 2.586 952 HG13 VAL 56 HG13 VAL 56 -12.012 11.065 1.116 953 HG21 VAL 56 HG21 VAL 56 -9.965 9.502 0.565 954 HG22 VAL 56 HG22 VAL 56 -10.320 8.666 2.076 955 HG23 VAL 56 HG23 VAL 56 -8.716 9.344 1.798 956 H ARG 57 H ARG 57 -8.503 10.909 -0.405 957 HA ARG 57 HA ARG 57 -10.547 11.959 -2.224 958 HE ARG 57 HE ARG 57 -7.918 10.732 -5.376 959 HB2 ARG 57 HB2 ARG 57 -8.897 11.905 -4.057 960 HB3 ARG 57 HB3 ARG 57 -8.385 13.021 -2.800 961 HG2 ARG 57 HG2 ARG 57 -6.657 11.613 -2.096 962 HG3 ARG 57 HG3 ARG 57 -7.373 10.199 -2.863 963 HD2 ARG 57 HD2 ARG 57 -6.253 12.567 -4.380 964 HD3 ARG 57 HD3 ARG 57 -5.355 11.079 -4.061 965 HH11 ARG 57 HH11 ARG 57 -4.462 11.242 -6.004 966 HH12 ARG 57 HH12 ARG 57 -4.485 10.398 -7.482 967 HH21 ARG 57 HH21 ARG 57 -7.927 9.593 -7.356 968 HH22 ARG 57 HH22 ARG 57 -6.523 9.411 -8.300 969 H ASP 58 H ASP 58 -10.795 10.475 -4.100 970 HA ASP 58 HA ASP 58 -10.677 7.731 -3.253 971 HB2 ASP 58 HB2 ASP 58 -12.611 8.498 -4.555 972 HB3 ASP 58 HB3 ASP 58 -11.559 8.995 -5.869 973 H VAL 59 H VAL 59 -8.671 7.021 -3.162 974 HA VAL 59 HA VAL 59 -6.600 8.034 -4.785 975 HB VAL 59 HB VAL 59 -6.512 5.648 -2.920 976 HG11 VAL 59 HG11 VAL 59 -4.704 5.550 -4.573 977 HG12 VAL 59 HG12 VAL 59 -4.073 5.937 -2.971 978 HG13 VAL 59 HG13 VAL 59 -4.248 7.208 -4.182 979 HG21 VAL 59 HG21 VAL 59 -7.072 7.742 -1.804 980 HG22 VAL 59 HG22 VAL 59 -5.669 8.516 -2.538 981 HG23 VAL 59 HG23 VAL 59 -5.446 7.215 -1.370 982 H VAL 60 H VAL 60 -6.556 7.708 -6.784 983 HA VAL 60 HA VAL 60 -5.819 5.209 -7.754 984 HB VAL 60 HB VAL 60 -8.253 4.883 -7.941 985 HG11 VAL 60 HG11 VAL 60 -9.671 6.273 -9.371 986 HG12 VAL 60 HG12 VAL 60 -8.328 7.401 -9.576 987 HG13 VAL 60 HG13 VAL 60 -9.033 7.152 -7.980 988 HG21 VAL 60 HG21 VAL 60 -8.435 4.436 -10.358 989 HG22 VAL 60 HG22 VAL 60 -6.896 3.901 -9.682 990 HG23 VAL 60 HG23 VAL 60 -6.977 5.392 -10.620 Start of MODEL 13 1 HA VAL 1 HA VAL 1 3.749 -10.048 19.076 2 HB VAL 1 HB VAL 1 2.916 -10.044 16.139 3 H1 VAL 1 H1 VAL 1 1.987 -8.204 17.617 4 H2 VAL 1 H2 VAL 1 2.495 -8.038 19.203 5 H3 VAL 1 H3 VAL 1 1.451 -9.311 18.783 6 HG11 VAL 1 HG11 VAL 1 4.708 -11.958 17.619 7 HG12 VAL 1 HG12 VAL 1 5.225 -10.761 16.433 8 HG13 VAL 1 HG13 VAL 1 4.199 -12.106 15.936 9 HG21 VAL 1 HG21 VAL 1 2.239 -11.992 18.340 10 HG22 VAL 1 HG22 VAL 1 1.868 -12.213 16.635 11 HG23 VAL 1 HG23 VAL 1 1.118 -10.894 17.530 12 H GLY 2 H GLY 2 5.890 -9.580 18.907 13 HA2 GLY 2 HA2 GLY 2 7.306 -8.338 17.029 14 HA3 GLY 2 HA3 GLY 2 6.538 -6.981 17.846 15 H SER 3 H SER 3 9.083 -9.193 17.885 16 HA SER 3 HA SER 3 9.793 -8.660 20.659 17 HG SER 3 HG SER 3 9.353 -11.007 20.566 18 HB2 SER 3 HB2 SER 3 11.187 -10.305 18.529 19 HB3 SER 3 HB3 SER 3 11.554 -10.281 20.256 20 H GLU 4 H GLU 4 12.497 -8.419 20.607 21 HA GLU 4 HA GLU 4 12.990 -5.809 19.764 22 HB2 GLU 4 HB2 GLU 4 14.901 -8.030 20.533 23 HB3 GLU 4 HB3 GLU 4 15.429 -6.396 20.182 24 HG2 GLU 4 HG2 GLU 4 15.288 -6.777 22.583 25 HG3 GLU 4 HG3 GLU 4 14.134 -5.554 22.075 26 H VAL 5 H VAL 5 13.509 -8.869 18.211 27 HA VAL 5 HA VAL 5 13.458 -7.619 15.693 28 HB VAL 5 HB VAL 5 15.857 -7.357 16.055 29 HG11 VAL 5 HG11 VAL 5 16.259 -9.027 17.736 30 HG12 VAL 5 HG12 VAL 5 17.376 -9.253 16.389 31 HG13 VAL 5 HG13 VAL 5 15.977 -10.313 16.563 32 HG21 VAL 5 HG21 VAL 5 15.317 -9.609 14.119 33 HG22 VAL 5 HG22 VAL 5 16.757 -8.593 14.127 34 HG23 VAL 5 HG23 VAL 5 15.179 -7.882 13.784 35 H SER 6 H SER 6 11.898 -8.723 14.874 36 HA SER 6 HA SER 6 11.768 -11.622 15.269 37 HG SER 6 HG SER 6 9.747 -11.033 16.749 38 HB2 SER 6 HB2 SER 6 9.649 -9.682 14.296 39 HB3 SER 6 HB3 SER 6 9.408 -11.395 14.644 40 H ASP 7 H ASP 7 12.952 -12.499 13.672 41 HA ASP 7 HA ASP 7 13.227 -11.225 11.109 42 HB2 ASP 7 HB2 ASP 7 14.256 -13.930 11.978 43 HB3 ASP 7 HB3 ASP 7 14.742 -13.058 10.531 44 H LYS 8 H LYS 8 11.180 -11.224 10.297 45 HA LYS 8 HA LYS 8 10.427 -13.202 8.458 46 HB2 LYS 8 HB2 LYS 8 8.344 -14.051 9.490 47 HB3 LYS 8 HB3 LYS 8 9.745 -14.542 10.426 48 HG2 LYS 8 HG2 LYS 8 9.276 -12.769 12.052 49 HG3 LYS 8 HG3 LYS 8 7.874 -12.272 11.105 50 HD2 LYS 8 HD2 LYS 8 6.853 -14.467 11.455 51 HD3 LYS 8 HD3 LYS 8 8.273 -14.987 12.364 52 HE2 LYS 8 HE2 LYS 8 7.840 -13.224 14.019 53 HE3 LYS 8 HE3 LYS 8 6.410 -12.736 13.115 54 HZ1 LYS 8 HZ1 LYS 8 5.433 -14.895 13.545 55 HZ2 LYS 8 HZ2 LYS 8 5.936 -14.225 15.034 56 HZ3 LYS 8 HZ3 LYS 8 6.839 -15.412 14.294 57 H ARG 9 H ARG 9 7.900 -12.751 7.933 58 HA ARG 9 HA ARG 9 7.786 -9.913 7.456 59 HE ARG 9 HE ARG 9 7.623 -11.878 2.792 60 HB2 ARG 9 HB2 ARG 9 5.688 -12.018 6.822 61 HB3 ARG 9 HB3 ARG 9 5.783 -10.352 6.245 62 HG2 ARG 9 HG2 ARG 9 7.697 -10.808 4.952 63 HG3 ARG 9 HG3 ARG 9 7.843 -12.428 5.635 64 HD2 ARG 9 HD2 ARG 9 5.722 -13.074 4.648 65 HD3 ARG 9 HD3 ARG 9 5.480 -11.443 4.037 66 HH11 ARG 9 HH11 ARG 9 5.212 -14.383 3.482 67 HH12 ARG 9 HH12 ARG 9 5.551 -15.317 2.119 68 HH21 ARG 9 HH21 ARG 9 8.079 -13.151 0.898 69 HH22 ARG 9 HH22 ARG 9 7.215 -14.603 0.588 70 H THR 10 H THR 10 7.327 -8.780 9.214 71 HA THR 10 HA THR 10 5.547 -9.774 11.229 72 HB THR 10 HB THR 10 6.226 -7.604 12.314 73 HG1 THR 10 HG1 THR 10 6.752 -6.560 10.353 74 HG21 THR 10 HG21 THR 10 8.510 -8.380 12.803 75 HG22 THR 10 HG22 THR 10 8.438 -9.469 11.420 76 HG23 THR 10 HG23 THR 10 7.378 -9.731 12.803 77 H CYS 11 H CYS 11 3.495 -9.057 11.562 78 HA CYS 11 HA CYS 11 2.590 -6.694 10.065 79 HB2 CYS 11 HB2 CYS 11 1.024 -9.236 10.591 80 HB3 CYS 11 HB3 CYS 11 0.402 -7.794 9.813 81 H VAL 12 H VAL 12 1.065 -5.462 11.179 82 HA VAL 12 HA VAL 12 0.218 -6.257 13.876 83 HB VAL 12 HB VAL 12 1.725 -3.639 13.384 84 HG11 VAL 12 HG11 VAL 12 0.453 -4.650 15.927 85 HG12 VAL 12 HG12 VAL 12 -0.110 -3.291 14.952 86 HG13 VAL 12 HG13 VAL 12 1.446 -3.201 15.777 87 HG21 VAL 12 HG21 VAL 12 2.455 -5.979 15.139 88 HG22 VAL 12 HG22 VAL 12 3.353 -4.469 15.006 89 HG23 VAL 12 HG23 VAL 12 3.226 -5.547 13.613 90 H SER 13 H SER 13 -1.715 -5.418 14.499 91 HA SER 13 HA SER 13 -3.000 -3.623 12.609 92 HG SER 13 HG SER 13 -3.849 -6.802 14.450 93 HB2 SER 13 HB2 SER 13 -5.125 -4.503 13.687 94 HB3 SER 13 HB3 SER 13 -4.244 -5.681 12.710 95 H LEU 14 H LEU 14 -3.598 -1.705 13.288 96 HA LEU 14 HA LEU 14 -3.217 -1.002 16.103 97 HG LEU 14 HG LEU 14 -1.324 1.661 14.120 98 HB2 LEU 14 HB2 LEU 14 -3.558 0.750 13.646 99 HB3 LEU 14 HB3 LEU 14 -3.353 1.349 15.265 100 HD11 LEU 14 HD11 LEU 14 0.249 0.375 15.422 101 HD12 LEU 14 HD12 LEU 14 -1.067 -0.690 15.932 102 HD13 LEU 14 HD13 LEU 14 -1.095 1.014 16.380 103 HD21 LEU 14 HD21 LEU 14 -1.632 0.083 12.298 104 HD22 LEU 14 HD22 LEU 14 -1.370 -1.265 13.401 105 HD23 LEU 14 HD23 LEU 14 -0.046 -0.145 13.048 106 H THR 15 H THR 15 -5.072 -0.962 17.229 107 HA THR 15 HA THR 15 -7.482 -0.642 15.649 108 HB THR 15 HB THR 15 -7.318 -1.262 18.620 109 HG1 THR 15 HG1 THR 15 -6.464 -3.112 17.863 110 HG21 THR 15 HG21 THR 15 -9.364 -1.816 16.505 111 HG22 THR 15 HG22 THR 15 -9.462 -0.478 17.661 112 HG23 THR 15 HG23 THR 15 -9.545 -2.161 18.228 113 H THR 16 H THR 16 -8.051 1.332 15.398 114 HA THR 16 HA THR 16 -7.679 3.251 17.562 115 HB THR 16 HB THR 16 -5.809 3.571 16.030 116 HG1 THR 16 HG1 THR 16 -6.966 5.474 16.881 117 HG21 THR 16 HG21 THR 16 -6.752 2.570 14.011 118 HG22 THR 16 HG22 THR 16 -6.145 4.191 13.671 119 HG23 THR 16 HG23 THR 16 -7.880 3.918 13.854 120 H GLN 17 H GLN 17 -9.095 5.043 17.477 121 HA GLN 17 HA GLN 17 -11.694 4.351 16.566 122 HB2 GLN 17 HB2 GLN 17 -11.516 5.519 18.672 123 HB3 GLN 17 HB3 GLN 17 -10.668 6.858 17.912 124 HG2 GLN 17 HG2 GLN 17 -12.648 7.486 16.696 125 HG3 GLN 17 HG3 GLN 17 -13.507 6.072 17.302 126 HE21 GLN 17 HE21 GLN 17 -12.179 9.225 18.148 127 HE22 GLN 17 HE22 GLN 17 -13.082 9.388 19.593 128 H ARG 18 H ARG 18 -11.908 4.290 14.564 129 HA ARG 18 HA ARG 18 -11.530 6.706 12.940 130 HE ARG 18 HE ARG 18 -10.378 2.303 9.784 131 HB2 ARG 18 HB2 ARG 18 -10.960 5.215 11.044 132 HB3 ARG 18 HB3 ARG 18 -9.830 4.980 12.371 133 HG2 ARG 18 HG2 ARG 18 -10.213 2.790 11.985 134 HG3 ARG 18 HG3 ARG 18 -11.644 3.071 12.956 135 HD2 ARG 18 HD2 ARG 18 -12.555 2.017 11.102 136 HD3 ARG 18 HD3 ARG 18 -12.755 3.722 10.690 137 HH11 ARG 18 HH11 ARG 18 -13.364 4.020 8.798 138 HH12 ARG 18 HH12 ARG 18 -13.047 3.870 7.159 139 HH21 ARG 18 HH21 ARG 18 -10.012 2.117 7.495 140 HH22 ARG 18 HH22 ARG 18 -11.112 2.808 6.394 141 H LEU 19 H LEU 19 -13.323 7.083 11.495 142 HA LEU 19 HA LEU 19 -15.706 5.776 12.341 143 HG LEU 19 HG LEU 19 -15.083 7.399 8.868 144 HB2 LEU 19 HB2 LEU 19 -16.930 7.096 10.602 145 HB3 LEU 19 HB3 LEU 19 -15.999 8.096 11.681 146 HD11 LEU 19 HD11 LEU 19 -17.246 8.564 8.795 147 HD12 LEU 19 HD12 LEU 19 -15.936 9.610 8.246 148 HD13 LEU 19 HD13 LEU 19 -16.601 9.813 9.864 149 HD21 LEU 19 HD21 LEU 19 -13.727 9.418 9.134 150 HD22 LEU 19 HD22 LEU 19 -13.313 8.244 10.372 151 HD23 LEU 19 HD23 LEU 19 -14.334 9.623 10.770 152 HA PRO 20 HA PRO 20 -15.179 2.134 10.224 153 HB2 PRO 20 HB2 PRO 20 -17.758 1.263 10.002 154 HB3 PRO 20 HB3 PRO 20 -16.781 1.168 11.471 155 HG2 PRO 20 HG2 PRO 20 -18.838 3.183 10.688 156 HG3 PRO 20 HG3 PRO 20 -18.535 2.437 12.270 157 HD2 PRO 20 HD2 PRO 20 -17.715 4.916 11.619 158 HD3 PRO 20 HD3 PRO 20 -16.784 3.883 12.746 159 H VAL 21 H VAL 21 -15.313 1.014 8.451 160 HA VAL 21 HA VAL 21 -16.707 2.028 6.088 161 HB VAL 21 HB VAL 21 -14.247 2.682 6.031 162 HG11 VAL 21 HG11 VAL 21 -13.280 0.838 7.214 163 HG12 VAL 21 HG12 VAL 21 -12.549 0.982 5.615 164 HG13 VAL 21 HG13 VAL 21 -13.749 -0.273 5.926 165 HG21 VAL 21 HG21 VAL 21 -13.809 1.895 3.738 166 HG22 VAL 21 HG22 VAL 21 -15.465 2.464 3.942 167 HG23 VAL 21 HG23 VAL 21 -15.126 0.733 3.899 168 H SER 22 H SER 22 -17.302 0.287 4.647 169 HA SER 22 HA SER 22 -17.385 -2.292 6.046 170 HG SER 22 HG SER 22 -19.164 -0.400 6.084 171 HB2 SER 22 HB2 SER 22 -19.032 -1.297 3.722 172 HB3 SER 22 HB3 SER 22 -19.302 -2.782 4.633 173 H ARG 23 H ARG 23 -15.153 -1.140 4.183 174 HA ARG 23 HA ARG 23 -15.001 -3.476 2.407 175 HE ARG 23 HE ARG 23 -13.442 -2.645 -2.198 176 HB2 ARG 23 HB2 ARG 23 -15.838 -1.493 1.205 177 HB3 ARG 23 HB3 ARG 23 -14.361 -0.646 1.640 178 HG2 ARG 23 HG2 ARG 23 -13.056 -2.208 0.340 179 HG3 ARG 23 HG3 ARG 23 -14.510 -3.147 -0.023 180 HD2 ARG 23 HD2 ARG 23 -15.494 -1.223 -1.024 181 HD3 ARG 23 HD3 ARG 23 -14.016 -0.291 -0.740 182 HH11 ARG 23 HH11 ARG 23 -14.893 0.544 -2.632 183 HH12 ARG 23 HH12 ARG 23 -14.561 0.666 -4.279 184 HH21 ARG 23 HH21 ARG 23 -12.968 -2.525 -4.533 185 HH22 ARG 23 HH22 ARG 23 -13.417 -1.136 -5.392 186 H ILE 24 H ILE 24 -12.840 -4.129 1.892 187 HA ILE 24 HA ILE 24 -10.783 -3.136 3.728 188 HB ILE 24 HB ILE 24 -10.913 -5.664 2.045 189 HG12 ILE 24 HG12 ILE 24 -12.462 -5.671 3.975 190 HG13 ILE 24 HG13 ILE 24 -11.192 -6.874 4.146 191 HG21 ILE 24 HG21 ILE 24 -8.895 -6.394 3.245 192 HG22 ILE 24 HG22 ILE 24 -8.803 -4.818 4.028 193 HG23 ILE 24 HG23 ILE 24 -8.612 -4.941 2.281 194 HD11 ILE 24 HD11 ILE 24 -11.260 -4.184 5.497 195 HD12 ILE 24 HD12 ILE 24 -10.010 -5.411 5.663 196 HD13 ILE 24 HD13 ILE 24 -11.640 -5.735 6.253 197 H LYS 25 H LYS 25 -9.079 -2.038 2.915 198 HA LYS 25 HA LYS 25 -8.682 -2.099 -0.008 199 HB2 LYS 25 HB2 LYS 25 -8.055 0.341 1.744 200 HB3 LYS 25 HB3 LYS 25 -7.978 0.151 -0.001 201 HG2 LYS 25 HG2 LYS 25 -10.551 -0.015 1.509 202 HG3 LYS 25 HG3 LYS 25 -9.918 1.472 0.804 203 HD2 LYS 25 HD2 LYS 25 -10.251 -1.032 -0.746 204 HD3 LYS 25 HD3 LYS 25 -11.599 0.126 -0.616 205 HE2 LYS 25 HE2 LYS 25 -8.842 0.570 -1.826 206 HE3 LYS 25 HE3 LYS 25 -10.349 0.384 -2.713 207 HZ1 LYS 25 HZ1 LYS 25 -9.920 2.692 -2.627 208 HZ2 LYS 25 HZ2 LYS 25 -9.573 2.696 -0.976 209 HZ3 LYS 25 HZ3 LYS 25 -11.128 2.435 -1.530 210 H THR 26 H THR 26 -6.731 -2.822 -0.610 211 HA THR 26 HA THR 26 -4.585 -3.088 1.425 212 HB THR 26 HB THR 26 -5.053 -4.537 -1.202 213 HG1 THR 26 HG1 THR 26 -5.226 -6.240 0.766 214 HG21 THR 26 HG21 THR 26 -2.678 -4.408 -0.530 215 HG22 THR 26 HG22 THR 26 -3.292 -6.060 -0.404 216 HG23 THR 26 HG23 THR 26 -3.103 -5.081 1.047 217 H TYR 27 H TYR 27 -2.893 -1.885 1.231 218 HA TYR 27 HA TYR 27 -2.314 -0.731 -1.381 219 HD1 TYR 27 HD1 TYR 27 -2.391 2.063 -2.033 220 HD2 TYR 27 HD2 TYR 27 -4.671 0.779 1.291 221 HE1 TYR 27 HE1 TYR 27 -4.357 3.136 -3.000 222 HE2 TYR 27 HE2 TYR 27 -6.662 1.857 0.372 223 HH TYR 27 HH TYR 27 -7.295 3.517 -1.212 224 HB2 TYR 27 HB2 TYR 27 -2.273 0.648 1.282 225 HB3 TYR 27 HB3 TYR 27 -1.333 1.246 -0.087 226 H THR 28 H THR 28 -0.450 -1.009 -2.116 227 HA THR 28 HA THR 28 1.460 -2.229 -0.298 228 HB THR 28 HB THR 28 2.326 -3.529 -2.213 229 HG1 THR 28 HG1 THR 28 0.691 -1.803 -3.584 230 HG21 THR 28 HG21 THR 28 0.420 -5.049 -2.495 231 HG22 THR 28 HG22 THR 28 -0.668 -3.788 -1.931 232 HG23 THR 28 HG23 THR 28 0.493 -4.490 -0.822 233 H ILE 29 H ILE 29 3.390 -1.343 -0.133 234 HA ILE 29 HA ILE 29 4.295 0.475 -2.239 235 HB ILE 29 HB ILE 29 4.522 0.934 0.753 236 HG12 ILE 29 HG12 ILE 29 3.203 2.525 -1.455 237 HG13 ILE 29 HG13 ILE 29 2.385 1.620 -0.190 238 HG21 ILE 29 HG21 ILE 29 5.844 2.535 -1.456 239 HG22 ILE 29 HG22 ILE 29 6.662 1.511 -0.276 240 HG23 ILE 29 HG23 ILE 29 5.838 2.962 0.257 241 HD11 ILE 29 HD11 ILE 29 2.310 3.964 0.311 242 HD12 ILE 29 HD12 ILE 29 4.065 4.085 0.132 243 HD13 ILE 29 HD13 ILE 29 3.400 3.157 1.456 244 H THR 30 H THR 30 6.111 -0.188 -3.078 245 HA THR 30 HA THR 30 7.840 -1.826 -1.430 246 HB THR 30 HB THR 30 6.978 -3.106 -3.337 247 HG1 THR 30 HG1 THR 30 8.834 -3.933 -3.838 248 HG21 THR 30 HG21 THR 30 8.134 -0.924 -5.066 249 HG22 THR 30 HG22 THR 30 6.423 -1.285 -4.865 250 HG23 THR 30 HG23 THR 30 7.478 -2.450 -5.669 251 H GLU 31 H GLU 31 9.776 -1.080 -1.061 252 HA GLU 31 HA GLU 31 10.772 1.223 -2.576 253 HB2 GLU 31 HB2 GLU 31 9.550 2.202 -0.718 254 HB3 GLU 31 HB3 GLU 31 10.377 1.159 0.424 255 HG2 GLU 31 HG2 GLU 31 11.279 3.401 0.510 256 HG3 GLU 31 HG3 GLU 31 12.491 2.275 -0.089 257 H GLY 32 H GLY 32 12.713 0.720 -3.159 258 HA2 GLY 32 HA2 GLY 32 14.912 0.061 -3.111 259 HA3 GLY 32 HA3 GLY 32 14.798 0.085 -1.357 260 H SER 33 H SER 33 14.127 -1.765 -0.304 261 HA SER 33 HA SER 33 14.040 -4.247 -1.818 262 HG SER 33 HG SER 33 16.215 -3.741 -2.348 263 HB2 SER 33 HB2 SER 33 15.961 -3.756 0.442 264 HB3 SER 33 HB3 SER 33 15.737 -5.283 -0.411 265 H LEU 34 H LEU 34 12.355 -2.424 0.139 266 HA LEU 34 HA LEU 34 11.417 -4.737 1.637 267 HG LEU 34 HG LEU 34 10.532 -1.169 2.250 268 HB2 LEU 34 HB2 LEU 34 10.717 -3.390 3.525 269 HB3 LEU 34 HB3 LEU 34 12.445 -3.226 3.287 270 HD11 LEU 34 HD11 LEU 34 10.813 0.021 4.397 271 HD12 LEU 34 HD12 LEU 34 11.753 -1.337 5.022 272 HD13 LEU 34 HD13 LEU 34 10.048 -1.553 4.631 273 HD21 LEU 34 HD21 LEU 34 12.910 -1.178 1.564 274 HD22 LEU 34 HD22 LEU 34 13.375 -0.949 3.262 275 HD23 LEU 34 HD23 LEU 34 12.409 0.268 2.409 276 H ARG 35 H ARG 35 9.328 -5.005 1.721 277 HA ARG 35 HA ARG 35 7.725 -3.036 0.269 278 HE ARG 35 HE ARG 35 6.562 -7.481 -0.678 279 HB2 ARG 35 HB2 ARG 35 8.115 -4.989 -1.106 280 HB3 ARG 35 HB3 ARG 35 7.562 -6.039 0.179 281 HG2 ARG 35 HG2 ARG 35 5.316 -5.282 -0.082 282 HG3 ARG 35 HG3 ARG 35 5.825 -4.017 -1.208 283 HD2 ARG 35 HD2 ARG 35 4.890 -5.985 -2.363 284 HD3 ARG 35 HD3 ARG 35 6.579 -5.635 -2.772 285 HH11 ARG 35 HH11 ARG 35 5.657 -7.406 -4.101 286 HH12 ARG 35 HH12 ARG 35 5.945 -9.067 -4.341 287 HH21 ARG 35 HH21 ARG 35 7.017 -9.666 -1.013 288 HH22 ARG 35 HH22 ARG 35 6.756 -10.417 -2.535 289 H ALA 36 H ALA 36 5.927 -2.350 1.218 290 HA ALA 36 HA ALA 36 5.141 -3.652 3.733 291 HB1 ALA 36 HB1 ALA 36 4.590 -1.437 4.609 292 HB2 ALA 36 HB2 ALA 36 5.151 -0.703 3.107 293 HB3 ALA 36 HB3 ALA 36 6.293 -1.538 4.158 294 H VAL 37 H VAL 37 3.002 -3.801 4.148 295 HA VAL 37 HA VAL 37 1.163 -2.923 2.014 296 HB VAL 37 HB VAL 37 0.997 -5.560 3.507 297 HG11 VAL 37 HG11 VAL 37 -0.953 -6.015 2.085 298 HG12 VAL 37 HG12 VAL 37 -0.831 -4.395 1.402 299 HG13 VAL 37 HG13 VAL 37 -1.224 -4.602 3.107 300 HG21 VAL 37 HG21 VAL 37 1.169 -6.498 1.232 301 HG22 VAL 37 HG22 VAL 37 2.653 -5.634 1.742 302 HG23 VAL 37 HG23 VAL 37 1.474 -4.857 0.670 303 H ILE 38 H ILE 38 -0.446 -1.732 2.640 304 HA ILE 38 HA ILE 38 -1.078 -1.510 5.454 305 HB ILE 38 HB ILE 38 -1.396 0.253 3.042 306 HG12 ILE 38 HG12 ILE 38 -0.005 0.701 5.669 307 HG13 ILE 38 HG13 ILE 38 0.765 0.209 4.163 308 HG21 ILE 38 HG21 ILE 38 -3.457 0.433 4.298 309 HG22 ILE 38 HG22 ILE 38 -2.496 1.905 4.416 310 HG23 ILE 38 HG23 ILE 38 -2.553 0.775 5.776 311 HD11 ILE 38 HD11 ILE 38 -0.777 2.762 4.514 312 HD12 ILE 38 HD12 ILE 38 0.241 2.226 3.136 313 HD13 ILE 38 HD13 ILE 38 0.974 2.590 4.695 314 H PHE 39 H PHE 39 -2.858 -2.481 6.066 315 HA PHE 39 HA PHE 39 -4.949 -3.068 4.099 316 HD1 PHE 39 HD1 PHE 39 -5.342 -5.862 3.640 317 HD2 PHE 39 HD2 PHE 39 -2.348 -5.263 6.600 318 HE1 PHE 39 HE1 PHE 39 -3.996 -7.653 2.636 319 HE2 PHE 39 HE2 PHE 39 -0.998 -7.052 5.600 320 HZ PHE 39 HZ PHE 39 -1.819 -8.254 3.617 321 HB2 PHE 39 HB2 PHE 39 -4.453 -4.266 6.831 322 HB3 PHE 39 HB3 PHE 39 -5.802 -4.677 5.785 323 H ILE 40 H ILE 40 -6.443 -1.675 4.096 324 HA ILE 40 HA ILE 40 -6.958 -0.048 6.429 325 HB ILE 40 HB ILE 40 -8.165 -0.042 3.675 326 HG12 ILE 40 HG12 ILE 40 -5.860 0.670 3.498 327 HG13 ILE 40 HG13 ILE 40 -6.885 2.085 3.394 328 HG21 ILE 40 HG21 ILE 40 -9.785 0.825 5.135 329 HG22 ILE 40 HG22 ILE 40 -9.074 2.188 4.280 330 HG23 ILE 40 HG23 ILE 40 -8.616 1.835 5.961 331 HD11 ILE 40 HD11 ILE 40 -6.317 2.664 5.738 332 HD12 ILE 40 HD12 ILE 40 -4.912 2.496 4.677 333 HD13 ILE 40 HD13 ILE 40 -5.301 1.206 5.777 334 H THR 41 H THR 41 -8.281 -0.762 7.906 335 HA THR 41 HA THR 41 -10.546 -2.456 7.101 336 HB THR 41 HB THR 41 -10.263 -3.648 9.257 337 HG1 THR 41 HG1 THR 41 -7.720 -2.466 9.536 338 HG21 THR 41 HG21 THR 41 -7.732 -3.614 7.588 339 HG22 THR 41 HG22 THR 41 -9.162 -4.600 7.276 340 HG23 THR 41 HG23 THR 41 -8.196 -4.884 8.720 341 H LYS 42 H LYS 42 -12.417 -2.222 8.586 342 HA LYS 42 HA LYS 42 -12.701 0.384 9.641 343 HB2 LYS 42 HB2 LYS 42 -14.914 -0.138 10.387 344 HB3 LYS 42 HB3 LYS 42 -14.685 -0.865 8.830 345 HG2 LYS 42 HG2 LYS 42 -14.582 -2.410 11.436 346 HG3 LYS 42 HG3 LYS 42 -16.053 -2.155 10.525 347 HD2 LYS 42 HD2 LYS 42 -15.399 -4.305 9.927 348 HD3 LYS 42 HD3 LYS 42 -14.782 -3.340 8.600 349 HE2 LYS 42 HE2 LYS 42 -12.528 -3.404 9.684 350 HE3 LYS 42 HE3 LYS 42 -13.224 -4.378 10.957 351 HZ1 LYS 42 HZ1 LYS 42 -13.097 -5.205 8.094 352 HZ2 LYS 42 HZ2 LYS 42 -13.781 -6.070 9.364 353 HZ3 LYS 42 HZ3 LYS 42 -12.159 -5.804 9.374 354 H ARG 43 H ARG 43 -10.940 -1.991 10.871 355 HA ARG 43 HA ARG 43 -11.408 -1.487 13.696 356 HE ARG 43 HE ARG 43 -8.632 -4.637 14.336 357 HB2 ARG 43 HB2 ARG 43 -9.305 -3.065 12.191 358 HB3 ARG 43 HB3 ARG 43 -9.365 -2.901 13.939 359 HG2 ARG 43 HG2 ARG 43 -11.410 -4.109 14.052 360 HG3 ARG 43 HG3 ARG 43 -11.568 -4.097 12.294 361 HD2 ARG 43 HD2 ARG 43 -10.751 -6.253 13.230 362 HD3 ARG 43 HD3 ARG 43 -9.676 -5.532 12.034 363 HH11 ARG 43 HH11 ARG 43 -9.621 -7.928 13.403 364 HH12 ARG 43 HH12 ARG 43 -8.373 -8.669 14.288 365 HH21 ARG 43 HH21 ARG 43 -6.907 -5.718 15.522 366 HH22 ARG 43 HH22 ARG 43 -6.807 -7.421 15.497 367 H GLY 44 H GLY 44 -9.588 -0.360 11.026 368 HA2 GLY 44 HA2 GLY 44 -8.679 1.929 11.507 369 HA3 GLY 44 HA3 GLY 44 -7.758 1.084 12.759 370 H LEU 45 H LEU 45 -5.915 0.611 12.211 371 HA LEU 45 HA LEU 45 -5.244 0.342 9.348 372 HG LEU 45 HG LEU 45 -2.147 0.312 9.942 373 HB2 LEU 45 HB2 LEU 45 -4.326 2.347 10.351 374 HB3 LEU 45 HB3 LEU 45 -3.593 1.406 11.629 375 HD11 LEU 45 HD11 LEU 45 -3.535 0.564 7.996 376 HD12 LEU 45 HD12 LEU 45 -1.955 1.307 7.731 377 HD13 LEU 45 HD13 LEU 45 -3.360 2.318 8.068 378 HD21 LEU 45 HD21 LEU 45 -1.996 3.324 10.063 379 HD22 LEU 45 HD22 LEU 45 -0.700 2.257 9.550 380 HD23 LEU 45 HD23 LEU 45 -1.260 2.195 11.209 381 H LYS 46 H LYS 46 -4.031 -1.404 8.726 382 HA LYS 46 HA LYS 46 -2.531 -2.792 10.740 383 HB2 LYS 46 HB2 LYS 46 -4.473 -4.216 10.622 384 HB3 LYS 46 HB3 LYS 46 -4.447 -4.203 8.866 385 HG2 LYS 46 HG2 LYS 46 -2.451 -5.517 8.803 386 HG3 LYS 46 HG3 LYS 46 -2.217 -5.338 10.540 387 HD2 LYS 46 HD2 LYS 46 -4.013 -6.601 11.029 388 HD3 LYS 46 HD3 LYS 46 -4.621 -6.684 9.335 389 HE2 LYS 46 HE2 LYS 46 -2.530 -7.957 8.831 390 HE3 LYS 46 HE3 LYS 46 -2.119 -7.893 10.545 391 HZ1 LYS 46 HZ1 LYS 46 -4.530 -9.211 9.402 392 HZ2 LYS 46 HZ2 LYS 46 -4.128 -9.149 11.030 393 HZ3 LYS 46 HZ3 LYS 46 -3.150 -9.989 9.963 394 H VAL 47 H VAL 47 -0.697 -3.649 10.029 395 HA VAL 47 HA VAL 47 -0.020 -2.982 7.258 396 HB VAL 47 HB VAL 47 0.656 -1.165 8.830 397 HG11 VAL 47 HG11 VAL 47 2.700 -1.517 10.194 398 HG12 VAL 47 HG12 VAL 47 2.550 -3.238 9.873 399 HG13 VAL 47 HG13 VAL 47 1.276 -2.410 10.762 400 HG21 VAL 47 HG21 VAL 47 1.721 -1.377 6.663 401 HG22 VAL 47 HG22 VAL 47 2.870 -2.544 7.320 402 HG23 VAL 47 HG23 VAL 47 2.906 -0.866 7.866 403 H CYS 48 H CYS 48 1.345 -4.307 6.296 404 HA CYS 48 HA CYS 48 2.660 -6.356 7.914 405 HB2 CYS 48 HB2 CYS 48 1.328 -6.678 5.243 406 HB3 CYS 48 HB3 CYS 48 2.604 -7.774 5.766 407 H ALA 49 H ALA 49 4.712 -6.761 7.583 408 HA ALA 49 HA ALA 49 6.072 -5.021 5.633 409 HB1 ALA 49 HB1 ALA 49 7.149 -6.132 8.214 410 HB2 ALA 49 HB2 ALA 49 6.505 -4.507 7.963 411 HB3 ALA 49 HB3 ALA 49 7.956 -5.011 7.104 412 H ASP 50 H ASP 50 7.116 -6.047 4.065 413 HA ASP 50 HA ASP 50 7.952 -8.819 4.487 414 HB2 ASP 50 HB2 ASP 50 6.037 -8.843 3.009 415 HB3 ASP 50 HB3 ASP 50 6.756 -7.594 2.001 416 HA PRO 51 HA PRO 51 11.654 -6.700 3.205 417 HB2 PRO 51 HB2 PRO 51 13.354 -8.143 4.651 418 HB3 PRO 51 HB3 PRO 51 12.309 -6.914 5.366 419 HG2 PRO 51 HG2 PRO 51 12.137 -9.855 5.573 420 HG3 PRO 51 HG3 PRO 51 11.493 -8.614 6.655 421 HD2 PRO 51 HD2 PRO 51 10.100 -10.086 4.616 422 HD3 PRO 51 HD3 PRO 51 9.473 -8.840 5.716 423 H GLN 52 H GLN 52 12.668 -7.010 1.391 424 HA GLN 52 HA GLN 52 14.068 -7.809 -0.170 425 HB2 GLN 52 HB2 GLN 52 14.842 -9.768 1.975 426 HB3 GLN 52 HB3 GLN 52 15.848 -9.146 0.670 427 HG2 GLN 52 HG2 GLN 52 15.737 -6.884 1.662 428 HG3 GLN 52 HG3 GLN 52 14.728 -7.481 2.943 429 HE21 GLN 52 HE21 GLN 52 15.619 -8.857 4.524 430 HE22 GLN 52 HE22 GLN 52 17.322 -8.925 4.785 431 H ALA 53 H ALA 53 11.370 -9.200 0.008 432 HA ALA 53 HA ALA 53 11.907 -11.955 -0.516 433 HB1 ALA 53 HB1 ALA 53 9.855 -11.246 0.625 434 HB2 ALA 53 HB2 ALA 53 9.542 -12.269 -0.779 435 HB3 ALA 53 HB3 ALA 53 9.291 -10.526 -0.879 436 H THR 54 H THR 54 9.894 -9.933 -2.668 437 HA THR 54 HA THR 54 11.381 -11.162 -4.854 438 HB THR 54 HB THR 54 9.179 -11.218 -6.126 439 HG1 THR 54 HG1 THR 54 7.494 -11.555 -4.225 440 HG21 THR 54 HG21 THR 54 9.460 -12.982 -3.679 441 HG22 THR 54 HG22 THR 54 10.240 -13.250 -5.238 442 HG23 THR 54 HG23 THR 54 8.486 -13.350 -5.105 443 H TRP 55 H TRP 55 8.678 -8.905 -5.026 444 HA TRP 55 HA TRP 55 10.239 -7.392 -6.934 445 HD1 TRP 55 HD1 TRP 55 6.422 -9.493 -6.772 446 HE1 TRP 55 HE1 TRP 55 6.507 -11.020 -8.823 447 HE3 TRP 55 HE3 TRP 55 9.807 -6.887 -9.565 448 HZ2 TRP 55 HZ2 TRP 55 7.845 -11.117 -11.319 449 HZ3 TRP 55 HZ3 TRP 55 10.443 -7.758 -11.764 450 HH2 TRP 55 HH2 TRP 55 9.484 -9.830 -12.630 451 HB2 TRP 55 HB2 TRP 55 7.325 -7.147 -6.197 452 HB3 TRP 55 HB3 TRP 55 8.123 -6.255 -7.490 453 H VAL 56 H VAL 56 11.494 -5.898 -6.267 454 HA VAL 56 HA VAL 56 10.514 -3.911 -4.414 455 HB VAL 56 HB VAL 56 12.753 -3.834 -3.308 456 HG11 VAL 56 HG11 VAL 56 11.327 -6.489 -3.073 457 HG12 VAL 56 HG12 VAL 56 10.915 -5.010 -2.205 458 HG13 VAL 56 HG13 VAL 56 12.441 -5.827 -1.877 459 HG21 VAL 56 HG21 VAL 56 13.224 -6.431 -4.777 460 HG22 VAL 56 HG22 VAL 56 14.268 -5.771 -3.520 461 HG23 VAL 56 HG23 VAL 56 14.073 -4.911 -5.051 462 H ARG 57 H ARG 57 11.282 -1.832 -4.853 463 HA ARG 57 HA ARG 57 13.234 -1.379 -6.911 464 HE ARG 57 HE ARG 57 10.144 0.709 -9.473 465 HB2 ARG 57 HB2 ARG 57 11.662 -0.329 -8.490 466 HB3 ARG 57 HB3 ARG 57 11.358 -2.051 -8.302 467 HG2 ARG 57 HG2 ARG 57 9.519 -1.545 -6.756 468 HG3 ARG 57 HG3 ARG 57 9.811 0.177 -6.995 469 HD2 ARG 57 HD2 ARG 57 9.020 -1.797 -9.130 470 HD3 ARG 57 HD3 ARG 57 7.945 -0.647 -8.347 471 HH11 ARG 57 HH11 ARG 57 7.188 -0.966 -10.420 472 HH12 ARG 57 HH12 ARG 57 6.971 -0.107 -11.861 473 HH21 ARG 57 HH21 ARG 57 9.862 1.912 -11.463 474 HH22 ARG 57 HH22 ARG 57 8.535 1.559 -12.476 475 H ASP 58 H ASP 58 13.181 1.019 -7.489 476 HA ASP 58 HA ASP 58 12.787 2.581 -5.062 477 HB2 ASP 58 HB2 ASP 58 14.939 2.735 -6.320 478 HB3 ASP 58 HB3 ASP 58 14.054 3.311 -7.723 479 H VAL 59 H VAL 59 10.901 3.654 -4.840 480 HA VAL 59 HA VAL 59 9.433 4.194 -7.269 481 HB VAL 59 HB VAL 59 7.423 4.534 -5.758 482 HG11 VAL 59 HG11 VAL 59 8.774 1.833 -5.727 483 HG12 VAL 59 HG12 VAL 59 7.764 2.469 -7.025 484 HG13 VAL 59 HG13 VAL 59 7.058 2.116 -5.445 485 HG21 VAL 59 HG21 VAL 59 8.609 4.917 -3.647 486 HG22 VAL 59 HG22 VAL 59 9.251 3.275 -3.705 487 HG23 VAL 59 HG23 VAL 59 7.520 3.535 -3.510 488 H VAL 60 H VAL 60 9.889 6.019 -8.092 489 HA VAL 60 HA VAL 60 10.201 8.221 -8.447 490 HB VAL 60 HB VAL 60 8.486 8.579 -5.961 491 HG11 VAL 60 HG11 VAL 60 9.122 10.547 -8.157 492 HG12 VAL 60 HG12 VAL 60 9.701 10.623 -6.496 493 HG13 VAL 60 HG13 VAL 60 7.980 10.814 -6.839 494 HG21 VAL 60 HG21 VAL 60 6.624 8.883 -7.538 495 HG22 VAL 60 HG22 VAL 60 7.350 7.281 -7.693 496 HG23 VAL 60 HG23 VAL 60 7.712 8.529 -8.883 497 HA VAL 1 HA VAL 1 -1.479 -3.083 21.224 498 HB VAL 1 HB VAL 1 0.791 -1.988 22.921 499 H1 VAL 1 H1 VAL 1 0.576 -1.459 20.069 500 HG11 VAL 1 HG11 VAL 1 -0.400 -2.953 24.837 501 HG12 VAL 1 HG12 VAL 1 -1.716 -3.439 23.781 502 HG13 VAL 1 HG13 VAL 1 -1.374 -1.726 24.033 503 HG21 VAL 1 HG21 VAL 1 -0.075 -4.833 22.410 504 HG22 VAL 1 HG22 VAL 1 1.185 -4.335 23.536 505 HG23 VAL 1 HG23 VAL 1 1.391 -4.066 21.803 506 H GLY 2 H GLY 2 -3.148 -1.786 21.229 507 HA2 GLY 2 HA2 GLY 2 -2.716 1.094 21.658 508 HA3 GLY 2 HA3 GLY 2 -4.041 0.411 20.713 509 H SER 3 H SER 3 -5.528 1.571 22.043 510 HA SER 3 HA SER 3 -6.089 0.135 24.517 511 HG SER 3 HG SER 3 -4.264 1.556 24.851 512 HB2 SER 3 HB2 SER 3 -6.275 3.135 24.106 513 HB3 SER 3 HB3 SER 3 -6.720 2.260 25.575 514 H GLU 4 H GLU 4 -8.489 0.806 25.171 515 HA GLU 4 HA GLU 4 -10.175 -0.241 23.215 516 HB2 GLU 4 HB2 GLU 4 -10.885 1.342 25.698 517 HB3 GLU 4 HB3 GLU 4 -12.069 0.540 24.690 518 HG2 GLU 4 HG2 GLU 4 -11.574 -0.779 26.675 519 HG3 GLU 4 HG3 GLU 4 -11.062 -1.631 25.223 520 H VAL 5 H VAL 5 -9.786 3.117 24.236 521 HA VAL 5 HA VAL 5 -10.899 3.799 21.654 522 HB VAL 5 HB VAL 5 -12.522 4.526 23.331 523 HG11 VAL 5 HG11 VAL 5 -11.139 4.726 25.287 524 HG12 VAL 5 HG12 VAL 5 -12.022 6.227 25.023 525 HG13 VAL 5 HG13 VAL 5 -10.314 6.126 24.599 526 HG21 VAL 5 HG21 VAL 5 -11.030 6.881 22.172 527 HG22 VAL 5 HG22 VAL 5 -12.679 6.929 22.794 528 HG23 VAL 5 HG23 VAL 5 -12.296 5.951 21.377 529 H SER 6 H SER 6 -9.066 3.860 20.590 530 HA SER 6 HA SER 6 -7.014 5.702 21.544 531 HG SER 6 HG SER 6 -7.118 2.616 21.313 532 HB2 SER 6 HB2 SER 6 -6.822 3.595 19.377 533 HB3 SER 6 HB3 SER 6 -5.492 4.530 20.056 534 H ASP 7 H ASP 7 -7.931 7.612 20.854 535 HA ASP 7 HA ASP 7 -8.705 7.884 18.047 536 HB2 ASP 7 HB2 ASP 7 -10.167 8.856 19.798 537 HB3 ASP 7 HB3 ASP 7 -8.841 9.864 20.342 538 H LYS 8 H LYS 8 -6.119 8.342 20.107 539 HA LYS 8 HA LYS 8 -4.740 10.421 18.710 540 HB2 LYS 8 HB2 LYS 8 -2.834 9.798 20.120 541 HB3 LYS 8 HB3 LYS 8 -4.296 9.950 21.082 542 HG2 LYS 8 HG2 LYS 8 -4.537 7.494 21.070 543 HG3 LYS 8 HG3 LYS 8 -3.041 7.371 20.150 544 HD2 LYS 8 HD2 LYS 8 -1.845 8.488 22.012 545 HD3 LYS 8 HD3 LYS 8 -3.355 8.519 22.919 546 HE2 LYS 8 HE2 LYS 8 -3.461 6.077 22.846 547 HE3 LYS 8 HE3 LYS 8 -1.961 6.040 21.926 548 HZ1 LYS 8 HZ1 LYS 8 -0.817 7.024 23.824 549 HZ2 LYS 8 HZ2 LYS 8 -1.616 5.602 24.283 550 HZ3 LYS 8 HZ3 LYS 8 -2.267 7.092 24.678 551 H ARG 9 H ARG 9 -2.519 9.935 17.768 552 HA ARG 9 HA ARG 9 -2.847 8.043 15.643 553 HE ARG 9 HE ARG 9 -2.153 12.578 13.284 554 HB2 ARG 9 HB2 ARG 9 -0.410 9.699 16.370 555 HB3 ARG 9 HB3 ARG 9 -0.720 8.840 14.859 556 HG2 ARG 9 HG2 ARG 9 -2.493 10.282 14.283 557 HG3 ARG 9 HG3 ARG 9 -2.480 11.031 15.875 558 HD2 ARG 9 HD2 ARG 9 -0.252 11.924 15.440 559 HD3 ARG 9 HD3 ARG 9 -0.253 11.154 13.854 560 HH11 ARG 9 HH11 ARG 9 -0.169 13.613 16.015 561 HH12 ARG 9 HH12 ARG 9 -0.445 15.275 15.767 562 HH21 ARG 9 HH21 ARG 9 -2.547 14.825 12.948 563 HH22 ARG 9 HH22 ARG 9 -1.849 15.985 13.976 564 H THR 10 H THR 10 -2.586 5.915 16.056 565 HA THR 10 HA THR 10 -0.715 5.039 18.062 566 HB THR 10 HB THR 10 -1.632 2.782 17.442 567 HG1 THR 10 HG1 THR 10 -2.241 3.686 15.270 568 HG21 THR 10 HG21 THR 10 -3.862 3.179 18.419 569 HG22 THR 10 HG22 THR 10 -3.672 4.909 18.137 570 HG23 THR 10 HG23 THR 10 -2.619 4.083 19.283 571 H CYS 11 H CYS 11 1.313 4.297 17.615 572 HA CYS 11 HA CYS 11 1.939 3.632 14.821 573 HB2 CYS 11 HB2 CYS 11 3.678 5.145 16.786 574 HB3 CYS 11 HB3 CYS 11 4.166 4.619 15.188 575 H VAL 12 H VAL 12 3.463 2.015 14.604 576 HA VAL 12 HA VAL 12 4.687 0.779 16.975 577 HB VAL 12 HB VAL 12 2.946 -0.852 15.053 578 HG11 VAL 12 HG11 VAL 12 4.677 -1.842 17.322 579 HG12 VAL 12 HG12 VAL 12 4.995 -2.093 15.603 580 HG13 VAL 12 HG13 VAL 12 3.585 -2.832 16.364 581 HG21 VAL 12 HG21 VAL 12 1.669 -1.481 17.045 582 HG22 VAL 12 HG22 VAL 12 1.694 0.281 16.857 583 HG23 VAL 12 HG23 VAL 12 2.732 -0.495 18.041 584 H SER 13 H SER 13 6.675 -0.094 16.646 585 HA SER 13 HA SER 13 7.676 0.000 13.918 586 HG SER 13 HG SER 13 9.584 -0.248 17.227 587 HB2 SER 13 HB2 SER 13 9.915 -0.032 15.193 588 HB3 SER 13 HB3 SER 13 9.008 1.491 15.154 589 H LEU 14 H LEU 14 8.306 -1.761 12.967 590 HA LEU 14 HA LEU 14 8.520 -4.222 14.521 591 HG LEU 14 HG LEU 14 5.982 -5.293 12.027 592 HB2 LEU 14 HB2 LEU 14 7.880 -3.775 11.615 593 HB3 LEU 14 HB3 LEU 14 8.315 -5.337 12.257 594 HD11 LEU 14 HD11 LEU 14 6.848 -6.364 13.986 595 HD12 LEU 14 HD12 LEU 14 5.232 -5.718 14.290 596 HD13 LEU 14 HD13 LEU 14 6.659 -4.886 14.921 597 HD21 LEU 14 HD21 LEU 14 5.616 -2.887 11.903 598 HD22 LEU 14 HD22 LEU 14 5.985 -2.728 13.618 599 HD23 LEU 14 HD23 LEU 14 4.532 -3.599 13.108 600 H THR 15 H THR 15 10.406 -4.976 14.823 601 HA THR 15 HA THR 15 12.509 -4.095 13.034 602 HB THR 15 HB THR 15 12.857 -5.306 15.796 603 HG1 THR 15 HG1 THR 15 11.918 -3.440 16.267 604 HG21 THR 15 HG21 THR 15 15.009 -4.159 15.628 605 HG22 THR 15 HG22 THR 15 14.544 -3.612 14.020 606 HG23 THR 15 HG23 THR 15 14.815 -5.339 14.298 607 H THR 16 H THR 16 13.032 -5.507 11.662 608 HA THR 16 HA THR 16 13.017 -8.389 12.239 609 HB THR 16 HB THR 16 10.887 -7.929 11.137 610 HG1 THR 16 HG1 THR 16 10.990 -9.435 9.653 611 HG21 THR 16 HG21 THR 16 10.756 -6.911 8.908 612 HG22 THR 16 HG22 THR 16 12.492 -6.608 8.958 613 HG23 THR 16 HG23 THR 16 11.420 -5.801 10.106 614 H GLN 17 H GLN 17 13.886 -9.306 9.830 615 HA GLN 17 HA GLN 17 16.596 -8.374 9.662 616 HB2 GLN 17 HB2 GLN 17 16.055 -10.757 9.327 617 HB3 GLN 17 HB3 GLN 17 15.096 -10.344 7.915 618 HG2 GLN 17 HG2 GLN 17 17.114 -9.512 6.795 619 HG3 GLN 17 HG3 GLN 17 18.067 -9.955 8.209 620 HE21 GLN 17 HE21 GLN 17 16.272 -11.129 5.476 621 HE22 GLN 17 HE22 GLN 17 16.877 -12.730 5.514 622 H ARG 18 H ARG 18 16.598 -6.309 8.953 623 HA ARG 18 HA ARG 18 15.545 -5.861 6.264 624 HE ARG 18 HE ARG 18 13.059 -5.777 6.669 625 HB2 ARG 18 HB2 ARG 18 14.214 -4.958 8.101 626 HB3 ARG 18 HB3 ARG 18 15.580 -3.921 8.559 627 HG2 ARG 18 HG2 ARG 18 13.911 -2.680 7.382 628 HG3 ARG 18 HG3 ARG 18 15.323 -2.836 6.321 629 HD2 ARG 18 HD2 ARG 18 13.088 -3.209 5.240 630 HD3 ARG 18 HD3 ARG 18 14.241 -4.529 5.034 631 HH11 ARG 18 HH11 ARG 18 11.300 -2.842 5.846 632 HH12 ARG 18 HH12 ARG 18 9.745 -3.482 6.045 633 HH21 ARG 18 HH21 ARG 18 10.903 -6.714 6.963 634 HH22 ARG 18 HH22 ARG 18 9.507 -5.791 6.715 635 H LEU 19 H LEU 19 17.010 -4.977 4.933 636 HA LEU 19 HA LEU 19 19.681 -4.660 5.831 637 HG LEU 19 HG LEU 19 17.240 -4.998 2.973 638 HB2 LEU 19 HB2 LEU 19 20.056 -4.009 3.380 639 HB3 LEU 19 HB3 LEU 19 19.496 -5.630 3.715 640 HD11 LEU 19 HD11 LEU 19 18.425 -2.294 2.337 641 HD12 LEU 19 HD12 LEU 19 17.244 -2.658 3.592 642 HD13 LEU 19 HD13 LEU 19 16.797 -2.846 1.908 643 HD21 LEU 19 HD21 LEU 19 19.428 -4.285 1.041 644 HD22 LEU 19 HD22 LEU 19 17.773 -4.729 0.614 645 HD23 LEU 19 HD23 LEU 19 18.827 -5.904 1.397 646 HA PRO 20 HA PRO 20 19.908 -0.309 6.522 647 HB2 PRO 20 HB2 PRO 20 22.185 0.456 5.224 648 HB3 PRO 20 HB3 PRO 20 22.179 -0.393 6.773 649 HG2 PRO 20 HG2 PRO 20 22.607 -1.465 4.026 650 HG3 PRO 20 HG3 PRO 20 23.447 -1.877 5.531 651 HD2 PRO 20 HD2 PRO 20 21.518 -3.404 4.453 652 HD3 PRO 20 HD3 PRO 20 21.775 -3.311 6.213 653 H VAL 21 H VAL 21 19.398 1.574 5.676 654 HA VAL 21 HA VAL 21 18.972 1.747 2.787 655 HB VAL 21 HB VAL 21 16.811 1.320 3.971 656 HG11 VAL 21 HG11 VAL 21 17.312 3.937 5.364 657 HG12 VAL 21 HG12 VAL 21 17.237 2.335 6.100 658 HG13 VAL 21 HG13 VAL 21 15.793 3.046 5.383 659 HG21 VAL 21 HG21 VAL 21 15.517 3.166 2.962 660 HG22 VAL 21 HG22 VAL 21 16.756 2.541 1.874 661 HG23 VAL 21 HG23 VAL 21 17.019 4.060 2.726 662 H SER 22 H SER 22 19.259 3.832 1.908 663 HA SER 22 HA SER 22 21.284 5.301 3.178 664 HG SER 22 HG SER 22 21.999 4.529 1.115 665 HB2 SER 22 HB2 SER 22 19.637 6.041 0.755 666 HB3 SER 22 HB3 SER 22 21.189 6.738 1.213 667 H ARG 23 H ARG 23 17.886 6.148 2.423 668 HA ARG 23 HA ARG 23 18.070 8.275 4.438 669 HE ARG 23 HE ARG 23 15.493 12.197 3.479 670 HB2 ARG 23 HB2 ARG 23 18.082 9.078 2.108 671 HB3 ARG 23 HB3 ARG 23 16.525 8.303 1.863 672 HG2 ARG 23 HG2 ARG 23 15.530 9.722 3.531 673 HG3 ARG 23 HG3 ARG 23 17.105 10.447 3.869 674 HD2 ARG 23 HD2 ARG 23 17.252 11.144 1.592 675 HD3 ARG 23 HD3 ARG 23 15.619 10.526 1.284 676 HH11 ARG 23 HH11 ARG 23 16.083 12.484 0.011 677 HH12 ARG 23 HH12 ARG 23 15.635 14.127 -0.073 678 HH21 ARG 23 HH21 ARG 23 14.875 14.466 3.360 679 HH22 ARG 23 HH22 ARG 23 14.928 15.257 1.854 680 H ILE 24 H ILE 24 16.113 8.617 5.613 681 HA ILE 24 HA ILE 24 14.479 6.246 5.835 682 HB ILE 24 HB ILE 24 14.310 8.891 7.325 683 HG12 ILE 24 HG12 ILE 24 16.440 7.784 7.798 684 HG13 ILE 24 HG13 ILE 24 15.390 7.702 9.207 685 HG21 ILE 24 HG21 ILE 24 12.983 6.253 7.936 686 HG22 ILE 24 HG22 ILE 24 12.187 7.721 7.372 687 HG23 ILE 24 HG23 ILE 24 12.933 7.683 8.969 688 HD11 ILE 24 HD11 ILE 24 15.935 5.474 7.249 689 HD12 ILE 24 HD12 ILE 24 14.855 5.370 8.641 690 HD13 ILE 24 HD13 ILE 24 16.586 5.618 8.877 691 H LYS 25 H LYS 25 12.831 6.012 4.533 692 HA LYS 25 HA LYS 25 11.701 8.370 3.235 693 HB2 LYS 25 HB2 LYS 25 11.101 5.450 2.572 694 HB3 LYS 25 HB3 LYS 25 10.699 6.920 1.682 695 HG2 LYS 25 HG2 LYS 25 13.517 6.011 2.127 696 HG3 LYS 25 HG3 LYS 25 12.560 5.628 0.695 697 HD2 LYS 25 HD2 LYS 25 12.997 8.371 1.715 698 HD3 LYS 25 HD3 LYS 25 14.089 7.663 0.504 699 HE2 LYS 25 HE2 LYS 25 11.096 8.201 0.222 700 HE3 LYS 25 HE3 LYS 25 12.384 9.133 -0.520 701 HZ1 LYS 25 HZ1 LYS 25 12.989 7.190 -1.819 702 HZ2 LYS 25 HZ2 LYS 25 11.394 7.610 -2.095 703 HZ3 LYS 25 HZ3 LYS 25 11.737 6.269 -1.174 704 H THR 26 H THR 26 9.494 8.816 3.254 705 HA THR 26 HA THR 26 7.878 7.480 5.348 706 HB THR 26 HB THR 26 8.029 10.426 4.702 707 HG1 THR 26 HG1 THR 26 9.655 8.886 6.058 708 HG21 THR 26 HG21 THR 26 6.730 8.914 6.986 709 HG22 THR 26 HG22 THR 26 5.873 9.650 5.630 710 HG23 THR 26 HG23 THR 26 6.737 10.664 6.788 711 H TYR 27 H TYR 27 6.059 6.802 4.571 712 HA TYR 27 HA TYR 27 5.085 8.046 2.138 713 HD1 TYR 27 HD1 TYR 27 7.702 5.248 2.301 714 HD2 TYR 27 HD2 TYR 27 4.874 6.744 -0.481 715 HE1 TYR 27 HE1 TYR 27 9.477 5.434 0.609 716 HE2 TYR 27 HE2 TYR 27 6.608 6.950 -2.167 717 HH TYR 27 HH TYR 27 9.724 5.561 -1.818 718 HB2 TYR 27 HB2 TYR 27 5.296 5.111 2.708 719 HB3 TYR 27 HB3 TYR 27 4.146 5.750 1.526 720 H THR 28 H THR 28 3.184 8.680 2.098 721 HA THR 28 HA THR 28 1.530 8.039 4.410 722 HB THR 28 HB THR 28 0.512 10.293 4.133 723 HG1 THR 28 HG1 THR 28 1.870 10.145 1.792 724 HG21 THR 28 HG21 THR 28 3.533 10.406 4.246 725 HG22 THR 28 HG22 THR 28 2.475 10.045 5.601 726 HG23 THR 28 HG23 THR 28 2.424 11.640 4.849 727 H ILE 29 H ILE 29 -0.411 7.229 4.001 728 HA ILE 29 HA ILE 29 -1.559 7.600 1.329 729 HB ILE 29 HB ILE 29 -1.503 5.038 2.945 730 HG12 ILE 29 HG12 ILE 29 -0.542 5.716 0.159 731 HG13 ILE 29 HG13 ILE 29 0.459 5.380 1.566 732 HG21 ILE 29 HG21 ILE 29 -2.965 4.011 1.273 733 HG22 ILE 29 HG22 ILE 29 -3.174 5.569 0.476 734 HG23 ILE 29 HG23 ILE 29 -3.778 5.325 2.117 735 HD11 ILE 29 HD11 ILE 29 0.411 3.481 0.072 736 HD12 ILE 29 HD12 ILE 29 -1.350 3.447 0.151 737 HD13 ILE 29 HD13 ILE 29 -0.414 3.086 1.588 738 H THR 30 H THR 30 -3.378 8.633 1.467 739 HA THR 30 HA THR 30 -4.853 8.525 3.964 740 HB THR 30 HB THR 30 -4.305 10.800 3.267 741 HG1 THR 30 HG1 THR 30 -6.205 11.619 3.570 742 HG21 THR 30 HG21 THR 30 -5.713 10.123 0.712 743 HG22 THR 30 HG22 THR 30 -3.988 10.432 0.889 744 HG23 THR 30 HG23 THR 30 -5.151 11.746 1.146 745 H GLU 31 H GLU 31 -6.626 7.437 4.053 746 HA GLU 31 HA GLU 31 -8.047 6.754 1.607 747 HB2 GLU 31 HB2 GLU 31 -6.507 4.925 1.819 748 HB3 GLU 31 HB3 GLU 31 -6.941 4.690 3.505 749 HG2 GLU 31 HG2 GLU 31 -7.959 2.994 2.076 750 HG3 GLU 31 HG3 GLU 31 -9.186 4.003 2.844 751 H GLY 32 H GLY 32 -9.808 7.775 2.136 752 HA2 GLY 32 HA2 GLY 32 -11.986 7.855 2.829 753 HA3 GLY 32 HA3 GLY 32 -11.720 6.322 3.619 754 H SER 33 H SER 33 -10.363 6.618 5.686 755 HA SER 33 HA SER 33 -11.403 8.935 7.185 756 HG SER 33 HG SER 33 -13.322 7.941 6.711 757 HB2 SER 33 HB2 SER 33 -11.725 6.057 7.970 758 HB3 SER 33 HB3 SER 33 -12.237 7.455 8.917 759 H LEU 34 H LEU 34 -8.726 7.043 6.475 760 HA LEU 34 HA LEU 34 -7.424 7.951 8.901 761 HG LEU 34 HG LEU 34 -6.147 4.893 7.081 762 HB2 LEU 34 HB2 LEU 34 -6.311 5.852 9.329 763 HB3 LEU 34 HB3 LEU 34 -8.042 5.557 9.332 764 HD11 LEU 34 HD11 LEU 34 -6.419 2.580 7.850 765 HD12 LEU 34 HD12 LEU 34 -7.349 3.160 9.228 766 HD13 LEU 34 HD13 LEU 34 -5.643 3.593 9.059 767 HD21 LEU 34 HD21 LEU 34 -8.502 5.248 6.438 768 HD22 LEU 34 HD22 LEU 34 -8.984 4.000 7.574 769 HD23 LEU 34 HD23 LEU 34 -7.962 3.610 6.169 770 H ARG 35 H ARG 35 -5.453 8.578 8.567 771 HA ARG 35 HA ARG 35 -4.343 7.951 5.915 772 HE ARG 35 HE ARG 35 -2.022 11.727 7.625 773 HB2 ARG 35 HB2 ARG 35 -4.587 10.404 6.390 774 HB3 ARG 35 HB3 ARG 35 -3.425 10.220 7.703 775 HG2 ARG 35 HG2 ARG 35 -1.735 9.468 6.127 776 HG3 ARG 35 HG3 ARG 35 -2.883 9.606 4.805 777 HD2 ARG 35 HD2 ARG 35 -1.457 11.499 4.784 778 HD3 ARG 35 HD3 ARG 35 -3.066 12.019 5.302 779 HH11 ARG 35 HH11 ARG 35 -0.418 13.063 4.756 780 HH12 ARG 35 HH12 ARG 35 0.700 14.002 5.648 781 HH21 ARG 35 HH21 ARG 35 -0.466 13.046 8.842 782 HH22 ARG 35 HH22 ARG 35 0.657 13.997 8.027 783 H ALA 36 H ALA 36 -2.665 6.683 5.791 784 HA ALA 36 HA ALA 36 -1.435 5.816 8.313 785 HB1 ALA 36 HB1 ALA 36 -2.591 4.087 7.025 786 HB2 ALA 36 HB2 ALA 36 -0.859 3.767 7.130 787 HB3 ALA 36 HB3 ALA 36 -1.547 4.426 5.646 788 H VAL 37 H VAL 37 0.748 5.709 8.534 789 HA VAL 37 HA VAL 37 2.376 6.882 6.391 790 HB VAL 37 HB VAL 37 2.680 7.335 9.375 791 HG11 VAL 37 HG11 VAL 37 4.568 8.789 8.784 792 HG12 VAL 37 HG12 VAL 37 4.395 8.317 7.093 793 HG13 VAL 37 HG13 VAL 37 4.873 7.121 8.296 794 HG21 VAL 37 HG21 VAL 37 0.939 8.701 8.354 795 HG22 VAL 37 HG22 VAL 37 2.112 9.150 7.113 796 HG23 VAL 37 HG23 VAL 37 2.371 9.690 8.772 797 H ILE 38 H ILE 38 3.985 5.691 5.745 798 HA ILE 38 HA ILE 38 4.873 3.416 7.315 799 HB ILE 38 HB ILE 38 4.804 4.081 4.394 800 HG12 ILE 38 HG12 ILE 38 3.754 1.717 5.923 801 HG13 ILE 38 HG13 ILE 38 2.814 3.120 5.420 802 HG21 ILE 38 HG21 ILE 38 6.329 1.794 5.627 803 HG22 ILE 38 HG22 ILE 38 6.996 3.163 4.738 804 HG23 ILE 38 HG23 ILE 38 5.967 2.005 3.901 805 HD11 ILE 38 HD11 ILE 38 3.083 2.643 3.219 806 HD12 ILE 38 HD12 ILE 38 2.559 1.147 3.965 807 HD13 ILE 38 HD13 ILE 38 4.267 1.334 3.484 808 H PHE 39 H PHE 39 6.780 3.651 8.224 809 HA PHE 39 HA PHE 39 8.669 5.586 7.110 810 HD1 PHE 39 HD1 PHE 39 9.388 7.699 8.994 811 HD2 PHE 39 HD2 PHE 39 6.559 4.983 10.630 812 HE1 PHE 39 HE1 PHE 39 8.120 9.594 9.935 813 HE2 PHE 39 HE2 PHE 39 5.291 6.859 11.569 814 HZ PHE 39 HZ PHE 39 6.071 9.175 11.223 815 HB2 PHE 39 HB2 PHE 39 8.631 4.202 9.795 816 HB3 PHE 39 HB3 PHE 39 9.892 5.302 9.258 817 H ILE 40 H ILE 40 10.152 4.861 5.914 818 HA ILE 40 HA ILE 40 10.723 2.029 5.822 819 HB ILE 40 HB ILE 40 11.751 4.359 4.210 820 HG12 ILE 40 HG12 ILE 40 9.399 4.039 3.591 821 HG13 ILE 40 HG13 ILE 40 10.424 3.335 2.355 822 HG21 ILE 40 HG21 ILE 40 12.617 2.663 2.617 823 HG22 ILE 40 HG22 ILE 40 12.264 1.452 3.848 824 HG23 ILE 40 HG23 ILE 40 13.440 2.725 4.181 825 HD11 ILE 40 HD11 ILE 40 9.928 1.130 3.098 826 HD12 ILE 40 HD12 ILE 40 8.423 2.056 2.898 827 HD13 ILE 40 HD13 ILE 40 9.058 1.775 4.502 828 H THR 41 H THR 41 12.237 1.225 7.090 829 HA THR 41 HA THR 41 14.441 2.937 7.946 830 HB THR 41 HB THR 41 14.163 1.992 10.253 831 HG1 THR 41 HG1 THR 41 11.821 1.034 9.037 832 HG21 THR 41 HG21 THR 41 11.864 3.677 9.221 833 HG22 THR 41 HG22 THR 41 13.423 4.289 9.760 834 HG23 THR 41 HG23 THR 41 12.332 3.528 10.916 835 H LYS 42 H LYS 42 16.266 1.796 8.635 836 HA LYS 42 HA LYS 42 16.760 -0.702 7.357 837 HB2 LYS 42 HB2 LYS 42 18.996 -0.634 8.267 838 HB3 LYS 42 HB3 LYS 42 18.580 0.987 7.725 839 HG2 LYS 42 HG2 LYS 42 18.472 0.033 10.584 840 HG3 LYS 42 HG3 LYS 42 19.836 0.893 9.877 841 HD2 LYS 42 HD2 LYS 42 18.487 2.863 9.570 842 HD3 LYS 42 HD3 LYS 42 17.029 1.969 10.002 843 HE2 LYS 42 HE2 LYS 42 17.731 3.337 11.817 844 HE3 LYS 42 HE3 LYS 42 17.817 1.616 12.171 845 HZ1 LYS 42 HZ1 LYS 42 20.198 1.672 11.923 846 HZ2 LYS 42 HZ2 LYS 42 19.746 2.878 13.010 847 HZ3 LYS 42 HZ3 LYS 42 20.160 3.286 11.434 848 H ARG 43 H ARG 43 15.392 0.051 10.400 849 HA ARG 43 HA ARG 43 16.169 -2.485 11.608 850 HE ARG 43 HE ARG 43 14.959 -1.794 15.312 851 HB2 ARG 43 HB2 ARG 43 14.305 -0.308 12.563 852 HB3 ARG 43 HB3 ARG 43 14.524 -1.795 13.447 853 HG2 ARG 43 HG2 ARG 43 16.947 -1.218 13.649 854 HG3 ARG 43 HG3 ARG 43 16.569 0.331 12.896 855 HD2 ARG 43 HD2 ARG 43 16.620 0.536 15.341 856 HD3 ARG 43 HD3 ARG 43 15.005 0.845 14.713 857 HH11 ARG 43 HH11 ARG 43 15.751 1.094 17.222 858 HH12 ARG 43 HH12 ARG 43 15.281 0.427 18.702 859 HH21 ARG 43 HH21 ARG 43 14.286 -2.722 17.365 860 HH22 ARG 43 HH22 ARG 43 14.413 -1.810 18.790 861 H GLY 44 H GLY 44 13.852 -1.266 9.608 862 HA2 GLY 44 HA2 GLY 44 12.704 -3.484 8.682 863 HA3 GLY 44 HA3 GLY 44 11.963 -3.378 10.261 864 H LEU 45 H LEU 45 10.292 -2.312 10.480 865 HA LEU 45 HA LEU 45 9.492 -0.286 8.506 866 HG LEU 45 HG LEU 45 6.464 -0.567 8.904 867 HB2 LEU 45 HB2 LEU 45 8.537 -2.459 7.825 868 HB3 LEU 45 HB3 LEU 45 7.794 -2.620 9.399 869 HD11 LEU 45 HD11 LEU 45 7.656 -0.903 6.168 870 HD12 LEU 45 HD12 LEU 45 7.813 0.488 7.250 871 HD13 LEU 45 HD13 LEU 45 6.243 0.073 6.548 872 HD21 LEU 45 HD21 LEU 45 4.877 -1.669 7.422 873 HD22 LEU 45 HD22 LEU 45 5.465 -2.814 8.618 874 HD23 LEU 45 HD23 LEU 45 6.081 -2.851 6.964 875 H LYS 46 H LYS 46 8.346 1.392 9.480 876 HA LYS 46 HA LYS 46 7.034 0.721 11.956 877 HB2 LYS 46 HB2 LYS 46 8.920 2.061 12.749 878 HB3 LYS 46 HB3 LYS 46 8.571 3.328 11.577 879 HG2 LYS 46 HG2 LYS 46 6.487 3.861 12.670 880 HG3 LYS 46 HG3 LYS 46 6.648 2.481 13.741 881 HD2 LYS 46 HD2 LYS 46 8.482 3.465 14.820 882 HD3 LYS 46 HD3 LYS 46 8.510 4.843 13.683 883 HE2 LYS 46 HE2 LYS 46 6.281 5.495 14.497 884 HE3 LYS 46 HE3 LYS 46 6.259 4.095 15.570 885 HZ1 LYS 46 HZ1 LYS 46 8.152 6.377 15.738 886 HZ2 LYS 46 HZ2 LYS 46 8.136 5.030 16.747 887 HZ3 LYS 46 HZ3 LYS 46 6.853 6.117 16.777 888 H VAL 47 H VAL 47 5.131 1.633 12.281 889 HA VAL 47 HA VAL 47 4.043 2.920 9.895 890 HB VAL 47 HB VAL 47 3.532 0.495 9.980 891 HG11 VAL 47 HG11 VAL 47 2.002 1.196 12.476 892 HG12 VAL 47 HG12 VAL 47 3.392 0.119 12.346 893 HG13 VAL 47 HG13 VAL 47 1.852 -0.327 11.608 894 HG21 VAL 47 HG21 VAL 47 2.088 1.980 8.753 895 HG22 VAL 47 HG22 VAL 47 1.198 2.372 10.225 896 HG23 VAL 47 HG23 VAL 47 1.108 0.746 9.542 897 H CYS 48 H CYS 48 2.617 4.489 10.261 898 HA CYS 48 HA CYS 48 1.675 4.879 12.990 899 HB2 CYS 48 HB2 CYS 48 2.916 6.936 11.203 900 HB3 CYS 48 HB3 CYS 48 1.740 7.410 12.431 901 H ALA 49 H ALA 49 -0.331 5.472 13.253 902 HA ALA 49 HA ALA 49 -1.928 5.735 10.782 903 HB1 ALA 49 HB1 ALA 49 -3.803 4.836 12.048 904 HB2 ALA 49 HB2 ALA 49 -2.786 4.717 13.485 905 HB3 ALA 49 HB3 ALA 49 -2.436 3.720 12.074 906 H ASP 50 H ASP 50 -2.755 7.644 10.473 907 HA ASP 50 HA ASP 50 -3.338 9.400 12.744 908 HB2 ASP 50 HB2 ASP 50 -1.773 10.372 11.091 909 HB3 ASP 50 HB3 ASP 50 -2.932 10.056 9.809 910 HA PRO 51 HA PRO 51 -7.355 8.353 11.067 911 HB2 PRO 51 HB2 PRO 51 -8.669 7.998 13.354 912 HB3 PRO 51 HB3 PRO 51 -7.589 6.751 12.723 913 HG2 PRO 51 HG2 PRO 51 -7.163 8.660 14.963 914 HG3 PRO 51 HG3 PRO 51 -6.571 7.005 14.772 915 HD2 PRO 51 HD2 PRO 51 -5.113 9.363 14.258 916 HD3 PRO 51 HD3 PRO 51 -4.662 7.719 13.773 917 H GLN 52 H GLN 52 -8.574 9.896 10.418 918 HA GLN 52 HA GLN 52 -9.970 11.651 10.250 919 HB2 GLN 52 HB2 GLN 52 -10.151 11.399 13.220 920 HB3 GLN 52 HB3 GLN 52 -11.338 12.138 12.145 921 HG2 GLN 52 HG2 GLN 52 -11.662 10.009 11.035 922 HG3 GLN 52 HG3 GLN 52 -10.464 9.280 12.072 923 HE21 GLN 52 HE21 GLN 52 -10.972 8.912 14.289 924 HE22 GLN 52 HE22 GLN 52 -12.563 8.981 14.885 925 H ALA 53 H ALA 53 -7.010 12.220 11.653 926 HA ALA 53 HA ALA 53 -7.525 14.893 12.615 927 HB1 ALA 53 HB1 ALA 53 -5.146 14.970 13.052 928 HB2 ALA 53 HB2 ALA 53 -4.930 13.482 12.150 929 HB3 ALA 53 HB3 ALA 53 -5.822 13.458 13.689 930 H THR 54 H THR 54 -5.395 13.526 10.153 931 HA THR 54 HA THR 54 -5.154 16.058 8.882 932 HB THR 54 HB THR 54 -3.867 14.740 7.154 933 HG1 THR 54 HG1 THR 54 -4.332 12.595 8.995 934 HG21 THR 54 HG21 THR 54 -2.749 15.839 9.032 935 HG22 THR 54 HG22 THR 54 -1.969 14.307 8.650 936 HG23 THR 54 HG23 THR 54 -3.043 14.422 10.043 937 H TRP 55 H TRP 55 -5.364 15.960 6.406 938 HA TRP 55 HA TRP 55 -8.149 15.718 5.891 939 HD1 TRP 55 HD1 TRP 55 -5.052 18.697 4.797 940 HE1 TRP 55 HE1 TRP 55 -6.179 20.897 5.543 941 HE3 TRP 55 HE3 TRP 55 -9.932 17.152 4.826 942 HZ2 TRP 55 HZ2 TRP 55 -8.780 21.840 6.078 943 HZ3 TRP 55 HZ3 TRP 55 -11.673 18.759 5.470 944 HH2 TRP 55 HH2 TRP 55 -11.109 21.056 6.083 945 HB2 TRP 55 HB2 TRP 55 -5.889 16.388 4.000 946 HB3 TRP 55 HB3 TRP 55 -7.578 16.328 3.510 947 H VAL 56 H VAL 56 -9.139 13.934 5.631 948 HA VAL 56 HA VAL 56 -7.762 11.734 4.345 949 HB VAL 56 HB VAL 56 -9.553 10.283 5.259 950 HG11 VAL 56 HG11 VAL 56 -7.502 10.597 6.529 951 HG12 VAL 56 HG12 VAL 56 -8.881 10.425 7.618 952 HG13 VAL 56 HG13 VAL 56 -8.196 12.019 7.319 953 HG21 VAL 56 HG21 VAL 56 -11.120 11.178 6.936 954 HG22 VAL 56 HG22 VAL 56 -11.377 11.916 5.356 955 HG23 VAL 56 HG23 VAL 56 -10.525 12.809 6.615 956 H ARG 57 H ARG 57 -8.494 10.760 2.559 957 HA ARG 57 HA ARG 57 -10.998 11.664 1.417 958 HE ARG 57 HE ARG 57 -9.034 12.022 -2.527 959 HB2 ARG 57 HB2 ARG 57 -9.934 11.899 -0.822 960 HB3 ARG 57 HB3 ARG 57 -9.402 13.112 0.334 961 HG2 ARG 57 HG2 ARG 57 -7.324 11.888 0.666 962 HG3 ARG 57 HG3 ARG 57 -7.876 10.634 -0.436 963 HD2 ARG 57 HD2 ARG 57 -7.411 13.528 -1.164 964 HD3 ARG 57 HD3 ARG 57 -6.312 12.195 -1.514 965 HH11 ARG 57 HH11 ARG 57 -5.615 12.659 -3.241 966 HH12 ARG 57 HH12 ARG 57 -5.788 12.440 -4.920 967 HH21 ARG 57 HH21 ARG 57 -9.251 11.728 -4.848 968 HH22 ARG 57 HH22 ARG 57 -7.872 11.929 -5.842 969 H ASP 58 H ASP 58 -12.053 10.122 0.361 970 HA ASP 58 HA ASP 58 -11.116 7.402 0.691 971 HB2 ASP 58 HB2 ASP 58 -13.488 8.091 1.102 972 HB3 ASP 58 HB3 ASP 58 -13.628 8.507 -0.596 973 H VAL 59 H VAL 59 -9.860 6.433 -0.847 974 HA VAL 59 HA VAL 59 -9.986 7.664 -3.464 975 HB VAL 59 HB VAL 59 -7.620 6.881 -3.800 976 HG11 VAL 59 HG11 VAL 59 -8.168 9.217 -3.334 977 HG12 VAL 59 HG12 VAL 59 -6.663 8.780 -2.523 978 HG13 VAL 59 HG13 VAL 59 -8.166 8.880 -1.604 979 HG21 VAL 59 HG21 VAL 59 -7.477 5.252 -2.002 980 HG22 VAL 59 HG22 VAL 59 -7.720 6.529 -0.806 981 HG23 VAL 59 HG23 VAL 59 -6.254 6.503 -1.788 982 H VAL 60 H VAL 60 -11.053 6.606 -4.799 983 HA VAL 60 HA VAL 60 -11.964 5.017 -6.071 984 HB VAL 60 HB VAL 60 -9.284 3.623 -5.766 985 HG11 VAL 60 HG11 VAL 60 -9.748 2.672 -7.968 986 HG12 VAL 60 HG12 VAL 60 -11.323 3.464 -7.978 987 HG13 VAL 60 HG13 VAL 60 -10.976 2.204 -6.793 988 HG21 VAL 60 HG21 VAL 60 -10.135 5.712 -7.768 989 HG22 VAL 60 HG22 VAL 60 -8.600 4.839 -7.769 990 HG23 VAL 60 HG23 VAL 60 -8.985 5.940 -6.450 Start of MODEL 14 1 HA VAL 1 HA VAL 1 6.055 -5.396 20.469 2 HB VAL 1 HB VAL 1 6.856 -8.319 20.256 3 H1 VAL 1 H1 VAL 1 7.512 -6.816 18.311 4 H2 VAL 1 H2 VAL 1 7.258 -5.147 18.432 5 H3 VAL 1 H3 VAL 1 5.950 -6.169 18.213 6 HG11 VAL 1 HG11 VAL 1 6.912 -7.525 22.555 7 HG12 VAL 1 HG12 VAL 1 5.557 -8.626 22.317 8 HG13 VAL 1 HG13 VAL 1 5.278 -6.887 22.387 9 HG21 VAL 1 HG21 VAL 1 4.439 -8.784 20.156 10 HG22 VAL 1 HG22 VAL 1 4.998 -7.843 18.772 11 HG23 VAL 1 HG23 VAL 1 4.126 -7.051 20.085 12 H GLY 2 H GLY 2 9.046 -6.830 19.257 13 HA2 GLY 2 HA2 GLY 2 11.107 -5.883 19.983 14 HA3 GLY 2 HA3 GLY 2 10.438 -5.785 21.617 15 H SER 3 H SER 3 9.165 -8.446 20.478 16 HA SER 3 HA SER 3 11.086 -10.131 21.823 17 HG SER 3 HG SER 3 9.245 -9.543 23.035 18 HB2 SER 3 HB2 SER 3 8.341 -10.753 20.720 19 HB3 SER 3 HB3 SER 3 9.298 -11.771 21.800 20 H GLU 4 H GLU 4 9.915 -9.339 18.654 21 HA GLU 4 HA GLU 4 11.221 -11.634 17.513 22 HB2 GLU 4 HB2 GLU 4 10.167 -10.912 15.375 23 HB3 GLU 4 HB3 GLU 4 8.992 -11.228 16.627 24 HG2 GLU 4 HG2 GLU 4 9.918 -8.465 15.805 25 HG3 GLU 4 HG3 GLU 4 8.488 -9.254 15.168 26 H VAL 5 H VAL 5 13.296 -11.404 17.249 27 HA VAL 5 HA VAL 5 14.456 -8.773 16.853 28 HB VAL 5 HB VAL 5 15.824 -11.477 17.051 29 HG11 VAL 5 HG11 VAL 5 17.213 -9.894 15.833 30 HG12 VAL 5 HG12 VAL 5 17.891 -10.200 17.433 31 HG13 VAL 5 HG13 VAL 5 17.007 -8.704 17.119 32 HG21 VAL 5 HG21 VAL 5 14.681 -10.851 19.122 33 HG22 VAL 5 HG22 VAL 5 15.508 -9.294 19.105 34 HG23 VAL 5 HG23 VAL 5 16.433 -10.775 19.320 35 H SER 6 H SER 6 14.129 -11.799 15.079 36 HA SER 6 HA SER 6 14.432 -10.285 12.655 37 HG SER 6 HG SER 6 16.302 -12.814 14.396 38 HB2 SER 6 HB2 SER 6 15.928 -12.071 11.678 39 HB3 SER 6 HB3 SER 6 16.679 -11.103 12.944 40 H ASP 7 H ASP 7 12.365 -10.485 12.147 41 HA ASP 7 HA ASP 7 11.253 -13.191 11.900 42 HB2 ASP 7 HB2 ASP 7 10.081 -11.504 13.396 43 HB3 ASP 7 HB3 ASP 7 9.780 -10.540 11.960 44 H LYS 8 H LYS 8 9.859 -13.458 9.926 45 HA LYS 8 HA LYS 8 11.297 -12.472 7.602 46 HB2 LYS 8 HB2 LYS 8 8.875 -14.249 7.801 47 HB3 LYS 8 HB3 LYS 8 9.732 -13.871 6.312 48 HG2 LYS 8 HG2 LYS 8 11.743 -14.910 7.198 49 HG3 LYS 8 HG3 LYS 8 10.896 -15.270 8.700 50 HD2 LYS 8 HD2 LYS 8 9.320 -16.681 7.460 51 HD3 LYS 8 HD3 LYS 8 10.177 -16.313 5.961 52 HE2 LYS 8 HE2 LYS 8 12.204 -17.331 6.854 53 HE3 LYS 8 HE3 LYS 8 11.385 -17.661 8.371 54 HZ1 LYS 8 HZ1 LYS 8 10.676 -18.802 5.730 55 HZ2 LYS 8 HZ2 LYS 8 9.849 -19.082 7.167 56 HZ3 LYS 8 HZ3 LYS 8 11.432 -19.615 7.002 57 H ARG 9 H ARG 9 7.920 -12.236 8.577 58 HA ARG 9 HA ARG 9 7.826 -9.648 7.254 59 HE ARG 9 HE ARG 9 5.403 -10.317 3.608 60 HB2 ARG 9 HB2 ARG 9 5.753 -11.764 6.828 61 HB3 ARG 9 HB3 ARG 9 5.821 -10.124 6.206 62 HG2 ARG 9 HG2 ARG 9 7.618 -10.566 4.760 63 HG3 ARG 9 HG3 ARG 9 7.943 -12.123 5.512 64 HD2 ARG 9 HD2 ARG 9 6.789 -12.390 3.385 65 HD3 ARG 9 HD3 ARG 9 5.839 -12.960 4.766 66 HH11 ARG 9 HH11 ARG 9 4.129 -13.546 4.449 67 HH12 ARG 9 HH12 ARG 9 2.514 -13.110 4.124 68 HH21 ARG 9 HH21 ARG 9 3.112 -9.788 3.203 69 HH22 ARG 9 HH22 ARG 9 1.927 -10.976 3.442 70 H THR 10 H THR 10 7.038 -8.392 8.822 71 HA THR 10 HA THR 10 5.438 -9.715 10.849 72 HB THR 10 HB THR 10 6.918 -7.108 11.150 73 HG1 THR 10 HG1 THR 10 7.798 -9.829 11.235 74 HG21 THR 10 HG21 THR 10 6.804 -7.761 13.509 75 HG22 THR 10 HG22 THR 10 6.043 -9.282 12.997 76 HG23 THR 10 HG23 THR 10 5.182 -7.764 12.769 77 H CYS 11 H CYS 11 3.368 -8.982 11.259 78 HA CYS 11 HA CYS 11 2.523 -6.470 9.973 79 HB2 CYS 11 HB2 CYS 11 0.902 -8.992 10.416 80 HB3 CYS 11 HB3 CYS 11 0.287 -7.489 9.764 81 H VAL 12 H VAL 12 1.144 -5.232 11.185 82 HA VAL 12 HA VAL 12 0.115 -6.112 13.787 83 HB VAL 12 HB VAL 12 1.905 -3.629 13.579 84 HG11 VAL 12 HG11 VAL 12 0.332 -4.624 15.959 85 HG12 VAL 12 HG12 VAL 12 -0.023 -3.175 15.029 86 HG13 VAL 12 HG13 VAL 12 1.465 -3.273 15.976 87 HG21 VAL 12 HG21 VAL 12 2.210 -6.101 15.275 88 HG22 VAL 12 HG22 VAL 12 3.306 -4.713 15.249 89 HG23 VAL 12 HG23 VAL 12 3.134 -5.737 13.823 90 H SER 13 H SER 13 -1.729 -4.954 14.512 91 HA SER 13 HA SER 13 -2.785 -3.085 12.529 92 HG SER 13 HG SER 13 -5.044 -2.906 12.592 93 HB2 SER 13 HB2 SER 13 -4.017 -5.279 12.738 94 HB3 SER 13 HB3 SER 13 -4.369 -4.862 14.413 95 H LEU 14 H LEU 14 -3.661 -1.190 13.254 96 HA LEU 14 HA LEU 14 -2.868 -0.369 15.955 97 HG LEU 14 HG LEU 14 -1.263 2.190 13.675 98 HB2 LEU 14 HB2 LEU 14 -3.514 1.243 13.495 99 HB3 LEU 14 HB3 LEU 14 -3.181 1.936 15.058 100 HD11 LEU 14 HD11 LEU 14 0.433 1.111 15.005 101 HD12 LEU 14 HD12 LEU 14 -0.792 0.026 15.679 102 HD13 LEU 14 HD13 LEU 14 -0.895 1.756 15.984 103 HD21 LEU 14 HD21 LEU 14 -1.663 0.419 12.057 104 HD22 LEU 14 HD22 LEU 14 -1.321 -0.794 13.284 105 HD23 LEU 14 HD23 LEU 14 -0.031 0.281 12.726 106 H THR 15 H THR 15 -4.345 0.184 17.395 107 HA THR 15 HA THR 15 -7.097 0.295 16.526 108 HB THR 15 HB THR 15 -7.511 0.126 19.023 109 HG1 THR 15 HG1 THR 15 -5.871 -0.112 20.346 110 HG21 THR 15 HG21 THR 15 -5.870 -2.065 17.739 111 HG22 THR 15 HG22 THR 15 -7.609 -1.844 17.560 112 HG23 THR 15 HG23 THR 15 -6.929 -2.267 19.132 113 H THR 16 H THR 16 -7.709 2.254 16.007 114 HA THR 16 HA THR 16 -7.115 4.522 17.746 115 HB THR 16 HB THR 16 -6.946 5.865 15.592 116 HG1 THR 16 HG1 THR 16 -5.833 3.981 14.129 117 HG21 THR 16 HG21 THR 16 -4.758 3.886 16.186 118 HG22 THR 16 HG22 THR 16 -4.988 5.435 17.011 119 HG23 THR 16 HG23 THR 16 -4.554 5.391 15.298 120 H GLN 17 H GLN 17 -8.489 6.442 16.830 121 HA GLN 17 HA GLN 17 -11.248 5.762 16.824 122 HB2 GLN 17 HB2 GLN 17 -10.458 7.910 17.667 123 HB3 GLN 17 HB3 GLN 17 -9.761 8.308 16.114 124 HG2 GLN 17 HG2 GLN 17 -11.799 9.567 16.537 125 HG3 GLN 17 HG3 GLN 17 -11.982 8.506 15.148 126 HE21 GLN 17 HE21 GLN 17 -13.402 6.832 15.255 127 HE22 GLN 17 HE22 GLN 17 -14.563 6.651 16.518 128 H ARG 18 H ARG 18 -11.839 4.425 15.096 129 HA ARG 18 HA ARG 18 -11.171 5.470 12.424 130 HE ARG 18 HE ARG 18 -10.088 0.930 14.565 131 HB2 ARG 18 HB2 ARG 18 -10.548 3.393 11.587 132 HB3 ARG 18 HB3 ARG 18 -9.922 3.303 13.221 133 HG2 ARG 18 HG2 ARG 18 -12.485 1.998 12.222 134 HG3 ARG 18 HG3 ARG 18 -10.921 1.233 12.496 135 HD2 ARG 18 HD2 ARG 18 -12.332 2.617 14.742 136 HD3 ARG 18 HD3 ARG 18 -12.812 0.989 14.281 137 HH11 ARG 18 HH11 ARG 18 -12.751 1.784 16.697 138 HH12 ARG 18 HH12 ARG 18 -12.099 1.079 18.095 139 HH21 ARG 18 HH21 ARG 18 -9.160 -0.070 16.448 140 HH22 ARG 18 HH22 ARG 18 -9.944 0.026 17.971 141 H LEU 19 H LEU 19 -12.731 5.237 10.800 142 HA LEU 19 HA LEU 19 -15.442 4.825 11.679 143 HG LEU 19 HG LEU 19 -15.484 7.255 10.421 144 HB2 LEU 19 HB2 LEU 19 -14.409 4.949 8.816 145 HB3 LEU 19 HB3 LEU 19 -16.073 5.034 9.302 146 HD11 LEU 19 HD11 LEU 19 -13.084 7.035 10.490 147 HD12 LEU 19 HD12 LEU 19 -13.544 8.427 9.507 148 HD13 LEU 19 HD13 LEU 19 -13.018 6.934 8.731 149 HD21 LEU 19 HD21 LEU 19 -16.756 7.117 8.360 150 HD22 LEU 19 HD22 LEU 19 -15.263 6.999 7.427 151 HD23 LEU 19 HD23 LEU 19 -15.639 8.480 8.305 152 HA PRO 20 HA PRO 20 -15.221 0.415 11.026 153 HB2 PRO 20 HB2 PRO 20 -17.904 -0.014 10.455 154 HB3 PRO 20 HB3 PRO 20 -17.232 0.049 12.089 155 HG2 PRO 20 HG2 PRO 20 -18.710 2.124 10.560 156 HG3 PRO 20 HG3 PRO 20 -18.718 1.786 12.296 157 HD2 PRO 20 HD2 PRO 20 -17.356 3.844 11.141 158 HD3 PRO 20 HD3 PRO 20 -16.843 3.078 12.668 159 H VAL 21 H VAL 21 -14.813 -0.703 9.265 160 HA VAL 21 HA VAL 21 -15.608 0.419 6.661 161 HB VAL 21 HB VAL 21 -12.962 -0.928 7.327 162 HG11 VAL 21 HG11 VAL 21 -12.255 -0.196 5.101 163 HG12 VAL 21 HG12 VAL 21 -13.876 0.428 4.796 164 HG13 VAL 21 HG13 VAL 21 -13.624 -1.301 5.021 165 HG21 VAL 21 HG21 VAL 21 -11.948 1.283 7.002 166 HG22 VAL 21 HG22 VAL 21 -13.091 1.278 8.347 167 HG23 VAL 21 HG23 VAL 21 -13.555 1.979 6.798 168 H SER 22 H SER 22 -16.288 -0.977 5.113 169 HA SER 22 HA SER 22 -16.938 -3.641 6.031 170 HG SER 22 HG SER 22 -18.881 -1.122 4.938 171 HB2 SER 22 HB2 SER 22 -17.765 -2.170 3.526 172 HB3 SER 22 HB3 SER 22 -18.435 -3.697 4.100 173 H ARG 23 H ARG 23 -15.531 -2.204 3.049 174 HA ARG 23 HA ARG 23 -14.418 -4.810 2.379 175 HE ARG 23 HE ARG 23 -18.075 -4.255 -0.633 176 HB2 ARG 23 HB2 ARG 23 -14.457 -2.229 0.791 177 HB3 ARG 23 HB3 ARG 23 -13.645 -3.685 0.258 178 HG2 ARG 23 HG2 ARG 23 -15.732 -3.511 -0.891 179 HG3 ARG 23 HG3 ARG 23 -15.850 -4.845 0.249 180 HD2 ARG 23 HD2 ARG 23 -17.059 -3.368 1.803 181 HD3 ARG 23 HD3 ARG 23 -16.976 -2.067 0.615 182 HH11 ARG 23 HH11 ARG 23 -18.956 -1.912 1.882 183 HH12 ARG 23 HH12 ARG 23 -20.626 -2.198 1.758 184 HH21 ARG 23 HH21 ARG 23 -20.422 -4.611 -0.789 185 HH22 ARG 23 HH22 ARG 23 -21.468 -3.751 0.242 186 H ILE 24 H ILE 24 -12.333 -5.287 2.438 187 HA ILE 24 HA ILE 24 -10.703 -3.531 4.053 188 HB ILE 24 HB ILE 24 -10.062 -6.256 2.897 189 HG12 ILE 24 HG12 ILE 24 -11.983 -6.422 4.384 190 HG13 ILE 24 HG13 ILE 24 -10.577 -7.132 5.163 191 HG21 ILE 24 HG21 ILE 24 -8.301 -6.351 4.614 192 HG22 ILE 24 HG22 ILE 24 -8.681 -4.691 5.077 193 HG23 ILE 24 HG23 ILE 24 -8.049 -5.038 3.467 194 HD11 ILE 24 HD11 ILE 24 -11.747 -4.410 5.727 195 HD12 ILE 24 HD12 ILE 24 -10.322 -5.101 6.505 196 HD13 ILE 24 HD13 ILE 24 -11.903 -5.847 6.733 197 H LYS 25 H LYS 25 -9.347 -2.117 3.215 198 HA LYS 25 HA LYS 25 -8.682 -2.311 0.388 199 HB2 LYS 25 HB2 LYS 25 -8.187 -0.063 2.346 200 HB3 LYS 25 HB3 LYS 25 -7.468 -0.109 0.755 201 HG2 LYS 25 HG2 LYS 25 -9.374 1.309 0.685 202 HG3 LYS 25 HG3 LYS 25 -9.718 -0.153 -0.229 203 HD2 LYS 25 HD2 LYS 25 -10.953 -1.015 1.746 204 HD3 LYS 25 HD3 LYS 25 -10.689 0.545 2.534 205 HE2 LYS 25 HE2 LYS 25 -12.051 0.095 -0.079 206 HE3 LYS 25 HE3 LYS 25 -12.894 0.423 1.444 207 HZ1 LYS 25 HZ1 LYS 25 -12.691 2.445 0.080 208 HZ2 LYS 25 HZ2 LYS 25 -11.038 2.257 -0.010 209 HZ3 LYS 25 HZ3 LYS 25 -11.757 2.644 1.450 210 H THR 26 H THR 26 -6.623 -2.135 -0.389 211 HA THR 26 HA THR 26 -4.418 -2.940 1.416 212 HB THR 26 HB THR 26 -5.078 -4.147 -1.292 213 HG1 THR 26 HG1 THR 26 -5.853 -4.762 1.234 214 HG21 THR 26 HG21 THR 26 -2.654 -4.033 -0.791 215 HG22 THR 26 HG22 THR 26 -3.233 -5.699 -0.776 216 HG23 THR 26 HG23 THR 26 -2.943 -4.850 0.742 217 H TYR 27 H TYR 27 -2.781 -1.701 1.191 218 HA TYR 27 HA TYR 27 -2.396 -0.313 -1.331 219 HD1 TYR 27 HD1 TYR 27 -4.712 0.808 1.496 220 HD2 TYR 27 HD2 TYR 27 -2.599 2.638 -1.686 221 HE1 TYR 27 HE1 TYR 27 -6.790 1.883 0.745 222 HE2 TYR 27 HE2 TYR 27 -4.625 3.699 -2.463 223 HH TYR 27 HH TYR 27 -7.552 3.683 -0.575 224 HB2 TYR 27 HB2 TYR 27 -2.262 0.875 1.429 225 HB3 TYR 27 HB3 TYR 27 -1.431 1.597 0.044 226 H THR 28 H THR 28 -0.558 -0.472 -2.145 227 HA THR 28 HA THR 28 1.471 -1.750 -0.489 228 HB THR 28 HB THR 28 2.322 -2.916 -2.552 229 HG1 THR 28 HG1 THR 28 0.170 -1.474 -3.642 230 HG21 THR 28 HG21 THR 28 0.498 -4.530 -2.760 231 HG22 THR 28 HG22 THR 28 -0.621 -3.370 -2.053 232 HG23 THR 28 HG23 THR 28 0.662 -4.052 -1.069 233 H ILE 29 H ILE 29 3.407 -0.829 -0.344 234 HA ILE 29 HA ILE 29 4.236 1.038 -2.432 235 HB ILE 29 HB ILE 29 4.460 1.482 0.553 236 HG12 ILE 29 HG12 ILE 29 3.175 3.080 -1.664 237 HG13 ILE 29 HG13 ILE 29 2.351 2.187 -0.396 238 HG21 ILE 29 HG21 ILE 29 5.828 3.083 -1.625 239 HG22 ILE 29 HG22 ILE 29 6.611 2.042 -0.434 240 HG23 ILE 29 HG23 ILE 29 5.781 3.495 0.094 241 HD11 ILE 29 HD11 ILE 29 2.292 4.518 0.083 242 HD12 ILE 29 HD12 ILE 29 4.052 4.636 -0.068 243 HD13 ILE 29 HD13 ILE 29 3.337 3.710 1.253 244 H THR 30 H THR 30 6.099 0.515 -3.278 245 HA THR 30 HA THR 30 7.796 -1.292 -1.774 246 HB THR 30 HB THR 30 7.153 -2.161 -3.979 247 HG1 THR 30 HG1 THR 30 9.869 -1.304 -3.956 248 HG21 THR 30 HG21 THR 30 8.449 0.322 -5.133 249 HG22 THR 30 HG22 THR 30 6.717 -0.033 -5.133 250 HG23 THR 30 HG23 THR 30 7.817 -1.050 -6.054 251 H GLU 31 H GLU 31 9.709 -0.635 -1.115 252 HA GLU 31 HA GLU 31 10.849 1.779 -2.233 253 HB2 GLU 31 HB2 GLU 31 9.608 2.573 -0.316 254 HB3 GLU 31 HB3 GLU 31 10.279 1.306 0.698 255 HG2 GLU 31 HG2 GLU 31 11.261 3.544 1.088 256 HG3 GLU 31 HG3 GLU 31 12.438 2.313 0.635 257 H GLY 32 H GLY 32 12.614 0.983 -3.052 258 HA2 GLY 32 HA2 GLY 32 14.714 0.100 -3.138 259 HA3 GLY 32 HA3 GLY 32 14.690 0.053 -1.379 260 H SER 33 H SER 33 14.190 -1.788 -0.356 261 HA SER 33 HA SER 33 13.840 -4.134 -2.084 262 HG SER 33 HG SER 33 15.988 -3.243 -1.977 263 HB2 SER 33 HB2 SER 33 15.422 -3.996 0.477 264 HB3 SER 33 HB3 SER 33 15.258 -5.396 -0.588 265 H LEU 34 H LEU 34 12.165 -2.312 0.120 266 HA LEU 34 HA LEU 34 10.898 -4.750 1.091 267 HG LEU 34 HG LEU 34 10.083 -1.327 2.377 268 HB2 LEU 34 HB2 LEU 34 10.144 -3.698 3.145 269 HB3 LEU 34 HB3 LEU 34 11.890 -3.623 3.050 270 HD11 LEU 34 HD11 LEU 34 10.587 -0.516 4.675 271 HD12 LEU 34 HD12 LEU 34 11.425 -2.028 5.007 272 HD13 LEU 34 HD13 LEU 34 9.687 -2.030 4.703 273 HD21 LEU 34 HD21 LEU 34 12.409 -1.225 1.558 274 HD22 LEU 34 HD22 LEU 34 12.991 -1.377 3.225 275 HD23 LEU 34 HD23 LEU 34 12.023 0.018 2.729 276 H ARG 35 H ARG 35 8.843 -4.975 1.056 277 HA ARG 35 HA ARG 35 7.305 -2.872 -0.288 278 HE ARG 35 HE ARG 35 7.830 -7.371 -0.918 279 HB2 ARG 35 HB2 ARG 35 6.726 -5.852 -0.105 280 HB3 ARG 35 HB3 ARG 35 5.629 -4.677 -0.794 281 HG2 ARG 35 HG2 ARG 35 6.693 -5.813 -2.587 282 HG3 ARG 35 HG3 ARG 35 7.377 -4.194 -2.536 283 HD2 ARG 35 HD2 ARG 35 9.111 -5.859 -2.942 284 HD3 ARG 35 HD3 ARG 35 9.353 -5.098 -1.370 285 HH11 ARG 35 HH11 ARG 35 11.049 -6.746 -2.204 286 HH12 ARG 35 HH12 ARG 35 11.711 -8.177 -1.581 287 HH21 ARG 35 HH21 ARG 35 8.673 -9.258 -0.137 288 HH22 ARG 35 HH22 ARG 35 10.337 -9.679 -0.349 289 H ALA 36 H ALA 36 5.971 -1.801 0.952 290 HA ALA 36 HA ALA 36 5.219 -2.968 3.527 291 HB1 ALA 36 HB1 ALA 36 4.727 -0.653 4.195 292 HB2 ALA 36 HB2 ALA 36 5.186 -0.098 2.587 293 HB3 ALA 36 HB3 ALA 36 6.395 -0.824 3.651 294 H VAL 37 H VAL 37 3.167 -3.488 3.870 295 HA VAL 37 HA VAL 37 1.215 -2.586 1.868 296 HB VAL 37 HB VAL 37 1.263 -5.290 3.249 297 HG11 VAL 37 HG11 VAL 37 -0.678 -5.829 1.850 298 HG12 VAL 37 HG12 VAL 37 -0.670 -4.186 1.207 299 HG13 VAL 37 HG13 VAL 37 -1.030 -4.463 2.910 300 HG21 VAL 37 HG21 VAL 37 1.494 -6.122 0.952 301 HG22 VAL 37 HG22 VAL 37 2.899 -5.153 1.473 302 HG23 VAL 37 HG23 VAL 37 1.653 -4.448 0.428 303 H ILE 38 H ILE 38 -0.595 -1.750 2.559 304 HA ILE 38 HA ILE 38 -1.086 -1.671 5.426 305 HB ILE 38 HB ILE 38 -1.474 0.299 3.211 306 HG12 ILE 38 HG12 ILE 38 -0.086 0.515 5.854 307 HG13 ILE 38 HG13 ILE 38 0.693 0.210 4.299 308 HG21 ILE 38 HG21 ILE 38 -3.525 0.338 4.466 309 HG22 ILE 38 HG22 ILE 38 -2.560 1.791 4.762 310 HG23 ILE 38 HG23 ILE 38 -2.626 0.511 5.983 311 HD11 ILE 38 HD11 ILE 38 -0.932 2.646 4.953 312 HD12 ILE 38 HD12 ILE 38 -0.088 2.208 3.466 313 HD13 ILE 38 HD13 ILE 38 0.848 2.534 4.947 314 H PHE 39 H PHE 39 -2.949 -2.436 6.067 315 HA PHE 39 HA PHE 39 -5.059 -2.945 4.086 316 HD1 PHE 39 HD1 PHE 39 -5.563 -5.751 3.420 317 HD2 PHE 39 HD2 PHE 39 -2.334 -5.328 6.155 318 HE1 PHE 39 HE1 PHE 39 -4.282 -7.423 2.156 319 HE2 PHE 39 HE2 PHE 39 -1.046 -7.000 4.896 320 HZ PHE 39 HZ PHE 39 -2.024 -8.053 2.892 321 HB2 PHE 39 HB2 PHE 39 -4.477 -4.439 6.661 322 HB3 PHE 39 HB3 PHE 39 -5.866 -4.720 5.627 323 H ILE 40 H ILE 40 -6.680 -1.714 4.306 324 HA ILE 40 HA ILE 40 -7.033 -0.284 6.822 325 HB ILE 40 HB ILE 40 -8.570 0.050 4.234 326 HG12 ILE 40 HG12 ILE 40 -6.264 0.761 3.686 327 HG13 ILE 40 HG13 ILE 40 -7.216 2.179 4.050 328 HG21 ILE 40 HG21 ILE 40 -9.822 0.831 6.130 329 HG22 ILE 40 HG22 ILE 40 -9.270 2.215 5.185 330 HG23 ILE 40 HG23 ILE 40 -8.453 1.780 6.691 331 HD11 ILE 40 HD11 ILE 40 -6.274 2.387 6.186 332 HD12 ILE 40 HD12 ILE 40 -5.020 2.274 4.943 333 HD13 ILE 40 HD13 ILE 40 -5.356 0.887 5.968 334 H THR 41 H THR 41 -8.326 -1.098 8.261 335 HA THR 41 HA THR 41 -10.267 -3.136 7.375 336 HB THR 41 HB THR 41 -9.801 -4.326 9.493 337 HG1 THR 41 HG1 THR 41 -7.624 -2.533 9.771 338 HG21 THR 41 HG21 THR 41 -7.306 -3.777 7.866 339 HG22 THR 41 HG22 THR 41 -8.534 -4.973 7.464 340 HG23 THR 41 HG23 THR 41 -7.558 -5.166 8.918 341 H LYS 42 H LYS 42 -11.807 -3.632 9.303 342 HA LYS 42 HA LYS 42 -13.210 -1.268 10.031 343 HB2 LYS 42 HB2 LYS 42 -14.698 -2.845 11.283 344 HB3 LYS 42 HB3 LYS 42 -14.463 -3.298 9.608 345 HG2 LYS 42 HG2 LYS 42 -14.426 -5.304 10.915 346 HG3 LYS 42 HG3 LYS 42 -12.772 -5.005 10.396 347 HD2 LYS 42 HD2 LYS 42 -12.364 -3.955 12.652 348 HD3 LYS 42 HD3 LYS 42 -13.972 -4.495 13.124 349 HE2 LYS 42 HE2 LYS 42 -11.729 -6.238 12.190 350 HE3 LYS 42 HE3 LYS 42 -12.135 -5.973 13.873 351 HZ1 LYS 42 HZ1 LYS 42 -13.885 -7.293 11.834 352 HZ2 LYS 42 HZ2 LYS 42 -14.366 -6.940 13.397 353 HZ3 LYS 42 HZ3 LYS 42 -13.125 -8.047 13.135 354 H ARG 43 H ARG 43 -10.604 -2.923 11.310 355 HA ARG 43 HA ARG 43 -10.991 -2.174 14.095 356 HE ARG 43 HE ARG 43 -7.464 -4.613 16.796 357 HB2 ARG 43 HB2 ARG 43 -10.101 -4.396 13.401 358 HB3 ARG 43 HB3 ARG 43 -8.733 -3.590 12.669 359 HG2 ARG 43 HG2 ARG 43 -8.003 -2.833 14.877 360 HG3 ARG 43 HG3 ARG 43 -9.397 -3.639 15.609 361 HD2 ARG 43 HD2 ARG 43 -8.641 -5.770 14.675 362 HD3 ARG 43 HD3 ARG 43 -7.242 -4.953 13.982 363 HH11 ARG 43 HH11 ARG 43 -6.418 -6.830 14.271 364 HH12 ARG 43 HH12 ARG 43 -5.226 -7.622 15.200 365 HH21 ARG 43 HH21 ARG 43 -5.839 -5.710 18.138 366 HH22 ARG 43 HH22 ARG 43 -4.913 -6.965 17.473 367 H GLY 44 H GLY 44 -9.744 -1.033 11.251 368 HA2 GLY 44 HA2 GLY 44 -9.222 1.402 11.358 369 HA3 GLY 44 HA3 GLY 44 -8.111 0.984 12.653 370 H LEU 45 H LEU 45 -6.203 0.545 12.174 371 HA LEU 45 HA LEU 45 -5.463 0.397 9.317 372 HG LEU 45 HG LEU 45 -2.391 0.643 9.906 373 HB2 LEU 45 HB2 LEU 45 -4.736 2.465 10.388 374 HB3 LEU 45 HB3 LEU 45 -3.923 1.563 11.643 375 HD11 LEU 45 HD11 LEU 45 -3.805 0.889 7.985 376 HD12 LEU 45 HD12 LEU 45 -2.272 1.735 7.741 377 HD13 LEU 45 HD13 LEU 45 -3.734 2.644 8.130 378 HD21 LEU 45 HD21 LEU 45 -2.425 3.659 10.196 379 HD22 LEU 45 HD22 LEU 45 -1.067 2.715 9.616 380 HD23 LEU 45 HD23 LEU 45 -1.589 2.519 11.262 381 H LYS 46 H LYS 46 -4.069 -1.206 8.674 382 HA LYS 46 HA LYS 46 -2.537 -2.541 10.699 383 HB2 LYS 46 HB2 LYS 46 -4.420 -4.066 10.420 384 HB3 LYS 46 HB3 LYS 46 -4.212 -4.047 8.672 385 HG2 LYS 46 HG2 LYS 46 -2.067 -5.144 8.864 386 HG3 LYS 46 HG3 LYS 46 -2.141 -5.048 10.616 387 HD2 LYS 46 HD2 LYS 46 -3.951 -6.483 10.692 388 HD3 LYS 46 HD3 LYS 46 -4.092 -6.561 8.906 389 HE2 LYS 46 HE2 LYS 46 -1.819 -7.570 8.887 390 HE3 LYS 46 HE3 LYS 46 -1.813 -7.536 10.648 391 HZ1 LYS 46 HZ1 LYS 46 -3.751 -9.027 10.602 392 HZ2 LYS 46 HZ2 LYS 46 -2.408 -9.700 9.865 393 HZ3 LYS 46 HZ3 LYS 46 -3.644 -9.111 8.918 394 H VAL 47 H VAL 47 -0.657 -3.314 10.016 395 HA VAL 47 HA VAL 47 0.098 -2.484 7.325 396 HB VAL 47 HB VAL 47 0.786 -0.814 9.059 397 HG11 VAL 47 HG11 VAL 47 2.727 -1.345 10.495 398 HG12 VAL 47 HG12 VAL 47 2.560 -3.032 10.026 399 HG13 VAL 47 HG13 VAL 47 1.264 -2.246 10.922 400 HG21 VAL 47 HG21 VAL 47 1.930 -0.904 6.945 401 HG22 VAL 47 HG22 VAL 47 2.977 -2.196 7.527 402 HG23 VAL 47 HG23 VAL 47 3.105 -0.573 8.216 403 H CYS 48 H CYS 48 1.461 -3.808 6.330 404 HA CYS 48 HA CYS 48 2.616 -6.011 7.835 405 HB2 CYS 48 HB2 CYS 48 1.156 -6.116 5.226 406 HB3 CYS 48 HB3 CYS 48 2.360 -7.333 5.654 407 H ALA 49 H ALA 49 4.592 -6.546 7.366 408 HA ALA 49 HA ALA 49 5.930 -4.850 5.376 409 HB1 ALA 49 HB1 ALA 49 7.079 -6.220 7.799 410 HB2 ALA 49 HB2 ALA 49 6.682 -4.505 7.651 411 HB3 ALA 49 HB3 ALA 49 7.967 -5.200 6.661 412 H ASP 50 H ASP 50 6.623 -5.877 3.670 413 HA ASP 50 HA ASP 50 7.416 -8.688 3.815 414 HB2 ASP 50 HB2 ASP 50 5.300 -8.539 2.608 415 HB3 ASP 50 HB3 ASP 50 5.939 -7.265 1.579 416 HA PRO 51 HA PRO 51 10.973 -6.360 2.096 417 HB2 PRO 51 HB2 PRO 51 12.653 -6.926 4.030 418 HB3 PRO 51 HB3 PRO 51 11.373 -5.735 4.281 419 HG2 PRO 51 HG2 PRO 51 11.673 -8.414 5.458 420 HG3 PRO 51 HG3 PRO 51 10.669 -7.055 5.985 421 HD2 PRO 51 HD2 PRO 51 9.913 -9.377 4.384 422 HD3 PRO 51 HD3 PRO 51 8.878 -8.136 5.129 423 H GLN 52 H GLN 52 12.406 -6.956 0.774 424 HA GLN 52 HA GLN 52 14.255 -7.952 -0.015 425 HB2 GLN 52 HB2 GLN 52 14.059 -9.562 2.512 426 HB3 GLN 52 HB3 GLN 52 15.493 -9.407 1.489 427 HG2 GLN 52 HG2 GLN 52 15.696 -7.097 1.936 428 HG3 GLN 52 HG3 GLN 52 14.090 -7.015 2.615 429 HE21 GLN 52 HE21 GLN 52 16.328 -9.595 3.482 430 HE22 GLN 52 HE22 GLN 52 16.610 -9.003 5.065 431 H ALA 53 H ALA 53 15.222 -10.268 -0.365 432 HA ALA 53 HA ALA 53 15.211 -12.258 -1.305 433 HB1 ALA 53 HB1 ALA 53 13.698 -12.949 0.510 434 HB2 ALA 53 HB2 ALA 53 13.440 -13.844 -0.986 435 HB3 ALA 53 HB3 ALA 53 12.323 -12.556 -0.524 436 H THR 54 H THR 54 12.015 -10.905 -2.196 437 HA THR 54 HA THR 54 12.634 -11.894 -4.856 438 HB THR 54 HB THR 54 10.158 -11.653 -5.307 439 HG1 THR 54 HG1 THR 54 8.893 -11.008 -3.726 440 HG21 THR 54 HG21 THR 54 11.055 -13.529 -3.106 441 HG22 THR 54 HG22 THR 54 11.230 -13.821 -4.836 442 HG23 THR 54 HG23 THR 54 9.624 -13.746 -4.111 443 H TRP 55 H TRP 55 10.342 -9.282 -4.165 444 HA TRP 55 HA TRP 55 11.239 -8.058 -6.596 445 HD1 TRP 55 HD1 TRP 55 10.588 -6.528 -8.146 446 HE1 TRP 55 HE1 TRP 55 9.473 -4.402 -9.150 447 HE3 TRP 55 HE3 TRP 55 6.922 -5.828 -4.685 448 HZ2 TRP 55 HZ2 TRP 55 7.326 -2.697 -8.540 449 HZ3 TRP 55 HZ3 TRP 55 5.366 -3.941 -4.964 450 HH2 TRP 55 HH2 TRP 55 5.568 -2.410 -6.851 451 HB2 TRP 55 HB2 TRP 55 8.844 -8.320 -6.127 452 HB3 TRP 55 HB3 TRP 55 8.995 -7.247 -4.743 453 H VAL 56 H VAL 56 12.832 -6.713 -6.685 454 HA VAL 56 HA VAL 56 13.203 -4.802 -4.512 455 HB VAL 56 HB VAL 56 15.103 -6.376 -4.685 456 HG11 VAL 56 HG11 VAL 56 14.957 -7.005 -7.005 457 HG12 VAL 56 HG12 VAL 56 16.578 -6.410 -6.642 458 HG13 VAL 56 HG13 VAL 56 15.430 -5.381 -7.505 459 HG21 VAL 56 HG21 VAL 56 15.590 -4.110 -3.951 460 HG22 VAL 56 HG22 VAL 56 15.815 -3.598 -5.624 461 HG23 VAL 56 HG23 VAL 56 16.939 -4.747 -4.897 462 H ARG 57 H ARG 57 13.210 -2.686 -5.044 463 HA ARG 57 HA ARG 57 13.483 -1.892 -7.776 464 HE ARG 57 HE ARG 57 9.615 1.450 -9.224 465 HB2 ARG 57 HB2 ARG 57 11.092 -2.482 -7.618 466 HB3 ARG 57 HB3 ARG 57 10.907 -1.390 -6.264 467 HG2 ARG 57 HG2 ARG 57 11.283 0.517 -7.693 468 HG3 ARG 57 HG3 ARG 57 11.666 -0.543 -9.055 469 HD2 ARG 57 HD2 ARG 57 9.424 -1.446 -9.033 470 HD3 ARG 57 HD3 ARG 57 9.029 -0.500 -7.605 471 HH11 ARG 57 HH11 ARG 57 7.886 -1.520 -10.130 472 HH12 ARG 57 HH12 ARG 57 6.841 -0.744 -11.225 473 HH21 ARG 57 HH21 ARG 57 8.180 2.510 -10.710 474 HH22 ARG 57 HH22 ARG 57 7.000 1.622 -11.557 475 H ASP 58 H ASP 58 15.146 -0.694 -7.324 476 HA ASP 58 HA ASP 58 15.293 1.023 -4.988 477 HB2 ASP 58 HB2 ASP 58 17.232 -0.328 -5.574 478 HB3 ASP 58 HB3 ASP 58 17.282 0.388 -7.177 479 H VAL 59 H VAL 59 14.517 1.253 -8.282 480 HA VAL 59 HA VAL 59 15.231 3.994 -8.711 481 HB VAL 59 HB VAL 59 13.882 3.835 -10.786 482 HG11 VAL 59 HG11 VAL 59 15.222 2.087 -11.878 483 HG12 VAL 59 HG12 VAL 59 15.755 1.525 -10.291 484 HG13 VAL 59 HG13 VAL 59 16.183 3.141 -10.846 485 HG21 VAL 59 HG21 VAL 59 12.092 2.387 -9.990 486 HG22 VAL 59 HG22 VAL 59 13.230 1.061 -9.785 487 HG23 VAL 59 HG23 VAL 59 12.873 1.671 -11.402 488 H VAL 60 H VAL 60 13.250 3.210 -6.479 489 HA VAL 60 HA VAL 60 10.851 4.678 -7.164 490 HB VAL 60 HB VAL 60 11.744 3.662 -4.448 491 HG11 VAL 60 HG11 VAL 60 10.089 5.438 -4.281 492 HG12 VAL 60 HG12 VAL 60 9.385 3.890 -3.822 493 HG13 VAL 60 HG13 VAL 60 9.035 4.582 -5.405 494 HG21 VAL 60 HG21 VAL 60 9.882 2.406 -6.468 495 HG22 VAL 60 HG22 VAL 60 10.191 1.807 -4.836 496 HG23 VAL 60 HG23 VAL 60 11.492 1.835 -6.026 497 HA VAL 1 HA VAL 1 -0.658 -2.973 20.201 498 HB VAL 1 HB VAL 1 -1.248 -1.649 22.870 499 H1 VAL 1 H1 VAL 1 -2.383 -0.704 20.846 500 HG11 VAL 1 HG11 VAL 1 -0.786 -4.014 23.134 501 HG12 VAL 1 HG12 VAL 1 0.554 -3.055 23.757 502 HG13 VAL 1 HG13 VAL 1 0.693 -3.846 22.187 503 HG21 VAL 1 HG21 VAL 1 1.086 -0.868 22.802 504 HG22 VAL 1 HG22 VAL 1 0.124 -0.201 21.483 505 HG23 VAL 1 HG23 VAL 1 1.242 -1.531 21.174 506 H GLY 2 H GLY 2 -3.572 -1.817 21.784 507 HA2 GLY 2 HA2 GLY 2 -5.505 -3.390 21.370 508 HA3 GLY 2 HA3 GLY 2 -4.472 -4.600 22.144 509 H SER 3 H SER 3 -3.405 -2.283 23.767 510 HA SER 3 HA SER 3 -5.018 -2.613 26.066 511 HG SER 3 HG SER 3 -1.508 -2.060 26.445 512 HB2 SER 3 HB2 SER 3 -2.917 -0.532 25.446 513 HB3 SER 3 HB3 SER 3 -3.443 -1.052 27.049 514 H GLU 4 H GLU 4 -4.650 -0.259 23.529 515 HA GLU 4 HA GLU 4 -6.757 1.396 24.627 516 HB2 GLU 4 HB2 GLU 4 -6.085 3.039 22.877 517 HB3 GLU 4 HB3 GLU 4 -4.787 2.662 23.985 518 HG2 GLU 4 HG2 GLU 4 -5.052 1.497 21.206 519 HG3 GLU 4 HG3 GLU 4 -4.076 2.900 21.606 520 H VAL 5 H VAL 5 -8.674 1.516 23.655 521 HA VAL 5 HA VAL 5 -9.292 -0.492 21.666 522 HB VAL 5 HB VAL 5 -11.103 1.628 22.876 523 HG11 VAL 5 HG11 VAL 5 -12.942 0.169 22.171 524 HG12 VAL 5 HG12 VAL 5 -11.782 -0.914 21.404 525 HG13 VAL 5 HG13 VAL 5 -11.982 0.728 20.799 526 HG21 VAL 5 HG21 VAL 5 -11.907 -0.140 24.365 527 HG22 VAL 5 HG22 VAL 5 -10.190 0.190 24.611 528 HG23 VAL 5 HG23 VAL 5 -10.695 -1.240 23.706 529 H SER 6 H SER 6 -9.324 2.994 21.991 530 HA SER 6 HA SER 6 -8.753 3.279 19.218 531 HG SER 6 HG SER 6 -12.394 4.712 20.255 532 HB2 SER 6 HB2 SER 6 -10.654 4.924 18.909 533 HB3 SER 6 HB3 SER 6 -11.134 3.236 19.024 534 H ASP 7 H ASP 7 -6.868 4.221 19.681 535 HA ASP 7 HA ASP 7 -6.823 6.523 21.481 536 HB2 ASP 7 HB2 ASP 7 -5.062 4.787 21.696 537 HB3 ASP 7 HB3 ASP 7 -4.576 5.076 20.033 538 H LYS 8 H LYS 8 -5.365 8.398 20.551 539 HA LYS 8 HA LYS 8 -6.709 9.406 18.239 540 HB2 LYS 8 HB2 LYS 8 -4.242 10.440 19.625 541 HB3 LYS 8 HB3 LYS 8 -5.141 11.300 18.386 542 HG2 LYS 8 HG2 LYS 8 -7.112 11.299 19.887 543 HG3 LYS 8 HG3 LYS 8 -6.102 10.532 21.122 544 HD2 LYS 8 HD2 LYS 8 -4.601 12.436 21.104 545 HD3 LYS 8 HD3 LYS 8 -5.564 13.204 19.840 546 HE2 LYS 8 HE2 LYS 8 -7.493 13.237 21.365 547 HE3 LYS 8 HE3 LYS 8 -6.485 12.530 22.628 548 HZ1 LYS 8 HZ1 LYS 8 -6.051 15.158 21.325 549 HZ2 LYS 8 HZ2 LYS 8 -5.073 14.504 22.543 550 HZ3 LYS 8 HZ3 LYS 8 -6.681 14.919 22.856 551 H ARG 9 H ARG 9 -3.207 8.933 18.606 552 HA ARG 9 HA ARG 9 -3.231 7.945 15.862 553 HE ARG 9 HE ARG 9 -1.382 10.737 13.613 554 HB2 ARG 9 HB2 ARG 9 -1.249 9.992 16.872 555 HB3 ARG 9 HB3 ARG 9 -1.363 9.256 15.272 556 HG2 ARG 9 HG2 ARG 9 -3.428 10.313 14.831 557 HG3 ARG 9 HG3 ARG 9 -3.501 10.967 16.464 558 HD2 ARG 9 HD2 ARG 9 -2.730 12.644 14.896 559 HD3 ARG 9 HD3 ARG 9 -1.465 12.205 16.060 560 HH11 ARG 9 HH11 ARG 9 -0.289 13.693 15.216 561 HH12 ARG 9 HH12 ARG 9 1.048 13.928 14.185 562 HH21 ARG 9 HH21 ARG 9 0.463 11.112 12.149 563 HH22 ARG 9 HH22 ARG 9 1.484 12.443 12.447 564 H THR 10 H THR 10 -2.462 5.902 16.159 565 HA THR 10 HA THR 10 -0.320 5.589 18.072 566 HB THR 10 HB THR 10 -0.808 3.139 17.857 567 HG1 THR 10 HG1 THR 10 -3.016 2.771 17.139 568 HG21 THR 10 HG21 THR 10 -2.847 3.244 19.272 569 HG22 THR 10 HG22 THR 10 -2.986 4.955 18.849 570 HG23 THR 10 HG23 THR 10 -1.589 4.377 19.758 571 H CYS 11 H CYS 11 1.524 4.470 17.553 572 HA CYS 11 HA CYS 11 1.970 3.954 14.707 573 HB2 CYS 11 HB2 CYS 11 3.894 5.284 16.631 574 HB3 CYS 11 HB3 CYS 11 4.240 4.865 14.963 575 H VAL 12 H VAL 12 3.413 2.261 14.423 576 HA VAL 12 HA VAL 12 4.640 0.958 16.761 577 HB VAL 12 HB VAL 12 2.825 -0.603 14.841 578 HG11 VAL 12 HG11 VAL 12 4.562 -1.679 17.072 579 HG12 VAL 12 HG12 VAL 12 4.834 -1.917 15.347 580 HG13 VAL 12 HG13 VAL 12 3.417 -2.620 16.121 581 HG21 VAL 12 HG21 VAL 12 1.561 -1.217 16.844 582 HG22 VAL 12 HG22 VAL 12 1.610 0.533 16.644 583 HG23 VAL 12 HG23 VAL 12 2.648 -0.247 17.835 584 H SER 13 H SER 13 6.522 -0.144 16.395 585 HA SER 13 HA SER 13 7.595 0.111 13.698 586 HG SER 13 HG SER 13 10.525 -0.776 15.095 587 HB2 SER 13 HB2 SER 13 8.843 1.374 15.406 588 HB3 SER 13 HB3 SER 13 9.023 -0.094 16.372 589 H LEU 14 H LEU 14 8.333 -1.634 12.719 590 HA LEU 14 HA LEU 14 7.805 -4.247 13.929 591 HG LEU 14 HG LEU 14 5.855 -4.362 10.694 592 HB2 LEU 14 HB2 LEU 14 8.131 -3.447 11.040 593 HB3 LEU 14 HB3 LEU 14 7.911 -5.084 11.594 594 HD11 LEU 14 HD11 LEU 14 5.698 -5.686 12.664 595 HD12 LEU 14 HD12 LEU 14 4.338 -4.557 12.557 596 HD13 LEU 14 HD13 LEU 14 5.681 -4.234 13.662 597 HD21 LEU 14 HD21 LEU 14 6.189 -1.956 10.749 598 HD22 LEU 14 HD22 LEU 14 5.999 -1.954 12.500 599 HD23 LEU 14 HD23 LEU 14 4.627 -2.378 11.466 600 H THR 15 H THR 15 9.553 -5.321 14.612 601 HA THR 15 HA THR 15 12.064 -4.689 13.358 602 HB THR 15 HB THR 15 12.901 -6.296 15.209 603 HG1 THR 15 HG1 THR 15 11.317 -7.230 16.194 604 HG21 THR 15 HG21 THR 15 11.572 -3.688 15.982 605 HG22 THR 15 HG22 THR 15 13.200 -3.864 15.322 606 HG23 THR 15 HG23 THR 15 12.815 -4.519 16.915 607 H THR 16 H THR 16 12.486 -5.751 11.666 608 HA THR 16 HA THR 16 11.566 -8.532 11.329 609 HB THR 16 HB THR 16 11.789 -6.336 9.234 610 HG1 THR 16 HG1 THR 16 9.642 -7.228 10.844 611 HG21 THR 16 HG21 THR 16 11.884 -8.600 8.292 612 HG22 THR 16 HG22 THR 16 10.365 -7.795 7.896 613 HG23 THR 16 HG23 THR 16 10.406 -9.021 9.169 614 H GLN 17 H GLN 17 13.005 -9.746 9.688 615 HA GLN 17 HA GLN 17 15.800 -9.302 10.108 616 HB2 GLN 17 HB2 GLN 17 14.852 -11.569 9.725 617 HB3 GLN 17 HB3 GLN 17 14.327 -11.077 8.127 618 HG2 GLN 17 HG2 GLN 17 16.316 -12.466 8.014 619 HG3 GLN 17 HG3 GLN 17 16.646 -10.840 7.427 620 HE21 GLN 17 HE21 GLN 17 18.102 -9.552 8.552 621 HE22 GLN 17 HE22 GLN 17 19.069 -10.170 9.854 622 H ARG 18 H ARG 18 16.745 -7.608 9.205 623 HA ARG 18 HA ARG 18 15.695 -6.719 6.640 624 HE ARG 18 HE ARG 18 15.538 -4.138 5.685 625 HB2 ARG 18 HB2 ARG 18 16.134 -5.203 9.110 626 HB3 ARG 18 HB3 ARG 18 16.233 -4.476 7.484 627 HG2 ARG 18 HG2 ARG 18 13.850 -6.026 8.431 628 HG3 ARG 18 HG3 ARG 18 14.026 -4.283 8.678 629 HD2 ARG 18 HD2 ARG 18 13.937 -5.776 6.054 630 HD3 ARG 18 HD3 ARG 18 12.818 -4.536 6.631 631 HH11 ARG 18 HH11 ARG 18 12.492 -2.688 6.683 632 HH12 ARG 18 HH12 ARG 18 13.032 -1.092 6.474 633 HH21 ARG 18 HH21 ARG 18 16.262 -1.997 5.400 634 HH22 ARG 18 HH22 ARG 18 15.198 -0.683 5.700 635 H LEU 19 H LEU 19 16.864 -5.823 5.232 636 HA LEU 19 HA LEU 19 19.750 -5.703 5.316 637 HG LEU 19 HG LEU 19 17.455 -6.940 3.379 638 HB2 LEU 19 HB2 LEU 19 17.802 -4.519 3.326 639 HB3 LEU 19 HB3 LEU 19 19.514 -4.780 3.093 640 HD11 LEU 19 HD11 LEU 19 18.821 -5.870 0.910 641 HD12 LEU 19 HD12 LEU 19 17.116 -5.717 1.357 642 HD13 LEU 19 HD13 LEU 19 17.771 -7.301 0.994 643 HD21 LEU 19 HD21 LEU 19 20.377 -7.066 2.656 644 HD22 LEU 19 HD22 LEU 19 19.241 -8.427 2.628 645 HD23 LEU 19 HD23 LEU 19 19.618 -7.624 4.152 646 HA PRO 20 HA PRO 20 19.479 -1.539 7.058 647 HB2 PRO 20 HB2 PRO 20 22.233 -1.195 6.107 648 HB3 PRO 20 HB3 PRO 20 21.607 -1.125 7.756 649 HG2 PRO 20 HG2 PRO 20 23.123 -3.159 6.886 650 HG3 PRO 20 HG3 PRO 20 21.835 -3.386 8.077 651 HD2 PRO 20 HD2 PRO 20 21.827 -4.046 5.152 652 HD3 PRO 20 HD3 PRO 20 21.099 -4.881 6.547 653 H VAL 21 H VAL 21 18.901 0.235 6.207 654 HA VAL 21 HA VAL 21 19.503 0.842 3.389 655 HB VAL 21 HB VAL 21 17.020 1.637 4.983 656 HG11 VAL 21 HG11 VAL 21 17.704 2.195 2.096 657 HG12 VAL 21 HG12 VAL 21 17.633 3.384 3.397 658 HG13 VAL 21 HG13 VAL 21 16.165 2.551 2.883 659 HG21 VAL 21 HG21 VAL 21 17.033 -0.705 4.312 660 HG22 VAL 21 HG22 VAL 21 17.341 -0.229 2.646 661 HG23 VAL 21 HG23 VAL 21 15.815 0.203 3.417 662 H SER 22 H SER 22 20.338 2.805 2.921 663 HA SER 22 HA SER 22 21.617 4.144 5.097 664 HG SER 22 HG SER 22 22.513 2.651 3.484 665 HB2 SER 22 HB2 SER 22 21.669 4.729 2.145 666 HB3 SER 22 HB3 SER 22 22.798 5.339 3.362 667 H ARG 23 H ARG 23 18.743 4.777 3.232 668 HA ARG 23 HA ARG 23 18.650 7.427 4.504 669 HE ARG 23 HE ARG 23 17.509 11.367 2.866 670 HB2 ARG 23 HB2 ARG 23 19.101 7.362 1.966 671 HB3 ARG 23 HB3 ARG 23 17.430 6.854 1.812 672 HG2 ARG 23 HG2 ARG 23 17.571 9.219 1.429 673 HG3 ARG 23 HG3 ARG 23 16.753 8.949 2.976 674 HD2 ARG 23 HD2 ARG 23 18.801 9.420 4.192 675 HD3 ARG 23 HD3 ARG 23 19.699 9.552 2.685 676 HH11 ARG 23 HH11 ARG 23 20.904 10.888 3.891 677 HH12 ARG 23 HH12 ARG 23 21.251 12.538 3.944 678 HH21 ARG 23 HH21 ARG 23 18.055 13.680 2.937 679 HH22 ARG 23 HH22 ARG 23 19.628 14.145 3.385 680 H ILE 24 H ILE 24 16.681 7.984 5.418 681 HA ILE 24 HA ILE 24 14.795 5.794 5.782 682 HB ILE 24 HB ILE 24 14.981 8.524 7.088 683 HG12 ILE 24 HG12 ILE 24 16.938 7.192 7.636 684 HG13 ILE 24 HG13 ILE 24 15.895 7.322 9.047 685 HG21 ILE 24 HG21 ILE 24 13.292 6.151 7.884 686 HG22 ILE 24 HG22 ILE 24 12.712 7.677 7.219 687 HG23 ILE 24 HG23 ILE 24 13.470 7.644 8.810 688 HD11 ILE 24 HD11 ILE 24 16.095 4.932 7.222 689 HD12 ILE 24 HD12 ILE 24 15.088 5.080 8.669 690 HD13 ILE 24 HD13 ILE 24 16.844 5.104 8.811 691 H LYS 25 H LYS 25 12.682 5.870 5.042 692 HA LYS 25 HA LYS 25 11.948 8.309 3.584 693 HB2 LYS 25 HB2 LYS 25 11.271 5.482 2.748 694 HB3 LYS 25 HB3 LYS 25 10.449 6.889 2.113 695 HG2 LYS 25 HG2 LYS 25 12.080 6.235 0.530 696 HG3 LYS 25 HG3 LYS 25 12.659 7.711 1.296 697 HD2 LYS 25 HD2 LYS 25 14.059 6.297 2.787 698 HD3 LYS 25 HD3 LYS 25 13.552 4.891 1.845 699 HE2 LYS 25 HE2 LYS 25 14.903 7.321 0.807 700 HE3 LYS 25 HE3 LYS 25 15.729 5.783 1.131 701 HZ1 LYS 25 HZ1 LYS 25 15.245 5.949 -1.215 702 HZ2 LYS 25 HZ2 LYS 25 13.640 6.342 -0.922 703 HZ3 LYS 25 HZ3 LYS 25 14.160 4.801 -0.626 704 H THR 26 H THR 26 9.784 8.797 3.375 705 HA THR 26 HA THR 26 7.940 7.693 5.438 706 HB THR 26 HB THR 26 8.460 10.623 4.833 707 HG1 THR 26 HG1 THR 26 9.640 8.890 6.463 708 HG21 THR 26 HG21 THR 26 6.679 9.299 6.901 709 HG22 THR 26 HG22 THR 26 6.113 10.129 5.452 710 HG23 THR 26 HG23 THR 26 6.931 11.037 6.724 711 H TYR 27 H TYR 27 6.130 7.111 4.576 712 HA TYR 27 HA TYR 27 5.275 8.396 2.103 713 HD1 TYR 27 HD1 TYR 27 7.721 5.489 2.405 714 HD2 TYR 27 HD2 TYR 27 4.995 6.901 -0.520 715 HE1 TYR 27 HE1 TYR 27 9.503 5.406 0.717 716 HE2 TYR 27 HE2 TYR 27 6.739 6.843 -2.211 717 HH TYR 27 HH TYR 27 9.818 5.344 -1.618 718 HB2 TYR 27 HB2 TYR 27 5.297 5.480 2.768 719 HB3 TYR 27 HB3 TYR 27 4.199 6.137 1.554 720 H THR 28 H THR 28 3.277 8.928 1.909 721 HA THR 28 HA THR 28 1.607 8.488 4.261 722 HB THR 28 HB THR 28 0.534 10.698 3.710 723 HG1 THR 28 HG1 THR 28 2.171 10.455 1.550 724 HG21 THR 28 HG21 THR 28 3.511 10.747 4.258 725 HG22 THR 28 HG22 THR 28 2.218 10.658 5.469 726 HG23 THR 28 HG23 THR 28 2.422 12.104 4.501 727 H ILE 29 H ILE 29 -0.274 7.525 3.963 728 HA ILE 29 HA ILE 29 -1.486 7.506 1.293 729 HB ILE 29 HB ILE 29 -1.205 5.245 3.279 730 HG12 ILE 29 HG12 ILE 29 -0.605 5.411 0.327 731 HG13 ILE 29 HG13 ILE 29 0.582 5.625 1.606 732 HG21 ILE 29 HG21 ILE 29 -2.733 3.880 1.892 733 HG22 ILE 29 HG22 ILE 29 -3.101 5.293 0.910 734 HG23 ILE 29 HG23 ILE 29 -3.561 5.258 2.608 735 HD11 ILE 29 HD11 ILE 29 0.549 3.389 0.511 736 HD12 ILE 29 HD12 ILE 29 -1.023 3.103 1.336 737 HD13 ILE 29 HD13 ILE 29 0.441 3.455 2.250 738 H THR 30 H THR 30 -3.494 8.270 1.247 739 HA THR 30 HA THR 30 -4.843 8.469 3.810 740 HB THR 30 HB THR 30 -4.305 10.689 2.896 741 HG1 THR 30 HG1 THR 30 -6.553 11.455 2.722 742 HG21 THR 30 HG21 THR 30 -6.000 9.896 0.521 743 HG22 THR 30 HG22 THR 30 -4.258 10.173 0.500 744 HG23 THR 30 HG23 THR 30 -5.361 11.513 0.823 745 H GLU 31 H GLU 31 -6.689 7.449 4.021 746 HA GLU 31 HA GLU 31 -8.109 6.532 1.648 747 HB2 GLU 31 HB2 GLU 31 -6.815 4.627 2.329 748 HB3 GLU 31 HB3 GLU 31 -7.252 4.850 4.008 749 HG2 GLU 31 HG2 GLU 31 -8.339 2.927 2.843 750 HG3 GLU 31 HG3 GLU 31 -9.466 4.031 3.620 751 H GLY 32 H GLY 32 -9.724 7.861 1.782 752 HA2 GLY 32 HA2 GLY 32 -11.849 8.533 2.363 753 HA3 GLY 32 HA3 GLY 32 -11.813 7.353 3.665 754 H SER 33 H SER 33 -10.518 7.930 5.499 755 HA SER 33 HA SER 33 -10.219 10.783 6.012 756 HG SER 33 HG SER 33 -10.947 11.546 7.976 757 HB2 SER 33 HB2 SER 33 -12.559 10.151 6.646 758 HB3 SER 33 HB3 SER 33 -11.897 8.963 7.763 759 H LEU 34 H LEU 34 -8.972 7.698 6.083 760 HA LEU 34 HA LEU 34 -7.652 7.979 8.604 761 HG LEU 34 HG LEU 34 -5.991 5.400 7.481 762 HB2 LEU 34 HB2 LEU 34 -8.760 5.982 8.365 763 HB3 LEU 34 HB3 LEU 34 -8.248 5.757 6.703 764 HD11 LEU 34 HD11 LEU 34 -5.565 4.907 9.893 765 HD12 LEU 34 HD12 LEU 34 -7.230 5.370 10.245 766 HD13 LEU 34 HD13 LEU 34 -6.090 6.576 9.649 767 HD21 LEU 34 HD21 LEU 34 -7.467 3.561 7.010 768 HD22 LEU 34 HD22 LEU 34 -8.038 3.554 8.673 769 HD23 LEU 34 HD23 LEU 34 -6.361 3.127 8.331 770 H ARG 35 H ARG 35 -5.755 8.818 8.571 771 HA ARG 35 HA ARG 35 -4.145 8.839 6.097 772 HE ARG 35 HE ARG 35 -3.989 12.513 6.297 773 HB2 ARG 35 HB2 ARG 35 -4.519 10.950 7.365 774 HB3 ARG 35 HB3 ARG 35 -3.679 10.234 8.726 775 HG2 ARG 35 HG2 ARG 35 -2.120 11.637 7.665 776 HG3 ARG 35 HG3 ARG 35 -1.686 9.992 7.188 777 HD2 ARG 35 HD2 ARG 35 -1.581 11.477 5.277 778 HD3 ARG 35 HD3 ARG 35 -2.894 10.316 5.066 779 HH11 ARG 35 HH11 ARG 35 -2.377 11.892 3.190 780 HH12 ARG 35 HH12 ARG 35 -3.217 13.099 2.348 781 HH21 ARG 35 HH21 ARG 35 -5.126 14.212 5.098 782 HH22 ARG 35 HH22 ARG 35 -4.818 14.419 3.447 783 H ALA 36 H ALA 36 -2.772 7.169 5.895 784 HA ALA 36 HA ALA 36 -1.567 6.019 8.310 785 HB1 ALA 36 HB1 ALA 36 -2.867 4.449 6.952 786 HB2 ALA 36 HB2 ALA 36 -1.155 4.027 6.952 787 HB3 ALA 36 HB3 ALA 36 -1.864 4.832 5.552 788 H VAL 37 H VAL 37 0.597 6.060 8.550 789 HA VAL 37 HA VAL 37 2.187 7.074 6.290 790 HB VAL 37 HB VAL 37 2.614 7.740 9.227 791 HG11 VAL 37 HG11 VAL 37 4.525 9.081 8.467 792 HG12 VAL 37 HG12 VAL 37 4.288 8.492 6.821 793 HG13 VAL 37 HG13 VAL 37 4.769 7.373 8.097 794 HG21 VAL 37 HG21 VAL 37 0.882 9.069 8.125 795 HG22 VAL 37 HG22 VAL 37 2.039 9.389 6.828 796 HG23 VAL 37 HG23 VAL 37 2.347 10.037 8.437 797 H ILE 38 H ILE 38 3.823 5.914 5.639 798 HA ILE 38 HA ILE 38 4.654 3.594 7.159 799 HB ILE 38 HB ILE 38 4.676 4.376 4.259 800 HG12 ILE 38 HG12 ILE 38 3.390 2.063 5.679 801 HG13 ILE 38 HG13 ILE 38 2.591 3.546 5.163 802 HG21 ILE 38 HG21 ILE 38 5.919 1.897 5.430 803 HG22 ILE 38 HG22 ILE 38 6.784 3.267 4.712 804 HG23 ILE 38 HG23 ILE 38 5.718 2.290 3.714 805 HD11 ILE 38 HD11 ILE 38 2.899 3.082 2.951 806 HD12 ILE 38 HD12 ILE 38 2.250 1.611 3.647 807 HD13 ILE 38 HD13 ILE 38 3.981 1.695 3.239 808 H PHE 39 H PHE 39 6.504 3.945 8.202 809 HA PHE 39 HA PHE 39 8.484 5.773 7.048 810 HD1 PHE 39 HD1 PHE 39 9.098 7.972 8.687 811 HD2 PHE 39 HD2 PHE 39 6.360 5.416 10.693 812 HE1 PHE 39 HE1 PHE 39 7.881 9.934 9.509 813 HE2 PHE 39 HE2 PHE 39 5.138 7.373 11.522 814 HZ PHE 39 HZ PHE 39 5.892 9.632 10.938 815 HB2 PHE 39 HB2 PHE 39 8.312 4.553 9.800 816 HB3 PHE 39 HB3 PHE 39 9.623 5.582 9.243 817 H ILE 40 H ILE 40 9.895 4.893 5.894 818 HA ILE 40 HA ILE 40 10.479 2.067 6.174 819 HB ILE 40 HB ILE 40 11.553 4.127 4.251 820 HG12 ILE 40 HG12 ILE 40 9.182 3.815 3.745 821 HG13 ILE 40 HG13 ILE 40 10.154 2.955 2.566 822 HG21 ILE 40 HG21 ILE 40 12.357 2.200 2.934 823 HG22 ILE 40 HG22 ILE 40 11.900 1.155 4.297 824 HG23 ILE 40 HG23 ILE 40 13.141 2.380 4.507 825 HD11 ILE 40 HD11 ILE 40 9.618 0.844 3.540 826 HD12 ILE 40 HD12 ILE 40 8.144 1.789 3.295 827 HD13 ILE 40 HD13 ILE 40 8.814 1.663 4.907 828 H THR 41 H THR 41 11.952 1.543 7.627 829 HA THR 41 HA THR 41 14.051 3.480 8.144 830 HB THR 41 HB THR 41 14.178 2.418 10.454 831 HG1 THR 41 HG1 THR 41 11.653 1.363 9.759 832 HG21 THR 41 HG21 THR 41 11.569 3.764 9.724 833 HG22 THR 41 HG22 THR 41 13.076 4.589 10.115 834 HG23 THR 41 HG23 THR 41 12.241 3.646 11.348 835 H LYS 42 H LYS 42 16.041 2.355 9.128 836 HA LYS 42 HA LYS 42 16.766 0.313 7.245 837 HB2 LYS 42 HB2 LYS 42 19.068 0.504 8.277 838 HB3 LYS 42 HB3 LYS 42 18.442 1.989 7.594 839 HG2 LYS 42 HG2 LYS 42 19.566 2.517 9.629 840 HG3 LYS 42 HG3 LYS 42 17.845 2.721 9.906 841 HD2 LYS 42 HD2 LYS 42 17.865 0.394 10.910 842 HD3 LYS 42 HD3 LYS 42 19.623 0.457 10.811 843 HE2 LYS 42 HE2 LYS 42 17.833 2.318 12.324 844 HE3 LYS 42 HE3 LYS 42 18.815 1.047 13.023 845 HZ1 LYS 42 HZ1 LYS 42 20.827 2.230 12.198 846 HZ2 LYS 42 HZ2 LYS 42 19.937 3.168 13.273 847 HZ3 LYS 42 HZ3 LYS 42 19.853 3.492 11.642 848 H ARG 43 H ARG 43 15.579 0.377 10.392 849 HA ARG 43 HA ARG 43 16.675 -2.239 11.109 850 HE ARG 43 HE ARG 43 15.968 -3.163 15.892 851 HB2 ARG 43 HB2 ARG 43 16.621 -0.374 12.746 852 HB3 ARG 43 HB3 ARG 43 14.872 -0.360 12.638 853 HG2 ARG 43 HG2 ARG 43 14.839 -2.668 13.502 854 HG3 ARG 43 HG3 ARG 43 16.592 -2.594 13.687 855 HD2 ARG 43 HD2 ARG 43 16.315 -0.638 15.165 856 HD3 ARG 43 HD3 ARG 43 14.566 -0.827 15.030 857 HH11 ARG 43 HH11 ARG 43 14.243 -0.243 16.925 858 HH12 ARG 43 HH12 ARG 43 14.046 -0.799 18.526 859 HH21 ARG 43 HH21 ARG 43 15.681 -3.869 18.081 860 HH22 ARG 43 HH22 ARG 43 14.861 -2.858 19.191 861 H GLY 44 H GLY 44 13.912 -0.788 9.781 862 HA2 GLY 44 HA2 GLY 44 12.648 -3.083 8.952 863 HA3 GLY 44 HA3 GLY 44 12.052 -2.833 10.585 864 H LEU 45 H LEU 45 10.157 -2.086 10.495 865 HA LEU 45 HA LEU 45 9.476 -0.017 8.518 866 HG LEU 45 HG LEU 45 6.350 -0.575 8.888 867 HB2 LEU 45 HB2 LEU 45 8.632 -2.170 7.730 868 HB3 LEU 45 HB3 LEU 45 7.896 -2.490 9.269 869 HD11 LEU 45 HD11 LEU 45 7.569 -0.529 6.146 870 HD12 LEU 45 HD12 LEU 45 7.649 0.746 7.370 871 HD13 LEU 45 HD13 LEU 45 6.099 0.313 6.654 872 HD21 LEU 45 HD21 LEU 45 4.948 -1.700 7.241 873 HD22 LEU 45 HD22 LEU 45 5.610 -2.856 8.392 874 HD23 LEU 45 HD23 LEU 45 6.298 -2.718 6.772 875 H LYS 46 H LYS 46 8.048 1.542 9.332 876 HA LYS 46 HA LYS 46 6.802 0.961 11.847 877 HB2 LYS 46 HB2 LYS 46 8.731 2.205 12.607 878 HB3 LYS 46 HB3 LYS 46 8.470 3.464 11.410 879 HG2 LYS 46 HG2 LYS 46 6.444 4.171 12.510 880 HG3 LYS 46 HG3 LYS 46 6.528 2.810 13.623 881 HD2 LYS 46 HD2 LYS 46 8.433 3.637 14.619 882 HD3 LYS 46 HD3 LYS 46 8.613 4.971 13.436 883 HE2 LYS 46 HE2 LYS 46 6.451 5.860 14.271 884 HE3 LYS 46 HE3 LYS 46 6.383 4.546 15.443 885 HZ1 LYS 46 HZ1 LYS 46 8.449 6.682 15.341 886 HZ2 LYS 46 HZ2 LYS 46 8.423 5.388 16.411 887 HZ3 LYS 46 HZ3 LYS 46 7.194 6.542 16.477 888 H VAL 47 H VAL 47 4.940 1.990 12.169 889 HA VAL 47 HA VAL 47 3.880 3.354 9.808 890 HB VAL 47 HB VAL 47 3.252 0.958 9.796 891 HG11 VAL 47 HG11 VAL 47 1.803 1.598 12.350 892 HG12 VAL 47 HG12 VAL 47 3.165 0.494 12.153 893 HG13 VAL 47 HG13 VAL 47 1.607 0.118 11.413 894 HG21 VAL 47 HG21 VAL 47 1.811 2.564 8.686 895 HG22 VAL 47 HG22 VAL 47 0.972 2.880 10.204 896 HG23 VAL 47 HG23 VAL 47 0.831 1.300 9.433 897 H CYS 48 H CYS 48 2.503 4.979 10.266 898 HA CYS 48 HA CYS 48 1.608 5.295 13.036 899 HB2 CYS 48 HB2 CYS 48 2.730 7.421 11.235 900 HB3 CYS 48 HB3 CYS 48 1.666 7.822 12.579 901 H ALA 49 H ALA 49 -0.425 5.800 13.383 902 HA ALA 49 HA ALA 49 -2.079 6.088 10.954 903 HB1 ALA 49 HB1 ALA 49 -3.885 5.084 12.218 904 HB2 ALA 49 HB2 ALA 49 -2.852 5.015 13.649 905 HB3 ALA 49 HB3 ALA 49 -2.446 4.062 12.223 906 H ASP 50 H ASP 50 -2.999 8.019 10.710 907 HA ASP 50 HA ASP 50 -3.998 9.475 13.054 908 HB2 ASP 50 HB2 ASP 50 -2.298 10.895 12.064 909 HB3 ASP 50 HB3 ASP 50 -2.961 10.672 10.453 910 HA PRO 51 HA PRO 51 -7.506 8.591 10.503 911 HB2 PRO 51 HB2 PRO 51 -9.071 7.603 12.451 912 HB3 PRO 51 HB3 PRO 51 -7.827 6.656 11.634 913 HG2 PRO 51 HG2 PRO 51 -7.868 7.631 14.383 914 HG3 PRO 51 HG3 PRO 51 -6.801 6.437 13.628 915 HD2 PRO 51 HD2 PRO 51 -6.316 9.265 14.155 916 HD3 PRO 51 HD3 PRO 51 -5.172 7.995 13.670 917 H GLN 52 H GLN 52 -8.946 10.014 9.963 918 HA GLN 52 HA GLN 52 -10.683 11.398 9.976 919 HB2 GLN 52 HB2 GLN 52 -10.805 10.923 12.944 920 HB3 GLN 52 HB3 GLN 52 -12.060 11.680 11.965 921 HG2 GLN 52 HG2 GLN 52 -12.274 9.655 10.650 922 HG3 GLN 52 HG3 GLN 52 -11.004 8.907 11.589 923 HE21 GLN 52 HE21 GLN 52 -13.414 10.958 13.099 924 HE22 GLN 52 HE22 GLN 52 -14.244 9.717 13.943 925 H ALA 53 H ALA 53 -7.889 12.216 11.610 926 HA ALA 53 HA ALA 53 -8.801 14.869 12.259 927 HB1 ALA 53 HB1 ALA 53 -6.582 15.281 13.125 928 HB2 ALA 53 HB2 ALA 53 -6.035 13.725 12.483 929 HB3 ALA 53 HB3 ALA 53 -7.255 13.782 13.754 930 H THR 54 H THR 54 -6.155 13.645 10.171 931 HA THR 54 HA THR 54 -5.716 16.154 9.043 932 HB THR 54 HB THR 54 -4.540 14.858 7.186 933 HG1 THR 54 HG1 THR 54 -4.846 12.707 8.986 934 HG21 THR 54 HG21 THR 54 -3.350 15.839 9.096 935 HG22 THR 54 HG22 THR 54 -2.658 14.273 8.667 936 HG23 THR 54 HG23 THR 54 -3.724 14.412 10.064 937 H TRP 55 H TRP 55 -7.633 13.461 7.576 938 HA TRP 55 HA TRP 55 -8.855 15.504 5.911 939 HD1 TRP 55 HD1 TRP 55 -8.837 16.424 3.855 940 HE1 TRP 55 HE1 TRP 55 -9.919 16.382 1.478 941 HE3 TRP 55 HE3 TRP 55 -8.310 11.485 2.851 942 HZ2 TRP 55 HZ2 TRP 55 -10.427 14.460 -0.528 943 HZ3 TRP 55 HZ3 TRP 55 -9.093 10.606 0.696 944 HH2 TRP 55 HH2 TRP 55 -10.131 12.066 -0.957 945 HB2 TRP 55 HB2 TRP 55 -6.906 14.366 4.742 946 HB3 TRP 55 HB3 TRP 55 -7.845 12.885 4.811 947 H VAL 56 H VAL 56 -10.894 14.790 5.010 948 HA VAL 56 HA VAL 56 -11.957 12.275 5.736 949 HB VAL 56 HB VAL 56 -12.368 13.398 7.858 950 HG11 VAL 56 HG11 VAL 56 -13.826 15.522 6.309 951 HG12 VAL 56 HG12 VAL 56 -12.307 15.711 7.183 952 HG13 VAL 56 HG13 VAL 56 -13.796 15.379 8.069 953 HG21 VAL 56 HG21 VAL 56 -14.086 11.850 7.135 954 HG22 VAL 56 HG22 VAL 56 -14.908 13.143 6.264 955 HG23 VAL 56 HG23 VAL 56 -14.823 13.187 8.024 956 H ARG 57 H ARG 57 -12.357 11.852 3.663 957 HA ARG 57 HA ARG 57 -14.758 12.761 2.508 958 HE ARG 57 HE ARG 57 -15.039 14.740 -2.092 959 HB2 ARG 57 HB2 ARG 57 -13.412 14.749 1.926 960 HB3 ARG 57 HB3 ARG 57 -12.204 13.718 1.179 961 HG2 ARG 57 HG2 ARG 57 -13.855 13.005 -0.480 962 HG3 ARG 57 HG3 ARG 57 -15.046 14.081 0.256 963 HD2 ARG 57 HD2 ARG 57 -13.627 16.002 -0.251 964 HD3 ARG 57 HD3 ARG 57 -12.409 14.930 -0.943 965 HH11 ARG 57 HH11 ARG 57 -11.867 16.292 -2.311 966 HH12 ARG 57 HH12 ARG 57 -11.980 16.666 -3.957 967 HH21 ARG 57 HH21 ARG 57 -15.225 15.266 -4.370 968 HH22 ARG 57 HH22 ARG 57 -13.989 16.081 -5.182 969 H ASP 58 H ASP 58 -15.401 10.846 1.766 970 HA ASP 58 HA ASP 58 -13.397 8.957 0.898 971 HB2 ASP 58 HB2 ASP 58 -15.043 8.038 2.384 972 HB3 ASP 58 HB3 ASP 58 -16.347 8.582 1.332 973 H VAL 59 H VAL 59 -12.677 9.756 -0.971 974 HA VAL 59 HA VAL 59 -14.392 9.181 -3.259 975 HB VAL 59 HB VAL 59 -13.171 10.957 -4.489 976 HG11 VAL 59 HG11 VAL 59 -15.398 11.421 -3.641 977 HG12 VAL 59 HG12 VAL 59 -14.403 12.876 -3.510 978 HG13 VAL 59 HG13 VAL 59 -14.726 11.892 -2.082 979 HG21 VAL 59 HG21 VAL 59 -12.182 11.772 -1.761 980 HG22 VAL 59 HG22 VAL 59 -11.989 12.728 -3.231 981 HG23 VAL 59 HG23 VAL 59 -11.198 11.156 -3.090 982 H VAL 60 H VAL 60 -12.253 7.842 -1.589 983 HA VAL 60 HA VAL 60 -10.089 7.610 -3.505 984 HB VAL 60 HB VAL 60 -10.325 6.366 -0.748 985 HG11 VAL 60 HG11 VAL 60 -7.901 6.063 -0.930 986 HG12 VAL 60 HG12 VAL 60 -7.940 6.740 -2.559 987 HG13 VAL 60 HG13 VAL 60 -8.762 5.219 -2.218 988 HG21 VAL 60 HG21 VAL 60 -10.343 8.799 -0.568 989 HG22 VAL 60 HG22 VAL 60 -8.900 8.898 -1.580 990 HG23 VAL 60 HG23 VAL 60 -8.809 8.149 0.015 Start of MODEL 15 1 HA VAL 1 HA VAL 1 16.181 -21.466 17.697 2 HB VAL 1 HB VAL 1 16.400 -22.861 19.756 3 H1 VAL 1 H1 VAL 1 17.167 -23.633 17.588 4 H2 VAL 1 H2 VAL 1 18.713 -22.927 17.792 5 H3 VAL 1 H3 VAL 1 17.796 -22.565 16.436 6 HG11 VAL 1 HG11 VAL 1 18.136 -22.392 21.418 7 HG12 VAL 1 HG12 VAL 1 18.938 -21.336 20.257 8 HG13 VAL 1 HG13 VAL 1 18.786 -23.059 19.920 9 HG21 VAL 1 HG21 VAL 1 16.098 -21.075 21.429 10 HG22 VAL 1 HG22 VAL 1 15.209 -20.750 19.942 11 HG23 VAL 1 HG23 VAL 1 16.720 -19.903 20.265 12 H GLY 2 H GLY 2 16.443 -19.212 17.856 13 HA2 GLY 2 HA2 GLY 2 18.716 -17.856 18.495 14 HA3 GLY 2 HA3 GLY 2 18.872 -18.244 16.787 15 H SER 3 H SER 3 18.368 -16.532 15.643 16 HA SER 3 HA SER 3 15.908 -15.099 16.298 17 HG SER 3 HG SER 3 16.524 -12.792 15.016 18 HB2 SER 3 HB2 SER 3 17.802 -13.861 17.270 19 HB3 SER 3 HB3 SER 3 18.587 -13.814 15.697 20 H GLU 4 H GLU 4 17.077 -17.055 14.179 21 HA GLU 4 HA GLU 4 16.990 -15.433 11.852 22 HB2 GLU 4 HB2 GLU 4 17.242 -18.409 12.172 23 HB3 GLU 4 HB3 GLU 4 17.157 -17.607 10.611 24 HG2 GLU 4 HG2 GLU 4 19.214 -16.985 12.706 25 HG3 GLU 4 HG3 GLU 4 19.471 -18.080 11.346 26 H VAL 5 H VAL 5 15.176 -14.500 11.733 27 HA VAL 5 HA VAL 5 12.715 -15.969 11.782 28 HB VAL 5 HB VAL 5 11.595 -13.795 11.460 29 HG11 VAL 5 HG11 VAL 5 12.261 -12.756 13.576 30 HG12 VAL 5 HG12 VAL 5 13.703 -13.773 13.605 31 HG13 VAL 5 HG13 VAL 5 12.106 -14.510 13.704 32 HG21 VAL 5 HG21 VAL 5 14.386 -12.631 11.400 33 HG22 VAL 5 HG22 VAL 5 12.886 -11.702 11.452 34 HG23 VAL 5 HG23 VAL 5 13.267 -12.686 10.038 35 H SER 6 H SER 6 14.871 -14.557 9.490 36 HA SER 6 HA SER 6 15.071 -14.525 7.297 37 HG SER 6 HG SER 6 16.618 -16.328 7.503 38 HB2 SER 6 HB2 SER 6 13.954 -17.285 7.643 39 HB3 SER 6 HB3 SER 6 14.838 -16.726 6.217 40 H ASP 7 H ASP 7 11.907 -16.261 7.311 41 HA ASP 7 HA ASP 7 11.086 -14.377 5.199 42 HB2 ASP 7 HB2 ASP 7 10.070 -17.162 5.785 43 HB3 ASP 7 HB3 ASP 7 9.257 -16.050 4.706 44 H LYS 8 H LYS 8 10.841 -14.552 8.333 45 HA LYS 8 HA LYS 8 8.047 -14.440 8.805 46 HB2 LYS 8 HB2 LYS 8 9.694 -14.807 10.637 47 HB3 LYS 8 HB3 LYS 8 10.223 -13.142 10.375 48 HG2 LYS 8 HG2 LYS 8 8.034 -12.300 11.016 49 HG3 LYS 8 HG3 LYS 8 7.469 -13.947 11.279 50 HD2 LYS 8 HD2 LYS 8 9.138 -14.243 13.028 51 HD3 LYS 8 HD3 LYS 8 9.737 -12.611 12.740 52 HE2 LYS 8 HE2 LYS 8 7.549 -11.695 13.373 53 HE3 LYS 8 HE3 LYS 8 6.957 -13.325 13.677 54 HZ1 LYS 8 HZ1 LYS 8 8.538 -13.554 15.476 55 HZ2 LYS 8 HZ2 LYS 8 7.675 -12.116 15.685 56 HZ3 LYS 8 HZ3 LYS 8 9.229 -12.059 15.073 57 H ARG 9 H ARG 9 6.957 -13.176 7.564 58 HA ARG 9 HA ARG 9 7.603 -10.402 7.427 59 HE ARG 9 HE ARG 9 2.920 -13.774 6.287 60 HB2 ARG 9 HB2 ARG 9 5.503 -10.193 6.071 61 HB3 ARG 9 HB3 ARG 9 6.670 -11.302 5.402 62 HG2 ARG 9 HG2 ARG 9 4.607 -12.290 5.038 63 HG3 ARG 9 HG3 ARG 9 5.276 -13.134 6.451 64 HD2 ARG 9 HD2 ARG 9 3.799 -11.841 7.903 65 HD3 ARG 9 HD3 ARG 9 3.195 -10.931 6.514 66 HH11 ARG 9 HH11 ARG 9 1.303 -10.855 7.503 67 HH12 ARG 9 HH12 ARG 9 -0.257 -11.507 7.394 68 HH21 ARG 9 HH21 ARG 9 0.749 -14.643 6.130 69 HH22 ARG 9 HH22 ARG 9 -0.594 -13.703 6.584 70 H THR 10 H THR 10 6.942 -8.907 8.728 71 HA THR 10 HA THR 10 5.389 -9.818 10.961 72 HB THR 10 HB THR 10 6.190 -7.604 11.929 73 HG1 THR 10 HG1 THR 10 6.771 -6.600 9.979 74 HG21 THR 10 HG21 THR 10 8.441 -8.505 12.394 75 HG22 THR 10 HG22 THR 10 8.239 -9.670 11.083 76 HG23 THR 10 HG23 THR 10 7.207 -9.759 12.508 77 H CYS 11 H CYS 11 3.459 -8.933 11.526 78 HA CYS 11 HA CYS 11 2.510 -6.638 9.978 79 HB2 CYS 11 HB2 CYS 11 0.921 -9.143 10.589 80 HB3 CYS 11 HB3 CYS 11 0.296 -7.690 9.823 81 H VAL 12 H VAL 12 1.131 -5.365 11.171 82 HA VAL 12 HA VAL 12 0.390 -6.217 13.880 83 HB VAL 12 HB VAL 12 1.861 -3.572 13.479 84 HG11 VAL 12 HG11 VAL 12 0.812 -4.850 15.997 85 HG12 VAL 12 HG12 VAL 12 0.179 -3.404 15.217 86 HG13 VAL 12 HG13 VAL 12 1.778 -3.381 15.948 87 HG21 VAL 12 HG21 VAL 12 2.801 -6.057 14.925 88 HG22 VAL 12 HG22 VAL 12 3.678 -4.525 14.849 89 HG23 VAL 12 HG23 VAL 12 3.413 -5.471 13.384 90 H SER 13 H SER 13 -1.466 -5.259 14.713 91 HA SER 13 HA SER 13 -2.878 -3.462 12.907 92 HG SER 13 HG SER 13 -4.174 -5.081 16.000 93 HB2 SER 13 HB2 SER 13 -4.908 -4.282 14.168 94 HB3 SER 13 HB3 SER 13 -4.076 -5.531 13.244 95 H LEU 14 H LEU 14 -3.636 -1.527 13.677 96 HA LEU 14 HA LEU 14 -2.706 -0.740 16.359 97 HG LEU 14 HG LEU 14 -0.475 0.190 15.266 98 HB2 LEU 14 HB2 LEU 14 -3.040 1.008 13.917 99 HB3 LEU 14 HB3 LEU 14 -2.581 1.576 15.492 100 HD11 LEU 14 HD11 LEU 14 -1.379 -0.011 12.406 101 HD12 LEU 14 HD12 LEU 14 -1.201 -1.346 13.543 102 HD13 LEU 14 HD13 LEU 14 0.225 -0.447 13.012 103 HD21 LEU 14 HD21 LEU 14 -1.032 2.383 13.312 104 HD22 LEU 14 HD22 LEU 14 0.593 1.840 13.780 105 HD23 LEU 14 HD23 LEU 14 -0.498 2.564 14.970 106 H THR 15 H THR 15 -4.164 0.089 17.748 107 HA THR 15 HA THR 15 -6.855 0.419 16.784 108 HB THR 15 HB THR 15 -7.298 0.587 19.310 109 HG1 THR 15 HG1 THR 15 -5.735 0.166 20.641 110 HG21 THR 15 HG21 THR 15 -6.183 -1.972 18.143 111 HG22 THR 15 HG22 THR 15 -7.845 -1.409 17.991 112 HG23 THR 15 HG23 THR 15 -7.214 -1.876 19.571 113 H THR 16 H THR 16 -7.386 2.343 16.156 114 HA THR 16 HA THR 16 -7.035 4.603 17.901 115 HB THR 16 HB THR 16 -5.081 4.738 16.337 116 HG1 THR 16 HG1 THR 16 -5.954 6.697 16.971 117 HG21 THR 16 HG21 THR 16 -6.026 3.523 14.427 118 HG22 THR 16 HG22 THR 16 -5.458 5.117 13.927 119 HG23 THR 16 HG23 THR 16 -7.183 4.828 14.160 120 H GLN 17 H GLN 17 -8.533 6.458 16.923 121 HA GLN 17 HA GLN 17 -11.016 5.154 16.439 122 HB2 GLN 17 HB2 GLN 17 -12.111 7.370 16.377 123 HB3 GLN 17 HB3 GLN 17 -11.130 7.162 17.807 124 HG2 GLN 17 HG2 GLN 17 -10.232 8.646 15.368 125 HG3 GLN 17 HG3 GLN 17 -11.082 9.432 16.699 126 HE21 GLN 17 HE21 GLN 17 -9.685 7.809 18.747 127 HE22 GLN 17 HE22 GLN 17 -8.084 8.411 18.785 128 H ARG 18 H ARG 18 -11.332 4.191 14.692 129 HA ARG 18 HA ARG 18 -11.072 5.698 12.222 130 HE ARG 18 HE ARG 18 -10.512 2.599 8.331 131 HB2 ARG 18 HB2 ARG 18 -9.304 4.290 12.116 132 HB3 ARG 18 HB3 ARG 18 -10.105 2.931 12.897 133 HG2 ARG 18 HG2 ARG 18 -9.661 2.416 10.581 134 HG3 ARG 18 HG3 ARG 18 -11.399 2.614 10.772 135 HD2 ARG 18 HD2 ARG 18 -11.180 4.919 9.894 136 HD3 ARG 18 HD3 ARG 18 -9.455 4.619 9.647 137 HH11 ARG 18 HH11 ARG 18 -11.377 6.046 8.222 138 HH12 ARG 18 HH12 ARG 18 -11.954 5.990 6.623 139 HH21 ARG 18 HH21 ARG 18 -11.289 2.575 6.073 140 HH22 ARG 18 HH22 ARG 18 -11.881 3.994 5.374 141 H LEU 19 H LEU 19 -12.646 5.514 10.802 142 HA LEU 19 HA LEU 19 -15.202 4.732 11.746 143 HG LEU 19 HG LEU 19 -15.450 7.764 9.480 144 HB2 LEU 19 HB2 LEU 19 -14.342 5.607 8.982 145 HB3 LEU 19 HB3 LEU 19 -15.987 5.505 9.557 146 HD11 LEU 19 HD11 LEU 19 -15.217 6.926 12.340 147 HD12 LEU 19 HD12 LEU 19 -16.694 7.225 11.425 148 HD13 LEU 19 HD13 LEU 19 -15.592 8.556 11.776 149 HD21 LEU 19 HD21 LEU 19 -13.506 8.815 10.538 150 HD22 LEU 19 HD22 LEU 19 -13.020 7.640 9.315 151 HD23 LEU 19 HD23 LEU 19 -12.915 7.232 11.027 152 HA PRO 20 HA PRO 20 -15.100 0.592 10.246 153 HB2 PRO 20 HB2 PRO 20 -17.766 0.202 9.830 154 HB3 PRO 20 HB3 PRO 20 -17.010 0.154 11.427 155 HG2 PRO 20 HG2 PRO 20 -18.507 2.376 10.099 156 HG3 PRO 20 HG3 PRO 20 -18.579 1.836 11.785 157 HD2 PRO 20 HD2 PRO 20 -17.168 3.991 10.992 158 HD3 PRO 20 HD3 PRO 20 -16.641 2.964 12.356 159 H VAL 21 H VAL 21 -14.778 -0.237 8.341 160 HA VAL 21 HA VAL 21 -16.245 0.747 6.046 161 HB VAL 21 HB VAL 21 -13.984 1.791 6.008 162 HG11 VAL 21 HG11 VAL 21 -12.700 0.155 7.201 163 HG12 VAL 21 HG12 VAL 21 -11.970 0.464 5.627 164 HG13 VAL 21 HG13 VAL 21 -12.908 -1.007 5.892 165 HG21 VAL 21 HG21 VAL 21 -13.327 1.136 3.725 166 HG22 VAL 21 HG22 VAL 21 -15.067 1.367 3.884 167 HG23 VAL 21 HG23 VAL 21 -14.392 -0.261 3.831 168 H SER 22 H SER 22 -16.922 -0.853 4.690 169 HA SER 22 HA SER 22 -16.773 -3.517 5.784 170 HG SER 22 HG SER 22 -18.975 -1.496 5.261 171 HB2 SER 22 HB2 SER 22 -18.291 -2.470 3.393 172 HB3 SER 22 HB3 SER 22 -18.513 -4.052 4.152 173 H ARG 23 H ARG 23 -14.700 -1.959 3.867 174 HA ARG 23 HA ARG 23 -14.109 -4.334 2.227 175 HE ARG 23 HE ARG 23 -13.941 -3.797 -1.090 176 HB2 ARG 23 HB2 ARG 23 -13.338 -1.464 1.652 177 HB3 ARG 23 HB3 ARG 23 -12.997 -2.853 0.639 178 HG2 ARG 23 HG2 ARG 23 -15.708 -1.689 1.237 179 HG3 ARG 23 HG3 ARG 23 -14.813 -1.548 -0.275 180 HD2 ARG 23 HD2 ARG 23 -15.858 -4.102 0.946 181 HD3 ARG 23 HD3 ARG 23 -16.570 -3.239 -0.412 182 HH11 ARG 23 HH11 ARG 23 -16.886 -5.597 -0.343 183 HH12 ARG 23 HH12 ARG 23 -16.510 -6.929 -1.326 184 HH21 ARG 23 HH21 ARG 23 -13.403 -5.601 -2.445 185 HH22 ARG 23 HH22 ARG 23 -14.458 -6.939 -2.570 186 H ILE 24 H ILE 24 -11.854 -4.812 1.961 187 HA ILE 24 HA ILE 24 -10.178 -3.775 4.123 188 HB ILE 24 HB ILE 24 -9.849 -6.267 2.408 189 HG12 ILE 24 HG12 ILE 24 -11.587 -6.466 4.155 190 HG13 ILE 24 HG13 ILE 24 -10.223 -7.546 4.448 191 HG21 ILE 24 HG21 ILE 24 -7.896 -6.783 3.839 192 HG22 ILE 24 HG22 ILE 24 -8.095 -5.230 4.647 193 HG23 ILE 24 HG23 ILE 24 -7.678 -5.284 2.934 194 HD11 ILE 24 HD11 ILE 24 -10.733 -4.909 5.814 195 HD12 ILE 24 HD12 ILE 24 -9.367 -5.980 6.099 196 HD13 ILE 24 HD13 ILE 24 -10.998 -6.518 6.497 197 H LYS 25 H LYS 25 -8.916 -2.218 3.409 198 HA LYS 25 HA LYS 25 -8.529 -2.254 0.531 199 HB2 LYS 25 HB2 LYS 25 -9.502 -0.216 1.866 200 HB3 LYS 25 HB3 LYS 25 -7.802 0.105 2.212 201 HG2 LYS 25 HG2 LYS 25 -8.482 1.370 0.304 202 HG3 LYS 25 HG3 LYS 25 -7.347 0.109 -0.197 203 HD2 LYS 25 HD2 LYS 25 -9.318 -1.316 -0.855 204 HD3 LYS 25 HD3 LYS 25 -10.352 0.014 -0.434 205 HE2 LYS 25 HE2 LYS 25 -9.214 1.443 -2.098 206 HE3 LYS 25 HE3 LYS 25 -8.204 0.068 -2.528 207 HZ1 LYS 25 HZ1 LYS 25 -10.077 0.364 -4.044 208 HZ2 LYS 25 HZ2 LYS 25 -11.147 0.135 -2.771 209 HZ3 LYS 25 HZ3 LYS 25 -10.160 -1.131 -3.265 210 H THR 26 H THR 26 -6.633 -2.670 -0.314 211 HA THR 26 HA THR 26 -4.345 -3.071 1.507 212 HB THR 26 HB THR 26 -5.000 -4.313 -1.161 213 HG1 THR 26 HG1 THR 26 -5.947 -4.733 1.311 214 HG21 THR 26 HG21 THR 26 -2.601 -4.338 -0.546 215 HG22 THR 26 HG22 THR 26 -3.290 -5.962 -0.504 216 HG23 THR 26 HG23 THR 26 -3.010 -5.082 0.998 217 H TYR 27 H TYR 27 -2.681 -1.829 1.213 218 HA TYR 27 HA TYR 27 -2.269 -0.594 -1.399 219 HD1 TYR 27 HD1 TYR 27 -2.479 2.141 -1.994 220 HD2 TYR 27 HD2 TYR 27 -4.345 0.971 1.621 221 HE1 TYR 27 HE1 TYR 27 -4.478 3.277 -2.707 222 HE2 TYR 27 HE2 TYR 27 -6.403 2.121 0.946 223 HH TYR 27 HH TYR 27 -7.217 3.779 -0.541 224 HB2 TYR 27 HB2 TYR 27 -1.996 0.708 1.297 225 HB3 TYR 27 HB3 TYR 27 -1.193 1.335 -0.141 226 H THR 28 H THR 28 -0.403 -0.851 -2.230 227 HA THR 28 HA THR 28 1.542 -2.176 -0.499 228 HB THR 28 HB THR 28 2.377 -3.446 -2.466 229 HG1 THR 28 HG1 THR 28 1.428 -1.704 -3.908 230 HG21 THR 28 HG21 THR 28 0.455 -4.946 -2.716 231 HG22 THR 28 HG22 THR 28 -0.607 -3.680 -2.097 232 HG23 THR 28 HG23 THR 28 0.598 -4.402 -1.040 233 H ILE 29 H ILE 29 3.282 -1.089 -0.157 234 HA ILE 29 HA ILE 29 4.329 0.628 -2.300 235 HB ILE 29 HB ILE 29 4.483 1.069 0.693 236 HG12 ILE 29 HG12 ILE 29 3.208 2.693 -1.517 237 HG13 ILE 29 HG13 ILE 29 2.359 1.744 -0.303 238 HG21 ILE 29 HG21 ILE 29 5.818 2.687 -1.498 239 HG22 ILE 29 HG22 ILE 29 6.631 1.656 -0.322 240 HG23 ILE 29 HG23 ILE 29 5.789 3.098 0.222 241 HD11 ILE 29 HD11 ILE 29 2.304 4.091 0.261 242 HD12 ILE 29 HD12 ILE 29 4.075 4.141 0.178 243 HD13 ILE 29 HD13 ILE 29 3.286 3.181 1.422 244 H THR 30 H THR 30 6.155 -0.094 -3.065 245 HA THR 30 HA THR 30 7.797 -1.702 -1.293 246 HB THR 30 HB THR 30 7.167 -2.992 -3.207 247 HG1 THR 30 HG1 THR 30 9.818 -2.093 -3.709 248 HG21 THR 30 HG21 THR 30 8.234 -0.755 -4.910 249 HG22 THR 30 HG22 THR 30 6.543 -1.228 -4.755 250 HG23 THR 30 HG23 THR 30 7.706 -2.326 -5.510 251 H GLU 31 H GLU 31 9.759 -1.036 -0.860 252 HA GLU 31 HA GLU 31 10.807 1.225 -2.330 253 HB2 GLU 31 HB2 GLU 31 9.634 2.203 -0.437 254 HB3 GLU 31 HB3 GLU 31 10.484 1.140 0.671 255 HG2 GLU 31 HG2 GLU 31 11.309 3.441 0.666 256 HG3 GLU 31 HG3 GLU 31 12.531 2.238 0.275 257 H GLY 32 H GLY 32 12.335 0.090 -3.235 258 HA2 GLY 32 HA2 GLY 32 14.588 -0.453 -3.372 259 HA3 GLY 32 HA3 GLY 32 14.664 -0.429 -1.616 260 H SER 33 H SER 33 13.868 -2.190 -0.492 261 HA SER 33 HA SER 33 13.514 -4.707 -1.923 262 HG SER 33 HG SER 33 16.199 -6.375 -0.169 263 HB2 SER 33 HB2 SER 33 16.002 -4.389 -1.491 264 HB3 SER 33 HB3 SER 33 15.629 -4.315 0.227 265 H LEU 34 H LEU 34 11.799 -2.925 -0.424 266 HA LEU 34 HA LEU 34 11.137 -4.649 1.785 267 HG LEU 34 HG LEU 34 9.473 -2.098 2.761 268 HB2 LEU 34 HB2 LEU 34 12.297 -2.924 2.716 269 HB3 LEU 34 HB3 LEU 34 11.583 -1.709 1.671 270 HD11 LEU 34 HD11 LEU 34 9.462 -3.197 5.028 271 HD12 LEU 34 HD12 LEU 34 11.129 -3.700 4.745 272 HD13 LEU 34 HD13 LEU 34 9.832 -4.324 3.726 273 HD21 LEU 34 HD21 LEU 34 10.860 -0.233 3.299 274 HD22 LEU 34 HD22 LEU 34 11.720 -1.157 4.529 275 HD23 LEU 34 HD23 LEU 34 10.011 -0.753 4.750 276 H ARG 35 H ARG 35 9.164 -5.391 1.341 277 HA ARG 35 HA ARG 35 7.273 -3.740 -0.211 278 HE ARG 35 HE ARG 35 7.556 -7.443 -3.453 279 HB2 ARG 35 HB2 ARG 35 6.946 -6.544 0.852 280 HB3 ARG 35 HB3 ARG 35 5.821 -5.720 -0.196 281 HG2 ARG 35 HG2 ARG 35 8.622 -6.511 -0.926 282 HG3 ARG 35 HG3 ARG 35 7.182 -7.458 -1.324 283 HD2 ARG 35 HD2 ARG 35 6.436 -5.268 -2.503 284 HD3 ARG 35 HD3 ARG 35 8.147 -4.832 -2.397 285 HH11 ARG 35 HH11 ARG 35 8.612 -4.164 -4.236 286 HH12 ARG 35 HH12 ARG 35 8.824 -4.524 -5.894 287 HH21 ARG 35 HH21 ARG 35 7.868 -7.869 -5.703 288 HH22 ARG 35 HH22 ARG 35 8.382 -6.638 -6.754 289 H ALA 36 H ALA 36 5.997 -2.358 0.999 290 HA ALA 36 HA ALA 36 5.185 -3.260 3.656 291 HB1 ALA 36 HB1 ALA 36 4.745 -0.885 4.099 292 HB2 ALA 36 HB2 ALA 36 5.257 -0.488 2.456 293 HB3 ALA 36 HB3 ALA 36 6.421 -1.138 3.610 294 H VAL 37 H VAL 37 3.111 -3.770 3.926 295 HA VAL 37 HA VAL 37 1.195 -2.921 1.869 296 HB VAL 37 HB VAL 37 1.207 -5.556 3.378 297 HG11 VAL 37 HG11 VAL 37 -0.749 -6.125 2.007 298 HG12 VAL 37 HG12 VAL 37 -0.730 -4.504 1.313 299 HG13 VAL 37 HG13 VAL 37 -1.067 -4.725 3.029 300 HG21 VAL 37 HG21 VAL 37 1.478 -6.539 1.157 301 HG22 VAL 37 HG22 VAL 37 2.834 -5.457 1.560 302 HG23 VAL 37 HG23 VAL 37 1.531 -4.908 0.492 303 H ILE 38 H ILE 38 -0.433 -1.776 2.564 304 HA ILE 38 HA ILE 38 -0.978 -1.619 5.412 305 HB ILE 38 HB ILE 38 -1.404 0.190 3.063 306 HG12 ILE 38 HG12 ILE 38 0.056 0.619 5.647 307 HG13 ILE 38 HG13 ILE 38 0.793 0.150 4.114 308 HG21 ILE 38 HG21 ILE 38 -3.424 0.333 4.394 309 HG22 ILE 38 HG22 ILE 38 -2.450 1.799 4.503 310 HG23 ILE 38 HG23 ILE 38 -2.456 0.643 5.844 311 HD11 ILE 38 HD11 ILE 38 -0.812 2.658 4.470 312 HD12 ILE 38 HD12 ILE 38 0.169 2.102 3.112 313 HD13 ILE 38 HD13 ILE 38 0.951 2.564 4.651 314 H PHE 39 H PHE 39 -2.859 -2.375 6.127 315 HA PHE 39 HA PHE 39 -5.003 -2.935 4.197 316 HD1 PHE 39 HD1 PHE 39 -5.452 -5.784 3.678 317 HD2 PHE 39 HD2 PHE 39 -2.334 -5.238 6.516 318 HE1 PHE 39 HE1 PHE 39 -4.156 -7.577 2.602 319 HE2 PHE 39 HE2 PHE 39 -1.041 -7.024 5.441 320 HZ PHE 39 HZ PHE 39 -1.955 -8.196 3.478 321 HB2 PHE 39 HB2 PHE 39 -4.445 -4.266 6.865 322 HB3 PHE 39 HB3 PHE 39 -5.816 -4.609 5.828 323 H ILE 40 H ILE 40 -6.444 -1.494 4.337 324 HA ILE 40 HA ILE 40 -6.877 -0.011 6.807 325 HB ILE 40 HB ILE 40 -8.356 0.237 4.184 326 HG12 ILE 40 HG12 ILE 40 -6.036 0.796 3.651 327 HG13 ILE 40 HG13 ILE 40 -6.972 2.274 3.841 328 HG21 ILE 40 HG21 ILE 40 -9.577 1.168 6.037 329 HG22 ILE 40 HG22 ILE 40 -8.981 2.467 5.007 330 HG23 ILE 40 HG23 ILE 40 -8.171 2.108 6.530 331 HD11 ILE 40 HD11 ILE 40 -6.075 2.682 5.950 332 HD12 ILE 40 HD12 ILE 40 -4.777 2.419 4.765 333 HD13 ILE 40 HD13 ILE 40 -5.169 1.156 5.925 334 H THR 41 H THR 41 -8.314 -0.654 8.246 335 HA THR 41 HA THR 41 -10.434 -2.398 7.272 336 HB THR 41 HB THR 41 -10.315 -3.660 9.395 337 HG1 THR 41 HG1 THR 41 -8.047 -2.015 9.835 338 HG21 THR 41 HG21 THR 41 -7.653 -3.550 7.958 339 HG22 THR 41 HG22 THR 41 -9.052 -4.504 7.467 340 HG23 THR 41 HG23 THR 41 -8.217 -4.875 8.976 341 H LYS 42 H LYS 42 -12.129 -2.586 8.968 342 HA LYS 42 HA LYS 42 -13.257 -0.077 9.772 343 HB2 LYS 42 HB2 LYS 42 -14.997 -1.544 10.723 344 HB3 LYS 42 HB3 LYS 42 -14.580 -2.049 9.078 345 HG2 LYS 42 HG2 LYS 42 -13.106 -3.739 9.937 346 HG3 LYS 42 HG3 LYS 42 -13.423 -3.209 11.573 347 HD2 LYS 42 HD2 LYS 42 -15.741 -3.887 11.289 348 HD3 LYS 42 HD3 LYS 42 -15.332 -4.510 9.672 349 HE2 LYS 42 HE2 LYS 42 -13.529 -5.794 10.651 350 HE3 LYS 42 HE3 LYS 42 -13.983 -5.239 12.220 351 HZ1 LYS 42 HZ1 LYS 42 -15.762 -6.879 10.459 352 HZ2 LYS 42 HZ2 LYS 42 -16.157 -6.328 12.007 353 HZ3 LYS 42 HZ3 LYS 42 -14.911 -7.454 11.798 354 H ARG 43 H ARG 43 -11.151 -2.416 11.115 355 HA ARG 43 HA ARG 43 -11.712 -1.982 13.936 356 HE ARG 43 HE ARG 43 -8.426 -5.185 16.407 357 HB2 ARG 43 HB2 ARG 43 -11.162 -4.218 13.042 358 HB3 ARG 43 HB3 ARG 43 -9.625 -3.617 12.464 359 HG2 ARG 43 HG2 ARG 43 -8.912 -3.261 14.797 360 HG3 ARG 43 HG3 ARG 43 -10.460 -3.904 15.357 361 HD2 ARG 43 HD2 ARG 43 -9.986 -6.022 14.203 362 HD3 ARG 43 HD3 ARG 43 -8.433 -5.387 13.671 363 HH11 ARG 43 HH11 ARG 43 -8.741 -7.816 14.048 364 HH12 ARG 43 HH12 ARG 43 -8.145 -9.020 15.076 365 HH21 ARG 43 HH21 ARG 43 -7.558 -6.876 17.836 366 HH22 ARG 43 HH22 ARG 43 -7.458 -8.469 17.256 367 H GLY 44 H GLY 44 -9.671 -1.125 11.464 368 HA2 GLY 44 HA2 GLY 44 -8.786 1.314 12.169 369 HA3 GLY 44 HA3 GLY 44 -7.795 0.322 13.225 370 H LEU 45 H LEU 45 -5.852 0.355 12.482 371 HA LEU 45 HA LEU 45 -5.359 0.148 9.584 372 HG LEU 45 HG LEU 45 -2.259 0.371 10.002 373 HB2 LEU 45 HB2 LEU 45 -4.556 2.243 10.547 374 HB3 LEU 45 HB3 LEU 45 -3.696 1.368 11.794 375 HD11 LEU 45 HD11 LEU 45 -3.704 0.616 8.106 376 HD12 LEU 45 HD12 LEU 45 -2.175 1.449 7.829 377 HD13 LEU 45 HD13 LEU 45 -3.618 2.375 8.235 378 HD21 LEU 45 HD21 LEU 45 -2.207 3.386 10.233 379 HD22 LEU 45 HD22 LEU 45 -0.896 2.387 9.635 380 HD23 LEU 45 HD23 LEU 45 -1.376 2.242 11.300 381 H LYS 46 H LYS 46 -4.178 -1.587 8.909 382 HA LYS 46 HA LYS 46 -2.460 -2.832 10.858 383 HB2 LYS 46 HB2 LYS 46 -4.382 -4.329 10.752 384 HB3 LYS 46 HB3 LYS 46 -4.290 -4.371 8.996 385 HG2 LYS 46 HG2 LYS 46 -2.226 -5.576 9.052 386 HG3 LYS 46 HG3 LYS 46 -2.070 -5.341 10.791 387 HD2 LYS 46 HD2 LYS 46 -3.941 -6.654 11.197 388 HD3 LYS 46 HD3 LYS 46 -4.282 -6.870 9.454 389 HE2 LYS 46 HE2 LYS 46 -2.132 -8.080 9.263 390 HE3 LYS 46 HE3 LYS 46 -1.842 -7.830 10.985 391 HZ1 LYS 46 HZ1 LYS 46 -4.075 -9.394 9.809 392 HZ2 LYS 46 HZ2 LYS 46 -3.835 -9.137 11.443 393 HZ3 LYS 46 HZ3 LYS 46 -2.715 -10.053 10.571 394 H VAL 47 H VAL 47 -0.641 -3.635 10.061 395 HA VAL 47 HA VAL 47 -0.077 -2.914 7.280 396 HB VAL 47 HB VAL 47 0.653 -1.119 8.874 397 HG11 VAL 47 HG11 VAL 47 2.742 -1.495 10.151 398 HG12 VAL 47 HG12 VAL 47 2.582 -3.211 9.801 399 HG13 VAL 47 HG13 VAL 47 1.344 -2.404 10.757 400 HG21 VAL 47 HG21 VAL 47 1.639 -1.268 6.669 401 HG22 VAL 47 HG22 VAL 47 2.795 -2.469 7.247 402 HG23 VAL 47 HG23 VAL 47 2.875 -0.808 7.840 403 H CYS 48 H CYS 48 1.295 -4.237 6.263 404 HA CYS 48 HA CYS 48 2.583 -6.338 7.826 405 HB2 CYS 48 HB2 CYS 48 1.104 -6.605 5.233 406 HB3 CYS 48 HB3 CYS 48 2.355 -7.755 5.696 407 H ALA 49 H ALA 49 4.580 -6.817 7.392 408 HA ALA 49 HA ALA 49 5.904 -5.226 5.278 409 HB1 ALA 49 HB1 ALA 49 7.049 -6.269 7.868 410 HB2 ALA 49 HB2 ALA 49 6.615 -4.596 7.546 411 HB3 ALA 49 HB3 ALA 49 7.931 -5.355 6.647 412 H ASP 50 H ASP 50 6.676 -6.448 3.689 413 HA ASP 50 HA ASP 50 7.586 -9.173 4.316 414 HB2 ASP 50 HB2 ASP 50 5.395 -9.157 3.001 415 HB3 ASP 50 HB3 ASP 50 6.244 -8.331 1.710 416 HA PRO 51 HA PRO 51 10.836 -6.537 2.537 417 HB2 PRO 51 HB2 PRO 51 12.645 -7.806 4.394 418 HB3 PRO 51 HB3 PRO 51 12.142 -6.116 4.320 419 HG2 PRO 51 HG2 PRO 51 11.423 -7.801 6.332 420 HG3 PRO 51 HG3 PRO 51 10.440 -6.423 5.814 421 HD2 PRO 51 HD2 PRO 51 10.141 -9.323 5.137 422 HD3 PRO 51 HD3 PRO 51 8.895 -8.120 5.547 423 H GLN 52 H GLN 52 12.309 -6.974 1.098 424 HA GLN 52 HA GLN 52 13.671 -7.970 -0.318 425 HB2 GLN 52 HB2 GLN 52 13.797 -10.209 1.680 426 HB3 GLN 52 HB3 GLN 52 14.921 -9.949 0.349 427 HG2 GLN 52 HG2 GLN 52 15.501 -7.754 1.317 428 HG3 GLN 52 HG3 GLN 52 14.444 -8.091 2.666 429 HE21 GLN 52 HE21 GLN 52 17.417 -8.995 1.092 430 HE22 GLN 52 HE22 GLN 52 18.091 -9.865 2.418 431 H ALA 53 H ALA 53 11.209 -10.169 0.827 432 HA ALA 53 HA ALA 53 9.752 -11.523 -0.167 433 HB1 ALA 53 HB1 ALA 53 9.299 -9.642 -1.691 434 HB2 ALA 53 HB2 ALA 53 9.096 -11.200 -2.493 435 HB3 ALA 53 HB3 ALA 53 10.544 -10.241 -2.787 436 H THR 54 H THR 54 12.034 -11.484 -2.819 437 HA THR 54 HA THR 54 13.338 -13.937 -2.131 438 HB THR 54 HB THR 54 11.623 -13.920 -4.667 439 HG1 THR 54 HG1 THR 54 10.988 -14.554 -2.132 440 HG21 THR 54 HG21 THR 54 13.207 -16.135 -3.343 441 HG22 THR 54 HG22 THR 54 13.673 -15.266 -4.809 442 HG23 THR 54 HG23 THR 54 12.242 -16.295 -4.812 443 H TRP 55 H TRP 55 12.317 -12.103 -4.979 444 HA TRP 55 HA TRP 55 14.893 -10.840 -5.213 445 HD1 TRP 55 HD1 TRP 55 14.175 -14.778 -7.121 446 HE1 TRP 55 HE1 TRP 55 16.384 -16.031 -6.667 447 HE3 TRP 55 HE3 TRP 55 17.274 -10.769 -6.436 448 HZ2 TRP 55 HZ2 TRP 55 19.063 -15.408 -6.084 449 HZ3 TRP 55 HZ3 TRP 55 19.644 -11.183 -5.929 450 HH2 TRP 55 HH2 TRP 55 20.520 -13.453 -5.757 451 HB2 TRP 55 HB2 TRP 55 13.529 -12.307 -7.510 452 HB3 TRP 55 HB3 TRP 55 14.852 -11.168 -7.718 453 H VAL 56 H VAL 56 14.144 -8.973 -4.677 454 HA VAL 56 HA VAL 56 11.499 -8.174 -5.130 455 HB VAL 56 HB VAL 56 12.681 -7.452 -3.153 456 HG11 VAL 56 HG11 VAL 56 14.418 -5.798 -4.972 457 HG12 VAL 56 HG12 VAL 56 14.928 -7.226 -4.082 458 HG13 VAL 56 HG13 VAL 56 14.469 -5.759 -3.218 459 HG21 VAL 56 HG21 VAL 56 11.930 -5.115 -4.915 460 HG22 VAL 56 HG22 VAL 56 12.033 -5.067 -3.154 461 HG23 VAL 56 HG23 VAL 56 10.823 -6.074 -3.940 462 H ARG 57 H ARG 57 10.645 -7.547 -6.914 463 HA ARG 57 HA ARG 57 12.108 -5.909 -8.827 464 HE ARG 57 HE ARG 57 11.176 -9.714 -11.641 465 HB2 ARG 57 HB2 ARG 57 9.285 -6.971 -8.789 466 HB3 ARG 57 HB3 ARG 57 9.901 -5.915 -10.051 467 HG2 ARG 57 HG2 ARG 57 11.558 -7.491 -10.591 468 HG3 ARG 57 HG3 ARG 57 10.984 -8.585 -9.310 469 HD2 ARG 57 HD2 ARG 57 8.841 -8.803 -10.439 470 HD3 ARG 57 HD3 ARG 57 9.332 -7.639 -11.670 471 HH11 ARG 57 HH11 ARG 57 7.768 -9.255 -12.442 472 HH12 ARG 57 HH12 ARG 57 7.744 -10.418 -13.687 473 HH21 ARG 57 HH21 ARG 57 11.158 -11.305 -13.358 474 HH22 ARG 57 HH22 ARG 57 9.727 -11.607 -14.221 475 H ASP 58 H ASP 58 12.416 -3.958 -7.924 476 HA ASP 58 HA ASP 58 10.285 -2.922 -6.329 477 HB2 ASP 58 HB2 ASP 58 12.608 -2.705 -5.534 478 HB3 ASP 58 HB3 ASP 58 12.947 -1.628 -6.886 479 H VAL 59 H VAL 59 8.895 -2.900 -8.027 480 HA VAL 59 HA VAL 59 8.828 -0.967 -10.058 481 HB VAL 59 HB VAL 59 7.246 -2.835 -10.010 482 HG11 VAL 59 HG11 VAL 59 6.872 -3.041 -7.638 483 HG12 VAL 59 HG12 VAL 59 5.328 -2.886 -8.477 484 HG13 VAL 59 HG13 VAL 59 6.004 -1.506 -7.612 485 HG21 VAL 59 HG21 VAL 59 5.849 -0.170 -9.858 486 HG22 VAL 59 HG22 VAL 59 5.142 -1.638 -10.525 487 HG23 VAL 59 HG23 VAL 59 6.548 -0.901 -11.298 488 H VAL 60 H VAL 60 8.206 1.204 -10.112 489 HA VAL 60 HA VAL 60 7.874 2.463 -7.496 490 HB VAL 60 HB VAL 60 8.468 3.751 -10.181 491 HG11 VAL 60 HG11 VAL 60 8.967 5.772 -8.872 492 HG12 VAL 60 HG12 VAL 60 8.466 4.936 -7.403 493 HG13 VAL 60 HG13 VAL 60 7.289 5.266 -8.674 494 HG21 VAL 60 HG21 VAL 60 10.733 4.101 -9.290 495 HG22 VAL 60 HG22 VAL 60 10.332 2.385 -9.399 496 HG23 VAL 60 HG23 VAL 60 10.293 3.203 -7.838 497 HA VAL 1 HA VAL 1 -5.962 10.687 31.003 498 HB VAL 1 HB VAL 1 -5.167 8.318 30.867 499 H1 VAL 1 H1 VAL 1 -8.451 9.519 30.919 500 HG11 VAL 1 HG11 VAL 1 -6.964 7.310 29.645 501 HG12 VAL 1 HG12 VAL 1 -5.445 7.050 28.779 502 HG13 VAL 1 HG13 VAL 1 -6.581 8.277 28.223 503 HG21 VAL 1 HG21 VAL 1 -3.608 8.618 28.981 504 HG22 VAL 1 HG22 VAL 1 -3.759 10.068 29.970 505 HG23 VAL 1 HG23 VAL 1 -4.585 9.975 28.416 506 H GLY 2 H GLY 2 -5.698 11.984 29.171 507 HA2 GLY 2 HA2 GLY 2 -8.033 12.366 27.521 508 HA3 GLY 2 HA3 GLY 2 -6.542 13.304 27.460 509 H SER 3 H SER 3 -7.984 10.263 26.561 510 HA SER 3 HA SER 3 -5.777 9.487 24.902 511 HG SER 3 HG SER 3 -7.743 7.482 23.332 512 HB2 SER 3 HB2 SER 3 -7.117 7.789 26.061 513 HB3 SER 3 HB3 SER 3 -8.549 8.302 25.174 514 H GLU 4 H GLU 4 -9.147 10.431 24.272 515 HA GLU 4 HA GLU 4 -8.604 10.486 21.442 516 HB2 GLU 4 HB2 GLU 4 -11.155 11.214 22.886 517 HB3 GLU 4 HB3 GLU 4 -10.979 10.825 21.183 518 HG2 GLU 4 HG2 GLU 4 -10.634 8.927 23.505 519 HG3 GLU 4 HG3 GLU 4 -11.985 8.972 22.384 520 H VAL 5 H VAL 5 -7.222 12.162 21.188 521 HA VAL 5 HA VAL 5 -8.329 14.859 21.599 522 HB VAL 5 HB VAL 5 -6.082 15.703 22.279 523 HG11 VAL 5 HG11 VAL 5 -7.211 13.581 24.101 524 HG12 VAL 5 HG12 VAL 5 -7.747 15.260 23.996 525 HG13 VAL 5 HG13 VAL 5 -6.129 14.883 24.593 526 HG21 VAL 5 HG21 VAL 5 -5.371 12.772 22.487 527 HG22 VAL 5 HG22 VAL 5 -4.375 14.105 23.072 528 HG23 VAL 5 HG23 VAL 5 -4.692 13.928 21.344 529 H SER 6 H SER 6 -7.643 12.841 19.316 530 HA SER 6 HA SER 6 -7.142 12.939 17.156 531 HG SER 6 HG SER 6 -8.920 14.295 17.115 532 HB2 SER 6 HB2 SER 6 -6.705 15.909 17.557 533 HB3 SER 6 HB3 SER 6 -6.832 15.097 15.996 534 H ASP 7 H ASP 7 -4.821 14.554 19.204 535 HA ASP 7 HA ASP 7 -2.631 14.043 17.437 536 HB2 ASP 7 HB2 ASP 7 -2.774 15.125 20.210 537 HB3 ASP 7 HB3 ASP 7 -1.234 14.583 19.566 538 H LYS 8 H LYS 8 -4.297 11.961 19.469 539 HA LYS 8 HA LYS 8 -1.903 10.472 20.079 540 HB2 LYS 8 HB2 LYS 8 -3.576 10.549 21.860 541 HB3 LYS 8 HB3 LYS 8 -4.774 9.827 20.800 542 HG2 LYS 8 HG2 LYS 8 -3.445 7.759 20.715 543 HG3 LYS 8 HG3 LYS 8 -2.245 8.494 21.777 544 HD2 LYS 8 HD2 LYS 8 -3.916 8.707 23.538 545 HD3 LYS 8 HD3 LYS 8 -5.146 8.032 22.475 546 HE2 LYS 8 HE2 LYS 8 -3.896 5.928 22.356 547 HE3 LYS 8 HE3 LYS 8 -2.655 6.602 23.405 548 HZ1 LYS 8 HZ1 LYS 8 -4.254 6.780 25.172 549 HZ2 LYS 8 HZ2 LYS 8 -4.258 5.195 24.620 550 HZ3 LYS 8 HZ3 LYS 8 -5.503 6.238 24.184 551 H ARG 9 H ARG 9 -1.317 10.176 18.058 552 HA ARG 9 HA ARG 9 -2.760 8.276 16.371 553 HE ARG 9 HE ARG 9 2.572 11.246 15.237 554 HB2 ARG 9 HB2 ARG 9 -0.973 8.791 14.762 555 HB3 ARG 9 HB3 ARG 9 -1.882 10.200 15.263 556 HG2 ARG 9 HG2 ARG 9 -0.043 10.785 16.797 557 HG3 ARG 9 HG3 ARG 9 0.877 9.416 16.162 558 HD2 ARG 9 HD2 ARG 9 0.783 10.322 13.962 559 HD3 ARG 9 HD3 ARG 9 -0.244 11.643 14.501 560 HH11 ARG 9 HH11 ARG 9 -0.268 13.377 14.951 561 HH12 ARG 9 HH12 ARG 9 0.594 14.825 15.088 562 HH21 ARG 9 HH21 ARG 9 3.787 13.265 15.459 563 HH22 ARG 9 HH22 ARG 9 2.970 14.749 15.405 564 H THR 10 H THR 10 -2.093 6.207 16.118 565 HA THR 10 HA THR 10 -0.093 5.386 17.996 566 HB THR 10 HB THR 10 -0.968 3.068 17.370 567 HG1 THR 10 HG1 THR 10 -3.360 3.758 16.619 568 HG21 THR 10 HG21 THR 10 -2.984 3.342 18.752 569 HG22 THR 10 HG22 THR 10 -2.857 5.092 18.581 570 HG23 THR 10 HG23 THR 10 -1.602 4.194 19.442 571 H CYS 11 H CYS 11 1.704 4.168 17.425 572 HA CYS 11 HA CYS 11 2.215 3.842 14.580 573 HB2 CYS 11 HB2 CYS 11 4.119 5.191 16.525 574 HB3 CYS 11 HB3 CYS 11 4.504 4.739 14.876 575 H VAL 12 H VAL 12 3.678 2.201 14.210 576 HA VAL 12 HA VAL 12 4.807 0.750 16.512 577 HB VAL 12 HB VAL 12 3.238 -0.682 14.340 578 HG11 VAL 12 HG11 VAL 12 4.548 -1.734 16.828 579 HG12 VAL 12 HG12 VAL 12 5.080 -1.993 15.172 580 HG13 VAL 12 HG13 VAL 12 3.558 -2.687 15.722 581 HG21 VAL 12 HG21 VAL 12 1.595 -1.283 16.078 582 HG22 VAL 12 HG22 VAL 12 1.677 0.460 15.826 583 HG23 VAL 12 HG23 VAL 12 2.455 -0.264 17.232 584 H SER 13 H SER 13 6.754 -0.081 16.169 585 HA SER 13 HA SER 13 7.765 -0.041 13.438 586 HG SER 13 HG SER 13 8.839 -0.776 16.662 587 HB2 SER 13 HB2 SER 13 10.022 -0.092 14.594 588 HB3 SER 13 HB3 SER 13 9.087 1.375 14.874 589 H LEU 14 H LEU 14 8.161 -1.923 12.507 590 HA LEU 14 HA LEU 14 7.730 -4.357 14.066 591 HG LEU 14 HG LEU 14 5.314 -4.489 12.914 592 HB2 LEU 14 HB2 LEU 14 7.643 -3.874 11.087 593 HB3 LEU 14 HB3 LEU 14 7.392 -5.417 11.846 594 HD11 LEU 14 HD11 LEU 14 4.337 -2.441 12.016 595 HD12 LEU 14 HD12 LEU 14 5.814 -2.158 11.084 596 HD13 LEU 14 HD13 LEU 14 5.867 -2.116 12.842 597 HD21 LEU 14 HD21 LEU 14 5.481 -4.375 9.927 598 HD22 LEU 14 HD22 LEU 14 3.996 -4.583 10.869 599 HD23 LEU 14 HD23 LEU 14 5.262 -5.816 10.906 600 H THR 15 H THR 15 9.439 -5.584 14.511 601 HA THR 15 HA THR 15 11.918 -5.059 13.122 602 HB THR 15 HB THR 15 12.843 -6.718 14.781 603 HG1 THR 15 HG1 THR 15 10.391 -7.393 15.021 604 HG21 THR 15 HG21 THR 15 11.275 -4.405 15.937 605 HG22 THR 15 HG22 THR 15 12.893 -4.303 15.244 606 HG23 THR 15 HG23 THR 15 12.623 -5.224 16.724 607 H THR 16 H THR 16 12.188 -6.040 11.299 608 HA THR 16 HA THR 16 11.681 -8.891 11.081 609 HB THR 16 HB THR 16 9.696 -7.812 10.125 610 HG1 THR 16 HG1 THR 16 9.842 -9.396 8.740 611 HG21 THR 16 HG21 THR 16 9.861 -6.291 8.184 612 HG22 THR 16 HG22 THR 16 11.619 -6.314 8.336 613 HG23 THR 16 HG23 THR 16 10.635 -5.615 9.618 614 H GLN 17 H GLN 17 12.550 -9.248 8.500 615 HA GLN 17 HA GLN 17 15.359 -8.700 8.862 616 HB2 GLN 17 HB2 GLN 17 15.795 -10.185 6.932 617 HB3 GLN 17 HB3 GLN 17 14.831 -10.971 8.160 618 HG2 GLN 17 HG2 GLN 17 13.735 -9.771 5.629 619 HG3 GLN 17 HG3 GLN 17 14.166 -11.471 5.785 620 HE21 GLN 17 HE21 GLN 17 13.075 -11.548 8.562 621 HE22 GLN 17 HE22 GLN 17 11.346 -11.546 8.352 622 H ARG 18 H ARG 18 15.658 -6.630 8.551 623 HA ARG 18 HA ARG 18 15.210 -5.670 5.848 624 HE ARG 18 HE ARG 18 14.447 -0.786 5.571 625 HB2 ARG 18 HB2 ARG 18 13.534 -4.706 7.064 626 HB3 ARG 18 HB3 ARG 18 14.552 -4.341 8.458 627 HG2 ARG 18 HG2 ARG 18 13.918 -2.308 7.307 628 HG3 ARG 18 HG3 ARG 18 15.644 -2.572 7.091 629 HD2 ARG 18 HD2 ARG 18 15.180 -3.479 4.837 630 HD3 ARG 18 HD3 ARG 18 13.462 -3.154 5.088 631 HH11 ARG 18 HH11 ARG 18 15.308 -2.989 2.902 632 HH12 ARG 18 HH12 ARG 18 15.761 -1.750 1.841 633 HH21 ARG 18 HH21 ARG 18 15.016 0.914 4.034 634 HH22 ARG 18 HH22 ARG 18 15.546 0.509 2.472 635 H LEU 19 H LEU 19 16.731 -4.405 4.974 636 HA LEU 19 HA LEU 19 19.367 -4.546 6.120 637 HG LEU 19 HG LEU 19 19.535 -5.346 2.404 638 HB2 LEU 19 HB2 LEU 19 18.411 -3.410 3.475 639 HB3 LEU 19 HB3 LEU 19 20.073 -3.665 3.928 640 HD11 LEU 19 HD11 LEU 19 20.859 -6.167 4.199 641 HD12 LEU 19 HD12 LEU 19 19.774 -7.431 3.623 642 HD13 LEU 19 HD13 LEU 19 19.411 -6.582 5.120 643 HD21 LEU 19 HD21 LEU 19 17.106 -5.222 2.422 644 HD22 LEU 19 HD22 LEU 19 17.057 -5.994 4.006 645 HD23 LEU 19 HD23 LEU 19 17.629 -6.893 2.604 646 HA PRO 20 HA PRO 20 19.316 -0.342 7.534 647 HB2 PRO 20 HB2 PRO 20 21.899 0.413 6.997 648 HB3 PRO 20 HB3 PRO 20 21.437 -0.561 8.393 649 HG2 PRO 20 HG2 PRO 20 22.595 -1.421 5.786 650 HG3 PRO 20 HG3 PRO 20 22.942 -2.022 7.412 651 HD2 PRO 20 HD2 PRO 20 21.326 -3.305 5.664 652 HD3 PRO 20 HD3 PRO 20 21.081 -3.402 7.431 653 H VAL 21 H VAL 21 19.055 1.642 6.731 654 HA VAL 21 HA VAL 21 19.563 2.098 3.896 655 HB VAL 21 HB VAL 21 17.188 1.421 4.196 656 HG11 VAL 21 HG11 VAL 21 16.934 3.880 5.899 657 HG12 VAL 21 HG12 VAL 21 16.770 2.203 6.423 658 HG13 VAL 21 HG13 VAL 21 15.590 2.902 5.311 659 HG21 VAL 21 HG21 VAL 21 16.142 3.282 2.979 660 HG22 VAL 21 HG22 VAL 21 17.742 2.900 2.338 661 HG23 VAL 21 HG23 VAL 21 17.518 4.304 3.383 662 H SER 22 H SER 22 20.113 4.206 3.367 663 HA SER 22 HA SER 22 21.028 5.754 5.596 664 HG SER 22 HG SER 22 22.874 5.049 4.609 665 HB2 SER 22 HB2 SER 22 21.276 6.232 2.631 666 HB3 SER 22 HB3 SER 22 22.097 7.160 3.891 667 H ARG 23 H ARG 23 18.373 5.896 3.378 668 HA ARG 23 HA ARG 23 17.669 8.513 4.514 669 HE ARG 23 HE ARG 23 16.716 10.786 2.074 670 HB2 ARG 23 HB2 ARG 23 16.803 7.247 1.921 671 HB3 ARG 23 HB3 ARG 23 16.230 8.790 2.531 672 HG2 ARG 23 HG2 ARG 23 19.081 8.145 1.798 673 HG3 ARG 23 HG3 ARG 23 17.946 9.053 0.799 674 HD2 ARG 23 HD2 ARG 23 18.943 9.839 3.537 675 HD3 ARG 23 HD3 ARG 23 19.440 10.539 2.000 676 HH11 ARG 23 HH11 ARG 23 19.415 11.908 4.035 677 HH12 ARG 23 HH12 ARG 23 18.662 13.356 4.534 678 HH21 ARG 23 HH21 ARG 23 15.656 12.743 2.719 679 HH22 ARG 23 HH22 ARG 23 16.440 13.850 3.750 680 H ILE 24 H ILE 24 15.869 8.657 5.676 681 HA ILE 24 HA ILE 24 14.265 6.260 6.029 682 HB ILE 24 HB ILE 24 14.152 8.939 7.462 683 HG12 ILE 24 HG12 ILE 24 16.236 7.744 7.958 684 HG13 ILE 24 HG13 ILE 24 15.188 7.769 9.367 685 HG21 ILE 24 HG21 ILE 24 12.730 6.359 8.121 686 HG22 ILE 24 HG22 ILE 24 11.982 7.840 7.518 687 HG23 ILE 24 HG23 ILE 24 12.722 7.815 9.118 688 HD11 ILE 24 HD11 ILE 24 15.613 5.437 7.498 689 HD12 ILE 24 HD12 ILE 24 14.524 5.452 8.888 690 HD13 ILE 24 HD13 ILE 24 16.260 5.614 9.129 691 H LYS 25 H LYS 25 12.604 5.995 4.792 692 HA LYS 25 HA LYS 25 11.582 8.287 3.325 693 HB2 LYS 25 HB2 LYS 25 10.995 5.362 2.889 694 HB3 LYS 25 HB3 LYS 25 10.476 6.692 1.881 695 HG2 LYS 25 HG2 LYS 25 13.335 5.911 2.356 696 HG3 LYS 25 HG3 LYS 25 12.378 5.501 0.933 697 HD2 LYS 25 HD2 LYS 25 12.104 7.900 0.450 698 HD3 LYS 25 HD3 LYS 25 13.090 8.277 1.870 699 HE2 LYS 25 HE2 LYS 25 14.955 7.113 0.933 700 HE3 LYS 25 HE3 LYS 25 13.993 6.625 -0.462 701 HZ1 LYS 25 HZ1 LYS 25 14.711 9.435 0.236 702 HZ2 LYS 25 HZ2 LYS 25 13.844 8.946 -1.133 703 HZ3 LYS 25 HZ3 LYS 25 15.447 8.491 -0.941 704 H THR 26 H THR 26 9.663 9.027 3.474 705 HA THR 26 HA THR 26 7.698 7.792 5.337 706 HB THR 26 HB THR 26 8.131 10.698 4.609 707 HG1 THR 26 HG1 THR 26 8.913 9.064 6.751 708 HG21 THR 26 HG21 THR 26 6.287 9.408 6.641 709 HG22 THR 26 HG22 THR 26 5.777 10.153 5.127 710 HG23 THR 26 HG23 THR 26 6.494 11.143 6.400 711 H TYR 27 H TYR 27 5.937 7.130 4.482 712 HA TYR 27 HA TYR 27 5.058 8.260 1.944 713 HD1 TYR 27 HD1 TYR 27 4.900 6.841 -0.559 714 HD2 TYR 27 HD2 TYR 27 7.614 5.333 2.319 715 HE1 TYR 27 HE1 TYR 27 6.629 6.865 -2.235 716 HE2 TYR 27 HE2 TYR 27 9.410 5.333 0.642 717 HH TYR 27 HH TYR 27 9.728 5.336 -1.710 718 HB2 TYR 27 HB2 TYR 27 5.234 5.365 2.714 719 HB3 TYR 27 HB3 TYR 27 4.114 5.933 1.476 720 H THR 28 H THR 28 3.126 8.921 1.948 721 HA THR 28 HA THR 28 1.542 8.138 4.257 722 HB THR 28 HB THR 28 0.488 10.391 4.268 723 HG1 THR 28 HG1 THR 28 1.614 10.554 1.820 724 HG21 THR 28 HG21 THR 28 3.481 10.628 4.181 725 HG22 THR 28 HG22 THR 28 2.633 9.965 5.560 726 HG23 THR 28 HG23 THR 28 2.392 11.656 5.088 727 H ILE 29 H ILE 29 -0.408 7.371 3.952 728 HA ILE 29 HA ILE 29 -1.633 7.665 1.316 729 HB ILE 29 HB ILE 29 -1.451 5.195 3.048 730 HG12 ILE 29 HG12 ILE 29 -0.654 5.760 0.189 731 HG13 ILE 29 HG13 ILE 29 0.424 5.560 1.562 732 HG21 ILE 29 HG21 ILE 29 -2.955 4.033 1.501 733 HG22 ILE 29 HG22 ILE 29 -3.269 5.552 0.657 734 HG23 ILE 29 HG23 ILE 29 -3.769 5.346 2.336 735 HD11 ILE 29 HD11 ILE 29 0.407 3.587 0.193 736 HD12 ILE 29 HD12 ILE 29 -1.349 3.462 0.365 737 HD13 ILE 29 HD13 ILE 29 -0.317 3.260 1.775 738 H THR 30 H THR 30 -3.754 8.191 1.320 739 HA THR 30 HA THR 30 -4.978 8.356 3.942 740 HB THR 30 HB THR 30 -4.420 10.608 3.211 741 HG1 THR 30 HG1 THR 30 -6.355 11.471 3.636 742 HG21 THR 30 HG21 THR 30 -6.104 10.064 0.778 743 HG22 THR 30 HG22 THR 30 -4.341 10.183 0.789 744 HG23 THR 30 HG23 THR 30 -5.323 11.591 1.200 745 H GLU 31 H GLU 31 -6.786 7.405 4.162 746 HA GLU 31 HA GLU 31 -8.319 6.617 1.812 747 HB2 GLU 31 HB2 GLU 31 -6.844 4.742 2.310 748 HB3 GLU 31 HB3 GLU 31 -7.364 4.739 3.982 749 HG2 GLU 31 HG2 GLU 31 -8.298 2.956 2.525 750 HG3 GLU 31 HG3 GLU 31 -9.481 3.899 3.425 751 H GLY 32 H GLY 32 -10.207 7.504 2.063 752 HA2 GLY 32 HA2 GLY 32 -12.289 7.902 2.935 753 HA3 GLY 32 HA3 GLY 32 -11.820 7.008 4.381 754 H SER 33 H SER 33 -10.192 8.093 5.669 755 HA SER 33 HA SER 33 -9.877 10.931 5.632 756 HG SER 33 HG SER 33 -10.463 12.207 7.414 757 HB2 SER 33 HB2 SER 33 -12.248 10.690 6.509 758 HB3 SER 33 HB3 SER 33 -11.615 9.730 7.840 759 H LEU 34 H LEU 34 -8.654 8.049 5.996 760 HA LEU 34 HA LEU 34 -7.398 8.312 8.576 761 HG LEU 34 HG LEU 34 -5.756 5.775 7.549 762 HB2 LEU 34 HB2 LEU 34 -8.546 6.357 8.314 763 HB3 LEU 34 HB3 LEU 34 -8.018 6.112 6.660 764 HD11 LEU 34 HD11 LEU 34 -5.520 5.079 9.934 765 HD12 LEU 34 HD12 LEU 34 -7.187 5.581 10.213 766 HD13 LEU 34 HD13 LEU 34 -5.967 6.773 9.758 767 HD21 LEU 34 HD21 LEU 34 -7.142 3.946 6.798 768 HD22 LEU 34 HD22 LEU 34 -7.870 3.797 8.391 769 HD23 LEU 34 HD23 LEU 34 -6.158 3.416 8.158 770 H ARG 35 H ARG 35 -5.360 9.029 8.597 771 HA ARG 35 HA ARG 35 -3.724 8.874 6.191 772 HE ARG 35 HE ARG 35 -3.772 13.407 5.526 773 HB2 ARG 35 HB2 ARG 35 -3.411 10.295 8.816 774 HB3 ARG 35 HB3 ARG 35 -2.065 10.124 7.705 775 HG2 ARG 35 HG2 ARG 35 -4.677 11.478 7.074 776 HG3 ARG 35 HG3 ARG 35 -3.199 12.306 7.573 777 HD2 ARG 35 HD2 ARG 35 -2.051 11.234 5.629 778 HD3 ARG 35 HD3 ARG 35 -3.631 10.659 5.100 779 HH11 ARG 35 HH11 ARG 35 -2.197 11.121 3.313 780 HH12 ARG 35 HH12 ARG 35 -2.099 12.216 2.025 781 HH21 ARG 35 HH21 ARG 35 -3.588 14.937 3.694 782 HH22 ARG 35 HH22 ARG 35 -2.914 14.372 2.240 783 H ALA 36 H ALA 36 -2.667 7.091 5.912 784 HA ALA 36 HA ALA 36 -1.529 5.701 8.224 785 HB1 ALA 36 HB1 ALA 36 -2.935 4.322 6.754 786 HB2 ALA 36 HB2 ALA 36 -1.252 3.804 6.670 787 HB3 ALA 36 HB3 ALA 36 -1.942 4.776 5.370 788 H VAL 37 H VAL 37 0.586 5.939 8.543 789 HA VAL 37 HA VAL 37 2.169 6.974 6.285 790 HB VAL 37 HB VAL 37 2.615 7.573 9.219 791 HG11 VAL 37 HG11 VAL 37 4.375 9.097 8.433 792 HG12 VAL 37 HG12 VAL 37 4.118 8.533 6.782 793 HG13 VAL 37 HG13 VAL 37 4.726 7.422 8.013 794 HG21 VAL 37 HG21 VAL 37 0.749 8.834 8.366 795 HG22 VAL 37 HG22 VAL 37 1.699 9.207 6.929 796 HG23 VAL 37 HG23 VAL 37 2.172 9.910 8.479 797 H ILE 38 H ILE 38 3.806 5.859 5.641 798 HA ILE 38 HA ILE 38 4.765 3.644 7.253 799 HB ILE 38 HB ILE 38 4.678 4.221 4.315 800 HG12 ILE 38 HG12 ILE 38 3.695 1.888 5.925 801 HG13 ILE 38 HG13 ILE 38 2.718 3.244 5.362 802 HG21 ILE 38 HG21 ILE 38 6.230 1.997 5.620 803 HG22 ILE 38 HG22 ILE 38 6.893 3.367 4.725 804 HG23 ILE 38 HG23 ILE 38 5.901 2.171 3.892 805 HD11 ILE 38 HD11 ILE 38 3.003 2.698 3.187 806 HD12 ILE 38 HD12 ILE 38 2.548 1.200 3.971 807 HD13 ILE 38 HD13 ILE 38 4.246 1.459 3.487 808 H PHE 39 H PHE 39 6.703 3.806 8.059 809 HA PHE 39 HA PHE 39 8.602 5.706 6.889 810 HD1 PHE 39 HD1 PHE 39 9.350 7.958 8.576 811 HD2 PHE 39 HD2 PHE 39 6.441 5.482 10.451 812 HE1 PHE 39 HE1 PHE 39 8.145 9.959 9.341 813 HE2 PHE 39 HE2 PHE 39 5.233 7.471 11.215 814 HZ PHE 39 HZ PHE 39 6.082 9.720 10.664 815 HB2 PHE 39 HB2 PHE 39 8.479 4.571 9.690 816 HB3 PHE 39 HB3 PHE 39 9.787 5.576 9.080 817 H ILE 40 H ILE 40 10.034 4.818 5.763 818 HA ILE 40 HA ILE 40 10.588 1.965 5.944 819 HB ILE 40 HB ILE 40 11.776 4.085 4.165 820 HG12 ILE 40 HG12 ILE 40 9.429 3.996 3.510 821 HG13 ILE 40 HG13 ILE 40 10.381 3.041 2.372 822 HG21 ILE 40 HG21 ILE 40 12.475 2.218 2.701 823 HG22 ILE 40 HG22 ILE 40 12.011 1.110 3.989 824 HG23 ILE 40 HG23 ILE 40 13.289 2.289 4.262 825 HD11 ILE 40 HD11 ILE 40 9.550 1.047 3.165 826 HD12 ILE 40 HD12 ILE 40 8.200 2.154 3.021 827 HD13 ILE 40 HD13 ILE 40 8.847 1.830 4.616 828 H THR 41 H THR 41 12.086 1.332 7.362 829 HA THR 41 HA THR 41 14.141 3.291 8.049 830 HB THR 41 HB THR 41 14.092 2.413 10.349 831 HG1 THR 41 HG1 THR 41 11.723 1.081 9.517 832 HG21 THR 41 HG21 THR 41 11.426 3.453 9.364 833 HG22 THR 41 HG22 THR 41 12.809 4.443 9.830 834 HG23 THR 41 HG23 THR 41 11.969 3.474 11.040 835 H LYS 42 H LYS 42 15.764 2.097 9.505 836 HA LYS 42 HA LYS 42 17.203 0.131 7.979 837 HB2 LYS 42 HB2 LYS 42 18.802 0.369 9.882 838 HB3 LYS 42 HB3 LYS 42 18.346 1.937 9.200 839 HG2 LYS 42 HG2 LYS 42 16.809 2.363 10.947 840 HG3 LYS 42 HG3 LYS 42 16.928 0.721 11.536 841 HD2 LYS 42 HD2 LYS 42 19.259 1.228 12.206 842 HD3 LYS 42 HD3 LYS 42 18.972 2.913 11.722 843 HE2 LYS 42 HE2 LYS 42 17.087 3.064 13.177 844 HE3 LYS 42 HE3 LYS 42 17.234 1.380 13.608 845 HZ1 LYS 42 HZ1 LYS 42 19.382 1.890 14.660 846 HZ2 LYS 42 HZ2 LYS 42 18.113 2.771 15.329 847 HZ3 LYS 42 HZ3 LYS 42 19.188 3.539 14.281 848 H ARG 43 H ARG 43 15.071 0.265 10.755 849 HA ARG 43 HA ARG 43 15.919 -2.264 11.918 850 HE ARG 43 HE ARG 43 13.928 -2.785 16.386 851 HB2 ARG 43 HB2 ARG 43 15.412 -0.232 13.271 852 HB3 ARG 43 HB3 ARG 43 13.752 -0.316 12.719 853 HG2 ARG 43 HG2 ARG 43 13.499 -2.479 13.836 854 HG3 ARG 43 HG3 ARG 43 15.177 -2.367 14.381 855 HD2 ARG 43 HD2 ARG 43 14.630 -0.284 15.563 856 HD3 ARG 43 HD3 ARG 43 12.947 -0.475 15.081 857 HH11 ARG 43 HH11 ARG 43 12.726 0.490 17.053 858 HH12 ARG 43 HH12 ARG 43 12.215 0.099 18.636 859 HH21 ARG 43 HH21 ARG 43 13.204 -3.271 18.542 860 HH22 ARG 43 HH22 ARG 43 12.504 -2.052 19.496 861 H GLY 44 H GLY 44 13.670 -0.975 9.859 862 HA2 GLY 44 HA2 GLY 44 12.734 -3.164 8.608 863 HA3 GLY 44 HA3 GLY 44 11.842 -3.234 10.108 864 H LEU 45 H LEU 45 9.978 -2.574 9.935 865 HA LEU 45 HA LEU 45 9.313 -0.357 8.122 866 HG LEU 45 HG LEU 45 6.229 -0.803 8.566 867 HB2 LEU 45 HB2 LEU 45 8.405 -2.476 7.331 868 HB3 LEU 45 HB3 LEU 45 7.687 -2.781 8.897 869 HD11 LEU 45 HD11 LEU 45 7.392 -0.802 5.798 870 HD12 LEU 45 HD12 LEU 45 7.543 0.466 7.019 871 HD13 LEU 45 HD13 LEU 45 5.967 0.103 6.319 872 HD21 LEU 45 HD21 LEU 45 4.733 -1.853 6.935 873 HD22 LEU 45 HD22 LEU 45 5.359 -3.031 8.084 874 HD23 LEU 45 HD23 LEU 45 6.022 -2.942 6.451 875 H LYS 46 H LYS 46 8.340 1.346 9.107 876 HA LYS 46 HA LYS 46 6.975 0.748 11.580 877 HB2 LYS 46 HB2 LYS 46 8.920 1.966 12.288 878 HB3 LYS 46 HB3 LYS 46 8.683 3.197 11.060 879 HG2 LYS 46 HG2 LYS 46 6.713 4.011 12.164 880 HG3 LYS 46 HG3 LYS 46 6.732 2.662 13.293 881 HD2 LYS 46 HD2 LYS 46 8.639 3.413 14.308 882 HD3 LYS 46 HD3 LYS 46 8.949 4.698 13.095 883 HE2 LYS 46 HE2 LYS 46 6.799 5.723 13.851 884 HE3 LYS 46 HE3 LYS 46 6.676 4.474 15.083 885 HZ1 LYS 46 HZ1 LYS 46 8.817 6.505 14.849 886 HZ2 LYS 46 HZ2 LYS 46 8.766 5.302 16.034 887 HZ3 LYS 46 HZ3 LYS 46 7.584 6.495 15.991 888 H VAL 47 H VAL 47 5.129 1.758 11.949 889 HA VAL 47 HA VAL 47 3.968 3.115 9.632 890 HB VAL 47 HB VAL 47 3.404 0.695 9.635 891 HG11 VAL 47 HG11 VAL 47 2.035 1.341 12.221 892 HG12 VAL 47 HG12 VAL 47 3.361 0.212 11.974 893 HG13 VAL 47 HG13 VAL 47 1.758 -0.140 11.309 894 HG21 VAL 47 HG21 VAL 47 1.916 2.265 8.535 895 HG22 VAL 47 HG22 VAL 47 1.105 2.586 10.069 896 HG23 VAL 47 HG23 VAL 47 0.969 0.996 9.318 897 H CYS 48 H CYS 48 2.561 4.687 10.131 898 HA CYS 48 HA CYS 48 1.733 4.969 12.925 899 HB2 CYS 48 HB2 CYS 48 2.716 7.151 11.099 900 HB3 CYS 48 HB3 CYS 48 1.721 7.489 12.507 901 H ALA 49 H ALA 49 -0.292 5.521 13.302 902 HA ALA 49 HA ALA 49 -2.027 5.813 10.948 903 HB1 ALA 49 HB1 ALA 49 -3.801 4.874 12.331 904 HB2 ALA 49 HB2 ALA 49 -2.671 4.718 13.680 905 HB3 ALA 49 HB3 ALA 49 -2.426 3.774 12.207 906 H ASP 50 H ASP 50 -2.941 7.680 10.808 907 HA ASP 50 HA ASP 50 -3.397 9.379 13.147 908 HB2 ASP 50 HB2 ASP 50 -1.370 10.145 11.989 909 HB3 ASP 50 HB3 ASP 50 -2.222 10.175 10.460 910 HA PRO 51 HA PRO 51 -7.081 8.959 10.634 911 HB2 PRO 51 HB2 PRO 51 -8.828 8.495 12.557 912 HB3 PRO 51 HB3 PRO 51 -7.632 7.285 12.073 913 HG2 PRO 51 HG2 PRO 51 -7.707 8.985 14.499 914 HG3 PRO 51 HG3 PRO 51 -7.014 7.374 14.277 915 HD2 PRO 51 HD2 PRO 51 -5.644 9.883 14.215 916 HD3 PRO 51 HD3 PRO 51 -4.975 8.270 13.883 917 H GLN 52 H GLN 52 -8.351 10.429 9.839 918 HA GLN 52 HA GLN 52 -9.854 12.055 9.569 919 HB2 GLN 52 HB2 GLN 52 -10.136 11.930 12.558 920 HB3 GLN 52 HB3 GLN 52 -11.272 12.665 11.434 921 HG2 GLN 52 HG2 GLN 52 -11.678 10.471 10.411 922 HG3 GLN 52 HG3 GLN 52 -10.539 9.735 11.519 923 HE21 GLN 52 HE21 GLN 52 -13.687 11.201 11.232 924 HE22 GLN 52 HE22 GLN 52 -14.268 10.711 12.770 925 H ALA 53 H ALA 53 -6.952 12.745 10.489 926 HA ALA 53 HA ALA 53 -7.409 15.297 11.709 927 HB1 ALA 53 HB1 ALA 53 -5.029 15.549 11.844 928 HB2 ALA 53 HB2 ALA 53 -4.796 14.164 10.778 929 HB3 ALA 53 HB3 ALA 53 -5.497 13.936 12.380 930 H THR 54 H THR 54 -5.537 14.527 8.752 931 HA THR 54 HA THR 54 -5.868 17.272 8.082 932 HB THR 54 HB THR 54 -4.349 16.714 6.124 933 HG1 THR 54 HG1 THR 54 -3.366 14.573 7.515 934 HG21 THR 54 HG21 THR 54 -3.575 17.886 8.131 935 HG22 THR 54 HG22 THR 54 -2.356 16.724 7.604 936 HG23 THR 54 HG23 THR 54 -3.397 16.348 8.975 937 H TRP 55 H TRP 55 -5.745 14.987 5.445 938 HA TRP 55 HA TRP 55 -8.400 15.827 4.535 939 HD1 TRP 55 HD1 TRP 55 -5.057 18.184 4.815 940 HE1 TRP 55 HE1 TRP 55 -5.780 20.638 5.120 941 HE3 TRP 55 HE3 TRP 55 -9.388 18.104 2.109 942 HZ2 TRP 55 HZ2 TRP 55 -7.889 22.313 4.315 943 HZ3 TRP 55 HZ3 TRP 55 -10.691 20.171 1.921 944 HH2 TRP 55 HH2 TRP 55 -9.959 22.233 3.001 945 HB2 TRP 55 HB2 TRP 55 -5.855 16.341 2.964 946 HB3 TRP 55 HB3 TRP 55 -7.479 16.506 2.326 947 H VAL 56 H VAL 56 -9.002 14.681 2.555 948 HA VAL 56 HA VAL 56 -7.434 12.273 2.130 949 HB VAL 56 HB VAL 56 -9.554 11.664 3.227 950 HG11 VAL 56 HG11 VAL 56 -10.976 13.484 2.556 951 HG12 VAL 56 HG12 VAL 56 -11.723 11.943 2.120 952 HG13 VAL 56 HG13 VAL 56 -10.945 12.927 0.884 953 HG21 VAL 56 HG21 VAL 56 -9.468 10.812 0.336 954 HG22 VAL 56 HG22 VAL 56 -10.370 9.993 1.610 955 HG23 VAL 56 HG23 VAL 56 -8.608 10.055 1.677 956 H ARG 57 H ARG 57 -6.342 12.604 0.399 957 HA ARG 57 HA ARG 57 -7.676 13.091 -2.122 958 HE ARG 57 HE ARG 57 -5.385 16.375 -5.291 959 HB2 ARG 57 HB2 ARG 57 -7.017 15.348 -1.357 960 HB3 ARG 57 HB3 ARG 57 -5.372 14.791 -1.118 961 HG2 ARG 57 HG2 ARG 57 -5.164 14.404 -3.538 962 HG3 ARG 57 HG3 ARG 57 -6.817 14.985 -3.758 963 HD2 ARG 57 HD2 ARG 57 -6.208 17.144 -2.841 964 HD3 ARG 57 HD3 ARG 57 -4.567 16.590 -2.554 965 HH11 ARG 57 HH11 ARG 57 -3.926 18.477 -2.849 966 HH12 ARG 57 HH12 ARG 57 -3.259 19.561 -3.978 967 HH21 ARG 57 HH21 ARG 57 -4.442 17.892 -6.856 968 HH22 ARG 57 HH22 ARG 57 -3.553 19.220 -6.277 969 H ASP 58 H ASP 58 -6.988 11.397 -3.269 970 HA ASP 58 HA ASP 58 -4.477 10.180 -2.533 971 HB2 ASP 58 HB2 ASP 58 -6.350 8.681 -2.708 972 HB3 ASP 58 HB3 ASP 58 -6.657 9.201 -4.365 973 H VAL 59 H VAL 59 -2.711 10.777 -3.456 974 HA VAL 59 HA VAL 59 -2.436 10.720 -6.261 975 HB VAL 59 HB VAL 59 -3.233 13.034 -6.076 976 HG11 VAL 59 HG11 VAL 59 -2.020 14.762 -4.823 977 HG12 VAL 59 HG12 VAL 59 -0.995 13.509 -4.124 978 HG13 VAL 59 HG13 VAL 59 -2.722 13.530 -3.772 979 HG21 VAL 59 HG21 VAL 59 -0.260 12.933 -6.581 980 HG22 VAL 59 HG22 VAL 59 -1.345 14.220 -7.107 981 HG23 VAL 59 HG23 VAL 59 -1.536 12.586 -7.747 982 H VAL 60 H VAL 60 -0.680 9.549 -6.494 983 HA VAL 60 HA VAL 60 1.317 9.626 -4.387 984 HB VAL 60 HB VAL 60 1.006 7.618 -6.641 985 HG11 VAL 60 HG11 VAL 60 2.726 7.531 -4.162 986 HG12 VAL 60 HG12 VAL 60 3.296 7.753 -5.814 987 HG13 VAL 60 HG13 VAL 60 2.555 6.225 -5.336 988 HG21 VAL 60 HG21 VAL 60 0.197 7.391 -3.742 989 HG22 VAL 60 HG22 VAL 60 0.128 6.089 -4.929 990 HG23 VAL 60 HG23 VAL 60 -0.897 7.512 -5.119 Start of MODEL 16 1 HA VAL 1 HA VAL 1 -3.585 -6.628 18.204 2 HB VAL 1 HB VAL 1 -3.125 -4.201 18.265 3 H1 VAL 1 1HT VAL 1 -2.227 -8.152 19.392 4 H2 VAL 1 2HT VAL 1 -3.073 -7.197 20.444 5 H3 VAL 1 3HT VAL 1 -1.443 -6.921 20.236 6 HG11 VAL 1 2HG1 VAL 1 -4.166 -3.735 20.445 7 HG12 VAL 1 3HG1 VAL 1 -3.832 -5.391 20.939 8 HG13 VAL 1 1HG1 VAL 1 -4.938 -5.076 19.603 9 HG21 VAL 1 1HG2 VAL 1 -0.795 -4.260 19.042 10 HG22 VAL 1 2HG2 VAL 1 -1.328 -4.856 20.614 11 HG23 VAL 1 3HG2 VAL 1 -1.776 -3.233 20.087 12 H GLY 2 H GLY 2 -0.211 -7.128 18.736 13 HA2 GLY 2 2HA GLY 2 0.691 -7.902 16.510 14 HA3 GLY 2 1HA GLY 2 0.350 -6.251 16.019 15 H SER 3 H SER 3 2.461 -8.339 17.673 16 HA SER 3 HA SER 3 4.398 -6.161 17.901 17 HG SER 3 HG SER 3 3.333 -5.561 19.950 18 HB2 SER 3 2HB SER 3 3.906 -8.335 19.955 19 HB3 SER 3 1HB SER 3 5.130 -7.068 20.051 20 H GLU 4 H GLU 4 3.617 -8.463 16.141 21 HA GLU 4 HA GLU 4 5.441 -10.583 16.413 22 HB2 GLU 4 2HB GLU 4 3.330 -10.887 15.286 23 HB3 GLU 4 1HB GLU 4 3.732 -9.653 14.113 24 HG2 GLU 4 2HG GLU 4 5.473 -11.084 13.190 25 HG3 GLU 4 1HG GLU 4 5.118 -12.312 14.404 26 H VAL 5 H VAL 5 7.506 -10.032 16.444 27 HA VAL 5 HA VAL 5 8.584 -8.804 14.027 28 HB VAL 5 HB VAL 5 10.540 -7.964 15.382 29 HG11 VAL 5 1HG1 VAL 5 8.732 -6.476 14.722 30 HG12 VAL 5 2HG1 VAL 5 9.376 -6.027 16.300 31 HG13 VAL 5 3HG1 VAL 5 7.841 -6.892 16.186 32 HG21 VAL 5 3HG2 VAL 5 8.778 -8.657 17.745 33 HG22 VAL 5 1HG2 VAL 5 10.276 -7.730 17.817 34 HG23 VAL 5 2HG2 VAL 5 10.311 -9.427 17.337 35 H SER 6 H SER 6 9.743 -10.074 12.853 36 HA SER 6 HA SER 6 11.645 -11.936 13.889 37 HG SER 6 HG SER 6 9.593 -12.684 14.947 38 HB2 SER 6 2HB SER 6 9.229 -12.963 12.333 39 HB3 SER 6 1HB SER 6 10.622 -13.923 12.827 40 H ASP 7 H ASP 7 12.446 -13.179 11.732 41 HA ASP 7 HA ASP 7 13.060 -11.141 9.778 42 HB2 ASP 7 2HB ASP 7 13.593 -14.118 9.667 43 HB3 ASP 7 1HB ASP 7 14.273 -12.932 8.567 44 H LYS 8 H LYS 8 10.452 -12.885 10.272 45 HA LYS 8 HA LYS 8 9.636 -13.499 7.528 46 HB2 LYS 8 2HB LYS 8 8.156 -13.700 10.152 47 HB3 LYS 8 1HB LYS 8 7.584 -14.313 8.615 48 HG2 LYS 8 2HG LYS 8 9.486 -15.851 8.549 49 HG3 LYS 8 1HG LYS 8 9.992 -15.272 10.142 50 HD2 LYS 8 2HD LYS 8 7.843 -16.037 11.060 51 HD3 LYS 8 1HD LYS 8 7.382 -16.613 9.455 52 HE2 LYS 8 2HE LYS 8 9.705 -17.598 11.109 53 HE3 LYS 8 1HE LYS 8 8.199 -18.459 10.807 54 HZ1 LYS 8 3HZ LYS 8 10.243 -17.731 8.769 55 HZ2 LYS 8 1HZ LYS 8 8.774 -18.506 8.434 56 HZ3 LYS 8 2HZ LYS 8 9.947 -19.260 9.380 57 H ARG 9 H ARG 9 7.170 -12.852 7.310 58 HA ARG 9 HA ARG 9 7.135 -10.046 6.992 59 HE ARG 9 HE ARG 9 6.094 -12.068 2.643 60 HB2 ARG 9 2HB ARG 9 4.825 -12.009 6.900 61 HB3 ARG 9 1HB ARG 9 4.834 -10.343 6.311 62 HG2 ARG 9 2HG ARG 9 6.441 -10.883 4.625 63 HG3 ARG 9 1HG ARG 9 6.595 -12.521 5.250 64 HD2 ARG 9 2HD ARG 9 4.298 -13.008 4.657 65 HD3 ARG 9 1HD ARG 9 4.029 -11.332 4.176 66 HH11 ARG 9 1HH1 ARG 9 2.894 -13.540 3.152 67 HH12 ARG 9 2HH1 ARG 9 2.793 -14.185 1.582 68 HH21 ARG 9 1HH2 ARG 9 5.924 -12.946 0.502 69 HH22 ARG 9 2HH2 ARG 9 4.543 -13.837 0.037 70 H THR 10 H THR 10 6.786 -8.597 8.524 71 HA THR 10 HA THR 10 5.585 -9.420 11.032 72 HB THR 10 HB THR 10 6.521 -7.215 11.777 73 HG1 THR 10 1HG THR 10 6.506 -6.361 9.590 74 HG21 THR 10 3HG2 THR 10 8.876 -7.929 11.726 75 HG22 THR 10 1HG2 THR 10 8.494 -9.086 10.449 76 HG23 THR 10 2HG2 THR 10 7.810 -9.296 12.060 77 H CYS 11 H CYS 11 3.492 -8.821 11.459 78 HA CYS 11 HA CYS 11 2.442 -6.488 9.996 79 HB2 CYS 11 2HB CYS 11 0.937 -9.031 10.683 80 HB3 CYS 11 1HB CYS 11 0.240 -7.597 9.945 81 H VAL 12 H VAL 12 1.023 -5.202 11.144 82 HA VAL 12 HA VAL 12 0.294 -5.885 13.923 83 HB VAL 12 HB VAL 12 1.690 -3.266 13.211 84 HG11 VAL 12 1HG1 VAL 12 0.652 -4.194 15.892 85 HG12 VAL 12 2HG1 VAL 12 -0.053 -2.925 14.886 86 HG13 VAL 12 3HG1 VAL 12 1.555 -2.718 15.574 87 HG21 VAL 12 3HG2 VAL 12 2.613 -5.499 15.001 88 HG22 VAL 12 1HG2 VAL 12 3.447 -3.964 14.735 89 HG23 VAL 12 2HG2 VAL 12 3.246 -5.098 13.400 90 H SER 13 H SER 13 -1.619 -4.980 14.637 91 HA SER 13 HA SER 13 -2.955 -3.191 12.754 92 HG SER 13 HG SER 13 -3.616 -5.437 15.265 93 HB2 SER 13 2HB SER 13 -5.087 -4.319 13.459 94 HB3 SER 13 1HB SER 13 -3.996 -5.337 12.528 95 H LEU 14 H LEU 14 -3.571 -1.349 13.605 96 HA LEU 14 HA LEU 14 -3.530 -1.051 16.526 97 HG LEU 14 HG LEU 14 -1.080 1.581 15.506 98 HB2 LEU 14 2HB LEU 14 -3.177 1.016 14.357 99 HB3 LEU 14 1HB LEU 14 -3.339 1.419 16.040 100 HD11 LEU 14 1HD1 LEU 14 -0.039 -0.005 17.017 101 HD12 LEU 14 2HD1 LEU 14 -1.501 -1.004 16.956 102 HD13 LEU 14 3HD1 LEU 14 -1.580 0.614 17.629 103 HD21 LEU 14 3HD2 LEU 14 -1.015 0.299 13.454 104 HD22 LEU 14 1HD2 LEU 14 -1.227 -1.201 14.354 105 HD23 LEU 14 2HD2 LEU 14 0.259 -0.262 14.544 106 H THR 15 H THR 15 -5.416 -0.901 17.516 107 HA THR 15 HA THR 15 -7.674 0.005 15.994 108 HB THR 15 HB THR 15 -8.916 -0.590 18.129 109 HG1 THR 15 1HG THR 15 -7.275 -0.486 19.614 110 HG21 THR 15 3HG2 THR 15 -7.252 -2.765 16.846 111 HG22 THR 15 1HG2 THR 15 -8.789 -2.149 16.240 112 HG23 THR 15 2HG2 THR 15 -8.729 -3.022 17.769 113 H THR 16 H THR 16 -7.989 2.023 15.892 114 HA THR 16 HA THR 16 -7.541 3.773 18.181 115 HB THR 16 HB THR 16 -5.593 4.042 16.809 116 HG1 THR 16 1HG THR 16 -5.683 6.104 16.992 117 HG21 THR 16 3HG2 THR 16 -6.397 3.037 14.751 118 HG22 THR 16 1HG2 THR 16 -5.684 4.613 14.408 119 HG23 THR 16 2HG2 THR 16 -7.443 4.421 14.450 120 H GLN 17 H GLN 17 -8.445 6.144 17.083 121 HA GLN 17 HA GLN 17 -11.272 5.595 17.033 122 HB2 GLN 17 2HB GLN 17 -11.615 8.058 17.043 123 HB3 GLN 17 1HB GLN 17 -10.562 7.522 18.339 124 HG2 GLN 17 2HG GLN 17 -8.615 8.262 17.069 125 HG3 GLN 17 1HG GLN 17 -9.673 8.759 15.749 126 HE21 GLN 17 1HE2 GLN 17 -7.829 10.254 17.378 127 HE22 GLN 17 2HE2 GLN 17 -8.708 11.591 18.070 128 H ARG 18 H ARG 18 -11.486 4.472 15.199 129 HA ARG 18 HA ARG 18 -11.487 6.111 12.771 130 HE ARG 18 HE ARG 18 -9.490 1.382 10.992 131 HB2 ARG 18 2HB ARG 18 -10.708 4.202 11.502 132 HB3 ARG 18 1HB ARG 18 -9.586 4.495 12.821 133 HG2 ARG 18 2HG ARG 18 -9.785 2.373 13.319 134 HG3 ARG 18 1HG ARG 18 -11.436 2.712 13.832 135 HD2 ARG 18 2HD ARG 18 -11.541 0.954 12.200 136 HD3 ARG 18 1HD ARG 18 -12.184 2.446 11.494 137 HH11 ARG 18 1HH1 ARG 18 -12.332 3.135 9.813 138 HH12 ARG 18 2HH1 ARG 18 -11.706 3.337 8.255 139 HH21 ARG 18 1HH2 ARG 18 -8.675 1.645 8.918 140 HH22 ARG 18 2HH2 ARG 18 -9.553 2.470 7.702 141 H LEU 19 H LEU 19 -13.211 5.938 11.507 142 HA LEU 19 HA LEU 19 -15.604 4.768 12.534 143 HG LEU 19 HG LEU 19 -15.153 5.003 8.773 144 HB2 LEU 19 2HB LEU 19 -16.694 5.651 10.574 145 HB3 LEU 19 1HB LEU 19 -15.558 6.857 11.125 146 HD11 LEU 19 1HD1 LEU 19 -16.884 6.623 8.322 147 HD12 LEU 19 2HD1 LEU 19 -15.433 7.021 7.400 148 HD13 LEU 19 3HD1 LEU 19 -15.830 7.936 8.853 149 HD21 LEU 19 3HD2 LEU 19 -13.250 6.448 8.187 150 HD22 LEU 19 1HD2 LEU 19 -13.012 5.632 9.727 151 HD23 LEU 19 2HD2 LEU 19 -13.464 7.338 9.697 152 HA PRO 20 HA PRO 20 -15.056 0.788 10.645 153 HB2 PRO 20 2HB PRO 20 -17.623 -0.032 10.368 154 HB3 PRO 20 1HB PRO 20 -16.807 0.034 11.935 155 HG2 PRO 20 2HG PRO 20 -18.721 1.985 10.719 156 HG3 PRO 20 1HG PRO 20 -18.623 1.401 12.389 157 HD2 PRO 20 2HD PRO 20 -17.611 3.802 11.592 158 HD3 PRO 20 1HD PRO 20 -16.923 2.846 12.933 159 H VAL 21 H VAL 21 -14.769 0.078 8.685 160 HA VAL 21 HA VAL 21 -16.155 1.339 6.391 161 HB VAL 21 HB VAL 21 -13.400 0.037 6.371 162 HG11 VAL 21 1HG1 VAL 21 -13.106 1.147 4.217 163 HG12 VAL 21 2HG1 VAL 21 -14.746 1.783 4.319 164 HG13 VAL 21 3HG1 VAL 21 -14.484 0.044 4.197 165 HG21 VAL 21 3HG2 VAL 21 -13.295 1.998 7.764 166 HG22 VAL 21 1HG2 VAL 21 -14.066 2.975 6.509 167 HG23 VAL 21 2HG2 VAL 21 -12.456 2.295 6.244 168 H SER 22 H SER 22 -16.960 -0.105 4.772 169 HA SER 22 HA SER 22 -17.412 -2.780 5.794 170 HG SER 22 HG SER 22 -18.981 -0.954 5.906 171 HB2 SER 22 2HB SER 22 -18.557 -1.406 3.366 172 HB3 SER 22 1HB SER 22 -19.101 -2.934 4.046 173 H ARG 23 H ARG 23 -15.047 -1.478 3.885 174 HA ARG 23 HA ARG 23 -14.632 -4.069 2.592 175 HE ARG 23 HE ARG 23 -12.628 -3.919 -1.930 176 HB2 ARG 23 2HB ARG 23 -15.585 -2.462 0.963 177 HB3 ARG 23 1HB ARG 23 -14.209 -1.411 1.243 178 HG2 ARG 23 2HG ARG 23 -12.705 -3.007 0.323 179 HG3 ARG 23 1HG ARG 23 -13.971 -4.231 0.245 180 HD2 ARG 23 2HD ARG 23 -15.201 -2.874 -1.276 181 HD3 ARG 23 1HD ARG 23 -13.925 -1.644 -1.261 182 HH11 ARG 23 1HH1 ARG 23 -15.472 -2.357 -3.334 183 HH12 ARG 23 2HH1 ARG 23 -15.135 -2.903 -4.920 184 HH21 ARG 23 1HH2 ARG 23 -12.205 -4.679 -4.086 185 HH22 ARG 23 2HH2 ARG 23 -13.270 -4.228 -5.343 186 H ILE 24 H ILE 24 -12.449 -4.643 2.307 187 HA ILE 24 HA ILE 24 -10.587 -3.274 4.089 188 HB ILE 24 HB ILE 24 -10.317 -5.885 2.557 189 HG12 ILE 24 2HG1 ILE 24 -12.038 -6.022 4.299 190 HG13 ILE 24 1HG1 ILE 24 -10.644 -7.009 4.720 191 HG21 ILE 24 1HG2 ILE 24 -8.366 -6.329 3.985 192 HG22 ILE 24 2HG2 ILE 24 -8.529 -4.721 4.693 193 HG23 ILE 24 3HG2 ILE 24 -8.137 -4.900 2.982 194 HD11 ILE 24 3HD1 ILE 24 -11.278 -4.283 5.807 195 HD12 ILE 24 1HD1 ILE 24 -9.888 -5.271 6.246 196 HD13 ILE 24 2HD1 ILE 24 -11.520 -5.819 6.647 197 H LYS 25 H LYS 25 -9.226 -1.844 3.240 198 HA LYS 25 HA LYS 25 -8.792 -1.940 0.343 199 HB2 LYS 25 2HB LYS 25 -7.981 0.283 2.239 200 HB3 LYS 25 1HB LYS 25 -7.854 0.267 0.503 201 HG2 LYS 25 2HG LYS 25 -10.442 0.190 2.023 202 HG3 LYS 25 1HG LYS 25 -9.738 1.605 1.236 203 HD2 LYS 25 2HD LYS 25 -9.834 0.378 -0.929 204 HD3 LYS 25 1HD LYS 25 -10.641 -0.944 -0.077 205 HE2 LYS 25 2HE LYS 25 -12.262 0.444 -1.184 206 HE3 LYS 25 1HE LYS 25 -12.436 0.536 0.567 207 HZ1 LYS 25 3HZ LYS 25 -11.117 2.581 -1.153 208 HZ2 LYS 25 1HZ LYS 25 -11.275 2.729 0.506 209 HZ3 LYS 25 2HZ LYS 25 -12.641 2.702 -0.477 210 H THR 26 H THR 26 -6.948 -2.477 -0.524 211 HA THR 26 HA THR 26 -4.667 -3.064 1.243 212 HB THR 26 HB THR 26 -3.965 -4.496 -0.712 213 HG1 THR 26 1HG THR 26 -6.521 -4.714 -1.650 214 HG21 THR 26 3HG2 THR 26 -5.040 -5.483 1.267 215 HG22 THR 26 1HG2 THR 26 -5.536 -6.324 -0.202 216 HG23 THR 26 2HG2 THR 26 -6.627 -5.169 0.563 217 H TYR 27 H TYR 27 -2.962 -1.871 1.079 218 HA TYR 27 HA TYR 27 -2.483 -0.436 -1.408 219 HD1 TYR 27 1HD TYR 27 -4.811 0.779 1.400 220 HD2 TYR 27 2HD TYR 27 -2.524 2.492 -1.734 221 HE1 TYR 27 1HE TYR 27 -6.799 1.998 0.622 222 HE2 TYR 27 2HE TYR 27 -4.460 3.688 -2.531 223 HH TYR 27 HH TYR 27 -7.469 3.786 -0.728 224 HB2 TYR 27 2HB TYR 27 -2.385 0.666 1.375 225 HB3 TYR 27 1HB TYR 27 -1.450 1.391 0.059 226 H THR 28 H THR 28 -0.611 -0.633 -2.231 227 HA THR 28 HA THR 28 1.317 -2.130 -0.640 228 HB THR 28 HB THR 28 2.082 -3.136 -2.827 229 HG1 THR 28 1HG THR 28 1.350 -1.982 -4.477 230 HG21 THR 28 3HG2 THR 28 0.163 -4.665 -3.068 231 HG22 THR 28 1HG2 THR 28 -0.842 -3.545 -2.148 232 HG23 THR 28 2HG2 THR 28 0.505 -4.362 -1.366 233 H ILE 29 H ILE 29 3.294 -1.305 -0.375 234 HA ILE 29 HA ILE 29 4.370 0.516 -2.385 235 HB ILE 29 HB ILE 29 4.434 0.963 0.604 236 HG12 ILE 29 2HG1 ILE 29 3.310 2.629 -1.654 237 HG13 ILE 29 1HG1 ILE 29 2.384 1.742 -0.451 238 HG21 ILE 29 1HG2 ILE 29 5.962 2.500 -1.519 239 HG22 ILE 29 2HG2 ILE 29 6.655 1.459 -0.279 240 HG23 ILE 29 3HG2 ILE 29 5.855 2.944 0.185 241 HD11 ILE 29 3HD1 ILE 29 2.401 4.068 0.132 242 HD12 ILE 29 1HD1 ILE 29 4.159 4.080 -0.041 243 HD13 ILE 29 2HD1 ILE 29 3.435 3.169 1.271 244 H THR 30 H THR 30 6.259 -0.322 -3.064 245 HA THR 30 HA THR 30 7.736 -1.823 -1.062 246 HB THR 30 HB THR 30 7.064 -3.303 -2.929 247 HG1 THR 30 1HG THR 30 9.279 -3.236 -1.843 248 HG21 THR 30 3HG2 THR 30 8.722 -1.452 -4.665 249 HG22 THR 30 1HG2 THR 30 6.972 -1.646 -4.752 250 HG23 THR 30 2HG2 THR 30 8.034 -2.987 -5.189 251 H GLU 31 H GLU 31 9.596 -1.086 -0.467 252 HA GLU 31 HA GLU 31 10.820 0.994 -2.098 253 HB2 GLU 31 2HB GLU 31 9.820 2.027 -0.155 254 HB3 GLU 31 1HB GLU 31 10.569 0.851 0.911 255 HG2 GLU 31 2HG GLU 31 11.666 3.043 0.973 256 HG3 GLU 31 1HG GLU 31 12.738 1.744 0.458 257 H GLY 32 H GLY 32 12.404 -0.016 -3.027 258 HA2 GLY 32 2HA GLY 32 14.462 -0.975 -3.259 259 HA3 GLY 32 1HA GLY 32 14.657 -0.777 -1.528 260 H SER 33 H SER 33 14.133 -2.405 -0.174 261 HA SER 33 HA SER 33 13.955 -5.033 -1.480 262 HG SER 33 HG SER 33 16.173 -3.811 -1.276 263 HB2 SER 33 2HB SER 33 15.336 -4.278 1.066 264 HB3 SER 33 1HB SER 33 15.288 -5.895 0.358 265 H LEU 34 H LEU 34 12.177 -2.991 0.586 266 HA LEU 34 HA LEU 34 10.893 -5.377 1.674 267 HG LEU 34 HG LEU 34 9.897 -1.872 2.672 268 HB2 LEU 34 2HB LEU 34 10.041 -4.153 3.608 269 HB3 LEU 34 1HB LEU 34 11.788 -4.028 3.556 270 HD11 LEU 34 1HD1 LEU 34 10.369 -0.864 4.897 271 HD12 LEU 34 2HD1 LEU 34 11.265 -2.314 5.339 272 HD13 LEU 34 3HD1 LEU 34 9.535 -2.412 5.026 273 HD21 LEU 34 3HD2 LEU 34 12.206 -1.721 1.820 274 HD22 LEU 34 1HD2 LEU 34 12.811 -1.768 3.479 275 HD23 LEU 34 2HD2 LEU 34 11.802 -0.422 2.926 276 H ARG 35 H ARG 35 8.850 -5.636 1.559 277 HA ARG 35 HA ARG 35 7.328 -3.680 -0.082 278 HE ARG 35 HE ARG 35 9.877 -6.881 -2.734 279 HB2 ARG 35 2HB ARG 35 6.583 -6.592 0.366 280 HB3 ARG 35 1HB ARG 35 5.773 -5.467 -0.699 281 HG2 ARG 35 2HG ARG 35 7.008 -6.888 -2.106 282 HG3 ARG 35 1HG ARG 35 7.951 -5.402 -2.025 283 HD2 ARG 35 2HD ARG 35 9.411 -6.408 -0.354 284 HD3 ARG 35 1HD ARG 35 8.446 -7.882 -0.382 285 HH11 ARG 35 1HH1 ARG 35 9.013 -9.554 -0.517 286 HH12 ARG 35 2HH1 ARG 35 9.934 -10.706 -1.349 287 HH21 ARG 35 1HH2 ARG 35 11.117 -8.535 -3.886 288 HH22 ARG 35 2HH2 ARG 35 11.142 -10.132 -3.301 289 H ALA 36 H ALA 36 5.871 -2.473 1.033 290 HA ALA 36 HA ALA 36 4.875 -3.595 3.540 291 HB1 ALA 36 1HB ALA 36 4.495 -1.276 4.227 292 HB2 ALA 36 2HB ALA 36 5.100 -0.715 2.668 293 HB3 ALA 36 3HB ALA 36 6.185 -1.538 3.790 294 H VAL 37 H VAL 37 2.786 -3.954 3.740 295 HA VAL 37 HA VAL 37 0.965 -2.848 1.714 296 HB VAL 37 HB VAL 37 0.689 -5.557 3.071 297 HG11 VAL 37 1HG1 VAL 37 -1.207 -5.898 1.548 298 HG12 VAL 37 2HG1 VAL 37 -1.004 -4.259 0.930 299 HG13 VAL 37 3HG1 VAL 37 -1.474 -4.518 2.610 300 HG21 VAL 37 3HG2 VAL 37 0.978 -6.463 0.801 301 HG22 VAL 37 1HG2 VAL 37 2.443 -5.637 1.390 302 HG23 VAL 37 2HG2 VAL 37 1.352 -4.834 0.249 303 H ILE 38 H ILE 38 -0.614 -1.662 2.492 304 HA ILE 38 HA ILE 38 -1.083 -1.620 5.339 305 HB ILE 38 HB ILE 38 -1.534 0.268 3.052 306 HG12 ILE 38 2HG1 ILE 38 0.006 0.608 5.602 307 HG13 ILE 38 1HG1 ILE 38 0.698 0.120 4.056 308 HG21 ILE 38 1HG2 ILE 38 -3.511 0.411 4.477 309 HG22 ILE 38 2HG2 ILE 38 -2.508 1.852 4.533 310 HG23 ILE 38 3HG2 ILE 38 -2.470 0.708 5.889 311 HD11 ILE 38 3HD1 ILE 38 -0.807 2.687 4.449 312 HD12 ILE 38 1HD1 ILE 38 0.136 2.102 3.078 313 HD13 ILE 38 2HD1 ILE 38 0.955 2.521 4.605 314 H PHE 39 H PHE 39 -2.876 -2.490 6.042 315 HA PHE 39 HA PHE 39 -5.028 -3.052 4.145 316 HD1 PHE 39 1HD PHE 39 -5.573 -5.871 3.671 317 HD2 PHE 39 2HD PHE 39 -2.265 -5.320 6.287 318 HE1 PHE 39 1HE PHE 39 -4.344 -7.636 2.481 319 HE2 PHE 39 2HE PHE 39 -1.036 -7.081 5.104 320 HZ PHE 39 HZ PHE 39 -2.068 -8.244 3.200 321 HB2 PHE 39 2HB PHE 39 -4.375 -4.367 6.792 322 HB3 PHE 39 1HB PHE 39 -5.802 -4.711 5.834 323 H ILE 40 H ILE 40 -6.499 -1.640 4.267 324 HA ILE 40 HA ILE 40 -6.947 -0.167 6.729 325 HB ILE 40 HB ILE 40 -8.369 -0.032 4.064 326 HG12 ILE 40 2HG1 ILE 40 -6.022 0.684 3.696 327 HG13 ILE 40 1HG1 ILE 40 -7.086 2.066 3.672 328 HG21 ILE 40 1HG2 ILE 40 -9.770 0.808 5.818 329 HG22 ILE 40 2HG2 ILE 40 -9.208 2.150 4.815 330 HG23 ILE 40 3HG2 ILE 40 -8.469 1.851 6.391 331 HD11 ILE 40 3HD1 ILE 40 -6.366 2.740 5.860 332 HD12 ILE 40 1HD1 ILE 40 -4.980 2.448 4.807 333 HD13 ILE 40 2HD1 ILE 40 -5.394 1.251 6.011 334 H THR 41 H THR 41 -8.173 -1.136 8.203 335 HA THR 41 HA THR 41 -10.169 -3.067 7.310 336 HB THR 41 HB THR 41 -9.949 -4.081 9.548 337 HG1 THR 41 1HG THR 41 -7.996 -3.331 10.722 338 HG21 THR 41 3HG2 THR 41 -7.286 -3.713 8.158 339 HG22 THR 41 1HG2 THR 41 -8.510 -4.905 7.727 340 HG23 THR 41 2HG2 THR 41 -7.683 -5.012 9.281 341 H LYS 42 H LYS 42 -11.801 -3.297 9.327 342 HA LYS 42 HA LYS 42 -13.071 -0.677 9.520 343 HB2 LYS 42 2HB LYS 42 -15.014 -1.892 10.285 344 HB3 LYS 42 1HB LYS 42 -14.395 -2.688 8.849 345 HG2 LYS 42 2HG LYS 42 -13.102 -3.920 10.987 346 HG3 LYS 42 1HG LYS 42 -14.768 -3.725 11.517 347 HD2 LYS 42 2HD LYS 42 -14.517 -5.869 10.436 348 HD3 LYS 42 1HD LYS 42 -15.494 -4.820 9.406 349 HE2 LYS 42 2HE LYS 42 -13.636 -4.356 7.998 350 HE3 LYS 42 1HE LYS 42 -12.523 -5.187 9.052 351 HZ1 LYS 42 3HZ LYS 42 -13.194 -6.564 7.097 352 HZ2 LYS 42 1HZ LYS 42 -14.778 -6.467 7.570 353 HZ3 LYS 42 2HZ LYS 42 -13.684 -7.287 8.533 354 H ARG 43 H ARG 43 -11.019 -2.640 11.235 355 HA ARG 43 HA ARG 43 -11.955 -1.795 13.870 356 HE ARG 43 HE ARG 43 -13.151 -6.611 13.660 357 HB2 ARG 43 2HB ARG 43 -9.803 -3.782 13.131 358 HB3 ARG 43 1HB ARG 43 -10.351 -3.429 14.763 359 HG2 ARG 43 2HG ARG 43 -12.564 -4.271 14.224 360 HG3 ARG 43 1HG ARG 43 -12.052 -4.588 12.569 361 HD2 ARG 43 2HD ARG 43 -10.334 -6.148 13.459 362 HD3 ARG 43 1HD ARG 43 -10.996 -5.888 15.074 363 HH11 ARG 43 1HH1 ARG 43 -9.976 -8.116 14.122 364 HH12 ARG 43 2HH1 ARG 43 -10.499 -9.700 13.860 365 HH21 ARG 43 1HH2 ARG 43 -13.907 -8.824 13.265 366 HH22 ARG 43 2HH2 ARG 43 -12.778 -10.105 13.318 367 H GLY 44 H GLY 44 -9.471 -1.219 11.546 368 HA2 GLY 44 2HA GLY 44 -8.567 1.103 12.778 369 HA3 GLY 44 1HA GLY 44 -7.581 -0.192 13.417 370 H LEU 45 H LEU 45 -5.758 0.080 12.591 371 HA LEU 45 HA LEU 45 -5.431 0.230 9.680 372 HG LEU 45 HG LEU 45 -2.780 3.030 10.025 373 HB2 LEU 45 2HB LEU 45 -4.957 2.431 10.552 374 HB3 LEU 45 1HB LEU 45 -4.019 1.784 11.864 375 HD11 LEU 45 1HD1 LEU 45 -1.809 0.245 10.728 376 HD12 LEU 45 2HD1 LEU 45 -1.489 1.738 11.602 377 HD13 LEU 45 3HD1 LEU 45 -0.835 1.522 9.994 378 HD21 LEU 45 3HD2 LEU 45 -3.912 2.089 8.094 379 HD22 LEU 45 1HD2 LEU 45 -3.293 0.485 8.494 380 HD23 LEU 45 2HD2 LEU 45 -2.179 1.764 8.013 381 H LYS 46 H LYS 46 -4.377 -1.492 8.947 382 HA LYS 46 HA LYS 46 -2.471 -2.680 10.766 383 HB2 LYS 46 2HB LYS 46 -4.364 -4.180 10.669 384 HB3 LYS 46 1HB LYS 46 -4.341 -4.155 8.911 385 HG2 LYS 46 2HG LYS 46 -2.254 -5.317 8.839 386 HG3 LYS 46 1HG LYS 46 -2.056 -5.167 10.583 387 HD2 LYS 46 2HD LYS 46 -3.859 -6.573 10.979 388 HD3 LYS 46 1HD LYS 46 -4.277 -6.683 9.241 389 HE2 LYS 46 2HE LYS 46 -2.067 -7.742 8.890 390 HE3 LYS 46 1HE LYS 46 -1.764 -7.634 10.622 391 HZ1 LYS 46 3HZ LYS 46 -3.937 -9.184 9.345 392 HZ2 LYS 46 1HZ LYS 46 -3.643 -9.087 11.001 393 HZ3 LYS 46 2HZ LYS 46 -2.517 -9.815 9.986 394 H VAL 47 H VAL 47 -0.672 -3.431 9.952 395 HA VAL 47 HA VAL 47 -0.109 -2.763 7.160 396 HB VAL 47 HB VAL 47 0.706 -0.954 8.697 397 HG11 VAL 47 1HG1 VAL 47 2.722 -1.382 10.059 398 HG12 VAL 47 2HG1 VAL 47 2.530 -3.107 9.738 399 HG13 VAL 47 3HG1 VAL 47 1.291 -2.237 10.635 400 HG21 VAL 47 3HG2 VAL 47 1.731 -1.274 6.506 401 HG22 VAL 47 1HG2 VAL 47 2.852 -2.453 7.182 402 HG23 VAL 47 2HG2 VAL 47 2.930 -0.760 7.687 403 H CYS 48 H CYS 48 1.174 -4.179 6.166 404 HA CYS 48 HA CYS 48 2.468 -6.214 7.805 405 HB2 CYS 48 2HB CYS 48 0.946 -6.578 5.252 406 HB3 CYS 48 1HB CYS 48 2.188 -7.721 5.752 407 H ALA 49 H ALA 49 4.468 -6.613 7.408 408 HA ALA 49 HA ALA 49 5.687 -5.195 5.134 409 HB1 ALA 49 1HB ALA 49 6.945 -5.985 7.738 410 HB2 ALA 49 2HB ALA 49 6.356 -4.370 7.363 411 HB3 ALA 49 3HB ALA 49 7.712 -5.058 6.457 412 H ASP 50 H ASP 50 6.441 -6.454 3.658 413 HA ASP 50 HA ASP 50 7.300 -9.153 4.352 414 HB2 ASP 50 2HB ASP 50 5.532 -9.281 2.722 415 HB3 ASP 50 1HB ASP 50 6.285 -8.051 1.720 416 HA PRO 51 HA PRO 51 11.173 -7.190 3.412 417 HB2 PRO 51 2HB PRO 51 12.714 -8.864 4.793 418 HB3 PRO 51 1HB PRO 51 11.710 -7.663 5.620 419 HG2 PRO 51 2HG PRO 51 11.188 -10.578 5.190 420 HG3 PRO 51 1HG PRO 51 10.980 -9.613 6.665 421 HD2 PRO 51 2HD PRO 51 8.934 -10.233 4.976 422 HD3 PRO 51 1HD PRO 51 8.965 -8.763 5.968 423 H GLN 52 H GLN 52 12.822 -7.746 2.148 424 HA GLN 52 HA GLN 52 12.858 -9.276 0.002 425 HB2 GLN 52 2HB GLN 52 15.428 -9.460 0.511 426 HB3 GLN 52 1HB GLN 52 14.663 -7.921 0.165 427 HG2 GLN 52 2HG GLN 52 14.509 -7.355 2.431 428 HG3 GLN 52 1HG GLN 52 15.036 -8.933 2.972 429 HE21 GLN 52 1HE2 GLN 52 16.568 -7.302 0.281 430 HE22 GLN 52 2HE2 GLN 52 18.045 -6.947 1.079 431 H ALA 53 H ALA 53 14.088 -10.511 3.117 432 HA ALA 53 HA ALA 53 14.279 -12.539 4.034 433 HB1 ALA 53 1HB ALA 53 11.907 -12.807 3.425 434 HB2 ALA 53 2HB ALA 53 12.780 -14.339 3.421 435 HB3 ALA 53 3HB ALA 53 12.396 -13.543 1.896 436 H THR 54 H THR 54 14.126 -13.400 0.595 437 HA THR 54 HA THR 54 16.408 -15.123 0.947 438 HB THR 54 HB THR 54 15.925 -15.646 -1.504 439 HG1 THR 54 1HG THR 54 13.934 -14.867 -2.318 440 HG21 THR 54 3HG2 THR 54 13.650 -16.017 0.463 441 HG22 THR 54 1HG2 THR 54 15.065 -17.059 0.342 442 HG23 THR 54 2HG2 THR 54 13.915 -16.974 -0.996 443 H TRP 55 H TRP 55 15.626 -12.965 -1.723 444 HA TRP 55 HA TRP 55 17.714 -11.151 -1.332 445 HD1 TRP 55 HD TRP 55 20.122 -10.874 -1.494 446 HE1 TRP 55 1HE TRP 55 21.632 -9.309 -2.988 447 HE3 TRP 55 3HE TRP 55 18.450 -12.362 -6.013 448 HZ2 TRP 55 2HZ TRP 55 21.979 -8.847 -5.768 449 HZ3 TRP 55 3HZ TRP 55 19.381 -11.342 -8.055 450 HH2 TRP 55 HH TRP 55 21.111 -9.623 -7.929 451 HB2 TRP 55 2HB TRP 55 18.938 -13.217 -2.215 452 HB3 TRP 55 1HB TRP 55 18.002 -13.028 -3.697 453 H VAL 56 H VAL 56 17.572 -9.536 -3.108 454 HA VAL 56 HA VAL 56 15.154 -9.787 -4.720 455 HB VAL 56 HB VAL 56 14.558 -7.417 -4.258 456 HG11 VAL 56 1HG1 VAL 56 13.360 -9.147 -3.074 457 HG12 VAL 56 2HG1 VAL 56 13.590 -7.745 -2.032 458 HG13 VAL 56 3HG1 VAL 56 14.599 -9.179 -1.823 459 HG21 VAL 56 3HG2 VAL 56 16.641 -7.616 -2.085 460 HG22 VAL 56 1HG2 VAL 56 15.512 -6.279 -2.296 461 HG23 VAL 56 2HG2 VAL 56 16.730 -6.608 -3.526 462 H ARG 57 H ARG 57 15.078 -8.233 -6.423 463 HA ARG 57 HA ARG 57 17.671 -7.119 -7.149 464 HE ARG 57 HE ARG 57 15.130 -8.398 -11.001 465 HB2 ARG 57 2HB ARG 57 16.953 -9.034 -8.643 466 HB3 ARG 57 1HB ARG 57 15.473 -8.160 -8.996 467 HG2 ARG 57 2HG ARG 57 16.687 -6.469 -10.172 468 HG3 ARG 57 1HG ARG 57 18.231 -7.160 -9.667 469 HD2 ARG 57 2HD ARG 57 17.686 -7.714 -11.983 470 HD3 ARG 57 1HD ARG 57 17.780 -9.153 -10.973 471 HH11 ARG 57 1HH1 ARG 57 17.497 -9.348 -13.455 472 HH12 ARG 57 2HH1 ARG 57 16.341 -10.067 -14.474 473 HH21 ARG 57 1HH2 ARG 57 13.584 -9.384 -12.388 474 HH22 ARG 57 2HH2 ARG 57 14.069 -10.104 -13.861 475 H ASP 58 H ASP 58 16.918 -5.170 -8.924 476 HA ASP 58 HA ASP 58 15.566 -3.451 -7.152 477 HB2 ASP 58 2HB ASP 58 16.562 -2.951 -9.942 478 HB3 ASP 58 1HB ASP 58 15.717 -1.731 -9.001 479 H VAL 59 H VAL 59 13.613 -4.137 -6.769 480 HA VAL 59 HA VAL 59 11.609 -4.066 -8.888 481 HB VAL 59 HB VAL 59 11.245 -4.666 -5.928 482 HG11 VAL 59 1HG1 VAL 59 9.079 -5.613 -6.586 483 HG12 VAL 59 2HG1 VAL 59 9.371 -5.119 -8.252 484 HG13 VAL 59 3HG1 VAL 59 9.191 -3.899 -6.990 485 HG21 VAL 59 3HG2 VAL 59 12.672 -6.352 -6.958 486 HG22 VAL 59 1HG2 VAL 59 11.487 -6.592 -8.243 487 HG23 VAL 59 2HG2 VAL 59 11.092 -7.034 -6.581 488 H VAL 60 H VAL 60 10.859 -2.114 -9.349 489 HA VAL 60 HA VAL 60 10.725 -0.103 -7.233 490 HB VAL 60 HB VAL 60 10.761 1.568 -9.094 491 HG11 VAL 60 1HG1 VAL 60 13.115 -0.319 -8.946 492 HG12 VAL 60 2HG1 VAL 60 12.800 1.024 -7.847 493 HG13 VAL 60 3HG1 VAL 60 13.175 1.337 -9.543 494 HG21 VAL 60 3HG2 VAL 60 9.982 0.120 -10.889 495 HG22 VAL 60 1HG2 VAL 60 11.456 -0.843 -10.765 496 HG23 VAL 60 2HG2 VAL 60 11.542 0.831 -11.303 497 HA VAL 1 HA VAL 1 9.281 -2.164 19.468 498 HB VAL 1 HB VAL 1 8.226 -3.278 17.524 499 H1 VAL 1 H VAL 1 8.487 -2.392 21.603 500 HG11 VAL 1 1HG1 VAL 1 8.691 -5.603 18.183 501 HG12 VAL 1 2HG1 VAL 1 8.707 -5.101 19.868 502 HG13 VAL 1 3HG1 VAL 1 9.930 -4.484 18.753 503 HG21 VAL 1 3HG2 VAL 1 5.897 -3.238 18.259 504 HG22 VAL 1 1HG2 VAL 1 6.269 -4.381 19.548 505 HG23 VAL 1 2HG2 VAL 1 6.390 -4.881 17.860 506 H GLY 2 H GLY 2 6.643 -1.216 20.934 507 HA2 GLY 2 2HA GLY 2 6.031 1.131 20.636 508 HA3 GLY 2 1HA GLY 2 6.088 0.848 18.903 509 H SER 3 H SER 3 4.742 -1.803 20.415 510 HA SER 3 HA SER 3 2.233 -1.436 19.252 511 HG SER 3 HG SER 3 2.926 -3.897 18.702 512 HB2 SER 3 2HB SER 3 3.048 -3.311 21.472 513 HB3 SER 3 1HB SER 3 1.625 -3.476 20.438 514 H GLU 4 H GLU 4 1.108 0.326 19.895 515 HA GLU 4 HA GLU 4 0.034 0.258 22.585 516 HB2 GLU 4 2HB GLU 4 1.808 1.871 22.783 517 HB3 GLU 4 1HB GLU 4 1.289 2.688 21.315 518 HG2 GLU 4 2HG GLU 4 -0.855 3.240 22.449 519 HG3 GLU 4 1HG GLU 4 -0.202 2.542 23.924 520 H VAL 5 H VAL 5 -2.081 0.429 22.480 521 HA VAL 5 HA VAL 5 -3.251 1.569 20.071 522 HB VAL 5 HB VAL 5 -5.401 0.473 20.770 523 HG11 VAL 5 1HG1 VAL 5 -4.730 -1.785 20.160 524 HG12 VAL 5 2HG1 VAL 5 -3.040 -1.383 20.479 525 HG13 VAL 5 3HG1 VAL 5 -3.911 -0.592 19.160 526 HG21 VAL 5 3HG2 VAL 5 -4.978 0.294 23.182 527 HG22 VAL 5 1HG2 VAL 5 -3.666 -0.841 22.871 528 HG23 VAL 5 2HG2 VAL 5 -5.325 -1.292 22.490 529 H SER 6 H SER 6 -4.239 3.440 20.096 530 HA SER 6 HA SER 6 -5.458 4.510 22.456 531 HG SER 6 HG SER 6 -3.277 4.199 23.171 532 HB2 SER 6 2HB SER 6 -3.083 5.888 21.140 533 HB3 SER 6 1HB SER 6 -4.092 6.592 22.401 534 H ASP 7 H ASP 7 -6.369 6.800 21.744 535 HA ASP 7 HA ASP 7 -7.617 6.405 19.157 536 HB2 ASP 7 2HB ASP 7 -7.992 8.622 21.196 537 HB3 ASP 7 1HB ASP 7 -8.963 8.388 19.750 538 H LYS 8 H LYS 8 -5.008 7.972 20.463 539 HA LYS 8 HA LYS 8 -4.777 10.068 18.501 540 HB2 LYS 8 2HB LYS 8 -2.794 8.942 20.473 541 HB3 LYS 8 1HB LYS 8 -2.480 10.326 19.446 542 HG2 LYS 8 2HG LYS 8 -4.341 11.516 20.504 543 HG3 LYS 8 1HG LYS 8 -4.608 10.127 21.557 544 HD2 LYS 8 2HD LYS 8 -2.387 10.382 22.488 545 HD3 LYS 8 1HD LYS 8 -2.057 11.733 21.405 546 HE2 LYS 8 2HE LYS 8 -4.177 11.622 23.547 547 HE3 LYS 8 1HE LYS 8 -2.677 12.547 23.608 548 HZ1 LYS 8 3HZ LYS 8 -4.946 12.986 21.723 549 HZ2 LYS 8 1HZ LYS 8 -3.487 13.846 21.689 550 HZ3 LYS 8 2HZ LYS 8 -4.501 13.958 23.007 551 H ARG 9 H ARG 9 -2.312 10.029 17.576 552 HA ARG 9 HA ARG 9 -2.476 8.177 15.440 553 HE ARG 9 HE ARG 9 -2.343 12.811 13.684 554 HB2 ARG 9 2HB ARG 9 -0.160 9.942 16.243 555 HB3 ARG 9 1HB ARG 9 -0.383 9.121 14.698 556 HG2 ARG 9 2HG ARG 9 -2.294 10.446 14.193 557 HG3 ARG 9 1HG ARG 9 -2.247 11.207 15.778 558 HD2 ARG 9 2HD ARG 9 -0.067 12.145 15.265 559 HD3 ARG 9 1HD ARG 9 -0.104 11.397 13.661 560 HH11 ARG 9 1HH1 ARG 9 0.998 13.684 14.529 561 HH12 ARG 9 2HH1 ARG 9 0.836 15.332 14.136 562 HH21 ARG 9 1HH2 ARG 9 -2.567 15.104 13.136 563 HH22 ARG 9 2HH2 ARG 9 -1.250 16.165 13.315 564 H THR 10 H THR 10 -2.149 6.104 15.772 565 HA THR 10 HA THR 10 -0.252 5.207 17.714 566 HB THR 10 HB THR 10 -1.166 2.969 17.016 567 HG1 THR 10 1HG THR 10 -1.848 3.856 14.915 568 HG21 THR 10 3HG2 THR 10 -3.348 3.322 18.105 569 HG22 THR 10 1HG2 THR 10 -3.163 5.064 17.890 570 HG23 THR 10 2HG2 THR 10 -2.066 4.187 18.952 571 H CYS 11 H CYS 11 1.780 4.502 17.199 572 HA CYS 11 HA CYS 11 2.305 3.822 14.394 573 HB2 CYS 11 2HB CYS 11 4.153 5.333 16.278 574 HB3 CYS 11 1HB CYS 11 4.521 4.847 14.634 575 H VAL 12 H VAL 12 3.788 2.166 14.199 576 HA VAL 12 HA VAL 12 5.109 1.024 16.587 577 HB VAL 12 HB VAL 12 3.432 -0.740 14.730 578 HG11 VAL 12 1HG1 VAL 12 4.976 -1.462 17.208 579 HG12 VAL 12 2HG1 VAL 12 5.373 -1.919 15.554 580 HG13 VAL 12 3HG1 VAL 12 3.915 -2.556 16.326 581 HG21 VAL 12 3HG2 VAL 12 1.982 -1.171 16.711 582 HG22 VAL 12 1HG2 VAL 12 1.953 0.517 16.188 583 HG23 VAL 12 2HG2 VAL 12 2.902 0.045 17.589 584 H SER 13 H SER 13 7.055 -0.119 16.157 585 HA SER 13 HA SER 13 7.845 -0.025 13.346 586 HG SER 13 HG SER 13 8.947 0.695 16.670 587 HB2 SER 13 2HB SER 13 10.199 0.272 14.158 588 HB3 SER 13 1HB SER 13 9.142 1.612 14.583 589 H LEU 14 H LEU 14 8.359 -1.879 12.421 590 HA LEU 14 HA LEU 14 8.557 -4.253 14.110 591 HG LEU 14 HG LEU 14 5.778 -5.202 11.821 592 HB2 LEU 14 2HB LEU 14 7.799 -3.934 11.210 593 HB3 LEU 14 1HB LEU 14 8.094 -5.482 11.939 594 HD11 LEU 14 1HD1 LEU 14 6.604 -6.217 13.827 595 HD12 LEU 14 2HD1 LEU 14 5.102 -5.351 14.143 596 HD13 LEU 14 3HD1 LEU 14 6.643 -4.654 14.638 597 HD21 LEU 14 3HD2 LEU 14 5.670 -2.781 11.521 598 HD22 LEU 14 1HD2 LEU 14 6.112 -2.542 13.211 599 HD23 LEU 14 2HD2 LEU 14 4.563 -3.292 12.800 600 H THR 15 H THR 15 10.444 -5.122 14.390 601 HA THR 15 HA THR 15 12.523 -4.491 12.505 602 HB THR 15 HB THR 15 13.982 -5.672 14.167 603 HG1 THR 15 1HG THR 15 12.322 -6.920 15.077 604 HG21 THR 15 3HG2 THR 15 12.318 -3.379 15.226 605 HG22 THR 15 1HG2 THR 15 13.745 -3.243 14.198 606 HG23 THR 15 2HG2 THR 15 13.899 -3.867 15.838 607 H THR 16 H THR 16 12.641 -5.708 10.885 608 HA THR 16 HA THR 16 12.481 -8.617 11.177 609 HB THR 16 HB THR 16 10.463 -7.800 9.998 610 HG1 THR 16 1HG THR 16 10.661 -9.551 8.903 611 HG21 THR 16 3HG2 THR 16 10.636 -6.671 7.804 612 HG22 THR 16 1HG2 THR 16 12.389 -6.606 7.993 613 HG23 THR 16 2HG2 THR 16 11.353 -5.699 9.093 614 H GLN 17 H GLN 17 13.448 -9.309 8.713 615 HA GLN 17 HA GLN 17 16.167 -8.413 8.952 616 HB2 GLN 17 2HB GLN 17 16.719 -10.035 7.151 617 HB3 GLN 17 1HB GLN 17 15.919 -10.755 8.534 618 HG2 GLN 17 2HG GLN 17 13.812 -10.750 7.274 619 HG3 GLN 17 1HG GLN 17 14.697 -10.077 5.898 620 HE21 GLN 17 1HE2 GLN 17 13.285 -12.662 6.327 621 HE22 GLN 17 2HE2 GLN 17 14.423 -13.883 5.882 622 H ARG 18 H ARG 18 16.797 -6.734 8.222 623 HA ARG 18 HA ARG 18 15.765 -5.766 5.740 624 HE ARG 18 HE ARG 18 17.742 -2.740 8.215 625 HB2 ARG 18 2HB ARG 18 16.048 -3.372 6.833 626 HB3 ARG 18 1HB ARG 18 14.573 -4.299 6.963 627 HG2 ARG 18 2HG ARG 18 15.323 -3.150 9.068 628 HG3 ARG 18 1HG ARG 18 15.010 -4.865 9.226 629 HD2 ARG 18 2HD ARG 18 17.006 -4.133 10.465 630 HD3 ARG 18 1HD ARG 18 17.388 -5.323 9.229 631 HH11 ARG 18 1HH1 ARG 18 19.194 -5.008 10.521 632 HH12 ARG 18 2HH1 ARG 18 20.774 -4.401 10.332 633 HH21 ARG 18 1HH2 ARG 18 19.905 -1.959 7.932 634 HH22 ARG 18 2HH2 ARG 18 21.203 -2.632 8.811 635 H LEU 19 H LEU 19 16.961 -4.398 4.543 636 HA LEU 19 HA LEU 19 19.788 -4.778 4.505 637 HG LEU 19 HG LEU 19 18.255 -1.556 3.188 638 HB2 LEU 19 2HB LEU 19 19.698 -3.462 2.471 639 HB3 LEU 19 1HB LEU 19 18.302 -4.502 2.489 640 HD11 LEU 19 1HD1 LEU 19 18.835 -1.858 0.874 641 HD12 LEU 19 2HD1 LEU 19 17.191 -1.237 1.014 642 HD13 LEU 19 3HD1 LEU 19 17.457 -2.942 0.645 643 HD21 LEU 19 3HD2 LEU 19 15.793 -1.767 2.880 644 HD22 LEU 19 1HD2 LEU 19 16.385 -2.711 4.239 645 HD23 LEU 19 2HD2 LEU 19 15.978 -3.509 2.721 646 HA PRO 20 HA PRO 20 20.958 -1.005 6.711 647 HB2 PRO 20 2HB PRO 20 22.756 0.186 4.977 648 HB3 PRO 20 1HB PRO 20 23.187 -1.108 6.094 649 HG2 PRO 20 2HG PRO 20 22.588 -1.229 3.182 650 HG3 PRO 20 1HG PRO 20 23.775 -2.150 4.126 651 HD2 PRO 20 2HD PRO 20 21.404 -3.161 3.304 652 HD3 PRO 20 1HD PRO 20 22.200 -3.706 4.804 653 H VAL 21 H VAL 21 20.002 0.880 6.848 654 HA VAL 21 HA VAL 21 19.017 2.233 4.437 655 HB VAL 21 HB VAL 21 17.464 1.884 7.038 656 HG11 VAL 21 1HG1 VAL 21 17.055 4.067 6.030 657 HG12 VAL 21 2HG1 VAL 21 15.626 3.039 5.901 658 HG13 VAL 21 3HG1 VAL 21 16.657 3.295 4.495 659 HG21 VAL 21 3HG2 VAL 21 15.855 0.605 5.693 660 HG22 VAL 21 1HG2 VAL 21 17.447 -0.154 5.697 661 HG23 VAL 21 2HG2 VAL 21 16.910 0.761 4.289 662 H SER 22 H SER 22 19.704 4.258 4.370 663 HA SER 22 HA SER 22 20.995 5.365 6.720 664 HG SER 22 HG SER 22 22.257 4.417 4.939 665 HB2 SER 22 2HB SER 22 20.850 6.453 3.895 666 HB3 SER 22 1HB SER 22 21.895 7.032 5.191 667 H ARG 23 H ARG 23 18.992 6.842 4.208 668 HA ARG 23 HA ARG 23 17.866 8.683 6.150 669 HE ARG 23 HE ARG 23 16.059 12.714 3.790 670 HB2 ARG 23 2HB ARG 23 18.873 9.483 4.050 671 HB3 ARG 23 1HB ARG 23 17.672 8.573 3.156 672 HG2 ARG 23 2HG ARG 23 15.911 9.953 4.036 673 HG3 ARG 23 1HG ARG 23 17.065 10.816 5.058 674 HD2 ARG 23 2HD ARG 23 18.273 11.538 3.183 675 HD3 ARG 23 1HD ARG 23 17.231 10.659 2.072 676 HH11 ARG 23 1HH1 ARG 23 16.994 11.694 0.523 677 HH12 ARG 23 2HH1 ARG 23 16.199 12.962 -0.280 678 HH21 ARG 23 1HH2 ARG 23 14.941 14.466 2.685 679 HH22 ARG 23 2HH2 ARG 23 15.010 14.592 0.992 680 H ILE 24 H ILE 24 15.598 8.895 6.382 681 HA ILE 24 HA ILE 24 14.238 6.363 6.158 682 HB ILE 24 HB ILE 24 13.291 8.969 7.383 683 HG12 ILE 24 2HG1 ILE 24 15.287 8.237 8.531 684 HG13 ILE 24 1HG1 ILE 24 13.893 7.939 9.561 685 HG21 ILE 24 1HG2 ILE 24 12.244 6.159 7.717 686 HG22 ILE 24 2HG2 ILE 24 11.448 7.472 6.854 687 HG23 ILE 24 3HG2 ILE 24 11.669 7.573 8.601 688 HD11 ILE 24 3HD1 ILE 24 15.389 5.898 7.928 689 HD12 ILE 24 1HD1 ILE 24 13.956 5.581 8.906 690 HD13 ILE 24 2HD1 ILE 24 15.454 6.107 9.676 691 H LYS 25 H LYS 25 12.629 5.931 4.822 692 HA LYS 25 HA LYS 25 11.867 8.031 2.915 693 HB2 LYS 25 2HB LYS 25 11.203 5.069 2.615 694 HB3 LYS 25 1HB LYS 25 11.198 6.384 1.441 695 HG2 LYS 25 2HG LYS 25 13.677 5.246 2.670 696 HG3 LYS 25 1HG LYS 25 13.050 4.861 1.066 697 HD2 LYS 25 2HD LYS 25 13.621 7.565 2.038 698 HD3 LYS 25 1HD LYS 25 14.868 6.651 1.163 699 HE2 LYS 25 2HE LYS 25 12.153 7.609 0.144 700 HE3 LYS 25 1HE LYS 25 13.715 8.258 -0.316 701 HZ1 LYS 25 3HZ LYS 25 14.241 6.081 -1.317 702 HZ2 LYS 25 1HZ LYS 25 12.916 6.836 -2.010 703 HZ3 LYS 25 2HZ LYS 25 12.662 5.539 -0.991 704 H THR 26 H THR 26 9.933 8.924 3.085 705 HA THR 26 HA THR 26 7.952 7.750 4.930 706 HB THR 26 HB THR 26 7.064 10.092 4.945 707 HG1 THR 26 1HG THR 26 7.807 11.215 3.339 708 HG21 THR 26 3HG2 THR 26 9.948 9.788 5.802 709 HG22 THR 26 1HG2 THR 26 8.541 9.291 6.741 710 HG23 THR 26 2HG2 THR 26 8.819 11.000 6.406 711 H TYR 27 H TYR 27 6.170 7.007 4.163 712 HA TYR 27 HA TYR 27 5.274 7.936 1.550 713 HD1 TYR 27 1HD TYR 27 7.838 5.183 2.194 714 HD2 TYR 27 2HD TYR 27 5.098 6.222 -0.866 715 HE1 TYR 27 1HE TYR 27 9.646 5.045 0.547 716 HE2 TYR 27 2HE TYR 27 6.854 6.109 -2.519 717 HH TYR 27 HH TYR 27 10.002 4.803 -1.734 718 HB2 TYR 27 2HB TYR 27 5.431 5.120 2.540 719 HB3 TYR 27 1HB TYR 27 4.317 5.602 1.254 720 H THR 28 H THR 28 3.340 8.564 1.428 721 HA THR 28 HA THR 28 1.758 8.241 3.855 722 HB THR 28 HB THR 28 0.833 10.538 3.369 723 HG1 THR 28 1HG THR 28 1.211 11.024 1.311 724 HG21 THR 28 3HG2 THR 28 3.847 10.378 3.605 725 HG22 THR 28 1HG2 THR 28 2.729 10.256 4.954 726 HG23 THR 28 2HG2 THR 28 2.860 11.762 4.053 727 H ILE 29 H ILE 29 -0.276 7.486 3.689 728 HA ILE 29 HA ILE 29 -1.624 7.580 1.091 729 HB ILE 29 HB ILE 29 -1.384 5.179 2.918 730 HG12 ILE 29 2HG1 ILE 29 -0.622 5.621 0.026 731 HG13 ILE 29 1HG1 ILE 29 0.477 5.452 1.386 732 HG21 ILE 29 1HG2 ILE 29 -2.939 3.965 1.450 733 HG22 ILE 29 2HG2 ILE 29 -3.244 5.443 0.540 734 HG23 ILE 29 3HG2 ILE 29 -3.719 5.332 2.234 735 HD11 ILE 29 3HD1 ILE 29 0.437 3.407 0.147 736 HD12 ILE 29 1HD1 ILE 29 -1.324 3.397 0.204 737 HD13 ILE 29 2HD1 ILE 29 -0.418 3.143 1.686 738 H THR 30 H THR 30 -3.550 8.514 1.279 739 HA THR 30 HA THR 30 -4.837 8.385 3.890 740 HB THR 30 HB THR 30 -4.306 10.718 3.281 741 HG1 THR 30 1HG THR 30 -6.159 11.461 3.928 742 HG21 THR 30 3HG2 THR 30 -6.025 10.242 0.849 743 HG22 THR 30 1HG2 THR 30 -4.283 10.509 0.851 744 HG23 THR 30 2HG2 THR 30 -5.371 11.808 1.348 745 H GLU 31 H GLU 31 -6.657 7.376 4.039 746 HA GLU 31 HA GLU 31 -8.150 6.706 1.614 747 HB2 GLU 31 2HB GLU 31 -6.846 4.741 2.101 748 HB3 GLU 31 1HB GLU 31 -7.266 4.808 3.798 749 HG2 GLU 31 2HG GLU 31 -8.403 3.001 2.571 750 HG3 GLU 31 1HG GLU 31 -9.524 4.127 3.319 751 H GLY 32 H GLY 32 -9.777 8.046 1.944 752 HA2 GLY 32 2HA GLY 32 -11.831 8.670 2.710 753 HA3 GLY 32 1HA GLY 32 -11.774 7.301 3.814 754 H SER 33 H SER 33 -10.781 7.549 5.783 755 HA SER 33 HA SER 33 -10.617 10.343 6.716 756 HG SER 33 HG SER 33 -13.017 9.105 6.509 757 HB2 SER 33 2HB SER 33 -11.686 7.958 8.190 758 HB3 SER 33 1HB SER 33 -11.509 9.572 8.858 759 H LEU 34 H LEU 34 -8.826 7.391 6.472 760 HA LEU 34 HA LEU 34 -7.268 8.361 8.729 761 HG LEU 34 HG LEU 34 -6.249 5.234 6.917 762 HB2 LEU 34 2HB LEU 34 -6.304 6.187 9.163 763 HB3 LEU 34 1HB LEU 34 -8.049 6.045 9.166 764 HD11 LEU 34 1HD1 LEU 34 -6.612 2.925 7.801 765 HD12 LEU 34 2HD1 LEU 34 -7.466 3.625 9.171 766 HD13 LEU 34 3HD1 LEU 34 -5.752 3.955 8.943 767 HD21 LEU 34 3HD2 LEU 34 -8.579 5.631 6.263 768 HD22 LEU 34 1HD2 LEU 34 -9.126 4.543 7.539 769 HD23 LEU 34 2HD2 LEU 34 -8.176 3.924 6.177 770 H ARG 35 H ARG 35 -5.337 8.801 8.647 771 HA ARG 35 HA ARG 35 -3.997 8.673 6.017 772 HE ARG 35 HE ARG 35 -6.501 12.757 6.589 773 HB2 ARG 35 2HB ARG 35 -3.153 10.335 8.417 774 HB3 ARG 35 1HB ARG 35 -2.386 10.347 6.848 775 HG2 ARG 35 2HG ARG 35 -3.639 12.325 6.955 776 HG3 ARG 35 1HG ARG 35 -4.609 11.245 5.956 777 HD2 ARG 35 2HD ARG 35 -5.999 10.712 7.894 778 HD3 ARG 35 1HD ARG 35 -5.008 11.762 8.901 779 HH11 ARG 35 1HH1 ARG 35 -5.541 13.054 10.028 780 HH12 ARG 35 2HH1 ARG 35 -6.482 14.426 10.308 781 HH21 ARG 35 1HH2 ARG 35 -7.827 14.674 7.015 782 HH22 ARG 35 2HH2 ARG 35 -7.827 15.355 8.581 783 H ALA 36 H ALA 36 -2.556 7.121 5.761 784 HA ALA 36 HA ALA 36 -1.236 6.048 8.151 785 HB1 ALA 36 1HB ALA 36 -2.640 4.416 6.972 786 HB2 ALA 36 2HB ALA 36 -0.936 3.978 6.870 787 HB3 ALA 36 3HB ALA 36 -1.743 4.717 5.487 788 H VAL 37 H VAL 37 0.918 6.123 8.247 789 HA VAL 37 HA VAL 37 2.376 6.969 5.834 790 HB VAL 37 HB VAL 37 3.040 7.842 8.668 791 HG11 VAL 37 1HG1 VAL 37 4.718 9.290 7.605 792 HG12 VAL 37 2HG1 VAL 37 4.321 8.589 6.036 793 HG13 VAL 37 3HG1 VAL 37 5.037 7.583 7.294 794 HG21 VAL 37 3HG2 VAL 37 1.096 9.055 7.905 795 HG22 VAL 37 1HG2 VAL 37 1.905 9.350 6.356 796 HG23 VAL 37 2HG2 VAL 37 2.533 10.105 7.813 797 H ILE 38 H ILE 38 4.005 5.713 5.265 798 HA ILE 38 HA ILE 38 4.846 3.604 7.044 799 HB ILE 38 HB ILE 38 4.872 4.057 4.074 800 HG12 ILE 38 2HG1 ILE 38 3.667 1.854 5.722 801 HG13 ILE 38 1HG1 ILE 38 2.809 3.279 5.142 802 HG21 ILE 38 1HG2 ILE 38 6.185 1.761 5.526 803 HG22 ILE 38 2HG2 ILE 38 7.004 3.050 4.630 804 HG23 ILE 38 3HG2 ILE 38 5.945 1.919 3.781 805 HD11 ILE 38 3HD1 ILE 38 3.030 2.697 2.994 806 HD12 ILE 38 1HD1 ILE 38 2.483 1.233 3.779 807 HD13 ILE 38 2HD1 ILE 38 4.194 1.372 3.276 808 H PHE 39 H PHE 39 6.745 3.834 7.929 809 HA PHE 39 HA PHE 39 8.682 5.692 6.751 810 HD1 PHE 39 1HD PHE 39 9.362 8.019 8.517 811 HD2 PHE 39 2HD PHE 39 6.298 5.540 10.103 812 HE1 PHE 39 1HE PHE 39 8.083 10.021 9.160 813 HE2 PHE 39 2HE PHE 39 5.018 7.534 10.751 814 HZ PHE 39 HZ PHE 39 5.910 9.778 10.280 815 HB2 PHE 39 2HB PHE 39 8.450 4.656 9.584 816 HB3 PHE 39 1HB PHE 39 9.756 5.666 8.993 817 H ILE 40 H ILE 40 10.116 4.716 5.649 818 HA ILE 40 HA ILE 40 10.752 1.936 6.194 819 HB ILE 40 HB ILE 40 11.919 3.857 4.164 820 HG12 ILE 40 2HG1 ILE 40 9.532 3.564 3.603 821 HG13 ILE 40 1HG1 ILE 40 10.518 2.651 2.491 822 HG21 ILE 40 1HG2 ILE 40 12.718 1.829 3.004 823 HG22 ILE 40 2HG2 ILE 40 12.168 0.876 4.384 824 HG23 ILE 40 3HG2 ILE 40 13.448 2.071 4.592 825 HD11 ILE 40 3HD1 ILE 40 9.950 0.590 3.582 826 HD12 ILE 40 1HD1 ILE 40 8.491 1.529 3.183 827 HD13 ILE 40 2HD1 ILE 40 9.058 1.488 4.831 828 H THR 41 H THR 41 12.206 1.508 7.683 829 HA THR 41 HA THR 41 14.133 3.619 8.411 830 HB THR 41 HB THR 41 13.860 2.884 10.767 831 HG1 THR 41 1HG THR 41 11.670 1.391 9.758 832 HG21 THR 41 3HG2 THR 41 11.271 3.695 9.425 833 HG22 THR 41 1HG2 THR 41 12.516 4.805 9.995 834 HG23 THR 41 2HG2 THR 41 11.603 3.834 11.151 835 H LYS 42 H LYS 42 15.786 2.577 10.014 836 HA LYS 42 HA LYS 42 16.992 0.329 8.680 837 HB2 LYS 42 2HB LYS 42 18.796 0.678 10.334 838 HB3 LYS 42 1HB LYS 42 18.487 2.072 9.317 839 HG2 LYS 42 2HG LYS 42 16.847 2.470 11.515 840 HG3 LYS 42 1HG LYS 42 18.303 1.754 12.203 841 HD2 LYS 42 2HD LYS 42 18.484 4.167 12.157 842 HD3 LYS 42 1HD LYS 42 19.664 3.438 11.060 843 HE2 LYS 42 2HE LYS 42 18.170 3.878 9.153 844 HE3 LYS 42 1HE LYS 42 16.979 4.530 10.220 845 HZ1 LYS 42 3HZ LYS 42 19.712 5.705 9.870 846 HZ2 LYS 42 1HZ LYS 42 18.487 6.359 10.801 847 HZ3 LYS 42 2HZ LYS 42 18.331 6.315 9.133 848 H ARG 43 H ARG 43 14.766 0.764 11.137 849 HA ARG 43 HA ARG 43 15.346 -1.784 12.402 850 HE ARG 43 HE ARG 43 14.925 1.034 16.451 851 HB2 ARG 43 2HB ARG 43 12.993 0.112 12.612 852 HB3 ARG 43 1HB ARG 43 13.055 -1.427 13.438 853 HG2 ARG 43 2HG ARG 43 15.040 -0.634 14.673 854 HG3 ARG 43 1HG ARG 43 14.867 0.930 13.866 855 HD2 ARG 43 2HD ARG 43 12.689 1.250 14.837 856 HD3 ARG 43 1HD ARG 43 12.714 -0.375 15.519 857 HH11 ARG 43 1HH1 ARG 43 11.380 1.088 16.829 858 HH12 ARG 43 2HH1 ARG 43 11.457 1.672 18.425 859 HH21 ARG 43 1HH2 ARG 43 14.967 1.818 18.655 860 HH22 ARG 43 2HH2 ARG 43 13.502 2.090 19.480 861 H GLY 44 H GLY 44 13.908 -0.454 9.708 862 HA2 GLY 44 2HA GLY 44 13.327 -2.079 7.952 863 HA3 GLY 44 1HA GLY 44 12.457 -2.968 9.196 864 H LEU 45 H LEU 45 10.404 -2.425 9.669 865 HA LEU 45 HA LEU 45 9.319 -0.283 8.001 866 HG LEU 45 HG LEU 45 6.451 -2.511 6.809 867 HB2 LEU 45 2HB LEU 45 8.765 -2.448 7.083 868 HB3 LEU 45 1HB LEU 45 8.169 -3.004 8.620 869 HD11 LEU 45 1HD1 LEU 45 4.813 -1.474 8.312 870 HD12 LEU 45 2HD1 LEU 45 6.101 -1.086 9.449 871 HD13 LEU 45 3HD1 LEU 45 5.691 -2.772 9.086 872 HD21 LEU 45 3HD2 LEU 45 7.141 0.339 7.487 873 HD22 LEU 45 1HD2 LEU 45 5.778 -0.187 6.497 874 HD23 LEU 45 2HD2 LEU 45 7.437 -0.472 5.952 875 H LYS 46 H LYS 46 8.444 1.314 9.045 876 HA LYS 46 HA LYS 46 7.026 0.724 11.512 877 HB2 LYS 46 2HB LYS 46 8.973 1.988 12.180 878 HB3 LYS 46 1HB LYS 46 8.706 3.179 10.916 879 HG2 LYS 46 2HG LYS 46 6.662 3.920 12.001 880 HG3 LYS 46 1HG LYS 46 6.839 2.676 13.229 881 HD2 LYS 46 2HD LYS 46 8.740 3.645 14.071 882 HD3 LYS 46 1HD LYS 46 8.854 4.848 12.747 883 HE2 LYS 46 2HE LYS 46 6.662 5.740 13.546 884 HE3 LYS 46 1HE LYS 46 6.728 4.598 14.882 885 HZ1 LYS 46 3HZ LYS 46 8.684 6.771 14.378 886 HZ2 LYS 46 1HZ LYS 46 8.735 5.700 15.676 887 HZ3 LYS 46 2HZ LYS 46 7.472 6.800 15.526 888 H VAL 47 H VAL 47 5.144 1.797 11.811 889 HA VAL 47 HA VAL 47 4.099 3.196 9.449 890 HB VAL 47 HB VAL 47 3.391 0.794 9.437 891 HG11 VAL 47 1HG1 VAL 47 1.927 1.553 11.950 892 HG12 VAL 47 2HG1 VAL 47 3.210 0.358 11.789 893 HG13 VAL 47 3HG1 VAL 47 1.631 0.078 11.038 894 HG21 VAL 47 3HG2 VAL 47 2.069 2.472 8.273 895 HG22 VAL 47 1HG2 VAL 47 1.167 2.816 9.750 896 HG23 VAL 47 2HG2 VAL 47 1.016 1.241 8.968 897 H CYS 48 H CYS 48 2.783 4.857 9.888 898 HA CYS 48 HA CYS 48 1.883 5.165 12.659 899 HB2 CYS 48 2HB CYS 48 2.940 7.264 10.802 900 HB3 CYS 48 1HB CYS 48 1.879 7.671 12.146 901 H ALA 49 H ALA 49 -0.122 5.547 12.983 902 HA ALA 49 HA ALA 49 -1.819 5.999 10.610 903 HB1 ALA 49 1HB ALA 49 -3.578 4.811 11.752 904 HB2 ALA 49 2HB ALA 49 -2.558 4.649 13.182 905 HB3 ALA 49 3HB ALA 49 -2.113 3.821 11.693 906 H ASP 50 H ASP 50 -2.757 7.878 10.546 907 HA ASP 50 HA ASP 50 -3.645 9.155 13.041 908 HB2 ASP 50 2HB ASP 50 -1.938 10.595 12.074 909 HB3 ASP 50 1HB ASP 50 -2.695 10.497 10.492 910 HA PRO 51 HA PRO 51 -7.304 8.638 10.558 911 HB2 PRO 51 2HB PRO 51 -8.866 7.499 12.384 912 HB3 PRO 51 1HB PRO 51 -7.625 6.578 11.527 913 HG2 PRO 51 2HG PRO 51 -7.667 7.491 14.340 914 HG3 PRO 51 1HG PRO 51 -6.785 6.151 13.596 915 HD2 PRO 51 2HD PRO 51 -5.807 8.785 14.225 916 HD3 PRO 51 1HD PRO 51 -4.919 7.434 13.488 917 H GLN 52 H GLN 52 -8.540 10.273 10.254 918 HA GLN 52 HA GLN 52 -9.651 12.178 10.474 919 HB2 GLN 52 2HB GLN 52 -11.856 11.705 11.733 920 HB3 GLN 52 1HB GLN 52 -11.447 10.893 10.231 921 HG2 GLN 52 2HG GLN 52 -10.632 9.013 11.465 922 HG3 GLN 52 1HG GLN 52 -11.016 9.772 12.998 923 HE21 GLN 52 1HE2 GLN 52 -13.086 9.989 10.117 924 HE22 GLN 52 2HE2 GLN 52 -14.385 9.086 10.789 925 H ALA 53 H ALA 53 -9.244 11.243 13.848 926 HA ALA 53 HA ALA 53 -8.939 12.388 15.728 927 HB1 ALA 53 1HB ALA 53 -8.306 14.748 15.760 928 HB2 ALA 53 2HB ALA 53 -8.870 14.940 14.098 929 HB3 ALA 53 3HB ALA 53 -7.467 13.930 14.448 930 H THR 54 H THR 54 -11.347 13.490 13.603 931 HA THR 54 HA THR 54 -13.334 13.289 15.695 932 HB THR 54 HB THR 54 -13.099 15.827 14.010 933 HG1 THR 54 1HG THR 54 -12.099 15.118 16.454 934 HG21 THR 54 3HG2 THR 54 -14.942 16.661 15.418 935 HG22 THR 54 1HG2 THR 54 -15.000 15.110 16.257 936 HG23 THR 54 2HG2 THR 54 -15.419 15.203 14.548 937 H TRP 55 H TRP 55 -12.868 14.507 12.346 938 HA TRP 55 HA TRP 55 -13.762 12.298 11.035 939 HD1 TRP 55 HD TRP 55 -15.426 10.796 10.484 940 HE1 TRP 55 1HE TRP 55 -16.775 10.064 8.369 941 HE3 TRP 55 3HE TRP 55 -17.271 15.317 9.117 942 HZ2 TRP 55 2HZ TRP 55 -18.388 11.277 6.434 943 HZ3 TRP 55 3HZ TRP 55 -18.713 15.456 7.128 944 HH2 TRP 55 HH TRP 55 -19.253 13.494 5.830 945 HB2 TRP 55 2HB TRP 55 -15.997 13.243 11.995 946 HB3 TRP 55 1HB TRP 55 -15.755 14.587 10.875 947 H VAL 56 H VAL 56 -14.214 13.350 8.542 948 HA VAL 56 HA VAL 56 -12.134 15.398 8.310 949 HB VAL 56 HB VAL 56 -11.062 14.185 6.457 950 HG11 VAL 56 1HG1 VAL 56 -9.952 12.435 7.740 951 HG12 VAL 56 2HG1 VAL 56 -11.199 12.573 8.979 952 HG13 VAL 56 3HG1 VAL 56 -10.115 13.930 8.662 953 HG21 VAL 56 3HG2 VAL 56 -13.011 12.900 5.737 954 HG22 VAL 56 1HG2 VAL 56 -12.899 11.901 7.179 955 HG23 VAL 56 2HG2 VAL 56 -11.609 11.870 5.962 956 H ARG 57 H ARG 57 -11.863 15.950 5.942 957 HA ARG 57 HA ARG 57 -14.322 15.784 4.397 958 HE ARG 57 HE ARG 57 -12.270 20.128 3.853 959 HB2 ARG 57 2HB ARG 57 -14.073 18.109 5.326 960 HB3 ARG 57 1HB ARG 57 -12.481 18.207 4.581 961 HG2 ARG 57 2HG ARG 57 -13.481 17.987 2.374 962 HG3 ARG 57 1HG ARG 57 -15.080 17.862 3.095 963 HD2 ARG 57 2HD ARG 57 -14.706 20.089 2.234 964 HD3 ARG 57 1HD ARG 57 -14.829 20.149 3.986 965 HH11 ARG 57 1HH1 ARG 57 -14.377 21.706 1.459 966 HH12 ARG 57 2HH1 ARG 57 -13.240 22.910 1.074 967 HH21 ARG 57 1HH2 ARG 57 -10.735 21.836 3.315 968 HH22 ARG 57 2HH2 ARG 57 -11.172 22.991 2.138 969 H ASP 58 H ASP 58 -13.817 15.690 2.085 970 HA ASP 58 HA ASP 58 -11.471 14.200 1.554 971 HB2 ASP 58 2HB ASP 58 -13.434 15.405 -0.408 972 HB3 ASP 58 1HB ASP 58 -12.123 14.323 -0.853 973 H VAL 59 H VAL 59 -9.768 15.359 2.127 974 HA VAL 59 HA VAL 59 -8.835 17.307 0.173 975 HB VAL 59 HB VAL 59 -8.503 17.605 3.188 976 HG11 VAL 59 1HG1 VAL 59 -7.520 19.351 0.939 977 HG12 VAL 59 2HG1 VAL 59 -6.528 18.331 1.979 978 HG13 VAL 59 3HG1 VAL 59 -7.378 19.720 2.657 979 HG21 VAL 59 3HG2 VAL 59 -10.742 18.278 2.496 980 HG22 VAL 59 1HG2 VAL 59 -10.058 19.317 1.246 981 HG23 VAL 59 2HG2 VAL 59 -9.788 19.692 2.950 982 H VAL 60 H VAL 60 -7.223 16.209 -0.728 983 HA VAL 60 HA VAL 60 -5.706 14.425 0.922 984 HB VAL 60 HB VAL 60 -4.676 13.612 -1.200 985 HG11 VAL 60 1HG1 VAL 60 -6.689 12.465 -2.047 986 HG12 VAL 60 2HG1 VAL 60 -7.692 13.602 -1.145 987 HG13 VAL 60 3HG1 VAL 60 -6.633 12.488 -0.282 988 HG21 VAL 60 3HG2 VAL 60 -6.652 15.478 -2.524 989 HG22 VAL 60 1HG2 VAL 60 -5.710 14.242 -3.352 990 HG23 VAL 60 2HG2 VAL 60 -4.892 15.602 -2.581 Start of MODEL 17 1 HA VAL 1 HA VAL 1 7.786 -7.203 24.575 2 HB VAL 1 HB VAL 1 5.569 -8.152 24.728 3 H1 VAL 1 1HT VAL 1 6.190 -6.467 22.986 4 H2 VAL 1 2HT VAL 1 6.827 -7.525 21.826 5 H3 VAL 1 3HT VAL 1 7.788 -6.307 22.471 6 HG11 VAL 1 2HG1 VAL 1 6.455 -10.219 22.746 7 HG12 VAL 1 3HG1 VAL 1 5.234 -8.965 22.499 8 HG13 VAL 1 1HG1 VAL 1 4.940 -10.273 23.645 9 HG21 VAL 1 1HG2 VAL 1 7.182 -9.094 26.268 10 HG22 VAL 1 2HG2 VAL 1 7.629 -10.322 25.083 11 HG23 VAL 1 3HG2 VAL 1 6.016 -10.325 25.791 12 H GLY 2 H GLY 2 7.967 -9.494 21.738 13 HA2 GLY 2 2HA GLY 2 10.765 -9.574 21.914 14 HA3 GLY 2 1HA GLY 2 10.092 -10.955 22.770 15 H SER 3 H SER 3 10.817 -12.494 21.383 16 HA SER 3 HA SER 3 10.815 -13.907 19.701 17 HG SER 3 HG SER 3 8.322 -13.603 20.875 18 HB2 SER 3 2HB SER 3 8.285 -12.491 18.843 19 HB3 SER 3 1HB SER 3 8.871 -13.996 18.132 20 H GLU 4 H GLU 4 12.609 -13.552 18.687 21 HA GLU 4 HA GLU 4 12.978 -11.503 16.700 22 HB2 GLU 4 2HB GLU 4 14.834 -12.504 18.062 23 HB3 GLU 4 1HB GLU 4 14.559 -14.030 17.239 24 HG2 GLU 4 2HG GLU 4 15.071 -12.869 15.094 25 HG3 GLU 4 1HG GLU 4 15.544 -11.459 16.045 26 H VAL 5 H VAL 5 11.922 -11.723 14.803 27 HA VAL 5 HA VAL 5 10.802 -14.287 14.167 28 HB VAL 5 HB VAL 5 10.452 -11.654 12.718 29 HG11 VAL 5 1HG1 VAL 5 9.967 -13.577 11.321 30 HG12 VAL 5 2HG1 VAL 5 8.496 -12.697 11.728 31 HG13 VAL 5 3HG1 VAL 5 8.873 -14.212 12.553 32 HG21 VAL 5 3HG2 VAL 5 8.304 -11.526 13.883 33 HG22 VAL 5 1HG2 VAL 5 9.643 -11.551 15.026 34 HG23 VAL 5 2HG2 VAL 5 8.689 -13.007 14.761 35 H SER 6 H SER 6 12.290 -11.944 11.934 36 HA SER 6 HA SER 6 13.620 -12.111 10.173 37 HG SER 6 HG SER 6 15.356 -13.582 12.686 38 HB2 SER 6 2HB SER 6 14.494 -14.788 11.293 39 HB3 SER 6 1HB SER 6 15.305 -13.897 10.008 40 H ASP 7 H ASP 7 13.293 -12.555 8.081 41 HA ASP 7 HA ASP 7 12.527 -13.436 6.159 42 HB2 ASP 7 2HB ASP 7 13.505 -15.589 6.819 43 HB3 ASP 7 1HB ASP 7 12.064 -15.975 7.744 44 H LYS 8 H LYS 8 10.460 -14.543 8.767 45 HA LYS 8 HA LYS 8 7.979 -14.206 7.286 46 HB2 LYS 8 2HB LYS 8 8.215 -15.851 9.142 47 HB3 LYS 8 1HB LYS 8 8.478 -14.523 10.251 48 HG2 LYS 8 2HG LYS 8 6.225 -13.658 9.699 49 HG3 LYS 8 1HG LYS 8 5.970 -15.076 8.682 50 HD2 LYS 8 2HD LYS 8 6.263 -16.536 10.604 51 HD3 LYS 8 1HD LYS 8 6.590 -15.144 11.636 52 HE2 LYS 8 2HE LYS 8 4.320 -14.297 11.145 53 HE3 LYS 8 1HE LYS 8 4.016 -15.748 10.188 54 HZ1 LYS 8 3HZ LYS 8 4.311 -17.085 12.189 55 HZ2 LYS 8 1HZ LYS 8 3.136 -15.912 12.449 56 HZ3 LYS 8 2HZ LYS 8 4.665 -15.705 13.079 57 H ARG 9 H ARG 9 7.527 -12.542 6.579 58 HA ARG 9 HA ARG 9 7.759 -9.968 7.144 59 HE ARG 9 HE ARG 9 6.237 -12.181 3.984 60 HB2 ARG 9 2HB ARG 9 5.454 -9.674 6.204 61 HB3 ARG 9 1HB ARG 9 6.547 -10.658 5.245 62 HG2 ARG 9 2HG ARG 9 4.606 -11.914 7.126 63 HG3 ARG 9 1HG ARG 9 4.073 -11.493 5.463 64 HD2 ARG 9 2HD ARG 9 6.062 -13.510 6.519 65 HD3 ARG 9 1HD ARG 9 4.653 -13.787 5.510 66 HH11 ARG 9 1HH1 ARG 9 6.787 -15.375 5.509 67 HH12 ARG 9 2HH1 ARG 9 7.917 -15.823 4.332 68 HH21 ARG 9 1HH2 ARG 9 7.733 -12.811 2.509 69 HH22 ARG 9 2HH2 ARG 9 8.480 -14.365 2.552 70 H THR 10 H THR 10 7.157 -8.514 8.679 71 HA THR 10 HA THR 10 5.509 -9.510 10.813 72 HB THR 10 HB THR 10 6.526 -7.285 11.839 73 HG1 THR 10 1HG THR 10 8.833 -8.090 10.738 74 HG21 THR 10 3HG2 THR 10 8.273 -8.696 12.887 75 HG22 THR 10 1HG2 THR 10 7.977 -9.939 11.671 76 HG23 THR 10 2HG2 THR 10 6.714 -9.515 12.826 77 H CYS 11 H CYS 11 3.625 -8.650 11.258 78 HA CYS 11 HA CYS 11 2.802 -6.189 9.903 79 HB2 CYS 11 2HB CYS 11 1.189 -8.780 9.833 80 HB3 CYS 11 1HB CYS 11 0.883 -7.313 8.937 81 H VAL 12 H VAL 12 0.991 -5.177 11.113 82 HA VAL 12 HA VAL 12 0.187 -6.446 13.647 83 HB VAL 12 HB VAL 12 1.466 -3.674 13.573 84 HG11 VAL 12 1HG1 VAL 12 0.419 -5.235 15.921 85 HG12 VAL 12 2HG1 VAL 12 -0.292 -3.777 15.230 86 HG13 VAL 12 3HG1 VAL 12 1.284 -3.700 16.020 87 HG21 VAL 12 3HG2 VAL 12 2.530 -6.210 14.822 88 HG22 VAL 12 1HG2 VAL 12 3.258 -4.609 14.971 89 HG23 VAL 12 2HG2 VAL 12 3.180 -5.408 13.395 90 H SER 13 H SER 13 -1.828 -5.722 14.426 91 HA SER 13 HA SER 13 -3.201 -3.736 12.783 92 HG SER 13 HG SER 13 -5.045 -5.996 15.330 93 HB2 SER 13 2HB SER 13 -5.309 -4.753 13.728 94 HB3 SER 13 1HB SER 13 -4.386 -5.848 12.714 95 H LEU 14 H LEU 14 -3.707 -1.882 13.629 96 HA LEU 14 HA LEU 14 -3.364 -1.493 16.514 97 HG LEU 14 HG LEU 14 -0.911 0.996 15.245 98 HB2 LEU 14 2HB LEU 14 -3.102 0.451 14.233 99 HB3 LEU 14 1HB LEU 14 -3.156 0.938 15.908 100 HD11 LEU 14 1HD1 LEU 14 0.136 -0.544 16.780 101 HD12 LEU 14 2HD1 LEU 14 -1.347 -1.510 16.809 102 HD13 LEU 14 3HD1 LEU 14 -1.369 0.129 17.424 103 HD21 LEU 14 3HD2 LEU 14 -1.028 -0.396 13.250 104 HD22 LEU 14 1HD2 LEU 14 -1.218 -1.833 14.253 105 HD23 LEU 14 2HD2 LEU 14 0.299 -0.928 14.290 106 H THR 15 H THR 15 -4.913 -0.669 17.709 107 HA THR 15 HA THR 15 -7.440 -0.151 16.396 108 HB THR 15 HB THR 15 -8.316 -0.223 18.781 109 HG1 THR 15 1HG THR 15 -6.031 0.102 19.556 110 HG21 THR 15 3HG2 THR 15 -6.886 -2.683 17.749 111 HG22 THR 15 1HG2 THR 15 -8.500 -2.157 17.273 112 HG23 THR 15 2HG2 THR 15 -8.196 -2.678 18.931 113 H THR 16 H THR 16 -7.723 1.821 15.880 114 HA THR 16 HA THR 16 -7.228 3.993 17.755 115 HB THR 16 HB THR 16 -5.268 3.943 16.228 116 HG1 THR 16 1HG THR 16 -5.408 5.997 16.398 117 HG21 THR 16 3HG2 THR 16 -6.304 2.810 14.305 118 HG22 THR 16 1HG2 THR 16 -5.543 4.322 13.806 119 HG23 THR 16 2HG2 THR 16 -7.293 4.236 13.996 120 H GLN 17 H GLN 17 -8.270 6.061 16.401 121 HA GLN 17 HA GLN 17 -11.000 5.248 16.030 122 HB2 GLN 17 2HB GLN 17 -10.551 7.333 17.237 123 HB3 GLN 17 1HB GLN 17 -9.774 8.006 15.814 124 HG2 GLN 17 2HG GLN 17 -12.014 8.906 16.045 125 HG3 GLN 17 1HG GLN 17 -11.897 7.913 14.600 126 HE21 GLN 17 1HE2 GLN 17 -14.219 8.705 16.134 127 HE22 GLN 17 2HE2 GLN 17 -15.026 7.235 16.604 128 H ARG 18 H ARG 18 -11.510 4.345 14.264 129 HA ARG 18 HA ARG 18 -10.672 5.550 11.729 130 HE ARG 18 HE ARG 18 -12.058 0.105 13.530 131 HB2 ARG 18 2HB ARG 18 -10.442 3.384 10.655 132 HB3 ARG 18 1HB ARG 18 -9.407 3.423 12.063 133 HG2 ARG 18 2HG ARG 18 -12.079 1.983 11.876 134 HG3 ARG 18 1HG ARG 18 -10.479 1.250 11.769 135 HD2 ARG 18 2HD ARG 18 -9.997 1.947 14.060 136 HD3 ARG 18 1HD ARG 18 -11.560 2.733 14.153 137 HH11 ARG 18 1HH1 ARG 18 -10.555 1.929 16.188 138 HH12 ARG 18 2HH1 ARG 18 -10.983 0.800 17.384 139 HH21 ARG 18 1HH2 ARG 18 -12.620 -1.450 15.191 140 HH22 ARG 18 2HH2 ARG 18 -12.168 -1.163 16.801 141 H LEU 19 H LEU 19 -12.173 5.572 10.138 142 HA LEU 19 HA LEU 19 -14.886 5.377 10.934 143 HG LEU 19 HG LEU 19 -13.804 4.822 7.261 144 HB2 LEU 19 2HB LEU 19 -15.415 6.052 8.658 145 HB3 LEU 19 1HB LEU 19 -14.138 7.061 9.283 146 HD11 LEU 19 1HD1 LEU 19 -13.357 6.619 5.674 147 HD12 LEU 19 2HD1 LEU 19 -13.725 7.805 6.930 148 HD13 LEU 19 3HD1 LEU 19 -14.982 6.710 6.358 149 HD21 LEU 19 3HD2 LEU 19 -11.746 6.808 8.301 150 HD22 LEU 19 1HD2 LEU 19 -11.525 5.746 6.919 151 HD23 LEU 19 2HD2 LEU 19 -11.730 5.055 8.521 152 HA PRO 20 HA PRO 20 -15.189 1.068 10.023 153 HB2 PRO 20 2HB PRO 20 -17.902 0.844 9.778 154 HB3 PRO 20 1HB PRO 20 -17.085 0.978 11.340 155 HG2 PRO 20 2HG PRO 20 -18.482 3.082 9.748 156 HG3 PRO 20 1HG PRO 20 -18.494 2.809 11.501 157 HD2 PRO 20 2HD PRO 20 -16.976 4.716 10.296 158 HD3 PRO 20 1HD PRO 20 -16.493 3.899 11.802 159 H VAL 21 H VAL 21 -14.996 0.031 8.202 160 HA VAL 21 HA VAL 21 -16.423 0.962 5.865 161 HB VAL 21 HB VAL 21 -14.120 1.893 5.830 162 HG11 VAL 21 1HG1 VAL 21 -12.892 0.224 7.010 163 HG12 VAL 21 2HG1 VAL 21 -12.184 0.462 5.411 164 HG13 VAL 21 3HG1 VAL 21 -13.188 -0.951 5.729 165 HG21 VAL 21 3HG2 VAL 21 -13.536 1.220 3.537 166 HG22 VAL 21 1HG2 VAL 21 -15.263 1.528 3.725 167 HG23 VAL 21 2HG2 VAL 21 -14.663 -0.128 3.664 168 H SER 22 H SER 22 -17.188 -0.646 4.564 169 HA SER 22 HA SER 22 -17.057 -3.324 5.646 170 HG SER 22 HG SER 22 -19.428 -2.715 5.981 171 HB2 SER 22 2HB SER 22 -18.605 -2.191 3.312 172 HB3 SER 22 1HB SER 22 -18.855 -3.771 4.044 173 H ARG 23 H ARG 23 -15.640 -1.455 3.191 174 HA ARG 23 HA ARG 23 -14.703 -3.815 1.709 175 HE ARG 23 HE ARG 23 -18.247 -2.525 -1.012 176 HB2 ARG 23 2HB ARG 23 -14.483 -0.877 1.018 177 HB3 ARG 23 1HB ARG 23 -13.993 -2.219 -0.002 178 HG2 ARG 23 2HG ARG 23 -16.814 -1.603 0.862 179 HG3 ARG 23 1HG ARG 23 -16.123 -1.272 -0.728 180 HD2 ARG 23 2HD ARG 23 -15.770 -3.643 -1.068 181 HD3 ARG 23 1HD ARG 23 -16.399 -3.985 0.543 182 HH11 ARG 23 1HH1 ARG 23 -16.902 -5.782 -0.652 183 HH12 ARG 23 2HH1 ARG 23 -18.329 -6.571 -1.154 184 HH21 ARG 23 1HH2 ARG 23 -20.211 -3.636 -1.689 185 HH22 ARG 23 2HH2 ARG 23 -20.212 -5.352 -1.741 186 H ILE 24 H ILE 24 -12.618 -4.393 1.826 187 HA ILE 24 HA ILE 24 -10.946 -2.913 3.703 188 HB ILE 24 HB ILE 24 -10.452 -5.601 2.384 189 HG12 ILE 24 2HG1 ILE 24 -12.429 -5.752 3.793 190 HG13 ILE 24 1HG1 ILE 24 -11.092 -6.594 4.562 191 HG21 ILE 24 1HG2 ILE 24 -8.764 -5.928 4.135 192 HG22 ILE 24 2HG2 ILE 24 -9.065 -4.294 4.725 193 HG23 ILE 24 3HG2 ILE 24 -8.392 -4.539 3.114 194 HD11 ILE 24 3HD1 ILE 24 -12.120 -3.853 5.278 195 HD12 ILE 24 1HD1 ILE 24 -10.762 -4.676 6.048 196 HD13 ILE 24 2HD1 ILE 24 -12.389 -5.341 6.180 197 H LYS 25 H LYS 25 -9.648 -1.438 2.866 198 HA LYS 25 HA LYS 25 -8.863 -1.708 0.083 199 HB2 LYS 25 2HB LYS 25 -8.511 0.635 1.956 200 HB3 LYS 25 1HB LYS 25 -7.743 0.557 0.384 201 HG2 LYS 25 2HG LYS 25 -9.695 1.872 0.190 202 HG3 LYS 25 1HG LYS 25 -9.992 0.346 -0.636 203 HD2 LYS 25 2HD LYS 25 -11.174 -0.424 1.421 204 HD3 LYS 25 1HD LYS 25 -10.991 1.209 2.066 205 HE2 LYS 25 2HE LYS 25 -12.350 0.407 -0.452 206 HE3 LYS 25 1HE LYS 25 -13.177 0.917 1.029 207 HZ1 LYS 25 3HZ LYS 25 -11.519 2.573 -0.818 208 HZ2 LYS 25 1HZ LYS 25 -11.973 3.131 0.714 209 HZ3 LYS 25 2HZ LYS 25 -13.140 2.773 -0.417 210 H THR 26 H THR 26 -7.001 -2.054 -0.644 211 HA THR 26 HA THR 26 -4.810 -2.629 1.270 212 HB THR 26 HB THR 26 -3.980 -4.233 -0.441 213 HG1 THR 26 1HG THR 26 -5.716 -3.041 -1.997 214 HG21 THR 26 3HG2 THR 26 -5.351 -5.052 1.418 215 HG22 THR 26 1HG2 THR 26 -5.660 -5.984 -0.045 216 HG23 THR 26 2HG2 THR 26 -6.812 -4.756 0.479 217 H TYR 27 H TYR 27 -3.076 -1.462 1.099 218 HA TYR 27 HA TYR 27 -2.510 -0.138 -1.447 219 HD1 TYR 27 2HD TYR 27 -2.478 2.756 -1.827 220 HD2 TYR 27 1HD TYR 27 -4.778 1.250 1.394 221 HE1 TYR 27 2HE TYR 27 -4.335 4.039 -2.612 222 HE2 TYR 27 1HE TYR 27 -6.707 2.559 0.651 223 HH TYR 27 HH TYR 27 -7.266 4.412 -0.713 224 HB2 TYR 27 2HB TYR 27 -2.361 1.025 1.316 225 HB3 TYR 27 1HB TYR 27 -1.435 1.672 -0.040 226 H THR 28 H THR 28 -0.642 -0.486 -2.180 227 HA THR 28 HA THR 28 1.174 -1.859 -0.356 228 HB THR 28 HB THR 28 1.988 -3.273 -2.217 229 HG1 THR 28 1HG THR 28 0.635 -1.440 -3.676 230 HG21 THR 28 3HG2 THR 28 0.005 -4.641 -2.511 231 HG22 THR 28 1HG2 THR 28 -1.018 -3.286 -2.033 232 HG23 THR 28 2HG2 THR 28 0.051 -4.036 -0.857 233 H ILE 29 H ILE 29 3.171 -1.135 -0.173 234 HA ILE 29 HA ILE 29 4.220 0.585 -2.300 235 HB ILE 29 HB ILE 29 4.461 1.036 0.684 236 HG12 ILE 29 2HG1 ILE 29 3.289 2.703 -1.552 237 HG13 ILE 29 1HG1 ILE 29 2.397 1.849 -0.304 238 HG21 ILE 29 1HG2 ILE 29 5.930 2.523 -1.509 239 HG22 ILE 29 2HG2 ILE 29 6.650 1.442 -0.316 240 HG23 ILE 29 3HG2 ILE 29 5.908 2.952 0.201 241 HD11 ILE 29 3HD1 ILE 29 2.451 4.180 0.212 242 HD12 ILE 29 1HD1 ILE 29 4.213 4.208 0.048 243 HD13 ILE 29 2HD1 ILE 29 3.487 3.306 1.358 244 H THR 30 H THR 30 5.946 -0.210 -3.172 245 HA THR 30 HA THR 30 7.563 -2.087 -1.633 246 HB THR 30 HB THR 30 6.683 -2.983 -3.771 247 HG1 THR 30 1HG THR 30 9.508 -2.569 -4.008 248 HG21 THR 30 3HG2 THR 30 8.256 -0.769 -5.067 249 HG22 THR 30 1HG2 THR 30 6.500 -0.922 -5.067 250 HG23 THR 30 2HG2 THR 30 7.490 -2.098 -5.948 251 H GLU 31 H GLU 31 9.456 -1.406 -0.933 252 HA GLU 31 HA GLU 31 10.752 0.808 -2.310 253 HB2 GLU 31 2HB GLU 31 9.365 1.883 -0.630 254 HB3 GLU 31 1HB GLU 31 10.025 0.845 0.621 255 HG2 GLU 31 2HG GLU 31 10.963 3.091 0.713 256 HG3 GLU 31 1HG GLU 31 12.206 1.892 0.359 257 H GLY 32 H GLY 32 12.395 -0.531 -2.934 258 HA2 GLY 32 2HA GLY 32 14.592 -1.120 -2.772 259 HA3 GLY 32 1HA GLY 32 14.580 -0.532 -1.130 260 H SER 33 H SER 33 13.484 -2.014 0.414 261 HA SER 33 HA SER 33 14.317 -4.782 -0.156 262 HG SER 33 HG SER 33 16.476 -4.260 0.286 263 HB2 SER 33 2HB SER 33 14.866 -3.154 2.310 264 HB3 SER 33 1HB SER 33 15.254 -4.865 2.111 265 H LEU 34 H LEU 34 11.706 -2.911 0.684 266 HA LEU 34 HA LEU 34 10.478 -5.220 1.876 267 HG LEU 34 HG LEU 34 9.515 -1.755 3.006 268 HB2 LEU 34 2HB LEU 34 9.542 -4.080 3.788 269 HB3 LEU 34 1HB LEU 34 11.290 -4.026 3.846 270 HD11 LEU 34 1HD1 LEU 34 10.057 -0.825 5.243 271 HD12 LEU 34 2HD1 LEU 34 10.905 -2.320 5.632 272 HD13 LEU 34 3HD1 LEU 34 9.169 -2.354 5.340 273 HD21 LEU 34 3HD2 LEU 34 11.823 -1.657 2.123 274 HD22 LEU 34 1HD2 LEU 34 12.437 -1.768 3.772 275 HD23 LEU 34 2HD2 LEU 34 11.494 -0.367 3.272 276 H ARG 35 H ARG 35 8.554 -5.426 1.528 277 HA ARG 35 HA ARG 35 7.043 -3.327 0.068 278 HE ARG 35 HE ARG 35 8.286 -7.347 -0.112 279 HB2 ARG 35 2HB ARG 35 6.563 -6.323 0.096 280 HB3 ARG 35 1HB ARG 35 5.436 -5.179 -0.595 281 HG2 ARG 35 2HG ARG 35 6.704 -6.197 -2.355 282 HG3 ARG 35 1HG ARG 35 7.186 -4.511 -2.222 283 HD2 ARG 35 2HD ARG 35 9.111 -5.956 -2.581 284 HD3 ARG 35 1HD ARG 35 9.188 -5.179 -1.003 285 HH11 ARG 35 1HH1 ARG 35 10.152 -7.280 -3.131 286 HH12 ARG 35 2HH1 ARG 35 10.714 -8.878 -2.904 287 HH21 ARG 35 1HH2 ARG 35 9.113 -9.501 0.143 288 HH22 ARG 35 2HH2 ARG 35 10.154 -10.149 -1.035 289 H ALA 36 H ALA 36 5.533 -2.308 1.150 290 HA ALA 36 HA ALA 36 4.470 -3.589 3.574 291 HB1 ALA 36 1HB ALA 36 4.083 -1.339 4.442 292 HB2 ALA 36 2HB ALA 36 4.721 -0.647 2.947 293 HB3 ALA 36 3HB ALA 36 5.778 -1.568 4.018 294 H VAL 37 H VAL 37 2.331 -3.782 3.830 295 HA VAL 37 HA VAL 37 0.576 -2.645 1.765 296 HB VAL 37 HB VAL 37 0.145 -5.302 3.150 297 HG11 VAL 37 1HG1 VAL 37 -1.612 -5.634 1.461 298 HG12 VAL 37 2HG1 VAL 37 -1.305 -4.014 0.841 299 HG13 VAL 37 3HG1 VAL 37 -1.915 -4.227 2.480 300 HG21 VAL 37 3HG2 VAL 37 0.607 -6.316 0.935 301 HG22 VAL 37 1HG2 VAL 37 2.019 -5.569 1.703 302 HG23 VAL 37 2HG2 VAL 37 1.173 -4.728 0.399 303 H ILE 38 H ILE 38 -0.945 -1.394 2.573 304 HA ILE 38 HA ILE 38 -1.508 -1.456 5.412 305 HB ILE 38 HB ILE 38 -1.849 0.564 3.214 306 HG12 ILE 38 2HG1 ILE 38 -0.232 0.641 5.739 307 HG13 ILE 38 1HG1 ILE 38 0.390 0.282 4.129 308 HG21 ILE 38 1HG2 ILE 38 -3.791 0.724 4.670 309 HG22 ILE 38 2HG2 ILE 38 -2.708 2.106 4.779 310 HG23 ILE 38 3HG2 ILE 38 -2.716 0.898 6.079 311 HD11 ILE 38 3HD1 ILE 38 -0.941 2.850 4.939 312 HD12 ILE 38 1HD1 ILE 38 -0.287 2.375 3.370 313 HD13 ILE 38 2HD1 ILE 38 0.810 2.575 4.754 314 H PHE 39 H PHE 39 -3.338 -2.362 5.985 315 HA PHE 39 HA PHE 39 -5.456 -2.712 3.997 316 HD1 PHE 39 2HD PHE 39 -2.758 -4.917 6.127 317 HD2 PHE 39 1HD PHE 39 -6.006 -5.670 3.496 318 HE1 PHE 39 2HE PHE 39 -1.430 -6.638 4.983 319 HE2 PHE 39 1HE PHE 39 -4.685 -7.388 2.346 320 HZ PHE 39 HZ PHE 39 -2.395 -7.872 3.089 321 HB2 PHE 39 2HB PHE 39 -4.960 -4.135 6.616 322 HB3 PHE 39 1HB PHE 39 -6.325 -4.439 5.551 323 H ILE 40 H ILE 40 -6.899 -1.248 4.152 324 HA ILE 40 HA ILE 40 -7.372 0.130 6.668 325 HB ILE 40 HB ILE 40 -8.681 0.522 3.968 326 HG12 ILE 40 2HG1 ILE 40 -6.293 1.037 3.810 327 HG13 ILE 40 1HG1 ILE 40 -7.226 2.519 3.751 328 HG21 ILE 40 1HG2 ILE 40 -10.096 1.320 5.745 329 HG22 ILE 40 2HG2 ILE 40 -9.411 2.704 4.887 330 HG23 ILE 40 3HG2 ILE 40 -8.758 2.218 6.454 331 HD11 ILE 40 3HD1 ILE 40 -6.614 3.012 6.069 332 HD12 ILE 40 1HD1 ILE 40 -5.199 2.729 5.033 333 HD13 ILE 40 2HD1 ILE 40 -5.720 1.478 6.132 334 H THR 41 H THR 41 -8.747 -0.732 8.029 335 HA THR 41 HA THR 41 -11.024 -2.190 6.984 336 HB THR 41 HB THR 41 -9.412 -3.916 7.411 337 HG1 THR 41 1HG THR 41 -10.443 -5.067 9.109 338 HG21 THR 41 3HG2 THR 41 -7.861 -2.713 8.860 339 HG22 THR 41 1HG2 THR 41 -8.330 -4.244 9.603 340 HG23 THR 41 2HG2 THR 41 -9.045 -2.733 10.168 341 H LYS 42 H LYS 42 -12.711 -2.399 8.474 342 HA LYS 42 HA LYS 42 -13.322 -0.181 10.099 343 HB2 LYS 42 2HB LYS 42 -15.307 -1.362 10.776 344 HB3 LYS 42 1HB LYS 42 -15.021 -1.718 9.083 345 HG2 LYS 42 2HG LYS 42 -14.257 -3.568 11.344 346 HG3 LYS 42 1HG LYS 42 -15.770 -3.668 10.453 347 HD2 LYS 42 2HD LYS 42 -14.611 -4.254 8.434 348 HD3 LYS 42 1HD LYS 42 -13.049 -3.865 9.164 349 HE2 LYS 42 2HE LYS 42 -13.201 -5.594 10.659 350 HE3 LYS 42 1HE LYS 42 -14.862 -6.026 10.207 351 HZ1 LYS 42 3HZ LYS 42 -12.375 -6.324 8.573 352 HZ2 LYS 42 1HZ LYS 42 -13.926 -6.562 7.951 353 HZ3 LYS 42 2HZ LYS 42 -13.331 -7.560 9.167 354 H ARG 43 H ARG 43 -11.401 -2.863 10.712 355 HA ARG 43 HA ARG 43 -11.801 -3.068 13.584 356 HE ARG 43 HE ARG 43 -8.032 -6.321 15.000 357 HB2 ARG 43 2HB ARG 43 -11.326 -5.064 12.318 358 HB3 ARG 43 1HB ARG 43 -9.873 -4.349 11.645 359 HG2 ARG 43 2HG ARG 43 -8.875 -4.346 13.907 360 HG3 ARG 43 1HG ARG 43 -10.335 -5.138 14.510 361 HD2 ARG 43 2HD ARG 43 -9.962 -7.013 13.069 362 HD3 ARG 43 1HD ARG 43 -8.562 -6.232 12.334 363 HH11 ARG 43 1HH1 ARG 43 -8.823 -8.748 12.547 364 HH12 ARG 43 2HH1 ARG 43 -7.888 -9.981 13.215 365 HH21 ARG 43 1HH2 ARG 43 -6.721 -8.027 15.975 366 HH22 ARG 43 2HH2 ARG 43 -6.672 -9.560 15.236 367 H GLY 44 H GLY 44 -9.904 -1.358 11.371 368 HA2 GLY 44 2HA GLY 44 -8.896 0.633 12.745 369 HA3 GLY 44 1HA GLY 44 -7.951 -0.665 13.443 370 H LEU 45 H LEU 45 -6.071 -0.172 12.770 371 HA LEU 45 HA LEU 45 -5.665 0.012 9.871 372 HG LEU 45 HG LEU 45 -2.886 2.608 10.383 373 HB2 LEU 45 2HB LEU 45 -5.057 2.088 11.015 374 HB3 LEU 45 1HB LEU 45 -4.074 1.216 12.155 375 HD11 LEU 45 1HD1 LEU 45 -2.106 -0.297 10.651 376 HD12 LEU 45 2HD1 LEU 45 -1.571 1.067 11.663 377 HD13 LEU 45 3HD1 LEU 45 -1.080 0.973 9.991 378 HD21 LEU 45 3HD2 LEU 45 -4.226 1.997 8.459 379 HD22 LEU 45 1HD2 LEU 45 -3.705 0.316 8.608 380 HD23 LEU 45 2HD2 LEU 45 -2.537 1.570 8.192 381 H LYS 46 H LYS 46 -4.779 -1.692 9.015 382 HA LYS 46 HA LYS 46 -3.049 -3.341 10.693 383 HB2 LYS 46 2HB LYS 46 -5.059 -4.567 10.217 384 HB3 LYS 46 1HB LYS 46 -5.004 -4.152 8.522 385 HG2 LYS 46 2HG LYS 46 -4.361 -6.494 8.885 386 HG3 LYS 46 1HG LYS 46 -2.986 -5.585 8.262 387 HD2 LYS 46 2HD LYS 46 -2.065 -5.440 10.510 388 HD3 LYS 46 1HD LYS 46 -3.477 -6.284 11.143 389 HE2 LYS 46 2HE LYS 46 -1.546 -7.423 9.130 390 HE3 LYS 46 1HE LYS 46 -1.517 -7.757 10.861 391 HZ1 LYS 46 3HZ LYS 46 -3.773 -8.439 9.017 392 HZ2 LYS 46 1HZ LYS 46 -3.707 -8.754 10.671 393 HZ3 LYS 46 2HZ LYS 46 -2.624 -9.499 9.640 394 H VAL 47 H VAL 47 -1.090 -3.320 10.066 395 HA VAL 47 HA VAL 47 -0.520 -2.667 7.274 396 HB VAL 47 HB VAL 47 0.236 -0.919 8.879 397 HG11 VAL 47 1HG1 VAL 47 2.204 -1.434 10.317 398 HG12 VAL 47 2HG1 VAL 47 1.929 -3.133 9.986 399 HG13 VAL 47 3HG1 VAL 47 0.691 -2.212 10.842 400 HG21 VAL 47 3HG2 VAL 47 1.426 -1.186 6.772 401 HG22 VAL 47 1HG2 VAL 47 2.470 -2.411 7.489 402 HG23 VAL 47 2HG2 VAL 47 2.554 -0.741 8.050 403 H CYS 48 H CYS 48 0.856 -3.998 6.252 404 HA CYS 48 HA CYS 48 2.043 -6.125 7.867 405 HB2 CYS 48 2HB CYS 48 -0.120 -6.786 6.671 406 HB3 CYS 48 1HB CYS 48 0.751 -6.521 5.167 407 H ALA 49 H ALA 49 4.177 -6.513 7.254 408 HA ALA 49 HA ALA 49 4.996 -5.177 4.802 409 HB1 ALA 49 1HB ALA 49 6.339 -4.877 7.459 410 HB2 ALA 49 2HB ALA 49 5.381 -3.647 6.645 411 HB3 ALA 49 3HB ALA 49 6.900 -4.191 5.925 412 H ASP 50 H ASP 50 6.143 -6.352 3.607 413 HA ASP 50 HA ASP 50 7.277 -8.838 4.671 414 HB2 ASP 50 2HB ASP 50 5.531 -9.070 2.935 415 HB3 ASP 50 1HB ASP 50 6.507 -8.104 1.842 416 HA PRO 51 HA PRO 51 11.090 -6.759 3.475 417 HB2 PRO 51 2HB PRO 51 12.660 -7.897 5.289 418 HB3 PRO 51 1HB PRO 51 11.506 -6.645 5.756 419 HG2 PRO 51 2HG PRO 51 11.359 -9.589 6.157 420 HG3 PRO 51 1HG PRO 51 10.768 -8.284 7.198 421 HD2 PRO 51 2HD PRO 51 9.232 -9.793 5.379 422 HD3 PRO 51 1HD PRO 51 8.740 -8.289 6.187 423 H GLN 52 H GLN 52 12.705 -7.466 2.206 424 HA GLN 52 HA GLN 52 12.609 -10.004 1.015 425 HB2 GLN 52 2HB GLN 52 14.883 -9.398 0.136 426 HB3 GLN 52 1HB GLN 52 13.609 -8.223 -0.187 427 HG2 GLN 52 2HG GLN 52 14.344 -6.775 1.391 428 HG3 GLN 52 1HG GLN 52 15.417 -7.919 2.184 429 HE21 GLN 52 1HE2 GLN 52 17.376 -8.471 1.123 430 HE22 GLN 52 2HE2 GLN 52 18.090 -7.459 -0.074 431 H ALA 53 H ALA 53 13.431 -11.882 1.642 432 HA ALA 53 HA ALA 53 15.156 -11.878 3.999 433 HB1 ALA 53 1HB ALA 53 13.037 -13.126 4.158 434 HB2 ALA 53 2HB ALA 53 14.438 -14.191 4.319 435 HB3 ALA 53 3HB ALA 53 13.556 -14.124 2.803 436 H THR 54 H THR 54 14.693 -13.656 0.962 437 HA THR 54 HA THR 54 17.568 -14.063 0.905 438 HB THR 54 HB THR 54 17.011 -15.866 -0.772 439 HG1 THR 54 1HG THR 54 15.025 -16.159 -1.352 440 HG21 THR 54 3HG2 THR 54 15.712 -16.124 1.946 441 HG22 THR 54 1HG2 THR 54 17.417 -16.402 1.602 442 HG23 THR 54 2HG2 THR 54 16.196 -17.462 0.908 443 H TRP 55 H TRP 55 14.964 -13.694 -1.454 444 HA TRP 55 HA TRP 55 16.744 -12.020 -3.086 445 HD1 TRP 55 HD TRP 55 13.952 -15.076 -2.278 446 HE1 TRP 55 1HE TRP 55 11.476 -15.449 -2.762 447 HE3 TRP 55 3HE TRP 55 13.491 -12.061 -6.383 448 HZ2 TRP 55 2HZ TRP 55 9.558 -14.590 -4.651 449 HZ3 TRP 55 3HZ TRP 55 11.294 -11.910 -7.475 450 HH2 TRP 55 HH TRP 55 9.371 -13.147 -6.624 451 HB2 TRP 55 2HB TRP 55 15.376 -12.674 -5.002 452 HB3 TRP 55 1HB TRP 55 15.956 -14.107 -4.167 453 H VAL 56 H VAL 56 15.551 -10.294 -4.348 454 HA VAL 56 HA VAL 56 13.088 -9.448 -3.089 455 HB VAL 56 HB VAL 56 14.818 -8.228 -1.834 456 HG11 VAL 56 1HG1 VAL 56 15.670 -7.078 -4.476 457 HG12 VAL 56 2HG1 VAL 56 16.606 -8.145 -3.423 458 HG13 VAL 56 3HG1 VAL 56 16.204 -6.513 -2.892 459 HG21 VAL 56 3HG2 VAL 56 13.234 -6.447 -3.683 460 HG22 VAL 56 1HG2 VAL 56 13.966 -5.944 -2.160 461 HG23 VAL 56 2HG2 VAL 56 12.668 -7.141 -2.164 462 H ARG 57 H ARG 57 11.658 -9.094 -4.577 463 HA ARG 57 HA ARG 57 12.473 -8.075 -7.168 464 HE ARG 57 HE ARG 57 8.905 -8.383 -10.537 465 HB2 ARG 57 2HB ARG 57 10.889 -9.996 -7.071 466 HB3 ARG 57 1HB ARG 57 9.758 -8.993 -6.180 467 HG2 ARG 57 2HG ARG 57 9.568 -7.489 -8.077 468 HG3 ARG 57 1HG ARG 57 10.721 -8.468 -8.984 469 HD2 ARG 57 2HD ARG 57 9.174 -10.379 -8.804 470 HD3 ARG 57 1HD ARG 57 8.022 -9.334 -7.970 471 HH11 ARG 57 1HH1 ARG 57 6.438 -10.255 -8.824 472 HH12 ARG 57 2HH1 ARG 57 5.278 -10.113 -10.073 473 HH21 ARG 57 1HH2 ARG 57 7.299 -8.211 -12.256 474 HH22 ARG 57 2HH2 ARG 57 5.774 -8.950 -12.020 475 H ASP 58 H ASP 58 12.665 -5.929 -7.159 476 HA ASP 58 HA ASP 58 10.514 -4.272 -6.209 477 HB2 ASP 58 2HB ASP 58 11.657 -4.402 -4.131 478 HB3 ASP 58 1HB ASP 58 13.229 -4.212 -4.902 479 H VAL 59 H VAL 59 10.444 -2.339 -7.141 480 HA VAL 59 HA VAL 59 12.401 -1.825 -9.272 481 HB VAL 59 HB VAL 59 9.513 -0.911 -9.062 482 HG11 VAL 59 1HG1 VAL 59 9.737 -0.248 -11.406 483 HG12 VAL 59 2HG1 VAL 59 11.446 -0.693 -11.361 484 HG13 VAL 59 3HG1 VAL 59 10.853 0.642 -10.371 485 HG21 VAL 59 3HG2 VAL 59 9.664 -3.316 -9.384 486 HG22 VAL 59 1HG2 VAL 59 10.734 -3.072 -10.766 487 HG23 VAL 59 2HG2 VAL 59 9.060 -2.532 -10.842 488 H VAL 60 H VAL 60 11.181 -0.654 -6.284 489 HA VAL 60 HA VAL 60 12.070 2.073 -6.907 490 HB VAL 60 HB VAL 60 10.183 1.166 -4.718 491 HG11 VAL 60 1HG1 VAL 60 11.046 3.944 -5.516 492 HG12 VAL 60 2HG1 VAL 60 11.506 3.092 -4.039 493 HG13 VAL 60 3HG1 VAL 60 9.828 3.548 -4.304 494 HG21 VAL 60 3HG2 VAL 60 8.470 2.373 -5.996 495 HG22 VAL 60 1HG2 VAL 60 9.158 1.042 -6.927 496 HG23 VAL 60 2HG2 VAL 60 9.655 2.704 -7.260 497 HA VAL 1 HA VAL 1 -2.255 -0.355 22.343 498 HB VAL 1 HB VAL 1 0.148 0.212 22.315 499 H1 VAL 1 H VAL 1 -3.019 1.903 22.920 500 HG11 VAL 1 1HG1 VAL 1 0.260 1.802 24.108 501 HG12 VAL 1 2HG1 VAL 1 1.425 0.506 24.382 502 HG13 VAL 1 3HG1 VAL 1 -0.089 0.539 25.289 503 HG21 VAL 1 3HG2 VAL 1 -0.440 -2.124 22.634 504 HG22 VAL 1 1HG2 VAL 1 -0.516 -1.888 24.379 505 HG23 VAL 1 2HG2 VAL 1 1.027 -1.741 23.536 506 H GLY 2 H GLY 2 -2.403 1.730 25.076 507 HA2 GLY 2 2HA GLY 2 -4.047 -0.250 26.454 508 HA3 GLY 2 1HA GLY 2 -2.746 0.560 27.330 509 H SER 3 H SER 3 -5.760 0.656 27.555 510 HA SER 3 HA SER 3 -7.335 2.121 28.121 511 HG SER 3 HG SER 3 -6.480 5.634 28.470 512 HB2 SER 3 2HB SER 3 -5.645 3.401 29.370 513 HB3 SER 3 1HB SER 3 -5.131 4.207 27.893 514 H GLU 4 H GLU 4 -8.995 2.990 27.020 515 HA GLU 4 HA GLU 4 -8.674 3.173 24.184 516 HB2 GLU 4 2HB GLU 4 -11.116 3.718 25.880 517 HB3 GLU 4 1HB GLU 4 -11.102 3.588 24.130 518 HG2 GLU 4 2HG GLU 4 -10.353 1.246 24.346 519 HG3 GLU 4 1HG GLU 4 -10.475 1.402 26.098 520 H VAL 5 H VAL 5 -7.516 4.886 23.627 521 HA VAL 5 HA VAL 5 -8.150 7.519 24.699 522 HB VAL 5 HB VAL 5 -6.063 6.722 22.640 523 HG11 VAL 5 1HG1 VAL 5 -5.004 8.883 23.163 524 HG12 VAL 5 2HG1 VAL 5 -6.362 9.275 24.216 525 HG13 VAL 5 3HG1 VAL 5 -6.622 9.081 22.484 526 HG21 VAL 5 3HG2 VAL 5 -5.763 7.190 25.599 527 HG22 VAL 5 1HG2 VAL 5 -4.436 6.905 24.472 528 HG23 VAL 5 2HG2 VAL 5 -5.631 5.640 24.771 529 H SER 6 H SER 6 -8.763 5.536 21.985 530 HA SER 6 HA SER 6 -9.906 5.704 20.080 531 HG SER 6 HG SER 6 -11.788 7.157 22.530 532 HB2 SER 6 2HB SER 6 -10.916 8.370 21.128 533 HB3 SER 6 1HB SER 6 -11.631 7.416 19.824 534 H ASP 7 H ASP 7 -9.107 9.132 20.600 535 HA ASP 7 HA ASP 7 -7.968 9.176 17.945 536 HB2 ASP 7 2HB ASP 7 -9.447 11.046 18.563 537 HB3 ASP 7 1HB ASP 7 -8.385 11.448 19.900 538 H LYS 8 H LYS 8 -6.290 7.915 18.304 539 HA LYS 8 HA LYS 8 -3.863 9.175 19.402 540 HB2 LYS 8 2HB LYS 8 -4.685 7.744 21.239 541 HB3 LYS 8 1HB LYS 8 -4.849 6.400 20.119 542 HG2 LYS 8 2HG LYS 8 -2.417 6.469 19.718 543 HG3 LYS 8 1HG LYS 8 -2.281 7.769 20.900 544 HD2 LYS 8 2HD LYS 8 -3.078 6.297 22.652 545 HD3 LYS 8 1HD LYS 8 -3.349 5.008 21.478 546 HE2 LYS 8 2HE LYS 8 -0.972 4.939 20.973 547 HE3 LYS 8 1HE LYS 8 -0.672 6.259 22.092 548 HZ1 LYS 8 3HZ LYS 8 -1.376 4.841 23.908 549 HZ2 LYS 8 1HZ LYS 8 -0.132 4.130 23.033 550 HZ3 LYS 8 2HZ LYS 8 -1.706 3.567 22.841 551 H ARG 9 H ARG 9 -2.434 9.080 18.153 552 HA ARG 9 HA ARG 9 -2.711 7.475 15.861 553 HE ARG 9 HE ARG 9 -2.579 11.423 15.309 554 HB2 ARG 9 2HB ARG 9 -0.413 8.629 15.267 555 HB3 ARG 9 1HB ARG 9 -1.925 9.482 15.097 556 HG2 ARG 9 2HG ARG 9 -0.315 9.673 17.554 557 HG3 ARG 9 1HG ARG 9 0.076 10.743 16.156 558 HD2 ARG 9 2HD ARG 9 -2.232 10.679 18.124 559 HD3 ARG 9 1HD ARG 9 -1.286 12.026 17.555 560 HH11 ARG 9 1HH1 ARG 9 -3.746 11.884 18.644 561 HH12 ARG 9 2HH1 ARG 9 -5.346 12.184 18.160 562 HH21 ARG 9 1HH2 ARG 9 -4.798 11.843 14.694 563 HH22 ARG 9 2HH2 ARG 9 -5.993 12.101 15.904 564 H THR 10 H THR 10 -2.411 5.545 16.022 565 HA THR 10 HA THR 10 -0.593 4.396 17.909 566 HB THR 10 HB THR 10 -1.680 2.299 17.040 567 HG1 THR 10 1HG THR 10 -2.256 3.395 15.013 568 HG21 THR 10 3HG2 THR 10 -3.840 2.773 18.146 569 HG22 THR 10 1HG2 THR 10 -3.489 4.500 18.068 570 HG23 THR 10 2HG2 THR 10 -2.491 3.444 19.064 571 H CYS 11 H CYS 11 1.431 3.910 17.323 572 HA CYS 11 HA CYS 11 1.932 3.228 14.529 573 HB2 CYS 11 2HB CYS 11 3.639 5.149 16.170 574 HB3 CYS 11 1HB CYS 11 3.773 4.809 14.454 575 H VAL 12 H VAL 12 3.809 1.809 14.354 576 HA VAL 12 HA VAL 12 5.013 0.808 16.842 577 HB VAL 12 HB VAL 12 3.648 -1.050 14.845 578 HG11 VAL 12 1HG1 VAL 12 5.040 -1.710 17.438 579 HG12 VAL 12 2HG1 VAL 12 5.625 -2.080 15.818 580 HG13 VAL 12 3HG1 VAL 12 4.161 -2.859 16.429 581 HG21 VAL 12 3HG2 VAL 12 2.093 -1.624 16.651 582 HG22 VAL 12 1HG2 VAL 12 2.004 0.086 16.217 583 HG23 VAL 12 2HG2 VAL 12 2.855 -0.406 17.679 584 H SER 13 H SER 13 7.041 -0.116 16.518 585 HA SER 13 HA SER 13 8.165 0.094 13.844 586 HG SER 13 HG SER 13 10.139 0.542 17.387 587 HB2 SER 13 2HB SER 13 10.335 0.084 15.156 588 HB3 SER 13 1HB SER 13 9.304 1.481 15.451 589 H LEU 14 H LEU 14 8.597 -1.762 12.807 590 HA LEU 14 HA LEU 14 8.914 -4.232 14.375 591 HG LEU 14 HG LEU 14 6.187 -5.262 11.951 592 HB2 LEU 14 2HB LEU 14 8.114 -3.840 11.465 593 HB3 LEU 14 1HB LEU 14 8.526 -5.394 12.111 594 HD11 LEU 14 1HD1 LEU 14 7.063 -6.406 13.868 595 HD12 LEU 14 2HD1 LEU 14 5.491 -5.682 14.242 596 HD13 LEU 14 3HD1 LEU 14 6.986 -4.926 14.812 597 HD21 LEU 14 3HD2 LEU 14 5.894 -2.841 11.897 598 HD22 LEU 14 1HD2 LEU 14 6.303 -2.747 13.608 599 HD23 LEU 14 2HD2 LEU 14 4.818 -3.564 13.100 600 H THR 15 H THR 15 10.940 -4.856 14.585 601 HA THR 15 HA THR 15 12.782 -4.134 12.437 602 HB THR 15 HB THR 15 14.550 -4.083 14.201 603 HG1 THR 15 1HG THR 15 13.129 -5.422 15.629 604 HG21 THR 15 3HG2 THR 15 12.214 -2.238 14.751 605 HG22 THR 15 1HG2 THR 15 13.459 -1.982 13.530 606 HG23 THR 15 2HG2 THR 15 13.884 -1.953 15.242 607 H THR 16 H THR 16 13.159 -5.931 11.355 608 HA THR 16 HA THR 16 14.370 -8.138 12.582 609 HB THR 16 HB THR 16 12.188 -8.691 13.397 610 HG1 THR 16 1HG THR 16 13.598 -10.308 12.453 611 HG21 THR 16 3HG2 THR 16 10.273 -9.197 11.910 612 HG22 THR 16 1HG2 THR 16 11.225 -8.653 10.528 613 HG23 THR 16 2HG2 THR 16 10.773 -7.509 11.793 614 H GLN 17 H GLN 17 15.825 -8.571 11.172 615 HA GLN 17 HA GLN 17 16.948 -9.208 9.306 616 HB2 GLN 17 2HB GLN 17 15.380 -11.097 9.477 617 HB3 GLN 17 1HB GLN 17 14.216 -10.245 8.480 618 HG2 GLN 17 2HG GLN 17 15.330 -11.981 7.189 619 HG3 GLN 17 1HG GLN 17 15.766 -10.384 6.589 620 HE21 GLN 17 1HE2 GLN 17 17.141 -12.999 6.360 621 HE22 GLN 17 2HE2 GLN 17 18.733 -12.725 6.948 622 H ARG 18 H ARG 18 15.641 -6.500 9.290 623 HA ARG 18 HA ARG 18 15.469 -6.179 6.382 624 HE ARG 18 HE ARG 18 10.801 -5.783 9.182 625 HB2 ARG 18 2HB ARG 18 14.675 -4.083 8.379 626 HB3 ARG 18 1HB ARG 18 14.247 -4.208 6.666 627 HG2 ARG 18 2HG ARG 18 13.036 -6.375 7.311 628 HG3 ARG 18 1HG ARG 18 13.256 -5.792 8.964 629 HD2 ARG 18 2HD ARG 18 12.010 -3.737 8.375 630 HD3 ARG 18 1HD ARG 18 11.771 -4.423 6.766 631 HH11 ARG 18 1HH1 ARG 18 10.181 -4.491 5.966 632 HH12 ARG 18 2HH1 ARG 18 8.572 -5.041 5.873 633 HH21 ARG 18 1HH2 ARG 18 8.512 -6.534 9.113 634 HH22 ARG 18 2HH2 ARG 18 7.613 -6.253 7.724 635 H LEU 19 H LEU 19 17.141 -5.357 5.424 636 HA LEU 19 HA LEU 19 19.377 -4.499 6.935 637 HG LEU 19 HG LEU 19 18.723 -3.591 3.232 638 HB2 LEU 19 2HB LEU 19 20.585 -4.268 4.795 639 HB3 LEU 19 1HB LEU 19 19.822 -5.821 4.972 640 HD11 LEU 19 1HD1 LEU 19 20.383 -5.996 2.500 641 HD12 LEU 19 2HD1 LEU 19 20.902 -4.313 2.430 642 HD13 LEU 19 3HD1 LEU 19 19.621 -4.890 1.357 643 HD21 LEU 19 3HD2 LEU 19 17.500 -5.457 2.167 644 HD22 LEU 19 1HD2 LEU 19 16.979 -5.180 3.815 645 HD23 LEU 19 2HD2 LEU 19 18.051 -6.540 3.433 646 HA PRO 20 HA PRO 20 19.033 -0.159 7.208 647 HB2 PRO 20 2HB PRO 20 21.783 0.064 6.142 648 HB3 PRO 20 1HB PRO 20 21.114 0.658 7.665 649 HG2 PRO 20 2HG PRO 20 22.709 -1.460 7.606 650 HG3 PRO 20 1HG PRO 20 21.312 -1.395 8.699 651 HD2 PRO 20 2HD PRO 20 21.641 -2.885 6.132 652 HD3 PRO 20 1HD PRO 20 20.812 -3.331 7.644 653 H VAL 21 H VAL 21 18.285 1.339 6.028 654 HA VAL 21 HA VAL 21 18.783 1.409 3.140 655 HB VAL 21 HB VAL 21 16.398 1.214 3.919 656 HG11 VAL 21 1HG1 VAL 21 16.823 3.954 5.066 657 HG12 VAL 21 2HG1 VAL 21 16.473 2.471 5.951 658 HG13 VAL 21 3HG1 VAL 21 15.257 3.171 4.880 659 HG21 VAL 21 3HG2 VAL 21 15.455 2.968 2.467 660 HG22 VAL 21 1HG2 VAL 21 16.839 2.166 1.723 661 HG23 VAL 21 2HG2 VAL 21 17.028 3.766 2.440 662 H SER 22 H SER 22 19.369 3.475 2.174 663 HA SER 22 HA SER 22 21.076 4.977 3.889 664 HG SER 22 HG SER 22 21.925 3.625 2.246 665 HB2 SER 22 2HB SER 22 20.380 5.447 0.986 666 HB3 SER 22 1HB SER 22 21.683 6.224 1.880 667 H ARG 23 H ARG 23 17.933 5.554 2.399 668 HA ARG 23 HA ARG 23 17.827 8.065 3.911 669 HE ARG 23 HE ARG 23 20.253 10.393 0.764 670 HB2 ARG 23 2HB ARG 23 16.614 7.551 1.188 671 HB3 ARG 23 1HB ARG 23 16.359 8.996 2.152 672 HG2 ARG 23 2HG ARG 23 19.005 8.074 1.034 673 HG3 ARG 23 1HG ARG 23 18.011 9.393 0.405 674 HD2 ARG 23 2HD ARG 23 18.261 10.597 2.500 675 HD3 ARG 23 1HD ARG 23 19.190 9.268 3.176 676 HH11 ARG 23 1HH1 ARG 23 20.215 10.473 4.294 677 HH12 ARG 23 2HH1 ARG 23 21.732 11.224 4.464 678 HH21 ARG 23 1HH2 ARG 23 22.366 11.437 0.984 679 HH22 ARG 23 2HH2 ARG 23 22.982 11.808 2.522 680 H ILE 24 H ILE 24 16.123 8.404 5.125 681 HA ILE 24 HA ILE 24 14.329 6.207 5.592 682 HB ILE 24 HB ILE 24 14.297 9.021 6.721 683 HG12 ILE 24 2HG1 ILE 24 16.402 7.928 7.281 684 HG13 ILE 24 1HG1 ILE 24 15.384 8.059 8.710 685 HG21 ILE 24 1HG2 ILE 24 12.909 6.533 7.717 686 HG22 ILE 24 2HG2 ILE 24 12.138 7.938 6.978 687 HG23 ILE 24 3HG2 ILE 24 12.934 8.090 8.546 688 HD11 ILE 24 3HD1 ILE 24 15.755 5.569 7.059 689 HD12 ILE 24 1HD1 ILE 24 14.795 5.733 8.538 690 HD13 ILE 24 2HD1 ILE 24 16.545 5.925 8.598 691 H LYS 25 H LYS 25 12.631 5.901 4.381 692 HA LYS 25 HA LYS 25 11.629 8.133 2.783 693 HB2 LYS 25 2HB LYS 25 11.001 5.177 2.394 694 HB3 LYS 25 1HB LYS 25 10.625 6.555 1.357 695 HG2 LYS 25 2HG LYS 25 13.422 5.674 1.952 696 HG3 LYS 25 1HG LYS 25 12.499 5.183 0.530 697 HD2 LYS 25 2HD LYS 25 12.925 8.004 1.321 698 HD3 LYS 25 1HD LYS 25 14.068 7.182 0.229 699 HE2 LYS 25 2HE LYS 25 11.103 7.720 -0.216 700 HE3 LYS 25 1HE LYS 25 12.435 8.585 -0.965 701 HZ1 LYS 25 3HZ LYS 25 13.091 6.509 -2.079 702 HZ2 LYS 25 1HZ LYS 25 11.540 6.970 -2.485 703 HZ3 LYS 25 2HZ LYS 25 11.762 5.695 -1.437 704 H THR 26 H THR 26 9.759 9.094 3.241 705 HA THR 26 HA THR 26 7.898 7.786 5.114 706 HB THR 26 HB THR 26 7.081 10.110 5.432 707 HG1 THR 26 1HG THR 26 8.163 11.799 4.557 708 HG21 THR 26 3HG2 THR 26 10.044 9.775 5.908 709 HG22 THR 26 1HG2 THR 26 8.750 9.197 6.958 710 HG23 THR 26 2HG2 THR 26 8.995 10.928 6.733 711 H TYR 27 H TYR 27 6.078 7.098 4.369 712 HA TYR 27 HA TYR 27 5.083 8.238 1.874 713 HD1 TYR 27 2HD TYR 27 4.957 6.954 -0.597 714 HD2 TYR 27 1HD TYR 27 7.536 5.080 2.195 715 HE1 TYR 27 2HE TYR 27 6.658 6.877 -2.288 716 HE2 TYR 27 1HE TYR 27 9.311 4.972 0.492 717 HH TYR 27 HH TYR 27 9.631 5.040 -1.847 718 HB2 TYR 27 2HB TYR 27 5.206 5.349 2.660 719 HB3 TYR 27 1HB TYR 27 4.096 5.943 1.428 720 H THR 28 H THR 28 3.146 8.890 1.883 721 HA THR 28 HA THR 28 1.622 8.323 4.309 722 HB THR 28 HB THR 28 0.576 10.612 4.022 723 HG1 THR 28 1HG THR 28 1.756 10.515 1.695 724 HG21 THR 28 3HG2 THR 28 3.586 10.564 4.339 725 HG22 THR 28 1HG2 THR 28 2.428 10.266 5.625 726 HG23 THR 28 2HG2 THR 28 2.521 11.854 4.880 727 H ILE 29 H ILE 29 -0.198 7.295 4.053 728 HA ILE 29 HA ILE 29 -1.590 7.551 1.503 729 HB ILE 29 HB ILE 29 -1.285 5.129 3.277 730 HG12 ILE 29 2HG1 ILE 29 -0.689 5.543 0.342 731 HG13 ILE 29 1HG1 ILE 29 0.507 5.666 1.624 732 HG21 ILE 29 1HG2 ILE 29 -2.825 3.950 1.748 733 HG22 ILE 29 2HG2 ILE 29 -3.133 5.460 0.895 734 HG23 ILE 29 3HG2 ILE 29 -3.644 5.279 2.569 735 HD11 ILE 29 3HD1 ILE 29 0.413 3.495 0.342 736 HD12 ILE 29 1HD1 ILE 29 -1.100 3.167 1.272 737 HD13 ILE 29 2HD1 ILE 29 0.425 3.462 2.087 738 H THR 30 H THR 30 -3.440 8.506 1.656 739 HA THR 30 HA THR 30 -4.919 8.395 4.170 740 HB THR 30 HB THR 30 -4.479 10.691 3.505 741 HG1 THR 30 1HG THR 30 -7.131 10.370 2.633 742 HG21 THR 30 3HG2 THR 30 -5.714 9.996 0.833 743 HG22 THR 30 1HG2 THR 30 -4.022 10.382 1.150 744 HG23 THR 30 2HG2 THR 30 -5.253 11.620 1.352 745 H GLU 31 H GLU 31 -6.906 7.576 4.197 746 HA GLU 31 HA GLU 31 -8.159 6.830 1.699 747 HB2 GLU 31 2HB GLU 31 -6.927 4.830 2.227 748 HB3 GLU 31 1HB GLU 31 -7.455 4.879 3.894 749 HG2 GLU 31 2HG GLU 31 -8.552 3.117 2.532 750 HG3 GLU 31 1HG GLU 31 -9.668 4.253 3.279 751 H GLY 32 H GLY 32 -9.751 8.221 1.955 752 HA2 GLY 32 2HA GLY 32 -11.893 8.765 2.567 753 HA3 GLY 32 1HA GLY 32 -11.845 7.476 3.760 754 H SER 33 H SER 33 -10.290 7.977 5.593 755 HA SER 33 HA SER 33 -10.275 10.783 6.329 756 HG SER 33 HG SER 33 -12.502 10.454 5.996 757 HB2 SER 33 2HB SER 33 -11.804 8.794 8.022 758 HB3 SER 33 1HB SER 33 -11.520 10.485 8.414 759 H LEU 34 H LEU 34 -9.027 7.542 6.921 760 HA LEU 34 HA LEU 34 -7.357 8.593 9.065 761 HG LEU 34 HG LEU 34 -6.384 5.406 7.281 762 HB2 LEU 34 2HB LEU 34 -6.580 6.355 9.545 763 HB3 LEU 34 1HB LEU 34 -8.325 6.283 9.406 764 HD11 LEU 34 1HD1 LEU 34 -6.851 3.140 8.104 765 HD12 LEU 34 2HD1 LEU 34 -7.799 3.827 9.428 766 HD13 LEU 34 3HD1 LEU 34 -6.071 4.160 9.320 767 HD21 LEU 34 3HD2 LEU 34 -8.651 5.919 6.476 768 HD22 LEU 34 1HD2 LEU 34 -9.324 4.830 7.690 769 HD23 LEU 34 2HD2 LEU 34 -8.299 4.203 6.391 770 H ARG 35 H ARG 35 -5.207 8.788 8.979 771 HA ARG 35 HA ARG 35 -4.028 8.440 6.299 772 HE ARG 35 HE ARG 35 -4.322 11.737 9.284 773 HB2 ARG 35 2HB ARG 35 -3.186 10.397 8.457 774 HB3 ARG 35 1HB ARG 35 -2.317 10.143 6.960 775 HG2 ARG 35 2HG ARG 35 -3.563 12.136 6.696 776 HG3 ARG 35 1HG ARG 35 -4.393 10.907 5.751 777 HD2 ARG 35 2HD ARG 35 -5.999 12.259 6.961 778 HD3 ARG 35 1HD ARG 35 -6.005 10.614 7.595 779 HH11 ARG 35 1HH1 ARG 35 -7.432 12.850 8.152 780 HH12 ARG 35 2HH1 ARG 35 -7.741 13.917 9.449 781 HH21 ARG 35 1HH2 ARG 35 -4.659 13.058 11.067 782 HH22 ARG 35 2HH2 ARG 35 -6.020 14.038 11.268 783 H ALA 36 H ALA 36 -2.543 6.941 6.105 784 HA ALA 36 HA ALA 36 -1.214 5.990 8.548 785 HB1 ALA 36 1HB ALA 36 -2.651 4.305 7.509 786 HB2 ALA 36 2HB ALA 36 -0.954 3.836 7.393 787 HB3 ALA 36 3HB ALA 36 -1.783 4.501 5.986 788 H VAL 37 H VAL 37 0.975 6.006 8.610 789 HA VAL 37 HA VAL 37 2.343 6.845 6.158 790 HB VAL 37 HB VAL 37 3.189 7.570 8.973 791 HG11 VAL 37 1HG1 VAL 37 4.759 9.096 7.856 792 HG12 VAL 37 2HG1 VAL 37 4.229 8.485 6.290 793 HG13 VAL 37 3HG1 VAL 37 5.053 7.411 7.420 794 HG21 VAL 37 3HG2 VAL 37 1.200 8.817 8.507 795 HG22 VAL 37 1HG2 VAL 37 1.770 9.106 6.876 796 HG23 VAL 37 2HG2 VAL 37 2.592 9.906 8.230 797 H ILE 38 H ILE 38 3.911 5.633 5.500 798 HA ILE 38 HA ILE 38 4.887 3.435 7.139 799 HB ILE 38 HB ILE 38 4.842 3.996 4.164 800 HG12 ILE 38 2HG1 ILE 38 3.472 1.828 5.739 801 HG13 ILE 38 1HG1 ILE 38 2.712 3.340 5.254 802 HG21 ILE 38 1HG2 ILE 38 5.937 1.570 5.590 803 HG22 ILE 38 2HG2 ILE 38 6.885 2.809 4.761 804 HG23 ILE 38 3HG2 ILE 38 5.777 1.792 3.841 805 HD11 ILE 38 3HD1 ILE 38 2.841 2.842 3.057 806 HD12 ILE 38 1HD1 ILE 38 2.220 1.384 3.805 807 HD13 ILE 38 2HD1 ILE 38 3.921 1.435 3.269 808 H PHE 39 H PHE 39 6.746 3.887 8.083 809 HA PHE 39 HA PHE 39 8.586 5.754 6.794 810 HD1 PHE 39 1HD PHE 39 9.251 8.095 8.556 811 HD2 PHE 39 2HD PHE 39 6.306 5.545 10.233 812 HE1 PHE 39 1HE PHE 39 7.946 10.070 9.261 813 HE2 PHE 39 2HE PHE 39 5.011 7.512 10.946 814 HZ PHE 39 HZ PHE 39 5.829 9.769 10.461 815 HB2 PHE 39 2HB PHE 39 8.411 4.720 9.617 816 HB3 PHE 39 1HB PHE 39 9.726 5.742 9.037 817 H ILE 40 H ILE 40 9.997 4.794 5.634 818 HA ILE 40 HA ILE 40 10.780 2.057 6.209 819 HB ILE 40 HB ILE 40 11.752 3.966 4.075 820 HG12 ILE 40 2HG1 ILE 40 9.379 3.610 3.671 821 HG13 ILE 40 1HG1 ILE 40 10.304 2.662 2.521 822 HG21 ILE 40 1HG2 ILE 40 12.527 1.904 2.915 823 HG22 ILE 40 2HG2 ILE 40 12.139 1.011 4.406 824 HG23 ILE 40 3HG2 ILE 40 13.358 2.266 4.427 825 HD11 ILE 40 3HD1 ILE 40 9.807 0.627 3.735 826 HD12 ILE 40 1HD1 ILE 40 8.337 1.529 3.385 827 HD13 ILE 40 2HD1 ILE 40 9.005 1.584 5.001 828 H THR 41 H THR 41 12.338 1.770 7.674 829 HA THR 41 HA THR 41 14.226 3.944 7.964 830 HB THR 41 HB THR 41 12.679 4.003 9.844 831 HG1 THR 41 1HG THR 41 14.146 3.994 11.446 832 HG21 THR 41 3HG2 THR 41 11.977 1.657 9.874 833 HG22 THR 41 1HG2 THR 41 12.546 2.165 11.466 834 HG23 THR 41 2HG2 THR 41 13.582 1.182 10.430 835 H LYS 42 H LYS 42 16.218 3.236 9.202 836 HA LYS 42 HA LYS 42 17.261 1.155 7.537 837 HB2 LYS 42 2HB LYS 42 19.477 1.785 8.086 838 HB3 LYS 42 1HB LYS 42 18.555 3.239 7.865 839 HG2 LYS 42 2HG LYS 42 19.437 2.108 10.540 840 HG3 LYS 42 1HG LYS 42 20.298 3.338 9.650 841 HD2 LYS 42 2HD LYS 42 19.183 4.581 11.247 842 HD3 LYS 42 1HD LYS 42 18.049 4.672 9.906 843 HE2 LYS 42 2HE LYS 42 16.705 2.901 10.927 844 HE3 LYS 42 1HE LYS 42 17.887 2.743 12.223 845 HZ1 LYS 42 3HZ LYS 42 17.380 4.995 12.936 846 HZ2 LYS 42 1HZ LYS 42 15.985 4.092 12.905 847 HZ3 LYS 42 2HZ LYS 42 16.281 5.205 11.688 848 H ARG 43 H ARG 43 15.792 0.936 10.393 849 HA ARG 43 HA ARG 43 17.365 -1.448 11.083 850 HE ARG 43 HE ARG 43 16.951 -2.694 15.966 851 HB2 ARG 43 2HB ARG 43 17.403 0.320 12.828 852 HB3 ARG 43 1HB ARG 43 15.655 0.243 12.910 853 HG2 ARG 43 2HG ARG 43 15.807 -2.086 13.695 854 HG3 ARG 43 1HG ARG 43 17.566 -1.961 13.651 855 HD2 ARG 43 2HD ARG 43 17.530 -0.218 15.299 856 HD3 ARG 43 1HD ARG 43 15.766 -0.175 15.252 857 HH11 ARG 43 1HH1 ARG 43 15.632 0.390 17.131 858 HH12 ARG 43 2HH1 ARG 43 15.197 -0.186 18.673 859 HH21 ARG 43 1HH2 ARG 43 16.320 -3.515 18.126 860 HH22 ARG 43 2HH2 ARG 43 15.568 -2.469 19.235 861 H GLY 44 H GLY 44 14.552 -0.574 9.537 862 HA2 GLY 44 2HA GLY 44 13.449 -2.917 9.263 863 HA3 GLY 44 1HA GLY 44 12.871 -2.492 10.859 864 H LEU 45 H LEU 45 10.798 -2.185 10.521 865 HA LEU 45 HA LEU 45 9.941 -0.219 8.510 866 HG LEU 45 HG LEU 45 7.035 -2.510 7.435 867 HB2 LEU 45 2HB LEU 45 9.342 -2.461 7.778 868 HB3 LEU 45 1HB LEU 45 8.674 -2.846 9.331 869 HD11 LEU 45 1HD1 LEU 45 5.365 -1.278 8.734 870 HD12 LEU 45 2HD1 LEU 45 6.620 -0.819 9.895 871 HD13 LEU 45 3HD1 LEU 45 6.195 -2.518 9.659 872 HD21 LEU 45 3HD2 LEU 45 7.742 0.397 7.802 873 HD22 LEU 45 1HD2 LEU 45 6.396 -0.224 6.846 874 HD23 LEU 45 2HD2 LEU 45 8.056 -0.585 6.366 875 H LYS 46 H LYS 46 8.923 1.474 9.359 876 HA LYS 46 HA LYS 46 7.769 1.115 12.011 877 HB2 LYS 46 2HB LYS 46 9.663 2.558 12.169 878 HB3 LYS 46 1HB LYS 46 9.179 3.512 10.795 879 HG2 LYS 46 2HG LYS 46 8.755 4.766 12.821 880 HG3 LYS 46 1HG LYS 46 7.196 4.276 12.154 881 HD2 LYS 46 2HD LYS 46 7.103 2.444 13.758 882 HD3 LYS 46 1HD LYS 46 8.682 2.946 14.377 883 HE2 LYS 46 2HE LYS 46 6.206 4.666 14.383 884 HE3 LYS 46 1HE LYS 46 6.824 3.772 15.773 885 HZ1 LYS 46 3HZ LYS 46 8.309 5.900 14.323 886 HZ2 LYS 46 1HZ LYS 46 8.840 5.074 15.679 887 HZ3 LYS 46 2HZ LYS 46 7.527 6.116 15.792 888 H VAL 47 H VAL 47 5.683 1.278 12.018 889 HA VAL 47 HA VAL 47 4.366 2.627 9.779 890 HB VAL 47 HB VAL 47 3.779 0.227 10.003 891 HG11 VAL 47 1HG1 VAL 47 2.772 0.998 12.741 892 HG12 VAL 47 2HG1 VAL 47 4.112 -0.077 12.382 893 HG13 VAL 47 3HG1 VAL 47 2.462 -0.557 11.986 894 HG21 VAL 47 3HG2 VAL 47 2.115 1.751 9.088 895 HG22 VAL 47 1HG2 VAL 47 1.535 2.123 10.709 896 HG23 VAL 47 2HG2 VAL 47 1.315 0.505 10.051 897 H CYS 48 H CYS 48 2.936 4.250 10.225 898 HA CYS 48 HA CYS 48 2.276 4.657 13.027 899 HB2 CYS 48 2HB CYS 48 4.306 6.031 12.268 900 HB3 CYS 48 1HB CYS 48 3.169 6.881 11.221 901 H ALA 49 H ALA 49 0.166 5.371 13.263 902 HA ALA 49 HA ALA 49 -1.261 5.896 10.756 903 HB1 ALA 49 1HB ALA 49 -3.144 4.623 11.620 904 HB2 ALA 49 2HB ALA 49 -2.250 4.297 13.102 905 HB3 ALA 49 3HB ALA 49 -1.687 3.622 11.576 906 H ASP 50 H ASP 50 -2.370 7.699 10.773 907 HA ASP 50 HA ASP 50 -2.843 8.948 13.364 908 HB2 ASP 50 2HB ASP 50 -1.164 10.227 12.149 909 HB3 ASP 50 1HB ASP 50 -2.213 10.312 10.740 910 HA PRO 51 HA PRO 51 -6.993 8.234 11.986 911 HB2 PRO 51 2HB PRO 51 -8.161 8.865 14.312 912 HB3 PRO 51 1HB PRO 51 -7.304 7.336 14.079 913 HG2 PRO 51 2HG PRO 51 -6.369 9.849 15.398 914 HG3 PRO 51 1HG PRO 51 -6.188 8.169 15.941 915 HD2 PRO 51 2HD PRO 51 -4.214 9.518 14.709 916 HD3 PRO 51 1HD PRO 51 -4.430 7.763 14.520 917 H GLN 52 H GLN 52 -8.733 9.375 11.608 918 HA GLN 52 HA GLN 52 -8.706 12.036 10.899 919 HB2 GLN 52 2HB GLN 52 -11.229 11.711 10.915 920 HB3 GLN 52 1HB GLN 52 -10.280 10.570 9.958 921 HG2 GLN 52 2HG GLN 52 -10.387 8.938 11.689 922 HG3 GLN 52 1HG GLN 52 -11.298 10.015 12.750 923 HE21 GLN 52 1HE2 GLN 52 -13.478 10.442 12.188 924 HE22 GLN 52 2HE2 GLN 52 -14.343 9.370 11.133 925 H ALA 53 H ALA 53 -8.086 13.475 12.432 926 HA ALA 53 HA ALA 53 -9.181 13.379 15.083 927 HB1 ALA 53 1HB ALA 53 -7.720 15.268 15.591 928 HB2 ALA 53 2HB ALA 53 -7.293 15.404 13.890 929 HB3 ALA 53 3HB ALA 53 -6.832 13.964 14.798 930 H THR 54 H THR 54 -8.763 16.499 13.503 931 HA THR 54 HA THR 54 -11.630 16.965 13.854 932 HB THR 54 HB THR 54 -10.886 19.374 14.098 933 HG1 THR 54 1HG THR 54 -8.557 19.257 14.977 934 HG21 THR 54 3HG2 THR 54 -10.223 19.093 16.454 935 HG22 THR 54 1HG2 THR 54 -9.926 17.381 16.156 936 HG23 THR 54 2HG2 THR 54 -11.563 18.029 16.028 937 H TRP 55 H TRP 55 -9.469 16.304 11.581 938 HA TRP 55 HA TRP 55 -10.877 17.622 9.497 939 HD1 TRP 55 HD TRP 55 -7.749 18.983 12.230 940 HE1 TRP 55 1HE TRP 55 -5.237 18.491 12.297 941 HE3 TRP 55 3HE TRP 55 -7.041 17.718 7.326 942 HZ2 TRP 55 2HZ TRP 55 -3.204 17.677 10.508 943 HZ3 TRP 55 3HZ TRP 55 -4.774 17.097 6.588 944 HH2 TRP 55 HH TRP 55 -2.901 17.079 8.148 945 HB2 TRP 55 2HB TRP 55 -8.935 18.853 8.592 946 HB3 TRP 55 1HB TRP 55 -9.424 19.470 10.166 947 H VAL 56 H VAL 56 -9.864 17.065 7.394 948 HA VAL 56 HA VAL 56 -8.009 14.889 7.364 949 HB VAL 56 HB VAL 56 -10.083 13.625 7.625 950 HG11 VAL 56 1HG1 VAL 56 -11.679 15.327 6.943 951 HG12 VAL 56 2HG1 VAL 56 -11.951 13.819 6.066 952 HG13 VAL 56 3HG1 VAL 56 -11.148 15.173 5.268 953 HG21 VAL 56 3HG2 VAL 56 -10.146 12.406 5.436 954 HG22 VAL 56 1HG2 VAL 56 -8.537 12.595 6.130 955 HG23 VAL 56 2HG2 VAL 56 -9.052 13.629 4.794 956 H ARG 57 H ARG 57 -6.799 14.982 5.491 957 HA ARG 57 HA ARG 57 -7.855 16.741 3.424 958 HE ARG 57 HE ARG 57 -4.821 19.881 1.284 959 HB2 ARG 57 2HB ARG 57 -5.958 17.739 4.762 960 HB3 ARG 57 1HB ARG 57 -4.938 16.446 4.160 961 HG2 ARG 57 2HG ARG 57 -5.263 17.226 1.884 962 HG3 ARG 57 1HG ARG 57 -6.334 18.506 2.463 963 HD2 ARG 57 2HD ARG 57 -4.433 19.330 3.874 964 HD3 ARG 57 1HD ARG 57 -3.411 18.148 3.062 965 HH11 ARG 57 1HH1 ARG 57 -1.888 19.514 3.224 966 HH12 ARG 57 2HH1 ARG 57 -0.977 20.627 2.295 967 HH21 ARG 57 1HH2 ARG 57 -3.575 21.440 0.062 968 HH22 ARG 57 2HH2 ARG 57 -1.955 21.745 0.482 969 H ASP 58 H ASP 58 -8.720 14.965 2.417 970 HA ASP 58 HA ASP 58 -6.873 12.875 1.546 971 HB2 ASP 58 2HB ASP 58 -8.939 12.194 2.752 972 HB3 ASP 58 1HB ASP 58 -9.902 12.984 1.515 973 H VAL 59 H VAL 59 -5.956 13.467 -0.344 974 HA VAL 59 HA VAL 59 -7.622 14.948 -2.211 975 HB VAL 59 HB VAL 59 -5.523 15.751 -3.254 976 HG11 VAL 59 1HG1 VAL 59 -4.930 17.306 -1.427 977 HG12 VAL 59 2HG1 VAL 59 -5.788 16.269 -0.288 978 HG13 VAL 59 3HG1 VAL 59 -6.676 17.097 -1.560 979 HG21 VAL 59 3HG2 VAL 59 -4.198 14.426 -0.891 980 HG22 VAL 59 1HG2 VAL 59 -3.401 15.484 -2.052 981 HG23 VAL 59 2HG2 VAL 59 -4.032 13.921 -2.573 982 H VAL 60 H VAL 60 -5.525 12.171 -2.055 983 HA VAL 60 HA VAL 60 -6.659 11.318 -4.619 984 HB VAL 60 HB VAL 60 -3.790 10.728 -3.760 985 HG11 VAL 60 1HG1 VAL 60 -3.517 9.814 -6.006 986 HG12 VAL 60 2HG1 VAL 60 -5.224 10.111 -6.328 987 HG13 VAL 60 3HG1 VAL 60 -4.753 8.955 -5.082 988 HG21 VAL 60 3HG2 VAL 60 -4.736 12.611 -5.928 989 HG22 VAL 60 1HG2 VAL 60 -3.062 12.191 -5.587 990 HG23 VAL 60 2HG2 VAL 60 -4.004 13.096 -4.405 Start of MODEL 18 1 HA VAL 1 HA VAL 1 17.054 -17.806 12.682 2 HB VAL 1 HB VAL 1 15.504 -15.865 12.672 3 H1 VAL 1 1HT VAL 1 16.524 -18.724 10.526 4 H2 VAL 1 2HT VAL 1 15.004 -19.199 11.123 5 H3 VAL 1 3HT VAL 1 16.397 -19.847 11.780 6 HG11 VAL 1 2HG1 VAL 1 17.345 -15.903 11.091 7 HG12 VAL 1 3HG1 VAL 1 15.934 -15.116 10.378 8 HG13 VAL 1 1HG1 VAL 1 16.345 -16.768 9.924 9 HG21 VAL 1 1HG2 VAL 1 13.410 -17.040 12.230 10 HG22 VAL 1 2HG2 VAL 1 13.968 -17.452 10.607 11 HG23 VAL 1 3HG2 VAL 1 13.668 -15.767 11.034 12 H GLY 2 H GLY 2 16.393 -17.265 14.821 13 HA2 GLY 2 2HA GLY 2 13.869 -18.079 15.825 14 HA3 GLY 2 1HA GLY 2 15.147 -19.208 16.257 15 H SER 3 H SER 3 13.599 -17.514 17.973 16 HA SER 3 HA SER 3 13.801 -16.268 19.817 17 HG SER 3 HG SER 3 16.036 -15.056 20.960 18 HB2 SER 3 2HB SER 3 15.692 -17.772 20.358 19 HB3 SER 3 1HB SER 3 16.791 -16.717 19.474 20 H GLU 4 H GLU 4 14.222 -15.100 16.982 21 HA GLU 4 HA GLU 4 14.584 -12.375 17.889 22 HB2 GLU 4 2HB GLU 4 16.222 -11.817 16.187 23 HB3 GLU 4 1HB GLU 4 16.863 -13.059 17.251 24 HG2 GLU 4 2HG GLU 4 16.424 -14.754 15.584 25 HG3 GLU 4 1HG GLU 4 15.668 -13.556 14.536 26 H VAL 5 H VAL 5 14.116 -10.886 16.060 27 HA VAL 5 HA VAL 5 12.164 -12.108 14.303 28 HB VAL 5 HB VAL 5 11.157 -9.757 14.139 29 HG11 VAL 5 1HG1 VAL 5 9.955 -9.984 16.271 30 HG12 VAL 5 2HG1 VAL 5 11.187 -11.109 16.839 31 HG13 VAL 5 3HG1 VAL 5 10.150 -11.553 15.485 32 HG21 VAL 5 3HG2 VAL 5 11.641 -8.245 16.007 33 HG22 VAL 5 1HG2 VAL 5 13.075 -8.515 15.011 34 HG23 VAL 5 2HG2 VAL 5 12.908 -9.334 16.565 35 H SER 6 H SER 6 13.195 -12.587 12.524 36 HA SER 6 HA SER 6 13.920 -10.470 10.777 37 HG SER 6 HG SER 6 16.824 -11.918 9.674 38 HB2 SER 6 2HB SER 6 16.053 -10.858 12.031 39 HB3 SER 6 1HB SER 6 16.019 -12.544 11.506 40 H ASP 7 H ASP 7 13.763 -11.174 8.702 41 HA ASP 7 HA ASP 7 13.132 -12.334 6.924 42 HB2 ASP 7 2HB ASP 7 14.116 -14.710 8.504 43 HB3 ASP 7 1HB ASP 7 13.396 -14.909 6.909 44 H LYS 8 H LYS 8 11.780 -13.389 9.850 45 HA LYS 8 HA LYS 8 9.319 -14.383 8.812 46 HB2 LYS 8 2HB LYS 8 9.904 -13.158 11.520 47 HB3 LYS 8 1HB LYS 8 8.546 -14.192 11.114 48 HG2 LYS 8 2HG LYS 8 10.018 -16.065 10.764 49 HG3 LYS 8 1HG LYS 8 11.432 -15.052 11.051 50 HD2 LYS 8 2HD LYS 8 10.970 -16.326 13.043 51 HD3 LYS 8 1HD LYS 8 10.588 -14.641 13.354 52 HE2 LYS 8 2HE LYS 8 8.213 -15.097 13.018 53 HE3 LYS 8 1HE LYS 8 8.582 -16.779 12.639 54 HZ1 LYS 8 3HZ LYS 8 7.863 -16.560 14.916 55 HZ2 LYS 8 1HZ LYS 8 9.082 -15.436 15.238 56 HZ3 LYS 8 2HZ LYS 8 9.466 -17.044 14.867 57 H ARG 9 H ARG 9 7.982 -13.085 7.742 58 HA ARG 9 HA ARG 9 8.166 -10.275 7.886 59 HE ARG 9 HE ARG 9 4.300 -14.074 5.188 60 HB2 ARG 9 2HB ARG 9 6.131 -10.288 6.411 61 HB3 ARG 9 1HB ARG 9 7.547 -11.121 5.801 62 HG2 ARG 9 2HG ARG 9 6.510 -13.265 6.505 63 HG3 ARG 9 1HG ARG 9 5.061 -12.339 6.952 64 HD2 ARG 9 2HD ARG 9 4.766 -11.578 4.745 65 HD3 ARG 9 1HD ARG 9 6.330 -12.216 4.252 66 HH11 ARG 9 1HH1 ARG 9 6.135 -12.691 2.453 67 HH12 ARG 9 2HH1 ARG 9 5.749 -13.946 1.377 68 HH21 ARG 9 1HH2 ARG 9 3.765 -15.803 3.672 69 HH22 ARG 9 2HH2 ARG 9 4.363 -15.765 2.082 70 H THR 10 H THR 10 7.457 -8.957 9.349 71 HA THR 10 HA THR 10 5.622 -9.909 11.319 72 HB THR 10 HB THR 10 6.315 -7.714 12.378 73 HG1 THR 10 1HG THR 10 7.040 -6.940 10.180 74 HG21 THR 10 3HG2 THR 10 8.558 -8.545 13.000 75 HG22 THR 10 1HG2 THR 10 8.506 -9.680 11.651 76 HG23 THR 10 2HG2 THR 10 7.373 -9.852 12.993 77 H CYS 11 H CYS 11 3.692 -8.828 11.827 78 HA CYS 11 HA CYS 11 2.869 -6.610 10.131 79 HB2 CYS 11 2HB CYS 11 1.174 -9.049 10.768 80 HB3 CYS 11 1HB CYS 11 0.650 -7.624 9.895 81 H VAL 12 H VAL 12 1.398 -5.308 11.252 82 HA VAL 12 HA VAL 12 0.638 -6.117 13.985 83 HB VAL 12 HB VAL 12 1.862 -3.401 13.376 84 HG11 VAL 12 1HG1 VAL 12 1.026 -4.574 16.025 85 HG12 VAL 12 2HG1 VAL 12 0.155 -3.337 15.116 86 HG13 VAL 12 3HG1 VAL 12 1.746 -2.983 15.757 87 HG21 VAL 12 3HG2 VAL 12 3.048 -5.670 14.969 88 HG22 VAL 12 1HG2 VAL 12 3.744 -4.054 14.789 89 HG23 VAL 12 2HG2 VAL 12 3.597 -5.117 13.390 90 H SER 13 H SER 13 -1.294 -5.316 14.720 91 HA SER 13 HA SER 13 -2.715 -3.569 12.868 92 HG SER 13 HG SER 13 -3.026 -5.749 12.403 93 HB2 SER 13 2HB SER 13 -3.824 -5.442 14.975 94 HB3 SER 13 1HB SER 13 -4.738 -4.505 13.791 95 H LEU 14 H LEU 14 -3.046 -1.603 13.589 96 HA LEU 14 HA LEU 14 -3.087 -1.044 16.449 97 HG LEU 14 HG LEU 14 -2.036 0.949 13.341 98 HB2 LEU 14 2HB LEU 14 -1.968 1.160 15.872 99 HB3 LEU 14 1HB LEU 14 -0.909 -0.246 15.897 100 HD11 LEU 14 1HD1 LEU 14 0.620 1.494 14.677 101 HD12 LEU 14 2HD1 LEU 14 -0.719 2.631 14.567 102 HD13 LEU 14 3HD1 LEU 14 0.100 2.092 13.103 103 HD21 LEU 14 3HD2 LEU 14 -0.141 -0.200 12.305 104 HD22 LEU 14 1HD2 LEU 14 -1.161 -1.345 13.176 105 HD23 LEU 14 2HD2 LEU 14 0.366 -0.810 13.880 106 H THR 15 H THR 15 -4.563 0.512 17.016 107 HA THR 15 HA THR 15 -6.052 1.530 14.763 108 HB THR 15 HB THR 15 -7.432 -0.217 15.622 109 HG1 THR 15 1HG THR 15 -9.240 1.143 16.486 110 HG21 THR 15 3HG2 THR 15 -8.227 -0.280 17.960 111 HG22 THR 15 1HG2 THR 15 -7.161 1.075 18.343 112 HG23 THR 15 2HG2 THR 15 -6.477 -0.470 17.841 113 H THR 16 H THR 16 -6.830 3.499 14.872 114 HA THR 16 HA THR 16 -5.840 5.207 17.055 115 HB THR 16 HB THR 16 -4.819 5.623 14.933 116 HG1 THR 16 1HG THR 16 -6.666 7.510 15.872 117 HG21 THR 16 3HG2 THR 16 -6.495 4.781 13.395 118 HG22 THR 16 1HG2 THR 16 -6.112 6.445 12.960 119 HG23 THR 16 2HG2 THR 16 -7.599 6.083 13.835 120 H GLN 17 H GLN 17 -8.154 3.651 16.891 121 HA GLN 17 HA GLN 17 -10.333 3.585 17.463 122 HB2 GLN 17 2HB GLN 17 -10.049 5.616 18.861 123 HB3 GLN 17 1HB GLN 17 -10.287 6.624 17.442 124 HG2 GLN 17 2HG GLN 17 -12.321 6.547 18.780 125 HG3 GLN 17 1HG GLN 17 -12.544 5.774 17.205 126 HE21 GLN 17 1HE2 GLN 17 -12.179 5.179 20.652 127 HE22 GLN 17 2HE2 GLN 17 -12.806 3.593 20.631 128 H ARG 18 H ARG 18 -11.725 2.886 16.111 129 HA ARG 18 HA ARG 18 -11.453 3.901 13.436 130 HE ARG 18 HE ARG 18 -12.037 2.202 11.318 131 HB2 ARG 18 2HB ARG 18 -12.354 1.285 14.474 132 HB3 ARG 18 1HB ARG 18 -12.679 1.791 12.826 133 HG2 ARG 18 2HG ARG 18 -9.966 1.527 14.096 134 HG3 ARG 18 1HG ARG 18 -10.696 0.401 12.947 135 HD2 ARG 18 2HD ARG 18 -9.778 3.233 12.467 136 HD3 ARG 18 1HD ARG 18 -9.262 1.754 11.662 137 HH11 ARG 18 1HH1 ARG 18 -8.904 2.966 9.979 138 HH12 ARG 18 2HH1 ARG 18 -9.527 3.680 8.559 139 HH21 ARG 18 1HH2 ARG 18 -12.904 3.223 9.420 140 HH22 ARG 18 2HH2 ARG 18 -11.838 3.836 8.237 141 H LEU 19 H LEU 19 -12.944 4.314 12.066 142 HA LEU 19 HA LEU 19 -15.698 4.634 12.980 143 HG LEU 19 HG LEU 19 -13.406 7.008 12.819 144 HB2 LEU 19 2HB LEU 19 -14.206 6.060 10.749 145 HB3 LEU 19 1HB LEU 19 -15.869 6.354 11.209 146 HD11 LEU 19 1HD1 LEU 19 -13.822 8.510 10.953 147 HD12 LEU 19 2HD1 LEU 19 -14.066 9.307 12.500 148 HD13 LEU 19 3HD1 LEU 19 -15.462 8.793 11.540 149 HD21 LEU 19 3HD2 LEU 19 -16.310 7.429 13.522 150 HD22 LEU 19 1HD2 LEU 19 -14.929 8.057 14.419 151 HD23 LEU 19 2HD2 LEU 19 -15.189 6.318 14.318 152 HA PRO 20 HA PRO 20 -17.072 1.430 10.305 153 HB2 PRO 20 2HB PRO 20 -18.944 2.774 8.706 154 HB3 PRO 20 1HB PRO 20 -19.255 1.974 10.246 155 HG2 PRO 20 2HG PRO 20 -18.738 4.845 9.670 156 HG3 PRO 20 1HG PRO 20 -19.821 4.115 10.870 157 HD2 PRO 20 2HD PRO 20 -17.468 5.177 11.540 158 HD3 PRO 20 1HD PRO 20 -18.064 3.709 12.372 159 H VAL 21 H VAL 21 -16.751 0.509 8.513 160 HA VAL 21 HA VAL 21 -15.686 1.934 6.143 161 HB VAL 21 HB VAL 21 -14.512 -0.641 7.277 162 HG11 VAL 21 1HG1 VAL 21 -12.810 -0.427 5.545 163 HG12 VAL 21 2HG1 VAL 21 -13.651 0.982 4.896 164 HG13 VAL 21 3HG1 VAL 21 -14.425 -0.602 4.851 165 HG21 VAL 21 3HG2 VAL 21 -13.870 1.300 8.582 166 HG22 VAL 21 1HG2 VAL 21 -13.311 2.109 7.116 167 HG23 VAL 21 2HG2 VAL 21 -12.499 0.654 7.687 168 H SER 22 H SER 22 -16.439 1.163 4.212 169 HA SER 22 HA SER 22 -18.403 -0.973 4.339 170 HG SER 22 HG SER 22 -19.363 1.065 4.478 171 HB2 SER 22 2HB SER 22 -17.840 1.065 2.171 172 HB3 SER 22 1HB SER 22 -19.200 -0.062 2.210 173 H ARG 23 H ARG 23 -15.508 0.022 2.508 174 HA ARG 23 HA ARG 23 -15.300 -2.703 1.407 175 HE ARG 23 HE ARG 23 -12.873 -3.294 -2.646 176 HB2 ARG 23 2HB ARG 23 -15.807 -1.050 -0.321 177 HB3 ARG 23 1HB ARG 23 -14.460 -0.056 0.203 178 HG2 ARG 23 2HG ARG 23 -13.896 -1.226 -1.840 179 HG3 ARG 23 1HG ARG 23 -12.909 -1.839 -0.517 180 HD2 ARG 23 2HD ARG 23 -14.382 -3.767 -0.306 181 HD3 ARG 23 1HD ARG 23 -15.405 -3.131 -1.597 182 HH11 ARG 23 1HH1 ARG 23 -15.174 -5.600 -1.263 183 HH12 ARG 23 2HH1 ARG 23 -14.703 -6.879 -2.264 184 HH21 ARG 23 1HH2 ARG 23 -12.214 -5.045 -4.004 185 HH22 ARG 23 2HH2 ARG 23 -12.956 -6.561 -3.875 186 H ILE 24 H ILE 24 -13.368 -3.749 1.782 187 HA ILE 24 HA ILE 24 -11.493 -2.462 3.575 188 HB ILE 24 HB ILE 24 -11.544 -5.284 2.448 189 HG12 ILE 24 2HG1 ILE 24 -13.524 -4.836 3.808 190 HG13 ILE 24 1HG1 ILE 24 -12.456 -5.966 4.633 191 HG21 ILE 24 1HG2 ILE 24 -10.011 -5.859 4.280 192 HG22 ILE 24 2HG2 ILE 24 -9.914 -4.146 4.713 193 HG23 ILE 24 3HG2 ILE 24 -9.313 -4.694 3.152 194 HD11 ILE 24 3HD1 ILE 24 -12.758 -3.022 5.235 195 HD12 ILE 24 1HD1 ILE 24 -11.671 -4.133 6.063 196 HD13 ILE 24 2HD1 ILE 24 -13.415 -4.360 6.177 197 H LYS 25 H LYS 25 -9.432 -1.842 3.035 198 HA LYS 25 HA LYS 25 -8.680 -2.260 0.228 199 HB2 LYS 25 2HB LYS 25 -8.125 0.185 1.905 200 HB3 LYS 25 1HB LYS 25 -7.255 -0.173 0.430 201 HG2 LYS 25 2HG LYS 25 -8.936 1.370 -0.143 202 HG3 LYS 25 1HG LYS 25 -9.459 -0.197 -0.741 203 HD2 LYS 25 2HD LYS 25 -10.857 -0.416 1.309 204 HD3 LYS 25 1HD LYS 25 -10.435 1.253 1.699 205 HE2 LYS 25 2HE LYS 25 -11.765 0.278 -0.782 206 HE3 LYS 25 1HE LYS 25 -12.583 1.139 0.532 207 HZ1 LYS 25 3HZ LYS 25 -12.106 2.643 -1.282 208 HZ2 LYS 25 1HZ LYS 25 -10.496 2.192 -1.313 209 HZ3 LYS 25 2HZ LYS 25 -11.064 3.081 -0.023 210 H THR 26 H THR 26 -6.611 -2.500 -0.337 211 HA THR 26 HA THR 26 -4.593 -3.124 1.746 212 HB THR 26 HB THR 26 -5.202 -4.785 -0.727 213 HG1 THR 26 1HG THR 26 -6.252 -4.741 1.722 214 HG21 THR 26 3HG2 THR 26 -2.817 -4.802 -0.031 215 HG22 THR 26 1HG2 THR 26 -3.581 -6.369 0.244 216 HG23 THR 26 2HG2 THR 26 -3.315 -5.271 1.594 217 H TYR 27 H TYR 27 -2.794 -2.045 1.376 218 HA TYR 27 HA TYR 27 -2.232 -1.160 -1.360 219 HD1 TYR 27 2HD TYR 27 -2.297 1.538 -2.279 220 HD2 TYR 27 1HD TYR 27 -4.426 0.734 1.281 221 HE1 TYR 27 2HE TYR 27 -4.254 2.630 -3.243 222 HE2 TYR 27 1HE TYR 27 -6.408 1.826 0.377 223 HH TYR 27 HH TYR 27 -7.023 3.394 -1.308 224 HB2 TYR 27 2HB TYR 27 -2.060 0.464 1.152 225 HB3 TYR 27 1HB TYR 27 -1.168 0.883 -0.307 226 H THR 28 H THR 28 -0.304 -1.406 -2.068 227 HA THR 28 HA THR 28 1.679 -2.303 -0.136 228 HB THR 28 HB THR 28 2.794 -3.508 -2.058 229 HG1 THR 28 1HG THR 28 0.279 -3.062 -3.275 230 HG21 THR 28 3HG2 THR 28 1.259 -5.430 -2.001 231 HG22 THR 28 1HG2 THR 28 0.024 -4.397 -1.259 232 HG23 THR 28 2HG2 THR 28 1.546 -4.695 -0.420 233 H ILE 29 H ILE 29 3.600 -1.445 -0.113 234 HA ILE 29 HA ILE 29 4.369 0.447 -2.204 235 HB ILE 29 HB ILE 29 4.527 0.796 0.799 236 HG12 ILE 29 2HG1 ILE 29 3.392 2.580 -1.359 237 HG13 ILE 29 1HG1 ILE 29 2.454 1.466 -0.380 238 HG21 ILE 29 1HG2 ILE 29 5.942 2.482 -1.288 239 HG22 ILE 29 2HG2 ILE 29 6.714 1.422 -0.111 240 HG23 ILE 29 3HG2 ILE 29 5.845 2.848 0.436 241 HD11 ILE 29 3HD1 ILE 29 2.415 3.864 0.274 242 HD12 ILE 29 1HD1 ILE 29 4.092 3.684 0.790 243 HD13 ILE 29 2HD1 ILE 29 2.789 2.722 1.543 244 H THR 30 H THR 30 6.387 0.135 -2.949 245 HA THR 30 HA THR 30 8.063 -1.677 -1.415 246 HB THR 30 HB THR 30 7.346 -2.801 -3.466 247 HG1 THR 30 1HG THR 30 9.400 -3.248 -4.346 248 HG21 THR 30 3HG2 THR 30 8.555 -0.468 -4.928 249 HG22 THR 30 1HG2 THR 30 6.834 -0.835 -4.835 250 HG23 THR 30 2HG2 THR 30 7.919 -1.929 -5.700 251 H GLU 31 H GLU 31 9.849 -0.862 -0.763 252 HA GLU 31 HA GLU 31 10.927 1.520 -2.077 253 HB2 GLU 31 2HB GLU 31 9.824 2.260 -0.049 254 HB3 GLU 31 1HB GLU 31 10.650 1.035 0.896 255 HG2 GLU 31 2HG GLU 31 11.519 3.336 1.197 256 HG3 GLU 31 1HG GLU 31 12.727 2.172 0.671 257 H GLY 32 H GLY 32 12.553 0.665 -3.120 258 HA2 GLY 32 2HA GLY 32 14.691 -0.176 -3.344 259 HA3 GLY 32 1HA GLY 32 14.692 -0.552 -1.618 260 H SER 33 H SER 33 13.211 -2.302 -0.948 261 HA SER 33 HA SER 33 12.451 -4.208 -2.957 262 HG SER 33 HG SER 33 14.668 -3.987 -3.485 263 HB2 SER 33 2HB SER 33 14.642 -4.974 -1.026 264 HB3 SER 33 1HB SER 33 13.808 -6.097 -2.100 265 H LEU 34 H LEU 34 12.312 -3.191 0.454 266 HA LEU 34 HA LEU 34 10.820 -5.443 1.325 267 HG LEU 34 HG LEU 34 9.418 -2.135 2.431 268 HB2 LEU 34 2HB LEU 34 10.277 -4.282 3.382 269 HB3 LEU 34 1HB LEU 34 11.892 -3.750 2.967 270 HD11 LEU 34 1HD1 LEU 34 9.944 -0.980 4.529 271 HD12 LEU 34 2HD1 LEU 34 11.266 -2.111 4.815 272 HD13 LEU 34 3HD1 LEU 34 9.601 -2.680 4.813 273 HD21 LEU 34 3HD2 LEU 34 11.442 -1.513 1.194 274 HD22 LEU 34 1HD2 LEU 34 12.323 -1.427 2.720 275 HD23 LEU 34 2HD2 LEU 34 11.012 -0.297 2.397 276 H ARG 35 H ARG 35 8.703 -5.816 1.443 277 HA ARG 35 HA ARG 35 6.935 -3.991 -0.016 278 HE ARG 35 HE ARG 35 7.042 -6.639 -3.723 279 HB2 ARG 35 2HB ARG 35 6.605 -6.875 0.781 280 HB3 ARG 35 1HB ARG 35 5.300 -5.905 0.149 281 HG2 ARG 35 2HG ARG 35 7.864 -6.456 -1.305 282 HG3 ARG 35 1HG ARG 35 6.360 -7.365 -1.519 283 HD2 ARG 35 2HD ARG 35 5.271 -5.172 -2.092 284 HD3 ARG 35 1HD ARG 35 6.888 -4.468 -2.112 285 HH11 ARG 35 1HH1 ARG 35 5.112 -3.657 -3.679 286 HH12 ARG 35 2HH1 ARG 35 4.846 -3.633 -5.343 287 HH21 ARG 35 1HH2 ARG 35 6.585 -6.594 -6.107 288 HH22 ARG 35 2HH2 ARG 35 5.675 -5.281 -6.711 289 H ALA 36 H ALA 36 5.827 -2.631 1.158 290 HA ALA 36 HA ALA 36 5.037 -3.440 3.858 291 HB1 ALA 36 1HB ALA 36 4.726 -1.052 4.296 292 HB2 ALA 36 2HB ALA 36 5.185 -0.679 2.635 293 HB3 ALA 36 3HB ALA 36 6.368 -1.379 3.742 294 H VAL 37 H VAL 37 3.012 -3.930 4.153 295 HA VAL 37 HA VAL 37 1.005 -3.169 2.111 296 HB VAL 37 HB VAL 37 0.910 -5.493 4.061 297 HG11 VAL 37 1HG1 VAL 37 -1.079 -6.190 2.807 298 HG12 VAL 37 2HG1 VAL 37 -0.972 -4.722 1.835 299 HG13 VAL 37 3HG1 VAL 37 -1.307 -4.611 3.561 300 HG21 VAL 37 3HG2 VAL 37 1.184 -6.924 2.178 301 HG22 VAL 37 1HG2 VAL 37 2.525 -5.740 2.115 302 HG23 VAL 37 2HG2 VAL 37 1.062 -5.547 1.116 303 H ILE 38 H ILE 38 -0.671 -1.930 2.725 304 HA ILE 38 HA ILE 38 -1.154 -1.531 5.561 305 HB ILE 38 HB ILE 38 -1.423 0.271 3.156 306 HG12 ILE 38 2HG1 ILE 38 0.050 0.621 5.759 307 HG13 ILE 38 1HG1 ILE 38 0.773 0.105 4.240 308 HG21 ILE 38 1HG2 ILE 38 -3.443 0.543 4.485 309 HG22 ILE 38 2HG2 ILE 38 -2.399 1.960 4.563 310 HG23 ILE 38 3HG2 ILE 38 -2.460 0.833 5.929 311 HD11 ILE 38 3HD1 ILE 38 -0.656 2.715 4.596 312 HD12 ILE 38 1HD1 ILE 38 0.330 2.157 3.245 313 HD13 ILE 38 2HD1 ILE 38 1.078 2.504 4.831 314 H PHE 39 H PHE 39 -2.939 -2.500 6.182 315 HA PHE 39 HA PHE 39 -5.097 -3.036 4.259 316 HD1 PHE 39 1HD PHE 39 -5.571 -5.929 3.981 317 HD2 PHE 39 2HD PHE 39 -2.529 -5.151 6.846 318 HE1 PHE 39 1HE PHE 39 -4.279 -7.846 3.125 319 HE2 PHE 39 2HE PHE 39 -1.227 -7.057 5.997 320 HZ PHE 39 HZ PHE 39 -2.103 -8.409 4.133 321 HB2 PHE 39 2HB PHE 39 -4.642 -4.131 7.045 322 HB3 PHE 39 1HB PHE 39 -5.983 -4.547 6.000 323 H ILE 40 H ILE 40 -6.746 -1.747 4.319 324 HA ILE 40 HA ILE 40 -7.156 -0.072 6.695 325 HB ILE 40 HB ILE 40 -8.439 0.118 3.964 326 HG12 ILE 40 2HG1 ILE 40 -6.055 0.653 3.700 327 HG13 ILE 40 1HG1 ILE 40 -7.018 2.107 3.591 328 HG21 ILE 40 1HG2 ILE 40 -9.856 1.077 5.636 329 HG22 ILE 40 2HG2 ILE 40 -9.142 2.377 4.680 330 HG23 ILE 40 3HG2 ILE 40 -8.517 2.020 6.290 331 HD11 ILE 40 3HD1 ILE 40 -6.328 2.750 5.859 332 HD12 ILE 40 1HD1 ILE 40 -4.971 2.431 4.768 333 HD13 ILE 40 2HD1 ILE 40 -5.403 1.232 5.963 334 H THR 41 H THR 41 -8.545 -0.972 8.108 335 HA THR 41 HA THR 41 -10.952 -2.267 7.054 336 HB THR 41 HB THR 41 -10.871 -3.907 8.881 337 HG1 THR 41 1HG THR 41 -8.467 -3.830 9.830 338 HG21 THR 41 3HG2 THR 41 -8.246 -3.862 7.366 339 HG22 THR 41 1HG2 THR 41 -9.747 -4.581 6.798 340 HG23 THR 41 2HG2 THR 41 -8.921 -5.267 8.195 341 H LYS 42 H LYS 42 -12.510 -2.479 9.016 342 HA LYS 42 HA LYS 42 -12.664 0.130 10.323 343 HB2 LYS 42 2HB LYS 42 -14.919 -0.379 10.866 344 HB3 LYS 42 1HB LYS 42 -14.703 -1.082 9.274 345 HG2 LYS 42 2HG LYS 42 -14.610 -2.581 11.888 346 HG3 LYS 42 1HG LYS 42 -15.972 -2.536 10.775 347 HD2 LYS 42 2HD LYS 42 -14.746 -3.785 9.135 348 HD3 LYS 42 1HD LYS 42 -13.243 -3.564 10.035 349 HE2 LYS 42 2HE LYS 42 -14.124 -5.794 10.363 350 HE3 LYS 42 1HE LYS 42 -14.049 -4.846 11.836 351 HZ1 LYS 42 3HZ LYS 42 -16.542 -5.263 10.246 352 HZ2 LYS 42 1HZ LYS 42 -16.414 -4.448 11.710 353 HZ3 LYS 42 2HZ LYS 42 -16.132 -6.103 11.657 354 H ARG 43 H ARG 43 -11.149 -2.690 10.906 355 HA ARG 43 HA ARG 43 -11.746 -2.960 13.738 356 HE ARG 43 HE ARG 43 -11.138 -6.917 11.998 357 HB2 ARG 43 2HB ARG 43 -11.466 -4.940 12.275 358 HB3 ARG 43 1HB ARG 43 -9.808 -4.450 11.954 359 HG2 ARG 43 2HG ARG 43 -9.294 -4.724 14.336 360 HG3 ARG 43 1HG ARG 43 -10.955 -5.249 14.613 361 HD2 ARG 43 2HD ARG 43 -8.889 -6.614 12.896 362 HD3 ARG 43 1HD ARG 43 -9.517 -7.180 14.438 363 HH11 ARG 43 1HH1 ARG 43 -10.354 -8.644 14.984 364 HH12 ARG 43 2HH1 ARG 43 -11.413 -9.945 14.669 365 HH21 ARG 43 1HH2 ARG 43 -12.577 -8.763 11.557 366 HH22 ARG 43 2HH2 ARG 43 -12.677 -10.018 12.689 367 H GLY 44 H GLY 44 -9.380 -1.830 11.532 368 HA2 GLY 44 2HA GLY 44 -8.269 0.107 13.106 369 HA3 GLY 44 1HA GLY 44 -7.344 -1.337 13.484 370 H LEU 45 H LEU 45 -5.530 -0.202 12.637 371 HA LEU 45 HA LEU 45 -5.428 -0.257 9.729 372 HG LEU 45 HG LEU 45 -3.051 2.799 9.941 373 HB2 LEU 45 2HB LEU 45 -5.092 1.979 10.635 374 HB3 LEU 45 1HB LEU 45 -3.991 1.392 11.840 375 HD11 LEU 45 1HD1 LEU 45 -1.771 0.122 10.484 376 HD12 LEU 45 2HD1 LEU 45 -1.493 1.639 11.363 377 HD13 LEU 45 3HD1 LEU 45 -0.977 1.482 9.707 378 HD21 LEU 45 3HD2 LEU 45 -4.238 1.777 8.094 379 HD22 LEU 45 1HD2 LEU 45 -3.423 0.238 8.398 380 HD23 LEU 45 2HD2 LEU 45 -2.493 1.643 7.867 381 H LYS 46 H LYS 46 -4.285 -1.934 8.982 382 HA LYS 46 HA LYS 46 -2.292 -3.060 10.783 383 HB2 LYS 46 2HB LYS 46 -4.066 -4.669 10.744 384 HB3 LYS 46 1HB LYS 46 -4.151 -4.624 8.989 385 HG2 LYS 46 2HG LYS 46 -1.966 -5.652 8.807 386 HG3 LYS 46 1HG LYS 46 -1.755 -5.580 10.551 387 HD2 LYS 46 2HD LYS 46 -3.402 -7.081 10.924 388 HD3 LYS 46 1HD LYS 46 -3.973 -7.118 9.222 389 HE2 LYS 46 2HE LYS 46 -1.705 -8.059 8.652 390 HE3 LYS 46 1HE LYS 46 -1.343 -8.093 10.376 391 HZ1 LYS 46 3HZ LYS 46 -3.503 -9.594 9.023 392 HZ2 LYS 46 1HZ LYS 46 -3.212 -9.629 10.670 393 HZ3 LYS 46 2HZ LYS 46 -2.074 -10.266 9.596 394 H VAL 47 H VAL 47 -0.473 -3.704 10.033 395 HA VAL 47 HA VAL 47 0.096 -3.145 7.222 396 HB VAL 47 HB VAL 47 2.145 -2.003 7.731 397 HG11 VAL 47 1HG1 VAL 47 0.165 -0.662 7.490 398 HG12 VAL 47 2HG1 VAL 47 1.191 0.096 8.697 399 HG13 VAL 47 3HG1 VAL 47 -0.200 -0.858 9.196 400 HG21 VAL 47 3HG2 VAL 47 2.771 -1.384 10.049 401 HG22 VAL 47 1HG2 VAL 47 2.761 -3.122 9.802 402 HG23 VAL 47 2HG2 VAL 47 1.424 -2.356 10.657 403 H CYS 48 H CYS 48 1.527 -4.403 6.286 404 HA CYS 48 HA CYS 48 2.890 -6.379 7.968 405 HB2 CYS 48 2HB CYS 48 1.572 -6.854 5.301 406 HB3 CYS 48 1HB CYS 48 2.818 -7.914 5.935 407 H ALA 49 H ALA 49 4.958 -6.716 7.655 408 HA ALA 49 HA ALA 49 6.222 -5.199 5.481 409 HB1 ALA 49 1HB ALA 49 7.310 -5.847 8.209 410 HB2 ALA 49 2HB ALA 49 6.638 -4.296 7.726 411 HB3 ALA 49 3HB ALA 49 8.126 -4.886 6.969 412 H ASP 50 H ASP 50 7.267 -6.398 4.079 413 HA ASP 50 HA ASP 50 7.920 -9.183 4.797 414 HB2 ASP 50 2HB ASP 50 6.101 -8.806 3.058 415 HB3 ASP 50 1HB ASP 50 7.339 -8.050 2.066 416 HA PRO 51 HA PRO 51 12.293 -7.952 4.420 417 HB2 PRO 51 2HB PRO 51 12.429 -10.806 3.593 418 HB3 PRO 51 1HB PRO 51 13.423 -9.930 4.756 419 HG2 PRO 51 2HG PRO 51 11.556 -11.553 5.645 420 HG3 PRO 51 1HG PRO 51 11.738 -9.952 6.390 421 HD2 PRO 51 2HD PRO 51 9.680 -10.912 4.448 422 HD3 PRO 51 1HD PRO 51 9.510 -9.840 5.856 423 H GLN 52 H GLN 52 13.664 -7.424 2.899 424 HA GLN 52 HA GLN 52 13.037 -7.021 0.266 425 HB2 GLN 52 2HB GLN 52 15.833 -7.512 1.321 426 HB3 GLN 52 1HB GLN 52 15.423 -6.713 -0.173 427 HG2 GLN 52 2HG GLN 52 16.066 -5.029 1.412 428 HG3 GLN 52 1HG GLN 52 14.323 -4.917 1.202 429 HE21 GLN 52 1HE2 GLN 52 15.842 -7.451 3.123 430 HE22 GLN 52 2HE2 GLN 52 15.260 -6.851 4.617 431 H ALA 53 H ALA 53 12.371 -8.619 -1.005 432 HA ALA 53 HA ALA 53 14.012 -11.002 -1.226 433 HB1 ALA 53 1HB ALA 53 11.592 -11.387 -1.068 434 HB2 ALA 53 2HB ALA 53 12.160 -11.823 -2.677 435 HB3 ALA 53 3HB ALA 53 11.317 -10.296 -2.425 436 H THR 54 H THR 54 14.997 -11.425 -3.264 437 HA THR 54 HA THR 54 15.605 -9.062 -4.726 438 HB THR 54 HB THR 54 16.307 -11.925 -5.481 439 HG1 THR 54 1HG THR 54 17.517 -11.775 -3.758 440 HG21 THR 54 3HG2 THR 54 16.596 -10.287 -7.304 441 HG22 THR 54 1HG2 THR 54 18.158 -10.860 -6.725 442 HG23 THR 54 2HG2 THR 54 17.564 -9.270 -6.241 443 H TRP 55 H TRP 55 13.615 -8.363 -5.393 444 HA TRP 55 HA TRP 55 12.723 -9.200 -7.918 445 HD1 TRP 55 HD TRP 55 11.236 -10.437 -9.160 446 HE1 TRP 55 1HE TRP 55 8.894 -10.404 -10.318 447 HE3 TRP 55 3HE TRP 55 8.452 -9.071 -5.169 448 HZ2 TRP 55 2HZ TRP 55 6.221 -9.847 -9.551 449 HZ3 TRP 55 3HZ TRP 55 6.023 -8.800 -5.422 450 HH2 TRP 55 HH TRP 55 4.930 -9.178 -7.570 451 HB2 TRP 55 2HB TRP 55 11.583 -10.798 -6.290 452 HB3 TRP 55 1HB TRP 55 10.836 -9.392 -5.544 453 H VAL 56 H VAL 56 11.438 -7.472 -8.737 454 HA VAL 56 HA VAL 56 10.783 -5.373 -9.047 455 HB VAL 56 HB VAL 56 10.976 -4.963 -6.039 456 HG11 VAL 56 1HG1 VAL 56 9.640 -3.250 -8.145 457 HG12 VAL 56 2HG1 VAL 56 11.118 -2.856 -7.270 458 HG13 VAL 56 3HG1 VAL 56 9.589 -2.975 -6.402 459 HG21 VAL 56 3HG2 VAL 56 8.585 -5.526 -7.782 460 HG22 VAL 56 1HG2 VAL 56 8.537 -5.177 -6.053 461 HG23 VAL 56 2HG2 VAL 56 9.321 -6.646 -6.637 462 H ARG 57 H ARG 57 12.419 -4.821 -10.221 463 HA ARG 57 HA ARG 57 14.942 -3.993 -9.116 464 HE ARG 57 HE ARG 57 18.338 -2.690 -11.891 465 HB2 ARG 57 2HB ARG 57 14.679 -5.112 -11.354 466 HB3 ARG 57 1HB ARG 57 13.840 -3.682 -11.924 467 HG2 ARG 57 2HG ARG 57 16.111 -3.649 -12.714 468 HG3 ARG 57 1HG ARG 57 15.893 -2.366 -11.526 469 HD2 ARG 57 2HD ARG 57 16.944 -3.732 -9.815 470 HD3 ARG 57 1HD ARG 57 17.093 -5.073 -10.955 471 HH11 ARG 57 1HH1 ARG 57 18.817 -5.456 -9.759 472 HH12 ARG 57 2HH1 ARG 57 20.511 -5.434 -9.864 473 HH21 ARG 57 1HH2 ARG 57 20.650 -2.631 -12.043 474 HH22 ARG 57 2HH2 ARG 57 21.597 -3.760 -11.205 475 H ASP 58 H ASP 58 12.203 -2.557 -10.762 476 HA ASP 58 HA ASP 58 11.251 -0.583 -10.862 477 HB2 ASP 58 2HB ASP 58 11.013 -0.758 -8.436 478 HB3 ASP 58 1HB ASP 58 12.617 -0.089 -8.208 479 H VAL 59 H VAL 59 13.981 0.896 -9.287 480 HA VAL 59 HA VAL 59 15.185 2.722 -9.905 481 HB VAL 59 HB VAL 59 15.890 0.886 -12.222 482 HG11 VAL 59 1HG1 VAL 59 16.664 3.182 -12.612 483 HG12 VAL 59 2HG1 VAL 59 18.020 2.094 -12.308 484 HG13 VAL 59 3HG1 VAL 59 17.455 3.180 -11.040 485 HG21 VAL 59 3HG2 VAL 59 17.134 1.187 -9.489 486 HG22 VAL 59 1HG2 VAL 59 17.756 0.170 -10.787 487 HG23 VAL 59 2HG2 VAL 59 16.192 -0.190 -10.061 488 H VAL 60 H VAL 60 13.527 4.191 -10.236 489 HA VAL 60 HA VAL 60 13.138 4.957 -13.055 490 HB VAL 60 HB VAL 60 11.063 5.213 -10.854 491 HG11 VAL 60 1HG1 VAL 60 10.946 7.024 -12.469 492 HG12 VAL 60 2HG1 VAL 60 9.558 5.948 -12.650 493 HG13 VAL 60 3HG1 VAL 60 10.895 5.863 -13.795 494 HG21 VAL 60 3HG2 VAL 60 9.756 3.550 -12.112 495 HG22 VAL 60 1HG2 VAL 60 11.292 2.883 -11.557 496 HG23 VAL 60 2HG2 VAL 60 11.099 3.360 -13.243 497 HA VAL 1 HA VAL 1 -11.558 10.370 30.564 498 HB VAL 1 HB VAL 1 -11.982 8.808 28.690 499 H1 VAL 1 H VAL 1 -9.281 11.467 29.184 500 HG11 VAL 1 1HG1 VAL 1 -13.348 10.809 28.876 501 HG12 VAL 1 2HG1 VAL 1 -13.091 10.400 27.181 502 HG13 VAL 1 3HG1 VAL 1 -12.179 11.717 27.918 503 HG21 VAL 1 3HG2 VAL 1 -11.028 9.256 26.460 504 HG22 VAL 1 1HG2 VAL 1 -9.776 8.860 27.639 505 HG23 VAL 1 2HG2 VAL 1 -10.032 10.536 27.151 506 H GLY 2 H GLY 2 -11.241 7.851 30.489 507 HA2 GLY 2 2HA GLY 2 -8.456 7.068 30.451 508 HA3 GLY 2 1HA GLY 2 -9.315 6.914 31.984 509 H SER 3 H SER 3 -8.205 4.805 30.325 510 HA SER 3 HA SER 3 -8.670 2.693 29.783 511 HG SER 3 HG SER 3 -11.743 1.453 29.525 512 HB2 SER 3 2HB SER 3 -10.330 2.624 31.628 513 HB3 SER 3 1HB SER 3 -11.548 3.311 30.555 514 H GLU 4 H GLU 4 -11.032 4.967 28.558 515 HA GLU 4 HA GLU 4 -11.227 3.525 26.040 516 HB2 GLU 4 2HB GLU 4 -13.017 5.107 25.552 517 HB3 GLU 4 1HB GLU 4 -13.268 4.338 27.107 518 HG2 GLU 4 2HG GLU 4 -12.423 6.316 28.247 519 HG3 GLU 4 1HG GLU 4 -12.140 7.097 26.692 520 H VAL 5 H VAL 5 -10.898 4.707 24.013 521 HA VAL 5 HA VAL 5 -9.159 7.042 24.210 522 HB VAL 5 HB VAL 5 -7.651 6.086 22.447 523 HG11 VAL 5 1HG1 VAL 5 -7.793 4.453 24.984 524 HG12 VAL 5 2HG1 VAL 5 -6.960 5.994 24.791 525 HG13 VAL 5 3HG1 VAL 5 -6.396 4.569 23.917 526 HG21 VAL 5 3HG2 VAL 5 -9.163 4.422 21.499 527 HG22 VAL 5 1HG2 VAL 5 -9.135 3.517 23.014 528 HG23 VAL 5 2HG2 VAL 5 -7.670 3.657 22.049 529 H SER 6 H SER 6 -9.233 8.404 22.368 530 HA SER 6 HA SER 6 -10.842 7.571 20.119 531 HG SER 6 HG SER 6 -12.340 7.465 21.875 532 HB2 SER 6 2HB SER 6 -11.593 9.975 21.798 533 HB3 SER 6 1HB SER 6 -12.292 9.575 20.228 534 H ASP 7 H ASP 7 -9.798 8.127 18.370 535 HA ASP 7 HA ASP 7 -8.629 9.224 16.828 536 HB2 ASP 7 2HB ASP 7 -9.297 11.640 18.507 537 HB3 ASP 7 1HB ASP 7 -8.477 11.734 16.956 538 H LYS 8 H LYS 8 -7.279 8.182 19.257 539 HA LYS 8 HA LYS 8 -4.954 9.923 19.365 540 HB2 LYS 8 2HB LYS 8 -5.439 7.298 20.808 541 HB3 LYS 8 1HB LYS 8 -4.118 8.418 21.095 542 HG2 LYS 8 2HG LYS 8 -5.707 10.124 21.828 543 HG3 LYS 8 1HG LYS 8 -7.035 9.001 21.551 544 HD2 LYS 8 2HD LYS 8 -6.498 9.050 23.904 545 HD3 LYS 8 1HD LYS 8 -6.039 7.483 23.241 546 HE2 LYS 8 2HE LYS 8 -3.718 8.191 23.147 547 HE3 LYS 8 1HE LYS 8 -4.166 9.798 23.719 548 HZ1 LYS 8 3HZ LYS 8 -3.332 8.508 25.527 549 HZ2 LYS 8 1HZ LYS 8 -4.439 7.257 25.249 550 HZ3 LYS 8 2HZ LYS 8 -4.959 8.785 25.756 551 H ARG 9 H ARG 9 -3.683 9.769 17.728 552 HA ARG 9 HA ARG 9 -3.585 7.587 15.974 553 HE ARG 9 HE ARG 9 -0.107 12.476 16.560 554 HB2 ARG 9 2HB ARG 9 -1.714 8.801 14.890 555 HB3 ARG 9 1HB ARG 9 -3.186 9.717 15.070 556 HG2 ARG 9 2HG ARG 9 -2.140 10.824 17.056 557 HG3 ARG 9 1HG ARG 9 -0.642 9.993 16.609 558 HD2 ARG 9 2HD ARG 9 -0.636 11.010 14.449 559 HD3 ARG 9 1HD ARG 9 -2.219 11.723 14.741 560 HH11 ARG 9 1HH1 ARG 9 -2.027 13.327 13.659 561 HH12 ARG 9 2HH1 ARG 9 -1.595 14.968 13.707 562 HH21 ARG 9 1HH2 ARG 9 0.461 14.773 16.569 563 HH22 ARG 9 2HH2 ARG 9 -0.171 15.804 15.356 564 H THR 10 H THR 10 -2.581 5.773 15.995 565 HA THR 10 HA THR 10 -0.497 5.407 17.930 566 HB THR 10 HB THR 10 -1.070 2.962 17.491 567 HG1 THR 10 1HG THR 10 -3.599 3.374 16.912 568 HG21 THR 10 3HG2 THR 10 -2.977 3.032 19.048 569 HG22 THR 10 1HG2 THR 10 -3.164 4.754 18.729 570 HG23 THR 10 2HG2 THR 10 -1.716 4.164 19.539 571 H CYS 11 H CYS 11 1.342 4.245 17.356 572 HA CYS 11 HA CYS 11 1.863 3.835 14.516 573 HB2 CYS 11 2HB CYS 11 3.744 5.219 16.468 574 HB3 CYS 11 1HB CYS 11 4.085 4.844 14.794 575 H VAL 12 H VAL 12 3.373 2.137 14.312 576 HA VAL 12 HA VAL 12 4.486 1.015 16.778 577 HB VAL 12 HB VAL 12 2.943 -0.780 14.840 578 HG11 VAL 12 1HG1 VAL 12 4.369 -1.441 17.412 579 HG12 VAL 12 2HG1 VAL 12 4.888 -1.886 15.791 580 HG13 VAL 12 3HG1 VAL 12 3.430 -2.592 16.487 581 HG21 VAL 12 3HG2 VAL 12 1.385 -1.199 16.715 582 HG22 VAL 12 1HG2 VAL 12 1.405 0.508 16.272 583 HG23 VAL 12 2HG2 VAL 12 2.275 -0.043 17.699 584 H SER 13 H SER 13 6.398 -0.069 16.523 585 HA SER 13 HA SER 13 7.556 0.056 13.846 586 HG SER 13 HG SER 13 10.468 -0.661 15.314 587 HB2 SER 13 2HB SER 13 8.670 1.399 15.650 588 HB3 SER 13 1HB SER 13 8.899 -0.095 16.558 589 H LEU 14 H LEU 14 7.838 -1.841 12.904 590 HA LEU 14 HA LEU 14 8.116 -4.211 14.551 591 HG LEU 14 HG LEU 14 7.000 -3.435 10.933 592 HB2 LEU 14 2HB LEU 14 7.167 -5.472 12.473 593 HB3 LEU 14 1HB LEU 14 6.041 -4.660 13.538 594 HD11 LEU 14 1HD1 LEU 14 4.906 -4.283 9.978 595 HD12 LEU 14 2HD1 LEU 14 4.574 -5.156 11.478 596 HD13 LEU 14 3HD1 LEU 14 5.968 -5.591 10.490 597 HD21 LEU 14 3HD2 LEU 14 4.931 -2.146 11.140 598 HD22 LEU 14 1HD2 LEU 14 5.953 -1.911 12.560 599 HD23 LEU 14 2HD2 LEU 14 4.552 -2.980 12.648 600 H THR 15 H THR 15 9.899 -5.250 14.331 601 HA THR 15 HA THR 15 11.568 -4.400 12.135 602 HB THR 15 HB THR 15 12.546 -3.663 14.175 603 HG1 THR 15 1HG THR 15 14.200 -4.289 13.016 604 HG21 THR 15 3HG2 THR 15 11.412 -5.090 15.768 605 HG22 THR 15 1HG2 THR 15 13.155 -5.204 16.019 606 HG23 THR 15 2HG2 THR 15 12.299 -6.497 15.175 607 H THR 16 H THR 16 12.310 -5.754 10.797 608 HA THR 16 HA THR 16 12.381 -8.578 11.344 609 HB THR 16 HB THR 16 10.132 -8.206 10.342 610 HG1 THR 16 1HG THR 16 10.469 -10.031 9.435 611 HG21 THR 16 3HG2 THR 16 9.902 -7.369 8.026 612 HG22 THR 16 1HG2 THR 16 11.630 -7.026 7.984 613 HG23 THR 16 2HG2 THR 16 10.583 -6.138 9.092 614 H GLN 17 H GLN 17 12.973 -9.155 8.643 615 HA GLN 17 HA GLN 17 15.765 -8.496 8.629 616 HB2 GLN 17 2HB GLN 17 15.063 -10.680 7.888 617 HB3 GLN 17 1HB GLN 17 14.083 -9.988 6.596 618 HG2 GLN 17 2HG GLN 17 16.107 -10.934 5.736 619 HG3 GLN 17 1HG GLN 17 16.184 -9.179 5.572 620 HE21 GLN 17 1HE2 GLN 17 17.366 -11.951 7.266 621 HE22 GLN 17 2HE2 GLN 17 18.756 -11.180 7.951 622 H ARG 18 H ARG 18 16.191 -6.497 8.212 623 HA ARG 18 HA ARG 18 15.164 -5.318 5.750 624 HE ARG 18 HE ARG 18 13.900 -3.520 4.591 625 HB2 ARG 18 2HB ARG 18 15.672 -4.189 8.424 626 HB3 ARG 18 1HB ARG 18 15.609 -3.156 6.958 627 HG2 ARG 18 2HG ARG 18 13.415 -4.795 8.262 628 HG3 ARG 18 1HG ARG 18 13.554 -3.038 8.239 629 HD2 ARG 18 2HD ARG 18 12.880 -4.899 5.981 630 HD3 ARG 18 1HD ARG 18 11.940 -3.548 6.604 631 HH11 ARG 18 1HH1 ARG 18 12.656 -1.376 7.161 632 HH12 ARG 18 2HH1 ARG 18 13.285 0.008 6.442 633 HH21 ARG 18 1HH2 ARG 18 14.624 -1.526 3.581 634 HH22 ARG 18 2HH2 ARG 18 14.365 -0.048 4.368 635 H LEU 19 H LEU 19 16.693 -4.435 4.491 636 HA LEU 19 HA LEU 19 19.448 -4.856 5.279 637 HG LEU 19 HG LEU 19 17.485 -5.925 2.765 638 HB2 LEU 19 2HB LEU 19 18.349 -3.710 2.701 639 HB3 LEU 19 1HB LEU 19 19.983 -4.272 2.977 640 HD11 LEU 19 1HD1 LEU 19 19.949 -5.824 1.057 641 HD12 LEU 19 2HD1 LEU 19 18.340 -5.214 0.652 642 HD13 LEU 19 3HD1 LEU 19 18.593 -6.945 0.861 643 HD21 LEU 19 3HD2 LEU 19 20.271 -6.874 3.469 644 HD22 LEU 19 1HD2 LEU 19 18.886 -7.906 3.072 645 HD23 LEU 19 2HD2 LEU 19 18.837 -6.895 4.506 646 HA PRO 20 HA PRO 20 19.872 -0.789 6.957 647 HB2 PRO 20 2HB PRO 20 22.482 -0.784 5.513 648 HB3 PRO 20 1HB PRO 20 22.135 -0.386 7.202 649 HG2 PRO 20 2HG PRO 20 23.218 -2.724 6.572 650 HG3 PRO 20 1HG PRO 20 21.977 -2.613 7.831 651 HD2 PRO 20 2HD PRO 20 21.748 -3.632 5.037 652 HD3 PRO 20 1HD PRO 20 20.924 -4.158 6.529 653 H VAL 21 H VAL 21 19.273 1.098 6.318 654 HA VAL 21 HA VAL 21 19.630 1.973 3.543 655 HB VAL 21 HB VAL 21 17.123 2.371 5.247 656 HG11 VAL 21 1HG1 VAL 21 17.680 3.112 2.392 657 HG12 VAL 21 2HG1 VAL 21 17.524 4.230 3.746 658 HG13 VAL 21 3HG1 VAL 21 16.127 3.288 3.209 659 HG21 VAL 21 3HG2 VAL 21 15.975 0.919 3.636 660 HG22 VAL 21 1HG2 VAL 21 17.271 0.065 4.476 661 HG23 VAL 21 2HG2 VAL 21 17.510 0.620 2.821 662 H SER 22 H SER 22 20.276 4.129 3.421 663 HA SER 22 HA SER 22 21.098 5.224 5.965 664 HG SER 22 HG SER 22 22.728 4.153 4.865 665 HB2 SER 22 2HB SER 22 21.743 6.093 3.154 666 HB3 SER 22 1HB SER 22 22.512 6.682 4.634 667 H ARG 23 H ARG 23 18.644 5.756 3.632 668 HA ARG 23 HA ARG 23 18.094 8.419 4.757 669 HE ARG 23 HE ARG 23 20.470 9.407 0.379 670 HB2 ARG 23 2HB ARG 23 17.198 7.237 2.154 671 HB3 ARG 23 1HB ARG 23 16.787 8.837 2.750 672 HG2 ARG 23 2HG ARG 23 19.185 9.421 2.704 673 HG3 ARG 23 1HG ARG 23 19.521 7.836 1.996 674 HD2 ARG 23 2HD ARG 23 17.953 8.357 0.196 675 HD3 ARG 23 1HD ARG 23 17.747 9.953 0.933 676 HH11 ARG 23 1HH1 ARG 23 17.492 10.492 -1.155 677 HH12 ARG 23 2HH1 ARG 23 18.252 11.288 -2.446 678 HH21 ARG 23 1HH2 ARG 23 21.545 10.504 -1.379 679 HH22 ARG 23 2HH2 ARG 23 20.643 11.290 -2.582 680 H ILE 24 H ILE 24 16.117 8.774 5.703 681 HA ILE 24 HA ILE 24 14.428 6.450 6.156 682 HB ILE 24 HB ILE 24 14.248 9.268 7.274 683 HG12 ILE 24 2HG1 ILE 24 16.278 8.109 8.030 684 HG13 ILE 24 1HG1 ILE 24 15.151 8.334 9.361 685 HG21 ILE 24 1HG2 ILE 24 12.750 6.784 8.106 686 HG22 ILE 24 2HG2 ILE 24 12.072 8.196 7.294 687 HG23 ILE 24 3HG2 ILE 24 12.694 8.341 8.936 688 HD11 ILE 24 3HD1 ILE 24 15.623 5.779 7.829 689 HD12 ILE 24 1HD1 ILE 24 14.461 5.992 9.135 690 HD13 ILE 24 2HD1 ILE 24 16.188 6.153 9.460 691 H LYS 25 H LYS 25 12.762 6.076 4.855 692 HA LYS 25 HA LYS 25 11.708 8.325 3.321 693 HB2 LYS 25 2HB LYS 25 11.447 5.375 2.780 694 HB3 LYS 25 1HB LYS 25 10.391 6.551 2.027 695 HG2 LYS 25 2HG LYS 25 12.120 6.029 0.510 696 HG3 LYS 25 1HG LYS 25 12.395 7.666 1.093 697 HD2 LYS 25 2HD LYS 25 14.074 6.719 2.673 698 HD3 LYS 25 1HD LYS 25 13.841 5.151 1.895 699 HE2 LYS 25 2HE LYS 25 14.756 7.688 0.596 700 HE3 LYS 25 1HE LYS 25 15.769 6.279 0.929 701 HZ1 LYS 25 3HZ LYS 25 15.117 6.253 -1.400 702 HZ2 LYS 25 1HZ LYS 25 13.509 6.461 -1.002 703 HZ3 LYS 25 2HZ LYS 25 14.241 5.022 -0.661 704 H THR 26 H THR 26 9.560 8.694 3.024 705 HA THR 26 HA THR 26 7.740 7.693 5.119 706 HB THR 26 HB THR 26 8.077 10.550 4.154 707 HG1 THR 26 1HG THR 26 9.379 9.147 6.008 708 HG21 THR 26 3HG2 THR 26 6.360 9.388 6.359 709 HG22 THR 26 1HG2 THR 26 5.766 9.981 4.806 710 HG23 THR 26 2HG2 THR 26 6.503 11.100 5.955 711 H TYR 27 H TYR 27 5.897 6.960 4.254 712 HA TYR 27 HA TYR 27 5.068 7.973 1.666 713 HD1 TYR 27 2HD TYR 27 4.966 6.470 -0.814 714 HD2 TYR 27 1HD TYR 27 7.683 5.129 2.137 715 HE1 TYR 27 2HE TYR 27 6.713 6.502 -2.475 716 HE2 TYR 27 1HE TYR 27 9.500 5.128 0.499 717 HH TYR 27 HH TYR 27 9.856 5.081 -1.831 718 HB2 TYR 27 2HB TYR 27 5.277 5.087 2.488 719 HB3 TYR 27 1HB TYR 27 4.177 5.643 1.221 720 H THR 28 H THR 28 3.124 8.583 1.646 721 HA THR 28 HA THR 28 1.602 7.819 3.998 722 HB THR 28 HB THR 28 1.430 10.543 2.696 723 HG1 THR 28 1HG THR 28 3.264 9.411 4.272 724 HG21 THR 28 3HG2 THR 28 0.516 9.400 5.301 725 HG22 THR 28 1HG2 THR 28 -0.546 9.814 3.952 726 HG23 THR 28 2HG2 THR 28 0.323 11.102 4.819 727 H ILE 29 H ILE 29 -0.207 6.812 3.629 728 HA ILE 29 HA ILE 29 -1.584 7.252 1.079 729 HB ILE 29 HB ILE 29 -1.452 4.778 2.803 730 HG12 ILE 29 2HG1 ILE 29 -0.521 5.333 -0.018 731 HG13 ILE 29 1HG1 ILE 29 0.499 5.137 1.401 732 HG21 ILE 29 1HG2 ILE 29 -2.921 3.668 1.170 733 HG22 ILE 29 2HG2 ILE 29 -3.118 5.191 0.297 734 HG23 ILE 29 3HG2 ILE 29 -3.736 5.011 1.941 735 HD11 ILE 29 3HD1 ILE 29 0.532 3.156 0.074 736 HD12 ILE 29 1HD1 ILE 29 -1.237 3.068 0.124 737 HD13 ILE 29 2HD1 ILE 29 -0.307 2.832 1.601 738 H THR 30 H THR 30 -3.459 8.249 1.280 739 HA THR 30 HA THR 30 -4.825 8.075 3.856 740 HB THR 30 HB THR 30 -4.277 10.395 3.117 741 HG1 THR 30 1HG THR 30 -6.373 9.707 4.194 742 HG21 THR 30 3HG2 THR 30 -6.111 9.815 0.780 743 HG22 THR 30 1HG2 THR 30 -4.372 10.088 0.681 744 HG23 THR 30 2HG2 THR 30 -5.444 11.397 1.187 745 H GLU 31 H GLU 31 -6.665 6.984 3.925 746 HA GLU 31 HA GLU 31 -8.022 6.391 1.423 747 HB2 GLU 31 2HB GLU 31 -6.490 4.537 1.805 748 HB3 GLU 31 1HB GLU 31 -7.102 4.343 3.440 749 HG2 GLU 31 2HG GLU 31 -7.939 2.674 1.819 750 HG3 GLU 31 1HG GLU 31 -9.200 3.589 2.641 751 H GLY 32 H GLY 32 -10.054 6.927 1.680 752 HA2 GLY 32 2HA GLY 32 -12.118 7.133 2.694 753 HA3 GLY 32 1HA GLY 32 -11.489 6.229 4.065 754 H SER 33 H SER 33 -10.107 7.329 5.540 755 HA SER 33 HA SER 33 -9.971 10.197 5.469 756 HG SER 33 HG SER 33 -12.158 10.177 5.280 757 HB2 SER 33 2HB SER 33 -11.642 8.887 7.607 758 HB3 SER 33 1HB SER 33 -11.175 10.593 7.612 759 H LEU 34 H LEU 34 -8.819 7.179 6.776 760 HA LEU 34 HA LEU 34 -7.142 8.473 8.728 761 HG LEU 34 HG LEU 34 -5.924 5.264 7.072 762 HB2 LEU 34 2HB LEU 34 -6.190 6.287 9.279 763 HB3 LEU 34 1HB LEU 34 -7.927 6.096 9.158 764 HD11 LEU 34 1HD1 LEU 34 -6.343 2.997 7.926 765 HD12 LEU 34 2HD1 LEU 34 -7.339 3.677 9.210 766 HD13 LEU 34 3HD1 LEU 34 -5.614 4.035 9.153 767 HD21 LEU 34 3HD2 LEU 34 -8.116 5.647 6.173 768 HD22 LEU 34 1HD2 LEU 34 -8.853 4.673 7.437 769 HD23 LEU 34 2HD2 LEU 34 -7.809 3.927 6.224 770 H ARG 35 H ARG 35 -5.000 8.834 8.614 771 HA ARG 35 HA ARG 35 -3.761 8.718 5.934 772 HE ARG 35 HE ARG 35 -5.267 13.247 6.674 773 HB2 ARG 35 2HB ARG 35 -2.676 10.035 8.434 774 HB3 ARG 35 1HB ARG 35 -2.134 10.245 6.790 775 HG2 ARG 35 2HG ARG 35 -4.833 11.057 7.731 776 HG3 ARG 35 1HG ARG 35 -3.446 12.160 7.754 777 HD2 ARG 35 2HD ARG 35 -3.312 11.759 5.268 778 HD3 ARG 35 1HD ARG 35 -4.840 10.882 5.402 779 HH11 ARG 35 1HH1 ARG 35 -4.426 12.370 3.344 780 HH12 ARG 35 2HH1 ARG 35 -5.129 13.764 2.680 781 HH21 ARG 35 1HH2 ARG 35 -6.136 15.133 5.771 782 HH22 ARG 35 2HH2 ARG 35 -6.096 15.391 4.078 783 H ALA 36 H ALA 36 -2.501 6.895 5.647 784 HA ALA 36 HA ALA 36 -1.276 5.724 8.024 785 HB1 ALA 36 1HB ALA 36 -2.704 4.226 6.715 786 HB2 ALA 36 2HB ALA 36 -1.021 3.709 6.646 787 HB3 ALA 36 3HB ALA 36 -1.741 4.563 5.278 788 H VAL 37 H VAL 37 0.739 6.274 8.339 789 HA VAL 37 HA VAL 37 2.385 7.069 6.037 790 HB VAL 37 HB VAL 37 2.737 7.789 8.965 791 HG11 VAL 37 1HG1 VAL 37 4.513 9.282 8.171 792 HG12 VAL 37 2HG1 VAL 37 4.290 8.660 6.535 793 HG13 VAL 37 3HG1 VAL 37 4.876 7.593 7.812 794 HG21 VAL 37 3HG2 VAL 37 0.865 8.956 7.867 795 HG22 VAL 37 1HG2 VAL 37 1.993 9.484 6.615 796 HG23 VAL 37 2HG2 VAL 37 2.204 10.051 8.270 797 H ILE 38 H ILE 38 3.962 5.729 5.452 798 HA ILE 38 HA ILE 38 4.880 3.692 7.285 799 HB ILE 38 HB ILE 38 4.971 4.078 4.310 800 HG12 ILE 38 2HG1 ILE 38 3.605 2.035 6.030 801 HG13 ILE 38 1HG1 ILE 38 2.858 3.365 5.143 802 HG21 ILE 38 1HG2 ILE 38 6.181 1.786 5.830 803 HG22 ILE 38 2HG2 ILE 38 7.068 3.064 4.963 804 HG23 ILE 38 3HG2 ILE 38 6.009 1.975 4.072 805 HD11 ILE 38 3HD1 ILE 38 3.627 2.426 3.099 806 HD12 ILE 38 1HD1 ILE 38 2.562 1.290 3.941 807 HD13 ILE 38 2HD1 ILE 38 4.314 1.032 3.959 808 H PHE 39 H PHE 39 6.769 4.039 8.211 809 HA PHE 39 HA PHE 39 8.664 5.906 6.993 810 HD1 PHE 39 1HD PHE 39 9.176 8.217 8.670 811 HD2 PHE 39 2HD PHE 39 6.425 5.554 10.525 812 HE1 PHE 39 1HE PHE 39 7.818 10.134 9.398 813 HE2 PHE 39 2HE PHE 39 5.062 7.458 11.251 814 HZ PHE 39 HZ PHE 39 5.760 9.757 10.687 815 HB2 PHE 39 2HB PHE 39 8.536 4.783 9.804 816 HB3 PHE 39 1HB PHE 39 9.771 5.877 9.206 817 H ILE 40 H ILE 40 10.092 4.955 5.837 818 HA ILE 40 HA ILE 40 10.751 2.158 6.333 819 HB ILE 40 HB ILE 40 11.799 4.047 4.207 820 HG12 ILE 40 2HG1 ILE 40 9.353 3.684 3.884 821 HG13 ILE 40 1HG1 ILE 40 10.287 2.919 2.625 822 HG21 ILE 40 1HG2 ILE 40 12.567 2.018 3.046 823 HG22 ILE 40 2HG2 ILE 40 12.023 1.046 4.408 824 HG23 ILE 40 3HG2 ILE 40 13.328 2.209 4.625 825 HD11 ILE 40 3HD1 ILE 40 9.949 0.743 3.660 826 HD12 ILE 40 1HD1 ILE 40 8.425 1.600 3.344 827 HD13 ILE 40 2HD1 ILE 40 9.045 1.529 4.975 828 H THR 41 H THR 41 12.223 1.855 7.876 829 HA THR 41 HA THR 41 14.354 3.825 8.195 830 HB THR 41 HB THR 41 14.595 2.947 10.477 831 HG1 THR 41 1HG THR 41 12.466 1.547 10.920 832 HG21 THR 41 3HG2 THR 41 11.729 3.637 9.816 833 HG22 THR 41 1HG2 THR 41 13.022 4.796 10.132 834 HG23 THR 41 2HG2 THR 41 12.461 3.726 11.418 835 H LYS 42 H LYS 42 16.257 2.514 9.349 836 HA LYS 42 HA LYS 42 17.013 0.429 7.466 837 HB2 LYS 42 2HB LYS 42 19.236 0.670 8.297 838 HB3 LYS 42 1HB LYS 42 18.598 2.293 8.135 839 HG2 LYS 42 2HG LYS 42 18.857 0.733 10.715 840 HG3 LYS 42 1HG LYS 42 19.930 2.014 10.185 841 HD2 LYS 42 2HD LYS 42 18.034 3.627 10.359 842 HD3 LYS 42 1HD LYS 42 16.997 2.292 10.860 843 HE2 LYS 42 2HE LYS 42 17.745 3.607 12.740 844 HE3 LYS 42 1HE LYS 42 18.317 1.943 12.805 845 HZ1 LYS 42 3HZ LYS 42 20.494 2.675 12.033 846 HZ2 LYS 42 1HZ LYS 42 20.082 3.575 13.389 847 HZ3 LYS 42 2HZ LYS 42 19.926 4.259 11.860 848 H ARG 43 H ARG 43 15.664 0.695 10.570 849 HA ARG 43 HA ARG 43 16.886 -1.802 11.502 850 HE ARG 43 HE ARG 43 18.023 0.230 14.695 851 HB2 ARG 43 2HB ARG 43 17.023 0.201 12.940 852 HB3 ARG 43 1HB ARG 43 15.270 0.254 12.992 853 HG2 ARG 43 2HG ARG 43 15.233 -1.899 14.147 854 HG3 ARG 43 1HG ARG 43 16.997 -1.961 14.078 855 HD2 ARG 43 2HD ARG 43 15.338 0.128 15.491 856 HD3 ARG 43 1HD ARG 43 16.246 -1.177 16.256 857 HH11 ARG 43 1HH1 ARG 43 16.056 0.811 17.561 858 HH12 ARG 43 2HH1 ARG 43 17.040 2.038 18.205 859 HH21 ARG 43 1HH2 ARG 43 19.445 1.889 15.561 860 HH22 ARG 43 2HH2 ARG 43 19.050 2.664 17.016 861 H GLY 44 H GLY 44 14.003 -0.534 10.246 862 HA2 GLY 44 2HA GLY 44 12.764 -3.061 10.159 863 HA3 GLY 44 1HA GLY 44 12.177 -2.211 11.571 864 H LEU 45 H LEU 45 10.139 -2.030 10.889 865 HA LEU 45 HA LEU 45 9.661 -0.101 8.772 866 HG LEU 45 HG LEU 45 7.132 -2.434 7.020 867 HB2 LEU 45 2HB LEU 45 9.292 -2.322 7.832 868 HB3 LEU 45 1HB LEU 45 8.357 -2.807 9.215 869 HD11 LEU 45 1HD1 LEU 45 5.160 -1.370 8.045 870 HD12 LEU 45 2HD1 LEU 45 6.135 -0.948 9.444 871 HD13 LEU 45 3HD1 LEU 45 5.825 -2.644 9.028 872 HD21 LEU 45 3HD2 LEU 45 7.574 0.463 7.716 873 HD22 LEU 45 1HD2 LEU 45 6.495 -0.156 6.458 874 HD23 LEU 45 2HD2 LEU 45 8.235 -0.398 6.323 875 H LYS 46 H LYS 46 8.542 1.558 9.637 876 HA LYS 46 HA LYS 46 6.828 0.926 11.897 877 HB2 LYS 46 2HB LYS 46 8.748 2.068 12.818 878 HB3 LYS 46 1HB LYS 46 8.596 3.364 11.638 879 HG2 LYS 46 2HG LYS 46 6.492 4.056 12.608 880 HG3 LYS 46 1HG LYS 46 6.530 2.693 13.725 881 HD2 LYS 46 2HD LYS 46 8.420 3.524 14.773 882 HD3 LYS 46 1HD LYS 46 8.589 4.864 13.600 883 HE2 LYS 46 2HE LYS 46 6.386 5.697 14.391 884 HE3 LYS 46 1HE LYS 46 6.352 4.400 15.585 885 HZ1 LYS 46 3HZ LYS 46 8.343 6.594 15.447 886 HZ2 LYS 46 1HZ LYS 46 8.362 5.360 16.588 887 HZ3 LYS 46 2HZ LYS 46 7.104 6.477 16.553 888 H VAL 47 H VAL 47 4.992 1.966 12.049 889 HA VAL 47 HA VAL 47 4.188 3.574 9.745 890 HB VAL 47 HB VAL 47 2.096 2.390 9.515 891 HG11 VAL 47 1HG1 VAL 47 4.504 0.594 9.393 892 HG12 VAL 47 2HG1 VAL 47 3.950 1.699 8.146 893 HG13 VAL 47 3HG1 VAL 47 3.008 0.266 8.541 894 HG21 VAL 47 3HG2 VAL 47 1.660 0.277 10.729 895 HG22 VAL 47 1HG2 VAL 47 1.816 1.646 11.823 896 HG23 VAL 47 2HG2 VAL 47 3.151 0.512 11.653 897 H CYS 48 H CYS 48 2.763 5.093 10.122 898 HA CYS 48 HA CYS 48 1.657 5.254 12.837 899 HB2 CYS 48 2HB CYS 48 2.756 7.472 11.132 900 HB3 CYS 48 1HB CYS 48 1.598 7.780 12.418 901 H ALA 49 H ALA 49 -0.429 5.580 13.037 902 HA ALA 49 HA ALA 49 -1.910 6.032 10.531 903 HB1 ALA 49 1HB ALA 49 -3.716 4.721 11.523 904 HB2 ALA 49 2HB ALA 49 -2.774 4.559 13.008 905 HB3 ALA 49 3HB ALA 49 -2.203 3.797 11.531 906 H ASP 50 H ASP 50 -2.960 7.864 10.470 907 HA ASP 50 HA ASP 50 -3.368 9.396 12.946 908 HB2 ASP 50 2HB ASP 50 -2.087 10.428 10.966 909 HB3 ASP 50 1HB ASP 50 -3.611 10.376 10.092 910 HA PRO 51 HA PRO 51 -7.631 8.245 13.008 911 HB2 PRO 51 2HB PRO 51 -8.697 10.555 14.022 912 HB3 PRO 51 1HB PRO 51 -7.900 9.298 14.977 913 HG2 PRO 51 2HG PRO 51 -6.770 11.855 13.908 914 HG3 PRO 51 1HG PRO 51 -6.593 11.145 15.528 915 HD2 PRO 51 2HD PRO 51 -4.637 10.905 13.767 916 HD3 PRO 51 1HD PRO 51 -5.119 9.514 14.778 917 H GLN 52 H GLN 52 -9.283 8.233 11.769 918 HA GLN 52 HA GLN 52 -9.602 9.478 9.378 919 HB2 GLN 52 2HB GLN 52 -11.819 8.636 11.248 920 HB3 GLN 52 1HB GLN 52 -11.973 8.805 9.517 921 HG2 GLN 52 2HG GLN 52 -11.861 6.473 9.955 922 HG3 GLN 52 1HG GLN 52 -10.269 6.902 9.333 923 HE21 GLN 52 1HE2 GLN 52 -11.372 7.604 12.628 924 HE22 GLN 52 2HE2 GLN 52 -10.353 6.473 13.392 925 H ALA 53 H ALA 53 -9.646 11.596 9.055 926 HA ALA 53 HA ALA 53 -10.616 13.423 11.069 927 HB1 ALA 53 1HB ALA 53 -9.768 15.159 9.565 928 HB2 ALA 53 2HB ALA 53 -9.451 13.933 8.338 929 HB3 ALA 53 3HB ALA 53 -8.556 13.909 9.856 930 H THR 54 H THR 54 -11.908 15.370 10.115 931 HA THR 54 HA THR 54 -14.357 14.294 9.036 932 HB THR 54 HB THR 54 -13.682 17.163 9.821 933 HG1 THR 54 1HG THR 54 -14.210 16.608 11.876 934 HG21 THR 54 3HG2 THR 54 -16.100 17.337 10.248 935 HG22 THR 54 1HG2 THR 54 -16.317 15.655 9.761 936 HG23 THR 54 2HG2 THR 54 -15.810 16.859 8.577 937 H TRP 55 H TRP 55 -11.645 14.888 7.556 938 HA TRP 55 HA TRP 55 -12.824 16.231 5.263 939 HD1 TRP 55 HD TRP 55 -12.333 18.641 4.473 940 HE1 TRP 55 1HE TRP 55 -11.342 19.543 2.218 941 HE3 TRP 55 3HE TRP 55 -8.044 15.957 4.390 942 HZ2 TRP 55 2HZ TRP 55 -9.030 19.119 0.672 943 HZ3 TRP 55 3HZ TRP 55 -6.481 16.247 2.514 944 HH2 TRP 55 HH TRP 55 -6.962 17.789 0.699 945 HB2 TRP 55 2HB TRP 55 -10.961 17.476 6.545 946 HB3 TRP 55 1HB TRP 55 -9.881 16.196 6.004 947 H VAL 56 H VAL 56 -11.074 15.507 3.362 948 HA VAL 56 HA VAL 56 -10.270 13.932 2.003 949 HB VAL 56 HB VAL 56 -10.423 11.921 4.273 950 HG11 VAL 56 1HG1 VAL 56 -10.309 10.870 2.091 951 HG12 VAL 56 2HG1 VAL 56 -8.791 10.633 2.959 952 HG13 VAL 56 3HG1 VAL 56 -8.894 11.836 1.675 953 HG21 VAL 56 3HG2 VAL 56 -8.008 12.295 4.568 954 HG22 VAL 56 1HG2 VAL 56 -8.948 13.752 4.897 955 HG23 VAL 56 2HG2 VAL 56 -8.072 13.591 3.376 956 H ARG 57 H ARG 57 -11.650 13.590 0.509 957 HA ARG 57 HA ARG 57 -13.747 11.636 0.983 958 HE ARG 57 HE ARG 57 -18.026 11.919 -1.023 959 HB2 ARG 57 2HB ARG 57 -14.810 13.826 1.205 960 HB3 ARG 57 1HB ARG 57 -14.172 14.329 -0.342 961 HG2 ARG 57 2HG ARG 57 -16.510 13.777 -0.555 962 HG3 ARG 57 1HG ARG 57 -15.544 12.595 -1.435 963 HD2 ARG 57 2HD ARG 57 -15.746 11.034 0.422 964 HD3 ARG 57 1HD ARG 57 -16.683 12.222 1.331 965 HH11 ARG 57 1HH1 ARG 57 -17.022 9.676 1.536 966 HH12 ARG 57 2HH1 ARG 57 -18.359 8.643 1.275 967 HH21 ARG 57 1HH2 ARG 57 -19.812 10.488 -1.315 968 HH22 ARG 57 2HH2 ARG 57 -19.948 9.102 -0.337 969 H ASP 58 H ASP 58 -12.890 13.715 -1.775 970 HA ASP 58 HA ASP 58 -12.269 13.319 -3.871 971 HB2 ASP 58 2HB ASP 58 -10.239 12.324 -2.926 972 HB3 ASP 58 1HB ASP 58 -11.047 10.780 -2.736 973 H VAL 59 H VAL 59 -12.859 9.969 -3.116 974 HA VAL 59 HA VAL 59 -14.047 8.382 -4.230 975 HB VAL 59 HB VAL 59 -16.284 10.194 -3.272 976 HG11 VAL 59 1HG1 VAL 59 -17.652 8.156 -3.154 977 HG12 VAL 59 2HG1 VAL 59 -16.337 7.237 -3.888 978 HG13 VAL 59 3HG1 VAL 59 -17.150 8.501 -4.809 979 HG21 VAL 59 3HG2 VAL 59 -16.237 8.786 -1.263 980 HG22 VAL 59 1HG2 VAL 59 -14.698 9.611 -1.518 981 HG23 VAL 59 2HG2 VAL 59 -14.861 7.905 -1.923 982 H VAL 60 H VAL 60 -13.331 8.623 -6.344 983 HA VAL 60 HA VAL 60 -15.413 9.608 -8.141 984 HB VAL 60 HB VAL 60 -12.429 9.472 -8.742 985 HG11 VAL 60 1HG1 VAL 60 -13.792 9.116 -10.718 986 HG12 VAL 60 2HG1 VAL 60 -12.984 10.682 -10.798 987 HG13 VAL 60 3HG1 VAL 60 -14.694 10.591 -10.383 988 HG21 VAL 60 3HG2 VAL 60 -14.153 11.899 -8.230 989 HG22 VAL 60 1HG2 VAL 60 -12.466 11.929 -8.746 990 HG23 VAL 60 2HG2 VAL 60 -12.894 11.278 -7.163 Start of MODEL 19 1 HA VAL 1 HA VAL 1 3.839 -7.487 25.475 2 HB VAL 1 HB VAL 1 4.654 -9.677 26.221 3 H1 VAL 1 1HT VAL 1 1.428 -8.021 27.097 4 H2 VAL 1 2HT VAL 1 1.674 -6.754 26.021 5 H3 VAL 1 3HT VAL 1 2.581 -6.817 27.430 6 HG11 VAL 1 2HG1 VAL 1 5.253 -9.112 28.520 7 HG12 VAL 1 3HG1 VAL 1 4.014 -7.856 28.532 8 HG13 VAL 1 1HG1 VAL 1 5.392 -7.728 27.438 9 HG21 VAL 1 1HG2 VAL 1 3.589 -10.872 28.091 10 HG22 VAL 1 2HG2 VAL 1 2.521 -10.767 26.691 11 HG23 VAL 1 3HG2 VAL 1 2.267 -9.708 28.080 12 H GLY 2 H GLY 2 4.209 -9.250 23.881 13 HA2 GLY 2 2HA GLY 2 3.430 -10.846 22.384 14 HA3 GLY 2 1HA GLY 2 1.824 -10.709 23.090 15 H SER 3 H SER 3 4.170 -8.960 21.127 16 HA SER 3 HA SER 3 1.975 -7.554 19.815 17 HG SER 3 HG SER 3 3.076 -5.396 20.875 18 HB2 SER 3 2HB SER 3 4.964 -7.089 19.701 19 HB3 SER 3 1HB SER 3 3.732 -6.072 18.956 20 H GLU 4 H GLU 4 4.022 -10.172 19.498 21 HA GLU 4 HA GLU 4 4.577 -11.648 17.939 22 HB2 GLU 4 2HB GLU 4 2.140 -11.855 17.620 23 HB3 GLU 4 1HB GLU 4 2.195 -10.594 16.395 24 HG2 GLU 4 2HG GLU 4 3.737 -12.039 15.078 25 HG3 GLU 4 1HG GLU 4 3.480 -13.306 16.264 26 H VAL 5 H VAL 5 6.543 -10.830 17.428 27 HA VAL 5 HA VAL 5 6.668 -9.642 14.799 28 HB VAL 5 HB VAL 5 7.106 -7.789 16.306 29 HG11 VAL 5 1HG1 VAL 5 8.978 -7.771 17.882 30 HG12 VAL 5 2HG1 VAL 5 9.256 -9.479 17.549 31 HG13 VAL 5 3HG1 VAL 5 7.746 -8.963 18.303 32 HG21 VAL 5 3HG2 VAL 5 9.683 -8.763 15.072 33 HG22 VAL 5 1HG2 VAL 5 9.361 -7.106 15.580 34 HG23 VAL 5 2HG2 VAL 5 8.437 -7.820 14.260 35 H SER 6 H SER 6 7.280 -11.275 13.665 36 HA SER 6 HA SER 6 9.555 -12.872 14.556 37 HG SER 6 HG SER 6 7.496 -12.676 11.763 38 HB2 SER 6 2HB SER 6 8.737 -14.469 12.793 39 HB3 SER 6 1HB SER 6 7.605 -14.206 14.124 40 H ASP 7 H ASP 7 11.433 -12.432 13.631 41 HA ASP 7 HA ASP 7 11.695 -10.526 11.560 42 HB2 ASP 7 2HB ASP 7 13.464 -10.852 13.256 43 HB3 ASP 7 1HB ASP 7 13.793 -12.452 12.600 44 H LYS 8 H LYS 8 10.834 -10.959 9.793 45 HA LYS 8 HA LYS 8 11.922 -12.347 7.679 46 HB2 LYS 8 2HB LYS 8 11.125 -14.420 8.901 47 HB3 LYS 8 1HB LYS 8 9.491 -13.777 8.839 48 HG2 LYS 8 2HG LYS 8 9.637 -13.787 6.354 49 HG3 LYS 8 1HG LYS 8 11.214 -14.557 6.492 50 HD2 LYS 8 2HD LYS 8 8.618 -15.675 7.538 51 HD3 LYS 8 1HD LYS 8 9.419 -16.171 6.048 52 HE2 LYS 8 2HE LYS 8 11.359 -16.922 7.362 53 HE3 LYS 8 1HE LYS 8 10.536 -16.416 8.837 54 HZ1 LYS 8 3HZ LYS 8 9.556 -18.507 6.972 55 HZ2 LYS 8 1HZ LYS 8 8.818 -18.042 8.414 56 HZ3 LYS 8 2HZ LYS 8 10.322 -18.795 8.438 57 H ARG 9 H ARG 9 8.626 -12.105 8.917 58 HA ARG 9 HA ARG 9 8.100 -9.673 7.440 59 HE ARG 9 HE ARG 9 8.549 -12.605 3.337 60 HB2 ARG 9 2HB ARG 9 6.318 -12.077 7.093 61 HB3 ARG 9 1HB ARG 9 6.180 -10.469 6.389 62 HG2 ARG 9 2HG ARG 9 8.049 -10.769 4.996 63 HG3 ARG 9 1HG ARG 9 8.482 -12.301 5.747 64 HD2 ARG 9 2HD ARG 9 6.291 -13.201 4.910 65 HD3 ARG 9 1HD ARG 9 6.075 -11.690 4.023 66 HH11 ARG 9 1HH1 ARG 9 5.236 -13.754 2.988 67 HH12 ARG 9 2HH1 ARG 9 5.557 -14.769 1.667 68 HH21 ARG 9 1HH2 ARG 9 9.028 -13.976 1.549 69 HH22 ARG 9 2HH2 ARG 9 7.819 -14.902 0.806 70 H THR 10 H THR 10 7.186 -8.519 9.021 71 HA THR 10 HA THR 10 5.554 -9.982 10.929 72 HB THR 10 HB THR 10 6.944 -7.318 11.306 73 HG1 THR 10 1HG THR 10 8.126 -9.568 11.243 74 HG21 THR 10 3HG2 THR 10 6.307 -7.643 13.650 75 HG22 THR 10 1HG2 THR 10 5.523 -9.162 13.161 76 HG23 THR 10 2HG2 THR 10 4.890 -7.634 12.556 77 H CYS 11 H CYS 11 3.477 -9.218 11.439 78 HA CYS 11 HA CYS 11 2.537 -6.899 9.935 79 HB2 CYS 11 2HB CYS 11 1.035 -9.477 10.498 80 HB3 CYS 11 1HB CYS 11 0.348 -8.049 9.753 81 H VAL 12 H VAL 12 1.018 -5.705 11.105 82 HA VAL 12 HA VAL 12 0.236 -6.648 13.738 83 HB VAL 12 HB VAL 12 2.382 -5.476 14.120 84 HG11 VAL 12 1HG1 VAL 12 2.523 -3.055 13.857 85 HG12 VAL 12 2HG1 VAL 12 0.969 -3.082 13.024 86 HG13 VAL 12 3HG1 VAL 12 2.351 -3.920 12.324 87 HG21 VAL 12 3HG2 VAL 12 0.008 -4.015 15.280 88 HG22 VAL 12 1HG2 VAL 12 1.651 -3.972 15.924 89 HG23 VAL 12 2HG2 VAL 12 0.743 -5.485 15.918 90 H SER 13 H SER 13 -1.628 -5.711 14.567 91 HA SER 13 HA SER 13 -2.992 -3.889 12.741 92 HG SER 13 HG SER 13 -3.350 -6.728 14.845 93 HB2 SER 13 2HB SER 13 -5.122 -4.802 13.751 94 HB3 SER 13 1HB SER 13 -4.198 -5.983 12.822 95 H LEU 14 H LEU 14 -3.470 -1.941 13.461 96 HA LEU 14 HA LEU 14 -3.228 -1.405 16.334 97 HG LEU 14 HG LEU 14 -0.515 0.818 14.966 98 HB2 LEU 14 2HB LEU 14 -2.792 0.487 14.014 99 HB3 LEU 14 1HB LEU 14 -2.705 0.926 15.699 100 HD11 LEU 14 1HD1 LEU 14 0.499 -0.983 16.231 101 HD12 LEU 14 2HD1 LEU 14 -1.080 -1.774 16.336 102 HD13 LEU 14 3HD1 LEU 14 -0.838 -0.202 17.086 103 HD21 LEU 14 3HD2 LEU 14 -0.862 -0.318 12.867 104 HD22 LEU 14 1HD2 LEU 14 -1.124 -1.848 13.709 105 HD23 LEU 14 2HD2 LEU 14 0.472 -1.079 13.749 106 H THR 15 H THR 15 -4.901 -0.264 17.266 107 HA THR 15 HA THR 15 -6.906 0.607 15.392 108 HB THR 15 HB THR 15 -7.781 -1.439 16.248 109 HG1 THR 15 1HG THR 15 -9.381 0.030 16.062 110 HG21 THR 15 3HG2 THR 15 -8.180 -1.851 18.660 111 HG22 THR 15 1HG2 THR 15 -7.305 -0.365 19.041 112 HG23 THR 15 2HG2 THR 15 -6.465 -1.712 18.274 113 H THR 16 H THR 16 -6.987 2.634 15.467 114 HA THR 16 HA THR 16 -7.036 4.002 18.065 115 HB THR 16 HB THR 16 -4.994 4.614 16.789 116 HG1 THR 16 1HG THR 16 -5.586 7.007 16.571 117 HG21 THR 16 3HG2 THR 16 -5.824 4.233 14.505 118 HG22 THR 16 1HG2 THR 16 -5.156 5.861 14.656 119 HG23 THR 16 2HG2 THR 16 -6.903 5.617 14.657 120 H GLN 17 H GLN 17 -8.004 6.450 17.220 121 HA GLN 17 HA GLN 17 -10.771 5.798 16.832 122 HB2 GLN 17 2HB GLN 17 -10.216 7.658 18.314 123 HB3 GLN 17 1HB GLN 17 -9.450 8.517 16.990 124 HG2 GLN 17 2HG GLN 17 -11.635 9.460 17.483 125 HG3 GLN 17 1HG GLN 17 -11.608 8.750 15.876 126 HE21 GLN 17 1HE2 GLN 17 -13.859 9.343 17.586 127 HE22 GLN 17 2HE2 GLN 17 -14.710 7.871 17.833 128 H ARG 18 H ARG 18 -11.086 4.944 14.954 129 HA ARG 18 HA ARG 18 -10.685 6.610 12.568 130 HE ARG 18 HE ARG 18 -9.647 1.307 10.965 131 HB2 ARG 18 2HB ARG 18 -10.159 4.567 11.328 132 HB3 ARG 18 1HB ARG 18 -9.062 4.719 12.690 133 HG2 ARG 18 2HG ARG 18 -9.572 2.579 13.081 134 HG3 ARG 18 1HG ARG 18 -11.102 3.198 13.727 135 HD2 ARG 18 2HD ARG 18 -11.697 1.544 12.164 136 HD3 ARG 18 1HD ARG 18 -11.944 3.091 11.335 137 HH11 ARG 18 1HH1 ARG 18 -11.797 3.788 9.634 138 HH12 ARG 18 2HH1 ARG 18 -11.055 3.782 8.114 139 HH21 ARG 18 1HH2 ARG 18 -8.681 1.298 8.965 140 HH22 ARG 18 2HH2 ARG 18 -9.208 2.311 7.687 141 H LEU 19 H LEU 19 -12.458 6.543 11.053 142 HA LEU 19 HA LEU 19 -14.935 5.610 12.193 143 HG LEU 19 HG LEU 19 -15.782 8.098 11.923 144 HB2 LEU 19 2HB LEU 19 -14.341 6.950 9.530 145 HB3 LEU 19 1HB LEU 19 -15.943 6.467 10.027 146 HD11 LEU 19 1HD1 LEU 19 -13.376 8.261 12.118 147 HD12 LEU 19 2HD1 LEU 19 -14.092 9.845 11.831 148 HD13 LEU 19 3HD1 LEU 19 -13.285 8.992 10.517 149 HD21 LEU 19 3HD2 LEU 19 -16.946 8.664 9.885 150 HD22 LEU 19 1HD2 LEU 19 -15.437 9.227 9.161 151 HD23 LEU 19 2HD2 LEU 19 -16.125 10.077 10.544 152 HA PRO 20 HA PRO 20 -14.726 1.640 10.412 153 HB2 PRO 20 2HB PRO 20 -17.370 1.038 10.145 154 HB3 PRO 20 1HB PRO 20 -16.522 1.026 11.694 155 HG2 PRO 20 2HG PRO 20 -18.267 3.137 10.510 156 HG3 PRO 20 1HG PRO 20 -18.195 2.543 12.179 157 HD2 PRO 20 2HD PRO 20 -17.010 4.840 11.364 158 HD3 PRO 20 1HD PRO 20 -16.339 3.848 12.688 159 H VAL 21 H VAL 21 -14.703 0.665 8.552 160 HA VAL 21 HA VAL 21 -15.810 1.999 6.157 161 HB VAL 21 HB VAL 21 -13.267 0.354 6.256 162 HG11 VAL 21 1HG1 VAL 21 -12.763 1.382 4.099 163 HG12 VAL 21 2HG1 VAL 21 -14.312 2.233 4.160 164 HG13 VAL 21 3HG1 VAL 21 -14.275 0.469 4.077 165 HG21 VAL 21 3HG2 VAL 21 -12.887 2.285 7.640 166 HG22 VAL 21 1HG2 VAL 21 -13.467 3.366 6.368 167 HG23 VAL 21 2HG2 VAL 21 -11.978 2.439 6.138 168 H SER 22 H SER 22 -16.638 0.501 4.575 169 HA SER 22 HA SER 22 -17.216 -2.119 5.697 170 HG SER 22 HG SER 22 -18.842 0.282 5.055 171 HB2 SER 22 2HB SER 22 -18.279 -0.852 3.164 172 HB3 SER 22 1HB SER 22 -18.886 -2.315 3.939 173 H ARG 23 H ARG 23 -15.596 -0.682 2.904 174 HA ARG 23 HA ARG 23 -14.880 -3.289 1.859 175 HE ARG 23 HE ARG 23 -17.808 -1.712 -1.602 176 HB2 ARG 23 2HB ARG 23 -14.321 -0.517 0.865 177 HB3 ARG 23 1HB ARG 23 -13.834 -1.992 0.042 178 HG2 ARG 23 2HG ARG 23 -16.183 -2.668 -0.116 179 HG3 ARG 23 1HG ARG 23 -16.649 -1.160 0.671 180 HD2 ARG 23 2HD ARG 23 -15.618 0.086 -1.120 181 HD3 ARG 23 1HD ARG 23 -15.149 -1.451 -1.871 182 HH11 ARG 23 1HH1 ARG 23 -15.884 0.850 -3.099 183 HH12 ARG 23 2HH1 ARG 23 -17.042 1.251 -4.266 184 HH21 ARG 23 1HH2 ARG 23 -19.432 -1.144 -3.172 185 HH22 ARG 23 2HH2 ARG 23 -19.148 0.096 -4.293 186 H ILE 24 H ILE 24 -12.915 -4.210 2.043 187 HA ILE 24 HA ILE 24 -11.028 -2.959 3.870 188 HB ILE 24 HB ILE 24 -11.020 -5.731 2.628 189 HG12 ILE 24 2HG1 ILE 24 -12.968 -5.441 4.091 190 HG13 ILE 24 1HG1 ILE 24 -11.811 -6.549 4.813 191 HG21 ILE 24 1HG2 ILE 24 -9.387 -6.304 4.378 192 HG22 ILE 24 2HG2 ILE 24 -9.374 -4.620 4.906 193 HG23 ILE 24 3HG2 ILE 24 -8.784 -5.040 3.301 194 HD11 ILE 24 3HD1 ILE 24 -12.209 -3.656 5.570 195 HD12 ILE 24 1HD1 ILE 24 -11.040 -4.766 6.288 196 HD13 ILE 24 2HD1 ILE 24 -12.769 -5.063 6.473 197 H LYS 25 H LYS 25 -9.260 -1.975 3.145 198 HA LYS 25 HA LYS 25 -8.667 -2.303 0.294 199 HB2 LYS 25 2HB LYS 25 -7.853 0.017 2.060 200 HB3 LYS 25 1HB LYS 25 -7.561 -0.153 0.345 201 HG2 LYS 25 2HG LYS 25 -10.269 0.113 1.637 202 HG3 LYS 25 1HG LYS 25 -9.410 1.364 0.741 203 HD2 LYS 25 2HD LYS 25 -9.458 -0.117 -1.254 204 HD3 LYS 25 1HD LYS 25 -10.430 -1.260 -0.335 205 HE2 LYS 25 2HE LYS 25 -11.882 0.074 -1.704 206 HE3 LYS 25 1HE LYS 25 -12.139 0.487 -0.012 207 HZ1 LYS 25 3HZ LYS 25 -12.036 2.445 -1.473 208 HZ2 LYS 25 1HZ LYS 25 -10.492 2.049 -1.933 209 HZ3 LYS 25 2HZ LYS 25 -10.792 2.535 -0.353 210 H THR 26 H THR 26 -6.607 -2.624 -0.440 211 HA THR 26 HA THR 26 -4.500 -3.272 1.546 212 HB THR 26 HB THR 26 -5.157 -4.718 -1.042 213 HG1 THR 26 1HG THR 26 -6.092 -4.962 1.477 214 HG21 THR 26 3HG2 THR 26 -2.758 -4.737 -0.446 215 HG22 THR 26 1HG2 THR 26 -3.470 -6.342 -0.274 216 HG23 THR 26 2HG2 THR 26 -3.165 -5.351 1.154 217 H TYR 27 H TYR 27 -2.749 -2.140 1.219 218 HA TYR 27 HA TYR 27 -2.228 -1.144 -1.472 219 HD1 TYR 27 2HD TYR 27 -2.573 1.364 -2.372 220 HD2 TYR 27 1HD TYR 27 -4.356 0.709 1.385 221 HE1 TYR 27 2HE TYR 27 -4.684 2.270 -3.248 222 HE2 TYR 27 1HE TYR 27 -6.498 1.628 0.556 223 HH TYR 27 HH TYR 27 -7.316 3.096 -1.252 224 HB2 TYR 27 2HB TYR 27 -2.032 0.442 1.079 225 HB3 TYR 27 1HB TYR 27 -1.257 0.938 -0.428 226 H THR 28 H THR 28 -0.306 -1.258 -2.207 227 HA THR 28 HA THR 28 1.676 -2.487 -0.469 228 HB THR 28 HB THR 28 2.609 -3.418 -2.673 229 HG1 THR 28 1HG THR 28 0.882 -1.933 -3.762 230 HG21 THR 28 3HG2 THR 28 0.983 -5.299 -2.704 231 HG22 THR 28 1HG2 THR 28 -0.055 -4.381 -1.598 232 HG23 THR 28 2HG2 THR 28 1.570 -4.878 -1.108 233 H ILE 29 H ILE 29 3.351 -1.313 -0.069 234 HA ILE 29 HA ILE 29 4.207 0.720 -2.001 235 HB ILE 29 HB ILE 29 4.398 0.626 1.010 236 HG12 ILE 29 2HG1 ILE 29 3.060 2.592 -0.850 237 HG13 ILE 29 1HG1 ILE 29 2.244 1.276 -0.018 238 HG21 ILE 29 1HG2 ILE 29 5.595 2.697 -0.852 239 HG22 ILE 29 2HG2 ILE 29 6.498 1.528 0.110 240 HG23 ILE 29 3HG2 ILE 29 5.564 2.781 0.914 241 HD11 ILE 29 3HD1 ILE 29 1.932 3.426 1.066 242 HD12 ILE 29 1HD1 ILE 29 3.700 3.513 1.348 243 HD13 ILE 29 2HD1 ILE 29 2.749 2.213 2.061 244 H THR 30 H THR 30 6.124 0.391 -2.900 245 HA THR 30 HA THR 30 7.847 -1.624 -1.696 246 HB THR 30 HB THR 30 7.075 -2.221 -3.949 247 HG1 THR 30 1HG THR 30 8.970 -3.021 -4.333 248 HG21 THR 30 3HG2 THR 30 8.405 0.343 -4.816 249 HG22 THR 30 1HG2 THR 30 6.672 0.012 -4.840 250 HG23 THR 30 2HG2 THR 30 7.753 -0.870 -5.918 251 H GLU 31 H GLU 31 9.741 -1.037 -0.948 252 HA GLU 31 HA GLU 31 11.022 1.362 -1.934 253 HB2 GLU 31 2HB GLU 31 9.708 2.131 -0.022 254 HB3 GLU 31 1HB GLU 31 10.369 0.865 0.983 255 HG2 GLU 31 2HG GLU 31 11.310 3.119 1.361 256 HG3 GLU 31 1HG GLU 31 12.502 1.870 1.008 257 H GLY 32 H GLY 32 13.026 0.822 -2.457 258 HA2 GLY 32 2HA GLY 32 15.085 -0.202 -2.446 259 HA3 GLY 32 1HA GLY 32 14.793 -0.615 -0.759 260 H SER 33 H SER 33 13.810 -2.545 -0.271 261 HA SER 33 HA SER 33 12.983 -4.307 -2.369 262 HG SER 33 HG SER 33 13.605 -6.723 -1.332 263 HB2 SER 33 2HB SER 33 15.443 -4.783 -2.190 264 HB3 SER 33 1HB SER 33 15.186 -5.190 -0.493 265 H LEU 34 H LEU 34 12.136 -2.851 0.296 266 HA LEU 34 HA LEU 34 10.861 -5.244 1.320 267 HG LEU 34 HG LEU 34 10.360 -1.751 2.662 268 HB2 LEU 34 2HB LEU 34 10.364 -4.121 3.444 269 HB3 LEU 34 1HB LEU 34 12.101 -4.142 3.185 270 HD11 LEU 34 1HD1 LEU 34 10.991 -1.024 4.937 271 HD12 LEU 34 2HD1 LEU 34 11.813 -2.565 5.200 272 HD13 LEU 34 3HD1 LEU 34 10.063 -2.526 4.974 273 HD21 LEU 34 3HD2 LEU 34 12.633 -1.721 1.720 274 HD22 LEU 34 1HD2 LEU 34 13.301 -2.025 3.326 275 HD23 LEU 34 2HD2 LEU 34 12.414 -0.523 2.984 276 H ARG 35 H ARG 35 8.783 -5.302 1.495 277 HA ARG 35 HA ARG 35 7.359 -3.039 0.259 278 HE ARG 35 HE ARG 35 6.926 -7.587 -1.305 279 HB2 ARG 35 2HB ARG 35 6.595 -5.953 0.125 280 HB3 ARG 35 1HB ARG 35 5.667 -4.624 -0.552 281 HG2 ARG 35 2HG ARG 35 7.590 -4.109 -2.032 282 HG3 ARG 35 1HG ARG 35 8.401 -5.544 -1.396 283 HD2 ARG 35 2HD ARG 35 5.767 -5.470 -2.852 284 HD3 ARG 35 1HD ARG 35 7.301 -6.030 -3.510 285 HH11 ARG 35 1HH1 ARG 35 4.965 -6.900 -4.180 286 HH12 ARG 35 2HH1 ARG 35 4.201 -8.418 -4.159 287 HH21 ARG 35 1HH2 ARG 35 5.907 -9.572 -1.268 288 HH22 ARG 35 2HH2 ARG 35 4.718 -10.000 -2.437 289 H ALA 36 H ALA 36 5.743 -2.185 1.297 290 HA ALA 36 HA ALA 36 4.926 -3.469 3.802 291 HB1 ALA 36 1HB ALA 36 4.368 -1.227 4.597 292 HB2 ALA 36 2HB ALA 36 4.899 -0.553 3.054 293 HB3 ALA 36 3HB ALA 36 6.062 -1.333 4.123 294 H VAL 37 H VAL 37 2.878 -3.971 4.049 295 HA VAL 37 HA VAL 37 0.988 -3.161 1.953 296 HB VAL 37 HB VAL 37 0.966 -5.692 3.622 297 HG11 VAL 37 1HG1 VAL 37 -0.931 -6.352 2.215 298 HG12 VAL 37 2HG1 VAL 37 -0.886 -4.775 1.424 299 HG13 VAL 37 3HG1 VAL 37 -1.291 -4.893 3.137 300 HG21 VAL 37 3HG2 VAL 37 1.353 -6.842 1.527 301 HG22 VAL 37 1HG2 VAL 37 2.661 -5.665 1.817 302 HG23 VAL 37 2HG2 VAL 37 1.330 -5.290 0.704 303 H ILE 38 H ILE 38 -0.534 -1.865 2.596 304 HA ILE 38 HA ILE 38 -1.131 -1.599 5.417 305 HB ILE 38 HB ILE 38 -1.559 0.138 2.989 306 HG12 ILE 38 2HG1 ILE 38 0.066 0.601 5.473 307 HG13 ILE 38 1HG1 ILE 38 0.703 0.011 3.942 308 HG21 ILE 38 1HG2 ILE 38 -3.481 0.383 4.471 309 HG22 ILE 38 2HG2 ILE 38 -2.470 1.822 4.411 310 HG23 ILE 38 3HG2 ILE 38 -2.389 0.753 5.821 311 HD11 ILE 38 3HD1 ILE 38 -0.727 2.632 4.237 312 HD12 ILE 38 1HD1 ILE 38 0.263 1.989 2.871 313 HD13 ILE 38 2HD1 ILE 38 1.018 2.415 4.399 314 H PHE 39 H PHE 39 -2.848 -2.668 6.065 315 HA PHE 39 HA PHE 39 -5.006 -3.233 4.177 316 HD1 PHE 39 1HD PHE 39 -5.424 -5.979 3.719 317 HD2 PHE 39 2HD PHE 39 -2.367 -5.494 6.629 318 HE1 PHE 39 1HE PHE 39 -4.156 -7.829 2.694 319 HE2 PHE 39 2HE PHE 39 -1.104 -7.327 5.612 320 HZ PHE 39 HZ PHE 39 -1.989 -8.500 3.650 321 HB2 PHE 39 2HB PHE 39 -4.407 -4.417 6.892 322 HB3 PHE 39 1HB PHE 39 -5.805 -4.818 5.914 323 H ILE 40 H ILE 40 -6.500 -1.859 4.233 324 HA ILE 40 HA ILE 40 -6.990 -0.296 6.637 325 HB ILE 40 HB ILE 40 -8.332 -0.207 3.927 326 HG12 ILE 40 2HG1 ILE 40 -5.995 0.482 3.603 327 HG13 ILE 40 1HG1 ILE 40 -7.034 1.886 3.560 328 HG21 ILE 40 1HG2 ILE 40 -9.786 0.677 5.626 329 HG22 ILE 40 2HG2 ILE 40 -9.185 1.997 4.616 330 HG23 ILE 40 3HG2 ILE 40 -8.490 1.723 6.214 331 HD11 ILE 40 3HD1 ILE 40 -6.342 2.514 5.813 332 HD12 ILE 40 1HD1 ILE 40 -4.952 2.264 4.746 333 HD13 ILE 40 2HD1 ILE 40 -5.376 1.032 5.907 334 H THR 41 H THR 41 -8.267 -1.235 8.080 335 HA THR 41 HA THR 41 -10.381 -2.957 7.082 336 HB THR 41 HB THR 41 -8.718 -4.335 8.184 337 HG1 THR 41 1HG THR 41 -10.016 -5.327 9.741 338 HG21 THR 41 3HG2 THR 41 -7.650 -2.667 9.607 339 HG22 THR 41 1HG2 THR 41 -8.144 -4.059 10.571 340 HG23 THR 41 2HG2 THR 41 -9.093 -2.573 10.613 341 H LYS 42 H LYS 42 -12.003 -3.266 8.997 342 HA LYS 42 HA LYS 42 -13.259 -0.735 8.940 343 HB2 LYS 42 2HB LYS 42 -15.222 -1.928 10.042 344 HB3 LYS 42 1HB LYS 42 -14.734 -2.429 8.437 345 HG2 LYS 42 2HG LYS 42 -15.274 -4.372 9.716 346 HG3 LYS 42 1HG LYS 42 -13.531 -4.354 9.470 347 HD2 LYS 42 2HD LYS 42 -13.302 -3.374 11.741 348 HD3 LYS 42 1HD LYS 42 -15.039 -3.576 11.958 349 HE2 LYS 42 2HE LYS 42 -13.029 -5.735 11.416 350 HE3 LYS 42 1HE LYS 42 -13.793 -5.400 12.965 351 HZ1 LYS 42 3HZ LYS 42 -15.156 -6.359 10.495 352 HZ2 LYS 42 1HZ LYS 42 -15.964 -5.966 11.922 353 HZ3 LYS 42 2HZ LYS 42 -14.884 -7.250 11.860 354 H ARG 43 H ARG 43 -11.683 -2.342 11.608 355 HA ARG 43 HA ARG 43 -12.705 -0.132 13.302 356 HE ARG 43 HE ARG 43 -13.821 -0.637 17.880 357 HB2 ARG 43 2HB ARG 43 -13.310 -2.689 13.790 358 HB3 ARG 43 1HB ARG 43 -11.716 -2.721 14.503 359 HG2 ARG 43 2HG ARG 43 -13.966 -0.887 15.406 360 HG3 ARG 43 1HG ARG 43 -13.603 -2.439 16.131 361 HD2 ARG 43 2HD ARG 43 -11.382 -1.556 16.793 362 HD3 ARG 43 1HD ARG 43 -11.812 -0.002 16.084 363 HH11 ARG 43 1HH1 ARG 43 -10.318 0.073 18.115 364 HH12 ARG 43 2HH1 ARG 43 -10.448 0.676 19.696 365 HH21 ARG 43 1HH2 ARG 43 -13.917 0.211 20.053 366 HH22 ARG 43 2HH2 ARG 43 -12.506 0.755 20.830 367 H GLY 44 H GLY 44 -10.081 -0.964 11.610 368 HA2 GLY 44 2HA GLY 44 -8.352 0.643 13.245 369 HA3 GLY 44 1HA GLY 44 -7.930 -1.051 13.338 370 H LEU 45 H LEU 45 -5.957 -0.418 12.575 371 HA LEU 45 HA LEU 45 -5.716 -0.230 9.663 372 HG LEU 45 HG LEU 45 -3.120 2.657 9.962 373 HB2 LEU 45 2HB LEU 45 -5.288 1.999 10.511 374 HB3 LEU 45 1HB LEU 45 -4.313 1.385 11.812 375 HD11 LEU 45 1HD1 LEU 45 -2.111 -0.113 10.597 376 HD12 LEU 45 2HD1 LEU 45 -1.811 1.368 11.505 377 HD13 LEU 45 3HD1 LEU 45 -1.158 1.191 9.886 378 HD21 LEU 45 3HD2 LEU 45 -4.262 1.715 8.039 379 HD22 LEU 45 1HD2 LEU 45 -3.618 0.116 8.417 380 HD23 LEU 45 2HD2 LEU 45 -2.529 1.415 7.934 381 H LYS 46 H LYS 46 -4.573 -1.956 8.946 382 HA LYS 46 HA LYS 46 -2.666 -3.112 10.816 383 HB2 LYS 46 2HB LYS 46 -4.487 -4.667 10.694 384 HB3 LYS 46 1HB LYS 46 -4.512 -4.599 8.939 385 HG2 LYS 46 2HG LYS 46 -2.381 -5.722 8.807 386 HG3 LYS 46 1HG LYS 46 -2.196 -5.651 10.556 387 HD2 LYS 46 2HD LYS 46 -3.978 -7.082 10.885 388 HD3 LYS 46 1HD LYS 46 -4.423 -7.101 9.152 389 HE2 LYS 46 2HE LYS 46 -2.251 -8.171 8.689 390 HE3 LYS 46 1HE LYS 46 -1.872 -8.143 10.407 391 HZ1 LYS 46 3HZ LYS 46 -4.082 -9.658 9.117 392 HZ2 LYS 46 1HZ LYS 46 -3.805 -9.614 10.777 393 HZ3 LYS 46 2HZ LYS 46 -2.680 -10.316 9.740 394 H VAL 47 H VAL 47 -0.802 -3.850 10.027 395 HA VAL 47 HA VAL 47 -0.243 -3.182 7.238 396 HB VAL 47 HB VAL 47 0.518 -1.317 8.706 397 HG11 VAL 47 1HG1 VAL 47 2.524 -1.645 10.092 398 HG12 VAL 47 2HG1 VAL 47 2.391 -3.378 9.822 399 HG13 VAL 47 3HG1 VAL 47 1.111 -2.521 10.688 400 HG21 VAL 47 3HG2 VAL 47 1.601 -1.663 6.555 401 HG22 VAL 47 1HG2 VAL 47 2.724 -2.813 7.282 402 HG23 VAL 47 2HG2 VAL 47 2.785 -1.110 7.741 403 H CYS 48 H CYS 48 1.044 -4.534 6.254 404 HA CYS 48 HA CYS 48 2.430 -6.551 7.838 405 HB2 CYS 48 2HB CYS 48 0.997 -6.853 5.229 406 HB3 CYS 48 1HB CYS 48 2.332 -7.923 5.645 407 H ALA 49 H ALA 49 4.446 -7.030 7.330 408 HA ALA 49 HA ALA 49 5.684 -5.270 5.350 409 HB1 ALA 49 1HB ALA 49 6.895 -6.525 7.812 410 HB2 ALA 49 2HB ALA 49 6.399 -4.840 7.665 411 HB3 ALA 49 3HB ALA 49 7.726 -5.462 6.679 412 H ASP 50 H ASP 50 6.503 -6.232 3.727 413 HA ASP 50 HA ASP 50 7.160 -9.092 3.804 414 HB2 ASP 50 2HB ASP 50 5.136 -8.683 2.425 415 HB3 ASP 50 1HB ASP 50 5.999 -7.466 1.505 416 HA PRO 51 HA PRO 51 10.764 -6.660 2.564 417 HB2 PRO 51 2HB PRO 51 12.285 -7.187 4.767 418 HB3 PRO 51 1HB PRO 51 11.155 -5.839 4.629 419 HG2 PRO 51 2HG PRO 51 10.953 -8.127 6.360 420 HG3 PRO 51 1HG PRO 51 9.818 -6.781 6.199 421 HD2 PRO 51 2HD PRO 51 9.752 -9.467 4.947 422 HD3 PRO 51 1HD PRO 51 8.409 -8.366 5.345 423 H GLN 52 H GLN 52 12.184 -7.427 1.278 424 HA GLN 52 HA GLN 52 13.697 -8.675 0.210 425 HB2 GLN 52 2HB GLN 52 14.433 -9.620 2.960 426 HB3 GLN 52 1HB GLN 52 15.452 -9.593 1.530 427 HG2 GLN 52 2HG GLN 52 15.274 -7.105 1.529 428 HG3 GLN 52 1HG GLN 52 14.380 -7.195 3.020 429 HE21 GLN 52 1HE2 GLN 52 17.009 -9.407 2.299 430 HE22 GLN 52 2HE2 GLN 52 18.085 -8.801 3.482 431 H ALA 53 H ALA 53 11.706 -9.996 -0.472 432 HA ALA 53 HA ALA 53 11.702 -12.662 0.622 433 HB1 ALA 53 1HB ALA 53 9.593 -11.612 -0.055 434 HB2 ALA 53 2HB ALA 53 9.900 -13.122 -0.914 435 HB3 ALA 53 3HB ALA 53 10.173 -11.575 -1.724 436 H THR 54 H THR 54 12.330 -11.266 -2.603 437 HA THR 54 HA THR 54 14.481 -13.175 -3.044 438 HB THR 54 HB THR 54 12.143 -12.991 -5.026 439 HG1 THR 54 1HG THR 54 12.468 -14.429 -2.752 440 HG21 THR 54 3HG2 THR 54 14.443 -14.961 -4.813 441 HG22 THR 54 1HG2 THR 54 14.312 -13.671 -6.007 442 HG23 THR 54 2HG2 THR 54 13.160 -15.008 -6.021 443 H TRP 55 H TRP 55 14.187 -10.349 -2.587 444 HA TRP 55 HA TRP 55 14.779 -8.343 -3.230 445 HD1 TRP 55 HD TRP 55 17.466 -11.341 -4.202 446 HE1 TRP 55 1HE TRP 55 19.471 -10.931 -2.631 447 HE3 TRP 55 3HE TRP 55 17.056 -6.280 -3.657 448 HZ2 TRP 55 2HZ TRP 55 20.711 -8.761 -1.343 449 HZ3 TRP 55 3HZ TRP 55 18.690 -5.114 -2.237 450 HH2 TRP 55 HH TRP 55 20.479 -6.333 -1.105 451 HB2 TRP 55 2HB TRP 55 15.961 -9.717 -5.659 452 HB3 TRP 55 1HB TRP 55 16.111 -7.986 -5.369 453 H VAL 56 H VAL 56 13.768 -6.651 -3.961 454 HA VAL 56 HA VAL 56 11.498 -7.298 -5.699 455 HB VAL 56 HB VAL 56 11.595 -5.248 -3.488 456 HG11 VAL 56 1HG1 VAL 56 9.295 -6.149 -5.211 457 HG12 VAL 56 2HG1 VAL 56 10.111 -4.585 -5.274 458 HG13 VAL 56 3HG1 VAL 56 9.194 -5.038 -3.841 459 HG21 VAL 56 3HG2 VAL 56 10.229 -7.938 -3.588 460 HG22 VAL 56 1HG2 VAL 56 10.057 -6.742 -2.302 461 HG23 VAL 56 2HG2 VAL 56 11.620 -7.505 -2.594 462 H ARG 57 H ARG 57 11.687 -6.421 -7.607 463 HA ARG 57 HA ARG 57 12.293 -3.567 -7.739 464 HE ARG 57 HE ARG 57 12.783 -5.572 -11.909 465 HB2 ARG 57 2HB ARG 57 14.047 -4.893 -8.935 466 HB3 ARG 57 1HB ARG 57 12.783 -5.645 -9.901 467 HG2 ARG 57 2HG ARG 57 12.153 -3.401 -10.747 468 HG3 ARG 57 1HG ARG 57 13.526 -2.724 -9.875 469 HD2 ARG 57 2HD ARG 57 14.126 -3.083 -12.197 470 HD3 ARG 57 1HD ARG 57 15.028 -4.194 -11.168 471 HH11 ARG 57 1HH1 ARG 57 15.398 -4.013 -13.684 472 HH12 ARG 57 2HH1 ARG 57 15.358 -5.106 -14.980 473 HH21 ARG 57 1HH2 ARG 57 12.696 -7.045 -13.650 474 HH22 ARG 57 2HH2 ARG 57 13.754 -6.896 -14.975 475 H ASP 58 H ASP 58 10.316 -2.715 -7.890 476 HA ASP 58 HA ASP 58 8.329 -4.224 -9.446 477 HB2 ASP 58 2HB ASP 58 7.895 -3.881 -6.949 478 HB3 ASP 58 1HB ASP 58 7.803 -2.162 -7.305 479 H VAL 59 H VAL 59 6.752 -2.781 -10.575 480 HA VAL 59 HA VAL 59 8.215 -0.872 -12.094 481 HB VAL 59 HB VAL 59 6.144 -0.534 -13.392 482 HG11 VAL 59 1HG1 VAL 59 6.790 -3.425 -12.846 483 HG12 VAL 59 2HG1 VAL 59 7.612 -2.368 -13.993 484 HG13 VAL 59 3HG1 VAL 59 5.929 -2.823 -14.262 485 HG21 VAL 59 3HG2 VAL 59 4.498 -0.731 -11.595 486 HG22 VAL 59 1HG2 VAL 59 4.892 -2.436 -11.401 487 HG23 VAL 59 2HG2 VAL 59 4.133 -1.871 -12.893 488 H VAL 60 H VAL 60 6.118 -0.651 -9.368 489 HA VAL 60 HA VAL 60 5.819 2.232 -9.791 490 HB VAL 60 HB VAL 60 3.825 0.975 -8.980 491 HG11 VAL 60 1HG1 VAL 60 3.703 0.205 -6.663 492 HG12 VAL 60 2HG1 VAL 60 5.412 0.590 -6.454 493 HG13 VAL 60 3HG1 VAL 60 4.929 -0.673 -7.582 494 HG21 VAL 60 3HG2 VAL 60 3.181 2.540 -7.192 495 HG22 VAL 60 1HG2 VAL 60 3.969 3.362 -8.538 496 HG23 VAL 60 2HG2 VAL 60 4.864 3.049 -7.049 497 HA VAL 1 HA VAL 1 1.468 -1.051 29.661 498 HB VAL 1 HB VAL 1 3.034 0.839 29.516 499 H1 VAL 1 H VAL 1 2.905 -2.988 30.911 500 HG11 VAL 1 1HG1 VAL 1 2.258 0.188 32.350 501 HG12 VAL 1 2HG1 VAL 1 1.260 1.004 31.147 502 HG13 VAL 1 3HG1 VAL 1 2.713 1.786 31.760 503 HG21 VAL 1 3HG2 VAL 1 4.629 -0.612 31.637 504 HG22 VAL 1 1HG2 VAL 1 4.932 1.035 31.091 505 HG23 VAL 1 2HG2 VAL 1 5.130 -0.315 29.973 506 H GLY 2 H GLY 2 2.778 -0.289 27.640 507 HA2 GLY 2 2HA GLY 2 4.716 -0.761 26.257 508 HA3 GLY 2 1HA GLY 2 4.738 -2.374 26.950 509 H SER 3 H SER 3 1.579 -1.503 26.401 510 HA SER 3 HA SER 3 1.413 -3.310 24.187 511 HG SER 3 HG SER 3 0.368 -3.329 26.697 512 HB2 SER 3 2HB SER 3 -0.693 -1.536 25.443 513 HB3 SER 3 1HB SER 3 -1.007 -2.817 24.274 514 H GLU 4 H GLU 4 1.393 0.109 24.702 515 HA GLU 4 HA GLU 4 1.467 1.899 23.446 516 HB2 GLU 4 2HB GLU 4 3.600 1.062 22.733 517 HB3 GLU 4 1HB GLU 4 2.855 0.046 21.512 518 HG2 GLU 4 2HG GLU 4 2.219 1.967 20.223 519 HG3 GLU 4 1HG GLU 4 2.746 3.055 21.505 520 H VAL 5 H VAL 5 -0.544 2.401 23.268 521 HA VAL 5 HA VAL 5 -1.522 2.580 20.675 522 HB VAL 5 HB VAL 5 -2.423 0.351 21.032 523 HG11 VAL 5 1HG1 VAL 5 -3.991 -0.205 22.816 524 HG12 VAL 5 2HG1 VAL 5 -3.748 1.395 23.517 525 HG13 VAL 5 3HG1 VAL 5 -2.407 0.249 23.442 526 HG21 VAL 5 3HG2 VAL 5 -3.854 1.842 19.776 527 HG22 VAL 5 1HG2 VAL 5 -4.609 2.419 21.259 528 HG23 VAL 5 2HG2 VAL 5 -4.842 0.748 20.743 529 H SER 6 H SER 6 -1.245 4.661 21.047 530 HA SER 6 HA SER 6 -2.599 5.959 23.187 531 HG SER 6 HG SER 6 -1.025 6.989 20.012 532 HB2 SER 6 2HB SER 6 -1.492 7.970 22.017 533 HB3 SER 6 1HB SER 6 -0.470 6.768 22.807 534 H ASP 7 H ASP 7 -4.316 7.279 23.060 535 HA ASP 7 HA ASP 7 -6.086 6.906 20.850 536 HB2 ASP 7 2HB ASP 7 -6.958 6.971 23.150 537 HB3 ASP 7 1HB ASP 7 -6.409 8.630 23.319 538 H LYS 8 H LYS 8 -5.118 7.773 19.200 539 HA LYS 8 HA LYS 8 -5.877 10.080 17.980 540 HB2 LYS 8 2HB LYS 8 -4.461 11.307 19.778 541 HB3 LYS 8 1HB LYS 8 -3.072 10.526 19.035 542 HG2 LYS 8 2HG LYS 8 -3.766 11.551 16.855 543 HG3 LYS 8 1HG LYS 8 -4.981 12.447 17.748 544 HD2 LYS 8 2HD LYS 8 -2.003 12.596 18.210 545 HD3 LYS 8 1HD LYS 8 -2.991 13.770 17.348 546 HE2 LYS 8 2HE LYS 8 -4.254 14.215 19.392 547 HE3 LYS 8 1HE LYS 8 -3.261 13.047 20.261 548 HZ1 LYS 8 3HZ LYS 8 -2.289 15.519 18.959 549 HZ2 LYS 8 1HZ LYS 8 -1.319 14.399 19.771 550 HZ3 LYS 8 2HZ LYS 8 -2.477 15.285 20.620 551 H ARG 9 H ARG 9 -2.623 8.874 18.343 552 HA ARG 9 HA ARG 9 -3.029 7.667 15.713 553 HE ARG 9 HE ARG 9 -1.615 12.241 14.072 554 HB2 ARG 9 2HB ARG 9 -0.481 8.867 16.749 555 HB3 ARG 9 1HB ARG 9 -0.823 8.171 15.173 556 HG2 ARG 9 2HG ARG 9 -2.343 9.951 14.648 557 HG3 ARG 9 1HG ARG 9 -2.115 10.654 16.232 558 HD2 ARG 9 2HD ARG 9 0.277 10.980 15.799 559 HD3 ARG 9 1HD ARG 9 0.112 10.207 14.226 560 HH11 ARG 9 1HH1 ARG 9 1.832 12.044 14.913 561 HH12 ARG 9 2HH1 ARG 9 2.180 13.629 14.402 562 HH21 ARG 9 1HH2 ARG 9 -1.093 14.442 13.370 563 HH22 ARG 9 2HH2 ARG 9 0.517 15.000 13.523 564 H THR 10 H THR 10 -2.585 5.596 15.779 565 HA THR 10 HA THR 10 -0.937 4.700 17.987 566 HB THR 10 HB THR 10 -2.832 3.087 16.265 567 HG1 THR 10 1HG THR 10 -3.251 4.730 18.411 568 HG21 THR 10 3HG2 THR 10 -2.470 1.383 18.014 569 HG22 THR 10 1HG2 THR 10 -1.336 2.496 18.798 570 HG23 THR 10 2HG2 THR 10 -0.959 1.865 17.206 571 H CYS 11 H CYS 11 1.106 4.300 17.378 572 HA CYS 11 HA CYS 11 1.538 3.391 14.618 573 HB2 CYS 11 2HB CYS 11 3.169 5.515 16.070 574 HB3 CYS 11 1HB CYS 11 3.334 5.028 14.386 575 H VAL 12 H VAL 12 3.430 2.014 14.477 576 HA VAL 12 HA VAL 12 4.867 1.381 16.929 577 HB VAL 12 HB VAL 12 2.823 -0.011 17.037 578 HG11 VAL 12 1HG1 VAL 12 2.462 -1.837 15.490 579 HG12 VAL 12 2HG1 VAL 12 3.792 -1.246 14.488 580 HG13 VAL 12 3HG1 VAL 12 2.353 -0.252 14.716 581 HG21 VAL 12 3HG2 VAL 12 5.325 -1.635 16.572 582 HG22 VAL 12 1HG2 VAL 12 3.880 -2.203 17.414 583 HG23 VAL 12 2HG2 VAL 12 4.832 -0.880 18.089 584 H SER 13 H SER 13 6.788 0.017 16.551 585 HA SER 13 HA SER 13 7.620 -0.006 13.738 586 HG SER 13 HG SER 13 8.960 -0.408 16.880 587 HB2 SER 13 2HB SER 13 9.947 0.140 14.684 588 HB3 SER 13 1HB SER 13 8.974 1.603 14.928 589 H LEU 14 H LEU 14 8.057 -1.962 12.927 590 HA LEU 14 HA LEU 14 8.470 -4.200 14.798 591 HG LEU 14 HG LEU 14 5.453 -5.280 12.737 592 HB2 LEU 14 2HB LEU 14 7.585 -4.312 11.907 593 HB3 LEU 14 1HB LEU 14 7.734 -5.665 12.994 594 HD11 LEU 14 1HD1 LEU 14 6.066 -5.750 14.989 595 HD12 LEU 14 2HD1 LEU 14 4.652 -4.687 14.957 596 HD13 LEU 14 3HD1 LEU 14 6.252 -4.035 15.335 597 HD21 LEU 14 3HD2 LEU 14 5.559 -3.066 11.754 598 HD22 LEU 14 1HD2 LEU 14 5.935 -2.366 13.320 599 HD23 LEU 14 2HD2 LEU 14 4.349 -3.099 13.041 600 H THR 15 H THR 15 10.568 -4.863 14.801 601 HA THR 15 HA THR 15 12.063 -4.170 12.434 602 HB THR 15 HB THR 15 13.221 -3.539 14.410 603 HG1 THR 15 1HG THR 15 14.908 -4.128 13.480 604 HG21 THR 15 3HG2 THR 15 12.128 -4.915 16.049 605 HG22 THR 15 1HG2 THR 15 13.872 -5.110 16.196 606 HG23 THR 15 2HG2 THR 15 12.906 -6.379 15.418 607 H THR 16 H THR 16 12.021 -5.490 10.854 608 HA THR 16 HA THR 16 12.483 -8.302 11.261 609 HB THR 16 HB THR 16 10.152 -8.312 11.514 610 HG1 THR 16 1HG THR 16 10.615 -8.943 8.797 611 HG21 THR 16 3HG2 THR 16 8.560 -7.318 9.873 612 HG22 THR 16 1HG2 THR 16 9.936 -6.619 9.013 613 HG23 THR 16 2HG2 THR 16 9.577 -6.104 10.658 614 H GLN 17 H GLN 17 14.169 -8.498 10.032 615 HA GLN 17 HA GLN 17 15.601 -8.513 8.291 616 HB2 GLN 17 2HB GLN 17 14.097 -10.380 7.796 617 HB3 GLN 17 1HB GLN 17 13.077 -9.318 6.845 618 HG2 GLN 17 2HG GLN 17 14.467 -10.686 5.400 619 HG3 GLN 17 1HG GLN 17 14.914 -8.991 5.248 620 HE21 GLN 17 1HE2 GLN 17 16.423 -11.427 4.660 621 HE22 GLN 17 2HE2 GLN 17 17.870 -11.309 5.585 622 H ARG 18 H ARG 18 16.294 -6.389 8.056 623 HA ARG 18 HA ARG 18 14.862 -4.911 5.950 624 HE ARG 18 HE ARG 18 16.464 -3.370 9.983 625 HB2 ARG 18 2HB ARG 18 16.325 -3.557 8.141 626 HB3 ARG 18 1HB ARG 18 15.120 -2.920 6.989 627 HG2 ARG 18 2HG ARG 18 14.102 -2.887 9.116 628 HG3 ARG 18 1HG ARG 18 13.455 -4.335 8.337 629 HD2 ARG 18 2HD ARG 18 14.163 -4.713 10.714 630 HD3 ARG 18 1HD ARG 18 14.994 -5.746 9.551 631 HH11 ARG 18 1HH1 ARG 18 15.716 -6.385 11.726 632 HH12 ARG 18 2HH1 ARG 18 17.242 -6.461 12.464 633 HH21 ARG 18 1HH2 ARG 18 18.509 -3.502 11.014 634 HH22 ARG 18 2HH2 ARG 18 18.883 -4.770 12.070 635 H LEU 19 H LEU 19 16.132 -3.680 4.615 636 HA LEU 19 HA LEU 19 18.901 -4.500 4.371 637 HG LEU 19 HG LEU 19 17.571 -5.314 2.114 638 HB2 LEU 19 2HB LEU 19 17.439 -2.395 2.752 639 HB3 LEU 19 1HB LEU 19 18.952 -3.152 2.351 640 HD11 LEU 19 1HD1 LEU 19 15.350 -3.278 1.977 641 HD12 LEU 19 2HD1 LEU 19 15.534 -4.540 3.193 642 HD13 LEU 19 3HD1 LEU 19 15.223 -4.978 1.521 643 HD21 LEU 19 3HD2 LEU 19 17.186 -3.024 0.198 644 HD22 LEU 19 1HD2 LEU 19 17.045 -4.738 -0.196 645 HD23 LEU 19 2HD2 LEU 19 18.599 -4.073 0.289 646 HA PRO 20 HA PRO 20 20.356 -0.694 6.252 647 HB2 PRO 20 2HB PRO 20 22.444 -0.426 4.210 648 HB3 PRO 20 1HB PRO 20 22.627 -0.706 5.942 649 HG2 PRO 20 2HG PRO 20 23.168 -2.598 4.067 650 HG3 PRO 20 1HG PRO 20 22.631 -2.983 5.710 651 HD2 PRO 20 2HD PRO 20 21.084 -3.033 3.157 652 HD3 PRO 20 1HD PRO 20 20.950 -4.032 4.624 653 H VAL 21 H VAL 21 19.737 1.263 5.893 654 HA VAL 21 HA VAL 21 19.227 2.241 3.170 655 HB VAL 21 HB VAL 21 17.260 2.629 5.468 656 HG11 VAL 21 1HG1 VAL 21 16.997 3.251 2.537 657 HG12 VAL 21 2HG1 VAL 21 17.201 4.422 3.842 658 HG13 VAL 21 3HG1 VAL 21 15.732 3.453 3.750 659 HG21 VAL 21 3HG2 VAL 21 15.744 1.091 4.296 660 HG22 VAL 21 1HG2 VAL 21 17.230 0.281 4.795 661 HG23 VAL 21 2HG2 VAL 21 17.006 0.758 3.111 662 H SER 22 H SER 22 19.709 4.386 2.902 663 HA SER 22 HA SER 22 21.314 5.557 5.002 664 HG SER 22 HG SER 22 21.776 4.466 2.227 665 HB2 SER 22 2HB SER 22 20.801 6.508 2.179 666 HB3 SER 22 1HB SER 22 22.061 7.089 3.266 667 H ARG 23 H ARG 23 18.243 6.132 3.447 668 HA ARG 23 HA ARG 23 17.899 8.559 5.077 669 HE ARG 23 HE ARG 23 19.152 11.015 0.950 670 HB2 ARG 23 2HB ARG 23 16.558 7.807 2.509 671 HB3 ARG 23 1HB ARG 23 16.119 9.188 3.494 672 HG2 ARG 23 2HG ARG 23 18.432 10.057 3.179 673 HG3 ARG 23 1HG ARG 23 18.711 8.724 2.052 674 HD2 ARG 23 2HD ARG 23 16.818 9.451 0.718 675 HD3 ARG 23 1HD ARG 23 16.555 10.751 1.886 676 HH11 ARG 23 1HH1 ARG 23 15.886 11.237 -0.359 677 HH12 ARG 23 2HH1 ARG 23 16.283 12.344 -1.581 678 HH21 ARG 23 1HH2 ARG 23 19.712 12.558 -0.672 679 HH22 ARG 23 2HH2 ARG 23 18.530 13.127 -1.772 680 H ILE 24 H ILE 24 15.638 8.976 5.762 681 HA ILE 24 HA ILE 24 14.298 6.487 6.511 682 HB ILE 24 HB ILE 24 13.838 9.347 7.441 683 HG12 ILE 24 2HG1 ILE 24 15.976 8.474 8.260 684 HG13 ILE 24 1HG1 ILE 24 14.826 8.653 9.581 685 HG21 ILE 24 1HG2 ILE 24 12.612 6.783 8.463 686 HG22 ILE 24 2HG2 ILE 24 11.788 8.047 7.553 687 HG23 ILE 24 3HG2 ILE 24 12.392 8.378 9.176 688 HD11 ILE 24 3HD1 ILE 24 15.549 6.078 8.199 689 HD12 ILE 24 1HD1 ILE 24 14.405 6.252 9.528 690 HD13 ILE 24 2HD1 ILE 24 16.115 6.607 9.785 691 H LYS 25 H LYS 25 12.757 5.906 5.115 692 HA LYS 25 HA LYS 25 11.640 7.983 3.417 693 HB2 LYS 25 2HB LYS 25 11.206 4.988 3.229 694 HB3 LYS 25 1HB LYS 25 10.552 6.183 2.150 695 HG2 LYS 25 2HG LYS 25 13.486 5.641 2.521 696 HG3 LYS 25 1HG LYS 25 12.493 5.076 1.178 697 HD2 LYS 25 2HD LYS 25 11.989 7.462 0.635 698 HD3 LYS 25 1HD LYS 25 13.126 7.936 1.897 699 HE2 LYS 25 2HE LYS 25 14.229 8.034 -0.243 700 HE3 LYS 25 1HE LYS 25 14.908 6.720 0.711 701 HZ1 LYS 25 3HZ LYS 25 14.543 6.081 -1.583 702 HZ2 LYS 25 1HZ LYS 25 12.907 6.423 -1.465 703 HZ3 LYS 25 2HZ LYS 25 13.575 5.128 -0.608 704 H THR 26 H THR 26 9.487 8.405 3.212 705 HA THR 26 HA THR 26 7.711 7.399 5.317 706 HB THR 26 HB THR 26 8.171 10.271 4.469 707 HG1 THR 26 1HG THR 26 9.314 8.685 6.260 708 HG21 THR 26 3HG2 THR 26 6.341 9.117 6.585 709 HG22 THR 26 1HG2 THR 26 5.807 9.799 5.045 710 HG23 THR 26 2HG2 THR 26 6.576 10.829 6.256 711 H TYR 27 H TYR 27 5.832 6.766 4.497 712 HA TYR 27 HA TYR 27 5.083 7.760 1.884 713 HD1 TYR 27 1HD TYR 27 7.604 4.879 2.489 714 HD2 TYR 27 2HD TYR 27 5.002 6.201 -0.581 715 HE1 TYR 27 1HE TYR 27 9.456 4.783 0.904 716 HE2 TYR 27 2HE TYR 27 6.790 6.148 -2.180 717 HH TYR 27 HH TYR 27 9.914 4.711 -1.427 718 HB2 TYR 27 2HB TYR 27 5.171 4.886 2.762 719 HB3 TYR 27 1HB TYR 27 4.131 5.458 1.452 720 H THR 28 H THR 28 3.196 8.433 1.805 721 HA THR 28 HA THR 28 1.514 7.759 4.076 722 HB THR 28 HB THR 28 1.462 10.425 2.654 723 HG1 THR 28 1HG THR 28 3.185 9.306 4.435 724 HG21 THR 28 3HG2 THR 28 0.519 9.417 5.294 725 HG22 THR 28 1HG2 THR 28 -0.542 9.774 3.916 726 HG23 THR 28 2HG2 THR 28 0.348 11.084 4.739 727 H ILE 29 H ILE 29 -0.423 6.999 3.685 728 HA ILE 29 HA ILE 29 -1.610 7.352 1.029 729 HB ILE 29 HB ILE 29 -1.497 4.888 2.751 730 HG12 ILE 29 2HG1 ILE 29 -0.712 5.447 -0.106 731 HG13 ILE 29 1HG1 ILE 29 0.367 5.205 1.261 732 HG21 ILE 29 1HG2 ILE 29 -3.070 3.754 1.222 733 HG22 ILE 29 2HG2 ILE 29 -3.320 5.271 0.350 734 HG23 ILE 29 3HG2 ILE 29 -3.835 5.108 2.029 735 HD11 ILE 29 3HD1 ILE 29 0.305 3.244 -0.106 736 HD12 ILE 29 1HD1 ILE 29 -1.462 3.185 0.027 737 HD13 ILE 29 2HD1 ILE 29 -0.464 2.921 1.457 738 H THR 30 H THR 30 -3.574 8.170 1.023 739 HA THR 30 HA THR 30 -4.956 8.383 3.578 740 HB THR 30 HB THR 30 -4.395 10.555 2.621 741 HG1 THR 30 1HG THR 30 -7.056 10.608 1.966 742 HG21 THR 30 3HG2 THR 30 -5.927 9.641 0.216 743 HG22 THR 30 1HG2 THR 30 -4.192 9.943 0.276 744 HG23 THR 30 2HG2 THR 30 -5.321 11.295 0.450 745 H GLU 31 H GLU 31 -6.698 7.224 3.795 746 HA GLU 31 HA GLU 31 -8.192 6.427 1.422 747 HB2 GLU 31 2HB GLU 31 -6.546 4.661 1.740 748 HB3 GLU 31 1HB GLU 31 -7.049 4.464 3.405 749 HG2 GLU 31 2HG GLU 31 -7.888 2.700 1.925 750 HG3 GLU 31 1HG GLU 31 -9.188 3.608 2.700 751 H GLY 32 H GLY 32 -9.957 7.597 2.065 752 HA2 GLY 32 2HA GLY 32 -12.135 7.545 2.911 753 HA3 GLY 32 1HA GLY 32 -11.684 6.112 3.785 754 H SER 33 H SER 33 -10.218 6.559 5.671 755 HA SER 33 HA SER 33 -11.161 8.949 7.124 756 HG SER 33 HG SER 33 -11.214 8.266 9.488 757 HB2 SER 33 2HB SER 33 -12.793 7.246 7.611 758 HB3 SER 33 1HB SER 33 -11.534 6.084 8.004 759 H LEU 34 H LEU 34 -8.457 7.206 6.289 760 HA LEU 34 HA LEU 34 -7.133 8.119 8.691 761 HG LEU 34 HG LEU 34 -5.917 5.040 6.910 762 HB2 LEU 34 2HB LEU 34 -5.935 6.054 9.119 763 HB3 LEU 34 1HB LEU 34 -7.662 5.778 9.226 764 HD11 LEU 34 1HD1 LEU 34 -6.136 2.738 7.822 765 HD12 LEU 34 2HD1 LEU 34 -6.996 3.401 9.210 766 HD13 LEU 34 3HD1 LEU 34 -5.305 3.824 8.936 767 HD21 LEU 34 3HD2 LEU 34 -8.291 5.340 6.354 768 HD22 LEU 34 1HD2 LEU 34 -8.734 4.209 7.620 769 HD23 LEU 34 2HD2 LEU 34 -7.825 3.654 6.211 770 H ARG 35 H ARG 35 -5.171 8.711 8.502 771 HA ARG 35 HA ARG 35 -3.889 8.680 5.860 772 HE ARG 35 HE ARG 35 -2.474 11.750 5.425 773 HB2 ARG 35 2HB ARG 35 -3.109 10.102 8.422 774 HB3 ARG 35 1HB ARG 35 -2.387 10.348 6.839 775 HG2 ARG 35 2HG ARG 35 -5.241 11.000 7.557 776 HG3 ARG 35 1HG ARG 35 -3.913 12.154 7.538 777 HD2 ARG 35 2HD ARG 35 -4.884 10.567 5.165 778 HD3 ARG 35 1HD ARG 35 -5.285 12.250 5.500 779 HH11 ARG 35 1HH1 ARG 35 -5.308 12.574 3.451 780 HH12 ARG 35 2HH1 ARG 35 -4.404 13.213 2.166 781 HH21 ARG 35 1HH2 ARG 35 -1.223 12.661 3.626 782 HH22 ARG 35 2HH2 ARG 35 -2.064 13.231 2.259 783 H ALA 36 H ALA 36 -2.580 6.919 5.604 784 HA ALA 36 HA ALA 36 -1.390 5.740 8.006 785 HB1 ALA 36 1HB ALA 36 -2.777 4.237 6.657 786 HB2 ALA 36 2HB ALA 36 -1.086 3.726 6.643 787 HB3 ALA 36 3HB ALA 36 -1.768 4.567 5.247 788 H VAL 37 H VAL 37 0.645 6.134 8.377 789 HA VAL 37 HA VAL 37 2.348 6.959 6.148 790 HB VAL 37 HB VAL 37 2.534 7.728 9.084 791 HG11 VAL 37 1HG1 VAL 37 4.392 9.170 8.402 792 HG12 VAL 37 2HG1 VAL 37 4.295 8.509 6.770 793 HG13 VAL 37 3HG1 VAL 37 4.756 7.465 8.117 794 HG21 VAL 37 3HG2 VAL 37 0.784 8.901 7.807 795 HG22 VAL 37 1HG2 VAL 37 2.022 9.381 6.645 796 HG23 VAL 37 2HG2 VAL 37 2.105 9.980 8.303 797 H ILE 38 H ILE 38 4.071 5.704 5.726 798 HA ILE 38 HA ILE 38 4.852 3.687 7.659 799 HB ILE 38 HB ILE 38 4.767 3.812 4.667 800 HG12 ILE 38 2HG1 ILE 38 3.717 1.809 6.632 801 HG13 ILE 38 1HG1 ILE 38 2.786 3.110 5.891 802 HG21 ILE 38 1HG2 ILE 38 6.228 1.698 6.251 803 HG22 ILE 38 2HG2 ILE 38 6.974 2.913 5.194 804 HG23 ILE 38 3HG2 ILE 38 5.884 1.710 4.515 805 HD11 ILE 38 3HD1 ILE 38 3.175 2.268 3.803 806 HD12 ILE 38 1HD1 ILE 38 2.449 0.978 4.792 807 HD13 ILE 38 2HD1 ILE 38 4.185 0.947 4.381 808 H PHE 39 H PHE 39 6.852 3.753 8.370 809 HA PHE 39 HA PHE 39 8.739 5.636 7.125 810 HD1 PHE 39 1HD PHE 39 9.288 8.046 8.701 811 HD2 PHE 39 2HD PHE 39 6.520 5.499 10.692 812 HE1 PHE 39 1HE PHE 39 7.957 10.006 9.359 813 HE2 PHE 39 2HE PHE 39 5.185 7.455 11.352 814 HZ PHE 39 HZ PHE 39 5.904 9.714 10.685 815 HB2 PHE 39 2HB PHE 39 8.627 4.679 9.999 816 HB3 PHE 39 1HB PHE 39 9.863 5.726 9.325 817 H ILE 40 H ILE 40 10.233 4.716 6.090 818 HA ILE 40 HA ILE 40 10.909 1.912 6.633 819 HB ILE 40 HB ILE 40 11.848 3.684 4.386 820 HG12 ILE 40 2HG1 ILE 40 9.427 3.371 4.041 821 HG13 ILE 40 1HG1 ILE 40 10.352 2.371 2.933 822 HG21 ILE 40 1HG2 ILE 40 12.546 1.610 3.287 823 HG22 ILE 40 2HG2 ILE 40 12.102 0.719 4.744 824 HG23 ILE 40 3HG2 ILE 40 13.394 1.918 4.802 825 HD11 ILE 40 3HD1 ILE 40 9.816 0.392 4.104 826 HD12 ILE 40 1HD1 ILE 40 8.355 1.355 3.854 827 HD13 ILE 40 2HD1 ILE 40 9.096 1.344 5.443 828 H THR 41 H THR 41 12.567 1.567 7.942 829 HA THR 41 HA THR 41 14.874 3.254 7.652 830 HB THR 41 HB THR 41 13.860 4.179 9.638 831 HG1 THR 41 1HG THR 41 15.630 4.094 10.813 832 HG21 THR 41 3HG2 THR 41 12.338 2.350 10.226 833 HG22 THR 41 1HG2 THR 41 13.301 2.831 11.622 834 HG23 THR 41 2HG2 THR 41 13.707 1.363 10.734 835 H LYS 42 H LYS 42 16.759 2.243 8.425 836 HA LYS 42 HA LYS 42 16.973 -0.447 7.558 837 HB2 LYS 42 2HB LYS 42 19.376 -0.208 8.364 838 HB3 LYS 42 1HB LYS 42 18.811 0.948 7.166 839 HG2 LYS 42 2HG LYS 42 20.135 2.138 8.747 840 HG3 LYS 42 1HG LYS 42 18.458 2.597 9.014 841 HD2 LYS 42 2HD LYS 42 18.459 0.819 10.853 842 HD3 LYS 42 1HD LYS 42 20.214 0.807 10.676 843 HE2 LYS 42 2HE LYS 42 18.465 3.129 11.373 844 HE3 LYS 42 1HE LYS 42 19.543 2.274 12.467 845 HZ1 LYS 42 3HZ LYS 42 21.448 3.045 11.135 846 HZ2 LYS 42 1HZ LYS 42 20.568 4.345 11.713 847 HZ3 LYS 42 2HZ LYS 42 20.418 3.890 10.102 848 H ARG 43 H ARG 43 16.138 0.895 10.536 849 HA ARG 43 HA ARG 43 17.106 -1.386 12.052 850 HE ARG 43 HE ARG 43 16.868 -1.693 16.435 851 HB2 ARG 43 2HB ARG 43 17.242 1.076 12.812 852 HB3 ARG 43 1HB ARG 43 15.516 0.971 13.091 853 HG2 ARG 43 2HG ARG 43 17.511 -0.841 14.431 854 HG3 ARG 43 1HG ARG 43 17.027 0.703 15.110 855 HD2 ARG 43 2HD ARG 43 14.767 -0.068 15.351 856 HD3 ARG 43 1HD ARG 43 15.129 -1.545 14.457 857 HH11 ARG 43 1HH1 ARG 43 13.413 -0.869 16.582 858 HH12 ARG 43 2HH1 ARG 43 13.149 -1.674 18.054 859 HH21 ARG 43 1HH2 ARG 43 16.471 -2.817 18.487 860 HH22 ARG 43 2HH2 ARG 43 14.901 -2.785 19.150 861 H GLY 44 H GLY 44 14.277 -0.377 10.396 862 HA2 GLY 44 2HA GLY 44 12.924 -2.771 10.755 863 HA3 GLY 44 1HA GLY 44 12.404 -1.744 12.066 864 H LEU 45 H LEU 45 10.383 -2.347 10.893 865 HA LEU 45 HA LEU 45 9.759 -0.411 8.788 866 HG LEU 45 HG LEU 45 7.341 -3.059 7.301 867 HB2 LEU 45 2HB LEU 45 9.516 -2.717 8.030 868 HB3 LEU 45 1HB LEU 45 8.658 -3.159 9.474 869 HD11 LEU 45 1HD1 LEU 45 5.306 -2.071 8.295 870 HD12 LEU 45 2HD1 LEU 45 6.262 -1.478 9.653 871 HD13 LEU 45 3HD1 LEU 45 6.104 -3.208 9.354 872 HD21 LEU 45 3HD2 LEU 45 7.586 -0.085 7.745 873 HD22 LEU 45 1HD2 LEU 45 6.503 -0.863 6.588 874 HD23 LEU 45 2HD2 LEU 45 8.253 -1.007 6.396 875 H LYS 46 H LYS 46 8.554 1.221 9.520 876 HA LYS 46 HA LYS 46 6.952 0.670 11.875 877 HB2 LYS 46 2HB LYS 46 8.753 2.082 12.594 878 HB3 LYS 46 1HB LYS 46 8.483 3.200 11.269 879 HG2 LYS 46 2HG LYS 46 6.364 3.889 12.215 880 HG3 LYS 46 1HG LYS 46 6.498 2.667 13.475 881 HD2 LYS 46 2HD LYS 46 8.362 3.727 14.398 882 HD3 LYS 46 1HD LYS 46 8.426 4.927 13.078 883 HE2 LYS 46 2HE LYS 46 6.232 5.764 13.798 884 HE3 LYS 46 1HE LYS 46 6.187 4.573 15.092 885 HZ1 LYS 46 3HZ LYS 46 8.167 6.783 14.838 886 HZ2 LYS 46 1HZ LYS 46 8.116 5.669 16.100 887 HZ3 LYS 46 2HZ LYS 46 6.866 6.770 15.887 888 H VAL 47 H VAL 47 5.063 1.498 12.042 889 HA VAL 47 HA VAL 47 3.911 2.717 9.648 890 HB VAL 47 HB VAL 47 3.323 0.294 9.781 891 HG11 VAL 47 1HG1 VAL 47 1.993 1.081 12.364 892 HG12 VAL 47 2HG1 VAL 47 3.334 -0.040 12.169 893 HG13 VAL 47 3HG1 VAL 47 1.729 -0.454 11.547 894 HG21 VAL 47 3HG2 VAL 47 1.813 1.829 8.651 895 HG22 VAL 47 1HG2 VAL 47 1.019 2.206 10.180 896 HG23 VAL 47 2HG2 VAL 47 0.887 0.587 9.496 897 H CYS 48 H CYS 48 2.460 4.298 10.082 898 HA CYS 48 HA CYS 48 1.778 4.704 12.879 899 HB2 CYS 48 2HB CYS 48 3.826 6.011 12.269 900 HB3 CYS 48 1HB CYS 48 2.873 6.844 11.049 901 H ALA 49 H ALA 49 -0.295 5.414 13.084 902 HA ALA 49 HA ALA 49 -1.651 6.042 10.558 903 HB1 ALA 49 1HB ALA 49 -3.658 5.012 11.466 904 HB2 ALA 49 2HB ALA 49 -2.806 4.652 12.967 905 HB3 ALA 49 3HB ALA 49 -2.316 3.865 11.467 906 H ASP 50 H ASP 50 -2.426 7.950 10.463 907 HA ASP 50 HA ASP 50 -3.069 9.411 12.914 908 HB2 ASP 50 2HB ASP 50 -1.198 10.450 11.722 909 HB3 ASP 50 1HB ASP 50 -2.115 10.451 10.225 910 HA PRO 51 HA PRO 51 -7.074 8.793 11.288 911 HB2 PRO 51 2HB PRO 51 -8.495 9.990 13.198 912 HB3 PRO 51 1HB PRO 51 -7.637 8.473 13.494 913 HG2 PRO 51 2HG PRO 51 -6.851 11.264 14.223 914 HG3 PRO 51 1HG PRO 51 -6.717 9.778 15.178 915 HD2 PRO 51 2HD PRO 51 -4.629 10.885 13.789 916 HD3 PRO 51 1HD PRO 51 -4.766 9.157 14.174 917 H GLN 52 H GLN 52 -8.178 9.779 9.823 918 HA GLN 52 HA GLN 52 -9.170 11.311 8.518 919 HB2 GLN 52 2HB GLN 52 -9.337 12.859 11.097 920 HB3 GLN 52 1HB GLN 52 -10.342 13.108 9.680 921 HG2 GLN 52 2HG GLN 52 -11.227 10.841 9.936 922 HG3 GLN 52 1HG GLN 52 -10.215 10.618 11.345 923 HE21 GLN 52 1HE2 GLN 52 -11.859 13.652 10.633 924 HE22 GLN 52 2HE2 GLN 52 -12.970 13.559 11.951 925 H ALA 53 H ALA 53 -9.260 13.981 8.426 926 HA ALA 53 HA ALA 53 -6.882 15.428 8.736 927 HB1 ALA 53 1HB ALA 53 -6.471 15.764 6.282 928 HB2 ALA 53 2HB ALA 53 -7.646 14.503 5.936 929 HB3 ALA 53 3HB ALA 53 -6.146 14.099 6.769 930 H THR 54 H THR 54 -7.564 17.372 6.759 931 HA THR 54 HA THR 54 -10.073 18.192 7.833 932 HB THR 54 HB THR 54 -8.476 19.471 5.585 933 HG1 THR 54 1HG THR 54 -7.965 19.222 8.191 934 HG21 THR 54 3HG2 THR 54 -9.723 21.508 6.199 935 HG22 THR 54 1HG2 THR 54 -10.609 20.599 7.425 936 HG23 THR 54 2HG2 THR 54 -10.828 20.224 5.716 937 H TRP 55 H TRP 55 -11.378 16.505 7.235 938 HA TRP 55 HA TRP 55 -12.907 15.393 6.109 939 HD1 TRP 55 HD TRP 55 -12.967 19.351 6.634 940 HE1 TRP 55 1HE TRP 55 -14.893 19.828 8.293 941 HE3 TRP 55 3HE TRP 55 -16.158 15.586 5.294 942 HZ2 TRP 55 2HZ TRP 55 -17.415 18.757 8.928 943 HZ3 TRP 55 3HZ TRP 55 -18.307 15.381 6.473 944 HH2 TRP 55 HH TRP 55 -18.922 16.934 8.252 945 HB2 TRP 55 2HB TRP 55 -12.918 17.854 4.359 946 HB3 TRP 55 1HB TRP 55 -14.108 16.557 4.237 947 H VAL 56 H VAL 56 -11.595 13.684 5.616 948 HA VAL 56 HA VAL 56 -10.167 13.578 3.148 949 HB VAL 56 HB VAL 56 -10.933 11.295 5.003 950 HG11 VAL 56 1HG1 VAL 56 -10.398 10.510 2.750 951 HG12 VAL 56 2HG1 VAL 56 -9.142 10.040 3.895 952 HG13 VAL 56 3HG1 VAL 56 -8.873 11.395 2.800 953 HG21 VAL 56 3HG2 VAL 56 -8.639 11.451 5.840 954 HG22 VAL 56 1HG2 VAL 56 -9.516 12.962 6.108 955 HG23 VAL 56 2HG2 VAL 56 -8.356 12.836 4.787 956 H ARG 57 H ARG 57 -11.394 13.810 1.425 957 HA ARG 57 HA ARG 57 -13.494 11.828 1.009 958 HE ARG 57 HE ARG 57 -14.498 15.805 -1.437 959 HB2 ARG 57 2HB ARG 57 -14.518 14.021 1.352 960 HB3 ARG 57 1HB ARG 57 -13.500 14.708 0.095 961 HG2 ARG 57 2HG ARG 57 -14.584 13.299 -1.566 962 HG3 ARG 57 1HG ARG 57 -15.586 12.578 -0.306 963 HD2 ARG 57 2HD ARG 57 -16.797 14.319 -1.531 964 HD3 ARG 57 1HD ARG 57 -16.589 14.746 0.161 965 HH11 ARG 57 1HH1 ARG 57 -17.885 16.307 -0.625 966 HH12 ARG 57 2HH1 ARG 57 -17.852 17.990 -0.864 967 HH21 ARG 57 1HH2 ARG 57 -14.432 18.098 -1.804 968 HH22 ARG 57 2HH2 ARG 57 -15.833 19.042 -1.584 969 H ASP 58 H ASP 58 -12.510 10.449 -0.230 970 HA ASP 58 HA ASP 58 -10.685 11.330 -2.283 971 HB2 ASP 58 2HB ASP 58 -11.458 8.542 -1.400 972 HB3 ASP 58 1HB ASP 58 -10.279 8.899 -2.651 973 H VAL 59 H VAL 59 -11.872 12.226 -3.849 974 HA VAL 59 HA VAL 59 -14.047 10.681 -5.001 975 HB VAL 59 HB VAL 59 -14.354 12.602 -6.542 976 HG11 VAL 59 1HG1 VAL 59 -15.081 14.248 -4.872 977 HG12 VAL 59 2HG1 VAL 59 -14.143 13.401 -3.646 978 HG13 VAL 59 3HG1 VAL 59 -15.522 12.603 -4.402 979 HG21 VAL 59 3HG2 VAL 59 -12.060 13.854 -5.024 980 HG22 VAL 59 1HG2 VAL 59 -13.072 14.665 -6.219 981 HG23 VAL 59 2HG2 VAL 59 -12.023 13.336 -6.710 982 H VAL 60 H VAL 60 -10.768 11.088 -5.287 983 HA VAL 60 HA VAL 60 -10.686 9.340 -7.516 984 HB VAL 60 HB VAL 60 -10.532 11.539 -8.628 985 HG11 VAL 60 1HG1 VAL 60 -9.747 12.926 -6.842 986 HG12 VAL 60 2HG1 VAL 60 -8.674 13.071 -8.238 987 HG13 VAL 60 3HG1 VAL 60 -8.189 12.099 -6.851 988 HG21 VAL 60 3HG2 VAL 60 -9.248 9.733 -9.595 989 HG22 VAL 60 1HG2 VAL 60 -7.892 10.110 -8.538 990 HG23 VAL 60 2HG2 VAL 60 -8.376 11.256 -9.791 Start of MODEL 20 1 HA VAL 1 HA VAL 1 14.837 -6.642 21.511 2 HB VAL 1 HB VAL 1 13.688 -8.382 20.205 3 H1 VAL 1 1HT VAL 1 14.383 -4.362 21.158 4 H2 VAL 1 2HT VAL 1 13.016 -5.091 21.788 5 H3 VAL 1 3HT VAL 1 13.091 -4.700 20.152 6 HG11 VAL 1 2HG1 VAL 1 11.788 -6.750 21.854 7 HG12 VAL 1 3HG1 VAL 1 12.926 -7.947 22.461 8 HG13 VAL 1 1HG1 VAL 1 11.582 -8.447 21.429 9 HG21 VAL 1 1HG2 VAL 1 11.591 -7.913 19.018 10 HG22 VAL 1 2HG2 VAL 1 12.939 -7.020 18.314 11 HG23 VAL 1 3HG2 VAL 1 11.790 -6.193 19.362 12 H GLY 2 H GLY 2 15.657 -8.200 19.527 13 HA2 GLY 2 2HA GLY 2 17.214 -6.338 17.934 14 HA3 GLY 2 1HA GLY 2 17.561 -8.040 18.192 15 H SER 3 H SER 3 17.327 -6.379 15.712 16 HA SER 3 HA SER 3 14.949 -7.423 14.424 17 HG SER 3 HG SER 3 15.938 -4.887 15.130 18 HB2 SER 3 2HB SER 3 17.176 -5.718 13.315 19 HB3 SER 3 1HB SER 3 15.603 -6.012 12.572 20 H GLU 4 H GLU 4 18.217 -8.346 14.804 21 HA GLU 4 HA GLU 4 18.639 -9.539 12.255 22 HB2 GLU 4 2HB GLU 4 20.051 -10.199 14.836 23 HB3 GLU 4 1HB GLU 4 20.589 -10.620 13.222 24 HG2 GLU 4 2HG GLU 4 20.430 -7.893 14.457 25 HG3 GLU 4 1HG GLU 4 21.871 -8.782 13.993 26 H VAL 5 H VAL 5 17.102 -10.638 15.150 27 HA VAL 5 HA VAL 5 17.140 -13.381 14.137 28 HB VAL 5 HB VAL 5 16.467 -14.085 16.422 29 HG11 VAL 5 1HG1 VAL 5 18.974 -12.408 16.289 30 HG12 VAL 5 2HG1 VAL 5 18.821 -14.093 15.792 31 HG13 VAL 5 3HG1 VAL 5 18.638 -13.655 17.490 32 HG21 VAL 5 3HG2 VAL 5 15.351 -12.047 17.147 33 HG22 VAL 5 1HG2 VAL 5 16.883 -11.174 17.101 34 HG23 VAL 5 2HG2 VAL 5 16.645 -12.471 18.270 35 H SER 6 H SER 6 15.243 -10.878 13.728 36 HA SER 6 HA SER 6 12.698 -11.878 14.484 37 HG SER 6 HG SER 6 12.691 -8.483 14.249 38 HB2 SER 6 2HB SER 6 13.505 -9.817 12.468 39 HB3 SER 6 1HB SER 6 11.857 -10.063 13.067 40 H ASP 7 H ASP 7 11.599 -13.422 13.547 41 HA ASP 7 HA ASP 7 12.553 -14.549 11.055 42 HB2 ASP 7 2HB ASP 7 11.196 -16.471 11.642 43 HB3 ASP 7 1HB ASP 7 12.217 -16.015 13.001 44 H LYS 8 H LYS 8 11.211 -15.130 9.411 45 HA LYS 8 HA LYS 8 9.694 -14.939 7.785 46 HB2 LYS 8 2HB LYS 8 7.709 -14.588 10.010 47 HB3 LYS 8 1HB LYS 8 7.362 -15.057 8.354 48 HG2 LYS 8 2HG LYS 8 8.647 -17.114 8.687 49 HG3 LYS 8 1HG LYS 8 8.961 -16.631 10.355 50 HD2 LYS 8 2HD LYS 8 6.504 -16.556 10.734 51 HD3 LYS 8 1HD LYS 8 6.279 -17.210 9.109 52 HE2 LYS 8 2HE LYS 8 6.160 -18.985 10.747 53 HE3 LYS 8 1HE LYS 8 7.593 -19.188 9.746 54 HZ1 LYS 8 3HZ LYS 8 8.078 -19.544 12.081 55 HZ2 LYS 8 1HZ LYS 8 7.536 -18.001 12.465 56 HZ3 LYS 8 2HZ LYS 8 8.921 -18.189 11.536 57 H ARG 9 H ARG 9 7.640 -12.859 9.503 58 HA ARG 9 HA ARG 9 8.275 -10.498 8.096 59 HE ARG 9 HE ARG 9 6.362 -12.026 4.265 60 HB2 ARG 9 2HB ARG 9 6.301 -10.623 6.569 61 HB3 ARG 9 1HB ARG 9 7.565 -11.779 6.187 62 HG2 ARG 9 2HG ARG 9 6.151 -13.310 7.728 63 HG3 ARG 9 1HG ARG 9 4.809 -12.254 7.203 64 HD2 ARG 9 2HD ARG 9 6.749 -13.842 5.627 65 HD3 ARG 9 1HD ARG 9 5.012 -14.195 5.732 66 HH11 ARG 9 1HH1 ARG 9 3.373 -13.861 4.812 67 HH12 ARG 9 2HH1 ARG 9 2.682 -13.508 3.303 68 HH21 ARG 9 1HH2 ARG 9 5.442 -11.563 2.147 69 HH22 ARG 9 2HH2 ARG 9 3.893 -12.155 1.745 70 H THR 10 H THR 10 7.446 -8.984 9.461 71 HA THR 10 HA THR 10 5.710 -9.884 11.570 72 HB THR 10 HB THR 10 6.401 -7.622 12.498 73 HG1 THR 10 1HG THR 10 7.013 -6.880 10.343 74 HG21 THR 10 3HG2 THR 10 8.654 -8.438 13.103 75 HG22 THR 10 1HG2 THR 10 8.569 -9.623 11.801 76 HG23 THR 10 2HG2 THR 10 7.475 -9.750 13.175 77 H CYS 11 H CYS 11 3.732 -8.913 12.086 78 HA CYS 11 HA CYS 11 2.718 -6.799 10.332 79 HB2 CYS 11 2HB CYS 11 1.217 -9.351 11.046 80 HB3 CYS 11 1HB CYS 11 0.522 -7.970 10.216 81 H VAL 12 H VAL 12 1.126 -5.501 11.376 82 HA VAL 12 HA VAL 12 0.415 -6.091 14.187 83 HB VAL 12 HB VAL 12 1.570 -3.399 13.350 84 HG11 VAL 12 1HG1 VAL 12 0.692 -4.364 16.068 85 HG12 VAL 12 2HG1 VAL 12 -0.131 -3.169 15.062 86 HG13 VAL 12 3HG1 VAL 12 1.468 -2.817 15.720 87 HG21 VAL 12 3HG2 VAL 12 2.775 -5.452 15.177 88 HG22 VAL 12 1HG2 VAL 12 3.452 -3.868 14.789 89 HG23 VAL 12 2HG2 VAL 12 3.283 -5.109 13.525 90 H SER 13 H SER 13 -1.584 -5.430 14.736 91 HA SER 13 HA SER 13 -2.998 -3.734 12.826 92 HG SER 13 HG SER 13 -4.037 -5.468 15.768 93 HB2 SER 13 2HB SER 13 -5.061 -4.774 13.804 94 HB3 SER 13 1HB SER 13 -4.019 -5.919 12.965 95 H LEU 14 H LEU 14 -3.539 -1.803 13.507 96 HA LEU 14 HA LEU 14 -3.472 -1.206 16.391 97 HG LEU 14 HG LEU 14 -0.939 -0.866 14.711 98 HB2 LEU 14 2HB LEU 14 -2.851 0.560 14.025 99 HB3 LEU 14 1HB LEU 14 -2.977 1.143 15.663 100 HD11 LEU 14 1HD1 LEU 14 -0.712 2.064 15.361 101 HD12 LEU 14 2HD1 LEU 14 -0.601 1.358 13.753 102 HD13 LEU 14 3HD1 LEU 14 0.637 0.991 14.959 103 HD21 LEU 14 3HD2 LEU 14 0.074 -0.437 16.910 104 HD22 LEU 14 1HD2 LEU 14 -1.543 -1.128 17.057 105 HD23 LEU 14 2HD2 LEU 14 -1.303 0.593 17.316 106 H THR 15 H THR 15 -5.404 -0.825 17.177 107 HA THR 15 HA THR 15 -7.430 0.218 15.393 108 HB THR 15 HB THR 15 -8.963 -0.542 17.328 109 HG1 THR 15 1HG THR 15 -7.464 -0.948 18.952 110 HG21 THR 15 3HG2 THR 15 -7.414 -2.617 15.753 111 HG22 THR 15 1HG2 THR 15 -8.816 -1.716 15.170 112 HG23 THR 15 2HG2 THR 15 -8.994 -2.860 16.498 113 H THR 16 H THR 16 -7.801 2.298 15.542 114 HA THR 16 HA THR 16 -8.086 3.542 18.079 115 HB THR 16 HB THR 16 -5.676 3.666 17.945 116 HG1 THR 16 1HG THR 16 -7.167 5.694 18.387 117 HG21 THR 16 3HG2 THR 16 -5.357 3.475 15.538 118 HG22 THR 16 1HG2 THR 16 -4.519 4.913 16.133 119 HG23 THR 16 2HG2 THR 16 -6.068 5.067 15.297 120 H GLN 17 H GLN 17 -9.840 4.581 17.819 121 HA GLN 17 HA GLN 17 -11.527 5.885 17.043 122 HB2 GLN 17 2HB GLN 17 -9.867 7.478 17.896 123 HB3 GLN 17 1HB GLN 17 -9.157 7.596 16.301 124 HG2 GLN 17 2HG GLN 17 -11.210 8.618 15.465 125 HG3 GLN 17 1HG GLN 17 -11.938 8.469 17.064 126 HE21 GLN 17 1HE2 GLN 17 -12.194 10.670 17.312 127 HE22 GLN 17 2HE2 GLN 17 -10.864 11.732 17.595 128 H ARG 18 H ARG 18 -12.205 4.435 15.410 129 HA ARG 18 HA ARG 18 -11.740 5.510 12.716 130 HE ARG 18 HE ARG 18 -8.175 2.916 10.875 131 HB2 ARG 18 2HB ARG 18 -12.124 2.596 13.366 132 HB3 ARG 18 1HB ARG 18 -12.050 3.385 11.787 133 HG2 ARG 18 2HG ARG 18 -9.778 3.253 13.746 134 HG3 ARG 18 1HG ARG 18 -10.000 2.172 12.376 135 HD2 ARG 18 2HD ARG 18 -10.082 4.299 10.966 136 HD3 ARG 18 1HD ARG 18 -9.400 5.100 12.384 137 HH11 ARG 18 1HH1 ARG 18 -7.778 5.440 13.275 138 HH12 ARG 18 2HH1 ARG 18 -6.132 5.735 12.996 139 HH21 ARG 18 1HH2 ARG 18 -5.859 3.251 10.447 140 HH22 ARG 18 2HH2 ARG 18 -4.995 4.431 11.310 141 H LEU 19 H LEU 19 -13.376 5.497 11.337 142 HA LEU 19 HA LEU 19 -16.055 5.081 12.415 143 HG LEU 19 HG LEU 19 -15.519 5.680 8.703 144 HB2 LEU 19 2HB LEU 19 -16.841 6.453 10.612 145 HB3 LEU 19 1HB LEU 19 -15.450 7.274 11.274 146 HD11 LEU 19 1HD1 LEU 19 -15.251 7.853 7.598 147 HD12 LEU 19 2HD1 LEU 19 -15.402 8.640 9.171 148 HD13 LEU 19 3HD1 LEU 19 -16.758 7.729 8.510 149 HD21 LEU 19 3HD2 LEU 19 -13.310 6.592 8.234 150 HD22 LEU 19 1HD2 LEU 19 -13.281 5.604 9.685 151 HD23 LEU 19 2HD2 LEU 19 -13.259 7.367 9.824 152 HA PRO 20 HA PRO 20 -16.472 1.342 9.957 153 HB2 PRO 20 2HB PRO 20 -18.945 2.478 8.768 154 HB3 PRO 20 1HB PRO 20 -18.714 0.946 9.619 155 HG2 PRO 20 2HG PRO 20 -19.964 2.974 10.799 156 HG3 PRO 20 1HG PRO 20 -18.852 1.933 11.706 157 HD2 PRO 20 2HD PRO 20 -18.396 4.707 10.658 158 HD3 PRO 20 1HD PRO 20 -17.858 3.925 12.167 159 H VAL 21 H VAL 21 -15.674 0.793 8.104 160 HA VAL 21 HA VAL 21 -15.526 2.770 5.925 161 HB VAL 21 HB VAL 21 -13.341 1.920 6.928 162 HG11 VAL 21 1HG1 VAL 21 -13.931 -0.395 7.288 163 HG12 VAL 21 2HG1 VAL 21 -12.494 -0.268 6.269 164 HG13 VAL 21 3HG1 VAL 21 -14.058 -0.645 5.551 165 HG21 VAL 21 3HG2 VAL 21 -12.183 1.651 4.777 166 HG22 VAL 21 1HG2 VAL 21 -13.359 2.965 4.736 167 HG23 VAL 21 2HG2 VAL 21 -13.739 1.412 3.985 168 H SER 22 H SER 22 -15.954 2.033 3.754 169 HA SER 22 HA SER 22 -17.979 -0.010 3.780 170 HG SER 22 HG SER 22 -19.087 1.915 3.529 171 HB2 SER 22 2HB SER 22 -17.089 1.823 1.553 172 HB3 SER 22 1HB SER 22 -18.495 0.761 1.526 173 H ARG 23 H ARG 23 -14.742 0.407 2.415 174 HA ARG 23 HA ARG 23 -14.883 -2.396 1.542 175 HE ARG 23 HE ARG 23 -17.426 -1.145 -2.145 176 HB2 ARG 23 2HB ARG 23 -13.561 -0.138 0.031 177 HB3 ARG 23 1HB ARG 23 -13.489 -1.834 -0.408 178 HG2 ARG 23 2HG ARG 23 -15.961 -0.118 -0.346 179 HG3 ARG 23 1HG ARG 23 -15.066 -0.597 -1.789 180 HD2 ARG 23 2HD ARG 23 -15.564 -2.937 -1.316 181 HD3 ARG 23 1HD ARG 23 -16.435 -2.466 0.140 182 HH11 ARG 23 1HH1 ARG 23 -17.491 -4.249 -0.458 183 HH12 ARG 23 2HH1 ARG 23 -19.000 -4.716 -1.095 184 HH21 ARG 23 1HH2 ARG 23 -19.536 -1.812 -2.986 185 HH22 ARG 23 2HH2 ARG 23 -20.165 -3.332 -2.522 186 H ILE 24 H ILE 24 -12.989 -3.566 1.761 187 HA ILE 24 HA ILE 24 -11.040 -2.474 3.612 188 HB ILE 24 HB ILE 24 -11.286 -5.229 2.349 189 HG12 ILE 24 2HG1 ILE 24 -13.113 -4.760 3.915 190 HG13 ILE 24 1HG1 ILE 24 -12.037 -5.992 4.566 191 HG21 ILE 24 1HG2 ILE 24 -9.626 -5.994 3.999 192 HG22 ILE 24 2HG2 ILE 24 -9.410 -4.328 4.533 193 HG23 ILE 24 3HG2 ILE 24 -8.968 -4.789 2.888 194 HD11 ILE 24 3HD1 ILE 24 -12.119 -3.085 5.360 195 HD12 ILE 24 1HD1 ILE 24 -10.993 -4.283 5.995 196 HD13 ILE 24 2HD1 ILE 24 -12.722 -4.446 6.297 197 H LYS 25 H LYS 25 -9.199 -1.598 2.941 198 HA LYS 25 HA LYS 25 -8.430 -2.121 0.178 199 HB2 LYS 25 2HB LYS 25 -7.861 0.327 1.838 200 HB3 LYS 25 1HB LYS 25 -6.934 -0.057 0.404 201 HG2 LYS 25 2HG LYS 25 -8.585 1.510 -0.212 202 HG3 LYS 25 1HG LYS 25 -9.061 -0.041 -0.886 203 HD2 LYS 25 2HD LYS 25 -10.597 -0.298 1.084 204 HD3 LYS 25 1HD LYS 25 -10.195 1.365 1.522 205 HE2 LYS 25 2HE LYS 25 -11.438 0.417 -1.035 206 HE3 LYS 25 1HE LYS 25 -12.256 1.313 0.255 207 HZ1 LYS 25 3HZ LYS 25 -11.651 2.752 -1.624 208 HZ2 LYS 25 1HZ LYS 25 -10.069 2.312 -1.490 209 HZ3 LYS 25 2HZ LYS 25 -10.762 3.237 -0.273 210 H THR 26 H THR 26 -6.369 -2.429 -0.421 211 HA THR 26 HA THR 26 -4.362 -3.136 1.650 212 HB THR 26 HB THR 26 -5.011 -4.711 -0.862 213 HG1 THR 26 1HG THR 26 -6.114 -4.728 1.593 214 HG21 THR 26 3HG2 THR 26 -2.663 -4.841 -0.119 215 HG22 THR 26 1HG2 THR 26 -3.484 -6.386 0.110 216 HG23 THR 26 2HG2 THR 26 -3.200 -5.323 1.489 217 H TYR 27 H TYR 27 -2.583 -2.091 1.278 218 HA TYR 27 HA TYR 27 -2.001 -1.277 -1.464 219 HD1 TYR 27 2HD TYR 27 -2.276 1.169 -2.541 220 HD2 TYR 27 1HD TYR 27 -4.081 0.914 1.265 221 HE1 TYR 27 2HE TYR 27 -4.291 2.153 -3.480 222 HE2 TYR 27 1HE TYR 27 -6.153 1.918 0.370 223 HH TYR 27 HH TYR 27 -6.941 3.196 -1.412 224 HB2 TYR 27 2HB TYR 27 -1.783 0.461 0.989 225 HB3 TYR 27 1HB TYR 27 -0.966 0.830 -0.528 226 H THR 28 H THR 28 -0.048 -1.543 -2.146 227 HA THR 28 HA THR 28 1.781 -2.656 -0.189 228 HB THR 28 HB THR 28 2.826 -3.844 -2.185 229 HG1 THR 28 1HG THR 28 1.067 -4.153 -3.848 230 HG21 THR 28 3HG2 THR 28 1.081 -5.612 -2.272 231 HG22 THR 28 1HG2 THR 28 -0.022 -4.512 -1.435 232 HG23 THR 28 2HG2 THR 28 1.450 -5.057 -0.643 233 H ILE 29 H ILE 29 3.406 -1.411 0.253 234 HA ILE 29 HA ILE 29 4.366 0.370 -1.845 235 HB ILE 29 HB ILE 29 4.557 0.671 1.165 236 HG12 ILE 29 2HG1 ILE 29 3.095 2.255 -0.956 237 HG13 ILE 29 1HG1 ILE 29 2.366 1.174 0.218 238 HG21 ILE 29 1HG2 ILE 29 5.679 2.488 -0.990 239 HG22 ILE 29 2HG2 ILE 29 6.625 1.490 0.115 240 HG23 ILE 29 3HG2 ILE 29 5.664 2.830 0.741 241 HD11 ILE 29 3HD1 ILE 29 2.025 3.419 0.905 242 HD12 ILE 29 1HD1 ILE 29 3.761 3.770 0.777 243 HD13 ILE 29 2HD1 ILE 29 3.188 2.639 1.991 244 H THR 30 H THR 30 6.206 -0.045 -2.665 245 HA THR 30 HA THR 30 8.022 -1.796 -1.234 246 HB THR 30 HB THR 30 7.119 -2.976 -3.129 247 HG1 THR 30 1HG THR 30 9.634 -1.996 -3.960 248 HG21 THR 30 3HG2 THR 30 7.937 -0.584 -4.717 249 HG22 THR 30 1HG2 THR 30 6.283 -1.097 -4.397 250 HG23 THR 30 2HG2 THR 30 7.326 -2.090 -5.435 251 H GLU 31 H GLU 31 9.677 -0.808 -0.638 252 HA GLU 31 HA GLU 31 10.793 1.438 -2.167 253 HB2 GLU 31 2HB GLU 31 9.571 2.419 -0.348 254 HB3 GLU 31 1HB GLU 31 10.246 1.287 0.802 255 HG2 GLU 31 2HG GLU 31 11.146 3.557 1.015 256 HG3 GLU 31 1HG GLU 31 12.385 2.357 0.678 257 H GLY 32 H GLY 32 12.623 0.645 -2.911 258 HA2 GLY 32 2HA GLY 32 14.830 -0.061 -2.854 259 HA3 GLY 32 1HA GLY 32 14.707 -0.140 -1.102 260 H SER 33 H SER 33 13.443 -1.953 -0.254 261 HA SER 33 HA SER 33 13.217 -4.309 -1.923 262 HG SER 33 HG SER 33 15.415 -3.815 -2.264 263 HB2 SER 33 2HB SER 33 15.198 -4.321 0.352 264 HB3 SER 33 1HB SER 33 14.702 -5.725 -0.583 265 H LEU 34 H LEU 34 11.816 -2.559 0.518 266 HA LEU 34 HA LEU 34 10.936 -5.066 1.735 267 HG LEU 34 HG LEU 34 9.349 -1.899 3.048 268 HB2 LEU 34 2HB LEU 34 10.285 -3.995 3.796 269 HB3 LEU 34 1HB LEU 34 11.896 -3.430 3.419 270 HD11 LEU 34 1HD1 LEU 34 10.132 -0.627 5.006 271 HD12 LEU 34 2HD1 LEU 34 11.523 -1.697 5.138 272 HD13 LEU 34 3HD1 LEU 34 9.899 -2.325 5.399 273 HD21 LEU 34 3HD2 LEU 34 11.083 -1.243 1.499 274 HD22 LEU 34 1HD2 LEU 34 12.229 -1.089 2.818 275 HD23 LEU 34 2HD2 LEU 34 10.870 0.021 2.686 276 H ARG 35 H ARG 35 8.964 -5.699 1.733 277 HA ARG 35 HA ARG 35 7.017 -4.098 0.252 278 HE ARG 35 HE ARG 35 7.931 -6.208 -3.472 279 HB2 ARG 35 2HB ARG 35 6.996 -6.949 1.244 280 HB3 ARG 35 1HB ARG 35 5.600 -6.186 0.505 281 HG2 ARG 35 2HG ARG 35 8.262 -6.528 -0.859 282 HG3 ARG 35 1HG ARG 35 6.911 -7.654 -1.013 283 HD2 ARG 35 2HD ARG 35 5.518 -5.764 -1.845 284 HD3 ARG 35 1HD ARG 35 6.956 -4.750 -1.798 285 HH11 ARG 35 1HH1 ARG 35 4.416 -6.567 -3.013 286 HH12 ARG 35 2HH1 ARG 35 4.111 -6.973 -4.628 287 HH21 ARG 35 1HH2 ARG 35 7.490 -6.837 -5.697 288 HH22 ARG 35 2HH2 ARG 35 5.883 -7.134 -6.186 289 H ALA 36 H ALA 36 5.902 -2.689 1.438 290 HA ALA 36 HA ALA 36 5.085 -3.474 4.134 291 HB1 ALA 36 1HB ALA 36 4.720 -1.076 4.500 292 HB2 ALA 36 2HB ALA 36 5.214 -0.747 2.838 293 HB3 ALA 36 3HB ALA 36 6.380 -1.397 3.992 294 H VAL 37 H VAL 37 3.076 -4.113 4.308 295 HA VAL 37 HA VAL 37 1.155 -3.316 2.212 296 HB VAL 37 HB VAL 37 1.020 -5.747 4.019 297 HG11 VAL 37 1HG1 VAL 37 -0.906 -6.389 2.639 298 HG12 VAL 37 2HG1 VAL 37 -0.781 -4.866 1.756 299 HG13 VAL 37 3HG1 VAL 37 -1.201 -4.861 3.468 300 HG21 VAL 37 3HG2 VAL 37 1.325 -6.992 1.956 301 HG22 VAL 37 1HG2 VAL 37 2.715 -5.900 2.232 302 HG23 VAL 37 2HG2 VAL 37 1.425 -5.443 1.113 303 H ILE 38 H ILE 38 -0.377 -1.963 2.733 304 HA ILE 38 HA ILE 38 -1.043 -1.528 5.508 305 HB ILE 38 HB ILE 38 -1.382 0.056 2.969 306 HG12 ILE 38 2HG1 ILE 38 0.126 0.649 5.503 307 HG13 ILE 38 1HG1 ILE 38 0.831 0.043 4.006 308 HG21 ILE 38 1HG2 ILE 38 -3.380 0.365 4.323 309 HG22 ILE 38 2HG2 ILE 38 -2.393 1.820 4.263 310 HG23 ILE 38 3HG2 ILE 38 -2.378 0.804 5.714 311 HD11 ILE 38 3HD1 ILE 38 -0.664 2.637 4.209 312 HD12 ILE 38 1HD1 ILE 38 0.290 1.993 2.865 313 HD13 ILE 38 2HD1 ILE 38 1.083 2.481 4.397 314 H PHE 39 H PHE 39 -2.763 -2.636 6.147 315 HA PHE 39 HA PHE 39 -4.927 -3.204 4.258 316 HD1 PHE 39 1HD PHE 39 -5.264 -6.048 3.920 317 HD2 PHE 39 2HD PHE 39 -2.346 -5.333 6.932 318 HE1 PHE 39 1HE PHE 39 -3.924 -7.932 3.068 319 HE2 PHE 39 2HE PHE 39 -1.006 -7.209 6.088 320 HZ PHE 39 HZ PHE 39 -1.794 -8.513 4.155 321 HB2 PHE 39 2HB PHE 39 -4.428 -4.279 7.044 322 HB3 PHE 39 1HB PHE 39 -5.764 -4.738 6.005 323 H ILE 40 H ILE 40 -6.443 -1.860 4.265 324 HA ILE 40 HA ILE 40 -6.879 -0.107 6.548 325 HB ILE 40 HB ILE 40 -8.079 -0.147 3.789 326 HG12 ILE 40 2HG1 ILE 40 -5.775 0.563 3.562 327 HG13 ILE 40 1HG1 ILE 40 -6.825 1.972 3.499 328 HG21 ILE 40 1HG2 ILE 40 -9.692 0.785 5.255 329 HG22 ILE 40 2HG2 ILE 40 -8.956 2.106 4.336 330 HG23 ILE 40 3HG2 ILE 40 -8.468 1.815 6.006 331 HD11 ILE 40 3HD1 ILE 40 -6.210 2.631 5.716 332 HD12 ILE 40 1HD1 ILE 40 -4.756 2.302 4.742 333 HD13 ILE 40 2HD1 ILE 40 -5.281 1.131 5.916 334 H THR 41 H THR 41 -8.268 -0.815 8.028 335 HA THR 41 HA THR 41 -10.501 -2.330 7.035 336 HB THR 41 HB THR 41 -8.944 -3.913 8.083 337 HG1 THR 41 1HG THR 41 -10.577 -4.930 8.790 338 HG21 THR 41 3HG2 THR 41 -7.818 -2.416 9.653 339 HG22 THR 41 1HG2 THR 41 -8.463 -3.824 10.497 340 HG23 THR 41 2HG2 THR 41 -9.300 -2.276 10.599 341 H LYS 42 H LYS 42 -11.976 -2.541 9.105 342 HA LYS 42 HA LYS 42 -13.206 0.061 9.138 343 HB2 LYS 42 2HB LYS 42 -15.044 -1.110 10.288 344 HB3 LYS 42 1HB LYS 42 -14.544 -1.907 8.792 345 HG2 LYS 42 2HG LYS 42 -13.121 -3.409 10.121 346 HG3 LYS 42 1HG LYS 42 -13.755 -2.663 11.573 347 HD2 LYS 42 2HD LYS 42 -15.964 -3.455 11.009 348 HD3 LYS 42 1HD LYS 42 -15.321 -4.164 9.513 349 HE2 LYS 42 2HE LYS 42 -13.681 -5.380 10.869 350 HE3 LYS 42 1HE LYS 42 -14.461 -4.788 12.302 351 HZ1 LYS 42 3HZ LYS 42 -15.726 -6.546 10.255 352 HZ2 LYS 42 1HZ LYS 42 -16.540 -5.916 11.601 353 HZ3 LYS 42 2HZ LYS 42 -15.280 -6.991 11.836 354 H ARG 43 H ARG 43 -11.757 -1.971 11.690 355 HA ARG 43 HA ARG 43 -12.495 0.139 13.572 356 HE ARG 43 HE ARG 43 -12.469 -1.175 18.208 357 HB2 ARG 43 2HB ARG 43 -13.040 -2.268 14.102 358 HB3 ARG 43 1HB ARG 43 -11.311 -2.567 14.197 359 HG2 ARG 43 2HG ARG 43 -11.136 -0.955 16.029 360 HG3 ARG 43 1HG ARG 43 -12.878 -0.691 15.949 361 HD2 ARG 43 2HD ARG 43 -13.206 -3.105 16.426 362 HD3 ARG 43 1HD ARG 43 -11.459 -3.259 16.629 363 HH11 ARG 43 1HH1 ARG 43 -12.185 -4.716 18.122 364 HH12 ARG 43 2HH1 ARG 43 -12.505 -4.929 19.776 365 HH21 ARG 43 1HH2 ARG 43 -12.897 -1.500 20.514 366 HH22 ARG 43 2HH2 ARG 43 -12.879 -3.063 21.167 367 H GLY 44 H GLY 44 -9.981 -0.849 11.706 368 HA2 GLY 44 2HA GLY 44 -8.247 1.112 12.945 369 HA3 GLY 44 1HA GLY 44 -7.746 -0.502 13.369 370 H LEU 45 H LEU 45 -5.843 -0.364 12.506 371 HA LEU 45 HA LEU 45 -5.532 -0.269 9.568 372 HG LEU 45 HG LEU 45 -2.454 -0.179 9.850 373 HB2 LEU 45 2HB LEU 45 -4.621 1.773 10.566 374 HB3 LEU 45 1HB LEU 45 -3.754 0.831 11.760 375 HD11 LEU 45 1HD1 LEU 45 -3.890 0.284 8.029 376 HD12 LEU 45 2HD1 LEU 45 -2.341 1.094 7.766 377 HD13 LEU 45 3HD1 LEU 45 -3.750 2.020 8.298 378 HD21 LEU 45 3HD2 LEU 45 -2.125 2.807 10.284 379 HD22 LEU 45 1HD2 LEU 45 -0.907 1.739 9.635 380 HD23 LEU 45 2HD2 LEU 45 -1.398 1.563 11.294 381 H LYS 46 H LYS 46 -4.302 -2.043 8.846 382 HA LYS 46 HA LYS 46 -2.587 -3.201 10.841 383 HB2 LYS 46 2HB LYS 46 -4.439 -4.784 10.781 384 HB3 LYS 46 1HB LYS 46 -4.324 -4.906 9.027 385 HG2 LYS 46 2HG LYS 46 -2.224 -6.010 9.145 386 HG3 LYS 46 1HG LYS 46 -2.052 -5.639 10.854 387 HD2 LYS 46 2HD LYS 46 -3.809 -7.078 11.408 388 HD3 LYS 46 1HD LYS 46 -4.176 -7.432 9.692 389 HE2 LYS 46 2HE LYS 46 -1.936 -8.435 9.510 390 HE3 LYS 46 1HE LYS 46 -1.630 -8.047 11.198 391 HZ1 LYS 46 3HZ LYS 46 -3.740 -9.892 10.209 392 HZ2 LYS 46 1HZ LYS 46 -3.421 -9.529 11.830 393 HZ3 LYS 46 2HZ LYS 46 -2.273 -10.342 10.922 394 H VAL 47 H VAL 47 -0.725 -3.947 10.173 395 HA VAL 47 HA VAL 47 -0.070 -3.285 7.403 396 HB VAL 47 HB VAL 47 0.497 -1.413 8.923 397 HG11 VAL 47 1HG1 VAL 47 2.456 -1.645 10.408 398 HG12 VAL 47 2HG1 VAL 47 2.399 -3.390 10.151 399 HG13 VAL 47 3HG1 VAL 47 1.047 -2.567 10.934 400 HG21 VAL 47 3HG2 VAL 47 1.702 -1.666 6.830 401 HG22 VAL 47 1HG2 VAL 47 2.844 -2.766 7.602 402 HG23 VAL 47 2HG2 VAL 47 2.789 -1.070 8.086 403 H CYS 48 H CYS 48 1.369 -4.604 6.493 404 HA CYS 48 HA CYS 48 2.749 -6.512 8.218 405 HB2 CYS 48 2HB CYS 48 1.468 -7.048 5.555 406 HB3 CYS 48 1HB CYS 48 2.746 -8.073 6.196 407 H ALA 49 H ALA 49 4.806 -6.869 7.918 408 HA ALA 49 HA ALA 49 6.135 -5.282 5.837 409 HB1 ALA 49 1HB ALA 49 7.159 -6.159 8.532 410 HB2 ALA 49 2HB ALA 49 6.605 -4.542 8.099 411 HB3 ALA 49 3HB ALA 49 8.050 -5.207 7.333 412 H ASP 50 H ASP 50 7.096 -6.458 4.405 413 HA ASP 50 HA ASP 50 8.130 -9.078 5.100 414 HB2 ASP 50 2HB ASP 50 5.875 -9.343 4.098 415 HB3 ASP 50 1HB ASP 50 6.442 -8.503 2.661 416 HA PRO 51 HA PRO 51 11.220 -6.602 2.826 417 HB2 PRO 51 2HB PRO 51 13.189 -7.807 4.488 418 HB3 PRO 51 1HB PRO 51 12.596 -6.146 4.535 419 HG2 PRO 51 2HG PRO 51 12.197 -7.995 6.539 420 HG3 PRO 51 1HG PRO 51 11.167 -6.582 6.258 421 HD2 PRO 51 2HD PRO 51 10.738 -9.430 5.465 422 HD3 PRO 51 1HD PRO 51 9.581 -8.219 6.079 423 H GLN 52 H GLN 52 12.310 -7.122 1.127 424 HA GLN 52 HA GLN 52 13.591 -8.203 -0.360 425 HB2 GLN 52 2HB GLN 52 14.138 -10.106 1.923 426 HB3 GLN 52 1HB GLN 52 15.132 -9.887 0.484 427 HG2 GLN 52 2HG GLN 52 15.587 -7.559 1.136 428 HG3 GLN 52 1HG GLN 52 14.561 -7.752 2.535 429 HE21 GLN 52 1HE2 GLN 52 17.435 -7.127 2.314 430 HE22 GLN 52 2HE2 GLN 52 18.229 -8.281 3.310 431 H ALA 53 H ALA 53 10.851 -8.740 -0.120 432 HA ALA 53 HA ALA 53 10.207 -11.490 -0.429 433 HB1 ALA 53 1HB ALA 53 8.626 -9.814 0.374 434 HB2 ALA 53 2HB ALA 53 8.014 -10.676 -1.040 435 HB3 ALA 53 3HB ALA 53 8.653 -9.041 -1.211 436 H THR 54 H THR 54 8.578 -11.705 -2.580 437 HA THR 54 HA THR 54 10.409 -12.218 -4.646 438 HB THR 54 HB THR 54 8.338 -12.929 -5.895 439 HG1 THR 54 1HG THR 54 6.747 -11.739 -5.073 440 HG21 THR 54 3HG2 THR 54 8.687 -14.009 -3.093 441 HG22 THR 54 1HG2 THR 54 9.611 -14.509 -4.509 442 HG23 THR 54 2HG2 THR 54 7.882 -14.847 -4.418 443 H TRP 55 H TRP 55 11.263 -10.637 -5.750 444 HA TRP 55 HA TRP 55 11.597 -8.994 -7.189 445 HD1 TRP 55 HD TRP 55 11.852 -8.350 -9.865 446 HE1 TRP 55 1HE TRP 55 11.380 -6.286 -11.295 447 HE3 TRP 55 3HE TRP 55 7.070 -7.374 -8.316 448 HZ2 TRP 55 2HZ TRP 55 9.250 -4.476 -11.741 449 HZ3 TRP 55 3HZ TRP 55 5.887 -5.457 -9.308 450 HH2 TRP 55 HH TRP 55 6.952 -4.043 -10.980 451 HB2 TRP 55 2HB TRP 55 9.944 -10.081 -8.637 452 HB3 TRP 55 1HB TRP 55 8.646 -9.202 -7.839 453 H VAL 56 H VAL 56 12.267 -7.298 -6.201 454 HA VAL 56 HA VAL 56 10.256 -5.529 -5.048 455 HB VAL 56 HB VAL 56 12.025 -4.588 -3.611 456 HG11 VAL 56 1HG1 VAL 56 11.727 -7.582 -3.382 457 HG12 VAL 56 2HG1 VAL 56 10.624 -6.372 -2.734 458 HG13 VAL 56 3HG1 VAL 56 12.258 -6.510 -2.087 459 HG21 VAL 56 3HG2 VAL 56 13.765 -6.793 -4.734 460 HG22 VAL 56 1HG2 VAL 56 14.200 -5.735 -3.394 461 HG23 VAL 56 2HG2 VAL 56 13.981 -5.065 -5.011 462 H ARG 57 H ARG 57 10.296 -3.400 -5.490 463 HA ARG 57 HA ARG 57 12.232 -2.413 -7.433 464 HE ARG 57 HE ARG 57 6.287 -2.127 -7.181 465 HB2 ARG 57 2HB ARG 57 10.370 -1.229 -8.624 466 HB3 ARG 57 1HB ARG 57 10.269 -2.978 -8.769 467 HG2 ARG 57 2HG ARG 57 8.551 -3.013 -7.035 468 HG3 ARG 57 1HG ARG 57 8.680 -1.259 -6.885 469 HD2 ARG 57 2HD ARG 57 7.918 -0.991 -9.177 470 HD3 ARG 57 1HD ARG 57 7.854 -2.744 -9.377 471 HH11 ARG 57 1HH1 ARG 57 6.168 -1.505 -10.672 472 HH12 ARG 57 2HH1 ARG 57 4.475 -1.385 -10.723 473 HH21 ARG 57 1HH2 ARG 57 3.995 -1.926 -7.260 474 HH22 ARG 57 2HH2 ARG 57 3.206 -1.587 -8.732 475 H ASP 58 H ASP 58 12.477 -0.085 -7.287 476 HA ASP 58 HA ASP 58 11.648 0.803 -4.612 477 HB2 ASP 58 2HB ASP 58 13.560 2.310 -4.564 478 HB3 ASP 58 1HB ASP 58 14.078 0.666 -4.897 479 H VAL 59 H VAL 59 11.084 1.415 -7.856 480 HA VAL 59 HA VAL 59 10.488 4.206 -7.485 481 HB VAL 59 HB VAL 59 9.783 2.403 -9.824 482 HG11 VAL 59 1HG1 VAL 59 8.337 4.370 -9.726 483 HG12 VAL 59 2HG1 VAL 59 9.459 4.503 -11.081 484 HG13 VAL 59 3HG1 VAL 59 9.747 5.420 -9.602 485 HG21 VAL 59 3HG2 VAL 59 12.075 4.340 -9.480 486 HG22 VAL 59 1HG2 VAL 59 11.690 3.463 -10.961 487 HG23 VAL 59 2HG2 VAL 59 12.194 2.582 -9.519 488 H VAL 60 H VAL 60 8.898 4.663 -6.166 489 HA VAL 60 HA VAL 60 6.240 3.638 -6.729 490 HB VAL 60 HB VAL 60 7.103 2.157 -4.941 491 HG11 VAL 60 1HG1 VAL 60 7.635 3.042 -2.718 492 HG12 VAL 60 2HG1 VAL 60 7.472 4.684 -3.344 493 HG13 VAL 60 3HG1 VAL 60 8.747 3.628 -3.951 494 HG21 VAL 60 3HG2 VAL 60 5.310 2.500 -3.294 495 HG22 VAL 60 1HG2 VAL 60 4.715 2.680 -4.947 496 HG23 VAL 60 2HG2 VAL 60 5.017 4.108 -3.953 497 HA VAL 1 HA VAL 1 -9.393 -4.592 24.096 498 HB VAL 1 HB VAL 1 -8.095 -2.991 22.729 499 H1 VAL 1 H VAL 1 -11.478 -5.215 22.508 500 HG11 VAL 1 1HG1 VAL 1 -8.090 -5.794 21.611 501 HG12 VAL 1 2HG1 VAL 1 -7.216 -5.247 23.041 502 HG13 VAL 1 3HG1 VAL 1 -6.779 -4.625 21.449 503 HG21 VAL 1 3HG2 VAL 1 -9.784 -2.521 21.021 504 HG22 VAL 1 1HG2 VAL 1 -9.613 -4.160 20.393 505 HG23 VAL 1 2HG2 VAL 1 -8.265 -3.027 20.284 506 H GLY 2 H GLY 2 -9.315 -2.098 24.368 507 HA2 GLY 2 2HA GLY 2 -12.027 -1.054 23.910 508 HA3 GLY 2 1HA GLY 2 -11.044 -0.678 25.325 509 H SER 3 H SER 3 -10.430 -0.693 21.846 510 HA SER 3 HA SER 3 -8.856 1.716 22.135 511 HG SER 3 HG SER 3 -7.770 -0.298 21.944 512 HB2 SER 3 2HB SER 3 -9.334 -0.050 19.759 513 HB3 SER 3 1HB SER 3 -8.171 1.272 19.848 514 H GLU 4 H GLU 4 -12.101 1.348 21.737 515 HA GLU 4 HA GLU 4 -12.462 3.027 19.434 516 HB2 GLU 4 2HB GLU 4 -14.507 2.315 21.552 517 HB3 GLU 4 1HB GLU 4 -14.833 2.993 19.970 518 HG2 GLU 4 2HG GLU 4 -13.696 0.274 20.544 519 HG3 GLU 4 1HG GLU 4 -15.321 0.638 19.952 520 H VAL 5 H VAL 5 -11.888 3.473 22.705 521 HA VAL 5 HA VAL 5 -12.678 6.282 22.614 522 HB VAL 5 HB VAL 5 -12.203 6.281 25.064 523 HG11 VAL 5 1HG1 VAL 5 -14.469 5.838 24.261 524 HG12 VAL 5 2HG1 VAL 5 -14.130 4.900 25.717 525 HG13 VAL 5 3HG1 VAL 5 -14.098 4.120 24.136 526 HG21 VAL 5 3HG2 VAL 5 -11.840 4.133 26.201 527 HG22 VAL 5 1HG2 VAL 5 -10.514 4.512 25.102 528 HG23 VAL 5 2HG2 VAL 5 -11.731 3.325 24.641 529 H SER 6 H SER 6 -10.139 4.585 21.629 530 HA SER 6 HA SER 6 -8.084 6.217 22.835 531 HG SER 6 HG SER 6 -8.019 4.123 23.630 532 HB2 SER 6 2HB SER 6 -7.883 3.917 20.879 533 HB3 SER 6 1HB SER 6 -6.526 4.701 21.700 534 H ASP 7 H ASP 7 -8.007 8.141 21.977 535 HA ASP 7 HA ASP 7 -8.404 8.585 19.112 536 HB2 ASP 7 2HB ASP 7 -8.588 10.922 19.690 537 HB3 ASP 7 1HB ASP 7 -9.589 10.003 20.805 538 H LYS 8 H LYS 8 -6.881 10.012 18.021 539 HA LYS 8 HA LYS 8 -4.854 10.774 17.347 540 HB2 LYS 8 2HB LYS 8 -3.980 10.253 20.175 541 HB3 LYS 8 1HB LYS 8 -2.909 10.859 18.932 542 HG2 LYS 8 2HG LYS 8 -4.220 12.857 18.677 543 HG3 LYS 8 1HG LYS 8 -5.446 12.232 19.777 544 HD2 LYS 8 2HD LYS 8 -2.593 12.589 20.658 545 HD3 LYS 8 1HD LYS 8 -3.725 13.934 20.678 546 HE2 LYS 8 2HE LYS 8 -3.551 12.816 22.875 547 HE3 LYS 8 1HE LYS 8 -5.173 12.751 22.214 548 HZ1 LYS 8 3HZ LYS 8 -3.210 10.500 22.168 549 HZ2 LYS 8 1HZ LYS 8 -4.837 10.425 21.662 550 HZ3 LYS 8 2HZ LYS 8 -4.464 10.695 23.256 551 H ARG 9 H ARG 9 -2.836 10.237 16.748 552 HA ARG 9 HA ARG 9 -2.758 7.899 15.364 553 HE ARG 9 HE ARG 9 1.172 9.421 14.124 554 HB2 ARG 9 2HB ARG 9 -0.449 8.497 14.867 555 HB3 ARG 9 1HB ARG 9 -1.614 9.799 14.651 556 HG2 ARG 9 2HG ARG 9 -0.988 10.674 16.835 557 HG3 ARG 9 1HG ARG 9 0.255 9.413 16.946 558 HD2 ARG 9 2HD ARG 9 -0.031 11.383 14.785 559 HD3 ARG 9 1HD ARG 9 1.137 11.606 16.119 560 HH11 ARG 9 1HH1 ARG 9 2.968 11.691 16.172 561 HH12 ARG 9 2HH1 ARG 9 4.484 11.264 15.524 562 HH21 ARG 9 1HH2 ARG 9 3.280 8.865 13.261 563 HH22 ARG 9 2HH2 ARG 9 4.669 9.661 13.876 564 H THR 10 H THR 10 -2.105 5.846 15.750 565 HA THR 10 HA THR 10 -0.333 5.364 17.988 566 HB THR 10 HB THR 10 -1.089 2.956 17.672 567 HG1 THR 10 1HG THR 10 -3.359 3.178 16.605 568 HG21 THR 10 3HG2 THR 10 -3.251 3.266 18.799 569 HG22 THR 10 1HG2 THR 10 -3.244 4.968 18.337 570 HG23 THR 10 2HG2 THR 10 -2.029 4.353 19.456 571 H CYS 11 H CYS 11 1.565 4.118 17.544 572 HA CYS 11 HA CYS 11 2.103 3.534 14.724 573 HB2 CYS 11 2HB CYS 11 3.925 5.182 16.513 574 HB3 CYS 11 1HB CYS 11 4.346 4.585 14.922 575 H VAL 12 H VAL 12 3.755 1.949 14.524 576 HA VAL 12 HA VAL 12 5.072 0.912 16.922 577 HB VAL 12 HB VAL 12 3.419 -0.920 15.109 578 HG11 VAL 12 1HG1 VAL 12 5.142 -1.636 17.481 579 HG12 VAL 12 2HG1 VAL 12 5.486 -2.016 15.793 580 HG13 VAL 12 3HG1 VAL 12 4.100 -2.751 16.602 581 HG21 VAL 12 3HG2 VAL 12 2.118 -1.458 17.127 582 HG22 VAL 12 1HG2 VAL 12 2.024 0.261 16.723 583 HG23 VAL 12 2HG2 VAL 12 3.067 -0.281 18.033 584 H SER 13 H SER 13 7.058 0.021 16.528 585 HA SER 13 HA SER 13 7.902 0.113 13.749 586 HG SER 13 HG SER 13 8.951 0.954 17.128 587 HB2 SER 13 2HB SER 13 10.215 0.315 14.699 588 HB3 SER 13 1HB SER 13 9.162 1.670 15.084 589 H LEU 14 H LEU 14 8.586 -1.663 12.801 590 HA LEU 14 HA LEU 14 8.556 -4.114 14.371 591 HG LEU 14 HG LEU 14 6.207 -3.118 12.747 592 HB2 LEU 14 2HB LEU 14 8.237 -3.617 11.426 593 HB3 LEU 14 1HB LEU 14 8.292 -5.207 12.151 594 HD11 LEU 14 1HD1 LEU 14 4.707 -4.595 11.525 595 HD12 LEU 14 2HD1 LEU 14 6.058 -5.673 11.165 596 HD13 LEU 14 3HD1 LEU 14 6.028 -4.046 10.486 597 HD21 LEU 14 3HD2 LEU 14 5.126 -4.987 13.936 598 HD22 LEU 14 1HD2 LEU 14 6.665 -4.532 14.655 599 HD23 LEU 14 2HD2 LEU 14 6.559 -5.965 13.641 600 H THR 15 H THR 15 10.324 -4.966 14.858 601 HA THR 15 HA THR 15 12.781 -4.217 13.589 602 HB THR 15 HB THR 15 13.714 -5.791 15.300 603 HG1 THR 15 1HG THR 15 11.420 -6.861 15.281 604 HG21 THR 15 3HG2 THR 15 11.760 -3.753 16.377 605 HG22 THR 15 1HG2 THR 15 13.412 -3.418 15.853 606 HG23 THR 15 2HG2 THR 15 13.120 -4.436 17.263 607 H THR 16 H THR 16 13.228 -5.234 11.701 608 HA THR 16 HA THR 16 13.076 -8.094 11.662 609 HB THR 16 HB THR 16 10.795 -7.431 10.913 610 HG1 THR 16 1HG THR 16 11.099 -9.218 9.976 611 HG21 THR 16 3HG2 THR 16 10.491 -6.347 8.715 612 HG22 THR 16 1HG2 THR 16 12.237 -6.127 8.596 613 HG23 THR 16 2HG2 THR 16 11.326 -5.287 9.850 614 H GLN 17 H GLN 17 13.918 -8.887 9.461 615 HA GLN 17 HA GLN 17 16.484 -7.713 9.100 616 HB2 GLN 17 2HB GLN 17 16.216 -10.124 9.019 617 HB3 GLN 17 1HB GLN 17 15.103 -9.989 7.671 618 HG2 GLN 17 2HG GLN 17 16.921 -9.120 6.271 619 HG3 GLN 17 1HG GLN 17 18.036 -9.301 7.624 620 HE21 GLN 17 1HE2 GLN 17 19.289 -10.733 6.484 621 HE22 GLN 17 2HE2 GLN 17 18.820 -12.362 6.163 622 H ARG 18 H ARG 18 16.280 -5.728 8.237 623 HA ARG 18 HA ARG 18 15.328 -5.601 5.467 624 HE ARG 18 HE ARG 18 13.428 -1.309 4.011 625 HB2 ARG 18 2HB ARG 18 13.852 -4.537 7.183 626 HB3 ARG 18 1HB ARG 18 15.150 -3.381 7.537 627 HG2 ARG 18 2HG ARG 18 13.579 -3.682 4.953 628 HG3 ARG 18 1HG ARG 18 13.315 -2.467 6.197 629 HD2 ARG 18 2HD ARG 18 15.529 -1.501 5.711 630 HD3 ARG 18 1HD ARG 18 15.817 -2.753 4.502 631 HH11 ARG 18 1HH1 ARG 18 16.948 -0.989 3.610 632 HH12 ARG 18 2HH1 ARG 18 16.837 0.006 2.236 633 HH21 ARG 18 1HH2 ARG 18 13.339 0.165 2.056 634 HH22 ARG 18 2HH2 ARG 18 14.804 0.678 1.408 635 H LEU 19 H LEU 19 16.807 -4.777 4.143 636 HA LEU 19 HA LEU 19 19.450 -4.572 5.109 637 HG LEU 19 HG LEU 19 17.050 -5.076 2.381 638 HB2 LEU 19 2HB LEU 19 19.904 -4.115 2.599 639 HB3 LEU 19 1HB LEU 19 19.349 -5.693 3.105 640 HD11 LEU 19 1HD1 LEU 19 18.338 -2.602 1.289 641 HD12 LEU 19 2HD1 LEU 19 17.131 -2.719 2.570 642 HD13 LEU 19 3HD1 LEU 19 16.704 -3.179 0.925 643 HD21 LEU 19 3HD2 LEU 19 19.158 -4.863 0.253 644 HD22 LEU 19 1HD2 LEU 19 17.451 -5.259 0.018 645 HD23 LEU 19 2HD2 LEU 19 18.485 -6.346 0.938 646 HA PRO 20 HA PRO 20 20.387 -0.380 5.865 647 HB2 PRO 20 2HB PRO 20 22.370 -0.523 3.654 648 HB3 PRO 20 1HB PRO 20 22.575 0.069 5.308 649 HG2 PRO 20 2HG PRO 20 23.487 -2.318 4.645 650 HG3 PRO 20 1HG PRO 20 22.666 -2.074 6.199 651 HD2 PRO 20 2HD PRO 20 21.654 -3.367 3.708 652 HD3 PRO 20 1HD PRO 20 21.352 -3.765 5.422 653 H VAL 21 H VAL 21 19.720 1.513 5.335 654 HA VAL 21 HA VAL 21 19.161 2.226 2.558 655 HB VAL 21 HB VAL 21 17.045 1.539 3.753 656 HG11 VAL 21 1HG1 VAL 21 17.555 3.931 5.493 657 HG12 VAL 21 2HG1 VAL 21 17.537 2.243 5.993 658 HG13 VAL 21 3HG1 VAL 21 16.050 3.012 5.437 659 HG21 VAL 21 3HG2 VAL 21 15.691 3.470 3.077 660 HG22 VAL 21 1HG2 VAL 21 16.902 3.050 1.867 661 HG23 VAL 21 2HG2 VAL 21 17.159 4.434 2.931 662 H SER 22 H SER 22 19.411 4.527 2.181 663 HA SER 22 HA SER 22 21.250 5.681 4.074 664 HG SER 22 HG SER 22 21.959 5.282 0.650 665 HB2 SER 22 2HB SER 22 20.465 6.596 1.297 666 HB3 SER 22 1HB SER 22 21.743 7.291 2.292 667 H ARG 23 H ARG 23 18.178 6.515 2.543 668 HA ARG 23 HA ARG 23 17.840 8.599 4.587 669 HE ARG 23 HE ARG 23 20.183 11.659 2.292 670 HB2 ARG 23 2HB ARG 23 16.834 8.566 1.740 671 HB3 ARG 23 1HB ARG 23 16.275 9.707 2.953 672 HG2 ARG 23 2HG ARG 23 19.124 9.434 2.002 673 HG3 ARG 23 1HG ARG 23 17.980 10.665 1.461 674 HD2 ARG 23 2HD ARG 23 17.788 11.466 3.794 675 HD3 ARG 23 1HD ARG 23 18.986 10.273 4.284 676 HH11 ARG 23 1HH1 ARG 23 18.698 12.583 5.370 677 HH12 ARG 23 2HH1 ARG 23 19.723 13.920 5.622 678 HH21 ARG 23 1HH2 ARG 23 21.594 13.544 2.668 679 HH22 ARG 23 2HH2 ARG 23 21.375 14.467 4.077 680 H ILE 24 H ILE 24 15.969 8.715 5.657 681 HA ILE 24 HA ILE 24 14.363 6.326 5.754 682 HB ILE 24 HB ILE 24 14.128 8.936 7.281 683 HG12 ILE 24 2HG1 ILE 24 16.267 7.849 7.745 684 HG13 ILE 24 1HG1 ILE 24 15.213 7.750 9.148 685 HG21 ILE 24 1HG2 ILE 24 12.826 6.276 7.839 686 HG22 ILE 24 2HG2 ILE 24 12.018 7.746 7.291 687 HG23 ILE 24 3HG2 ILE 24 12.758 7.687 8.892 688 HD11 ILE 24 3HD1 ILE 24 15.778 5.536 7.187 689 HD12 ILE 24 1HD1 ILE 24 14.708 5.428 8.587 690 HD13 ILE 24 2HD1 ILE 24 16.436 5.696 8.815 691 H LYS 25 H LYS 25 12.668 6.075 4.483 692 HA LYS 25 HA LYS 25 11.440 8.432 3.310 693 HB2 LYS 25 2HB LYS 25 11.121 5.526 2.595 694 HB3 LYS 25 1HB LYS 25 10.017 6.754 2.014 695 HG2 LYS 25 2HG LYS 25 11.612 6.317 0.309 696 HG3 LYS 25 1HG LYS 25 11.943 7.911 0.966 697 HD2 LYS 25 2HD LYS 25 13.739 6.913 2.344 698 HD3 LYS 25 1HD LYS 25 13.427 5.360 1.559 699 HE2 LYS 25 2HE LYS 25 14.212 7.911 0.213 700 HE3 LYS 25 1HE LYS 25 15.296 6.541 0.501 701 HZ1 LYS 25 3HZ LYS 25 14.464 6.540 -1.780 702 HZ2 LYS 25 1HZ LYS 25 12.880 6.571 -1.251 703 HZ3 LYS 25 2HZ LYS 25 13.796 5.203 -0.994 704 H THR 26 H THR 26 9.295 8.814 3.255 705 HA THR 26 HA THR 26 7.624 7.586 5.353 706 HB THR 26 HB THR 26 7.858 10.522 4.630 707 HG1 THR 26 1HG THR 26 9.176 8.925 6.406 708 HG21 THR 26 3HG2 THR 26 6.314 9.125 6.829 709 HG22 THR 26 1HG2 THR 26 5.603 9.822 5.371 710 HG23 THR 26 2HG2 THR 26 6.381 10.866 6.563 711 H TYR 27 H TYR 27 5.739 6.933 4.557 712 HA TYR 27 HA TYR 27 4.875 8.095 2.063 713 HD1 TYR 27 2HD TYR 27 4.832 6.884 -0.491 714 HD2 TYR 27 1HD TYR 27 7.466 5.101 2.304 715 HE1 TYR 27 2HE TYR 27 6.609 7.050 -2.120 716 HE2 TYR 27 1HE TYR 27 9.307 5.244 0.679 717 HH TYR 27 HH TYR 27 9.705 5.463 -1.653 718 HB2 TYR 27 2HB TYR 27 5.083 5.154 2.685 719 HB3 TYR 27 1HB TYR 27 3.988 5.782 1.452 720 H THR 28 H THR 28 2.985 8.722 2.115 721 HA THR 28 HA THR 28 1.438 7.867 4.415 722 HB THR 28 HB THR 28 1.309 10.624 3.180 723 HG1 THR 28 1HG THR 28 3.063 9.434 4.883 724 HG21 THR 28 3HG2 THR 28 0.373 9.430 5.736 725 HG22 THR 28 1HG2 THR 28 -0.682 9.869 4.388 726 HG23 THR 28 2HG2 THR 28 0.175 11.142 5.298 727 H ILE 29 H ILE 29 -0.316 6.831 3.893 728 HA ILE 29 HA ILE 29 -1.587 7.500 1.354 729 HB ILE 29 HB ILE 29 -1.508 4.897 2.869 730 HG12 ILE 29 2HG1 ILE 29 -0.649 5.703 0.090 731 HG13 ILE 29 1HG1 ILE 29 0.401 5.332 1.448 732 HG21 ILE 29 1HG2 ILE 29 -3.037 3.938 1.196 733 HG22 ILE 29 2HG2 ILE 29 -3.238 5.534 0.460 734 HG23 ILE 29 3HG2 ILE 29 -3.816 5.227 2.101 735 HD11 ILE 29 3HD1 ILE 29 0.341 3.526 -0.135 736 HD12 ILE 29 1HD1 ILE 29 -1.417 3.414 0.022 737 HD13 ILE 29 2HD1 ILE 29 -0.394 3.036 1.405 738 H THR 30 H THR 30 -3.392 8.536 1.488 739 HA THR 30 HA THR 30 -4.867 8.381 3.973 740 HB THR 30 HB THR 30 -4.200 10.683 3.278 741 HG1 THR 30 1HG THR 30 -7.000 10.218 3.109 742 HG21 THR 30 3HG2 THR 30 -5.932 10.183 0.871 743 HG22 THR 30 1HG2 THR 30 -4.181 10.407 0.852 744 HG23 THR 30 2HG2 THR 30 -5.244 11.754 1.299 745 H GLU 31 H GLU 31 -6.541 7.197 3.988 746 HA GLU 31 HA GLU 31 -7.895 6.551 1.471 747 HB2 GLU 31 2HB GLU 31 -6.315 4.739 1.966 748 HB3 GLU 31 1HB GLU 31 -6.992 4.578 3.573 749 HG2 GLU 31 2HG GLU 31 -7.733 2.834 1.994 750 HG3 GLU 31 1HG GLU 31 -9.061 3.766 2.684 751 H GLY 32 H GLY 32 -9.968 6.919 1.638 752 HA2 GLY 32 2HA GLY 32 -12.044 7.283 2.535 753 HA3 GLY 32 1HA GLY 32 -11.576 6.182 3.829 754 H SER 33 H SER 33 -10.863 6.975 5.720 755 HA SER 33 HA SER 33 -10.580 9.876 6.012 756 HG SER 33 HG SER 33 -12.893 9.879 5.703 757 HB2 SER 33 2HB SER 33 -12.253 8.169 7.853 758 HB3 SER 33 1HB SER 33 -12.018 9.911 7.952 759 H LEU 34 H LEU 34 -8.973 7.109 6.225 760 HA LEU 34 HA LEU 34 -7.692 7.875 8.741 761 HG LEU 34 HG LEU 34 -6.940 4.852 6.685 762 HB2 LEU 34 2HB LEU 34 -6.912 5.601 9.111 763 HB3 LEU 34 1HB LEU 34 -8.663 5.610 9.020 764 HD11 LEU 34 1HD1 LEU 34 -7.198 2.507 7.424 765 HD12 LEU 34 2HD1 LEU 34 -7.987 3.068 8.904 766 HD13 LEU 34 3HD1 LEU 34 -6.296 3.462 8.597 767 HD21 LEU 34 3HD2 LEU 34 -9.337 5.319 6.338 768 HD22 LEU 34 1HD2 LEU 34 -9.737 4.041 7.483 769 HD23 LEU 34 2HD2 LEU 34 -8.893 3.670 5.955 770 H ARG 35 H ARG 35 -5.584 8.069 8.753 771 HA ARG 35 HA ARG 35 -4.297 7.668 6.160 772 HE ARG 35 HE ARG 35 -5.350 12.044 4.905 773 HB2 ARG 35 2HB ARG 35 -3.654 9.741 8.230 774 HB3 ARG 35 1HB ARG 35 -2.620 9.394 6.847 775 HG2 ARG 35 2HG ARG 35 -4.531 9.894 5.367 776 HG3 ARG 35 1HG ARG 35 -5.453 10.369 6.791 777 HD2 ARG 35 2HD ARG 35 -3.859 12.104 7.273 778 HD3 ARG 35 1HD ARG 35 -2.855 11.562 5.917 779 HH11 ARG 35 1HH1 ARG 35 -2.773 13.944 6.435 780 HH12 ARG 35 2HH1 ARG 35 -3.167 15.385 5.628 781 HH21 ARG 35 1HH2 ARG 35 -5.862 14.063 3.776 782 HH22 ARG 35 2HH2 ARG 35 -4.945 15.445 4.111 783 H ALA 36 H ALA 36 -2.583 6.528 5.922 784 HA ALA 36 HA ALA 36 -1.402 5.338 8.327 785 HB1 ALA 36 1HB ALA 36 -2.595 3.713 6.939 786 HB2 ALA 36 2HB ALA 36 -0.856 3.414 6.911 787 HB3 ALA 36 3HB ALA 36 -1.636 4.203 5.542 788 H VAL 37 H VAL 37 0.619 5.827 8.668 789 HA VAL 37 HA VAL 37 2.198 6.902 6.435 790 HB VAL 37 HB VAL 37 2.400 7.642 9.384 791 HG11 VAL 37 1HG1 VAL 37 4.231 9.134 8.724 792 HG12 VAL 37 2HG1 VAL 37 4.148 8.502 7.078 793 HG13 VAL 37 3HG1 VAL 37 4.641 7.449 8.402 794 HG21 VAL 37 3HG2 VAL 37 0.636 8.774 8.075 795 HG22 VAL 37 1HG2 VAL 37 1.902 9.276 6.949 796 HG23 VAL 37 2HG2 VAL 37 1.926 9.879 8.609 797 H ILE 38 H ILE 38 3.926 5.818 5.876 798 HA ILE 38 HA ILE 38 4.904 3.740 7.648 799 HB ILE 38 HB ILE 38 4.725 4.036 4.680 800 HG12 ILE 38 2HG1 ILE 38 3.876 1.850 6.548 801 HG13 ILE 38 1HG1 ILE 38 2.834 3.114 5.908 802 HG21 ILE 38 1HG2 ILE 38 6.407 2.002 6.124 803 HG22 ILE 38 2HG2 ILE 38 6.977 3.281 5.049 804 HG23 ILE 38 3HG2 ILE 38 5.981 1.981 4.404 805 HD11 ILE 38 3HD1 ILE 38 3.093 2.393 3.790 806 HD12 ILE 38 1HD1 ILE 38 2.639 0.983 4.721 807 HD13 ILE 38 2HD1 ILE 38 4.334 1.174 4.179 808 H PHE 39 H PHE 39 6.878 3.911 8.380 809 HA PHE 39 HA PHE 39 8.693 5.871 7.175 810 HD1 PHE 39 1HD PHE 39 9.420 8.151 8.928 811 HD2 PHE 39 2HD PHE 39 6.521 5.556 10.636 812 HE1 PHE 39 1HE PHE 39 8.115 10.104 9.664 813 HE2 PHE 39 2HE PHE 39 5.211 7.496 11.375 814 HZ PHE 39 HZ PHE 39 6.009 9.777 10.893 815 HB2 PHE 39 2HB PHE 39 8.652 4.737 9.978 816 HB3 PHE 39 1HB PHE 39 9.911 5.797 9.356 817 H ILE 40 H ILE 40 10.170 5.025 6.011 818 HA ILE 40 HA ILE 40 10.797 2.188 6.231 819 HB ILE 40 HB ILE 40 11.696 4.226 4.186 820 HG12 ILE 40 2HG1 ILE 40 9.287 3.893 3.974 821 HG13 ILE 40 1HG1 ILE 40 10.093 3.081 2.652 822 HG21 ILE 40 1HG2 ILE 40 12.401 2.296 2.837 823 HG22 ILE 40 2HG2 ILE 40 11.999 1.228 4.182 824 HG23 ILE 40 3HG2 ILE 40 13.286 2.420 4.357 825 HD11 ILE 40 3HD1 ILE 40 9.794 0.920 3.824 826 HD12 ILE 40 1HD1 ILE 40 8.274 1.767 3.515 827 HD13 ILE 40 2HD1 ILE 40 8.979 1.786 5.119 828 H THR 41 H THR 41 12.418 1.588 7.479 829 HA THR 41 HA THR 41 14.790 3.267 7.646 830 HB THR 41 HB THR 41 13.537 3.709 9.685 831 HG1 THR 41 1HG THR 41 15.730 3.510 10.053 832 HG21 THR 41 3HG2 THR 41 12.088 1.739 9.700 833 HG22 THR 41 1HG2 THR 41 12.895 1.928 11.255 834 HG23 THR 41 2HG2 THR 41 13.465 0.717 10.109 835 H LYS 42 H LYS 42 16.664 1.875 8.586 836 HA LYS 42 HA LYS 42 16.374 -0.640 7.261 837 HB2 LYS 42 2HB LYS 42 18.880 -0.937 7.492 838 HB3 LYS 42 1HB LYS 42 18.311 0.303 6.418 839 HG2 LYS 42 2HG LYS 42 20.187 1.229 7.436 840 HG3 LYS 42 1HG LYS 42 18.858 1.939 8.317 841 HD2 LYS 42 2HD LYS 42 20.401 -0.466 9.306 842 HD3 LYS 42 1HD LYS 42 20.900 1.180 9.635 843 HE2 LYS 42 2HE LYS 42 18.786 1.560 10.823 844 HE3 LYS 42 1HE LYS 42 18.301 -0.099 10.476 845 HZ1 LYS 42 3HZ LYS 42 20.169 -0.890 11.745 846 HZ2 LYS 42 1HZ LYS 42 19.236 0.116 12.702 847 HZ3 LYS 42 2HZ LYS 42 20.701 0.663 12.071 848 H ARG 43 H ARG 43 15.646 0.190 10.138 849 HA ARG 43 HA ARG 43 16.577 -2.264 11.390 850 HE ARG 43 HE ARG 43 15.567 -2.650 16.071 851 HB2 ARG 43 2HB ARG 43 16.358 -0.118 12.711 852 HB3 ARG 43 1HB ARG 43 14.618 -0.207 12.472 853 HG2 ARG 43 2HG ARG 43 14.555 -2.330 13.671 854 HG3 ARG 43 1HG ARG 43 16.294 -2.261 13.901 855 HD2 ARG 43 2HD ARG 43 15.975 -0.142 15.170 856 HD3 ARG 43 1HD ARG 43 14.229 -0.375 15.019 857 HH11 ARG 43 1HH1 ARG 43 14.069 0.441 16.981 858 HH12 ARG 43 2HH1 ARG 43 13.907 0.020 18.614 859 HH21 ARG 43 1HH2 ARG 43 15.293 -3.223 18.324 860 HH22 ARG 43 2HH2 ARG 43 14.607 -2.087 19.397 861 H GLY 44 H GLY 44 14.095 -1.160 9.384 862 HA2 GLY 44 2HA GLY 44 12.905 -3.295 8.601 863 HA3 GLY 44 1HA GLY 44 12.241 -3.223 10.230 864 H LEU 45 H LEU 45 10.280 -2.689 9.955 865 HA LEU 45 HA LEU 45 9.538 -0.410 8.228 866 HG LEU 45 HG LEU 45 6.521 -0.707 8.901 867 HB2 LEU 45 2HB LEU 45 8.516 -2.534 7.579 868 HB3 LEU 45 1HB LEU 45 7.917 -2.764 9.205 869 HD11 LEU 45 1HD1 LEU 45 7.386 -0.967 6.050 870 HD12 LEU 45 2HD1 LEU 45 7.720 0.370 7.151 871 HD13 LEU 45 3HD1 LEU 45 6.065 0.045 6.637 872 HD21 LEU 45 3HD2 LEU 45 4.803 -1.792 7.540 873 HD22 LEU 45 1HD2 LEU 45 5.499 -2.937 8.673 874 HD23 LEU 45 2HD2 LEU 45 5.966 -2.975 6.976 875 H LYS 46 H LYS 46 8.412 1.284 9.205 876 HA LYS 46 HA LYS 46 7.233 0.668 11.758 877 HB2 LYS 46 2HB LYS 46 9.092 2.035 12.403 878 HB3 LYS 46 1HB LYS 46 8.740 3.226 11.162 879 HG2 LYS 46 2HG LYS 46 6.726 3.910 12.285 880 HG3 LYS 46 1HG LYS 46 6.859 2.578 13.429 881 HD2 LYS 46 2HD LYS 46 8.719 3.470 14.391 882 HD3 LYS 46 1HD LYS 46 8.893 4.781 13.178 883 HE2 LYS 46 2HE LYS 46 6.708 5.642 14.003 884 HE3 LYS 46 1HE LYS 46 6.685 4.358 15.213 885 HZ1 LYS 46 3HZ LYS 46 8.714 6.527 15.025 886 HZ2 LYS 46 1HZ LYS 46 8.702 5.289 16.168 887 HZ3 LYS 46 2HZ LYS 46 7.474 6.443 16.134 888 H VAL 47 H VAL 47 5.331 1.424 12.146 889 HA VAL 47 HA VAL 47 3.964 2.544 9.805 890 HB VAL 47 HB VAL 47 3.523 0.137 10.098 891 HG11 VAL 47 1HG1 VAL 47 2.368 0.968 12.750 892 HG12 VAL 47 2HG1 VAL 47 3.729 -0.111 12.486 893 HG13 VAL 47 3HG1 VAL 47 2.091 -0.609 12.030 894 HG21 VAL 47 3HG2 VAL 47 1.851 1.529 9.028 895 HG22 VAL 47 1HG2 VAL 47 1.154 1.942 10.592 896 HG23 VAL 47 2HG2 VAL 47 1.059 0.283 9.997 897 H CYS 48 H CYS 48 2.529 4.098 10.169 898 HA CYS 48 HA CYS 48 1.752 4.637 12.915 899 HB2 CYS 48 2HB CYS 48 2.786 6.547 10.884 900 HB3 CYS 48 1HB CYS 48 1.675 7.104 12.144 901 H ALA 49 H ALA 49 -0.267 5.058 13.244 902 HA ALA 49 HA ALA 49 -2.036 5.157 10.895 903 HB1 ALA 49 1HB ALA 49 -3.698 4.121 12.335 904 HB2 ALA 49 2HB ALA 49 -2.531 4.104 13.668 905 HB3 ALA 49 3HB ALA 49 -2.224 3.144 12.230 906 H ASP 50 H ASP 50 -3.043 7.063 10.744 907 HA ASP 50 HA ASP 50 -3.299 8.579 13.237 908 HB2 ASP 50 2HB ASP 50 -1.599 9.513 11.609 909 HB3 ASP 50 1HB ASP 50 -2.925 9.788 10.486 910 HA PRO 51 HA PRO 51 -7.471 7.911 11.905 911 HB2 PRO 51 2HB PRO 51 -8.657 8.624 14.204 912 HB3 PRO 51 1HB PRO 51 -7.846 7.070 14.005 913 HG2 PRO 51 2HG PRO 51 -6.915 9.532 15.393 914 HG3 PRO 51 1HG PRO 51 -6.667 7.833 15.830 915 HD2 PRO 51 2HD PRO 51 -4.795 9.427 14.577 916 HD3 PRO 51 1HD PRO 51 -4.817 7.653 14.523 917 H GLN 52 H GLN 52 -8.637 9.220 10.768 918 HA GLN 52 HA GLN 52 -9.504 11.042 9.847 919 HB2 GLN 52 2HB GLN 52 -10.404 11.362 12.691 920 HB3 GLN 52 1HB GLN 52 -11.170 12.074 11.275 921 HG2 GLN 52 2HG GLN 52 -11.644 9.824 10.394 922 HG3 GLN 52 1HG GLN 52 -10.876 9.101 11.770 923 HE21 GLN 52 1HE2 GLN 52 -13.665 8.970 10.842 924 HE22 GLN 52 2HE2 GLN 52 -14.619 9.467 12.189 925 H ALA 53 H ALA 53 -7.478 11.992 9.414 926 HA ALA 53 HA ALA 53 -6.399 14.061 11.102 927 HB1 ALA 53 1HB ALA 53 -4.749 14.295 9.300 928 HB2 ALA 53 2HB ALA 53 -5.720 13.243 8.275 929 HB3 ALA 53 3HB ALA 53 -4.973 12.599 9.735 930 H THR 54 H THR 54 -5.637 15.832 8.936 931 HA THR 54 HA THR 54 -7.763 17.649 8.895 932 HB THR 54 HB THR 54 -6.214 18.807 7.206 933 HG1 THR 54 1HG THR 54 -4.756 17.558 6.386 934 HG21 THR 54 3HG2 THR 54 -4.531 19.344 8.926 935 HG22 THR 54 1HG2 THR 54 -5.065 17.960 9.875 936 HG23 THR 54 2HG2 THR 54 -6.154 19.319 9.616 937 H TRP 55 H TRP 55 -7.711 18.601 6.146 938 HA TRP 55 HA TRP 55 -9.817 17.218 5.056 939 HD1 TRP 55 HD TRP 55 -11.618 18.594 3.299 940 HE1 TRP 55 1HE TRP 55 -12.233 18.169 0.827 941 HE3 TRP 55 3HE TRP 55 -6.914 18.230 1.350 942 HZ2 TRP 55 2HZ TRP 55 -10.891 17.733 -1.613 943 HZ3 TRP 55 3HZ TRP 55 -6.665 17.807 -1.056 944 HH2 TRP 55 HH TRP 55 -8.614 17.565 -2.506 945 HB2 TRP 55 2HB TRP 55 -9.248 19.500 4.381 946 HB3 TRP 55 1HB TRP 55 -7.795 18.913 3.579 947 H VAL 56 H VAL 56 -9.840 15.170 4.610 948 HA VAL 56 HA VAL 56 -7.611 13.913 3.255 949 HB VAL 56 HB VAL 56 -8.829 11.804 3.557 950 HG11 VAL 56 1HG1 VAL 56 -7.393 12.510 5.364 951 HG12 VAL 56 2HG1 VAL 56 -8.805 11.671 6.006 952 HG13 VAL 56 3HG1 VAL 56 -8.712 13.432 6.084 953 HG21 VAL 56 3HG2 VAL 56 -10.941 11.731 4.838 954 HG22 VAL 56 1HG2 VAL 56 -11.110 12.600 3.311 955 HG23 VAL 56 2HG2 VAL 56 -10.979 13.496 4.819 956 H ARG 57 H ARG 57 -8.151 12.522 1.333 957 HA ARG 57 HA ARG 57 -10.282 13.707 -0.226 958 HE ARG 57 HE ARG 57 -4.910 13.325 -3.003 959 HB2 ARG 57 2HB ARG 57 -8.801 14.259 -2.067 960 HB3 ARG 57 1HB ARG 57 -8.295 15.102 -0.614 961 HG2 ARG 57 2HG ARG 57 -6.571 13.286 -0.302 962 HG3 ARG 57 1HG ARG 57 -7.000 12.724 -1.918 963 HD2 ARG 57 2HD ARG 57 -6.542 15.102 -2.705 964 HD3 ARG 57 1HD ARG 57 -5.825 15.373 -1.128 965 HH11 ARG 57 1HH1 ARG 57 -4.142 15.768 -0.541 966 HH12 ARG 57 2HH1 ARG 57 -2.465 15.707 -0.797 967 HH21 ARG 57 1HH2 ARG 57 -2.614 13.205 -3.325 968 HH22 ARG 57 2HH2 ARG 57 -1.557 14.185 -2.407 969 H ASP 58 H ASP 58 -10.809 12.463 -2.089 970 HA ASP 58 HA ASP 58 -10.440 9.639 -1.593 971 HB2 ASP 58 2HB ASP 58 -12.136 9.292 -3.319 972 HB3 ASP 58 1HB ASP 58 -12.679 10.511 -2.174 973 H VAL 59 H VAL 59 -9.304 12.014 -3.839 974 HA VAL 59 HA VAL 59 -7.880 9.912 -5.282 975 HB VAL 59 HB VAL 59 -8.314 12.820 -6.085 976 HG11 VAL 59 1HG1 VAL 59 -7.030 10.584 -7.635 977 HG12 VAL 59 2HG1 VAL 59 -6.159 11.925 -6.889 978 HG13 VAL 59 3HG1 VAL 59 -7.296 12.225 -8.209 979 HG21 VAL 59 3HG2 VAL 59 -9.450 10.276 -7.217 980 HG22 VAL 59 1HG2 VAL 59 -9.700 11.888 -7.877 981 HG23 VAL 59 2HG2 VAL 59 -10.333 11.478 -6.280 982 H VAL 60 H VAL 60 -6.132 9.499 -4.117 983 HA VAL 60 HA VAL 60 -4.741 11.637 -2.824 984 HB VAL 60 HB VAL 60 -5.036 9.714 -1.445 985 HG11 VAL 60 1HG1 VAL 60 -3.684 8.089 -3.584 986 HG12 VAL 60 2HG1 VAL 60 -5.372 8.007 -3.095 987 HG13 VAL 60 3HG1 VAL 60 -4.114 7.509 -1.969 988 HG21 VAL 60 3HG2 VAL 60 -2.150 9.819 -2.328 989 HG22 VAL 60 1HG2 VAL 60 -2.727 9.124 -0.813 990 HG23 VAL 60 2HG2 VAL 60 -2.907 10.853 -1.120
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